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 2r6f_1_A DATA FIRST_RESID 2 DATA SEQUENCE DKIIVKGARA HNLKNIDVEI PRGKLVVLTG LSGSGKSSLA FDTIYAEGQR DATA SEQUENCE RYVESLSAYA RQFLGQXEKP DVDAIEGLSP AISIDQKTTS RNPRSTVGTV DATA SEQUENCE TEIYDYLRLL FARIGRPICP THGIEIQSQT IEQXVDRLLS YPERTKXQIL DATA SEQUENCE APXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXID DATA SEQUENCE VVVDRIIIKD GIAARLADSL ETALKLADGK VVVDVIGEGE LLFSEKHACP DATA SEQUENCE YCGFSIGELE PRLFSFNSPF GACPDCDGLG AKLEVDLDLV IPNDELTLKE DATA SEQUENCE HAIAPWEPXX XXYYPQLLEA VCRHYGIPXD VPVKDLPKEQ LDKILYGSGG DATA SEQUENCE EPIYFRYTND FGQVREQYIA FEGVIPNVER RYRETSSDYI REQXEKYXAE DATA SEQUENCE QPCPTCQGYR LKKESLAVLV GGKHIGEVTA XSVTEALAFF DGLELTEKEA DATA SEQUENCE QIARLILREI RDRLGFLQNV GLDYLTLSRS AGTLSGGEAQ RIRLATQIGS DATA SEQUENCE RLTGVLYVLD EPSIGLHQRD NDRLIATLKS XRDLGNTLIV VEHDEDTXLA DATA SEQUENCE ADYLIDIGPG AGIHGGEVVA AGTPEEVXND PNSLTGQYLS GKKFIPIPAE DATA SEQUENCE RRRPDGRWLE VVGAREHNLK NVSVKIPLGT FVAVTGVSGS GKSTLVNEVL DATA SEQUENCE YKALAQKLHR AKAKPGEHRD IRGLEHLDKV IDIDQSPIGR TPRSNPATYT DATA SEQUENCE GVFDDIRDVF ASTNEAKVRG YKKGRFSFNV KGGRCEACHG DGIIKIEXHF DATA SEQUENCE LPDVYVPCEV CHGKRYNRET LEVTYKGKNI AEVLDXTVED ALDFFASIPK DATA SEQUENCE IKRKLETLYD VGLGYXKLGQ PATTLSGGEA QRVKLAAELH RRSNGRTLYI DATA SEQUENCE LDEPTTGLHV DDIARLLDVL HRLVDNGDTV LVIEHNLDVI KTADYIIDLG DATA SEQUENCE PEGGDRGGQI VAVGTPEEVA EVKESHTGRY LKPILERDRA RXQARYEA 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.272 176.300 -0.046 0.000 2.045 2 D CA 0.000 53.981 54.000 -0.031 0.000 0.868 2 D CB 0.000 40.786 40.800 -0.024 0.000 0.688 3 K N -0.066 120.303 120.400 -0.053 0.000 2.578 3 K HA 0.488 4.804 4.320 -0.006 0.000 0.269 3 K C -1.519 175.040 176.600 -0.068 0.000 0.941 3 K CA -1.056 55.187 56.287 -0.075 0.000 0.847 3 K CB 1.939 34.385 32.500 -0.090 0.000 1.397 3 K HN 0.032 nan 8.250 nan 0.000 0.422 4 I N 3.994 124.516 120.570 -0.081 0.000 2.297 4 I HA 0.356 4.522 4.170 -0.006 0.000 0.291 4 I C -1.070 175.007 176.117 -0.067 0.000 1.033 4 I CA -0.978 60.282 61.300 -0.067 0.000 1.253 4 I CB 0.351 38.311 38.000 -0.067 0.000 1.396 4 I HN 0.570 nan 8.210 nan 0.000 0.476 5 I N 7.951 128.491 120.570 -0.050 0.000 2.354 5 I HA 0.308 4.475 4.170 -0.006 0.000 0.292 5 I C -0.509 175.590 176.117 -0.031 0.000 0.989 5 I CA -0.741 60.534 61.300 -0.041 0.000 1.188 5 I CB 1.883 39.863 38.000 -0.033 0.000 1.342 5 I HN 0.321 nan 8.210 nan 0.000 0.457 6 V N 7.564 127.462 119.914 -0.026 0.000 2.409 6 V HA 0.431 4.548 4.120 -0.006 0.000 0.291 6 V C -0.569 175.519 176.094 -0.011 0.000 1.020 6 V CA -0.468 61.821 62.300 -0.017 0.000 0.848 6 V CB 1.365 33.178 31.823 -0.015 0.000 0.990 6 V HN 0.560 nan 8.190 nan 0.000 0.430 7 K N 5.060 125.454 120.400 -0.009 0.000 2.316 7 K HA 0.531 4.848 4.320 -0.006 0.000 0.267 7 K C 0.509 177.106 176.600 -0.004 0.000 1.025 7 K CA 0.203 56.486 56.287 -0.006 0.000 0.896 7 K CB 1.168 33.663 32.500 -0.007 0.000 1.124 7 K HN 1.313 nan 8.250 nan 0.000 0.451 8 G N 2.178 110.978 108.800 -0.001 0.000 2.353 8 G HA2 -0.236 3.720 3.960 -0.006 0.000 0.294 8 G HA3 -0.236 3.720 3.960 -0.006 0.000 0.294 8 G C 0.082 174.981 174.900 -0.000 0.000 1.077 8 G CA 0.118 45.218 45.100 0.000 0.000 1.098 8 G HN 0.748 nan 8.290 nan 0.000 0.511 9 A N 0.360 123.181 122.820 0.003 0.000 2.363 9 A HA 0.788 5.105 4.320 -0.006 0.000 0.270 9 A C 1.142 178.729 177.584 0.005 0.000 1.121 9 A CA 0.005 52.044 52.037 0.003 0.000 0.800 9 A CB 0.462 19.468 19.000 0.010 0.000 1.052 9 A HN 0.700 nan 8.150 nan 0.000 0.493 10 R N 2.227 122.725 120.500 -0.002 0.000 2.566 10 R HA 0.260 4.597 4.340 -0.006 0.000 0.388 10 R C 1.561 177.850 176.300 -0.018 0.000 0.989 10 R CA 0.393 56.492 56.100 -0.002 0.000 1.164 10 R CB 0.232 30.529 30.300 -0.005 0.000 1.459 10 R HN 0.857 nan 8.270 nan 0.000 0.553 11 A N 1.347 124.149 122.820 -0.030 0.000 1.900 11 A HA -0.342 3.975 4.320 -0.006 0.000 0.250 11 A C 1.285 178.738 177.584 -0.219 0.000 2.132 11 A CA 2.462 54.437 52.037 -0.104 0.000 0.861 11 A CB -0.566 18.423 19.000 -0.018 0.000 0.830 11 A HN 0.523 nan 8.150 nan 0.000 0.499 12 H N -2.433 116.662 119.070 0.042 0.000 2.269 12 H HA 0.124 4.677 4.556 -0.006 0.000 0.216 12 H C 1.453 176.803 175.328 0.037 0.000 0.985 12 H CA 0.370 56.444 56.048 0.043 0.000 1.274 12 H CB 0.088 29.881 29.762 0.052 0.000 1.283 12 H HN 0.663 nan 8.280 nan 0.000 0.491 13 N N 1.360 120.174 118.700 0.191 0.000 2.203 13 N HA 0.055 4.791 4.740 -0.006 0.000 0.207 13 N C -0.585 174.966 175.510 0.069 0.000 1.130 13 N CA -0.018 53.095 53.050 0.105 0.000 0.861 13 N CB 0.030 38.570 38.487 0.089 0.000 1.005 13 N HN 0.221 nan 8.380 nan 0.000 0.507 14 L N 1.091 122.355 121.223 0.068 0.000 2.462 14 L HA 0.148 4.485 4.340 -0.006 0.000 0.272 14 L C 0.585 177.473 176.870 0.030 0.000 1.166 14 L CA -0.080 54.787 54.840 0.044 0.000 0.880 14 L CB 0.508 42.593 42.059 0.042 0.000 1.142 14 L HN -0.108 nan 8.230 nan 0.000 0.473 15 K N 3.721 124.135 120.400 0.023 0.000 2.751 15 K HA 0.031 4.348 4.320 -0.006 0.000 0.252 15 K C 0.232 176.839 176.600 0.012 0.000 1.277 15 K CA -0.321 55.976 56.287 0.016 0.000 1.226 15 K CB -0.635 31.873 32.500 0.012 0.000 1.658 15 K HN 0.531 nan 8.250 nan 0.000 0.303 16 N N 1.686 120.393 118.700 0.011 0.000 2.686 16 N HA -0.211 4.526 4.740 -0.006 0.000 0.261 16 N C -0.390 175.125 175.510 0.009 0.000 1.001 16 N CA 0.388 53.443 53.050 0.008 0.000 0.764 16 N CB -1.209 37.281 38.487 0.005 0.000 0.898 16 N HN 0.661 nan 8.380 nan 0.000 0.544 17 I N -2.561 118.016 120.570 0.011 0.000 2.499 17 I HA 0.557 4.724 4.170 -0.006 0.000 0.296 17 I C -0.192 175.931 176.117 0.010 0.000 0.992 17 I CA -0.743 60.565 61.300 0.013 0.000 1.297 17 I CB 1.255 39.265 38.000 0.017 0.000 1.410 17 I HN -0.087 nan 8.210 nan 0.000 0.507 18 D N 4.651 125.058 120.400 0.011 0.000 2.185 18 D HA 0.687 5.324 4.640 -0.006 0.000 0.247 18 D C -0.777 175.530 176.300 0.013 0.000 1.027 18 D CA -0.214 53.791 54.000 0.008 0.000 0.861 18 D CB 2.465 43.269 40.800 0.007 0.000 1.202 18 D HN 0.535 nan 8.370 nan 0.000 0.453 19 V N 0.589 120.507 119.914 0.007 0.000 2.924 19 V HA 0.337 4.454 4.120 -0.006 0.000 0.300 19 V C -1.722 174.363 176.094 -0.015 0.000 1.227 19 V CA -0.600 61.706 62.300 0.011 0.000 0.954 19 V CB 2.059 33.895 31.823 0.022 0.000 1.055 19 V HN 0.484 nan 8.190 nan 0.000 0.429 20 E N 6.026 126.210 120.200 -0.026 0.000 2.151 20 E HA 0.601 4.948 4.350 -0.006 0.000 0.275 20 E C -1.037 175.440 176.600 -0.204 0.000 0.936 20 E CA -0.564 55.783 56.400 -0.088 0.000 0.777 20 E CB 2.374 32.031 29.700 -0.073 0.000 1.108 20 E HN 0.645 nan 8.360 nan 0.000 0.401 21 I N 4.851 125.284 120.570 -0.229 0.000 2.406 21 I HA 0.285 4.452 4.170 -0.006 0.000 0.290 21 I C -2.217 173.700 176.117 -0.332 0.000 0.999 21 I CA -2.595 58.507 61.300 -0.331 0.000 1.124 21 I CB 1.793 39.690 38.000 -0.172 0.000 1.289 21 I HN 0.225 nan 8.210 nan 0.000 0.441 22 P HA 0.118 nan 4.420 nan 0.000 0.271 22 P C -0.690 176.521 177.300 -0.148 0.000 1.216 22 P CA -0.389 62.551 63.100 -0.267 0.000 0.771 22 P CB 0.862 32.415 31.700 -0.244 0.000 0.864 23 R N 2.306 122.745 120.500 -0.100 0.000 2.582 23 R HA 0.447 4.784 4.340 -0.006 0.000 0.271 23 R C 1.297 177.570 176.300 -0.045 0.000 1.078 23 R CA 0.948 57.007 56.100 -0.068 0.000 1.127 23 R CB -0.688 29.579 30.300 -0.057 0.000 1.038 23 R HN 0.776 nan 8.270 nan 0.000 0.500 24 G N 2.070 110.850 108.800 -0.033 0.000 2.283 24 G HA2 -0.321 3.635 3.960 -0.006 0.000 0.280 24 G HA3 -0.321 3.635 3.960 -0.006 0.000 0.280 24 G C -0.463 174.435 174.900 -0.003 0.000 1.029 24 G CA 1.062 46.153 45.100 -0.016 0.000 0.840 24 G HN 0.511 nan 8.290 nan 0.000 0.505 25 K N -1.405 118.993 120.400 -0.003 0.000 2.439 25 K HA 0.590 4.907 4.320 -0.006 0.000 0.260 25 K C -0.417 176.197 176.600 0.023 0.000 1.032 25 K CA -1.160 55.136 56.287 0.015 0.000 0.882 25 K CB 1.817 34.331 32.500 0.024 0.000 1.420 25 K HN 0.034 nan 8.250 nan 0.000 0.455 26 L N 3.037 124.282 121.223 0.037 0.000 2.356 26 L HA 0.221 4.558 4.340 -0.006 0.000 0.282 26 L C -1.061 175.844 176.870 0.059 0.000 1.132 26 L CA -0.591 54.272 54.840 0.038 0.000 0.923 26 L CB 0.342 42.420 42.059 0.031 0.000 1.278 26 L HN 0.264 nan 8.230 nan 0.000 0.436 27 V N 5.120 125.067 119.914 0.056 0.000 2.465 27 V HA 0.251 4.368 4.120 -0.006 0.000 0.279 27 V C 0.165 176.294 176.094 0.059 0.000 1.045 27 V CA -0.479 61.877 62.300 0.094 0.000 0.938 27 V CB 1.704 33.566 31.823 0.066 0.000 0.986 27 V HN 0.361 nan 8.190 nan 0.000 0.467 28 V N 6.603 126.557 119.914 0.066 0.000 2.376 28 V HA 0.388 4.505 4.120 -0.006 0.000 0.287 28 V C -0.103 176.002 176.094 0.018 0.000 1.015 28 V CA -0.456 61.858 62.300 0.024 0.000 0.834 28 V CB 1.510 33.339 31.823 0.009 0.000 1.001 28 V HN 0.643 nan 8.190 nan 0.000 0.428 29 L N 4.406 125.629 121.223 -0.000 0.000 2.319 29 L HA 0.557 4.894 4.340 -0.006 0.000 0.280 29 L C 0.484 177.324 176.870 -0.050 0.000 1.099 29 L CA 0.627 55.463 54.840 -0.006 0.000 0.828 29 L CB 1.476 43.533 42.059 -0.003 0.000 1.150 29 L HN 0.723 nan 8.230 nan 0.000 0.442 30 T N 1.735 116.266 114.554 -0.038 0.000 2.865 30 T HA 0.891 5.238 4.350 -0.006 0.000 0.294 30 T C -0.504 174.184 174.700 -0.021 0.000 1.119 30 T CA 0.102 62.168 62.100 -0.058 0.000 1.007 30 T CB 1.936 70.801 68.868 -0.005 0.000 1.225 30 T HN 0.901 nan 8.240 nan 0.000 0.515 31 G N 0.809 109.616 108.800 0.012 0.000 2.368 31 G HA2 0.273 4.230 3.960 -0.006 0.000 0.302 31 G HA3 0.273 4.230 3.960 -0.006 0.000 0.302 31 G C -1.537 173.283 174.900 -0.133 0.000 1.329 31 G CA -0.822 44.208 45.100 -0.117 0.000 0.935 31 G HN 0.836 nan 8.290 nan 0.000 0.590 32 L N 0.461 121.518 121.223 -0.276 0.000 2.479 32 L HA 0.431 4.767 4.340 -0.006 0.000 0.270 32 L C 1.593 178.418 176.870 -0.074 0.000 1.236 32 L CA -0.005 54.725 54.840 -0.183 0.000 0.823 32 L CB 0.898 42.837 42.059 -0.199 0.000 1.098 32 L HN 0.644 nan 8.230 nan 0.000 0.500 33 S N 0.439 116.089 115.700 -0.083 0.000 2.516 33 S HA 0.327 4.794 4.470 -0.006 0.000 0.282 33 S C 0.890 175.210 174.600 -0.467 0.000 1.286 33 S CA 0.227 58.339 58.200 -0.146 0.000 1.066 33 S CB 0.117 63.277 63.200 -0.066 0.000 0.884 33 S HN 0.953 nan 8.310 nan 0.000 0.491 34 G N 3.332 111.782 108.800 -0.583 0.000 2.143 34 G HA2 -0.313 3.643 3.960 -0.006 0.000 0.249 34 G HA3 -0.313 3.643 3.960 -0.006 0.000 0.249 34 G C 0.938 175.569 174.900 -0.448 0.000 0.981 34 G CA 0.881 45.416 45.100 -0.942 0.000 0.665 34 G HN 1.373 nan 8.290 nan 0.000 0.528 35 S N -1.035 114.517 115.700 -0.247 0.000 2.387 35 S HA 0.383 4.850 4.470 -0.006 0.000 0.226 35 S C 1.988 176.550 174.600 -0.063 0.000 1.026 35 S CA 1.597 59.721 58.200 -0.127 0.000 0.972 35 S CB 0.166 63.308 63.200 -0.097 0.000 0.814 35 S HN 2.280 nan 8.310 nan 0.000 0.477 36 G N 0.643 109.416 108.800 -0.044 0.000 2.363 36 G HA2 -0.068 3.888 3.960 -0.006 0.000 0.213 36 G HA3 -0.068 3.888 3.960 -0.006 0.000 0.213 36 G C 0.491 175.420 174.900 0.048 0.000 1.028 36 G CA 0.037 45.147 45.100 0.017 0.000 0.822 36 G HN 0.400 nan 8.290 nan 0.000 0.536 37 K N 0.566 120.992 120.400 0.044 0.000 2.001 37 K HA 0.018 4.335 4.320 -0.006 0.000 0.208 37 K C 2.517 179.202 176.600 0.142 0.000 1.048 37 K CA 1.672 58.001 56.287 0.070 0.000 0.932 37 K CB -0.196 32.338 32.500 0.056 0.000 0.715 37 K HN 0.223 nan 8.250 nan 0.000 0.437 38 S N 1.168 116.982 115.700 0.190 0.000 2.383 38 S HA -0.088 4.379 4.470 -0.006 0.000 0.227 38 S C 2.110 176.885 174.600 0.292 0.000 1.026 38 S CA 1.245 59.642 58.200 0.328 0.000 0.981 38 S CB -0.174 63.151 63.200 0.208 0.000 0.818 38 S HN 0.201 nan 8.310 nan 0.000 0.472 39 S N 1.627 117.459 115.700 0.221 0.000 2.387 39 S HA -0.039 4.427 4.470 -0.006 0.000 0.230 39 S C 1.696 176.396 174.600 0.167 0.000 1.035 39 S CA 0.968 59.316 58.200 0.246 0.000 1.014 39 S CB -0.322 63.028 63.200 0.250 0.000 0.836 39 S HN 0.391 nan 8.310 nan 0.000 0.466 40 L N 0.508 121.807 121.223 0.127 0.000 2.121 40 L HA 0.092 4.429 4.340 -0.006 0.000 0.200 40 L C 2.610 179.516 176.870 0.060 0.000 1.077 40 L CA 1.079 55.965 54.840 0.077 0.000 0.766 40 L CB -0.810 41.279 42.059 0.050 0.000 0.931 40 L HN 0.343 nan 8.230 nan 0.000 0.452 41 A N 0.011 122.856 122.820 0.042 0.000 1.865 41 A HA -0.251 4.065 4.320 -0.006 0.000 0.217 41 A C 1.835 179.315 177.584 -0.172 0.000 1.191 41 A CA 2.075 54.047 52.037 -0.108 0.000 0.623 41 A CB -0.839 18.051 19.000 -0.184 0.000 0.826 41 A HN 0.465 nan 8.150 nan 0.000 0.444 42 F N -0.531 119.494 119.950 0.125 0.000 2.315 42 F HA 0.080 4.604 4.527 -0.006 0.000 0.284 42 F C 1.687 177.637 175.800 0.250 0.000 1.049 42 F CA 0.851 58.975 58.000 0.207 0.000 1.323 42 F CB -0.153 38.926 39.000 0.133 0.000 1.113 42 F HN 0.107 nan 8.300 nan 0.000 0.544 43 D N -0.799 119.823 120.400 0.370 0.000 2.363 43 D HA -0.017 4.620 4.640 -0.006 0.000 0.220 43 D C 1.547 177.924 176.300 0.129 0.000 0.994 43 D CA 1.020 55.165 54.000 0.241 0.000 0.890 43 D CB -0.083 40.854 40.800 0.229 0.000 0.906 43 D HN 0.253 nan 8.370 nan 0.000 0.530 44 T N -0.681 113.941 114.554 0.114 0.000 3.272 44 T HA 0.229 4.575 4.350 -0.006 0.000 0.247 44 T C 2.075 176.791 174.700 0.026 0.000 0.990 44 T CA -0.282 61.846 62.100 0.048 0.000 1.213 44 T CB 0.316 69.206 68.868 0.036 0.000 1.124 44 T HN -0.064 nan 8.240 nan 0.000 0.401 45 I N 0.705 121.293 120.570 0.030 0.000 2.133 45 I HA -0.109 4.058 4.170 -0.006 0.000 0.238 45 I C 2.336 178.467 176.117 0.022 0.000 1.074 45 I CA 1.646 62.949 61.300 0.006 0.000 1.342 45 I CB -0.357 37.633 38.000 -0.017 0.000 1.053 45 I HN 0.289 nan 8.210 nan 0.000 0.404 46 Y N 1.899 122.162 120.300 -0.063 0.000 2.145 46 Y HA -0.292 4.255 4.550 -0.006 0.000 0.286 46 Y C 2.564 178.478 175.900 0.022 0.000 1.145 46 Y CA 1.581 59.658 58.100 -0.039 0.000 1.148 46 Y CB -0.274 38.158 38.460 -0.047 0.000 0.981 46 Y HN 0.118 nan 8.280 nan 0.000 0.507 47 A N 0.717 123.398 122.820 -0.232 0.000 1.892 47 A HA -0.245 4.072 4.320 -0.006 0.000 0.218 47 A C 2.114 179.560 177.584 -0.230 0.000 1.188 47 A CA 2.127 53.994 52.037 -0.283 0.000 0.631 47 A CB -0.727 18.241 19.000 -0.053 0.000 0.822 47 A HN 0.604 nan 8.150 nan 0.000 0.447 48 E N -0.783 119.339 120.200 -0.130 0.000 2.072 48 E HA -0.103 4.244 4.350 -0.006 0.000 0.191 48 E C 2.257 178.805 176.600 -0.086 0.000 0.985 48 E CA 1.052 57.401 56.400 -0.085 0.000 0.801 48 E CB -0.648 29.023 29.700 -0.049 0.000 0.750 48 E HN 0.588 nan 8.360 nan 0.000 0.452 49 G N 1.263 110.001 108.800 -0.102 0.000 2.418 49 G HA2 -0.327 3.629 3.960 -0.006 0.000 0.217 49 G HA3 -0.327 3.629 3.960 -0.006 0.000 0.217 49 G C 1.526 176.385 174.900 -0.069 0.000 1.158 49 G CA 0.933 45.992 45.100 -0.068 0.000 0.771 49 G HN 0.268 nan 8.290 nan 0.000 0.545 50 Q N -0.075 119.617 119.800 -0.181 0.000 2.016 50 Q HA -0.078 4.259 4.340 -0.006 0.000 0.200 50 Q C 2.612 178.601 176.000 -0.018 0.000 0.978 50 Q CA 1.223 56.952 55.803 -0.122 0.000 0.833 50 Q CB -0.227 28.336 28.738 -0.291 0.000 0.895 50 Q HN 0.454 nan 8.270 nan 0.000 0.427 51 R N 0.142 120.602 120.500 -0.066 0.000 2.097 51 R HA -0.175 4.162 4.340 -0.006 0.000 0.236 51 R C 2.382 178.692 176.300 0.016 0.000 1.135 51 R CA 2.024 58.114 56.100 -0.017 0.000 0.934 51 R CB -0.185 30.092 30.300 -0.037 0.000 0.846 51 R HN 0.253 nan 8.270 nan 0.000 0.431 52 R N -1.112 119.393 120.500 0.009 0.000 2.185 52 R HA -0.239 4.098 4.340 -0.006 0.000 0.247 52 R C 2.125 178.453 176.300 0.047 0.000 1.159 52 R CA 1.982 58.093 56.100 0.018 0.000 0.988 52 R CB -0.397 29.911 30.300 0.013 0.000 0.871 52 R HN 0.429 nan 8.270 nan 0.000 0.458 53 Y N 0.311 120.591 120.300 -0.033 0.000 2.177 53 Y HA -0.103 4.443 4.550 -0.006 0.000 0.291 53 Y C 2.163 178.058 175.900 -0.009 0.000 1.117 53 Y CA 0.986 59.073 58.100 -0.022 0.000 1.114 53 Y CB -0.203 38.243 38.460 -0.025 0.000 1.017 53 Y HN -0.277 nan 8.280 nan 0.000 0.505 54 V N 1.122 121.144 119.914 0.179 0.000 2.392 54 V HA -0.318 3.799 4.120 -0.006 0.000 0.249 54 V C 2.194 178.284 176.094 -0.006 0.000 1.059 54 V CA 2.309 64.666 62.300 0.095 0.000 1.051 54 V CB -0.744 31.164 31.823 0.142 0.000 0.658 54 V HN 0.496 nan 8.190 nan 0.000 0.455 55 E N -0.092 120.103 120.200 -0.009 0.000 2.333 55 E HA -0.168 4.179 4.350 -0.006 0.000 0.198 55 E C 1.806 178.369 176.600 -0.060 0.000 1.007 55 E CA 1.223 57.609 56.400 -0.023 0.000 0.845 55 E CB 0.030 29.720 29.700 -0.017 0.000 0.766 55 E HN 0.625 nan 8.360 nan 0.000 0.507 56 S N -0.430 115.194 115.700 -0.127 0.000 2.539 56 S HA 0.176 4.643 4.470 -0.006 0.000 0.221 56 S C 1.459 175.949 174.600 -0.184 0.000 0.987 56 S CA -0.384 57.722 58.200 -0.157 0.000 0.929 56 S CB 0.287 63.367 63.200 -0.201 0.000 0.832 56 S HN 0.231 nan 8.310 nan 0.000 0.492 57 L N 1.808 122.920 121.223 -0.184 0.000 2.191 57 L HA 0.006 4.342 4.340 -0.006 0.000 0.212 57 L C 1.207 178.043 176.870 -0.057 0.000 1.103 57 L CA 0.702 55.459 54.840 -0.139 0.000 0.769 57 L CB -0.245 41.769 42.059 -0.076 0.000 0.908 57 L HN 0.390 nan 8.230 nan 0.000 0.438 58 S N -3.409 112.276 115.700 -0.025 0.000 2.683 58 S HA 0.593 5.060 4.470 -0.006 0.000 0.270 58 S C 0.223 174.837 174.600 0.025 0.000 1.168 58 S CA -0.324 57.884 58.200 0.013 0.000 0.824 58 S CB 1.388 64.622 63.200 0.057 0.000 1.157 58 S HN -0.096 nan 8.310 nan 0.000 0.484 59 A N 0.373 123.223 122.820 0.050 0.000 1.855 59 A HA 0.105 4.422 4.320 -0.006 0.000 0.213 59 A C 1.884 179.518 177.584 0.084 0.000 1.195 59 A CA 1.512 53.581 52.037 0.053 0.000 0.610 59 A CB -1.565 17.469 19.000 0.058 0.000 0.837 59 A HN 1.103 nan 8.150 nan 0.000 0.444 60 Y N 0.877 121.186 120.300 0.014 0.000 2.207 60 Y HA -0.144 4.402 4.550 -0.006 0.000 0.287 60 Y C 2.541 178.478 175.900 0.062 0.000 1.156 60 Y CA 1.303 59.423 58.100 0.033 0.000 1.182 60 Y CB -0.303 38.158 38.460 0.002 0.000 0.979 60 Y HN 0.321 nan 8.280 nan 0.000 0.521 61 A N 0.572 123.410 122.820 0.030 0.000 1.908 61 A HA -0.237 4.079 4.320 -0.006 0.000 0.218 61 A C 2.347 179.907 177.584 -0.040 0.000 1.181 61 A CA 1.917 53.946 52.037 -0.014 0.000 0.627 61 A CB -0.791 18.235 19.000 0.044 0.000 0.818 61 A HN 0.567 nan 8.150 nan 0.000 0.445 62 R N -0.775 119.703 120.500 -0.036 0.000 2.075 62 R HA -0.148 4.189 4.340 -0.006 0.000 0.232 62 R C 2.477 178.747 176.300 -0.051 0.000 1.126 62 R CA 1.601 57.681 56.100 -0.033 0.000 0.963 62 R CB -0.303 29.981 30.300 -0.026 0.000 0.858 62 R HN 0.730 nan 8.270 nan 0.000 0.435 63 Q N -0.631 119.123 119.800 -0.077 0.000 2.124 63 Q HA -0.209 4.128 4.340 -0.006 0.000 0.202 63 Q C 1.704 177.638 176.000 -0.110 0.000 0.977 63 Q CA 1.641 57.393 55.803 -0.085 0.000 0.850 63 Q CB -0.074 28.621 28.738 -0.071 0.000 0.901 63 Q HN 0.377 nan 8.270 nan 0.000 0.429 64 F N 0.157 119.887 119.950 -0.365 0.000 2.118 64 F HA -0.081 4.443 4.527 -0.005 0.000 0.293 64 F C 1.812 177.509 175.800 -0.171 0.000 1.102 64 F CA 1.038 58.841 58.000 -0.329 0.000 1.247 64 F CB 0.047 38.740 39.000 -0.511 0.000 1.017 64 F HN 0.013 nan 8.300 nan 0.000 0.475 65 L N -0.463 120.787 121.223 0.044 0.000 2.109 65 L HA -0.067 4.270 4.340 -0.006 0.000 0.207 65 L C 2.727 179.561 176.870 -0.060 0.000 1.086 65 L CA 1.167 56.006 54.840 -0.000 0.000 0.760 65 L CB -1.375 40.713 42.059 0.048 0.000 0.910 65 L HN 0.308 nan 8.230 nan 0.000 0.437 66 G N -0.955 107.811 108.800 -0.058 0.000 2.450 66 G HA2 -0.230 3.727 3.960 -0.006 0.000 0.220 66 G HA3 -0.230 3.727 3.960 -0.006 0.000 0.220 66 G C 0.963 175.818 174.900 -0.075 0.000 1.130 66 G CA 0.133 45.198 45.100 -0.058 0.000 0.760 66 G HN 0.311 nan 8.290 nan 0.000 0.557 70 K N 3.848 124.230 120.400 -0.031 0.000 2.126 70 K HA 0.553 4.869 4.320 -0.006 0.000 0.257 70 K C -2.123 174.461 176.600 -0.028 0.000 1.007 70 K CA -1.786 54.484 56.287 -0.029 0.000 0.928 70 K CB 0.290 32.772 32.500 -0.030 0.000 1.013 70 K HN 0.282 nan 8.250 nan 0.000 0.473 71 P HA -0.041 nan 4.420 nan 0.000 0.269 71 P C -0.842 176.439 177.300 -0.033 0.000 1.215 71 P CA -0.186 62.895 63.100 -0.031 0.000 0.780 71 P CB 0.377 32.063 31.700 -0.023 0.000 0.898 72 D N 1.746 122.121 120.400 -0.042 0.000 2.435 72 D HA 0.224 4.860 4.640 -0.006 0.000 0.230 72 D C -1.082 175.203 176.300 -0.024 0.000 1.215 72 D CA 0.287 54.267 54.000 -0.034 0.000 0.947 72 D CB -0.412 40.362 40.800 -0.044 0.000 1.048 72 D HN -0.075 nan 8.370 nan 0.000 0.512 73 V N 3.649 123.552 119.914 -0.019 0.000 2.851 73 V HA 0.124 4.241 4.120 -0.006 0.000 0.307 73 V C 0.706 176.792 176.094 -0.013 0.000 1.129 73 V CA -0.870 61.421 62.300 -0.014 0.000 0.932 73 V CB 2.256 34.071 31.823 -0.014 0.000 1.024 73 V HN 0.231 nan 8.190 nan 0.000 0.426 74 D N 2.163 122.557 120.400 -0.010 0.000 2.077 74 D HA 0.213 4.849 4.640 -0.006 0.000 0.196 74 D C 0.609 176.902 176.300 -0.011 0.000 0.986 74 D CA 1.981 55.975 54.000 -0.009 0.000 0.829 74 D CB 0.397 41.193 40.800 -0.007 0.000 0.983 74 D HN 0.803 nan 8.370 nan 0.000 0.453 75 A N -0.428 122.386 122.820 -0.011 0.000 2.589 75 A HA 0.626 4.943 4.320 -0.006 0.000 0.296 75 A C -1.558 176.018 177.584 -0.014 0.000 1.062 75 A CA -0.589 51.441 52.037 -0.013 0.000 0.686 75 A CB 1.561 20.555 19.000 -0.011 0.000 1.282 75 A HN 0.127 nan 8.150 nan 0.000 0.404 76 I N 1.387 121.948 120.570 -0.016 0.000 2.576 76 I HA 0.394 4.560 4.170 -0.006 0.000 0.279 76 I C -1.016 175.089 176.117 -0.021 0.000 1.114 76 I CA 0.030 61.318 61.300 -0.019 0.000 1.076 76 I CB 0.954 38.942 38.000 -0.020 0.000 1.212 76 I HN 0.788 nan 8.210 nan 0.000 0.472 77 E N 4.716 124.903 120.200 -0.021 0.000 2.231 77 E HA 0.665 5.011 4.350 -0.006 0.000 0.277 77 E C 0.608 177.192 176.600 -0.026 0.000 0.999 77 E CA 0.092 56.480 56.400 -0.021 0.000 0.827 77 E CB 1.609 31.297 29.700 -0.019 0.000 1.101 77 E HN 0.833 nan 8.360 nan 0.000 0.393 78 G N 2.148 110.933 108.800 -0.025 0.000 2.134 78 G HA2 -0.236 3.721 3.960 -0.006 0.000 0.209 78 G HA3 -0.236 3.721 3.960 -0.006 0.000 0.209 78 G C 0.102 174.982 174.900 -0.033 0.000 0.993 78 G CA -0.452 44.630 45.100 -0.030 0.000 0.669 78 G HN 0.376 nan 8.290 nan 0.000 0.519 79 L N 0.598 121.803 121.223 -0.029 0.000 2.476 79 L HA 0.556 4.892 4.340 -0.006 0.000 0.264 79 L C 0.755 177.607 176.870 -0.031 0.000 1.224 79 L CA 0.265 55.087 54.840 -0.031 0.000 0.821 79 L CB 1.037 43.081 42.059 -0.025 0.000 1.101 79 L HN 0.241 nan 8.230 nan 0.000 0.488 80 S N 0.187 115.862 115.700 -0.041 0.000 2.564 80 S HA 0.423 4.889 4.470 -0.006 0.000 0.274 80 S C -2.571 171.991 174.600 -0.064 0.000 1.124 80 S CA -1.037 57.131 58.200 -0.052 0.000 0.869 80 S CB 2.075 65.227 63.200 -0.080 0.000 1.105 80 S HN 0.323 nan 8.310 nan 0.000 0.472 81 P HA 0.188 nan 4.420 nan 0.000 0.260 81 P C -1.168 176.041 177.300 -0.151 0.000 1.172 81 P CA 0.228 63.248 63.100 -0.132 0.000 0.760 81 P CB 0.107 31.617 31.700 -0.317 0.000 0.773 82 A N 4.339 127.116 122.820 -0.071 0.000 2.312 82 A HA 0.744 5.061 4.320 -0.006 0.000 0.328 82 A C -0.373 177.300 177.584 0.150 0.000 1.158 82 A CA -0.631 51.426 52.037 0.034 0.000 0.821 82 A CB 0.564 19.672 19.000 0.181 0.000 1.170 82 A HN 0.489 nan 8.150 nan 0.000 0.490 83 I N 1.653 122.293 120.570 0.117 0.000 2.534 83 I HA 0.286 4.453 4.170 -0.006 0.000 0.288 83 I C 0.082 176.239 176.117 0.066 0.000 1.077 83 I CA -0.371 61.020 61.300 0.152 0.000 1.051 83 I CB 2.422 40.483 38.000 0.101 0.000 1.234 83 I HN 0.707 nan 8.210 nan 0.000 0.425 84 S N 6.604 122.230 115.700 -0.123 0.000 2.541 84 S HA 0.710 5.176 4.470 -0.006 0.000 0.283 84 S C -0.530 174.067 174.600 -0.004 0.000 1.196 84 S CA -0.663 57.398 58.200 -0.232 0.000 1.062 84 S CB 1.698 64.523 63.200 -0.624 0.000 1.009 84 S HN 0.504 nan 8.310 nan 0.000 0.502 85 I N 3.461 124.068 120.570 0.061 0.000 2.502 85 I HA 0.362 4.528 4.170 -0.006 0.000 0.276 85 I C -1.019 175.129 176.117 0.052 0.000 1.057 85 I CA -0.335 60.989 61.300 0.039 0.000 1.163 85 I CB 0.442 38.443 38.000 0.001 0.000 1.288 85 I HN 0.807 nan 8.210 nan 0.000 0.479 86 D N 2.971 123.372 120.400 0.001 0.000 2.798 86 D HA 0.209 4.846 4.640 -0.006 0.000 0.308 86 D C 0.184 176.456 176.300 -0.047 0.000 1.187 86 D CA -0.598 53.370 54.000 -0.054 0.000 1.033 86 D CB 0.770 41.450 40.800 -0.200 0.000 1.445 86 D HN 0.219 nan 8.370 nan 0.000 0.550 87 Q N -0.886 118.876 119.800 -0.063 0.000 2.269 87 Q HA 0.041 4.378 4.340 -0.006 0.000 0.201 87 Q C 1.110 177.093 176.000 -0.028 0.000 0.946 87 Q CA 0.694 56.475 55.803 -0.036 0.000 0.877 87 Q CB 0.051 28.768 28.738 -0.035 0.000 0.963 87 Q HN 0.220 nan 8.270 nan 0.000 0.472 88 K N 0.192 120.564 120.400 -0.047 0.000 2.280 88 K HA -0.073 4.244 4.320 -0.006 0.000 0.202 88 K C 1.576 178.182 176.600 0.011 0.000 1.047 88 K CA 1.120 57.395 56.287 -0.019 0.000 0.942 88 K CB -0.044 32.436 32.500 -0.034 0.000 0.739 88 K HN -0.005 nan 8.250 nan 0.000 0.457 89 T N 0.406 114.967 114.554 0.012 0.000 3.228 89 T HA 0.084 4.431 4.350 -0.006 0.000 0.278 89 T C -0.514 174.207 174.700 0.034 0.000 1.014 89 T CA -0.393 61.729 62.100 0.037 0.000 0.904 89 T CB -0.189 68.709 68.868 0.051 0.000 1.110 89 T HN 0.281 nan 8.240 nan 0.000 0.541 90 T N -0.273 114.294 114.554 0.023 0.000 2.829 90 T HA 0.569 4.916 4.350 -0.006 0.000 0.282 90 T C 0.180 174.897 174.700 0.028 0.000 0.990 90 T CA -0.660 61.454 62.100 0.023 0.000 1.028 90 T CB 1.593 70.468 68.868 0.013 0.000 0.951 90 T HN 0.036 nan 8.240 nan 0.000 0.460 91 S N 1.760 117.480 115.700 0.033 0.000 2.498 91 S HA 0.175 4.642 4.470 -0.006 0.000 0.281 91 S C 0.805 175.424 174.600 0.030 0.000 1.265 91 S CA -0.595 57.627 58.200 0.036 0.000 1.071 91 S CB -0.109 63.117 63.200 0.043 0.000 0.894 91 S HN 0.754 nan 8.310 nan 0.000 0.491 92 R N 3.027 123.544 120.500 0.029 0.000 2.565 92 R HA 0.217 4.554 4.340 -0.006 0.000 0.347 92 R C -0.834 175.483 176.300 0.027 0.000 1.010 92 R CA -0.324 55.791 56.100 0.025 0.000 1.126 92 R CB 0.138 30.451 30.300 0.022 0.000 1.331 92 R HN 0.457 nan 8.270 nan 0.000 0.552 93 N N 2.604 121.323 118.700 0.033 0.000 2.426 93 N HA 0.208 4.944 4.740 -0.006 0.000 0.257 93 N C -2.445 173.088 175.510 0.038 0.000 1.002 93 N CA -1.668 51.403 53.050 0.035 0.000 0.942 93 N CB 0.559 39.069 38.487 0.038 0.000 1.112 93 N HN -0.090 nan 8.380 nan 0.000 0.499 94 P HA -0.149 nan 4.420 nan 0.000 0.271 94 P C 0.563 177.890 177.300 0.045 0.000 1.197 94 P CA 0.220 63.339 63.100 0.031 0.000 0.777 94 P CB 0.564 32.281 31.700 0.028 0.000 0.827 95 R N -1.564 118.959 120.500 0.040 0.000 3.785 95 R HA -0.146 4.191 4.340 -0.006 0.000 0.476 95 R C -0.191 176.187 176.300 0.130 0.000 0.905 95 R CA 1.282 57.427 56.100 0.074 0.000 1.412 95 R CB -1.749 28.614 30.300 0.105 0.000 2.077 95 R HN 0.531 nan 8.270 nan 0.000 0.504 96 S N 0.342 116.096 115.700 0.090 0.000 2.489 96 S HA 0.557 5.024 4.470 -0.006 0.000 0.291 96 S C -0.057 174.581 174.600 0.063 0.000 1.151 96 S CA 0.242 58.502 58.200 0.101 0.000 1.082 96 S CB 1.512 64.757 63.200 0.075 0.000 1.019 96 S HN 0.367 nan 8.310 nan 0.000 0.492 97 T N 0.812 115.410 114.554 0.073 0.000 2.927 97 T HA 0.483 4.830 4.350 -0.006 0.000 0.286 97 T C 1.254 175.977 174.700 0.038 0.000 1.040 97 T CA -0.760 61.357 62.100 0.029 0.000 1.010 97 T CB 0.705 69.569 68.868 -0.007 0.000 1.177 97 T HN 0.277 nan 8.240 nan 0.000 0.546 98 V N 1.342 121.269 119.914 0.022 0.000 2.407 98 V HA 0.010 4.127 4.120 -0.006 0.000 0.248 98 V C 2.860 178.990 176.094 0.061 0.000 1.055 98 V CA 2.420 64.737 62.300 0.027 0.000 1.049 98 V CB -1.426 30.399 31.823 0.004 0.000 0.662 98 V HN 1.093 nan 8.190 nan 0.000 0.455 99 G N 0.229 109.075 108.800 0.076 0.000 2.422 99 G HA2 -0.264 3.693 3.960 -0.006 0.000 0.218 99 G HA3 -0.264 3.693 3.960 -0.006 0.000 0.218 99 G C 1.793 176.806 174.900 0.187 0.000 1.146 99 G CA 1.654 46.845 45.100 0.151 0.000 0.769 99 G HN 0.581 nan 8.290 nan 0.000 0.547 100 T N -0.974 113.659 114.554 0.132 0.000 2.770 100 T HA -0.042 4.305 4.350 -0.006 0.000 0.258 100 T C 2.309 177.070 174.700 0.102 0.000 1.039 100 T CA 1.289 63.466 62.100 0.129 0.000 1.143 100 T CB -0.571 68.356 68.868 0.098 0.000 0.866 100 T HN -0.018 nan 8.240 nan 0.000 0.428 101 V N 3.119 123.082 119.914 0.083 0.000 2.392 101 V HA -0.162 3.955 4.120 -0.006 0.000 0.249 101 V C 3.151 179.289 176.094 0.072 0.000 1.059 101 V CA 2.261 64.602 62.300 0.067 0.000 1.051 101 V CB -1.395 30.459 31.823 0.051 0.000 0.658 101 V HN 0.869 nan 8.190 nan 0.000 0.455 102 T N -3.282 111.324 114.554 0.086 0.000 3.088 102 T HA 0.002 4.349 4.350 -0.006 0.000 0.259 102 T C 1.185 175.963 174.700 0.131 0.000 1.122 102 T CA 0.889 63.046 62.100 0.095 0.000 1.095 102 T CB -0.059 68.865 68.868 0.094 0.000 0.930 102 T HN 0.611 nan 8.240 nan 0.000 0.508 103 E N -0.660 119.626 120.200 0.143 0.000 4.028 103 E HA -0.202 4.144 4.350 -0.006 0.000 0.343 103 E C 0.901 177.653 176.600 0.254 0.000 0.700 103 E CA 0.744 57.244 56.400 0.167 0.000 1.288 103 E CB -1.991 27.808 29.700 0.164 0.000 1.677 103 E HN 0.668 nan 8.360 nan 0.000 0.424 104 I N 0.102 120.817 120.570 0.241 0.000 2.315 104 I HA -0.234 3.932 4.170 -0.006 0.000 0.248 104 I C 2.137 178.407 176.117 0.255 0.000 1.117 104 I CA 1.663 63.112 61.300 0.248 0.000 1.404 104 I CB -0.364 37.739 38.000 0.172 0.000 1.071 104 I HN 0.283 nan 8.210 nan 0.000 0.419 105 Y N 1.958 122.331 120.300 0.121 0.000 2.224 105 Y HA -0.309 4.238 4.550 -0.005 0.000 0.289 105 Y C 2.174 178.106 175.900 0.053 0.000 1.146 105 Y CA 1.696 59.853 58.100 0.095 0.000 1.182 105 Y CB -0.042 38.478 38.460 0.100 0.000 0.983 105 Y HN 0.209 nan 8.280 nan 0.000 0.524 106 D N -0.622 119.795 120.400 0.027 0.000 2.097 106 D HA -0.222 4.414 4.640 -0.006 0.000 0.195 106 D C 1.903 178.091 176.300 -0.186 0.000 0.989 106 D CA 1.750 55.668 54.000 -0.136 0.000 0.827 106 D CB -0.787 39.921 40.800 -0.154 0.000 0.966 106 D HN 0.449 nan 8.370 nan 0.000 0.456 107 Y N 0.552 120.817 120.300 -0.058 0.000 2.207 107 Y HA -0.142 4.405 4.550 -0.006 0.000 0.287 107 Y C 2.357 178.209 175.900 -0.080 0.000 1.156 107 Y CA 0.394 58.457 58.100 -0.062 0.000 1.182 107 Y CB -0.070 38.358 38.460 -0.053 0.000 0.979 107 Y HN -0.019 nan 8.280 nan 0.000 0.521 108 L N 0.047 121.291 121.223 0.035 0.000 2.083 108 L HA -0.201 4.135 4.340 -0.006 0.000 0.209 108 L C 2.208 179.007 176.870 -0.118 0.000 1.083 108 L CA 1.750 56.594 54.840 0.008 0.000 0.752 108 L CB -1.035 41.001 42.059 -0.038 0.000 0.899 108 L HN 0.330 nan 8.230 nan 0.000 0.433 109 R N -0.538 119.778 120.500 -0.308 0.000 2.092 109 R HA -0.140 4.197 4.340 -0.006 0.000 0.231 109 R C 2.219 178.449 176.300 -0.116 0.000 1.119 109 R CA 0.821 56.749 56.100 -0.286 0.000 0.970 109 R CB -0.349 29.829 30.300 -0.203 0.000 0.864 109 R HN 0.298 nan 8.270 nan 0.000 0.440 110 L N 0.881 122.059 121.223 -0.075 0.000 2.156 110 L HA -0.129 4.208 4.340 -0.006 0.000 0.208 110 L C 2.235 179.107 176.870 0.004 0.000 1.095 110 L CA 0.607 55.432 54.840 -0.025 0.000 0.770 110 L CB -0.078 41.953 42.059 -0.047 0.000 0.914 110 L HN 0.143 nan 8.230 nan 0.000 0.439 111 L N -0.787 120.449 121.223 0.021 0.000 1.994 111 L HA -0.197 4.139 4.340 -0.006 0.000 0.208 111 L C 2.119 178.952 176.870 -0.062 0.000 1.071 111 L CA 1.962 56.808 54.840 0.010 0.000 0.745 111 L CB -0.669 41.427 42.059 0.063 0.000 0.892 111 L HN 0.083 nan 8.230 nan 0.000 0.431 112 F N -0.270 119.503 119.950 -0.296 0.000 2.269 112 F HA -0.155 4.370 4.527 -0.003 0.000 0.301 112 F C 2.368 177.995 175.800 -0.288 0.000 1.082 112 F CA 1.100 58.817 58.000 -0.472 0.000 1.360 112 F CB -0.980 37.324 39.000 -1.160 0.000 1.041 112 F HN 0.217 nan 8.300 nan 0.000 0.512 113 A N 0.071 122.904 122.820 0.022 0.000 1.854 113 A HA -0.100 4.217 4.320 -0.006 0.000 0.214 113 A C 2.464 180.113 177.584 0.109 0.000 1.192 113 A CA 1.005 53.166 52.037 0.206 0.000 0.611 113 A CB -0.345 18.768 19.000 0.189 0.000 0.832 113 A HN 0.103 nan 8.150 nan 0.000 0.442 114 R N 0.064 120.592 120.500 0.048 0.000 2.061 114 R HA -0.069 4.268 4.340 -0.006 0.000 0.230 114 R C 2.024 178.333 176.300 0.015 0.000 1.140 114 R CA 1.928 58.047 56.100 0.031 0.000 0.940 114 R CB -0.827 29.481 30.300 0.014 0.000 0.839 114 R HN 0.801 nan 8.270 nan 0.000 0.429 115 I N -2.512 118.041 120.570 -0.027 0.000 4.018 115 I HA 0.342 4.509 4.170 -0.006 0.000 0.337 115 I C 0.675 176.742 176.117 -0.083 0.000 1.327 115 I CA -0.210 61.063 61.300 -0.045 0.000 1.100 115 I CB 0.234 38.198 38.000 -0.060 0.000 1.025 115 I HN -0.128 nan 8.210 nan 0.000 0.396 116 G N 2.895 111.624 108.800 -0.117 0.000 2.298 116 G HA2 0.161 4.117 3.960 -0.006 0.000 0.263 116 G HA3 0.161 4.117 3.960 -0.006 0.000 0.263 116 G C -0.175 174.714 174.900 -0.019 0.000 1.229 116 G CA -0.354 44.656 45.100 -0.150 0.000 0.976 116 G HN 0.380 nan 8.290 nan 0.000 0.459 117 R N 4.214 124.703 120.500 -0.018 0.000 2.296 117 R HA 0.199 4.535 4.340 -0.006 0.000 0.323 117 R C -2.278 174.070 176.300 0.080 0.000 1.067 117 R CA -1.204 54.917 56.100 0.036 0.000 0.946 117 R CB 1.085 31.407 30.300 0.036 0.000 0.991 117 R HN 0.396 nan 8.270 nan 0.000 0.448 118 P HA 0.197 nan 4.420 nan 0.000 0.292 118 P C -0.536 176.856 177.300 0.154 0.000 1.287 118 P CA -0.339 62.829 63.100 0.114 0.000 0.800 118 P CB 0.900 32.610 31.700 0.017 0.000 0.945 119 I N 0.551 121.224 120.570 0.172 0.000 2.740 119 I HA 0.522 4.689 4.170 -0.006 0.000 0.303 119 I C -0.324 175.870 176.117 0.129 0.000 1.044 119 I CA -1.358 60.032 61.300 0.150 0.000 1.064 119 I CB 2.027 40.093 38.000 0.110 0.000 1.249 119 I HN 0.262 nan 8.210 nan 0.000 0.433 120 C N 6.668 126.016 119.300 0.080 0.000 2.629 120 C HA 0.348 4.805 4.460 -0.006 0.000 0.410 120 C C -0.965 173.877 174.990 -0.247 0.000 1.339 120 C CA -1.008 57.921 59.018 -0.148 0.000 1.810 120 C CB 0.270 28.006 27.740 -0.006 0.000 2.549 120 C HN 0.769 nan 8.230 nan 0.000 0.589 121 P HA -0.085 nan 4.420 nan 0.000 0.215 121 P C 1.726 178.883 177.300 -0.238 0.000 1.157 121 P CA 2.047 64.975 63.100 -0.288 0.000 0.868 121 P CB -0.070 31.426 31.700 -0.339 0.000 0.788 122 T N -1.458 112.879 114.554 -0.361 0.000 2.652 122 T HA -0.174 4.173 4.350 -0.006 0.000 0.267 122 T C 1.416 175.957 174.700 -0.265 0.000 1.039 122 T CA 1.667 63.548 62.100 -0.365 0.000 1.153 122 T CB -0.961 67.550 68.868 -0.596 0.000 0.863 122 T HN 0.394 nan 8.240 nan 0.000 0.428 123 H N -0.773 118.284 119.070 -0.022 0.000 2.622 123 H HA 0.393 4.945 4.556 -0.006 0.000 0.269 123 H C 1.695 177.053 175.328 0.050 0.000 0.977 123 H CA -0.055 56.019 56.048 0.043 0.000 1.179 123 H CB 0.297 30.148 29.762 0.148 0.000 1.458 123 H HN 0.434 nan 8.280 nan 0.000 0.531 124 G N 1.794 110.660 108.800 0.111 0.000 2.296 124 G HA2 -0.323 3.633 3.960 -0.006 0.000 0.282 124 G HA3 -0.323 3.633 3.960 -0.006 0.000 0.282 124 G C 0.136 175.108 174.900 0.119 0.000 1.014 124 G CA 0.721 45.875 45.100 0.091 0.000 0.812 124 G HN 0.494 nan 8.290 nan 0.000 0.508 125 I N -0.485 120.181 120.570 0.160 0.000 2.460 125 I HA 0.406 4.573 4.170 -0.006 0.000 0.298 125 I C 0.310 176.513 176.117 0.143 0.000 0.989 125 I CA -1.095 60.299 61.300 0.157 0.000 1.173 125 I CB 0.944 39.069 38.000 0.209 0.000 1.338 125 I HN 0.153 nan 8.210 nan 0.000 0.456 126 E N 7.959 128.233 120.200 0.123 0.000 2.161 126 E HA 0.098 4.445 4.350 -0.006 0.000 0.263 126 E C -0.203 176.480 176.600 0.139 0.000 1.185 126 E CA -0.100 56.375 56.400 0.124 0.000 0.938 126 E CB 0.142 29.904 29.700 0.103 0.000 1.023 126 E HN 0.430 nan 8.360 nan 0.000 0.433 127 I N 0.438 121.111 120.570 0.171 0.000 2.618 127 I HA 0.035 4.202 4.170 -0.006 0.000 0.284 127 I C 0.175 176.424 176.117 0.220 0.000 1.146 127 I CA -0.346 61.063 61.300 0.183 0.000 1.425 127 I CB 0.390 38.529 38.000 0.231 0.000 1.383 127 I HN 0.268 nan 8.210 nan 0.000 0.562 128 Q N 4.802 124.696 119.800 0.158 0.000 2.385 128 Q HA 0.612 4.949 4.340 -0.006 0.000 0.262 128 Q C -0.678 175.326 176.000 0.007 0.000 1.050 128 Q CA -0.763 55.117 55.803 0.128 0.000 0.903 128 Q CB 2.090 30.878 28.738 0.083 0.000 1.325 128 Q HN 0.916 nan 8.270 nan 0.000 0.485 129 S N 0.219 115.848 115.700 -0.119 0.000 2.689 129 S HA 0.557 5.024 4.470 -0.006 0.000 0.274 129 S C -1.103 173.407 174.600 -0.151 0.000 1.176 129 S CA -0.873 57.191 58.200 -0.227 0.000 1.014 129 S CB 1.431 64.270 63.200 -0.601 0.000 1.071 129 S HN 0.369 nan 8.310 nan 0.000 0.478 130 Q N 2.019 121.749 119.800 -0.116 0.000 2.337 130 Q HA 0.657 4.993 4.340 -0.006 0.000 0.266 130 Q C 0.167 176.085 176.000 -0.137 0.000 1.023 130 Q CA -0.568 55.148 55.803 -0.145 0.000 0.829 130 Q CB 2.003 30.596 28.738 -0.242 0.000 1.306 130 Q HN 0.850 nan 8.270 nan 0.000 0.449 131 T N -1.826 112.657 114.554 -0.119 0.000 2.788 131 T HA 0.333 4.679 4.350 -0.006 0.000 0.287 131 T C 1.345 175.977 174.700 -0.114 0.000 1.007 131 T CA -0.543 61.502 62.100 -0.092 0.000 1.005 131 T CB 0.444 69.272 68.868 -0.067 0.000 1.012 131 T HN 0.567 nan 8.240 nan 0.000 0.530 132 I N 0.627 121.149 120.570 -0.080 0.000 2.264 132 I HA -0.201 3.966 4.170 -0.006 0.000 0.248 132 I C 2.761 178.825 176.117 -0.089 0.000 1.111 132 I CA 1.627 62.881 61.300 -0.077 0.000 1.382 132 I CB -0.529 37.449 38.000 -0.038 0.000 1.060 132 I HN 0.797 nan 8.210 nan 0.000 0.418 133 E N 0.470 120.626 120.200 -0.073 0.000 2.085 133 E HA -0.187 4.160 4.350 -0.006 0.000 0.194 133 E C 1.065 177.614 176.600 -0.086 0.000 0.994 133 E CA 0.769 57.131 56.400 -0.064 0.000 0.801 133 E CB -0.084 29.587 29.700 -0.047 0.000 0.743 133 E HN 0.595 nan 8.360 nan 0.000 0.453 137 D N 1.368 121.753 120.400 -0.025 0.000 2.264 137 D HA -0.163 4.473 4.640 -0.006 0.000 0.208 137 D C 1.757 178.075 176.300 0.029 0.000 0.966 137 D CA 1.482 55.483 54.000 0.001 0.000 0.864 137 D CB -0.224 40.570 40.800 -0.010 0.000 0.933 137 D HN 0.470 nan 8.370 nan 0.000 0.499 138 R N -0.224 120.286 120.500 0.018 0.000 2.073 138 R HA 0.124 4.461 4.340 -0.006 0.000 0.229 138 R C 2.422 178.855 176.300 0.220 0.000 1.120 138 R CA 0.810 56.962 56.100 0.086 0.000 0.967 138 R CB -0.261 30.065 30.300 0.043 0.000 0.862 138 R HN 0.264 nan 8.270 nan 0.000 0.436 139 L N 0.461 121.783 121.223 0.165 0.000 2.109 139 L HA -0.110 4.226 4.340 -0.006 0.000 0.207 139 L C 2.145 179.130 176.870 0.192 0.000 1.086 139 L CA 0.897 55.830 54.840 0.155 0.000 0.760 139 L CB -0.260 41.834 42.059 0.059 0.000 0.910 139 L HN 0.188 nan 8.230 nan 0.000 0.437 140 L N -1.003 120.297 121.223 0.129 0.000 2.362 140 L HA -0.136 4.200 4.340 -0.006 0.000 0.219 140 L C 2.570 179.517 176.870 0.127 0.000 1.134 140 L CA 0.578 55.481 54.840 0.105 0.000 0.807 140 L CB -0.330 41.763 42.059 0.057 0.000 0.927 140 L HN 0.190 nan 8.230 nan 0.000 0.447 141 S N -1.389 114.405 115.700 0.157 0.000 2.522 141 S HA -0.024 4.443 4.470 -0.006 0.000 0.227 141 S C 0.764 175.407 174.600 0.072 0.000 0.986 141 S CA -0.077 58.176 58.200 0.087 0.000 0.929 141 S CB -0.114 63.108 63.200 0.036 0.000 0.769 141 S HN 0.194 nan 8.310 nan 0.000 0.529 142 Y N 2.915 123.228 120.300 0.023 0.000 2.357 142 Y HA 0.304 4.851 4.550 -0.005 0.000 0.340 142 Y C -1.613 174.297 175.900 0.017 0.000 1.260 142 Y CA -2.063 56.051 58.100 0.023 0.000 1.425 142 Y CB -0.098 38.379 38.460 0.028 0.000 1.326 142 Y HN 0.204 nan 8.280 nan 0.000 0.580 143 P HA 0.016 nan 4.420 nan 0.000 0.269 143 P C -0.755 176.603 177.300 0.097 0.000 1.215 143 P CA -0.154 63.000 63.100 0.090 0.000 0.780 143 P CB 0.651 32.391 31.700 0.066 0.000 0.898 144 E N 1.138 121.375 120.200 0.062 0.000 2.409 144 E HA 0.012 4.359 4.350 -0.006 0.000 0.257 144 E C 0.532 177.159 176.600 0.044 0.000 1.150 144 E CA -0.179 56.251 56.400 0.049 0.000 0.942 144 E CB 0.140 29.861 29.700 0.034 0.000 0.979 144 E HN 0.372 nan 8.360 nan 0.000 0.447 145 R N -1.498 119.022 120.500 0.034 0.000 3.994 145 R HA -0.161 4.175 4.340 -0.006 0.000 0.403 145 R C -0.086 176.231 176.300 0.027 0.000 1.126 145 R CA 1.047 57.163 56.100 0.026 0.000 1.143 145 R CB -2.679 27.634 30.300 0.023 0.000 1.695 145 R HN 0.705 nan 8.270 nan 0.000 0.555 146 T N -0.234 114.344 114.554 0.038 0.000 2.727 146 T HA 0.424 4.770 4.350 -0.006 0.000 0.295 146 T C 0.478 175.179 174.700 0.002 0.000 0.915 146 T CA -0.641 61.480 62.100 0.035 0.000 1.066 146 T CB 1.632 70.545 68.868 0.076 0.000 0.891 146 T HN 0.105 nan 8.240 nan 0.000 0.516 150 I N 4.999 125.549 120.570 -0.033 0.000 2.421 150 I HA 0.273 4.440 4.170 -0.006 0.000 0.291 150 I C 0.288 176.388 176.117 -0.028 0.000 1.089 150 I CA -0.106 61.175 61.300 -0.031 0.000 1.354 150 I CB -0.173 37.821 38.000 -0.009 0.000 1.413 150 I HN 0.687 nan 8.210 nan 0.000 0.513 151 L N 3.928 125.128 121.223 -0.038 0.000 2.341 151 L HA 1.039 5.376 4.340 -0.006 0.000 0.267 151 L C -0.482 176.370 176.870 -0.031 0.000 1.009 151 L CA -0.898 53.923 54.840 -0.030 0.000 0.819 151 L CB 2.189 44.230 42.059 -0.031 0.000 1.323 151 L HN 0.477 nan 8.230 nan 0.000 0.425 152 A N 2.542 125.350 122.820 -0.020 0.000 2.330 152 A HA 0.902 5.219 4.320 -0.006 0.000 0.313 152 A C -2.639 174.938 177.584 -0.013 0.000 1.124 152 A CA -1.572 50.455 52.037 -0.016 0.000 0.774 152 A CB 1.020 20.016 19.000 -0.007 0.000 1.198 152 A HN 0.642 nan 8.150 nan 0.000 0.465 201 D N 5.708 126.105 120.400 -0.006 0.000 2.505 201 D HA 0.403 5.040 4.640 -0.006 0.000 0.250 201 D C -0.020 176.274 176.300 -0.010 0.000 1.164 201 D CA -0.208 53.786 54.000 -0.009 0.000 0.870 201 D CB 2.861 43.652 40.800 -0.015 0.000 1.160 201 D HN 0.623 nan 8.370 nan 0.000 0.549 202 V N 0.378 120.287 119.914 -0.008 0.000 2.572 202 V HA 0.211 4.328 4.120 -0.006 0.000 0.291 202 V C 0.614 176.702 176.094 -0.010 0.000 1.039 202 V CA -0.669 61.627 62.300 -0.008 0.000 1.055 202 V CB 1.292 33.112 31.823 -0.005 0.000 0.969 202 V HN 0.275 nan 8.190 nan 0.000 0.482 203 V N 6.185 126.093 119.914 -0.010 0.000 2.455 203 V HA 0.213 4.330 4.120 -0.006 0.000 0.273 203 V C 0.971 177.059 176.094 -0.009 0.000 1.045 203 V CA 0.516 62.809 62.300 -0.012 0.000 0.976 203 V CB 1.272 33.088 31.823 -0.012 0.000 0.993 203 V HN 0.889 nan 8.190 nan 0.000 0.475 204 V N 5.537 125.445 119.914 -0.009 0.000 2.251 204 V HA 0.110 4.227 4.120 -0.006 0.000 0.237 204 V C 0.452 176.543 176.094 -0.005 0.000 1.040 204 V CA 1.672 63.969 62.300 -0.006 0.000 1.005 204 V CB -0.236 31.585 31.823 -0.003 0.000 0.645 204 V HN 1.111 nan 8.190 nan 0.000 0.458 205 D N -1.595 118.801 120.400 -0.007 0.000 2.706 205 D HA 0.272 4.909 4.640 -0.006 0.000 0.225 205 D C -0.889 175.405 176.300 -0.010 0.000 1.241 205 D CA -0.771 53.225 54.000 -0.007 0.000 0.784 205 D CB 1.115 41.913 40.800 -0.004 0.000 1.521 205 D HN 0.110 nan 8.370 nan 0.000 0.461 206 R N 0.390 120.884 120.500 -0.010 0.000 2.390 206 R HA 0.714 5.051 4.340 -0.006 0.000 0.291 206 R C 0.060 176.353 176.300 -0.011 0.000 1.070 206 R CA -0.536 55.556 56.100 -0.013 0.000 1.014 206 R CB 0.986 31.279 30.300 -0.011 0.000 1.007 206 R HN 0.591 nan 8.270 nan 0.000 0.466 207 I N -0.905 119.657 120.570 -0.014 0.000 2.802 207 I HA 0.516 4.683 4.170 -0.006 0.000 0.298 207 I C -0.878 175.232 176.117 -0.011 0.000 1.176 207 I CA -1.130 60.164 61.300 -0.010 0.000 1.025 207 I CB 2.122 40.117 38.000 -0.008 0.000 1.243 207 I HN 0.460 nan 8.210 nan 0.000 0.424 208 I N 5.276 125.843 120.570 -0.005 0.000 2.354 208 I HA 0.406 4.573 4.170 -0.006 0.000 0.292 208 I C -0.227 175.892 176.117 0.004 0.000 0.989 208 I CA -0.676 60.623 61.300 -0.001 0.000 1.188 208 I CB 1.899 39.901 38.000 0.004 0.000 1.342 208 I HN 0.444 nan 8.210 nan 0.000 0.457 209 I N 7.418 127.993 120.570 0.008 0.000 2.337 209 I HA 0.156 4.323 4.170 -0.006 0.000 0.291 209 I C 0.707 176.840 176.117 0.027 0.000 1.046 209 I CA 0.208 61.519 61.300 0.019 0.000 1.324 209 I CB 0.608 38.626 38.000 0.029 0.000 1.409 209 I HN 0.729 nan 8.210 nan 0.000 0.494 210 K N 3.292 123.706 120.400 0.023 0.000 2.602 210 K HA 0.178 4.495 4.320 -0.006 0.000 0.245 210 K C 0.436 177.050 176.600 0.023 0.000 1.288 210 K CA -0.098 56.202 56.287 0.023 0.000 0.782 210 K CB 0.309 32.819 32.500 0.016 0.000 1.694 210 K HN 0.544 nan 8.250 nan 0.000 0.384 211 D N -1.685 118.726 120.400 0.018 0.000 2.630 211 D HA 0.047 4.684 4.640 -0.006 0.000 0.137 211 D C 1.021 177.329 176.300 0.013 0.000 1.483 211 D CA 0.441 54.451 54.000 0.017 0.000 1.490 211 D CB -0.214 40.594 40.800 0.014 0.000 1.894 211 D HN 0.200 nan 8.370 nan 0.000 0.269 212 G N 0.731 109.537 108.800 0.010 0.000 3.155 212 G HA2 0.131 4.087 3.960 -0.006 0.000 0.213 212 G HA3 0.131 4.087 3.960 -0.006 0.000 0.213 212 G C 1.075 175.979 174.900 0.008 0.000 1.196 212 G CA 0.676 45.780 45.100 0.008 0.000 0.846 212 G HN 0.413 nan 8.290 nan 0.000 0.516 213 I N -2.094 118.481 120.570 0.009 0.000 3.749 213 I HA 0.451 4.618 4.170 -0.006 0.000 0.314 213 I C 2.042 178.164 176.117 0.008 0.000 1.267 213 I CA -0.285 61.020 61.300 0.008 0.000 1.169 213 I CB 0.050 38.055 38.000 0.009 0.000 1.009 213 I HN -0.031 nan 8.210 nan 0.000 0.444 214 A N 1.158 123.983 122.820 0.008 0.000 2.019 214 A HA 0.113 4.429 4.320 -0.006 0.000 0.219 214 A C 2.523 180.109 177.584 0.003 0.000 1.164 214 A CA 1.486 53.526 52.037 0.006 0.000 0.644 214 A CB -0.808 18.194 19.000 0.005 0.000 0.805 214 A HN 0.594 nan 8.150 nan 0.000 0.449 215 A N 0.123 122.945 122.820 0.003 0.000 1.835 215 A HA -0.166 4.151 4.320 -0.006 0.000 0.215 215 A C 2.287 179.872 177.584 0.003 0.000 1.199 215 A CA 1.538 53.577 52.037 0.002 0.000 0.615 215 A CB -0.550 18.451 19.000 0.002 0.000 0.838 215 A HN 0.506 nan 8.150 nan 0.000 0.444 216 R N -1.267 119.236 120.500 0.004 0.000 2.070 216 R HA -0.132 4.205 4.340 -0.006 0.000 0.232 216 R C 2.177 178.481 176.300 0.007 0.000 1.138 216 R CA 1.493 57.596 56.100 0.004 0.000 0.936 216 R CB -0.892 29.410 30.300 0.004 0.000 0.839 216 R HN 0.463 nan 8.270 nan 0.000 0.429 217 L N 1.065 122.293 121.223 0.008 0.000 2.034 217 L HA -0.249 4.088 4.340 -0.006 0.000 0.217 217 L C 2.254 179.133 176.870 0.015 0.000 1.077 217 L CA 2.248 57.095 54.840 0.013 0.000 0.769 217 L CB -0.704 41.364 42.059 0.014 0.000 0.890 217 L HN 0.216 nan 8.230 nan 0.000 0.435 218 A N -1.690 121.134 122.820 0.007 0.000 1.969 218 A HA -0.200 4.117 4.320 -0.006 0.000 0.218 218 A C 2.129 179.716 177.584 0.005 0.000 1.169 218 A CA 1.672 53.711 52.037 0.003 0.000 0.635 218 A CB -0.623 18.375 19.000 -0.004 0.000 0.810 218 A HN 0.578 nan 8.150 nan 0.000 0.445 219 D N -0.923 119.480 120.400 0.006 0.000 2.271 219 D HA 0.017 4.654 4.640 -0.006 0.000 0.206 219 D C 1.989 178.295 176.300 0.009 0.000 0.967 219 D CA 1.130 55.133 54.000 0.006 0.000 0.867 219 D CB 0.201 41.003 40.800 0.004 0.000 0.960 219 D HN 0.307 nan 8.370 nan 0.000 0.509 220 S N 0.051 115.758 115.700 0.012 0.000 2.371 220 S HA -0.006 4.460 4.470 -0.006 0.000 0.224 220 S C 2.176 176.789 174.600 0.022 0.000 1.029 220 S CA 0.402 58.610 58.200 0.013 0.000 0.978 220 S CB -0.022 63.184 63.200 0.011 0.000 0.833 220 S HN 0.278 nan 8.310 nan 0.000 0.466 221 L N 1.376 122.620 121.223 0.034 0.000 2.017 221 L HA -0.145 4.191 4.340 -0.006 0.000 0.208 221 L C 2.700 179.593 176.870 0.039 0.000 1.073 221 L CA 1.501 56.375 54.840 0.056 0.000 0.745 221 L CB -0.563 41.543 42.059 0.078 0.000 0.894 221 L HN 0.387 nan 8.230 nan 0.000 0.432 222 E N -0.201 120.013 120.200 0.023 0.000 2.097 222 E HA -0.236 4.110 4.350 -0.006 0.000 0.196 222 E C 1.952 178.559 176.600 0.013 0.000 1.000 222 E CA 1.977 58.386 56.400 0.014 0.000 0.804 222 E CB 0.077 29.780 29.700 0.006 0.000 0.740 222 E HN 0.421 nan 8.360 nan 0.000 0.454 223 T N 0.278 114.839 114.554 0.012 0.000 2.812 223 T HA -0.038 4.308 4.350 -0.006 0.000 0.264 223 T C 1.826 176.532 174.700 0.010 0.000 1.042 223 T CA 1.116 63.222 62.100 0.009 0.000 1.140 223 T CB -0.214 68.659 68.868 0.007 0.000 0.870 223 T HN 0.336 nan 8.240 nan 0.000 0.445 224 A N 1.331 124.160 122.820 0.015 0.000 1.898 224 A HA 0.066 4.383 4.320 -0.006 0.000 0.216 224 A C 2.224 179.818 177.584 0.017 0.000 1.181 224 A CA 1.069 53.114 52.037 0.014 0.000 0.620 224 A CB -0.794 18.216 19.000 0.017 0.000 0.819 224 A HN 0.476 nan 8.150 nan 0.000 0.442 225 L N -1.111 120.127 121.223 0.025 0.000 2.275 225 L HA -0.112 4.225 4.340 -0.006 0.000 0.215 225 L C 2.264 179.142 176.870 0.013 0.000 1.119 225 L CA 1.141 55.995 54.840 0.024 0.000 0.790 225 L CB -0.291 41.786 42.059 0.030 0.000 0.919 225 L HN 0.364 nan 8.230 nan 0.000 0.443 226 K N -0.547 119.859 120.400 0.010 0.000 2.305 226 K HA -0.057 4.260 4.320 -0.006 0.000 0.199 226 K C 1.757 178.360 176.600 0.005 0.000 1.047 226 K CA 0.484 56.775 56.287 0.006 0.000 0.976 226 K CB 0.245 32.748 32.500 0.005 0.000 0.765 226 K HN 0.081 nan 8.250 nan 0.000 0.474 227 L N -0.282 120.944 121.223 0.005 0.000 2.316 227 L HA 0.197 4.533 4.340 -0.006 0.000 0.207 227 L C 1.645 178.517 176.870 0.002 0.000 1.070 227 L CA 1.062 55.904 54.840 0.003 0.000 0.820 227 L CB 0.164 42.224 42.059 0.002 0.000 0.992 227 L HN -0.019 nan 8.230 nan 0.000 0.466 228 A N -1.735 121.087 122.820 0.003 0.000 2.348 228 A HA 0.199 4.516 4.320 -0.006 0.000 0.224 228 A C 0.103 177.690 177.584 0.004 0.000 1.227 228 A CA 0.366 52.405 52.037 0.003 0.000 0.885 228 A CB -0.262 18.738 19.000 0.001 0.000 0.933 228 A HN 0.421 nan 8.150 nan 0.000 0.506 229 D N -1.021 119.383 120.400 0.005 0.000 4.044 229 D HA -0.113 4.524 4.640 -0.006 0.000 0.242 229 D C 0.945 177.249 176.300 0.007 0.000 1.076 229 D CA 1.667 55.670 54.000 0.005 0.000 1.171 229 D CB -1.415 39.386 40.800 0.002 0.000 0.866 229 D HN 1.427 nan 8.370 nan 0.000 0.413 230 G N 2.723 111.529 108.800 0.010 0.000 2.187 230 G HA2 -0.307 3.650 3.960 -0.006 0.000 0.261 230 G HA3 -0.307 3.650 3.960 -0.006 0.000 0.261 230 G C 0.181 175.095 174.900 0.025 0.000 1.000 230 G CA 1.287 46.395 45.100 0.014 0.000 0.718 230 G HN 0.949 nan 8.290 nan 0.000 0.519 231 K N -1.932 118.483 120.400 0.026 0.000 2.525 231 K HA 0.805 5.122 4.320 -0.006 0.000 0.254 231 K C -1.491 175.119 176.600 0.017 0.000 0.934 231 K CA -1.100 55.203 56.287 0.027 0.000 0.802 231 K CB 3.085 35.591 32.500 0.009 0.000 1.295 231 K HN 0.784 nan 8.250 nan 0.000 0.433 232 V N 2.307 122.226 119.914 0.008 0.000 2.891 232 V HA 0.470 4.586 4.120 -0.006 0.000 0.304 232 V C -1.726 174.273 176.094 -0.158 0.000 1.171 232 V CA -0.695 61.586 62.300 -0.033 0.000 0.943 232 V CB 2.110 33.950 31.823 0.028 0.000 1.037 232 V HN 0.702 nan 8.190 nan 0.000 0.427 233 V N 7.156 126.976 119.914 -0.158 0.000 2.483 233 V HA 0.747 4.863 4.120 -0.006 0.000 0.295 233 V C -0.756 175.210 176.094 -0.212 0.000 1.035 233 V CA -0.070 62.095 62.300 -0.226 0.000 0.896 233 V CB 1.997 33.735 31.823 -0.141 0.000 0.986 233 V HN 0.792 nan 8.190 nan 0.000 0.447 234 V N 5.835 125.577 119.914 -0.286 0.000 2.350 234 V HA 0.360 4.476 4.120 -0.006 0.000 0.285 234 V C -0.429 175.569 176.094 -0.160 0.000 1.014 234 V CA -0.555 61.622 62.300 -0.206 0.000 0.831 234 V CB 1.508 33.193 31.823 -0.231 0.000 1.000 234 V HN 0.979 nan 8.190 nan 0.000 0.433 235 D N 4.429 124.764 120.400 -0.109 0.000 2.468 235 D HA 0.162 4.798 4.640 -0.006 0.000 0.218 235 D C -0.105 176.146 176.300 -0.081 0.000 1.155 235 D CA 0.020 53.972 54.000 -0.081 0.000 0.924 235 D CB 1.353 42.120 40.800 -0.055 0.000 1.029 235 D HN 0.321 nan 8.370 nan 0.000 0.515 236 V N 5.506 125.362 119.914 -0.098 0.000 2.655 236 V HA 0.003 4.120 4.120 -0.006 0.000 0.300 236 V C 1.372 177.439 176.094 -0.045 0.000 1.044 236 V CA -0.278 61.959 62.300 -0.104 0.000 1.095 236 V CB 0.536 32.264 31.823 -0.157 0.000 0.952 236 V HN 0.480 nan 8.190 nan 0.000 0.485 237 I N 6.027 126.578 120.570 -0.033 0.000 3.241 237 I HA -0.020 4.147 4.170 -0.006 0.000 0.280 237 I C 2.120 178.241 176.117 0.006 0.000 1.320 237 I CA 1.472 62.765 61.300 -0.011 0.000 1.413 237 I CB -1.492 36.503 38.000 -0.009 0.000 1.060 237 I HN 0.830 nan 8.210 nan 0.000 0.500 238 G N 0.247 109.059 108.800 0.019 0.000 2.920 238 G HA2 -0.108 3.849 3.960 -0.006 0.000 0.208 238 G HA3 -0.108 3.849 3.960 -0.006 0.000 0.208 238 G C 0.735 175.652 174.900 0.029 0.000 1.159 238 G CA 0.060 45.182 45.100 0.037 0.000 0.784 238 G HN 0.551 nan 8.290 nan 0.000 0.535 239 E N -1.306 118.903 120.200 0.015 0.000 2.264 239 E HA -0.113 4.234 4.350 -0.006 0.000 0.223 239 E C 0.352 176.963 176.600 0.018 0.000 1.220 239 E CA 0.191 56.597 56.400 0.009 0.000 0.692 239 E CB -1.446 28.259 29.700 0.008 0.000 1.203 239 E HN 0.422 nan 8.360 nan 0.000 0.384 240 G N 2.256 111.069 108.800 0.020 0.000 4.332 240 G HA2 0.235 4.192 3.960 -0.006 0.000 0.321 240 G HA3 0.235 4.192 3.960 -0.006 0.000 0.321 240 G C -0.364 174.542 174.900 0.011 0.000 1.439 240 G CA -0.546 44.576 45.100 0.036 0.000 0.900 240 G HN 0.236 nan 8.290 nan 0.000 0.515 241 E N 1.822 122.018 120.200 -0.006 0.000 2.030 241 E HA 0.029 4.375 4.350 -0.006 0.000 0.267 241 E C 0.707 177.276 176.600 -0.051 0.000 1.172 241 E CA -0.263 56.113 56.400 -0.041 0.000 1.080 241 E CB -0.008 29.673 29.700 -0.032 0.000 1.080 241 E HN 0.538 nan 8.360 nan 0.000 0.446 242 L N 1.026 122.202 121.223 -0.077 0.000 2.452 242 L HA 0.435 4.772 4.340 -0.006 0.000 0.267 242 L C -0.269 176.429 176.870 -0.287 0.000 1.188 242 L CA -0.355 54.427 54.840 -0.098 0.000 0.821 242 L CB 0.197 42.249 42.059 -0.012 0.000 1.102 242 L HN 0.253 nan 8.230 nan 0.000 0.470 243 L N 0.661 121.691 121.223 -0.322 0.000 2.543 243 L HA 0.796 5.132 4.340 -0.006 0.000 0.265 243 L C -1.482 175.188 176.870 -0.335 0.000 0.945 243 L CA -0.760 53.802 54.840 -0.464 0.000 0.869 243 L CB 1.645 43.551 42.059 -0.255 0.000 1.294 243 L HN 0.782 nan 8.230 nan 0.000 0.405 244 F N 0.569 120.497 119.950 -0.037 0.000 2.603 244 F HA 0.969 5.493 4.527 -0.005 0.000 0.317 244 F C -0.045 175.733 175.800 -0.037 0.000 1.066 244 F CA -0.970 57.007 58.000 -0.038 0.000 0.941 244 F CB 1.514 40.498 39.000 -0.027 0.000 1.291 244 F HN 0.671 nan 8.300 nan 0.000 0.472 245 S N -1.041 114.791 115.700 0.221 0.000 2.661 245 S HA 0.409 4.876 4.470 -0.006 0.000 0.285 245 S C 0.104 174.731 174.600 0.044 0.000 1.138 245 S CA -0.591 57.675 58.200 0.110 0.000 0.855 245 S CB 2.014 65.243 63.200 0.047 0.000 1.136 245 S HN 0.885 nan 8.310 nan 0.000 0.484 246 E N 0.245 120.451 120.200 0.010 0.000 2.371 246 E HA 0.079 4.426 4.350 -0.006 0.000 0.194 246 E C -0.016 176.537 176.600 -0.078 0.000 1.012 246 E CA 0.500 56.879 56.400 -0.035 0.000 0.860 246 E CB 0.130 29.818 29.700 -0.020 0.000 0.811 246 E HN 0.524 nan 8.360 nan 0.000 0.502 247 K N -0.476 119.888 120.400 -0.060 0.000 2.168 247 K HA 0.291 4.608 4.320 -0.006 0.000 0.239 247 K C -0.851 175.690 176.600 -0.098 0.000 0.999 247 K CA -0.756 55.488 56.287 -0.071 0.000 0.900 247 K CB 0.803 33.295 32.500 -0.013 0.000 1.111 247 K HN 0.041 nan 8.250 nan 0.000 0.452 248 H N 0.189 119.265 119.070 0.010 0.000 3.157 248 H HA 0.301 4.853 4.556 -0.006 0.000 0.260 248 H C -0.723 174.611 175.328 0.010 0.000 1.232 248 H CA -0.116 55.946 56.048 0.022 0.000 1.488 248 H CB 0.431 30.209 29.762 0.026 0.000 1.548 248 H HN 0.518 nan 8.280 nan 0.000 0.487 249 A N 2.336 125.226 122.820 0.117 0.000 2.498 249 A HA 0.403 4.719 4.320 -0.006 0.000 0.298 249 A C -0.701 176.952 177.584 0.114 0.000 1.075 249 A CA -0.723 51.372 52.037 0.095 0.000 0.714 249 A CB 1.031 20.059 19.000 0.047 0.000 1.299 249 A HN 0.733 nan 8.150 nan 0.000 0.407 250 C N 3.205 122.606 119.300 0.168 0.000 2.482 250 C HA 0.506 4.963 4.460 -0.006 0.000 0.378 250 C C -1.064 173.922 174.990 -0.007 0.000 1.284 250 C CA -1.314 57.785 59.018 0.136 0.000 1.826 250 C CB -0.061 27.847 27.740 0.280 0.000 2.473 250 C HN 0.667 nan 8.230 nan 0.000 0.562 251 P HA -0.068 nan 4.420 nan 0.000 0.223 251 P C -0.075 177.005 177.300 -0.366 0.000 1.144 251 P CA 1.532 64.382 63.100 -0.417 0.000 0.783 251 P CB -0.077 31.164 31.700 -0.765 0.000 0.771 252 Y N -2.371 117.981 120.300 0.087 0.000 2.481 252 Y HA 0.237 4.783 4.550 -0.006 0.000 0.247 252 Y C 1.594 177.625 175.900 0.219 0.000 1.151 252 Y CA -0.567 57.565 58.100 0.053 0.000 1.238 252 Y CB -0.522 37.787 38.460 -0.251 0.000 1.179 252 Y HN 0.133 nan 8.280 nan 0.000 0.524 253 C N -3.698 115.808 119.300 0.343 0.000 3.855 253 C HA 0.775 5.232 4.460 -0.006 0.000 0.293 253 C C 1.587 176.692 174.990 0.192 0.000 2.137 253 C CA -0.193 58.986 59.018 0.267 0.000 1.620 253 C CB 0.335 28.224 27.740 0.249 0.000 3.244 253 C HN 0.683 nan 8.230 nan 0.000 0.501 254 G N 1.804 110.703 108.800 0.165 0.000 3.909 254 G HA2 -0.339 3.618 3.960 -0.006 0.000 0.218 254 G HA3 -0.339 3.618 3.960 -0.006 0.000 0.218 254 G C 0.146 175.140 174.900 0.158 0.000 1.404 254 G CA 0.381 45.556 45.100 0.126 0.000 0.905 254 G HN 1.715 nan 8.290 nan 0.000 0.589 255 F N 3.127 123.101 119.950 0.040 0.000 1.991 255 F HA 0.225 4.748 4.527 -0.006 0.000 0.466 255 F C 0.727 176.552 175.800 0.042 0.000 0.832 255 F CA 1.252 59.271 58.000 0.032 0.000 1.007 255 F CB 0.002 39.018 39.000 0.026 0.000 0.782 255 F HN 0.656 nan 8.300 nan 0.000 0.503 256 S N 4.450 119.853 115.700 -0.494 0.000 2.759 256 S HA 0.764 5.231 4.470 -0.006 0.000 0.310 256 S C -0.117 174.154 174.600 -0.548 0.000 1.123 256 S CA -0.476 57.503 58.200 -0.369 0.000 0.959 256 S CB 1.659 64.766 63.200 -0.156 0.000 1.172 256 S HN 0.748 nan 8.310 nan 0.000 0.539 257 I N 0.633 121.051 120.570 -0.254 0.000 4.665 257 I HA 0.380 4.546 4.170 -0.006 0.000 0.360 257 I C 1.027 177.109 176.117 -0.059 0.000 1.259 257 I CA 1.264 62.445 61.300 -0.199 0.000 1.301 257 I CB -0.093 37.799 38.000 -0.181 0.000 1.746 257 I HN 1.000 nan 8.210 nan 0.000 0.598 258 G N 1.276 110.078 108.800 0.005 0.000 3.729 258 G HA2 -0.269 3.687 3.960 -0.006 0.000 0.327 258 G HA3 -0.269 3.687 3.960 -0.006 0.000 0.327 258 G C 0.274 175.266 174.900 0.153 0.000 1.293 258 G CA 0.695 45.827 45.100 0.054 0.000 1.011 258 G HN 0.404 nan 8.290 nan 0.000 0.673 259 E N 0.090 120.358 120.200 0.114 0.000 2.356 259 E HA 0.544 4.891 4.350 -0.006 0.000 0.275 259 E C -0.666 175.981 176.600 0.078 0.000 0.904 259 E CA -0.877 55.610 56.400 0.144 0.000 0.757 259 E CB 1.661 31.426 29.700 0.107 0.000 1.232 259 E HN 0.289 nan 8.360 nan 0.000 0.442 260 L N 2.375 123.652 121.223 0.090 0.000 2.278 260 L HA 0.373 4.709 4.340 -0.006 0.000 0.287 260 L C 0.278 177.226 176.870 0.130 0.000 1.072 260 L CA 0.453 55.358 54.840 0.109 0.000 0.819 260 L CB -0.166 41.980 42.059 0.145 0.000 1.176 260 L HN 0.482 nan 8.230 nan 0.000 0.435 261 E N 4.488 124.760 120.200 0.121 0.000 2.340 261 E HA 0.329 4.675 4.350 -0.006 0.000 0.273 261 E C -1.865 174.828 176.600 0.155 0.000 0.891 261 E CA -1.662 54.794 56.400 0.093 0.000 0.757 261 E CB 2.424 32.132 29.700 0.014 0.000 1.231 261 E HN 0.218 nan 8.360 nan 0.000 0.439 262 P HA -0.270 nan 4.420 nan 0.000 0.216 262 P C 1.073 178.453 177.300 0.133 0.000 1.157 262 P CA 1.589 64.781 63.100 0.155 0.000 0.880 262 P CB 0.030 31.742 31.700 0.020 0.000 0.791 263 R N -0.062 120.443 120.500 0.008 0.000 2.249 263 R HA -0.061 4.276 4.340 -0.006 0.000 0.230 263 R C 2.078 178.391 176.300 0.021 0.000 1.121 263 R CA 0.965 57.050 56.100 -0.025 0.000 0.997 263 R CB -1.574 28.627 30.300 -0.165 0.000 0.867 263 R HN 0.238 nan 8.270 nan 0.000 0.465 264 L N 0.327 121.525 121.223 -0.043 0.000 2.465 264 L HA 0.054 4.391 4.340 -0.006 0.000 0.224 264 L C 0.630 177.231 176.870 -0.448 0.000 1.145 264 L CA 0.877 55.575 54.840 -0.237 0.000 0.834 264 L CB 0.149 41.957 42.059 -0.418 0.000 0.944 264 L HN 0.154 nan 8.230 nan 0.000 0.451 265 F N -1.846 118.120 119.950 0.027 0.000 2.661 265 F HA 0.242 4.766 4.527 -0.005 0.000 0.306 265 F C 1.061 176.896 175.800 0.058 0.000 1.094 265 F CA -0.377 57.627 58.000 0.007 0.000 1.254 265 F CB 0.380 39.320 39.000 -0.099 0.000 1.040 265 F HN -0.119 nan 8.300 nan 0.000 0.562 266 S N 0.338 116.130 115.700 0.153 0.000 2.578 266 S HA 0.335 4.802 4.470 -0.006 0.000 0.283 266 S C 0.443 175.091 174.600 0.081 0.000 1.195 266 S CA -0.611 57.617 58.200 0.047 0.000 1.050 266 S CB 0.530 63.706 63.200 -0.040 0.000 1.012 266 S HN 0.277 nan 8.310 nan 0.000 0.511 267 F N 2.103 122.157 119.950 0.172 0.000 2.664 267 F HA 0.560 5.084 4.527 -0.006 0.000 0.303 267 F C 0.475 176.322 175.800 0.078 0.000 1.092 267 F CA -0.800 57.261 58.000 0.102 0.000 1.305 267 F CB -0.254 38.788 39.000 0.070 0.000 1.054 267 F HN 0.325 nan 8.300 nan 0.000 0.565 268 N N 0.939 119.626 118.700 -0.020 0.000 2.535 268 N HA 0.190 4.926 4.740 -0.006 0.000 0.294 268 N C -0.724 174.808 175.510 0.036 0.000 1.408 268 N CA 0.065 53.130 53.050 0.025 0.000 0.927 268 N CB 1.013 39.474 38.487 -0.044 0.000 1.276 268 N HN 0.206 nan 8.380 nan 0.000 0.505 269 S N 0.248 115.997 115.700 0.080 0.000 2.582 269 S HA 0.285 4.752 4.470 -0.006 0.000 0.287 269 S C -2.288 172.405 174.600 0.156 0.000 1.146 269 S CA -0.871 57.401 58.200 0.119 0.000 0.941 269 S CB 1.451 64.713 63.200 0.104 0.000 1.115 269 S HN -0.116 nan 8.310 nan 0.000 0.458 270 P HA -0.047 nan 4.420 nan 0.000 0.221 270 P C 1.207 178.533 177.300 0.043 0.000 1.145 270 P CA 1.005 64.150 63.100 0.077 0.000 0.795 270 P CB -0.167 31.550 31.700 0.028 0.000 0.775 271 F N 0.238 120.177 119.950 -0.017 0.000 2.307 271 F HA -0.034 4.490 4.527 -0.006 0.000 0.301 271 F C 2.393 178.156 175.800 -0.061 0.000 1.076 271 F CA 1.948 59.923 58.000 -0.041 0.000 1.383 271 F CB -0.750 38.223 39.000 -0.045 0.000 1.055 271 F HN 0.051 nan 8.300 nan 0.000 0.526 272 G N -1.776 107.099 108.800 0.125 0.000 2.626 272 G HA2 0.394 4.351 3.960 -0.006 0.000 0.193 272 G HA3 0.394 4.351 3.960 -0.006 0.000 0.193 272 G C 0.348 175.305 174.900 0.095 0.000 1.195 272 G CA 0.349 45.484 45.100 0.059 0.000 0.864 272 G HN 0.346 nan 8.290 nan 0.000 0.790 273 A N 0.251 123.145 122.820 0.123 0.000 2.483 273 A HA 0.423 4.740 4.320 -0.006 0.000 0.238 273 A C 0.787 178.425 177.584 0.090 0.000 1.070 273 A CA -0.003 52.123 52.037 0.148 0.000 0.770 273 A CB 0.039 19.131 19.000 0.153 0.000 1.008 273 A HN 0.736 nan 8.150 nan 0.000 0.497 274 C N 4.158 123.511 119.300 0.089 0.000 2.653 274 C HA 0.371 4.828 4.460 -0.006 0.000 0.421 274 C C -0.740 174.273 174.990 0.038 0.000 1.334 274 C CA -1.094 57.956 59.018 0.054 0.000 1.885 274 C CB -0.145 27.623 27.740 0.046 0.000 2.645 274 C HN 0.745 nan 8.230 nan 0.000 0.601 275 P HA -0.038 nan 4.420 nan 0.000 0.215 275 P C 0.929 178.239 177.300 0.016 0.000 1.157 275 P CA 1.466 64.575 63.100 0.015 0.000 0.859 275 P CB -0.013 31.691 31.700 0.006 0.000 0.786 276 D N -1.099 119.310 120.400 0.015 0.000 2.378 276 D HA -0.069 4.567 4.640 -0.006 0.000 0.222 276 D C 1.224 177.532 176.300 0.013 0.000 0.980 276 D CA 0.977 54.985 54.000 0.013 0.000 0.907 276 D CB -0.221 40.585 40.800 0.011 0.000 0.899 276 D HN 0.334 nan 8.370 nan 0.000 0.527 277 C N -2.173 117.136 119.300 0.015 0.000 4.015 277 C HA 0.245 4.702 4.460 -0.006 0.000 0.323 277 C C 0.257 175.260 174.990 0.021 0.000 1.724 277 C CA -0.490 58.535 59.018 0.013 0.000 1.828 277 C CB -0.080 27.659 27.740 -0.002 0.000 3.083 277 C HN 0.072 nan 8.230 nan 0.000 0.640 278 D N 1.710 122.129 120.400 0.032 0.000 2.812 278 D HA 0.038 4.675 4.640 -0.006 0.000 0.237 278 D C 1.267 177.610 176.300 0.070 0.000 1.162 278 D CA 1.809 55.839 54.000 0.050 0.000 0.740 278 D CB -1.314 39.513 40.800 0.045 0.000 1.000 278 D HN 1.929 nan 8.370 nan 0.000 0.416 279 G N 0.001 108.849 108.800 0.080 0.000 2.296 279 G HA2 -0.320 3.636 3.960 -0.006 0.000 0.282 279 G HA3 -0.320 3.636 3.960 -0.006 0.000 0.282 279 G C 1.109 175.999 174.900 -0.016 0.000 1.014 279 G CA 0.716 45.878 45.100 0.105 0.000 0.812 279 G HN 0.594 nan 8.290 nan 0.000 0.508 280 L N -1.362 119.835 121.223 -0.043 0.000 2.316 280 L HA 0.372 4.708 4.340 -0.006 0.000 0.207 280 L C 2.607 179.392 176.870 -0.141 0.000 1.070 280 L CA 0.976 55.766 54.840 -0.083 0.000 0.820 280 L CB -0.197 41.844 42.059 -0.029 0.000 0.992 280 L HN 0.858 nan 8.230 nan 0.000 0.466 281 G N 0.201 108.935 108.800 -0.111 0.000 2.267 281 G HA2 -0.289 3.668 3.960 -0.006 0.000 0.257 281 G HA3 -0.289 3.668 3.960 -0.006 0.000 0.257 281 G C 0.317 175.159 174.900 -0.097 0.000 0.998 281 G CA 0.162 45.190 45.100 -0.121 0.000 0.620 281 G HN 0.565 nan 8.290 nan 0.000 0.529 282 A N -0.307 122.468 122.820 -0.075 0.000 2.343 282 A HA 0.850 5.167 4.320 -0.006 0.000 0.316 282 A C 0.017 177.582 177.584 -0.031 0.000 1.104 282 A CA 0.199 52.203 52.037 -0.056 0.000 0.768 282 A CB 1.602 20.570 19.000 -0.054 0.000 1.213 282 A HN 0.376 nan 8.150 nan 0.000 0.456 283 K N 0.483 120.868 120.400 -0.026 0.000 2.627 283 K HA 0.746 5.063 4.320 -0.006 0.000 0.269 283 K C -0.941 175.653 176.600 -0.010 0.000 1.029 283 K CA -0.355 55.927 56.287 -0.008 0.000 1.026 283 K CB 0.590 33.084 32.500 -0.010 0.000 1.350 283 K HN 0.575 nan 8.250 nan 0.000 0.506 284 L N 1.968 123.188 121.223 -0.005 0.000 2.564 284 L HA 0.272 4.608 4.340 -0.006 0.000 0.259 284 L C -1.571 175.251 176.870 -0.079 0.000 1.101 284 L CA -0.089 54.727 54.840 -0.040 0.000 0.900 284 L CB 0.560 42.609 42.059 -0.017 0.000 1.110 284 L HN 0.801 nan 8.230 nan 0.000 0.468 285 E N 2.528 122.682 120.200 -0.076 0.000 2.336 285 E HA 0.498 4.845 4.350 -0.006 0.000 0.267 285 E C -0.877 175.674 176.600 -0.082 0.000 0.906 285 E CA -1.036 55.318 56.400 -0.076 0.000 0.781 285 E CB 2.444 32.128 29.700 -0.027 0.000 1.261 285 E HN 0.094 nan 8.360 nan 0.000 0.436 286 V N 2.050 121.918 119.914 -0.076 0.000 2.539 286 V HA -0.078 4.039 4.120 -0.006 0.000 0.300 286 V C 0.078 176.150 176.094 -0.038 0.000 1.019 286 V CA 0.642 62.906 62.300 -0.059 0.000 1.160 286 V CB 0.064 31.853 31.823 -0.056 0.000 0.901 286 V HN 0.683 nan 8.190 nan 0.000 0.481 287 D N 4.783 125.164 120.400 -0.032 0.000 2.249 287 D HA 0.205 4.842 4.640 -0.006 0.000 0.246 287 D C 0.864 177.149 176.300 -0.024 0.000 1.114 287 D CA -0.560 53.425 54.000 -0.024 0.000 0.854 287 D CB 1.441 42.225 40.800 -0.027 0.000 1.132 287 D HN 0.210 nan 8.370 nan 0.000 0.461 288 L N 3.085 124.294 121.223 -0.023 0.000 2.127 288 L HA -0.130 4.207 4.340 -0.006 0.000 0.211 288 L C 1.702 178.550 176.870 -0.036 0.000 1.089 288 L CA 1.311 56.128 54.840 -0.039 0.000 0.757 288 L CB -0.914 41.139 42.059 -0.011 0.000 0.899 288 L HN 0.544 nan 8.230 nan 0.000 0.434 289 D N -0.193 120.194 120.400 -0.022 0.000 2.178 289 D HA -0.139 4.497 4.640 -0.006 0.000 0.202 289 D C 2.107 178.402 176.300 -0.008 0.000 0.974 289 D CA 0.778 54.768 54.000 -0.018 0.000 0.841 289 D CB 0.314 41.104 40.800 -0.016 0.000 0.953 289 D HN 0.142 nan 8.370 nan 0.000 0.478 290 L N -0.297 120.929 121.223 0.004 0.000 2.270 290 L HA -0.016 4.321 4.340 -0.006 0.000 0.210 290 L C 2.411 179.342 176.870 0.101 0.000 1.104 290 L CA 0.508 55.373 54.840 0.041 0.000 0.804 290 L CB -0.437 41.644 42.059 0.036 0.000 0.937 290 L HN -0.061 nan 8.230 nan 0.000 0.450 291 V N 0.356 120.291 119.914 0.034 0.000 2.626 291 V HA -0.106 4.010 4.120 -0.006 0.000 0.252 291 V C 0.984 177.044 176.094 -0.056 0.000 1.067 291 V CA 1.161 63.437 62.300 -0.040 0.000 1.081 291 V CB -0.631 31.102 31.823 -0.149 0.000 0.686 291 V HN 0.428 nan 8.190 nan 0.000 0.468 292 I N -3.539 117.008 120.570 -0.038 0.000 2.493 292 I HA 0.409 4.576 4.170 -0.006 0.000 0.279 292 I C -2.094 174.015 176.117 -0.013 0.000 1.045 292 I CA -2.197 59.082 61.300 -0.036 0.000 1.106 292 I CB 1.680 39.644 38.000 -0.060 0.000 1.216 292 I HN -0.097 nan 8.210 nan 0.000 0.459 293 P HA -0.128 nan 4.420 nan 0.000 0.215 293 P C -0.091 177.203 177.300 -0.008 0.000 1.163 293 P CA 1.529 64.631 63.100 0.004 0.000 0.894 293 P CB 0.116 31.823 31.700 0.011 0.000 0.791 294 N N -1.340 117.352 118.700 -0.013 0.000 2.269 294 N HA 0.090 4.827 4.740 -0.006 0.000 0.304 294 N C -0.239 175.255 175.510 -0.026 0.000 1.072 294 N CA -0.466 52.571 53.050 -0.022 0.000 0.802 294 N CB 0.695 39.169 38.487 -0.021 0.000 1.348 294 N HN -0.198 nan 8.380 nan 0.000 0.484 295 D N 0.670 121.051 120.400 -0.031 0.000 2.332 295 D HA -0.047 4.589 4.640 -0.006 0.000 0.244 295 D C -0.603 175.679 176.300 -0.031 0.000 1.136 295 D CA 0.432 54.412 54.000 -0.033 0.000 0.884 295 D CB 0.018 40.798 40.800 -0.034 0.000 0.906 295 D HN 0.668 nan 8.370 nan 0.000 0.520 296 E N 0.009 120.192 120.200 -0.028 0.000 3.191 296 E HA 0.267 4.613 4.350 -0.006 0.000 0.303 296 E C -0.986 175.600 176.600 -0.022 0.000 1.197 296 E CA -0.491 55.894 56.400 -0.026 0.000 0.901 296 E CB -0.020 29.665 29.700 -0.026 0.000 1.446 296 E HN 0.041 nan 8.360 nan 0.000 0.385 297 L N 1.393 122.603 121.223 -0.021 0.000 2.431 297 L HA 0.473 4.810 4.340 -0.006 0.000 0.266 297 L C 0.232 177.091 176.870 -0.019 0.000 0.978 297 L CA -1.303 53.528 54.840 -0.016 0.000 0.822 297 L CB 2.399 44.454 42.059 -0.007 0.000 1.310 297 L HN 0.357 nan 8.230 nan 0.000 0.409 298 T N -0.454 114.088 114.554 -0.020 0.000 2.871 298 T HA 0.026 4.373 4.350 -0.006 0.000 0.296 298 T C 0.886 175.564 174.700 -0.037 0.000 0.998 298 T CA -0.428 61.655 62.100 -0.029 0.000 1.162 298 T CB 0.854 69.703 68.868 -0.031 0.000 0.947 298 T HN 0.478 nan 8.240 nan 0.000 0.536 299 L N 2.423 123.622 121.223 -0.040 0.000 2.291 299 L HA 0.115 4.452 4.340 -0.006 0.000 0.214 299 L C 2.382 179.208 176.870 -0.074 0.000 1.120 299 L CA 1.575 56.388 54.840 -0.044 0.000 0.799 299 L CB -0.804 41.233 42.059 -0.038 0.000 0.925 299 L HN 0.861 nan 8.230 nan 0.000 0.446 300 K N -0.311 120.039 120.400 -0.083 0.000 2.148 300 K HA -0.186 4.130 4.320 -0.006 0.000 0.204 300 K C 0.862 177.322 176.600 -0.232 0.000 1.050 300 K CA 1.298 57.515 56.287 -0.117 0.000 0.942 300 K CB 0.101 32.556 32.500 -0.074 0.000 0.724 300 K HN 0.196 nan 8.250 nan 0.000 0.446 301 E N 0.834 120.917 120.200 -0.195 0.000 2.598 301 E HA 0.024 4.371 4.350 -0.006 0.000 0.233 301 E C -1.342 175.170 176.600 -0.147 0.000 1.173 301 E CA -0.259 56.006 56.400 -0.226 0.000 1.473 301 E CB -0.502 29.161 29.700 -0.061 0.000 1.398 301 E HN 0.236 nan 8.360 nan 0.000 0.431 302 H N -0.820 118.268 119.070 0.029 0.000 2.905 302 H HA -0.195 4.357 4.556 -0.006 0.000 0.331 302 H C 0.786 176.120 175.328 0.010 0.000 1.078 302 H CA 0.672 56.740 56.048 0.033 0.000 1.084 302 H CB -1.644 28.147 29.762 0.048 0.000 1.617 302 H HN 0.394 nan 8.280 nan 0.000 0.383 303 A N 2.547 125.398 122.820 0.053 0.000 1.897 303 A HA 0.028 4.344 4.320 -0.006 0.000 0.215 303 A C 1.609 179.191 177.584 -0.003 0.000 1.181 303 A CA 1.008 53.052 52.037 0.012 0.000 0.620 303 A CB 0.040 19.026 19.000 -0.023 0.000 0.821 303 A HN 0.624 nan 8.150 nan 0.000 0.443 304 I N -3.206 117.348 120.570 -0.026 0.000 2.396 304 I HA 0.554 4.720 4.170 -0.006 0.000 0.289 304 I C 1.006 177.099 176.117 -0.041 0.000 1.056 304 I CA -0.108 61.135 61.300 -0.096 0.000 1.365 304 I CB 1.134 38.988 38.000 -0.242 0.000 1.407 304 I HN 0.089 nan 8.210 nan 0.000 0.509 305 A N 8.466 131.258 122.820 -0.048 0.000 1.873 305 A HA 0.068 4.384 4.320 -0.006 0.000 0.215 305 A C 0.098 177.609 177.584 -0.123 0.000 1.186 305 A CA 1.132 53.175 52.037 0.009 0.000 0.616 305 A CB -1.843 17.252 19.000 0.157 0.000 0.823 305 A HN 0.798 nan 8.150 nan 0.000 0.442 306 P HA -0.162 nan 4.420 nan 0.000 0.215 306 P C -0.060 177.168 177.300 -0.122 0.000 1.157 306 P CA 0.998 63.662 63.100 -0.728 0.000 0.874 306 P CB -0.360 30.864 31.700 -0.794 0.000 0.790 307 W N 2.121 123.231 121.300 -0.316 0.000 1.606 307 W HA 0.411 5.068 4.660 -0.006 0.000 0.455 307 W C 0.344 176.810 176.519 -0.088 0.000 0.711 307 W CA -0.496 56.737 57.345 -0.186 0.000 1.876 307 W CB -0.954 28.463 29.460 -0.072 0.000 1.776 307 W HN 0.094 nan 8.180 nan 0.000 0.229 308 E N 1.839 122.060 120.200 0.036 0.000 2.263 308 E HA 0.350 4.697 4.350 -0.006 0.000 0.268 308 E C -1.831 174.704 176.600 -0.107 0.000 0.884 308 E CA -1.817 54.513 56.400 -0.115 0.000 0.766 308 E CB 1.559 31.195 29.700 -0.107 0.000 1.196 308 E HN -0.084 nan 8.360 nan 0.000 0.416 315 Y N 1.840 122.028 120.300 -0.186 0.000 2.224 315 Y HA -0.027 4.520 4.550 -0.006 0.000 0.289 315 Y C -0.873 174.932 175.900 -0.158 0.000 1.146 315 Y CA 2.013 59.826 58.100 -0.479 0.000 1.182 315 Y CB -1.811 36.275 38.460 -0.622 0.000 0.983 315 Y HN 0.223 nan 8.280 nan 0.000 0.524 316 P HA -0.166 nan 4.420 nan 0.000 0.216 316 P C 0.998 178.368 177.300 0.116 0.000 1.153 316 P CA 1.739 64.962 63.100 0.205 0.000 0.848 316 P CB -0.024 31.820 31.700 0.240 0.000 0.787 317 Q N -1.024 118.811 119.800 0.058 0.000 2.291 317 Q HA -0.060 4.276 4.340 -0.006 0.000 0.205 317 Q C 2.111 178.158 176.000 0.080 0.000 0.970 317 Q CA 0.642 56.498 55.803 0.087 0.000 0.876 317 Q CB -0.546 28.271 28.738 0.132 0.000 0.935 317 Q HN 0.277 nan 8.270 nan 0.000 0.455 318 L N 0.338 121.469 121.223 -0.155 0.000 2.109 318 L HA -0.154 4.183 4.340 -0.006 0.000 0.207 318 L C 2.037 178.811 176.870 -0.161 0.000 1.086 318 L CA 0.676 55.248 54.840 -0.446 0.000 0.760 318 L CB -0.042 41.503 42.059 -0.857 0.000 0.910 318 L HN 0.285 nan 8.230 nan 0.000 0.437 319 L N -0.101 121.160 121.223 0.064 0.000 1.990 319 L HA -0.320 4.017 4.340 -0.006 0.000 0.213 319 L C 2.540 179.413 176.870 0.005 0.000 1.072 319 L CA 1.904 56.790 54.840 0.077 0.000 0.755 319 L CB -0.543 41.598 42.059 0.136 0.000 0.889 319 L HN 0.383 nan 8.230 nan 0.000 0.432 320 E N -0.164 120.058 120.200 0.037 0.000 2.114 320 E HA -0.308 4.039 4.350 -0.006 0.000 0.199 320 E C 2.080 178.710 176.600 0.050 0.000 1.008 320 E CA 1.468 57.897 56.400 0.048 0.000 0.810 320 E CB -0.009 29.734 29.700 0.072 0.000 0.739 320 E HN 0.525 nan 8.360 nan 0.000 0.456 321 A N 0.104 122.950 122.820 0.043 0.000 1.897 321 A HA -0.092 4.224 4.320 -0.006 0.000 0.215 321 A C 2.334 179.888 177.584 -0.051 0.000 1.181 321 A CA 1.233 53.300 52.037 0.051 0.000 0.620 321 A CB -0.372 18.710 19.000 0.137 0.000 0.821 321 A HN 0.217 nan 8.150 nan 0.000 0.443 322 V N -0.886 118.909 119.914 -0.197 0.000 2.809 322 V HA -0.230 3.886 4.120 -0.006 0.000 0.256 322 V C 2.395 178.524 176.094 0.057 0.000 1.080 322 V CA 1.484 63.662 62.300 -0.204 0.000 1.102 322 V CB -1.046 30.455 31.823 -0.536 0.000 0.705 322 V HN 0.716 nan 8.190 nan 0.000 0.475 323 C N -0.320 119.000 119.300 0.033 0.000 3.244 323 C HA -0.047 4.409 4.460 -0.006 0.000 0.291 323 C C 2.770 177.814 174.990 0.090 0.000 1.295 323 C CA 0.548 59.609 59.018 0.071 0.000 1.739 323 C CB -0.933 26.829 27.740 0.037 0.000 2.165 323 C HN 0.476 nan 8.230 nan 0.000 0.497 324 R N 0.043 120.584 120.500 0.068 0.000 2.265 324 R HA -0.290 4.047 4.340 -0.006 0.000 0.256 324 R C 2.296 178.625 176.300 0.049 0.000 1.120 324 R CA 2.447 58.584 56.100 0.061 0.000 0.956 324 R CB -0.991 29.358 30.300 0.082 0.000 0.925 324 R HN 0.708 nan 8.270 nan 0.000 0.448 325 H N -0.288 118.756 119.070 -0.043 0.000 2.256 325 H HA -0.150 4.403 4.556 -0.006 0.000 0.299 325 H C 1.808 177.031 175.328 -0.175 0.000 1.071 325 H CA 2.135 58.094 56.048 -0.147 0.000 1.280 325 H CB -0.315 29.290 29.762 -0.262 0.000 1.370 325 H HN 0.309 nan 8.280 nan 0.000 0.490 326 Y N -0.176 120.212 120.300 0.147 0.000 2.516 326 Y HA 0.070 4.617 4.550 -0.006 0.000 0.291 326 Y C 1.744 177.644 175.900 0.000 0.000 1.131 326 Y CA 0.575 58.718 58.100 0.072 0.000 1.281 326 Y CB 0.282 38.807 38.460 0.108 0.000 1.013 326 Y HN 0.570 nan 8.280 nan 0.000 0.554 327 G N 1.261 110.133 108.800 0.120 0.000 2.248 327 G HA2 -0.271 3.686 3.960 -0.006 0.000 0.252 327 G HA3 -0.271 3.686 3.960 -0.006 0.000 0.252 327 G C -0.264 174.675 174.900 0.064 0.000 1.085 327 G CA -0.177 44.961 45.100 0.062 0.000 0.845 327 G HN 0.294 nan 8.290 nan 0.000 0.494 328 I N 1.609 122.223 120.570 0.074 0.000 2.342 328 I HA 0.301 4.467 4.170 -0.006 0.000 0.291 328 I C -0.836 175.294 176.117 0.022 0.000 1.010 328 I CA -2.179 59.146 61.300 0.041 0.000 1.308 328 I CB 1.028 39.047 38.000 0.033 0.000 1.400 328 I HN 0.022 nan 8.210 nan 0.000 0.488 332 V N 2.504 122.404 119.914 -0.023 0.000 2.711 332 V HA 0.509 4.625 4.120 -0.006 0.000 0.304 332 V C -2.435 173.644 176.094 -0.025 0.000 1.097 332 V CA -1.486 60.800 62.300 -0.022 0.000 0.906 332 V CB 3.109 34.918 31.823 -0.023 0.000 1.015 332 V HN 0.159 nan 8.190 nan 0.000 0.427 333 P HA 0.226 nan 4.420 nan 0.000 0.274 333 P C 1.069 178.354 177.300 -0.026 0.000 1.504 333 P CA 0.024 63.110 63.100 -0.024 0.000 1.011 333 P CB 1.333 33.021 31.700 -0.021 0.000 1.366 334 V N 3.065 122.960 119.914 -0.031 0.000 2.313 334 V HA -0.349 3.768 4.120 -0.006 0.000 0.261 334 V C 2.631 178.706 176.094 -0.031 0.000 1.096 334 V CA 2.010 64.288 62.300 -0.035 0.000 1.090 334 V CB -0.986 30.812 31.823 -0.043 0.000 0.683 334 V HN 0.533 nan 8.190 nan 0.000 0.452 335 K N 0.058 120.441 120.400 -0.029 0.000 2.059 335 K HA -0.241 4.075 4.320 -0.006 0.000 0.212 335 K C 1.619 178.205 176.600 -0.023 0.000 1.050 335 K CA 2.277 58.548 56.287 -0.026 0.000 0.927 335 K CB -0.602 31.883 32.500 -0.025 0.000 0.714 335 K HN 0.580 nan 8.250 nan 0.000 0.447 336 D N 0.279 120.666 120.400 -0.022 0.000 2.349 336 D HA 0.029 4.665 4.640 -0.006 0.000 0.224 336 D C 0.311 176.600 176.300 -0.018 0.000 1.029 336 D CA 0.102 54.090 54.000 -0.019 0.000 0.879 336 D CB 0.047 40.837 40.800 -0.017 0.000 0.906 336 D HN 0.148 nan 8.370 nan 0.000 0.528 337 L N 2.078 123.288 121.223 -0.021 0.000 2.410 337 L HA 0.172 4.509 4.340 -0.006 0.000 0.273 337 L C -1.761 175.097 176.870 -0.020 0.000 1.152 337 L CA -1.591 53.236 54.840 -0.022 0.000 0.855 337 L CB 0.105 42.147 42.059 -0.028 0.000 1.129 337 L HN -0.244 nan 8.230 nan 0.000 0.463 338 P HA -0.060 nan 4.420 nan 0.000 0.267 338 P C 0.324 177.612 177.300 -0.020 0.000 1.201 338 P CA -0.049 63.042 63.100 -0.016 0.000 0.775 338 P CB 0.622 32.315 31.700 -0.013 0.000 0.854 339 K N 1.555 121.944 120.400 -0.017 0.000 2.097 339 K HA -0.172 4.145 4.320 -0.006 0.000 0.205 339 K C 1.587 178.176 176.600 -0.020 0.000 1.050 339 K CA 1.242 57.520 56.287 -0.016 0.000 0.938 339 K CB 0.003 32.495 32.500 -0.014 0.000 0.718 339 K HN 0.344 nan 8.250 nan 0.000 0.442 340 E N 0.561 120.745 120.200 -0.027 0.000 2.106 340 E HA -0.169 4.178 4.350 -0.006 0.000 0.192 340 E C 2.067 178.620 176.600 -0.078 0.000 0.984 340 E CA 0.867 57.241 56.400 -0.043 0.000 0.806 340 E CB 0.042 29.721 29.700 -0.034 0.000 0.750 340 E HN 0.382 nan 8.360 nan 0.000 0.458 341 Q N 0.144 119.907 119.800 -0.062 0.000 2.124 341 Q HA -0.140 4.197 4.340 -0.006 0.000 0.202 341 Q C 2.290 178.237 176.000 -0.089 0.000 0.977 341 Q CA 0.782 56.540 55.803 -0.075 0.000 0.850 341 Q CB -0.321 28.395 28.738 -0.036 0.000 0.901 341 Q HN 0.207 nan 8.270 nan 0.000 0.429 342 L N 1.093 122.278 121.223 -0.062 0.000 2.179 342 L HA -0.073 4.264 4.340 -0.006 0.000 0.208 342 L C 1.353 178.194 176.870 -0.048 0.000 1.096 342 L CA 1.491 56.294 54.840 -0.062 0.000 0.779 342 L CB -0.236 41.797 42.059 -0.043 0.000 0.922 342 L HN -0.019 nan 8.230 nan 0.000 0.443 343 D N -0.459 119.939 120.400 -0.004 0.000 2.117 343 D HA -0.141 4.496 4.640 -0.006 0.000 0.198 343 D C 2.041 178.367 176.300 0.044 0.000 0.982 343 D CA 0.846 54.908 54.000 0.103 0.000 0.828 343 D CB 0.030 40.876 40.800 0.075 0.000 0.967 343 D HN 0.181 nan 8.370 nan 0.000 0.464 344 K N 0.816 121.154 120.400 -0.103 0.000 2.026 344 K HA -0.083 4.234 4.320 -0.006 0.000 0.208 344 K C 2.333 178.930 176.600 -0.006 0.000 1.048 344 K CA 0.341 56.521 56.287 -0.177 0.000 0.929 344 K CB -0.713 31.377 32.500 -0.683 0.000 0.713 344 K HN 0.281 nan 8.250 nan 0.000 0.439 345 I N 0.454 120.995 120.570 -0.048 0.000 2.315 345 I HA -0.246 3.920 4.170 -0.006 0.000 0.248 345 I C 1.544 177.598 176.117 -0.105 0.000 1.117 345 I CA 1.051 62.359 61.300 0.013 0.000 1.404 345 I CB 0.168 38.112 38.000 -0.093 0.000 1.071 345 I HN -0.020 nan 8.210 nan 0.000 0.419 346 L N -0.603 120.476 121.223 -0.240 0.000 2.202 346 L HA -0.050 4.287 4.340 -0.006 0.000 0.205 346 L C 1.530 177.994 176.870 -0.675 0.000 1.083 346 L CA 1.520 56.042 54.840 -0.531 0.000 0.790 346 L CB -0.610 41.028 42.059 -0.702 0.000 0.942 346 L HN 0.196 nan 8.230 nan 0.000 0.452 347 Y N -0.756 119.482 120.300 -0.103 0.000 2.445 347 Y HA 0.582 5.129 4.550 -0.006 0.000 0.247 347 Y C 1.231 177.073 175.900 -0.097 0.000 1.129 347 Y CA -0.101 57.941 58.100 -0.098 0.000 1.251 347 Y CB 0.196 38.611 38.460 -0.075 0.000 1.176 347 Y HN 0.057 nan 8.280 nan 0.000 0.522 348 G N 0.173 108.983 108.800 0.016 0.000 2.663 348 G HA2 -0.197 3.760 3.960 -0.006 0.000 0.686 348 G HA3 -0.197 3.760 3.960 -0.006 0.000 0.686 348 G C 0.654 175.628 174.900 0.124 0.000 1.246 348 G CA -0.218 44.887 45.100 0.009 0.000 0.795 348 G HN 0.366 nan 8.290 nan 0.000 0.627 349 S N -0.131 115.704 115.700 0.224 0.000 2.515 349 S HA 0.342 4.808 4.470 -0.006 0.000 0.231 349 S C 2.227 176.921 174.600 0.157 0.000 0.987 349 S CA 1.335 59.687 58.200 0.253 0.000 0.936 349 S CB -0.021 63.373 63.200 0.323 0.000 0.766 349 S HN 2.838 nan 8.310 nan 0.000 0.528 350 G N 0.421 109.282 108.800 0.101 0.000 2.225 350 G HA2 0.155 4.112 3.960 -0.006 0.000 0.264 350 G HA3 0.155 4.112 3.960 -0.006 0.000 0.264 350 G C 0.985 175.927 174.900 0.071 0.000 1.060 350 G CA 0.455 45.598 45.100 0.071 0.000 0.833 350 G HN 1.775 nan 8.290 nan 0.000 0.498 351 G N -0.977 107.866 108.800 0.072 0.000 2.313 351 G HA2 -0.201 3.756 3.960 -0.006 0.000 0.215 351 G HA3 -0.201 3.756 3.960 -0.006 0.000 0.215 351 G C 0.329 175.270 174.900 0.068 0.000 1.023 351 G CA 0.907 46.046 45.100 0.066 0.000 0.626 351 G HN 1.514 nan 8.290 nan 0.000 0.503 352 E N 2.774 123.022 120.200 0.080 0.000 2.465 352 E HA 0.333 4.680 4.350 -0.006 0.000 0.260 352 E C -2.145 174.447 176.600 -0.012 0.000 0.980 352 E CA -1.118 55.317 56.400 0.058 0.000 0.927 352 E CB 0.637 30.394 29.700 0.096 0.000 0.934 352 E HN 0.233 nan 8.360 nan 0.000 0.459 353 P HA 0.146 nan 4.420 nan 0.000 0.276 353 P C -0.900 176.183 177.300 -0.363 0.000 1.230 353 P CA -0.100 62.858 63.100 -0.236 0.000 0.776 353 P CB 0.524 32.008 31.700 -0.361 0.000 0.888 354 I N 3.325 123.665 120.570 -0.384 0.000 2.406 354 I HA 0.224 4.391 4.170 -0.006 0.000 0.290 354 I C -0.178 175.808 176.117 -0.219 0.000 0.999 354 I CA -1.235 59.804 61.300 -0.435 0.000 1.124 354 I CB 0.990 38.719 38.000 -0.451 0.000 1.289 354 I HN 0.417 nan 8.210 nan 0.000 0.441 355 Y N 7.313 127.512 120.300 -0.167 0.000 2.465 355 Y HA 0.252 4.798 4.550 -0.006 0.000 0.331 355 Y C -1.062 174.910 175.900 0.119 0.000 1.102 355 Y CA 0.121 58.215 58.100 -0.009 0.000 1.358 355 Y CB 0.450 38.946 38.460 0.060 0.000 1.213 355 Y HN 0.423 nan 8.280 nan 0.000 0.525 356 F N 8.050 127.628 119.950 -0.620 0.000 2.612 356 F HA 0.494 5.018 4.527 -0.005 0.000 0.332 356 F C -1.493 174.064 175.800 -0.404 0.000 1.167 356 F CA -1.067 56.687 58.000 -0.409 0.000 0.970 356 F CB 0.846 39.708 39.000 -0.229 0.000 1.234 356 F HN 0.583 nan 8.300 nan 0.000 0.453 357 R N 5.251 125.309 120.500 -0.737 0.000 2.637 357 R HA 0.790 5.127 4.340 -0.006 0.000 0.291 357 R C -2.019 173.981 176.300 -0.501 0.000 0.963 357 R CA -0.792 54.952 56.100 -0.594 0.000 0.901 357 R CB 2.151 32.284 30.300 -0.278 0.000 1.160 357 R HN 0.728 nan 8.270 nan 0.000 0.457 358 Y N -2.180 117.761 120.300 -0.598 0.000 2.552 358 Y HA 0.468 5.015 4.550 -0.006 0.000 0.337 358 Y C -1.414 174.392 175.900 -0.156 0.000 1.094 358 Y CA -1.230 56.658 58.100 -0.354 0.000 1.028 358 Y CB 1.897 40.119 38.460 -0.396 0.000 1.321 358 Y HN 0.511 nan 8.280 nan 0.000 0.456 359 T N 3.761 118.296 114.554 -0.031 0.000 2.771 359 T HA 0.263 4.610 4.350 -0.006 0.000 0.291 359 T C -0.220 174.517 174.700 0.062 0.000 0.954 359 T CA -0.667 61.404 62.100 -0.048 0.000 1.045 359 T CB 0.138 69.011 68.868 0.009 0.000 0.917 359 T HN 0.559 nan 8.240 nan 0.000 0.484 360 N N 2.293 121.007 118.700 0.023 0.000 2.288 360 N HA 0.077 4.813 4.740 -0.006 0.000 0.237 360 N C 0.927 176.531 175.510 0.156 0.000 1.311 360 N CA -0.565 52.586 53.050 0.167 0.000 0.909 360 N CB 0.361 38.974 38.487 0.212 0.000 1.167 360 N HN 0.483 nan 8.380 nan 0.000 0.476 361 D N -0.227 120.251 120.400 0.130 0.000 2.178 361 D HA -0.082 4.555 4.640 -0.006 0.000 0.201 361 D C 1.569 177.816 176.300 -0.089 0.000 0.980 361 D CA 1.072 55.055 54.000 -0.028 0.000 0.842 361 D CB -0.216 40.492 40.800 -0.152 0.000 0.948 361 D HN 0.432 nan 8.370 nan 0.000 0.472 362 F N -0.113 119.846 119.950 0.014 0.000 2.146 362 F HA 0.084 4.608 4.527 -0.006 0.000 0.298 362 F C 2.288 178.085 175.800 -0.005 0.000 1.096 362 F CA 1.355 59.356 58.000 0.001 0.000 1.275 362 F CB -0.176 38.819 39.000 -0.009 0.000 1.008 362 F HN 0.153 nan 8.300 nan 0.000 0.480 363 G N -0.972 107.935 108.800 0.179 0.000 2.485 363 G HA2 -0.139 3.817 3.960 -0.006 0.000 0.181 363 G HA3 -0.139 3.817 3.960 -0.006 0.000 0.181 363 G C 0.005 174.926 174.900 0.035 0.000 0.999 363 G CA -0.122 45.027 45.100 0.082 0.000 0.721 363 G HN 0.425 nan 8.290 nan 0.000 0.486 364 Q N 0.885 120.701 119.800 0.027 0.000 2.293 364 Q HA 0.719 5.055 4.340 -0.006 0.000 0.251 364 Q C 0.058 175.985 176.000 -0.122 0.000 0.930 364 Q CA -0.619 55.156 55.803 -0.047 0.000 0.893 364 Q CB 2.674 31.372 28.738 -0.067 0.000 1.215 364 Q HN 0.491 nan 8.270 nan 0.000 0.425 365 V N 2.755 122.583 119.914 -0.143 0.000 2.732 365 V HA 0.384 4.501 4.120 -0.006 0.000 0.297 365 V C -0.527 175.389 176.094 -0.297 0.000 1.060 365 V CA -0.381 61.784 62.300 -0.226 0.000 1.038 365 V CB 1.235 32.970 31.823 -0.146 0.000 1.003 365 V HN 0.958 nan 8.190 nan 0.000 0.481 366 R N 4.613 124.829 120.500 -0.474 0.000 2.810 366 R HA 0.285 4.622 4.340 -0.006 0.000 0.280 366 R C -0.548 175.518 176.300 -0.390 0.000 1.517 366 R CA -0.445 55.403 56.100 -0.421 0.000 1.063 366 R CB 0.949 30.967 30.300 -0.469 0.000 1.275 366 R HN 0.944 nan 8.270 nan 0.000 0.464 367 E N 3.526 123.594 120.200 -0.220 0.000 2.316 367 E HA 0.098 4.445 4.350 -0.006 0.000 0.275 367 E C -0.829 175.719 176.600 -0.087 0.000 1.029 367 E CA -0.368 55.911 56.400 -0.202 0.000 0.871 367 E CB 1.793 31.451 29.700 -0.070 0.000 1.022 367 E HN 0.508 nan 8.360 nan 0.000 0.418 368 Q N 2.438 122.187 119.800 -0.084 0.000 2.873 368 Q HA 0.303 4.640 4.340 -0.006 0.000 0.297 368 Q C -1.622 174.481 176.000 0.171 0.000 1.064 368 Q CA -1.082 54.780 55.803 0.098 0.000 0.816 368 Q CB 1.579 30.440 28.738 0.206 0.000 1.481 368 Q HN 0.757 nan 8.270 nan 0.000 0.488 369 Y N 1.491 121.838 120.300 0.078 0.000 2.624 369 Y HA 0.312 4.859 4.550 -0.006 0.000 0.302 369 Y C -0.572 175.390 175.900 0.103 0.000 0.939 369 Y CA -0.631 57.527 58.100 0.096 0.000 1.116 369 Y CB 0.427 38.949 38.460 0.103 0.000 1.173 369 Y HN 0.517 nan 8.280 nan 0.000 0.631 370 I N -0.188 120.451 120.570 0.115 0.000 3.004 370 I HA 0.602 4.769 4.170 -0.006 0.000 0.287 370 I C 0.299 176.438 176.117 0.036 0.000 1.144 370 I CA -0.340 61.020 61.300 0.100 0.000 1.353 370 I CB 1.312 39.388 38.000 0.127 0.000 1.417 370 I HN 0.334 nan 8.210 nan 0.000 0.602 371 A N 4.804 127.666 122.820 0.070 0.000 2.969 371 A HA 0.349 4.666 4.320 -0.006 0.000 0.328 371 A C -0.189 177.458 177.584 0.104 0.000 1.355 371 A CA -0.517 51.561 52.037 0.067 0.000 1.018 371 A CB -0.823 18.215 19.000 0.063 0.000 1.159 371 A HN 0.625 nan 8.150 nan 0.000 0.505 372 F N 2.228 122.153 119.950 -0.042 0.000 2.480 372 F HA -0.192 4.332 4.527 -0.006 0.000 0.409 372 F C 1.546 177.357 175.800 0.019 0.000 0.979 372 F CA 1.412 59.397 58.000 -0.025 0.000 1.184 372 F CB 0.694 39.672 39.000 -0.036 0.000 0.925 372 F HN 0.767 nan 8.300 nan 0.000 0.543 373 E N 4.334 124.187 120.200 -0.578 0.000 2.216 373 E HA 0.412 4.759 4.350 -0.006 0.000 0.192 373 E C 1.048 177.292 176.600 -0.593 0.000 0.973 373 E CA 0.432 56.575 56.400 -0.428 0.000 0.851 373 E CB -0.025 29.537 29.700 -0.230 0.000 0.804 373 E HN 0.904 nan 8.360 nan 0.000 0.477 374 G N -0.176 107.905 108.800 -1.199 0.000 2.440 374 G HA2 -0.176 3.781 3.960 -0.006 0.000 0.684 374 G HA3 -0.176 3.781 3.960 -0.006 0.000 0.684 374 G C 0.238 174.895 174.900 -0.405 0.000 1.309 374 G CA -0.395 44.255 45.100 -0.749 0.000 0.931 374 G HN 0.044 nan 8.290 nan 0.000 0.612 375 V N 1.016 120.685 119.914 -0.409 0.000 2.649 375 V HA 0.019 4.135 4.120 -0.006 0.000 0.248 375 V C 2.687 178.572 176.094 -0.348 0.000 1.054 375 V CA 1.658 63.625 62.300 -0.554 0.000 1.073 375 V CB -0.492 30.762 31.823 -0.948 0.000 0.699 375 V HN 0.643 nan 8.190 nan 0.000 0.463 376 I N 0.450 120.801 120.570 -0.365 0.000 2.235 376 I HA -0.026 4.140 4.170 -0.006 0.000 0.241 376 I C -0.008 176.032 176.117 -0.128 0.000 1.085 376 I CA 1.318 62.455 61.300 -0.271 0.000 1.378 376 I CB -2.609 35.168 38.000 -0.373 0.000 1.076 376 I HN 0.329 nan 8.210 nan 0.000 0.415 377 P HA -0.112 nan 4.420 nan 0.000 0.222 377 P C 1.432 178.725 177.300 -0.012 0.000 1.147 377 P CA 1.148 64.223 63.100 -0.041 0.000 0.790 377 P CB -0.178 31.492 31.700 -0.051 0.000 0.780 378 N N 0.310 119.011 118.700 0.001 0.000 2.043 378 N HA -0.138 4.599 4.740 -0.006 0.000 0.193 378 N C 1.547 177.103 175.510 0.077 0.000 1.037 378 N CA 1.627 54.732 53.050 0.093 0.000 0.851 378 N CB -0.947 37.721 38.487 0.301 0.000 1.027 378 N HN -0.063 nan 8.380 nan 0.000 0.422 379 V N 1.084 121.028 119.914 0.050 0.000 2.261 379 V HA -0.184 3.933 4.120 -0.006 0.000 0.246 379 V C 2.552 178.692 176.094 0.076 0.000 1.047 379 V CA 2.200 64.521 62.300 0.036 0.000 1.015 379 V CB -0.847 30.964 31.823 -0.020 0.000 0.642 379 V HN 0.389 nan 8.190 nan 0.000 0.446 380 E N 0.540 120.775 120.200 0.059 0.000 2.085 380 E HA -0.243 4.104 4.350 -0.006 0.000 0.194 380 E C 2.370 179.060 176.600 0.151 0.000 0.994 380 E CA 1.450 57.918 56.400 0.113 0.000 0.801 380 E CB -0.322 29.418 29.700 0.067 0.000 0.743 380 E HN 0.309 nan 8.360 nan 0.000 0.453 381 R N 0.405 120.958 120.500 0.089 0.000 2.090 381 R HA 0.010 4.347 4.340 -0.006 0.000 0.228 381 R C 2.302 178.641 176.300 0.065 0.000 1.110 381 R CA 1.359 57.497 56.100 0.065 0.000 0.973 381 R CB -0.299 30.024 30.300 0.039 0.000 0.869 381 R HN 0.166 nan 8.270 nan 0.000 0.440 382 R N -0.624 119.923 120.500 0.079 0.000 2.193 382 R HA -0.138 4.198 4.340 -0.006 0.000 0.213 382 R C 1.953 178.305 176.300 0.086 0.000 1.055 382 R CA 1.013 57.151 56.100 0.064 0.000 0.995 382 R CB -0.161 30.168 30.300 0.049 0.000 0.893 382 R HN 0.247 nan 8.270 nan 0.000 0.459 383 Y N 0.491 120.790 120.300 -0.003 0.000 2.269 383 Y HA -0.042 4.504 4.550 -0.006 0.000 0.294 383 Y C 2.319 178.218 175.900 -0.001 0.000 1.120 383 Y CA 1.217 59.315 58.100 -0.004 0.000 1.159 383 Y CB -0.161 38.301 38.460 0.003 0.000 1.024 383 Y HN -0.157 nan 8.280 nan 0.000 0.532 384 R N 0.684 121.083 120.500 -0.168 0.000 2.075 384 R HA -0.139 4.197 4.340 -0.006 0.000 0.232 384 R C 1.889 178.084 176.300 -0.175 0.000 1.126 384 R CA 1.988 57.939 56.100 -0.249 0.000 0.963 384 R CB -0.210 30.069 30.300 -0.035 0.000 0.858 384 R HN 0.516 nan 8.270 nan 0.000 0.435 385 E N -0.234 119.913 120.200 -0.087 0.000 2.152 385 E HA -0.036 4.310 4.350 -0.006 0.000 0.192 385 E C 0.118 176.681 176.600 -0.062 0.000 0.983 385 E CA 0.841 57.206 56.400 -0.057 0.000 0.818 385 E CB 0.114 29.801 29.700 -0.022 0.000 0.758 385 E HN 0.246 nan 8.360 nan 0.000 0.467 386 T N 0.118 114.629 114.554 -0.072 0.000 2.910 386 T HA 0.114 4.461 4.350 -0.006 0.000 0.293 386 T C 0.396 175.051 174.700 -0.075 0.000 1.015 386 T CA -0.150 61.919 62.100 -0.052 0.000 1.094 386 T CB 1.521 70.372 68.868 -0.028 0.000 0.968 386 T HN -0.125 nan 8.240 nan 0.000 0.521 387 S N 1.900 117.576 115.700 -0.041 0.000 2.449 387 S HA 0.364 4.831 4.470 -0.006 0.000 0.237 387 S C -0.036 174.559 174.600 -0.008 0.000 1.214 387 S CA -0.613 57.564 58.200 -0.038 0.000 1.226 387 S CB -0.206 62.977 63.200 -0.028 0.000 0.904 387 S HN 0.590 nan 8.310 nan 0.000 0.490 388 S N 0.720 116.423 115.700 0.004 0.000 2.552 388 S HA 0.350 4.817 4.470 -0.006 0.000 0.314 388 S C 0.238 174.873 174.600 0.059 0.000 1.099 388 S CA -0.631 57.599 58.200 0.051 0.000 1.070 388 S CB 0.935 64.191 63.200 0.094 0.000 0.998 388 S HN 0.402 nan 8.310 nan 0.000 0.474 389 D N 2.681 123.125 120.400 0.073 0.000 2.378 389 D HA -0.037 4.600 4.640 -0.006 0.000 0.222 389 D C 0.865 177.239 176.300 0.124 0.000 0.980 389 D CA 0.917 54.964 54.000 0.077 0.000 0.907 389 D CB 0.008 40.847 40.800 0.066 0.000 0.899 389 D HN 0.750 nan 8.370 nan 0.000 0.527 390 Y N 0.378 120.690 120.300 0.020 0.000 2.353 390 Y HA 0.039 4.586 4.550 -0.006 0.000 0.294 390 Y C 1.825 177.747 175.900 0.036 0.000 1.135 390 Y CA 0.565 58.679 58.100 0.024 0.000 1.176 390 Y CB -0.005 38.464 38.460 0.016 0.000 1.124 390 Y HN -0.203 nan 8.280 nan 0.000 0.537 391 I N 0.904 121.371 120.570 -0.172 0.000 2.439 391 I HA -0.168 3.998 4.170 -0.006 0.000 0.251 391 I C 2.257 178.316 176.117 -0.097 0.000 1.139 391 I CA 1.179 62.337 61.300 -0.236 0.000 1.438 391 I CB -1.034 36.932 38.000 -0.056 0.000 1.085 391 I HN 0.308 nan 8.210 nan 0.000 0.427 392 R N 0.928 121.425 120.500 -0.005 0.000 2.061 392 R HA -0.152 4.184 4.340 -0.006 0.000 0.230 392 R C 2.061 178.421 176.300 0.101 0.000 1.140 392 R CA 1.304 57.483 56.100 0.131 0.000 0.940 392 R CB -0.360 30.016 30.300 0.126 0.000 0.839 392 R HN 0.419 nan 8.270 nan 0.000 0.429 393 E N 0.451 120.666 120.200 0.025 0.000 2.273 393 E HA -0.157 4.190 4.350 -0.006 0.000 0.198 393 E C 0.679 177.241 176.600 -0.063 0.000 1.002 393 E CA 0.782 57.178 56.400 -0.008 0.000 0.828 393 E CB 0.108 29.811 29.700 0.004 0.000 0.747 393 E HN 0.266 nan 8.360 nan 0.000 0.491 397 K N 0.485 120.734 120.400 -0.252 0.000 2.280 397 K HA -0.009 4.308 4.320 -0.006 0.000 0.202 397 K C 0.562 176.819 176.600 -0.573 0.000 1.047 397 K CA 1.218 57.231 56.287 -0.456 0.000 0.942 397 K CB -0.077 32.022 32.500 -0.669 0.000 0.739 397 K HN 0.161 nan 8.250 nan 0.000 0.457 401 E N 1.054 121.225 120.200 -0.049 0.000 2.398 401 E HA 0.373 4.719 4.350 -0.006 0.000 0.263 401 E C -0.635 175.941 176.600 -0.040 0.000 1.046 401 E CA 0.078 56.453 56.400 -0.041 0.000 0.908 401 E CB 0.466 30.146 29.700 -0.033 0.000 0.963 401 E HN 0.422 nan 8.360 nan 0.000 0.431 402 Q N 2.171 121.947 119.800 -0.040 0.000 2.315 402 Q HA 0.302 4.639 4.340 -0.006 0.000 0.273 402 Q C -2.512 173.460 176.000 -0.048 0.000 1.053 402 Q CA -2.232 53.547 55.803 -0.041 0.000 0.817 402 Q CB 1.841 30.558 28.738 -0.034 0.000 1.326 402 Q HN 0.357 nan 8.270 nan 0.000 0.423 403 P HA -0.053 nan 4.420 nan 0.000 0.264 403 P C 0.153 177.414 177.300 -0.066 0.000 1.183 403 P CA -0.004 63.048 63.100 -0.080 0.000 0.763 403 P CB 0.420 32.058 31.700 -0.104 0.000 0.807 404 C N 7.375 126.636 119.300 -0.066 0.000 2.648 404 C HA 0.073 4.529 4.460 -0.006 0.000 0.406 404 C C -0.458 174.509 174.990 -0.040 0.000 1.406 404 C CA -1.301 57.691 59.018 -0.043 0.000 1.610 404 C CB -0.983 26.734 27.740 -0.037 0.000 2.451 404 C HN 0.497 nan 8.230 nan 0.000 0.608 405 P HA -0.075 nan 4.420 nan 0.000 0.222 405 P C 1.382 178.679 177.300 -0.005 0.000 1.147 405 P CA 1.632 64.721 63.100 -0.018 0.000 0.790 405 P CB -0.079 31.614 31.700 -0.012 0.000 0.780 406 T N 0.520 115.074 114.554 -0.000 0.000 2.732 406 T HA -0.100 4.247 4.350 -0.006 0.000 0.261 406 T C 1.774 176.490 174.700 0.027 0.000 1.040 406 T CA 1.804 63.911 62.100 0.013 0.000 1.145 406 T CB -0.901 67.975 68.868 0.013 0.000 0.866 406 T HN 0.310 nan 8.240 nan 0.000 0.427 407 C N 1.491 120.806 119.300 0.024 0.000 2.688 407 C HA 0.409 4.865 4.460 -0.006 0.000 0.297 407 C C 1.011 176.037 174.990 0.061 0.000 1.308 407 C CA -0.892 58.163 59.018 0.061 0.000 1.726 407 C CB -1.142 26.635 27.740 0.060 0.000 1.982 407 C HN 0.471 nan 8.230 nan 0.000 0.604 408 Q N 0.570 120.366 119.800 -0.007 0.000 2.422 408 Q HA -0.250 4.087 4.340 -0.006 0.000 0.245 408 Q C 1.376 177.153 176.000 -0.372 0.000 0.922 408 Q CA 1.642 57.372 55.803 -0.121 0.000 1.192 408 Q CB -2.045 26.701 28.738 0.012 0.000 1.641 408 Q HN 1.730 nan 8.270 nan 0.000 0.552 409 G N -1.479 107.172 108.800 -0.247 0.000 2.159 409 G HA2 -0.369 3.588 3.960 -0.006 0.000 0.256 409 G HA3 -0.369 3.588 3.960 -0.006 0.000 0.256 409 G C 0.369 175.101 174.900 -0.280 0.000 0.977 409 G CA 0.536 45.474 45.100 -0.271 0.000 0.652 409 G HN 0.483 nan 8.290 nan 0.000 0.531 410 Y N -0.267 120.027 120.300 -0.010 0.000 2.519 410 Y HA 0.250 4.797 4.550 -0.005 0.000 0.287 410 Y C 2.050 177.927 175.900 -0.039 0.000 1.128 410 Y CA 0.826 58.929 58.100 0.006 0.000 1.282 410 Y CB 0.249 38.765 38.460 0.093 0.000 1.027 410 Y HN 0.317 nan 8.280 nan 0.000 0.551 411 R N -0.969 119.569 120.500 0.064 0.000 3.854 411 R HA -0.152 4.184 4.340 -0.006 0.000 0.430 411 R C -0.917 175.459 176.300 0.126 0.000 1.068 411 R CA 0.504 56.605 56.100 0.002 0.000 1.104 411 R CB -2.392 27.753 30.300 -0.258 0.000 1.729 411 R HN 0.221 nan 8.270 nan 0.000 0.533 412 L N 0.109 121.419 121.223 0.145 0.000 2.257 412 L HA 0.522 4.858 4.340 -0.006 0.000 0.257 412 L C 0.420 177.334 176.870 0.072 0.000 1.033 412 L CA -1.332 53.590 54.840 0.137 0.000 0.835 412 L CB 1.326 43.481 42.059 0.160 0.000 1.398 412 L HN -0.084 nan 8.230 nan 0.000 0.429 413 K N 0.147 120.571 120.400 0.040 0.000 2.286 413 K HA 0.057 4.374 4.320 -0.006 0.000 0.256 413 K C 0.588 177.199 176.600 0.017 0.000 0.999 413 K CA -0.100 56.197 56.287 0.017 0.000 0.908 413 K CB 0.621 33.112 32.500 -0.014 0.000 0.981 413 K HN 0.424 nan 8.250 nan 0.000 0.500 414 K N 1.433 121.852 120.400 0.032 0.000 2.148 414 K HA -0.156 4.161 4.320 -0.006 0.000 0.204 414 K C 1.735 178.379 176.600 0.073 0.000 1.050 414 K CA 1.382 57.695 56.287 0.044 0.000 0.942 414 K CB 0.106 32.643 32.500 0.061 0.000 0.724 414 K HN 0.583 nan 8.250 nan 0.000 0.446 415 E N 0.622 120.880 120.200 0.096 0.000 2.347 415 E HA -0.066 4.281 4.350 -0.006 0.000 0.196 415 E C 1.475 178.094 176.600 0.033 0.000 1.008 415 E CA 0.870 57.352 56.400 0.136 0.000 0.852 415 E CB -0.022 29.697 29.700 0.032 0.000 0.783 415 E HN 0.030 nan 8.360 nan 0.000 0.505 416 S N 1.268 116.943 115.700 -0.041 0.000 2.387 416 S HA 0.063 4.530 4.470 -0.006 0.000 0.226 416 S C 1.991 176.621 174.600 0.051 0.000 1.026 416 S CA 0.592 58.725 58.200 -0.113 0.000 0.972 416 S CB -0.167 62.957 63.200 -0.127 0.000 0.814 416 S HN 0.231 nan 8.310 nan 0.000 0.477 417 L N 1.106 122.302 121.223 -0.047 0.000 2.610 417 L HA 0.138 4.475 4.340 -0.006 0.000 0.232 417 L C 2.367 179.193 176.870 -0.073 0.000 1.149 417 L CA 0.318 55.001 54.840 -0.261 0.000 0.872 417 L CB -0.552 41.194 42.059 -0.521 0.000 0.992 417 L HN 0.283 nan 8.230 nan 0.000 0.447 418 A N -0.244 122.627 122.820 0.085 0.000 1.968 418 A HA 0.033 4.350 4.320 -0.006 0.000 0.217 418 A C 1.155 178.872 177.584 0.221 0.000 1.169 418 A CA 0.390 52.524 52.037 0.162 0.000 0.638 418 A CB -0.191 18.977 19.000 0.281 0.000 0.812 418 A HN 0.129 nan 8.150 nan 0.000 0.446 419 V N 1.655 121.750 119.914 0.303 0.000 2.530 419 V HA 0.421 4.538 4.120 -0.006 0.000 0.282 419 V C -0.296 176.084 176.094 0.477 0.000 1.048 419 V CA -0.199 62.336 62.300 0.391 0.000 0.997 419 V CB 0.536 32.727 31.823 0.613 0.000 0.987 419 V HN 0.502 nan 8.190 nan 0.000 0.477 420 L N 4.210 125.616 121.223 0.305 0.000 2.409 420 L HA 0.780 5.116 4.340 -0.006 0.000 0.262 420 L C 0.022 176.860 176.870 -0.054 0.000 0.992 420 L CA -0.318 54.681 54.840 0.264 0.000 0.817 420 L CB 1.404 43.598 42.059 0.225 0.000 1.350 420 L HN 0.210 nan 8.230 nan 0.000 0.411 421 V N 1.110 120.889 119.914 -0.225 0.000 2.693 421 V HA 0.308 4.425 4.120 -0.006 0.000 0.223 421 V C 1.491 177.559 176.094 -0.043 0.000 1.131 421 V CA 1.115 63.241 62.300 -0.289 0.000 1.177 421 V CB -0.186 31.335 31.823 -0.503 0.000 0.852 421 V HN 0.993 nan 8.190 nan 0.000 0.507 422 G N -0.874 107.994 108.800 0.114 0.000 3.882 422 G HA2 0.442 4.399 3.960 -0.006 0.000 0.283 422 G HA3 0.442 4.399 3.960 -0.006 0.000 0.283 422 G C 1.042 176.031 174.900 0.149 0.000 1.283 422 G CA 0.550 45.702 45.100 0.086 0.000 1.402 422 G HN 1.134 nan 8.290 nan 0.000 0.618 423 G N 0.140 109.001 108.800 0.101 0.000 2.179 423 G HA2 -0.253 3.703 3.960 -0.006 0.000 0.260 423 G HA3 -0.253 3.703 3.960 -0.006 0.000 0.260 423 G C 0.415 175.371 174.900 0.094 0.000 0.977 423 G CA 0.362 45.516 45.100 0.091 0.000 0.641 423 G HN 0.527 nan 8.290 nan 0.000 0.533 424 K N 0.491 120.960 120.400 0.116 0.000 2.328 424 K HA 0.621 4.937 4.320 -0.006 0.000 0.246 424 K C 0.134 176.805 176.600 0.118 0.000 0.955 424 K CA -0.643 55.641 56.287 -0.005 0.000 0.817 424 K CB 1.615 34.012 32.500 -0.172 0.000 1.208 424 K HN 0.637 nan 8.250 nan 0.000 0.432 425 H N -1.226 117.888 119.070 0.074 0.000 2.517 425 H HA 0.310 4.863 4.556 -0.006 0.000 0.346 425 H C 1.238 176.512 175.328 -0.091 0.000 1.222 425 H CA -0.805 55.332 56.048 0.149 0.000 1.314 425 H CB 0.522 30.304 29.762 0.034 0.000 1.609 425 H HN 0.469 nan 8.280 nan 0.000 0.571 426 I N 1.093 121.495 120.570 -0.281 0.000 2.113 426 I HA -0.222 3.944 4.170 -0.006 0.000 0.242 426 I C 2.342 178.388 176.117 -0.118 0.000 1.057 426 I CA 2.570 63.446 61.300 -0.708 0.000 1.314 426 I CB -1.003 36.510 38.000 -0.813 0.000 1.022 426 I HN 0.956 nan 8.210 nan 0.000 0.408 427 G N -0.744 108.102 108.800 0.077 0.000 2.432 427 G HA2 -0.226 3.731 3.960 -0.006 0.000 0.219 427 G HA3 -0.226 3.731 3.960 -0.006 0.000 0.219 427 G C 1.492 176.288 174.900 -0.172 0.000 1.135 427 G CA 0.899 45.994 45.100 -0.008 0.000 0.767 427 G HN 0.570 nan 8.290 nan 0.000 0.550 428 E N 0.030 119.913 120.200 -0.528 0.000 2.046 428 E HA -0.052 4.295 4.350 -0.006 0.000 0.190 428 E C 2.685 179.146 176.600 -0.231 0.000 0.982 428 E CA 0.840 56.998 56.400 -0.402 0.000 0.800 428 E CB -0.156 29.174 29.700 -0.616 0.000 0.756 428 E HN 0.300 nan 8.360 nan 0.000 0.449 429 V N 1.517 121.281 119.914 -0.251 0.000 2.490 429 V HA -0.210 3.907 4.120 -0.006 0.000 0.250 429 V C 2.206 178.274 176.094 -0.044 0.000 1.061 429 V CA 1.990 64.147 62.300 -0.239 0.000 1.064 429 V CB -0.623 31.105 31.823 -0.160 0.000 0.670 429 V HN 0.319 nan 8.190 nan 0.000 0.461 430 T N -0.128 114.455 114.554 0.049 0.000 2.942 430 T HA 0.157 4.504 4.350 -0.006 0.000 0.265 430 T C 1.088 175.839 174.700 0.086 0.000 1.062 430 T CA 0.864 63.044 62.100 0.133 0.000 1.139 430 T CB -0.146 68.851 68.868 0.215 0.000 0.883 430 T HN 0.571 nan 8.240 nan 0.000 0.468 434 V N 1.644 121.573 119.914 0.024 0.000 2.332 434 V HA -0.218 3.899 4.120 -0.006 0.000 0.248 434 V C 3.143 179.268 176.094 0.052 0.000 1.055 434 V CA 2.855 65.176 62.300 0.034 0.000 1.038 434 V CB -1.696 30.126 31.823 -0.002 0.000 0.651 434 V HN 1.135 nan 8.190 nan 0.000 0.450 435 T N -1.792 112.790 114.554 0.047 0.000 2.746 435 T HA -0.232 4.115 4.350 -0.006 0.000 0.267 435 T C 1.645 176.382 174.700 0.061 0.000 1.039 435 T CA 1.725 63.858 62.100 0.053 0.000 1.142 435 T CB -0.379 68.521 68.868 0.054 0.000 0.866 435 T HN 0.598 nan 8.240 nan 0.000 0.444 436 E N 1.655 121.888 120.200 0.056 0.000 2.028 436 E HA 0.019 4.366 4.350 -0.006 0.000 0.191 436 E C 2.756 179.399 176.600 0.072 0.000 0.988 436 E CA 1.011 57.442 56.400 0.053 0.000 0.799 436 E CB -0.433 29.284 29.700 0.028 0.000 0.755 436 E HN 0.638 nan 8.360 nan 0.000 0.447 437 A N 1.331 124.193 122.820 0.070 0.000 1.908 437 A HA -0.198 4.118 4.320 -0.006 0.000 0.218 437 A C 2.176 179.907 177.584 0.246 0.000 1.181 437 A CA 1.195 53.299 52.037 0.111 0.000 0.627 437 A CB -0.609 18.490 19.000 0.165 0.000 0.818 437 A HN 0.204 nan 8.150 nan 0.000 0.445 438 L N -0.427 120.918 121.223 0.204 0.000 2.083 438 L HA -0.079 4.258 4.340 -0.006 0.000 0.209 438 L C 2.696 179.665 176.870 0.165 0.000 1.083 438 L CA 2.002 56.962 54.840 0.200 0.000 0.752 438 L CB -0.858 41.262 42.059 0.100 0.000 0.899 438 L HN 0.377 nan 8.230 nan 0.000 0.433 439 A N -1.246 121.645 122.820 0.118 0.000 1.873 439 A HA -0.240 4.076 4.320 -0.006 0.000 0.215 439 A C 2.289 179.911 177.584 0.064 0.000 1.186 439 A CA 1.514 53.598 52.037 0.078 0.000 0.616 439 A CB -1.128 17.909 19.000 0.063 0.000 0.823 439 A HN 0.484 nan 8.150 nan 0.000 0.442 440 F N -0.147 119.741 119.950 -0.103 0.000 2.091 440 F HA -0.244 4.282 4.527 -0.003 0.000 0.299 440 F C 1.831 177.471 175.800 -0.267 0.000 1.103 440 F CA 2.069 59.927 58.000 -0.237 0.000 1.228 440 F CB -0.323 38.437 39.000 -0.400 0.000 0.984 440 F HN 0.229 nan 8.300 nan 0.000 0.477 441 F N -0.042 119.941 119.950 0.055 0.000 2.502 441 F HA -0.093 4.429 4.527 -0.007 0.000 0.298 441 F C 2.172 177.909 175.800 -0.105 0.000 1.111 441 F CA 0.968 58.936 58.000 -0.052 0.000 1.445 441 F CB -0.462 38.569 39.000 0.051 0.000 1.081 441 F HN 0.055 nan 8.300 nan 0.000 0.558 442 D N -0.000 120.437 120.400 0.062 0.000 2.120 442 D HA -0.079 4.558 4.640 -0.006 0.000 0.202 442 D C 2.452 178.716 176.300 -0.060 0.000 0.972 442 D CA 1.484 55.488 54.000 0.008 0.000 0.837 442 D CB -0.558 40.250 40.800 0.013 0.000 0.989 442 D HN 0.149 nan 8.370 nan 0.000 0.469 443 G N 0.062 108.791 108.800 -0.118 0.000 2.511 443 G HA2 -0.051 3.906 3.960 -0.006 0.000 0.217 443 G HA3 -0.051 3.906 3.960 -0.006 0.000 0.217 443 G C 0.705 175.458 174.900 -0.244 0.000 1.133 443 G CA -0.059 44.946 45.100 -0.159 0.000 0.792 443 G HN 0.325 nan 8.290 nan 0.000 0.539 444 L N 0.995 121.994 121.223 -0.374 0.000 2.578 444 L HA 0.221 4.558 4.340 -0.006 0.000 0.279 444 L C -0.031 176.714 176.870 -0.208 0.000 1.227 444 L CA 0.115 54.699 54.840 -0.426 0.000 0.900 444 L CB 0.445 42.253 42.059 -0.419 0.000 1.144 444 L HN 0.175 nan 8.230 nan 0.000 0.496 445 E N 3.879 123.973 120.200 -0.178 0.000 2.191 445 E HA 0.585 4.932 4.350 -0.006 0.000 0.263 445 E C -1.369 175.183 176.600 -0.081 0.000 0.881 445 E CA -0.662 55.675 56.400 -0.105 0.000 0.757 445 E CB 0.964 30.610 29.700 -0.090 0.000 1.147 445 E HN 0.570 nan 8.360 nan 0.000 0.414 446 L N 1.285 122.474 121.223 -0.058 0.000 2.171 446 L HA 0.564 4.900 4.340 -0.006 0.000 0.253 446 L C 0.702 177.554 176.870 -0.031 0.000 1.054 446 L CA -0.761 54.053 54.840 -0.043 0.000 0.927 446 L CB 0.936 42.972 42.059 -0.039 0.000 1.513 446 L HN 0.610 nan 8.230 nan 0.000 0.471 447 T N -4.017 110.523 114.554 -0.024 0.000 2.867 447 T HA 0.310 4.656 4.350 -0.006 0.000 0.286 447 T C 0.746 175.436 174.700 -0.016 0.000 1.022 447 T CA -0.476 61.614 62.100 -0.017 0.000 0.933 447 T CB 0.745 69.607 68.868 -0.011 0.000 1.280 447 T HN 0.455 nan 8.240 nan 0.000 0.566 448 E N 0.435 120.627 120.200 -0.013 0.000 2.046 448 E HA -0.042 4.305 4.350 -0.006 0.000 0.190 448 E C 2.071 178.664 176.600 -0.011 0.000 0.982 448 E CA 1.089 57.482 56.400 -0.012 0.000 0.800 448 E CB -0.264 29.430 29.700 -0.010 0.000 0.756 448 E HN 0.519 nan 8.360 nan 0.000 0.449 449 K N 1.315 121.710 120.400 -0.008 0.000 2.001 449 K HA -0.083 4.234 4.320 -0.006 0.000 0.208 449 K C 2.105 178.700 176.600 -0.007 0.000 1.048 449 K CA 1.087 57.370 56.287 -0.006 0.000 0.932 449 K CB -0.283 32.216 32.500 -0.002 0.000 0.715 449 K HN 0.135 nan 8.250 nan 0.000 0.437 450 E N 0.162 120.356 120.200 -0.010 0.000 2.049 450 E HA -0.245 4.101 4.350 -0.006 0.000 0.198 450 E C 2.038 178.627 176.600 -0.018 0.000 1.007 450 E CA 1.435 57.826 56.400 -0.015 0.000 0.809 450 E CB -0.250 29.437 29.700 -0.021 0.000 0.749 450 E HN 0.358 nan 8.360 nan 0.000 0.450 451 A N 1.235 124.044 122.820 -0.019 0.000 1.933 451 A HA -0.229 4.088 4.320 -0.006 0.000 0.218 451 A C 2.153 179.726 177.584 -0.018 0.000 1.175 451 A CA 1.388 53.412 52.037 -0.020 0.000 0.628 451 A CB -0.426 18.561 19.000 -0.022 0.000 0.814 451 A HN 0.170 nan 8.150 nan 0.000 0.444 452 Q N -0.185 119.606 119.800 -0.014 0.000 2.230 452 Q HA -0.059 4.278 4.340 -0.006 0.000 0.202 452 Q C 1.823 177.818 176.000 -0.009 0.000 0.963 452 Q CA 1.260 57.056 55.803 -0.012 0.000 0.866 452 Q CB -0.162 28.571 28.738 -0.009 0.000 0.931 452 Q HN 0.746 nan 8.270 nan 0.000 0.452 453 I N 0.044 120.610 120.570 -0.008 0.000 2.400 453 I HA -0.093 4.074 4.170 -0.006 0.000 0.248 453 I C 1.740 177.854 176.117 -0.005 0.000 1.109 453 I CA 0.903 62.201 61.300 -0.004 0.000 1.425 453 I CB -0.090 37.910 38.000 -0.001 0.000 1.094 453 I HN 0.053 nan 8.210 nan 0.000 0.425 454 A N 1.111 123.923 122.820 -0.012 0.000 2.415 454 A HA 0.082 4.399 4.320 -0.006 0.000 0.248 454 A C 2.000 179.567 177.584 -0.028 0.000 1.299 454 A CA -0.300 51.727 52.037 -0.017 0.000 0.899 454 A CB -0.602 18.383 19.000 -0.024 0.000 0.997 454 A HN 0.398 nan 8.150 nan 0.000 0.506 455 R N -0.238 120.247 120.500 -0.025 0.000 2.080 455 R HA -0.074 4.262 4.340 -0.006 0.000 0.236 455 R C 1.347 177.620 176.300 -0.045 0.000 1.137 455 R CA 1.753 57.833 56.100 -0.034 0.000 0.943 455 R CB -0.783 29.502 30.300 -0.026 0.000 0.846 455 R HN 0.397 nan 8.270 nan 0.000 0.431 456 L N 0.307 121.513 121.223 -0.028 0.000 2.141 456 L HA -0.099 4.238 4.340 -0.006 0.000 0.209 456 L C 2.375 179.217 176.870 -0.047 0.000 1.094 456 L CA 0.672 55.495 54.840 -0.029 0.000 0.763 456 L CB -0.315 41.745 42.059 0.002 0.000 0.908 456 L HN 0.139 nan 8.230 nan 0.000 0.437 457 I N -0.339 120.218 120.570 -0.022 0.000 2.202 457 I HA -0.262 3.905 4.170 -0.006 0.000 0.242 457 I C 2.342 178.371 176.117 -0.147 0.000 1.091 457 I CA 1.444 62.737 61.300 -0.011 0.000 1.368 457 I CB -0.434 37.593 38.000 0.046 0.000 1.058 457 I HN 0.076 nan 8.210 nan 0.000 0.410 458 L N -0.167 120.967 121.223 -0.148 0.000 2.079 458 L HA -0.229 4.108 4.340 -0.006 0.000 0.210 458 L C 2.747 179.462 176.870 -0.258 0.000 1.081 458 L CA 1.368 56.068 54.840 -0.233 0.000 0.752 458 L CB -0.524 41.444 42.059 -0.151 0.000 0.896 458 L HN 0.231 nan 8.230 nan 0.000 0.433 459 R N 0.154 120.538 120.500 -0.193 0.000 2.081 459 R HA -0.229 4.108 4.340 -0.006 0.000 0.235 459 R C 2.215 178.365 176.300 -0.250 0.000 1.131 459 R CA 1.722 57.710 56.100 -0.187 0.000 0.960 459 R CB -0.039 30.183 30.300 -0.129 0.000 0.856 459 R HN 0.187 nan 8.270 nan 0.000 0.436 460 E N 0.756 120.768 120.200 -0.313 0.000 2.038 460 E HA -0.166 4.181 4.350 -0.006 0.000 0.195 460 E C 1.875 178.207 176.600 -0.447 0.000 1.000 460 E CA 1.729 57.864 56.400 -0.442 0.000 0.803 460 E CB -0.218 28.993 29.700 -0.814 0.000 0.750 460 E HN 0.414 nan 8.360 nan 0.000 0.448 461 I N 0.142 120.437 120.570 -0.458 0.000 2.208 461 I HA -0.283 3.884 4.170 -0.006 0.000 0.245 461 I C 2.740 178.664 176.117 -0.323 0.000 1.097 461 I CA 1.268 62.345 61.300 -0.372 0.000 1.363 461 I CB -0.324 37.387 38.000 -0.483 0.000 1.051 461 I HN 0.122 nan 8.210 nan 0.000 0.413 462 R N 0.784 121.083 120.500 -0.336 0.000 2.092 462 R HA -0.179 4.158 4.340 -0.006 0.000 0.231 462 R C 1.753 177.881 176.300 -0.286 0.000 1.119 462 R CA 1.721 57.672 56.100 -0.248 0.000 0.970 462 R CB -0.091 30.089 30.300 -0.200 0.000 0.864 462 R HN 0.326 nan 8.270 nan 0.000 0.440 463 D N -0.029 120.151 120.400 -0.367 0.000 2.103 463 D HA -0.101 4.535 4.640 -0.006 0.000 0.199 463 D C 2.023 177.825 176.300 -0.829 0.000 0.978 463 D CA 1.062 54.669 54.000 -0.656 0.000 0.829 463 D CB -0.069 40.407 40.800 -0.539 0.000 0.981 463 D HN 0.065 nan 8.370 nan 0.000 0.464 464 R N 0.120 120.433 120.500 -0.311 0.000 2.081 464 R HA -0.052 4.284 4.340 -0.006 0.000 0.235 464 R C 2.202 178.482 176.300 -0.033 0.000 1.131 464 R CA 0.427 56.529 56.100 0.003 0.000 0.960 464 R CB -0.683 29.657 30.300 0.066 0.000 0.856 464 R HN 0.113 nan 8.270 nan 0.000 0.436 465 L N -0.523 120.647 121.223 -0.088 0.000 2.012 465 L HA -0.088 4.249 4.340 -0.006 0.000 0.210 465 L C 2.322 179.157 176.870 -0.058 0.000 1.073 465 L CA 2.333 57.154 54.840 -0.032 0.000 0.748 465 L CB -1.299 40.764 42.059 0.006 0.000 0.891 465 L HN 0.360 nan 8.230 nan 0.000 0.431 466 G N -1.637 107.064 108.800 -0.165 0.000 2.418 466 G HA2 -0.252 3.704 3.960 -0.006 0.000 0.217 466 G HA3 -0.252 3.704 3.960 -0.006 0.000 0.217 466 G C 1.658 176.509 174.900 -0.082 0.000 1.158 466 G CA 0.607 45.607 45.100 -0.166 0.000 0.771 466 G HN 0.347 nan 8.290 nan 0.000 0.545 467 F N 0.583 120.516 119.950 -0.028 0.000 2.091 467 F HA -0.072 4.452 4.527 -0.005 0.000 0.299 467 F C 2.649 178.428 175.800 -0.035 0.000 1.103 467 F CA 0.465 58.444 58.000 -0.035 0.000 1.228 467 F CB -0.246 38.729 39.000 -0.042 0.000 0.984 467 F HN 0.026 nan 8.300 nan 0.000 0.477 468 L N -0.200 121.107 121.223 0.141 0.000 2.131 468 L HA -0.256 4.081 4.340 -0.006 0.000 0.210 468 L C 2.542 179.422 176.870 0.017 0.000 1.092 468 L CA 1.297 56.167 54.840 0.050 0.000 0.759 468 L CB -0.658 41.411 42.059 0.016 0.000 0.903 468 L HN 0.292 nan 8.230 nan 0.000 0.435 469 Q N 0.116 119.929 119.800 0.021 0.000 2.079 469 Q HA -0.184 4.153 4.340 -0.006 0.000 0.200 469 Q C 1.961 177.978 176.000 0.029 0.000 0.974 469 Q CA 1.337 57.149 55.803 0.016 0.000 0.840 469 Q CB 0.164 28.908 28.738 0.010 0.000 0.898 469 Q HN 0.509 nan 8.270 nan 0.000 0.430 470 N N -0.029 118.701 118.700 0.049 0.000 2.069 470 N HA -0.146 4.590 4.740 -0.006 0.000 0.191 470 N C 1.730 177.260 175.510 0.034 0.000 1.031 470 N CA 1.506 54.588 53.050 0.054 0.000 0.852 470 N CB -0.374 38.170 38.487 0.095 0.000 1.018 470 N HN 0.117 nan 8.380 nan 0.000 0.423 471 V N -0.310 119.622 119.914 0.030 0.000 2.970 471 V HA 0.051 4.167 4.120 -0.006 0.000 0.260 471 V C 1.668 177.764 176.094 0.004 0.000 1.100 471 V CA 1.270 63.574 62.300 0.006 0.000 1.122 471 V CB -0.792 31.029 31.823 -0.004 0.000 0.721 471 V HN 0.551 nan 8.190 nan 0.000 0.483 472 G N -0.340 108.468 108.800 0.015 0.000 2.179 472 G HA2 -0.184 3.772 3.960 -0.006 0.000 0.220 472 G HA3 -0.184 3.772 3.960 -0.006 0.000 0.220 472 G C 0.335 175.265 174.900 0.051 0.000 0.990 472 G CA 0.052 45.181 45.100 0.047 0.000 0.646 472 G HN 0.286 nan 8.290 nan 0.000 0.517 473 L N 2.437 123.609 121.223 -0.084 0.000 2.645 473 L HA 0.192 4.529 4.340 -0.006 0.000 0.234 473 L C 1.905 178.570 176.870 -0.341 0.000 1.165 473 L CA 1.350 55.985 54.840 -0.341 0.000 0.944 473 L CB -0.469 41.440 42.059 -0.250 0.000 1.149 473 L HN 0.535 nan 8.230 nan 0.000 0.446 474 D N -0.962 119.370 120.400 -0.114 0.000 2.392 474 D HA -0.242 4.394 4.640 -0.006 0.000 0.228 474 D C 1.562 177.866 176.300 0.008 0.000 1.003 474 D CA 0.464 54.443 54.000 -0.036 0.000 0.917 474 D CB -0.148 40.669 40.800 0.029 0.000 0.890 474 D HN 0.549 nan 8.370 nan 0.000 0.532 475 Y N 0.003 120.305 120.300 0.003 0.000 2.503 475 Y HA 0.271 4.818 4.550 -0.006 0.000 0.277 475 Y C 0.790 176.689 175.900 -0.003 0.000 1.102 475 Y CA -1.079 57.020 58.100 -0.001 0.000 1.261 475 Y CB -0.583 37.871 38.460 -0.010 0.000 1.096 475 Y HN -0.110 nan 8.280 nan 0.000 0.546 476 L N 1.182 122.208 121.223 -0.327 0.000 2.375 476 L HA 0.638 4.975 4.340 -0.006 0.000 0.271 476 L C 0.394 177.218 176.870 -0.078 0.000 1.107 476 L CA -0.957 53.784 54.840 -0.164 0.000 0.806 476 L CB 0.497 42.385 42.059 -0.286 0.000 1.146 476 L HN 0.198 nan 8.230 nan 0.000 0.447 477 T N -0.629 113.911 114.554 -0.023 0.000 2.788 477 T HA 0.424 4.770 4.350 -0.006 0.000 0.280 477 T C 1.067 175.770 174.700 0.005 0.000 0.984 477 T CA -0.591 61.511 62.100 0.002 0.000 0.972 477 T CB 0.655 69.533 68.868 0.017 0.000 1.039 477 T HN 0.640 nan 8.240 nan 0.000 0.530 478 L N 0.680 121.924 121.223 0.035 0.000 2.341 478 L HA 0.047 4.384 4.340 -0.006 0.000 0.214 478 L C 2.837 179.726 176.870 0.031 0.000 1.115 478 L CA 0.728 55.603 54.840 0.058 0.000 0.820 478 L CB -0.363 41.768 42.059 0.119 0.000 0.944 478 L HN 0.906 nan 8.230 nan 0.000 0.452 479 S N -0.695 115.013 115.700 0.014 0.000 2.478 479 S HA -0.060 4.407 4.470 -0.006 0.000 0.222 479 S C 1.212 175.785 174.600 -0.045 0.000 1.008 479 S CA -0.323 57.861 58.200 -0.027 0.000 0.928 479 S CB -0.198 62.999 63.200 -0.004 0.000 0.781 479 S HN 0.222 nan 8.310 nan 0.000 0.518 480 R N 3.169 123.655 120.500 -0.024 0.000 2.500 480 R HA 0.106 4.443 4.340 -0.006 0.000 0.281 480 R C 0.006 176.290 176.300 -0.028 0.000 0.953 480 R CA 0.411 56.496 56.100 -0.025 0.000 1.108 480 R CB -0.280 30.006 30.300 -0.022 0.000 0.901 480 R HN 0.249 nan 8.270 nan 0.000 0.410 481 S N 3.303 118.987 115.700 -0.028 0.000 2.533 481 S HA 0.258 4.724 4.470 -0.006 0.000 0.282 481 S C 1.316 175.912 174.600 -0.006 0.000 1.304 481 S CA 0.003 58.190 58.200 -0.022 0.000 1.063 481 S CB 0.773 63.961 63.200 -0.021 0.000 0.881 481 S HN 0.722 nan 8.310 nan 0.000 0.493 482 A N 4.901 127.725 122.820 0.005 0.000 1.933 482 A HA 0.064 4.380 4.320 -0.006 0.000 0.218 482 A C 2.111 179.703 177.584 0.013 0.000 1.175 482 A CA 1.712 53.757 52.037 0.013 0.000 0.628 482 A CB -1.311 17.704 19.000 0.025 0.000 0.814 482 A HN 1.028 nan 8.150 nan 0.000 0.444 483 G N -0.717 108.092 108.800 0.014 0.000 2.509 483 G HA2 -0.072 3.885 3.960 -0.006 0.000 0.218 483 G HA3 -0.072 3.885 3.960 -0.006 0.000 0.218 483 G C 1.420 176.328 174.900 0.014 0.000 1.124 483 G CA 1.632 46.741 45.100 0.016 0.000 0.776 483 G HN 0.720 nan 8.290 nan 0.000 0.547 484 T N -1.070 113.490 114.554 0.010 0.000 3.129 484 T HA 0.410 4.757 4.350 -0.006 0.000 0.251 484 T C 0.891 175.598 174.700 0.011 0.000 1.117 484 T CA -0.387 61.720 62.100 0.011 0.000 1.034 484 T CB -0.129 68.744 68.868 0.008 0.000 0.968 484 T HN 0.065 nan 8.240 nan 0.000 0.526 485 L N 2.510 123.740 121.223 0.012 0.000 2.439 485 L HA 0.453 4.790 4.340 -0.006 0.000 0.261 485 L C 1.243 178.126 176.870 0.022 0.000 1.153 485 L CA -0.927 53.923 54.840 0.016 0.000 0.808 485 L CB 0.921 42.986 42.059 0.009 0.000 1.126 485 L HN 0.315 nan 8.230 nan 0.000 0.460 486 S N 0.474 116.193 115.700 0.032 0.000 2.625 486 S HA 0.243 4.710 4.470 -0.006 0.000 0.262 486 S C 1.057 175.670 174.600 0.023 0.000 1.223 486 S CA -0.142 58.077 58.200 0.031 0.000 0.993 486 S CB 0.949 64.177 63.200 0.047 0.000 1.051 486 S HN 0.739 nan 8.310 nan 0.000 0.562 487 G N 0.072 108.883 108.800 0.019 0.000 2.404 487 G HA2 0.150 4.106 3.960 -0.006 0.000 0.214 487 G HA3 0.150 4.106 3.960 -0.006 0.000 0.214 487 G C 1.425 176.333 174.900 0.013 0.000 1.189 487 G CA 0.476 45.582 45.100 0.011 0.000 0.789 487 G HN 0.950 nan 8.290 nan 0.000 0.533 488 G N 0.684 109.497 108.800 0.022 0.000 2.446 488 G HA2 -0.166 3.791 3.960 -0.006 0.000 0.217 488 G HA3 -0.166 3.791 3.960 -0.006 0.000 0.217 488 G C 1.608 176.519 174.900 0.018 0.000 1.168 488 G CA 1.240 46.352 45.100 0.020 0.000 0.771 488 G HN 0.520 nan 8.290 nan 0.000 0.551 489 E N 0.534 120.753 120.200 0.032 0.000 2.038 489 E HA -0.103 4.244 4.350 -0.006 0.000 0.195 489 E C 2.990 179.589 176.600 -0.002 0.000 1.000 489 E CA 0.928 57.340 56.400 0.020 0.000 0.803 489 E CB -0.276 29.446 29.700 0.036 0.000 0.750 489 E HN 0.389 nan 8.360 nan 0.000 0.448 490 A N 1.229 124.051 122.820 0.004 0.000 1.892 490 A HA -0.325 3.991 4.320 -0.006 0.000 0.218 490 A C 2.145 179.727 177.584 -0.003 0.000 1.188 490 A CA 1.950 53.987 52.037 0.001 0.000 0.631 490 A CB -0.666 18.337 19.000 0.006 0.000 0.822 490 A HN 0.262 nan 8.150 nan 0.000 0.447 491 Q N -0.742 119.055 119.800 -0.004 0.000 2.061 491 Q HA -0.194 4.143 4.340 -0.006 0.000 0.204 491 Q C 2.363 178.352 176.000 -0.017 0.000 0.984 491 Q CA 1.682 57.479 55.803 -0.010 0.000 0.846 491 Q CB -0.115 28.618 28.738 -0.008 0.000 0.902 491 Q HN 0.662 nan 8.270 nan 0.000 0.421 492 R N -0.128 120.361 120.500 -0.018 0.000 2.115 492 R HA -0.057 4.280 4.340 -0.006 0.000 0.230 492 R C 2.304 178.585 176.300 -0.031 0.000 1.111 492 R CA 1.003 57.087 56.100 -0.027 0.000 0.976 492 R CB -0.173 30.113 30.300 -0.022 0.000 0.870 492 R HN 0.383 nan 8.270 nan 0.000 0.445 493 I N 0.483 121.038 120.570 -0.024 0.000 2.226 493 I HA -0.307 3.860 4.170 -0.006 0.000 0.245 493 I C 2.750 178.858 176.117 -0.015 0.000 1.100 493 I CA 1.249 62.538 61.300 -0.018 0.000 1.374 493 I CB -0.255 37.738 38.000 -0.012 0.000 1.057 493 I HN 0.153 nan 8.210 nan 0.000 0.413 494 R N 1.155 121.645 120.500 -0.017 0.000 2.096 494 R HA -0.226 4.111 4.340 -0.006 0.000 0.235 494 R C 2.332 178.598 176.300 -0.056 0.000 1.127 494 R CA 1.523 57.611 56.100 -0.020 0.000 0.968 494 R CB -0.369 29.926 30.300 -0.008 0.000 0.861 494 R HN 0.228 nan 8.270 nan 0.000 0.440 495 L N 0.725 121.904 121.223 -0.075 0.000 2.017 495 L HA -0.033 4.304 4.340 -0.006 0.000 0.208 495 L C 2.347 179.123 176.870 -0.157 0.000 1.073 495 L CA 2.245 57.006 54.840 -0.133 0.000 0.745 495 L CB -0.858 41.134 42.059 -0.112 0.000 0.894 495 L HN 0.299 nan 8.230 nan 0.000 0.432 496 A N -1.614 121.149 122.820 -0.095 0.000 1.902 496 A HA -0.213 4.104 4.320 -0.006 0.000 0.217 496 A C 2.267 179.797 177.584 -0.091 0.000 1.181 496 A CA 2.349 54.341 52.037 -0.075 0.000 0.623 496 A CB -1.282 17.732 19.000 0.023 0.000 0.818 496 A HN 0.524 nan 8.150 nan 0.000 0.443 497 T N -0.616 113.912 114.554 -0.042 0.000 2.788 497 T HA -0.174 4.172 4.350 -0.006 0.000 0.268 497 T C 2.114 176.774 174.700 -0.067 0.000 1.044 497 T CA 1.802 63.894 62.100 -0.014 0.000 1.139 497 T CB -0.214 68.662 68.868 0.014 0.000 0.867 497 T HN 0.531 nan 8.240 nan 0.000 0.454 498 Q N 0.553 120.282 119.800 -0.119 0.000 2.046 498 Q HA -0.009 4.328 4.340 -0.006 0.000 0.200 498 Q C 2.181 178.033 176.000 -0.248 0.000 0.975 498 Q CA 1.140 56.852 55.803 -0.151 0.000 0.836 498 Q CB -0.564 28.039 28.738 -0.224 0.000 0.896 498 Q HN 0.352 nan 8.270 nan 0.000 0.428 499 I N 0.069 120.408 120.570 -0.385 0.000 2.185 499 I HA -0.258 3.909 4.170 -0.006 0.000 0.246 499 I C 2.004 177.757 176.117 -0.608 0.000 1.088 499 I CA 1.904 62.862 61.300 -0.571 0.000 1.347 499 I CB -1.584 35.899 38.000 -0.861 0.000 1.041 499 I HN 0.402 nan 8.210 nan 0.000 0.415 500 G N -0.544 107.958 108.800 -0.498 0.000 2.559 500 G HA2 -0.135 3.822 3.960 -0.006 0.000 0.216 500 G HA3 -0.135 3.822 3.960 -0.006 0.000 0.216 500 G C 1.692 176.569 174.900 -0.039 0.000 1.126 500 G CA 0.678 45.675 45.100 -0.172 0.000 0.778 500 G HN 0.416 nan 8.290 nan 0.000 0.543 501 S N 0.583 116.253 115.700 -0.051 0.000 2.428 501 S HA -0.003 4.464 4.470 -0.006 0.000 0.230 501 S C 1.310 175.920 174.600 0.016 0.000 1.014 501 S CA 0.319 58.525 58.200 0.011 0.000 0.957 501 S CB -0.004 63.216 63.200 0.034 0.000 0.784 501 S HN 0.431 nan 8.310 nan 0.000 0.499 502 R N 0.052 120.546 120.500 -0.009 0.000 3.525 502 R HA -0.135 4.202 4.340 -0.006 0.000 0.276 502 R C -0.585 175.731 176.300 0.026 0.000 1.116 502 R CA 0.269 56.373 56.100 0.006 0.000 0.745 502 R CB -2.918 27.394 30.300 0.019 0.000 1.185 502 R HN 0.406 nan 8.270 nan 0.000 0.454 503 L N 0.488 121.741 121.223 0.049 0.000 2.453 503 L HA 0.276 4.612 4.340 -0.006 0.000 0.261 503 L C 0.990 177.872 176.870 0.020 0.000 1.179 503 L CA 0.352 55.208 54.840 0.028 0.000 0.813 503 L CB 0.842 42.910 42.059 0.016 0.000 1.110 503 L HN 0.056 nan 8.230 nan 0.000 0.466 504 T N -0.443 114.101 114.554 -0.017 0.000 2.907 504 T HA 0.493 4.840 4.350 -0.006 0.000 0.292 504 T C 0.491 175.156 174.700 -0.059 0.000 1.043 504 T CA -0.011 62.075 62.100 -0.022 0.000 1.003 504 T CB 1.690 70.552 68.868 -0.010 0.000 1.084 504 T HN 0.921 nan 8.240 nan 0.000 0.483 505 G N 0.804 109.567 108.800 -0.061 0.000 2.249 505 G HA2 -0.187 3.770 3.960 -0.006 0.000 0.273 505 G HA3 -0.187 3.770 3.960 -0.006 0.000 0.273 505 G C -0.005 174.812 174.900 -0.138 0.000 1.036 505 G CA 0.202 45.254 45.100 -0.079 0.000 0.824 505 G HN 0.760 nan 8.290 nan 0.000 0.504 506 V N 0.110 119.895 119.914 -0.216 0.000 2.713 506 V HA 0.686 4.803 4.120 -0.006 0.000 0.307 506 V C 0.358 176.221 176.094 -0.385 0.000 1.052 506 V CA -0.858 61.211 62.300 -0.386 0.000 0.967 506 V CB 1.862 33.276 31.823 -0.682 0.000 1.019 506 V HN 0.389 nan 8.190 nan 0.000 0.459 507 L N 4.771 125.782 121.223 -0.355 0.000 2.371 507 L HA 0.475 4.812 4.340 -0.006 0.000 0.262 507 L C -0.817 175.928 176.870 -0.208 0.000 1.054 507 L CA -0.214 54.497 54.840 -0.214 0.000 0.924 507 L CB -0.199 41.790 42.059 -0.117 0.000 1.295 507 L HN 0.513 nan 8.230 nan 0.000 0.441 508 Y N 2.911 123.179 120.300 -0.054 0.000 2.359 508 Y HA 0.400 4.946 4.550 -0.006 0.000 0.330 508 Y C 0.452 176.286 175.900 -0.111 0.000 1.143 508 Y CA -0.373 57.685 58.100 -0.070 0.000 1.318 508 Y CB 1.123 39.545 38.460 -0.064 0.000 1.234 508 Y HN 0.201 nan 8.280 nan 0.000 0.522 509 V N 6.100 126.010 119.914 -0.007 0.000 2.305 509 V HA 0.205 4.321 4.120 -0.006 0.000 0.275 509 V C -0.528 175.504 176.094 -0.103 0.000 1.020 509 V CA -0.680 61.486 62.300 -0.222 0.000 0.811 509 V CB 0.490 31.953 31.823 -0.599 0.000 1.031 509 V HN 0.494 nan 8.190 nan 0.000 0.439 510 L N 3.485 124.706 121.223 -0.003 0.000 2.350 510 L HA 0.494 4.830 4.340 -0.006 0.000 0.275 510 L C 0.173 177.172 176.870 0.215 0.000 1.099 510 L CA 0.248 55.146 54.840 0.096 0.000 0.808 510 L CB 1.022 43.099 42.059 0.028 0.000 1.149 510 L HN 0.563 nan 8.230 nan 0.000 0.442 511 D N 2.605 123.163 120.400 0.264 0.000 2.460 511 D HA 0.142 4.778 4.640 -0.006 0.000 0.232 511 D C -0.058 176.299 176.300 0.096 0.000 1.079 511 D CA -0.319 53.817 54.000 0.226 0.000 0.864 511 D CB 0.330 41.169 40.800 0.066 0.000 1.048 511 D HN 0.538 nan 8.370 nan 0.000 0.523 512 E N 3.634 123.886 120.200 0.086 0.000 2.160 512 E HA -0.180 4.167 4.350 -0.006 0.000 0.180 512 E C -1.464 175.159 176.600 0.038 0.000 1.452 512 E CA -0.068 56.371 56.400 0.064 0.000 0.683 512 E CB 0.235 29.995 29.700 0.100 0.000 1.072 512 E HN 0.435 nan 8.360 nan 0.000 0.332 513 P HA -0.177 nan 4.420 nan 0.000 0.225 513 P C 1.186 178.480 177.300 -0.010 0.000 1.148 513 P CA 1.534 64.635 63.100 0.002 0.000 0.779 513 P CB -0.011 31.683 31.700 -0.010 0.000 0.780 514 S N -0.928 114.767 115.700 -0.007 0.000 2.515 514 S HA -0.026 4.440 4.470 -0.006 0.000 0.231 514 S C 1.115 175.693 174.600 -0.037 0.000 0.987 514 S CA -0.162 58.022 58.200 -0.028 0.000 0.936 514 S CB -1.270 61.917 63.200 -0.021 0.000 0.766 514 S HN 0.056 nan 8.310 nan 0.000 0.528 515 I N 2.768 123.335 120.570 -0.005 0.000 2.906 515 I HA 0.067 4.233 4.170 -0.006 0.000 0.302 515 I C 1.461 177.571 176.117 -0.012 0.000 1.220 515 I CA 1.320 62.624 61.300 0.007 0.000 1.441 515 I CB -0.254 37.758 38.000 0.020 0.000 1.336 515 I HN 0.539 nan 8.210 nan 0.000 0.565 516 G N 6.195 115.005 108.800 0.016 0.000 2.305 516 G HA2 -0.263 3.694 3.960 -0.006 0.000 0.287 516 G HA3 -0.263 3.694 3.960 -0.006 0.000 0.287 516 G C -0.312 174.456 174.900 -0.220 0.000 1.036 516 G CA -0.097 45.019 45.100 0.027 0.000 0.887 516 G HN 0.550 nan 8.290 nan 0.000 0.505 517 L N 0.365 121.283 121.223 -0.509 0.000 2.439 517 L HA 0.399 4.736 4.340 -0.006 0.000 0.270 517 L C 0.621 177.058 176.870 -0.721 0.000 0.972 517 L CA -1.097 53.449 54.840 -0.490 0.000 0.836 517 L CB 1.408 43.345 42.059 -0.203 0.000 1.255 517 L HN 0.380 nan 8.230 nan 0.000 0.404 518 H N 2.671 121.305 119.070 -0.725 0.000 2.948 518 H HA -0.095 4.457 4.556 -0.006 0.000 0.351 518 H C 0.417 175.605 175.328 -0.233 0.000 1.079 518 H CA 0.617 56.516 56.048 -0.248 0.000 1.407 518 H CB 1.545 31.281 29.762 -0.044 0.000 1.373 518 H HN 0.721 nan 8.280 nan 0.000 0.605 519 Q N 3.999 123.457 119.800 -0.570 0.000 2.226 519 Q HA -0.153 4.184 4.340 -0.006 0.000 0.204 519 Q C 2.411 178.071 176.000 -0.567 0.000 0.975 519 Q CA 1.650 57.167 55.803 -0.475 0.000 0.866 519 Q CB -0.195 28.263 28.738 -0.467 0.000 0.915 519 Q HN 0.685 nan 8.270 nan 0.000 0.440 520 R N 0.069 120.231 120.500 -0.564 0.000 2.083 520 R HA -0.137 4.200 4.340 -0.006 0.000 0.237 520 R C 0.259 176.480 176.300 -0.132 0.000 1.137 520 R CA 1.773 57.590 56.100 -0.471 0.000 0.951 520 R CB -0.220 30.035 30.300 -0.074 0.000 0.851 520 R HN 0.239 nan 8.270 nan 0.000 0.434 521 D N 0.162 120.515 120.400 -0.078 0.000 2.346 521 D HA -0.047 4.590 4.640 -0.006 0.000 0.248 521 D C 0.624 176.897 176.300 -0.044 0.000 1.173 521 D CA 0.223 54.198 54.000 -0.041 0.000 0.878 521 D CB -0.292 40.487 40.800 -0.035 0.000 0.919 521 D HN 0.414 nan 8.370 nan 0.000 0.513 522 N N 0.467 119.132 118.700 -0.058 0.000 2.368 522 N HA -0.110 4.627 4.740 -0.006 0.000 0.176 522 N C 0.749 176.258 175.510 -0.002 0.000 1.021 522 N CA 0.389 53.415 53.050 -0.040 0.000 0.888 522 N CB 0.452 38.908 38.487 -0.052 0.000 0.995 522 N HN -0.071 nan 8.380 nan 0.000 0.437 523 D N 0.913 121.327 120.400 0.024 0.000 2.219 523 D HA -0.082 4.555 4.640 -0.006 0.000 0.205 523 D C 1.851 178.168 176.300 0.028 0.000 0.970 523 D CA 0.768 54.791 54.000 0.038 0.000 0.851 523 D CB 0.042 40.880 40.800 0.064 0.000 0.943 523 D HN 0.348 nan 8.370 nan 0.000 0.488 524 R N -0.106 120.408 120.500 0.024 0.000 2.090 524 R HA -0.017 4.319 4.340 -0.006 0.000 0.228 524 R C 2.170 178.478 176.300 0.013 0.000 1.110 524 R CA 0.311 56.425 56.100 0.023 0.000 0.973 524 R CB -0.332 29.983 30.300 0.024 0.000 0.869 524 R HN 0.117 nan 8.270 nan 0.000 0.440 525 L N 1.277 122.500 121.223 0.001 0.000 1.994 525 L HA -0.134 4.203 4.340 -0.006 0.000 0.208 525 L C 2.072 178.937 176.870 -0.009 0.000 1.071 525 L CA 1.636 56.470 54.840 -0.010 0.000 0.745 525 L CB -0.334 41.713 42.059 -0.020 0.000 0.892 525 L HN 0.077 nan 8.230 nan 0.000 0.431 526 I N -0.030 120.540 120.570 -0.001 0.000 2.264 526 I HA -0.277 3.890 4.170 -0.006 0.000 0.248 526 I C 2.644 178.764 176.117 0.006 0.000 1.111 526 I CA 1.485 62.787 61.300 0.003 0.000 1.382 526 I CB -1.908 36.099 38.000 0.012 0.000 1.060 526 I HN 0.361 nan 8.210 nan 0.000 0.418 527 A N 1.003 123.830 122.820 0.012 0.000 1.898 527 A HA -0.200 4.117 4.320 -0.006 0.000 0.216 527 A C 2.437 180.028 177.584 0.011 0.000 1.181 527 A CA 2.536 54.583 52.037 0.017 0.000 0.620 527 A CB -1.063 17.953 19.000 0.026 0.000 0.819 527 A HN 0.541 nan 8.150 nan 0.000 0.442 528 T N -1.536 113.021 114.554 0.005 0.000 2.896 528 T HA 0.021 4.368 4.350 -0.006 0.000 0.263 528 T C 1.871 176.543 174.700 -0.045 0.000 1.050 528 T CA 1.107 63.201 62.100 -0.011 0.000 1.140 528 T CB -0.582 68.281 68.868 -0.009 0.000 0.877 528 T HN 0.269 nan 8.240 nan 0.000 0.457 529 L N 0.804 122.002 121.223 -0.043 0.000 1.971 529 L HA -0.152 4.184 4.340 -0.006 0.000 0.215 529 L C 3.014 179.865 176.870 -0.032 0.000 1.072 529 L CA 1.884 56.693 54.840 -0.052 0.000 0.758 529 L CB -0.574 41.465 42.059 -0.032 0.000 0.889 529 L HN 0.256 nan 8.230 nan 0.000 0.433 530 K N -0.356 120.037 120.400 -0.012 0.000 2.152 530 K HA -0.081 4.235 4.320 -0.006 0.000 0.206 530 K C 1.223 177.823 176.600 0.000 0.000 1.048 530 K CA 0.672 56.960 56.287 0.001 0.000 0.933 530 K CB -0.164 32.341 32.500 0.009 0.000 0.721 530 K HN 0.250 nan 8.250 nan 0.000 0.447 534 D N 1.975 122.386 120.400 0.018 0.000 2.355 534 D HA 0.037 4.673 4.640 -0.006 0.000 0.253 534 D C 0.745 177.055 176.300 0.016 0.000 1.187 534 D CA 0.380 54.389 54.000 0.016 0.000 0.900 534 D CB 0.304 41.114 40.800 0.015 0.000 0.915 534 D HN 0.041 nan 8.370 nan 0.000 0.516 535 L N -0.748 120.487 121.223 0.021 0.000 3.066 535 L HA 0.313 4.650 4.340 -0.006 0.000 0.265 535 L C 1.047 177.929 176.870 0.020 0.000 1.232 535 L CA 0.115 54.968 54.840 0.021 0.000 1.031 535 L CB 0.204 42.276 42.059 0.022 0.000 1.379 535 L HN 0.092 nan 8.230 nan 0.000 0.563 536 G N 0.188 108.997 108.800 0.015 0.000 2.182 536 G HA2 -0.257 3.700 3.960 -0.006 0.000 0.248 536 G HA3 -0.257 3.700 3.960 -0.006 0.000 0.248 536 G C -0.072 174.828 174.900 -0.001 0.000 1.042 536 G CA 0.144 45.246 45.100 0.005 0.000 0.775 536 G HN 0.420 nan 8.290 nan 0.000 0.501 537 N N -0.663 118.047 118.700 0.016 0.000 2.312 537 N HA 0.667 5.404 4.740 -0.006 0.000 0.296 537 N C -0.695 174.827 175.510 0.019 0.000 1.193 537 N CA -0.079 52.978 53.050 0.012 0.000 0.773 537 N CB 1.929 40.473 38.487 0.094 0.000 1.435 537 N HN 0.167 nan 8.380 nan 0.000 0.484 538 T N 0.936 115.484 114.554 -0.009 0.000 2.794 538 T HA 0.614 4.960 4.350 -0.006 0.000 0.280 538 T C -0.702 174.014 174.700 0.026 0.000 0.987 538 T CA -0.571 61.527 62.100 -0.004 0.000 0.993 538 T CB 0.186 69.031 68.868 -0.038 0.000 0.939 538 T HN 0.214 nan 8.240 nan 0.000 0.449 539 L N 5.789 127.035 121.223 0.038 0.000 2.329 539 L HA 0.618 4.955 4.340 -0.006 0.000 0.279 539 L C -0.363 176.510 176.870 0.006 0.000 1.014 539 L CA -1.037 53.833 54.840 0.049 0.000 0.814 539 L CB 1.915 44.005 42.059 0.051 0.000 1.257 539 L HN 0.593 nan 8.230 nan 0.000 0.424 540 I N 3.807 124.364 120.570 -0.021 0.000 2.464 540 I HA 0.283 4.450 4.170 -0.006 0.000 0.277 540 I C -0.618 175.460 176.117 -0.064 0.000 1.040 540 I CA -0.487 60.780 61.300 -0.054 0.000 1.153 540 I CB 1.830 39.768 38.000 -0.104 0.000 1.274 540 I HN 0.237 nan 8.210 nan 0.000 0.469 541 V N 6.842 126.740 119.914 -0.025 0.000 2.427 541 V HA 0.309 4.426 4.120 -0.006 0.000 0.286 541 V C 0.206 176.293 176.094 -0.011 0.000 1.034 541 V CA -0.707 61.586 62.300 -0.011 0.000 0.893 541 V CB 2.120 33.942 31.823 -0.002 0.000 0.982 541 V HN 0.306 nan 8.190 nan 0.000 0.452 542 V N 5.141 125.066 119.914 0.017 0.000 2.320 542 V HA 0.420 4.537 4.120 -0.006 0.000 0.265 542 V C 0.137 176.188 176.094 -0.072 0.000 1.048 542 V CA -0.152 62.144 62.300 -0.007 0.000 0.865 542 V CB 0.553 32.435 31.823 0.099 0.000 1.043 542 V HN 0.850 nan 8.190 nan 0.000 0.474 543 E N 2.381 122.485 120.200 -0.159 0.000 2.378 543 E HA 0.539 4.886 4.350 -0.006 0.000 0.265 543 E C -0.282 176.090 176.600 -0.380 0.000 0.932 543 E CA -0.662 55.632 56.400 -0.175 0.000 0.795 543 E CB 2.077 31.743 29.700 -0.057 0.000 1.296 543 E HN 0.580 nan 8.360 nan 0.000 0.438 544 H N -0.587 118.488 119.070 0.008 0.000 3.233 544 H HA 0.153 4.706 4.556 -0.006 0.000 0.263 544 H C -0.526 174.766 175.328 -0.060 0.000 1.168 544 H CA -0.193 55.840 56.048 -0.025 0.000 1.159 544 H CB 1.198 30.939 29.762 -0.034 0.000 1.593 544 H HN 0.326 nan 8.280 nan 0.000 0.580 545 D N 1.356 121.786 120.400 0.049 0.000 2.302 545 D HA 0.043 4.680 4.640 -0.006 0.000 0.248 545 D C 1.109 177.413 176.300 0.007 0.000 1.094 545 D CA 0.068 54.080 54.000 0.019 0.000 0.897 545 D CB 1.619 42.426 40.800 0.012 0.000 1.200 545 D HN 0.195 nan 8.370 nan 0.000 0.429 546 E N 1.625 121.830 120.200 0.008 0.000 2.006 546 E HA -0.163 4.183 4.350 -0.006 0.000 0.192 546 E C 1.114 177.726 176.600 0.020 0.000 0.993 546 E CA 0.978 57.388 56.400 0.017 0.000 0.808 546 E CB 0.077 29.794 29.700 0.027 0.000 0.764 546 E HN 0.516 nan 8.360 nan 0.000 0.449 547 D N 0.838 121.252 120.400 0.023 0.000 2.149 547 D HA -0.105 4.531 4.640 -0.006 0.000 0.194 547 D C 0.965 177.276 176.300 0.019 0.000 1.001 547 D CA 1.117 55.133 54.000 0.026 0.000 0.849 547 D CB -0.655 40.166 40.800 0.035 0.000 0.939 547 D HN 0.116 nan 8.370 nan 0.000 0.449 551 A N 0.936 123.765 122.820 0.016 0.000 2.169 551 A HA 0.580 4.897 4.320 -0.006 0.000 0.212 551 A C 1.219 178.814 177.584 0.018 0.000 1.153 551 A CA 0.795 52.843 52.037 0.017 0.000 0.756 551 A CB -0.260 18.751 19.000 0.019 0.000 0.813 551 A HN 0.300 nan 8.150 nan 0.000 0.471 552 A N 0.049 122.880 122.820 0.018 0.000 2.386 552 A HA 0.381 4.697 4.320 -0.006 0.000 0.246 552 A C 0.548 178.151 177.584 0.033 0.000 1.089 552 A CA 0.310 52.362 52.037 0.026 0.000 0.790 552 A CB 0.195 19.209 19.000 0.024 0.000 1.042 552 A HN 0.282 nan 8.150 nan 0.000 0.497 553 D N -1.380 119.054 120.400 0.057 0.000 2.290 553 D HA 0.119 4.756 4.640 -0.006 0.000 0.224 553 D C -0.166 176.200 176.300 0.109 0.000 0.967 553 D CA 1.464 55.509 54.000 0.075 0.000 0.893 553 D CB -0.092 40.760 40.800 0.087 0.000 1.037 553 D HN 0.528 nan 8.370 nan 0.000 0.477 554 Y N 0.147 120.448 120.300 0.001 0.000 2.446 554 Y HA 0.563 5.109 4.550 -0.006 0.000 0.338 554 Y C -1.178 174.722 175.900 -0.001 0.000 1.055 554 Y CA -1.029 57.072 58.100 0.000 0.000 1.101 554 Y CB 1.493 39.952 38.460 -0.003 0.000 1.221 554 Y HN -0.189 nan 8.280 nan 0.000 0.460 555 L N 7.187 128.279 121.223 -0.219 0.000 2.491 555 L HA 0.554 4.891 4.340 -0.006 0.000 0.267 555 L C -1.887 174.921 176.870 -0.104 0.000 0.971 555 L CA -0.339 54.450 54.840 -0.086 0.000 0.857 555 L CB 0.858 42.864 42.059 -0.087 0.000 1.226 555 L HN 0.615 nan 8.230 nan 0.000 0.408 556 I N 3.496 124.086 120.570 0.033 0.000 2.336 556 I HA 0.297 4.464 4.170 -0.006 0.000 0.292 556 I C -0.694 175.435 176.117 0.020 0.000 0.991 556 I CA -0.369 60.961 61.300 0.050 0.000 1.227 556 I CB 1.664 39.737 38.000 0.122 0.000 1.366 556 I HN 0.528 nan 8.210 nan 0.000 0.466 557 D N 7.247 127.652 120.400 0.009 0.000 2.392 557 D HA 0.433 5.070 4.640 -0.006 0.000 0.228 557 D C -0.462 175.839 176.300 0.001 0.000 1.074 557 D CA -0.243 53.760 54.000 0.005 0.000 0.838 557 D CB 0.955 41.760 40.800 0.009 0.000 1.067 557 D HN 0.273 nan 8.370 nan 0.000 0.511 558 I N 2.840 123.405 120.570 -0.008 0.000 2.396 558 I HA 0.357 4.523 4.170 -0.006 0.000 0.292 558 I C 1.216 177.319 176.117 -0.023 0.000 0.999 558 I CA -0.659 60.637 61.300 -0.007 0.000 1.310 558 I CB 1.190 39.189 38.000 -0.001 0.000 1.404 558 I HN 0.568 nan 8.210 nan 0.000 0.496 559 G N 7.551 116.347 108.800 -0.008 0.000 3.385 559 G HA2 -0.183 3.774 3.960 -0.006 0.000 0.332 559 G HA3 -0.183 3.774 3.960 -0.006 0.000 0.332 559 G C -2.659 172.232 174.900 -0.015 0.000 0.339 559 G CA -0.926 44.171 45.100 -0.004 0.000 1.267 559 G HN 0.444 nan 8.290 nan 0.000 0.535 560 P HA 0.502 nan 4.420 nan 0.000 0.282 560 P C 0.786 178.099 177.300 0.021 0.000 1.274 560 P CA 1.401 64.503 63.100 0.004 0.000 0.770 560 P CB 0.949 32.664 31.700 0.025 0.000 0.867 561 G N 2.375 111.165 108.800 -0.017 0.000 2.781 561 G HA2 0.171 4.128 3.960 -0.006 0.000 0.683 561 G HA3 0.171 4.128 3.960 -0.006 0.000 0.683 561 G C -0.658 174.230 174.900 -0.019 0.000 1.390 561 G CA -0.374 44.717 45.100 -0.015 0.000 0.850 561 G HN 0.676 nan 8.290 nan 0.000 0.557 562 A N -0.045 122.752 122.820 -0.039 0.000 2.281 562 A HA 1.118 5.435 4.320 -0.006 0.000 0.329 562 A C 1.737 179.360 177.584 0.065 0.000 1.122 562 A CA 1.484 53.471 52.037 -0.084 0.000 0.850 562 A CB 0.860 19.744 19.000 -0.193 0.000 1.207 562 A HN 3.033 nan 8.150 nan 0.000 0.495 563 G N -0.100 108.714 108.800 0.023 0.000 2.591 563 G HA2 -0.312 3.644 3.960 -0.006 0.000 0.298 563 G HA3 -0.312 3.644 3.960 -0.006 0.000 0.298 563 G C 1.110 176.084 174.900 0.124 0.000 1.195 563 G CA 0.775 45.957 45.100 0.138 0.000 0.989 563 G HN 1.537 nan 8.290 nan 0.000 0.551 564 I N 1.005 121.659 120.570 0.140 0.000 2.614 564 I HA -0.045 4.122 4.170 -0.006 0.000 0.258 564 I C 2.363 178.449 176.117 -0.051 0.000 1.189 564 I CA 2.009 63.322 61.300 0.022 0.000 1.462 564 I CB -0.078 37.898 38.000 -0.040 0.000 1.092 564 I HN 0.555 nan 8.210 nan 0.000 0.442 565 H N -0.049 119.042 119.070 0.035 0.000 2.502 565 H HA 0.138 4.690 4.556 -0.006 0.000 0.283 565 H C 1.356 176.688 175.328 0.006 0.000 1.015 565 H CA 0.769 56.831 56.048 0.024 0.000 1.298 565 H CB -0.258 29.521 29.762 0.028 0.000 1.411 565 H HN 0.376 nan 8.280 nan 0.000 0.556 566 G N -1.757 107.103 108.800 0.100 0.000 2.849 566 G HA2 0.416 4.373 3.960 -0.006 0.000 0.174 566 G HA3 0.416 4.373 3.960 -0.006 0.000 0.174 566 G C 0.804 175.721 174.900 0.027 0.000 1.370 566 G CA -0.347 44.777 45.100 0.040 0.000 1.040 566 G HN 0.459 nan 8.290 nan 0.000 0.582 567 G N -1.540 107.271 108.800 0.018 0.000 2.157 567 G HA2 -0.192 3.765 3.960 -0.006 0.000 0.248 567 G HA3 -0.192 3.765 3.960 -0.006 0.000 0.248 567 G C 0.187 175.100 174.900 0.022 0.000 0.979 567 G CA 0.815 45.930 45.100 0.025 0.000 0.650 567 G HN 0.696 nan 8.290 nan 0.000 0.529 568 E N -1.273 118.938 120.200 0.018 0.000 2.281 568 E HA 0.620 4.966 4.350 -0.006 0.000 0.257 568 E C -0.591 176.020 176.600 0.018 0.000 0.971 568 E CA -0.868 55.543 56.400 0.018 0.000 0.839 568 E CB 2.726 32.436 29.700 0.017 0.000 1.238 568 E HN 0.366 nan 8.360 nan 0.000 0.412 569 V N 2.888 122.814 119.914 0.021 0.000 2.277 569 V HA 0.063 4.180 4.120 -0.006 0.000 0.269 569 V C 0.533 176.640 176.094 0.021 0.000 1.036 569 V CA -0.020 62.295 62.300 0.025 0.000 0.821 569 V CB 0.518 32.362 31.823 0.036 0.000 1.052 569 V HN 0.625 nan 8.190 nan 0.000 0.462 570 V N 6.120 126.043 119.914 0.015 0.000 2.261 570 V HA 0.142 4.259 4.120 -0.006 0.000 0.246 570 V C 1.091 177.192 176.094 0.012 0.000 1.047 570 V CA 1.895 64.203 62.300 0.012 0.000 1.015 570 V CB -0.481 31.346 31.823 0.008 0.000 0.642 570 V HN 1.009 nan 8.190 nan 0.000 0.446 571 A N -1.403 121.422 122.820 0.008 0.000 2.547 571 A HA 0.864 5.181 4.320 -0.006 0.000 0.297 571 A C -0.944 176.629 177.584 -0.019 0.000 1.056 571 A CA 0.128 52.163 52.037 -0.004 0.000 0.688 571 A CB 1.751 20.746 19.000 -0.008 0.000 1.282 571 A HN 0.902 nan 8.150 nan 0.000 0.400 572 A N 0.906 123.701 122.820 -0.042 0.000 2.466 572 A HA 0.900 5.216 4.320 -0.006 0.000 0.284 572 A C 0.013 177.431 177.584 -0.277 0.000 1.049 572 A CA 0.373 52.346 52.037 -0.106 0.000 0.760 572 A CB 0.856 19.908 19.000 0.087 0.000 1.274 572 A HN 2.635 nan 8.150 nan 0.000 0.412 573 G N 0.222 108.657 108.800 -0.607 0.000 2.512 573 G HA2 0.661 4.617 3.960 -0.006 0.000 0.186 573 G HA3 0.661 4.617 3.960 -0.006 0.000 0.186 573 G C 0.032 174.571 174.900 -0.602 0.000 1.189 573 G CA 0.543 45.269 45.100 -0.624 0.000 0.994 573 G HN 1.616 nan 8.290 nan 0.000 0.506 574 T N -0.269 114.118 114.554 -0.278 0.000 2.828 574 T HA 0.524 4.870 4.350 -0.006 0.000 0.290 574 T C -1.354 173.269 174.700 -0.129 0.000 1.019 574 T CA -0.606 61.397 62.100 -0.162 0.000 1.031 574 T CB 1.953 70.780 68.868 -0.068 0.000 1.001 574 T HN 0.291 nan 8.240 nan 0.000 0.531 575 P HA 0.041 nan 4.420 nan 0.000 0.242 575 P C 0.788 178.070 177.300 -0.030 0.000 1.197 575 P CA 0.574 63.645 63.100 -0.047 0.000 0.765 575 P CB 0.200 31.887 31.700 -0.022 0.000 0.936 576 E N 0.582 120.762 120.200 -0.033 0.000 2.140 576 E HA -0.052 4.295 4.350 -0.006 0.000 0.191 576 E C 1.870 178.456 176.600 -0.024 0.000 0.973 576 E CA 0.806 57.194 56.400 -0.020 0.000 0.829 576 E CB -0.412 29.279 29.700 -0.015 0.000 0.781 576 E HN 0.438 nan 8.360 nan 0.000 0.466 577 E N 0.973 121.147 120.200 -0.042 0.000 2.072 577 E HA -0.019 4.328 4.350 -0.006 0.000 0.190 577 E C 1.006 177.582 176.600 -0.041 0.000 0.982 577 E CA 0.389 56.762 56.400 -0.044 0.000 0.803 577 E CB 0.219 29.881 29.700 -0.064 0.000 0.755 577 E HN -0.065 nan 8.360 nan 0.000 0.453 581 D N 0.971 121.375 120.400 0.006 0.000 2.461 581 D HA 0.389 5.025 4.640 -0.006 0.000 0.240 581 D C -1.726 174.582 176.300 0.015 0.000 1.094 581 D CA -1.795 52.209 54.000 0.007 0.000 0.868 581 D CB 2.107 42.908 40.800 0.002 0.000 1.062 581 D HN -0.129 nan 8.370 nan 0.000 0.530 582 P HA -0.112 nan 4.420 nan 0.000 0.218 582 P C 0.844 178.155 177.300 0.018 0.000 1.146 582 P CA 0.805 63.913 63.100 0.014 0.000 0.813 582 P CB 0.426 32.131 31.700 0.010 0.000 0.778 583 N N -1.361 117.350 118.700 0.018 0.000 2.409 583 N HA -0.041 4.696 4.740 -0.006 0.000 0.179 583 N C 0.589 176.114 175.510 0.026 0.000 1.032 583 N CA 0.643 53.705 53.050 0.020 0.000 0.898 583 N CB -0.577 37.919 38.487 0.016 0.000 0.971 583 N HN 0.041 nan 8.380 nan 0.000 0.441 584 S N 0.764 116.482 115.700 0.031 0.000 2.455 584 S HA 0.150 4.616 4.470 -0.006 0.000 0.278 584 S C 1.256 175.901 174.600 0.075 0.000 1.216 584 S CA -0.438 57.787 58.200 0.042 0.000 1.055 584 S CB 0.237 63.461 63.200 0.040 0.000 0.939 584 S HN 0.265 nan 8.310 nan 0.000 0.494 585 L N 5.230 126.501 121.223 0.079 0.000 2.201 585 L HA -0.033 4.303 4.340 -0.006 0.000 0.212 585 L C 2.158 179.206 176.870 0.297 0.000 1.105 585 L CA 1.516 56.443 54.840 0.144 0.000 0.775 585 L CB -0.406 41.700 42.059 0.079 0.000 0.913 585 L HN 0.705 nan 8.230 nan 0.000 0.440 586 T N -0.837 113.862 114.554 0.241 0.000 2.812 586 T HA -0.054 4.293 4.350 -0.006 0.000 0.264 586 T C 1.671 176.529 174.700 0.263 0.000 1.042 586 T CA 1.024 63.334 62.100 0.349 0.000 1.140 586 T CB -0.560 68.470 68.868 0.269 0.000 0.870 586 T HN 0.577 nan 8.240 nan 0.000 0.445 587 G N 1.243 110.138 108.800 0.158 0.000 2.450 587 G HA2 -0.247 3.709 3.960 -0.006 0.000 0.220 587 G HA3 -0.247 3.709 3.960 -0.006 0.000 0.220 587 G C 1.467 176.432 174.900 0.109 0.000 1.130 587 G CA 0.592 45.756 45.100 0.106 0.000 0.760 587 G HN 0.494 nan 8.290 nan 0.000 0.557 588 Q N -1.026 118.845 119.800 0.119 0.000 2.226 588 Q HA -0.089 4.247 4.340 -0.006 0.000 0.204 588 Q C 2.073 178.067 176.000 -0.010 0.000 0.975 588 Q CA 1.079 56.903 55.803 0.035 0.000 0.866 588 Q CB -0.150 28.580 28.738 -0.013 0.000 0.915 588 Q HN 0.702 nan 8.270 nan 0.000 0.440 589 Y N -0.267 120.087 120.300 0.091 0.000 2.397 589 Y HA -0.020 4.527 4.550 -0.006 0.000 0.292 589 Y C 1.860 177.798 175.900 0.062 0.000 1.115 589 Y CA 0.515 58.667 58.100 0.087 0.000 1.208 589 Y CB 0.233 38.726 38.460 0.055 0.000 1.046 589 Y HN 0.019 nan 8.280 nan 0.000 0.552 590 L N -0.781 120.557 121.223 0.190 0.000 2.072 590 L HA -0.163 4.173 4.340 -0.006 0.000 0.205 590 L C 2.541 179.452 176.870 0.068 0.000 1.079 590 L CA 1.503 56.407 54.840 0.108 0.000 0.752 590 L CB -0.741 41.367 42.059 0.082 0.000 0.906 590 L HN 0.233 nan 8.230 nan 0.000 0.436 591 S N -0.397 115.338 115.700 0.058 0.000 2.402 591 S HA -0.039 4.428 4.470 -0.006 0.000 0.229 591 S C 1.627 176.240 174.600 0.022 0.000 1.021 591 S CA 0.902 59.120 58.200 0.031 0.000 0.974 591 S CB -0.096 63.118 63.200 0.025 0.000 0.800 591 S HN 0.567 nan 8.310 nan 0.000 0.484 592 G N 0.884 109.706 108.800 0.036 0.000 2.148 592 G HA2 -0.212 3.745 3.960 -0.006 0.000 0.203 592 G HA3 -0.212 3.745 3.960 -0.006 0.000 0.203 592 G C 0.683 175.632 174.900 0.083 0.000 0.993 592 G CA 0.284 45.405 45.100 0.034 0.000 0.661 592 G HN 0.504 nan 8.290 nan 0.000 0.518 593 K N -0.352 120.072 120.400 0.040 0.000 2.026 593 K HA 0.008 4.325 4.320 -0.006 0.000 0.208 593 K C 1.306 177.922 176.600 0.028 0.000 1.048 593 K CA 1.396 57.704 56.287 0.034 0.000 0.929 593 K CB -0.009 32.482 32.500 -0.015 0.000 0.713 593 K HN 0.244 nan 8.250 nan 0.000 0.439 594 K N -0.014 120.287 120.400 -0.165 0.000 2.203 594 K HA 0.366 4.683 4.320 -0.006 0.000 0.251 594 K C -1.127 175.215 176.600 -0.431 0.000 0.944 594 K CA -0.770 55.249 56.287 -0.447 0.000 0.829 594 K CB 0.889 32.955 32.500 -0.723 0.000 1.125 594 K HN 0.012 nan 8.250 nan 0.000 0.430 595 F N 0.161 119.910 119.950 -0.336 0.000 2.807 595 F HA 0.495 5.019 4.527 -0.006 0.000 0.316 595 F C -1.254 174.601 175.800 0.092 0.000 1.162 595 F CA -1.303 56.690 58.000 -0.012 0.000 0.910 595 F CB 0.687 39.684 39.000 -0.006 0.000 1.314 595 F HN 0.197 nan 8.300 nan 0.000 0.454 596 I N 4.008 124.768 120.570 0.316 0.000 2.337 596 I HA 0.291 4.458 4.170 -0.006 0.000 0.291 596 I C -2.134 174.113 176.117 0.216 0.000 1.046 596 I CA -1.769 59.619 61.300 0.146 0.000 1.324 596 I CB 1.110 39.178 38.000 0.113 0.000 1.409 596 I HN 0.307 nan 8.210 nan 0.000 0.494 597 P HA 0.225 nan 4.420 nan 0.000 0.275 597 P C -0.381 176.962 177.300 0.072 0.000 1.228 597 P CA -0.149 63.046 63.100 0.159 0.000 0.786 597 P CB 1.146 32.855 31.700 0.016 0.000 0.927 598 I N 3.610 124.229 120.570 0.082 0.000 2.474 598 I HA 0.166 4.333 4.170 -0.006 0.000 0.287 598 I C -1.628 174.480 176.117 -0.015 0.000 1.048 598 I CA -2.023 59.287 61.300 0.016 0.000 1.383 598 I CB 0.072 38.084 38.000 0.019 0.000 1.412 598 I HN 0.218 nan 8.210 nan 0.000 0.531 599 P HA 0.049 nan 4.420 nan 0.000 0.268 599 P C 0.288 177.568 177.300 -0.032 0.000 1.208 599 P CA -0.148 62.918 63.100 -0.056 0.000 0.777 599 P CB 0.765 32.423 31.700 -0.070 0.000 0.875 600 A N 1.214 124.014 122.820 -0.034 0.000 1.877 600 A HA -0.106 4.211 4.320 -0.006 0.000 0.216 600 A C 0.934 178.505 177.584 -0.022 0.000 1.186 600 A CA 1.652 53.670 52.037 -0.033 0.000 0.620 600 A CB -0.537 18.442 19.000 -0.036 0.000 0.822 600 A HN 0.626 nan 8.150 nan 0.000 0.443 601 E N -1.397 118.796 120.200 -0.012 0.000 2.367 601 E HA 0.550 4.897 4.350 -0.006 0.000 0.273 601 E C -0.925 175.684 176.600 0.014 0.000 0.903 601 E CA -0.677 55.724 56.400 0.002 0.000 0.764 601 E CB 1.150 30.852 29.700 0.005 0.000 1.252 601 E HN 0.319 nan 8.360 nan 0.000 0.446 602 R N 2.310 122.828 120.500 0.030 0.000 2.532 602 R HA 0.501 4.838 4.340 -0.006 0.000 0.295 602 R C -0.264 176.073 176.300 0.062 0.000 0.968 602 R CA -0.980 55.152 56.100 0.053 0.000 0.916 602 R CB 1.333 31.672 30.300 0.065 0.000 1.124 602 R HN 0.373 nan 8.270 nan 0.000 0.463 603 R N 2.627 123.171 120.500 0.075 0.000 2.446 603 R HA 0.012 4.348 4.340 -0.006 0.000 0.325 603 R C -0.044 176.288 176.300 0.053 0.000 0.997 603 R CA 0.292 56.426 56.100 0.056 0.000 1.010 603 R CB 0.162 30.495 30.300 0.056 0.000 0.946 603 R HN 0.233 nan 8.270 nan 0.000 0.422 604 R N 4.100 124.626 120.500 0.043 0.000 2.389 604 R HA 0.120 4.456 4.340 -0.006 0.000 0.295 604 R C -1.751 174.547 176.300 -0.004 0.000 1.075 604 R CA -1.341 54.791 56.100 0.054 0.000 1.005 604 R CB 0.247 30.582 30.300 0.059 0.000 0.987 604 R HN 0.417 nan 8.270 nan 0.000 0.452 605 P HA -0.038 nan 4.420 nan 0.000 0.268 605 P C -0.850 176.368 177.300 -0.136 0.000 1.205 605 P CA -0.207 62.747 63.100 -0.243 0.000 0.771 605 P CB 0.647 32.036 31.700 -0.518 0.000 0.858 606 D N 1.550 121.823 120.400 -0.211 0.000 2.301 606 D HA 0.102 4.739 4.640 -0.006 0.000 0.287 606 D C 1.496 177.773 176.300 -0.039 0.000 1.179 606 D CA -0.057 53.885 54.000 -0.097 0.000 1.060 606 D CB -0.909 39.827 40.800 -0.106 0.000 1.135 606 D HN 0.356 nan 8.370 nan 0.000 0.531 607 G N -1.808 106.986 108.800 -0.011 0.000 2.985 607 G HA2 0.047 4.004 3.960 -0.006 0.000 0.209 607 G HA3 0.047 4.004 3.960 -0.006 0.000 0.209 607 G C 0.152 175.078 174.900 0.044 0.000 1.165 607 G CA -0.371 44.794 45.100 0.109 0.000 0.776 607 G HN 0.217 nan 8.290 nan 0.000 0.541 608 R N -0.150 120.176 120.500 -0.291 0.000 2.207 608 R HA 0.488 4.824 4.340 -0.006 0.000 0.334 608 R C -1.559 174.425 176.300 -0.527 0.000 1.013 608 R CA -0.536 55.203 56.100 -0.602 0.000 0.858 608 R CB 0.951 30.830 30.300 -0.702 0.000 1.094 608 R HN 0.204 nan 8.270 nan 0.000 0.457 609 W N 3.288 124.441 121.300 -0.246 0.000 3.129 609 W HA 0.375 5.031 4.660 -0.006 0.000 0.333 609 W C -0.742 175.756 176.519 -0.034 0.000 1.141 609 W CA -0.599 56.671 57.345 -0.125 0.000 1.224 609 W CB 1.166 30.572 29.460 -0.089 0.000 1.393 609 W HN 0.236 nan 8.180 nan 0.000 0.499 610 L N 2.834 124.162 121.223 0.176 0.000 2.326 610 L HA 0.397 4.734 4.340 -0.006 0.000 0.278 610 L C 0.164 177.128 176.870 0.156 0.000 1.092 610 L CA -0.378 54.544 54.840 0.137 0.000 0.810 610 L CB 0.859 42.960 42.059 0.070 0.000 1.153 610 L HN 0.415 nan 8.230 nan 0.000 0.439 611 E N 2.874 123.147 120.200 0.122 0.000 2.331 611 E HA 0.228 4.575 4.350 -0.006 0.000 0.243 611 E C -0.891 175.758 176.600 0.082 0.000 0.925 611 E CA -0.555 55.903 56.400 0.096 0.000 0.760 611 E CB 1.863 31.605 29.700 0.071 0.000 1.254 611 E HN 0.405 nan 8.360 nan 0.000 0.419 612 V N 0.755 120.719 119.914 0.083 0.000 2.470 612 V HA 0.376 4.493 4.120 -0.006 0.000 0.276 612 V C 0.044 176.185 176.094 0.079 0.000 1.040 612 V CA -0.413 61.941 62.300 0.091 0.000 1.008 612 V CB 0.906 32.775 31.823 0.076 0.000 0.990 612 V HN 0.241 nan 8.190 nan 0.000 0.477 613 V N 4.725 124.691 119.914 0.086 0.000 2.555 613 V HA 0.780 4.897 4.120 -0.006 0.000 0.302 613 V C 1.173 177.296 176.094 0.048 0.000 1.038 613 V CA 0.159 62.488 62.300 0.049 0.000 0.887 613 V CB 1.079 32.914 31.823 0.021 0.000 0.991 613 V HN 1.547 nan 8.190 nan 0.000 0.434 614 G N 3.865 112.684 108.800 0.032 0.000 2.395 614 G HA2 -0.082 3.874 3.960 -0.006 0.000 0.300 614 G HA3 -0.082 3.874 3.960 -0.006 0.000 0.300 614 G C 0.373 175.302 174.900 0.049 0.000 0.998 614 G CA 0.247 45.362 45.100 0.026 0.000 1.046 614 G HN 1.541 nan 8.290 nan 0.000 0.513 615 A N -0.214 122.648 122.820 0.069 0.000 2.454 615 A HA 0.685 5.001 4.320 -0.006 0.000 0.260 615 A C 1.194 178.807 177.584 0.049 0.000 1.106 615 A CA 0.232 52.319 52.037 0.084 0.000 0.780 615 A CB 0.258 19.300 19.000 0.070 0.000 1.044 615 A HN 0.700 nan 8.150 nan 0.000 0.498 616 R N 1.788 122.312 120.500 0.040 0.000 2.569 616 R HA 0.086 4.423 4.340 -0.006 0.000 0.422 616 R C 0.693 176.993 176.300 0.000 0.000 0.980 616 R CA -0.212 55.900 56.100 0.020 0.000 1.164 616 R CB 0.207 30.514 30.300 0.012 0.000 1.520 616 R HN 0.802 nan 8.270 nan 0.000 0.567 617 E N 1.845 122.037 120.200 -0.013 0.000 1.927 617 E HA -0.226 4.121 4.350 -0.006 0.000 0.221 617 E C 0.873 177.395 176.600 -0.129 0.000 0.965 617 E CA 2.082 58.426 56.400 -0.093 0.000 0.881 617 E CB -0.091 29.548 29.700 -0.102 0.000 0.810 617 E HN 0.405 nan 8.360 nan 0.000 0.569 618 H N -0.857 118.220 119.070 0.012 0.000 2.428 618 H HA 0.098 4.650 4.556 -0.006 0.000 0.323 618 H C 1.377 176.712 175.328 0.013 0.000 1.091 618 H CA 1.377 57.433 56.048 0.013 0.000 1.501 618 H CB -0.219 29.552 29.762 0.016 0.000 1.508 618 H HN 0.400 nan 8.280 nan 0.000 0.608 619 N N 1.474 120.272 118.700 0.164 0.000 2.270 619 N HA 0.014 4.751 4.740 -0.006 0.000 0.198 619 N C -0.564 174.977 175.510 0.053 0.000 1.117 619 N CA 0.035 53.134 53.050 0.082 0.000 0.845 619 N CB -0.185 38.335 38.487 0.055 0.000 0.980 619 N HN 0.236 nan 8.380 nan 0.000 0.486 620 L N 0.660 121.915 121.223 0.054 0.000 2.455 620 L HA 0.122 4.459 4.340 -0.006 0.000 0.272 620 L C 0.254 177.142 176.870 0.030 0.000 1.174 620 L CA -0.026 54.837 54.840 0.037 0.000 0.869 620 L CB 0.329 42.411 42.059 0.038 0.000 1.130 620 L HN -0.177 nan 8.230 nan 0.000 0.474 621 K N 3.083 123.498 120.400 0.025 0.000 2.291 621 K HA 0.131 4.448 4.320 -0.006 0.000 0.242 621 K C 0.129 176.741 176.600 0.019 0.000 1.098 621 K CA -0.288 56.011 56.287 0.021 0.000 1.036 621 K CB -0.162 32.350 32.500 0.019 0.000 1.655 621 K HN 0.439 nan 8.250 nan 0.000 0.432 622 N N 0.406 119.117 118.700 0.019 0.000 2.708 622 N HA -0.197 4.539 4.740 -0.006 0.000 0.251 622 N C -0.818 174.705 175.510 0.021 0.000 1.017 622 N CA 0.428 53.489 53.050 0.018 0.000 0.742 622 N CB -0.852 37.641 38.487 0.011 0.000 0.943 622 N HN 0.215 nan 8.380 nan 0.000 0.539 623 V N 0.107 120.037 119.914 0.028 0.000 2.843 623 V HA 0.281 4.398 4.120 -0.006 0.000 0.305 623 V C 0.899 177.015 176.094 0.036 0.000 1.065 623 V CA 0.289 62.608 62.300 0.031 0.000 1.116 623 V CB 1.470 33.314 31.823 0.035 0.000 0.968 623 V HN 0.427 nan 8.190 nan 0.000 0.487 624 S N 3.495 119.215 115.700 0.034 0.000 2.672 624 S HA 0.750 5.216 4.470 -0.006 0.000 0.291 624 S C -1.117 173.509 174.600 0.043 0.000 1.145 624 S CA -0.479 57.742 58.200 0.036 0.000 1.013 624 S CB 1.299 64.511 63.200 0.021 0.000 1.017 624 S HN 0.492 nan 8.310 nan 0.000 0.487 625 V N 4.431 124.379 119.914 0.058 0.000 2.925 625 V HA 0.593 4.710 4.120 -0.006 0.000 0.311 625 V C -1.238 174.915 176.094 0.100 0.000 1.104 625 V CA -1.118 61.232 62.300 0.082 0.000 0.954 625 V CB 2.407 34.286 31.823 0.095 0.000 1.022 625 V HN 0.812 nan 8.190 nan 0.000 0.427 626 K N 3.621 124.104 120.400 0.139 0.000 2.307 626 K HA 0.694 5.011 4.320 -0.006 0.000 0.263 626 K C -1.046 175.735 176.600 0.301 0.000 0.973 626 K CA -0.151 56.259 56.287 0.205 0.000 0.846 626 K CB 1.654 34.203 32.500 0.081 0.000 1.100 626 K HN 0.525 nan 8.250 nan 0.000 0.438 627 I N 5.469 126.170 120.570 0.218 0.000 2.321 627 I HA 0.279 4.445 4.170 -0.006 0.000 0.291 627 I C -2.098 173.941 176.117 -0.130 0.000 0.998 627 I CA -2.404 58.920 61.300 0.040 0.000 1.227 627 I CB 1.578 39.584 38.000 0.011 0.000 1.368 627 I HN 0.380 nan 8.210 nan 0.000 0.466 628 P HA 0.274 nan 4.420 nan 0.000 0.286 628 P C -0.765 176.161 177.300 -0.622 0.000 1.269 628 P CA -0.206 62.257 63.100 -1.063 0.000 0.787 628 P CB 1.075 31.900 31.700 -1.458 0.000 0.920 629 L N 1.732 122.612 121.223 -0.571 0.000 2.416 629 L HA 0.546 4.882 4.340 -0.006 0.000 0.262 629 L C 1.529 178.215 176.870 -0.305 0.000 1.093 629 L CA -0.341 54.293 54.840 -0.344 0.000 0.801 629 L CB 0.138 42.031 42.059 -0.277 0.000 1.191 629 L HN 0.686 nan 8.230 nan 0.000 0.459 630 G N 0.318 109.006 108.800 -0.187 0.000 2.221 630 G HA2 -0.232 3.725 3.960 -0.006 0.000 0.265 630 G HA3 -0.232 3.725 3.960 -0.006 0.000 0.265 630 G C 0.046 174.881 174.900 -0.109 0.000 1.041 630 G CA 0.588 45.611 45.100 -0.128 0.000 0.807 630 G HN 0.862 nan 8.290 nan 0.000 0.502 631 T N -1.916 112.572 114.554 -0.110 0.000 2.840 631 T HA 0.544 4.891 4.350 -0.006 0.000 0.317 631 T C -0.968 173.721 174.700 -0.019 0.000 1.401 631 T CA -0.492 61.578 62.100 -0.050 0.000 1.028 631 T CB 1.159 69.974 68.868 -0.089 0.000 1.317 631 T HN 0.993 nan 8.240 nan 0.000 0.495 632 F N 3.981 123.869 119.950 -0.104 0.000 2.434 632 F HA 0.613 5.137 4.527 -0.006 0.000 0.358 632 F C -0.351 175.436 175.800 -0.021 0.000 1.136 632 F CA -0.136 57.786 58.000 -0.130 0.000 1.157 632 F CB 0.409 39.238 39.000 -0.286 0.000 1.167 632 F HN 0.349 nan 8.300 nan 0.000 0.539 633 V N 5.662 125.488 119.914 -0.147 0.000 2.483 633 V HA 0.708 4.825 4.120 -0.006 0.000 0.295 633 V C -0.105 175.962 176.094 -0.044 0.000 1.035 633 V CA -0.795 61.513 62.300 0.012 0.000 0.896 633 V CB 1.423 33.233 31.823 -0.022 0.000 0.986 633 V HN 0.850 nan 8.190 nan 0.000 0.447 634 A N 4.276 127.166 122.820 0.117 0.000 2.310 634 A HA 0.705 5.022 4.320 -0.006 0.000 0.304 634 A C -0.687 176.937 177.584 0.068 0.000 1.231 634 A CA -0.466 51.626 52.037 0.092 0.000 0.799 634 A CB 1.149 20.259 19.000 0.184 0.000 1.162 634 A HN 0.640 nan 8.150 nan 0.000 0.486 635 V N 3.366 123.292 119.914 0.020 0.000 2.356 635 V HA 0.328 4.445 4.120 -0.006 0.000 0.258 635 V C 0.887 176.972 176.094 -0.015 0.000 1.065 635 V CA 0.282 62.592 62.300 0.017 0.000 0.935 635 V CB 0.530 32.354 31.823 0.001 0.000 1.061 635 V HN 0.946 nan 8.190 nan 0.000 0.484 636 T N 3.457 118.015 114.554 0.007 0.000 2.948 636 T HA 0.892 5.238 4.350 -0.006 0.000 0.285 636 T C -0.045 174.662 174.700 0.012 0.000 1.019 636 T CA 0.334 62.430 62.100 -0.006 0.000 1.013 636 T CB 1.686 70.586 68.868 0.054 0.000 1.117 636 T HN 1.213 nan 8.240 nan 0.000 0.533 637 G N 0.391 109.222 108.800 0.051 0.000 2.345 637 G HA2 0.361 4.318 3.960 -0.006 0.000 0.310 637 G HA3 0.361 4.318 3.960 -0.006 0.000 0.310 637 G C -0.662 174.253 174.900 0.025 0.000 1.476 637 G CA -0.279 44.830 45.100 0.014 0.000 0.978 637 G HN 1.411 nan 8.290 nan 0.000 0.656 638 V N -0.452 119.330 119.914 -0.220 0.000 2.963 638 V HA 0.651 4.767 4.120 -0.006 0.000 0.306 638 V C 1.072 177.139 176.094 -0.045 0.000 1.077 638 V CA 0.214 62.385 62.300 -0.216 0.000 1.124 638 V CB 1.050 32.633 31.823 -0.399 0.000 0.987 638 V HN 1.987 nan 8.190 nan 0.000 0.487 639 S N 2.259 117.968 115.700 0.016 0.000 2.537 639 S HA 0.504 4.970 4.470 -0.006 0.000 0.286 639 S C 1.251 175.538 174.600 -0.523 0.000 1.299 639 S CA 0.076 58.221 58.200 -0.092 0.000 1.067 639 S CB 0.223 63.452 63.200 0.048 0.000 0.864 639 S HN 2.704 nan 8.310 nan 0.000 0.494 640 G N 2.186 110.519 108.800 -0.780 0.000 2.194 640 G HA2 -0.339 3.618 3.960 -0.006 0.000 0.236 640 G HA3 -0.339 3.618 3.960 -0.006 0.000 0.236 640 G C 0.994 175.641 174.900 -0.423 0.000 0.987 640 G CA 0.529 44.983 45.100 -1.076 0.000 0.635 640 G HN 1.578 nan 8.290 nan 0.000 0.520 641 S N 0.001 115.543 115.700 -0.263 0.000 2.474 641 S HA 0.359 4.825 4.470 -0.006 0.000 0.235 641 S C 2.175 176.724 174.600 -0.086 0.000 0.997 641 S CA 1.612 59.730 58.200 -0.137 0.000 0.949 641 S CB -0.015 63.125 63.200 -0.099 0.000 0.766 641 S HN 2.434 nan 8.310 nan 0.000 0.517 642 G N 1.070 109.813 108.800 -0.094 0.000 2.135 642 G HA2 -0.198 3.759 3.960 -0.006 0.000 0.183 642 G HA3 -0.198 3.759 3.960 -0.006 0.000 0.183 642 G C 0.583 175.474 174.900 -0.014 0.000 1.004 642 G CA 0.180 45.260 45.100 -0.033 0.000 0.677 642 G HN 0.484 nan 8.290 nan 0.000 0.512 643 K N 0.559 120.940 120.400 -0.032 0.000 2.025 643 K HA -0.030 4.286 4.320 -0.006 0.000 0.207 643 K C 2.659 179.255 176.600 -0.007 0.000 1.049 643 K CA 1.660 57.935 56.287 -0.021 0.000 0.933 643 K CB -0.254 32.220 32.500 -0.043 0.000 0.714 643 K HN 0.349 nan 8.250 nan 0.000 0.438 644 S N 0.969 116.666 115.700 -0.004 0.000 2.351 644 S HA -0.167 4.299 4.470 -0.006 0.000 0.220 644 S C 2.148 176.769 174.600 0.034 0.000 1.035 644 S CA 2.015 60.222 58.200 0.012 0.000 1.031 644 S CB -0.734 62.476 63.200 0.017 0.000 0.928 644 S HN 0.338 nan 8.310 nan 0.000 0.433 645 T N 3.083 117.670 114.554 0.055 0.000 2.597 645 T HA -0.150 4.196 4.350 -0.006 0.000 0.267 645 T C 1.752 176.481 174.700 0.048 0.000 1.053 645 T CA 1.531 63.688 62.100 0.094 0.000 1.165 645 T CB -0.668 68.291 68.868 0.152 0.000 0.863 645 T HN 0.232 nan 8.240 nan 0.000 0.427 646 L N 0.692 121.935 121.223 0.033 0.000 2.005 646 L HA -0.098 4.239 4.340 -0.006 0.000 0.207 646 L C 2.532 179.411 176.870 0.014 0.000 1.072 646 L CA 1.384 56.236 54.840 0.019 0.000 0.744 646 L CB -0.307 41.765 42.059 0.023 0.000 0.895 646 L HN 0.144 nan 8.230 nan 0.000 0.433 647 V N 0.007 119.931 119.914 0.017 0.000 2.379 647 V HA -0.226 3.891 4.120 -0.006 0.000 0.245 647 V C 2.158 178.276 176.094 0.041 0.000 1.044 647 V CA 2.097 64.408 62.300 0.017 0.000 1.036 647 V CB -0.642 31.180 31.823 -0.003 0.000 0.664 647 V HN 0.562 nan 8.190 nan 0.000 0.453 648 N N -0.328 118.399 118.700 0.045 0.000 2.508 648 N HA -0.055 4.681 4.740 -0.006 0.000 0.186 648 N C 1.863 177.438 175.510 0.109 0.000 1.034 648 N CA 0.772 53.877 53.050 0.092 0.000 0.885 648 N CB 0.550 39.062 38.487 0.041 0.000 1.135 648 N HN 0.366 nan 8.380 nan 0.000 0.435 649 E N 0.021 120.259 120.200 0.063 0.000 2.208 649 E HA 0.009 4.356 4.350 -0.006 0.000 0.193 649 E C 1.670 178.254 176.600 -0.026 0.000 0.988 649 E CA 0.678 57.103 56.400 0.041 0.000 0.828 649 E CB 0.317 30.058 29.700 0.067 0.000 0.763 649 E HN 0.141 nan 8.360 nan 0.000 0.478 650 V N -0.594 119.288 119.914 -0.055 0.000 2.784 650 V HA -0.015 4.102 4.120 -0.006 0.000 0.231 650 V C 1.872 177.836 176.094 -0.217 0.000 1.128 650 V CA 0.660 62.850 62.300 -0.184 0.000 1.178 650 V CB -0.521 31.212 31.823 -0.150 0.000 0.943 650 V HN 0.209 nan 8.190 nan 0.000 0.500 651 L N -0.007 121.159 121.223 -0.095 0.000 1.961 651 L HA -0.209 4.128 4.340 -0.006 0.000 0.210 651 L C 2.354 179.221 176.870 -0.005 0.000 1.072 651 L CA 2.487 57.297 54.840 -0.050 0.000 0.749 651 L CB -1.049 41.015 42.059 0.009 0.000 0.889 651 L HN 0.492 nan 8.230 nan 0.000 0.432 652 Y N 0.212 120.476 120.300 -0.059 0.000 2.165 652 Y HA -0.291 4.255 4.550 -0.006 0.000 0.286 652 Y C 2.428 178.308 175.900 -0.033 0.000 1.155 652 Y CA 2.171 60.249 58.100 -0.036 0.000 1.164 652 Y CB -0.046 38.399 38.460 -0.025 0.000 0.978 652 Y HN 0.217 nan 8.280 nan 0.000 0.513 653 K N -0.118 120.158 120.400 -0.206 0.000 2.148 653 K HA -0.091 4.226 4.320 -0.006 0.000 0.204 653 K C 2.271 178.734 176.600 -0.227 0.000 1.050 653 K CA 0.823 56.946 56.287 -0.272 0.000 0.942 653 K CB -0.214 32.214 32.500 -0.120 0.000 0.724 653 K HN 0.419 nan 8.250 nan 0.000 0.446 654 A N 1.424 124.127 122.820 -0.196 0.000 1.854 654 A HA -0.086 4.230 4.320 -0.006 0.000 0.214 654 A C 2.098 179.617 177.584 -0.107 0.000 1.192 654 A CA 1.060 53.020 52.037 -0.129 0.000 0.611 654 A CB -0.600 18.300 19.000 -0.168 0.000 0.832 654 A HN 0.124 nan 8.150 nan 0.000 0.442 655 L N -0.612 120.537 121.223 -0.123 0.000 2.083 655 L HA -0.185 4.152 4.340 -0.006 0.000 0.209 655 L C 3.051 179.826 176.870 -0.159 0.000 1.083 655 L CA 1.015 55.790 54.840 -0.108 0.000 0.752 655 L CB -0.560 41.465 42.059 -0.056 0.000 0.899 655 L HN 0.440 nan 8.230 nan 0.000 0.433 656 A N 0.579 123.242 122.820 -0.261 0.000 1.933 656 A HA -0.250 4.066 4.320 -0.006 0.000 0.218 656 A C 2.297 179.810 177.584 -0.118 0.000 1.175 656 A CA 1.705 53.611 52.037 -0.218 0.000 0.628 656 A CB -0.530 18.126 19.000 -0.574 0.000 0.814 656 A HN 0.632 nan 8.150 nan 0.000 0.444 657 Q N -1.107 118.613 119.800 -0.133 0.000 2.172 657 Q HA -0.103 4.234 4.340 -0.006 0.000 0.200 657 Q C 1.634 177.590 176.000 -0.073 0.000 0.964 657 Q CA 1.298 57.053 55.803 -0.080 0.000 0.855 657 Q CB -0.117 28.583 28.738 -0.062 0.000 0.918 657 Q HN 0.363 nan 8.270 nan 0.000 0.444 658 K N 0.973 121.317 120.400 -0.094 0.000 2.067 658 K HA 0.080 4.397 4.320 -0.006 0.000 0.203 658 K C 2.158 178.666 176.600 -0.154 0.000 1.048 658 K CA 0.839 57.069 56.287 -0.095 0.000 0.954 658 K CB -0.146 32.307 32.500 -0.078 0.000 0.737 658 K HN 0.287 nan 8.250 nan 0.000 0.444 659 L N -0.020 121.045 121.223 -0.264 0.000 2.131 659 L HA -0.097 4.240 4.340 -0.006 0.000 0.206 659 L C 0.940 177.433 176.870 -0.628 0.000 1.087 659 L CA 1.289 55.835 54.840 -0.489 0.000 0.767 659 L CB -0.280 41.357 42.059 -0.704 0.000 0.917 659 L HN 0.303 nan 8.230 nan 0.000 0.441 660 H N -1.911 117.127 119.070 -0.054 0.000 2.767 660 H HA 0.297 4.850 4.556 -0.006 0.000 0.260 660 H C -0.065 175.240 175.328 -0.039 0.000 1.172 660 H CA -0.512 55.511 56.048 -0.041 0.000 1.048 660 H CB 0.567 30.305 29.762 -0.041 0.000 1.697 660 H HN -0.063 nan 8.280 nan 0.000 0.606 661 R N 0.407 120.916 120.500 0.015 0.000 3.516 661 R HA -0.174 4.162 4.340 -0.006 0.000 0.271 661 R C -0.023 176.282 176.300 0.008 0.000 1.098 661 R CA 0.362 56.467 56.100 0.008 0.000 0.732 661 R CB -1.767 28.544 30.300 0.018 0.000 1.152 661 R HN 0.462 nan 8.270 nan 0.000 0.455 662 A N 0.551 123.371 122.820 -0.000 0.000 2.507 662 A HA 0.156 4.473 4.320 -0.006 0.000 0.235 662 A C 1.122 178.673 177.584 -0.054 0.000 1.070 662 A CA 0.517 52.535 52.037 -0.031 0.000 0.768 662 A CB 0.406 19.361 19.000 -0.075 0.000 1.011 662 A HN 0.286 nan 8.150 nan 0.000 0.502 663 K N 0.739 121.095 120.400 -0.072 0.000 2.352 663 K HA 0.322 4.638 4.320 -0.006 0.000 0.194 663 K C 0.865 177.398 176.600 -0.112 0.000 1.038 663 K CA 0.783 57.005 56.287 -0.108 0.000 1.023 663 K CB 0.104 32.504 32.500 -0.166 0.000 0.840 663 K HN 0.860 nan 8.250 nan 0.000 0.519 664 A N 1.782 124.547 122.820 -0.091 0.000 2.565 664 A HA -0.044 4.273 4.320 -0.006 0.000 0.237 664 A C -0.187 177.354 177.584 -0.071 0.000 1.053 664 A CA 0.209 52.200 52.037 -0.076 0.000 0.755 664 A CB -0.106 18.860 19.000 -0.056 0.000 0.980 664 A HN 0.240 nan 8.150 nan 0.000 0.506 665 K N 4.574 124.938 120.400 -0.060 0.000 2.338 665 K HA 0.250 4.566 4.320 -0.006 0.000 0.290 665 K C -2.206 174.371 176.600 -0.038 0.000 1.069 665 K CA -1.523 54.738 56.287 -0.043 0.000 0.941 665 K CB 0.448 32.924 32.500 -0.040 0.000 1.023 665 K HN 0.530 nan 8.250 nan 0.000 0.477 666 P HA 0.054 nan 4.420 nan 0.000 0.272 666 P C 0.029 177.306 177.300 -0.038 0.000 1.240 666 P CA -0.360 62.703 63.100 -0.061 0.000 0.791 666 P CB 0.511 32.160 31.700 -0.084 0.000 0.978 667 G N 0.070 108.823 108.800 -0.078 0.000 2.606 667 G HA2 0.071 4.028 3.960 -0.006 0.000 0.252 667 G HA3 0.071 4.028 3.960 -0.006 0.000 0.252 667 G C -0.325 174.595 174.900 0.034 0.000 1.206 667 G CA -0.452 44.616 45.100 -0.054 0.000 0.861 667 G HN 0.633 nan 8.290 nan 0.000 0.561 668 E N 0.251 120.464 120.200 0.022 0.000 2.498 668 E HA 0.144 4.490 4.350 -0.006 0.000 0.252 668 E C 0.050 176.744 176.600 0.157 0.000 1.025 668 E CA 0.179 56.621 56.400 0.070 0.000 0.938 668 E CB -0.158 29.542 29.700 0.000 0.000 0.947 668 E HN 0.733 nan 8.360 nan 0.000 0.478 669 H N 1.345 120.399 119.070 -0.028 0.000 3.037 669 H HA 0.375 4.928 4.556 -0.006 0.000 0.355 669 H C 0.105 175.423 175.328 -0.017 0.000 1.263 669 H CA -1.160 54.877 56.048 -0.018 0.000 1.129 669 H CB 1.048 30.803 29.762 -0.012 0.000 1.861 669 H HN 0.296 nan 8.280 nan 0.000 0.546 670 R N 0.435 120.848 120.500 -0.144 0.000 2.052 670 R HA 0.211 4.548 4.340 -0.006 0.000 0.224 670 R C -0.532 175.590 176.300 -0.296 0.000 1.149 670 R CA 1.913 57.899 56.100 -0.191 0.000 0.962 670 R CB 0.015 30.269 30.300 -0.077 0.000 0.856 670 R HN 0.790 nan 8.270 nan 0.000 0.433 671 D N -2.412 117.879 120.400 -0.182 0.000 2.671 671 D HA 0.378 5.014 4.640 -0.006 0.000 0.273 671 D C -1.602 174.738 176.300 0.067 0.000 1.264 671 D CA -0.481 53.452 54.000 -0.112 0.000 0.788 671 D CB 1.284 42.043 40.800 -0.069 0.000 1.324 671 D HN 0.049 nan 8.370 nan 0.000 0.424 672 I N 1.983 122.604 120.570 0.085 0.000 2.529 672 I HA 0.390 4.557 4.170 -0.006 0.000 0.284 672 I C -0.338 175.815 176.117 0.061 0.000 1.088 672 I CA -0.700 60.660 61.300 0.101 0.000 1.062 672 I CB 1.582 39.661 38.000 0.130 0.000 1.218 672 I HN 0.099 nan 8.210 nan 0.000 0.442 673 R N 2.569 123.105 120.500 0.060 0.000 2.608 673 R HA 0.737 5.074 4.340 -0.006 0.000 0.255 673 R C 0.935 177.288 176.300 0.089 0.000 1.086 673 R CA -0.100 56.033 56.100 0.055 0.000 1.125 673 R CB 0.690 31.021 30.300 0.051 0.000 1.193 673 R HN 0.813 nan 8.270 nan 0.000 0.553 674 G N 0.104 108.965 108.800 0.100 0.000 2.143 674 G HA2 -0.253 3.704 3.960 -0.006 0.000 0.248 674 G HA3 -0.253 3.704 3.960 -0.006 0.000 0.248 674 G C 0.348 175.313 174.900 0.108 0.000 0.991 674 G CA 0.418 45.641 45.100 0.205 0.000 0.689 674 G HN 0.436 nan 8.290 nan 0.000 0.522 675 L N 1.073 122.308 121.223 0.020 0.000 2.478 675 L HA 0.195 4.532 4.340 -0.006 0.000 0.223 675 L C 2.506 179.342 176.870 -0.056 0.000 1.140 675 L CA 2.175 57.008 54.840 -0.012 0.000 0.842 675 L CB -0.087 41.959 42.059 -0.021 0.000 0.953 675 L HN 0.490 nan 8.230 nan 0.000 0.452 676 E N -2.169 117.957 120.200 -0.122 0.000 2.481 676 E HA -0.162 4.185 4.350 -0.006 0.000 0.195 676 E C 0.966 177.445 176.600 -0.202 0.000 1.047 676 E CA 0.703 56.997 56.400 -0.177 0.000 0.867 676 E CB -0.608 28.958 29.700 -0.224 0.000 0.858 676 E HN 0.563 nan 8.360 nan 0.000 0.513 677 H N 0.775 119.833 119.070 -0.020 0.000 2.539 677 H HA 0.246 4.799 4.556 -0.006 0.000 0.267 677 H C 0.247 175.551 175.328 -0.039 0.000 0.982 677 H CA 0.340 56.373 56.048 -0.025 0.000 1.146 677 H CB 0.295 30.044 29.762 -0.022 0.000 1.382 677 H HN 0.168 nan 8.280 nan 0.000 0.577 678 L N -2.986 118.261 121.223 0.040 0.000 2.556 678 L HA 0.399 4.736 4.340 -0.006 0.000 0.257 678 L C -0.107 176.740 176.870 -0.039 0.000 0.955 678 L CA -0.762 54.076 54.840 -0.003 0.000 0.850 678 L CB 1.634 43.685 42.059 -0.012 0.000 1.398 678 L HN -0.382 nan 8.230 nan 0.000 0.412 679 D N 0.371 120.746 120.400 -0.042 0.000 2.324 679 D HA 0.089 4.726 4.640 -0.006 0.000 0.212 679 D C -0.064 176.196 176.300 -0.066 0.000 0.984 679 D CA 0.974 54.940 54.000 -0.056 0.000 0.885 679 D CB 0.620 41.404 40.800 -0.027 0.000 0.996 679 D HN 0.737 nan 8.370 nan 0.000 0.505 680 K N -0.255 120.138 120.400 -0.012 0.000 2.508 680 K HA 0.598 4.914 4.320 -0.006 0.000 0.260 680 K C -1.305 175.342 176.600 0.077 0.000 0.949 680 K CA -0.832 55.535 56.287 0.134 0.000 0.834 680 K CB 2.749 35.376 32.500 0.211 0.000 1.365 680 K HN -0.314 nan 8.250 nan 0.000 0.437 681 V N 3.033 123.101 119.914 0.255 0.000 2.409 681 V HA 0.328 4.444 4.120 -0.006 0.000 0.290 681 V C -0.716 175.473 176.094 0.160 0.000 1.017 681 V CA -0.872 61.523 62.300 0.158 0.000 0.841 681 V CB 1.216 33.187 31.823 0.245 0.000 1.003 681 V HN 0.670 nan 8.190 nan 0.000 0.426 682 I N 3.484 124.039 120.570 -0.025 0.000 2.336 682 I HA 0.408 4.575 4.170 -0.006 0.000 0.292 682 I C -0.148 175.951 176.117 -0.031 0.000 0.991 682 I CA -0.308 60.986 61.300 -0.010 0.000 1.227 682 I CB 1.532 39.522 38.000 -0.016 0.000 1.366 682 I HN 0.591 nan 8.210 nan 0.000 0.466 683 D N 7.442 127.756 120.400 -0.144 0.000 2.412 683 D HA 0.320 4.956 4.640 -0.006 0.000 0.224 683 D C -0.123 176.073 176.300 -0.173 0.000 1.093 683 D CA -0.356 53.426 54.000 -0.363 0.000 0.850 683 D CB 0.647 40.819 40.800 -1.046 0.000 1.046 683 D HN 0.356 nan 8.370 nan 0.000 0.507 684 I N 3.501 124.019 120.570 -0.087 0.000 2.227 684 I HA 0.081 4.248 4.170 -0.006 0.000 0.297 684 I C 0.786 176.857 176.117 -0.076 0.000 1.173 684 I CA -0.549 60.726 61.300 -0.042 0.000 1.356 684 I CB -0.027 37.972 38.000 -0.002 0.000 1.485 684 I HN 0.308 nan 8.210 nan 0.000 0.604 685 D N 3.771 124.119 120.400 -0.087 0.000 2.362 685 D HA -0.090 4.547 4.640 -0.006 0.000 0.238 685 D C 0.654 176.917 176.300 -0.062 0.000 1.212 685 D CA 0.358 54.309 54.000 -0.082 0.000 0.902 685 D CB 0.971 41.730 40.800 -0.069 0.000 1.180 685 D HN 0.470 nan 8.370 nan 0.000 0.445 686 Q N 0.393 120.161 119.800 -0.053 0.000 2.220 686 Q HA 0.100 4.436 4.340 -0.006 0.000 0.205 686 Q C -0.088 175.885 176.000 -0.045 0.000 0.865 686 Q CA -0.393 55.381 55.803 -0.047 0.000 0.960 686 Q CB 0.104 28.822 28.738 -0.034 0.000 1.097 686 Q HN 0.488 nan 8.270 nan 0.000 0.493 687 S N 0.659 116.333 115.700 -0.042 0.000 2.624 687 S HA 0.418 4.885 4.470 -0.006 0.000 0.263 687 S C -2.268 172.301 174.600 -0.050 0.000 1.287 687 S CA -1.278 56.902 58.200 -0.033 0.000 0.990 687 S CB 0.596 63.785 63.200 -0.017 0.000 0.950 687 S HN 0.100 nan 8.310 nan 0.000 0.561 688 P HA 0.231 nan 4.420 nan 0.000 0.272 688 P C 0.472 177.728 177.300 -0.073 0.000 1.230 688 P CA -0.411 62.656 63.100 -0.055 0.000 0.788 688 P CB 0.480 32.165 31.700 -0.025 0.000 0.949 689 I N -0.510 119.987 120.570 -0.123 0.000 2.584 689 I HA 0.100 4.267 4.170 -0.006 0.000 0.255 689 I C 1.396 177.518 176.117 0.010 0.000 1.145 689 I CA 1.109 62.305 61.300 -0.173 0.000 1.462 689 I CB -0.250 37.557 38.000 -0.322 0.000 1.102 689 I HN 0.479 nan 8.210 nan 0.000 0.433 690 G N -0.312 108.490 108.800 0.003 0.000 2.677 690 G HA2 0.406 4.363 3.960 -0.006 0.000 0.291 690 G HA3 0.406 4.363 3.960 -0.006 0.000 0.291 690 G C -0.337 174.576 174.900 0.021 0.000 1.435 690 G CA -0.560 44.562 45.100 0.036 0.000 0.826 690 G HN -0.088 nan 8.290 nan 0.000 0.491 691 R N -0.824 119.694 120.500 0.031 0.000 2.397 691 R HA 0.285 4.622 4.340 -0.006 0.000 0.241 691 R C 0.716 177.040 176.300 0.041 0.000 0.914 691 R CA 0.772 56.893 56.100 0.035 0.000 1.071 691 R CB 0.341 30.663 30.300 0.037 0.000 1.116 691 R HN 0.684 nan 8.270 nan 0.000 0.524 692 T N -3.458 111.112 114.554 0.027 0.000 2.916 692 T HA 0.400 4.747 4.350 -0.006 0.000 0.292 692 T C -2.235 172.459 174.700 -0.010 0.000 1.064 692 T CA -1.946 60.164 62.100 0.018 0.000 1.011 692 T CB 2.044 70.914 68.868 0.003 0.000 1.152 692 T HN -0.221 nan 8.240 nan 0.000 0.510 693 P HA 0.035 nan 4.420 nan 0.000 0.237 693 P C 1.098 178.452 177.300 0.091 0.000 1.178 693 P CA 0.240 63.312 63.100 -0.048 0.000 0.766 693 P CB 0.124 31.760 31.700 -0.108 0.000 0.876 694 R N -0.057 120.470 120.500 0.045 0.000 2.189 694 R HA 0.092 4.429 4.340 -0.006 0.000 0.223 694 R C 0.889 177.319 176.300 0.216 0.000 1.092 694 R CA 0.600 56.758 56.100 0.096 0.000 0.989 694 R CB -0.920 29.332 30.300 -0.080 0.000 0.876 694 R HN 0.226 nan 8.270 nan 0.000 0.457 695 S N 1.719 117.481 115.700 0.104 0.000 2.565 695 S HA 0.460 4.926 4.470 -0.006 0.000 0.290 695 S C -0.183 174.424 174.600 0.011 0.000 1.150 695 S CA -0.856 57.386 58.200 0.070 0.000 1.058 695 S CB 1.598 64.842 63.200 0.073 0.000 1.032 695 S HN 0.413 nan 8.310 nan 0.000 0.510 696 N N 0.120 118.808 118.700 -0.020 0.000 3.043 696 N HA 0.358 5.095 4.740 -0.006 0.000 0.243 696 N C -3.101 172.381 175.510 -0.047 0.000 1.347 696 N CA -1.400 51.605 53.050 -0.076 0.000 0.896 696 N CB 0.286 38.678 38.487 -0.159 0.000 1.501 696 N HN 0.069 nan 8.380 nan 0.000 0.504 697 P HA -0.326 nan 4.420 nan 0.000 0.222 697 P C 1.228 178.541 177.300 0.021 0.000 1.159 697 P CA 3.338 66.422 63.100 -0.026 0.000 0.920 697 P CB -0.246 31.416 31.700 -0.063 0.000 0.793 698 A N -1.400 121.407 122.820 -0.022 0.000 1.892 698 A HA -0.264 4.053 4.320 -0.006 0.000 0.218 698 A C 2.342 179.977 177.584 0.084 0.000 1.188 698 A CA 2.923 54.975 52.037 0.024 0.000 0.631 698 A CB -1.881 17.107 19.000 -0.020 0.000 0.822 698 A HN 0.219 nan 8.150 nan 0.000 0.447 699 T N -1.925 112.647 114.554 0.030 0.000 2.614 699 T HA -0.165 4.182 4.350 -0.006 0.000 0.263 699 T C 1.782 176.554 174.700 0.119 0.000 1.055 699 T CA 1.659 63.814 62.100 0.092 0.000 1.162 699 T CB -0.546 68.356 68.868 0.056 0.000 0.863 699 T HN 0.506 nan 8.240 nan 0.000 0.414 700 Y N 2.104 122.407 120.300 0.006 0.000 2.102 700 Y HA -0.286 4.261 4.550 -0.006 0.000 0.280 700 Y C 2.845 178.753 175.900 0.013 0.000 1.178 700 Y CA 2.297 60.401 58.100 0.008 0.000 1.146 700 Y CB -0.729 37.727 38.460 -0.007 0.000 0.968 700 Y HN 0.397 nan 8.280 nan 0.000 0.504 701 T N -3.562 111.104 114.554 0.186 0.000 2.915 701 T HA 0.078 4.425 4.350 -0.006 0.000 0.269 701 T C 1.808 176.522 174.700 0.023 0.000 1.071 701 T CA 1.244 63.403 62.100 0.098 0.000 1.132 701 T CB -0.710 68.216 68.868 0.096 0.000 0.878 701 T HN 0.793 nan 8.240 nan 0.000 0.479 702 G N -0.088 108.733 108.800 0.035 0.000 2.176 702 G HA2 -0.286 3.671 3.960 -0.006 0.000 0.232 702 G HA3 -0.286 3.671 3.960 -0.006 0.000 0.232 702 G C 0.919 175.835 174.900 0.026 0.000 0.986 702 G CA 0.175 45.290 45.100 0.025 0.000 0.643 702 G HN 0.555 nan 8.290 nan 0.000 0.522 703 V N 0.187 120.118 119.914 0.029 0.000 2.490 703 V HA -0.074 4.043 4.120 -0.006 0.000 0.250 703 V C 2.151 178.237 176.094 -0.014 0.000 1.061 703 V CA 2.323 64.611 62.300 -0.021 0.000 1.064 703 V CB -0.635 31.170 31.823 -0.029 0.000 0.670 703 V HN 0.487 nan 8.190 nan 0.000 0.461 704 F N 0.846 120.747 119.950 -0.083 0.000 2.451 704 F HA -0.142 4.382 4.527 -0.005 0.000 0.299 704 F C 2.150 177.917 175.800 -0.055 0.000 1.101 704 F CA 1.457 59.409 58.000 -0.080 0.000 1.436 704 F CB 0.017 38.983 39.000 -0.058 0.000 1.074 704 F HN 0.188 nan 8.300 nan 0.000 0.553 705 D N 0.619 120.993 120.400 -0.044 0.000 2.103 705 D HA -0.164 4.473 4.640 -0.006 0.000 0.199 705 D C 1.509 177.714 176.300 -0.159 0.000 0.978 705 D CA 1.637 55.584 54.000 -0.089 0.000 0.829 705 D CB -0.165 40.627 40.800 -0.013 0.000 0.981 705 D HN 0.298 nan 8.370 nan 0.000 0.464 706 D N 0.138 120.450 120.400 -0.147 0.000 2.178 706 D HA -0.059 4.577 4.640 -0.006 0.000 0.202 706 D C 1.996 178.157 176.300 -0.231 0.000 0.974 706 D CA 0.242 54.145 54.000 -0.162 0.000 0.841 706 D CB -0.101 40.606 40.800 -0.155 0.000 0.953 706 D HN 0.263 nan 8.370 nan 0.000 0.478 707 I N 0.434 120.818 120.570 -0.310 0.000 2.756 707 I HA -0.144 4.022 4.170 -0.006 0.000 0.262 707 I C 1.567 177.502 176.117 -0.304 0.000 1.225 707 I CA 0.807 61.904 61.300 -0.338 0.000 1.472 707 I CB 0.135 37.937 38.000 -0.331 0.000 1.094 707 I HN -0.050 nan 8.210 nan 0.000 0.454 708 R N -0.153 120.111 120.500 -0.394 0.000 2.223 708 R HA -0.019 4.318 4.340 -0.006 0.000 0.198 708 R C 1.330 177.551 176.300 -0.132 0.000 0.984 708 R CA 0.609 56.516 56.100 -0.322 0.000 1.018 708 R CB -0.078 30.039 30.300 -0.305 0.000 0.945 708 R HN 0.301 nan 8.270 nan 0.000 0.479 709 D N 0.649 120.978 120.400 -0.118 0.000 2.178 709 D HA -0.123 4.513 4.640 -0.006 0.000 0.202 709 D C 2.022 178.279 176.300 -0.072 0.000 0.974 709 D CA 1.103 55.067 54.000 -0.060 0.000 0.841 709 D CB -0.020 40.743 40.800 -0.062 0.000 0.953 709 D HN 0.153 nan 8.370 nan 0.000 0.478 710 V N -1.573 118.259 119.914 -0.136 0.000 2.379 710 V HA -0.144 3.972 4.120 -0.006 0.000 0.245 710 V C 2.084 178.014 176.094 -0.274 0.000 1.044 710 V CA 1.118 63.280 62.300 -0.229 0.000 1.036 710 V CB -1.070 30.473 31.823 -0.467 0.000 0.664 710 V HN -0.068 nan 8.190 nan 0.000 0.453 711 F N 1.809 121.486 119.950 -0.454 0.000 2.186 711 F HA 0.194 4.718 4.527 -0.006 0.000 0.299 711 F C 2.724 178.288 175.800 -0.393 0.000 1.090 711 F CA 1.648 59.256 58.000 -0.654 0.000 1.307 711 F CB -0.832 37.294 39.000 -1.458 0.000 1.019 711 F HN 0.237 nan 8.300 nan 0.000 0.489 712 A N -1.277 121.555 122.820 0.019 0.000 2.067 712 A HA -0.077 4.239 4.320 -0.006 0.000 0.219 712 A C 2.035 179.724 177.584 0.175 0.000 1.158 712 A CA 1.662 53.873 52.037 0.289 0.000 0.661 712 A CB -0.667 18.483 19.000 0.249 0.000 0.801 712 A HN 0.255 nan 8.150 nan 0.000 0.452 713 S N -0.855 114.889 115.700 0.072 0.000 2.557 713 S HA 0.118 4.584 4.470 -0.006 0.000 0.223 713 S C 0.718 175.346 174.600 0.047 0.000 0.969 713 S CA 0.115 58.347 58.200 0.053 0.000 0.927 713 S CB -0.089 63.125 63.200 0.023 0.000 0.806 713 S HN 0.553 nan 8.310 nan 0.000 0.489 714 T N 1.922 116.507 114.554 0.053 0.000 2.868 714 T HA 0.176 4.522 4.350 -0.006 0.000 0.292 714 T C 1.269 176.007 174.700 0.063 0.000 1.028 714 T CA -0.358 61.771 62.100 0.048 0.000 1.059 714 T CB 0.446 69.325 68.868 0.018 0.000 0.991 714 T HN 0.065 nan 8.240 nan 0.000 0.531 715 N N 1.923 120.645 118.700 0.038 0.000 2.094 715 N HA -0.096 4.641 4.740 -0.006 0.000 0.191 715 N C 1.789 177.323 175.510 0.039 0.000 1.023 715 N CA 1.251 54.318 53.050 0.029 0.000 0.857 715 N CB -0.089 38.403 38.487 0.009 0.000 1.013 715 N HN 0.580 nan 8.380 nan 0.000 0.426 716 E N 0.327 120.565 120.200 0.064 0.000 2.106 716 E HA -0.026 4.321 4.350 -0.006 0.000 0.192 716 E C 1.875 178.514 176.600 0.065 0.000 0.984 716 E CA 0.810 57.252 56.400 0.071 0.000 0.806 716 E CB -0.296 29.476 29.700 0.120 0.000 0.750 716 E HN 0.382 nan 8.360 nan 0.000 0.458 717 A N 1.837 124.762 122.820 0.174 0.000 1.930 717 A HA -0.167 4.149 4.320 -0.006 0.000 0.217 717 A C 2.050 179.667 177.584 0.055 0.000 1.175 717 A CA 1.130 53.306 52.037 0.233 0.000 0.627 717 A CB -0.173 19.115 19.000 0.480 0.000 0.815 717 A HN 0.007 nan 8.150 nan 0.000 0.443 718 K N 0.012 120.445 120.400 0.054 0.000 1.991 718 K HA -0.157 4.159 4.320 -0.006 0.000 0.212 718 K C 2.122 178.703 176.600 -0.032 0.000 1.049 718 K CA 1.875 58.174 56.287 0.021 0.000 0.932 718 K CB -1.306 31.208 32.500 0.022 0.000 0.717 718 K HN 0.600 nan 8.250 nan 0.000 0.441 719 V N -0.630 119.255 119.914 -0.048 0.000 2.626 719 V HA -0.112 4.005 4.120 -0.006 0.000 0.252 719 V C 1.869 177.881 176.094 -0.137 0.000 1.067 719 V CA 1.343 63.601 62.300 -0.069 0.000 1.081 719 V CB -0.594 31.200 31.823 -0.049 0.000 0.686 719 V HN 0.178 nan 8.190 nan 0.000 0.468 720 R N 0.808 121.153 120.500 -0.258 0.000 2.317 720 R HA 0.315 4.652 4.340 -0.006 0.000 0.208 720 R C 1.766 177.773 176.300 -0.488 0.000 0.914 720 R CA 0.567 56.368 56.100 -0.499 0.000 1.060 720 R CB 0.047 29.741 30.300 -1.011 0.000 1.015 720 R HN 0.729 nan 8.270 nan 0.000 0.498 721 G N 0.969 109.630 108.800 -0.231 0.000 2.166 721 G HA2 -0.332 3.625 3.960 -0.006 0.000 0.260 721 G HA3 -0.332 3.625 3.960 -0.006 0.000 0.260 721 G C 0.033 174.958 174.900 0.042 0.000 0.986 721 G CA 0.193 45.248 45.100 -0.074 0.000 0.683 721 G HN 0.434 nan 8.290 nan 0.000 0.527 722 Y N 0.356 120.681 120.300 0.042 0.000 2.397 722 Y HA 0.467 5.014 4.550 -0.006 0.000 0.335 722 Y C 1.237 177.201 175.900 0.107 0.000 1.213 722 Y CA -0.220 57.889 58.100 0.014 0.000 1.391 722 Y CB 0.686 39.118 38.460 -0.046 0.000 1.293 722 Y HN 0.097 nan 8.280 nan 0.000 0.557 723 K N 0.554 121.110 120.400 0.260 0.000 2.213 723 K HA 0.227 4.543 4.320 -0.006 0.000 0.254 723 K C -0.406 176.346 176.600 0.254 0.000 1.062 723 K CA -1.257 55.165 56.287 0.226 0.000 0.884 723 K CB 1.210 33.791 32.500 0.134 0.000 1.437 723 K HN 0.500 nan 8.250 nan 0.000 0.464 724 K N 0.347 120.859 120.400 0.186 0.000 3.319 724 K HA 0.073 4.389 4.320 -0.006 0.000 0.296 724 K C 0.431 177.103 176.600 0.120 0.000 0.916 724 K CA 0.439 56.822 56.287 0.160 0.000 1.103 724 K CB -0.301 32.244 32.500 0.074 0.000 1.142 724 K HN 0.713 nan 8.250 nan 0.000 0.416 725 G N 0.731 109.597 108.800 0.110 0.000 2.414 725 G HA2 -0.094 3.862 3.960 -0.006 0.000 0.198 725 G HA3 -0.094 3.862 3.960 -0.006 0.000 0.198 725 G C 1.354 176.255 174.900 0.002 0.000 1.399 725 G CA -0.409 44.729 45.100 0.062 0.000 0.618 725 G HN 0.240 nan 8.290 nan 0.000 1.054 726 R N 0.573 120.989 120.500 -0.140 0.000 2.120 726 R HA 0.126 4.463 4.340 -0.006 0.000 0.234 726 R C 1.475 177.529 176.300 -0.410 0.000 1.123 726 R CA 1.213 57.071 56.100 -0.402 0.000 0.975 726 R CB -0.689 29.114 30.300 -0.828 0.000 0.866 726 R HN 0.383 nan 8.270 nan 0.000 0.446 727 F N -0.367 119.563 119.950 -0.033 0.000 2.797 727 F HA 0.269 4.793 4.527 -0.006 0.000 0.302 727 F C 0.855 176.772 175.800 0.195 0.000 1.130 727 F CA -0.136 57.821 58.000 -0.071 0.000 1.387 727 F CB 0.046 38.884 39.000 -0.271 0.000 1.107 727 F HN -0.128 nan 8.300 nan 0.000 0.577 728 S N 0.533 116.432 115.700 0.332 0.000 2.510 728 S HA -0.006 4.461 4.470 -0.006 0.000 0.279 728 S C 1.145 176.029 174.600 0.473 0.000 1.284 728 S CA -0.537 57.888 58.200 0.375 0.000 1.059 728 S CB 0.103 63.429 63.200 0.210 0.000 0.901 728 S HN 0.307 nan 8.310 nan 0.000 0.491 729 F N 5.320 125.505 119.950 0.391 0.000 2.161 729 F HA -0.068 4.456 4.527 -0.006 0.000 0.300 729 F C 1.378 177.153 175.800 -0.042 0.000 1.089 729 F CA 1.755 59.812 58.000 0.095 0.000 1.282 729 F CB -0.279 38.767 39.000 0.077 0.000 1.010 729 F HN 0.621 nan 8.300 nan 0.000 0.485 730 N N -0.789 117.926 118.700 0.024 0.000 2.236 730 N HA 0.111 4.848 4.740 -0.006 0.000 0.196 730 N C -0.502 174.975 175.510 -0.054 0.000 1.114 730 N CA 0.236 53.220 53.050 -0.111 0.000 0.859 730 N CB 0.486 38.938 38.487 -0.057 0.000 0.982 730 N HN -0.025 nan 8.380 nan 0.000 0.493 731 V N 1.400 121.316 119.914 0.002 0.000 2.427 731 V HA 0.149 4.265 4.120 -0.006 0.000 0.286 731 V C 1.572 177.659 176.094 -0.012 0.000 1.034 731 V CA -0.773 61.528 62.300 0.002 0.000 0.893 731 V CB 1.982 33.822 31.823 0.029 0.000 0.982 731 V HN 0.079 nan 8.190 nan 0.000 0.452 732 K N 3.930 124.321 120.400 -0.015 0.000 2.127 732 K HA -0.224 4.093 4.320 -0.006 0.000 0.208 732 K C 1.962 178.555 176.600 -0.011 0.000 1.047 732 K CA 2.131 58.413 56.287 -0.009 0.000 0.927 732 K CB -0.643 31.857 32.500 0.000 0.000 0.716 732 K HN 0.938 nan 8.250 nan 0.000 0.450 733 G N -0.234 108.559 108.800 -0.013 0.000 2.843 733 G HA2 -0.338 3.619 3.960 -0.006 0.000 0.232 733 G HA3 -0.338 3.619 3.960 -0.006 0.000 0.232 733 G C 1.197 176.064 174.900 -0.055 0.000 1.186 733 G CA 1.534 46.616 45.100 -0.030 0.000 0.766 733 G HN 0.552 nan 8.290 nan 0.000 0.647 734 G N -0.561 108.207 108.800 -0.054 0.000 3.528 734 G HA2 0.415 4.372 3.960 -0.006 0.000 0.266 734 G HA3 0.415 4.372 3.960 -0.006 0.000 0.266 734 G C 0.604 175.550 174.900 0.077 0.000 1.004 734 G CA 0.287 45.363 45.100 -0.040 0.000 0.853 734 G HN 0.812 nan 8.290 nan 0.000 0.501 735 R N -1.172 119.318 120.500 -0.017 0.000 2.577 735 R HA 0.514 4.851 4.340 -0.006 0.000 0.269 735 R C -0.086 176.158 176.300 -0.095 0.000 1.084 735 R CA -0.596 55.406 56.100 -0.163 0.000 1.163 735 R CB 0.395 30.553 30.300 -0.236 0.000 1.100 735 R HN -0.017 nan 8.270 nan 0.000 0.547 736 C N 2.796 122.023 119.300 -0.121 0.000 2.663 736 C HA 0.059 4.516 4.460 -0.006 0.000 0.398 736 C C 1.461 176.384 174.990 -0.112 0.000 1.356 736 C CA -0.310 58.663 59.018 -0.077 0.000 1.629 736 C CB -0.786 26.917 27.740 -0.062 0.000 2.402 736 C HN 0.895 nan 8.230 nan 0.000 0.598 737 E N 3.274 123.417 120.200 -0.095 0.000 2.338 737 E HA -0.108 4.238 4.350 -0.006 0.000 0.197 737 E C 2.123 178.529 176.600 -0.324 0.000 1.007 737 E CA 1.270 57.587 56.400 -0.138 0.000 0.849 737 E CB -0.072 29.594 29.700 -0.056 0.000 0.774 737 E HN 0.924 nan 8.360 nan 0.000 0.506 738 A N 0.847 123.526 122.820 -0.235 0.000 1.873 738 A HA -0.168 4.149 4.320 -0.006 0.000 0.215 738 A C 2.401 179.787 177.584 -0.331 0.000 1.186 738 A CA 1.544 53.435 52.037 -0.244 0.000 0.616 738 A CB -0.547 18.373 19.000 -0.133 0.000 0.823 738 A HN 0.480 nan 8.150 nan 0.000 0.442 739 C N -4.295 114.848 119.300 -0.261 0.000 2.906 739 C HA 0.437 4.893 4.460 -0.006 0.000 0.274 739 C C 0.691 175.589 174.990 -0.153 0.000 1.257 739 C CA -0.080 58.826 59.018 -0.187 0.000 1.695 739 C CB -1.502 26.181 27.740 -0.095 0.000 1.958 739 C HN 0.662 nan 8.230 nan 0.000 0.619 740 H N 0.900 119.911 119.070 -0.098 0.000 2.741 740 H HA -0.161 4.391 4.556 -0.006 0.000 0.305 740 H C 1.600 176.801 175.328 -0.212 0.000 1.169 740 H CA 1.585 57.556 56.048 -0.128 0.000 1.144 740 H CB -1.679 28.020 29.762 -0.105 0.000 1.397 740 H HN 1.188 nan 8.280 nan 0.000 0.409 741 G N -0.570 108.123 108.800 -0.179 0.000 2.176 741 G HA2 -0.330 3.627 3.960 -0.006 0.000 0.253 741 G HA3 -0.330 3.627 3.960 -0.006 0.000 0.253 741 G C 0.981 175.586 174.900 -0.491 0.000 0.979 741 G CA 0.583 45.459 45.100 -0.372 0.000 0.641 741 G HN 0.505 nan 8.290 nan 0.000 0.530 742 D N 0.280 120.525 120.400 -0.259 0.000 2.123 742 D HA 0.168 4.805 4.640 -0.006 0.000 0.200 742 D C 2.351 178.643 176.300 -0.013 0.000 0.976 742 D CA 2.335 56.234 54.000 -0.169 0.000 0.831 742 D CB -0.413 40.348 40.800 -0.065 0.000 0.974 742 D HN 1.402 nan 8.370 nan 0.000 0.469 743 G N 0.560 109.356 108.800 -0.006 0.000 2.383 743 G HA2 -0.273 3.683 3.960 -0.006 0.000 0.229 743 G HA3 -0.273 3.683 3.960 -0.006 0.000 0.229 743 G C 0.405 175.322 174.900 0.029 0.000 1.089 743 G CA 0.354 45.479 45.100 0.041 0.000 0.640 743 G HN 0.366 nan 8.290 nan 0.000 0.510 744 I N 1.682 122.271 120.570 0.032 0.000 2.465 744 I HA 0.563 4.729 4.170 -0.006 0.000 0.291 744 I C 0.318 176.501 176.117 0.109 0.000 1.014 744 I CA -1.183 60.156 61.300 0.065 0.000 1.093 744 I CB 1.856 39.891 38.000 0.058 0.000 1.267 744 I HN 0.006 nan 8.210 nan 0.000 0.431 745 I N 4.486 125.112 120.570 0.095 0.000 2.532 745 I HA 0.230 4.397 4.170 -0.006 0.000 0.292 745 I C 0.289 176.482 176.117 0.126 0.000 1.014 745 I CA -0.469 60.879 61.300 0.081 0.000 1.340 745 I CB 1.145 39.153 38.000 0.014 0.000 1.422 745 I HN 0.570 nan 8.210 nan 0.000 0.528 746 K N 5.565 126.006 120.400 0.069 0.000 2.263 746 K HA 0.424 4.741 4.320 -0.006 0.000 0.272 746 K C -0.934 175.604 176.600 -0.102 0.000 1.033 746 K CA -0.620 55.606 56.287 -0.103 0.000 0.884 746 K CB 0.955 33.359 32.500 -0.160 0.000 1.107 746 K HN 0.386 nan 8.250 nan 0.000 0.460 747 I N 3.216 123.713 120.570 -0.122 0.000 2.499 747 I HA 0.177 4.343 4.170 -0.006 0.000 0.296 747 I C 0.173 176.250 176.117 -0.065 0.000 0.992 747 I CA -0.136 61.127 61.300 -0.061 0.000 1.297 747 I CB 1.444 39.411 38.000 -0.054 0.000 1.410 747 I HN 0.716 nan 8.210 nan 0.000 0.507 751 F N 1.472 121.512 119.950 0.148 0.000 2.473 751 F HA 0.263 4.787 4.527 -0.005 0.000 0.294 751 F C 0.576 176.424 175.800 0.079 0.000 1.103 751 F CA 0.193 58.249 58.000 0.093 0.000 1.442 751 F CB 0.558 39.605 39.000 0.079 0.000 1.097 751 F HN -0.121 nan 8.300 nan 0.000 0.547 752 L N 1.595 122.952 121.223 0.223 0.000 2.439 752 L HA 0.277 4.614 4.340 -0.006 0.000 0.261 752 L C -1.882 175.047 176.870 0.099 0.000 1.153 752 L CA -2.200 52.737 54.840 0.162 0.000 0.808 752 L CB -0.080 42.066 42.059 0.144 0.000 1.126 752 L HN -0.211 nan 8.230 nan 0.000 0.460 753 P HA 0.087 nan 4.420 nan 0.000 0.272 753 P C -1.187 176.119 177.300 0.011 0.000 1.223 753 P CA -0.467 62.666 63.100 0.053 0.000 0.784 753 P CB 0.492 32.238 31.700 0.076 0.000 0.923 754 D N 0.267 120.639 120.400 -0.047 0.000 2.423 754 D HA 0.170 4.806 4.640 -0.006 0.000 0.238 754 D C 0.092 176.300 176.300 -0.153 0.000 1.142 754 D CA 0.244 54.171 54.000 -0.121 0.000 0.884 754 D CB 0.388 41.070 40.800 -0.196 0.000 1.199 754 D HN -0.022 nan 8.370 nan 0.000 0.438 755 V N 1.900 121.716 119.914 -0.163 0.000 2.769 755 V HA 0.269 4.386 4.120 -0.006 0.000 0.312 755 V C -0.772 175.188 176.094 -0.224 0.000 1.058 755 V CA -0.761 61.468 62.300 -0.118 0.000 0.952 755 V CB 1.360 33.172 31.823 -0.018 0.000 1.019 755 V HN 0.370 nan 8.190 nan 0.000 0.445 756 Y N 1.970 122.283 120.300 0.021 0.000 2.369 756 Y HA 0.521 5.068 4.550 -0.006 0.000 0.337 756 Y C 0.083 175.984 175.900 0.002 0.000 0.961 756 Y CA -0.526 57.582 58.100 0.013 0.000 1.186 756 Y CB 1.652 40.126 38.460 0.023 0.000 1.139 756 Y HN 0.303 nan 8.280 nan 0.000 0.494 757 V N 6.932 126.920 119.914 0.124 0.000 2.394 757 V HA 0.339 4.456 4.120 -0.006 0.000 0.282 757 V C -2.188 173.936 176.094 0.050 0.000 1.031 757 V CA -2.558 59.772 62.300 0.050 0.000 0.881 757 V CB 1.355 33.168 31.823 -0.017 0.000 0.982 757 V HN 0.566 nan 8.190 nan 0.000 0.451 758 P HA -0.025 nan 4.420 nan 0.000 0.264 758 P C 0.064 177.353 177.300 -0.018 0.000 1.183 758 P CA -0.149 62.963 63.100 0.019 0.000 0.763 758 P CB 0.159 31.869 31.700 0.017 0.000 0.807 759 C N 4.749 124.039 119.300 -0.017 0.000 2.517 759 C HA -0.002 4.454 4.460 -0.006 0.000 0.403 759 C C 1.764 176.688 174.990 -0.110 0.000 1.467 759 C CA -0.090 58.897 59.018 -0.051 0.000 1.542 759 C CB -1.327 26.389 27.740 -0.040 0.000 2.482 759 C HN 0.607 nan 8.230 nan 0.000 0.610 760 E N 3.792 123.907 120.200 -0.142 0.000 2.418 760 E HA -0.067 4.280 4.350 -0.006 0.000 0.197 760 E C 1.294 177.715 176.600 -0.298 0.000 1.026 760 E CA 1.045 57.298 56.400 -0.245 0.000 0.862 760 E CB -0.477 29.117 29.700 -0.177 0.000 0.799 760 E HN 0.579 nan 8.360 nan 0.000 0.518 761 V N 0.463 120.283 119.914 -0.156 0.000 2.685 761 V HA -0.104 4.013 4.120 -0.006 0.000 0.244 761 V C 2.090 178.205 176.094 0.036 0.000 1.054 761 V CA 1.242 63.501 62.300 -0.068 0.000 1.076 761 V CB -0.129 31.667 31.823 -0.045 0.000 0.725 761 V HN 0.691 nan 8.190 nan 0.000 0.467 762 C N -1.570 117.753 119.300 0.039 0.000 2.974 762 C HA 0.371 4.828 4.460 -0.006 0.000 0.282 762 C C 1.128 176.256 174.990 0.230 0.000 1.292 762 C CA -0.514 58.588 59.018 0.140 0.000 1.710 762 C CB -1.596 26.195 27.740 0.084 0.000 2.036 762 C HN 0.719 nan 8.230 nan 0.000 0.629 763 H N 0.855 119.936 119.070 0.019 0.000 2.776 763 H HA -0.196 4.356 4.556 -0.006 0.000 0.300 763 H C 1.677 177.022 175.328 0.028 0.000 1.161 763 H CA 1.270 57.331 56.048 0.020 0.000 1.147 763 H CB -1.591 28.185 29.762 0.022 0.000 1.366 763 H HN 1.130 nan 8.280 nan 0.000 0.397 764 G N -0.308 108.552 108.800 0.100 0.000 2.179 764 G HA2 -0.387 3.569 3.960 -0.006 0.000 0.260 764 G HA3 -0.387 3.569 3.960 -0.006 0.000 0.260 764 G C 1.348 176.307 174.900 0.098 0.000 0.977 764 G CA 0.650 45.799 45.100 0.081 0.000 0.641 764 G HN 0.384 nan 8.290 nan 0.000 0.533 765 K N 0.054 120.529 120.400 0.126 0.000 2.147 765 K HA 0.017 4.334 4.320 -0.006 0.000 0.205 765 K C 1.958 178.671 176.600 0.189 0.000 1.049 765 K CA 1.477 57.851 56.287 0.144 0.000 0.936 765 K CB -0.202 32.390 32.500 0.153 0.000 0.722 765 K HN 0.724 nan 8.250 nan 0.000 0.446 766 R N -3.153 117.430 120.500 0.140 0.000 3.218 766 R HA -0.181 4.155 4.340 -0.006 0.000 0.397 766 R C -0.233 175.991 176.300 -0.127 0.000 0.440 766 R CA 1.254 57.397 56.100 0.072 0.000 1.454 766 R CB -1.392 29.020 30.300 0.186 0.000 1.907 766 R HN 0.127 nan 8.270 nan 0.000 0.306 767 Y N 1.587 121.949 120.300 0.103 0.000 2.587 767 Y HA 0.364 4.911 4.550 -0.006 0.000 0.337 767 Y C 0.852 176.780 175.900 0.047 0.000 1.065 767 Y CA -0.905 57.238 58.100 0.072 0.000 1.126 767 Y CB 0.805 39.307 38.460 0.069 0.000 1.279 767 Y HN 0.117 nan 8.280 nan 0.000 0.489 768 N N -0.026 118.780 118.700 0.176 0.000 2.327 768 N HA 0.170 4.907 4.740 -0.006 0.000 0.257 768 N C 0.521 176.099 175.510 0.113 0.000 1.281 768 N CA -0.363 52.750 53.050 0.105 0.000 0.942 768 N CB 0.582 39.104 38.487 0.059 0.000 1.199 768 N HN 0.592 nan 8.380 nan 0.000 0.532 769 R N -0.259 120.293 120.500 0.087 0.000 2.083 769 R HA -0.116 4.221 4.340 -0.006 0.000 0.237 769 R C 1.595 177.948 176.300 0.088 0.000 1.137 769 R CA 1.800 57.950 56.100 0.083 0.000 0.951 769 R CB -0.388 29.953 30.300 0.067 0.000 0.851 769 R HN 0.714 nan 8.270 nan 0.000 0.434 770 E N -0.140 120.110 120.200 0.084 0.000 2.106 770 E HA -0.109 4.238 4.350 -0.006 0.000 0.192 770 E C 1.883 178.543 176.600 0.099 0.000 0.984 770 E CA 1.513 57.976 56.400 0.105 0.000 0.806 770 E CB -0.023 29.743 29.700 0.111 0.000 0.750 770 E HN 0.356 nan 8.360 nan 0.000 0.458 771 T N 2.112 116.679 114.554 0.022 0.000 2.777 771 T HA -0.119 4.228 4.350 -0.006 0.000 0.266 771 T C 1.773 176.512 174.700 0.064 0.000 1.040 771 T CA 1.081 63.126 62.100 -0.092 0.000 1.141 771 T CB -0.174 68.645 68.868 -0.080 0.000 0.868 771 T HN 0.132 nan 8.240 nan 0.000 0.444 772 L N 0.538 121.821 121.223 0.100 0.000 2.599 772 L HA 0.369 4.705 4.340 -0.006 0.000 0.230 772 L C 1.575 178.541 176.870 0.159 0.000 1.141 772 L CA 0.728 55.640 54.840 0.120 0.000 0.877 772 L CB -0.939 41.181 42.059 0.103 0.000 1.009 772 L HN 0.104 nan 8.230 nan 0.000 0.447 773 E N 0.322 120.624 120.200 0.171 0.000 2.274 773 E HA 0.028 4.374 4.350 -0.006 0.000 0.194 773 E C 0.315 177.041 176.600 0.211 0.000 0.996 773 E CA 0.264 56.764 56.400 0.167 0.000 0.840 773 E CB 0.120 29.913 29.700 0.156 0.000 0.772 773 E HN 0.397 nan 8.360 nan 0.000 0.491 774 V N 1.737 121.836 119.914 0.308 0.000 2.572 774 V HA 0.038 4.155 4.120 -0.006 0.000 0.291 774 V C 0.390 176.674 176.094 0.316 0.000 1.039 774 V CA 0.393 62.910 62.300 0.363 0.000 1.055 774 V CB 1.237 33.427 31.823 0.612 0.000 0.969 774 V HN 0.056 nan 8.190 nan 0.000 0.482 775 T N 4.328 118.998 114.554 0.194 0.000 2.924 775 T HA 0.616 4.963 4.350 -0.006 0.000 0.291 775 T C -1.544 173.160 174.700 0.007 0.000 1.045 775 T CA -0.477 61.704 62.100 0.135 0.000 1.015 775 T CB 1.233 70.155 68.868 0.090 0.000 1.103 775 T HN 0.585 nan 8.240 nan 0.000 0.496 776 Y N 3.001 123.185 120.300 -0.194 0.000 2.322 776 Y HA 0.415 4.961 4.550 -0.006 0.000 0.324 776 Y C 0.106 175.966 175.900 -0.067 0.000 1.027 776 Y CA -0.724 57.198 58.100 -0.295 0.000 1.179 776 Y CB 0.719 38.755 38.460 -0.707 0.000 1.136 776 Y HN 0.907 nan 8.280 nan 0.000 0.449 777 K N 4.701 124.829 120.400 -0.454 0.000 3.257 777 K HA -0.217 4.100 4.320 -0.006 0.000 0.270 777 K C 0.865 177.448 176.600 -0.028 0.000 0.984 777 K CA 0.982 57.074 56.287 -0.324 0.000 0.739 777 K CB -1.594 30.567 32.500 -0.566 0.000 1.351 777 K HN 1.370 nan 8.250 nan 0.000 0.463 778 G N -0.135 108.652 108.800 -0.020 0.000 2.168 778 G HA2 -0.333 3.623 3.960 -0.006 0.000 0.257 778 G HA3 -0.333 3.623 3.960 -0.006 0.000 0.257 778 G C -0.282 174.663 174.900 0.076 0.000 0.997 778 G CA 0.864 45.982 45.100 0.030 0.000 0.708 778 G HN 0.235 nan 8.290 nan 0.000 0.520 779 K N 0.188 120.663 120.400 0.126 0.000 2.513 779 K HA 0.328 4.645 4.320 -0.006 0.000 0.251 779 K C 0.128 176.867 176.600 0.232 0.000 0.939 779 K CA -0.630 55.733 56.287 0.127 0.000 0.793 779 K CB 1.703 34.222 32.500 0.031 0.000 1.241 779 K HN 0.381 nan 8.250 nan 0.000 0.431 780 N N 1.190 120.025 118.700 0.225 0.000 2.366 780 N HA 0.190 4.927 4.740 -0.006 0.000 0.277 780 N C 1.070 176.753 175.510 0.290 0.000 1.275 780 N CA -0.537 52.723 53.050 0.351 0.000 0.964 780 N CB 0.535 39.146 38.487 0.207 0.000 1.167 780 N HN 0.609 nan 8.380 nan 0.000 0.568 781 I N -1.215 119.312 120.570 -0.073 0.000 2.286 781 I HA -0.200 3.966 4.170 -0.006 0.000 0.248 781 I C 1.973 177.976 176.117 -0.190 0.000 1.115 781 I CA 1.420 62.383 61.300 -0.562 0.000 1.392 781 I CB -0.421 36.912 38.000 -1.112 0.000 1.065 781 I HN 0.710 nan 8.210 nan 0.000 0.418 782 A N 0.352 123.122 122.820 -0.085 0.000 1.902 782 A HA -0.233 4.083 4.320 -0.006 0.000 0.217 782 A C 2.119 179.716 177.584 0.021 0.000 1.181 782 A CA 1.801 53.860 52.037 0.036 0.000 0.623 782 A CB -0.601 18.460 19.000 0.102 0.000 0.818 782 A HN 0.570 nan 8.150 nan 0.000 0.443 783 E N -0.748 119.464 120.200 0.021 0.000 2.106 783 E HA -0.098 4.249 4.350 -0.006 0.000 0.192 783 E C 1.913 178.488 176.600 -0.041 0.000 0.984 783 E CA 1.057 57.457 56.400 -0.001 0.000 0.806 783 E CB -0.266 29.438 29.700 0.007 0.000 0.750 783 E HN 0.390 nan 8.360 nan 0.000 0.458 784 V N 1.158 121.063 119.914 -0.015 0.000 2.667 784 V HA -0.147 3.970 4.120 -0.006 0.000 0.252 784 V C 1.968 178.081 176.094 0.032 0.000 1.065 784 V CA 1.007 63.297 62.300 -0.016 0.000 1.083 784 V CB -0.012 31.919 31.823 0.181 0.000 0.692 784 V HN 0.178 nan 8.190 nan 0.000 0.468 785 L N 0.253 121.486 121.223 0.017 0.000 2.313 785 L HA 0.177 4.514 4.340 -0.006 0.000 0.214 785 L C 1.092 177.937 176.870 -0.042 0.000 1.119 785 L CA 1.396 56.227 54.840 -0.015 0.000 0.809 785 L CB -0.515 41.510 42.059 -0.057 0.000 0.933 785 L HN 0.503 nan 8.230 nan 0.000 0.449 789 V N 1.205 121.153 119.914 0.057 0.000 2.453 789 V HA -0.194 3.923 4.120 -0.006 0.000 0.252 789 V C 2.458 178.647 176.094 0.159 0.000 1.068 789 V CA 2.586 64.939 62.300 0.089 0.000 1.070 789 V CB -0.461 31.387 31.823 0.041 0.000 0.664 789 V HN 0.965 nan 8.190 nan 0.000 0.461 790 E N 0.055 120.368 120.200 0.187 0.000 2.046 790 E HA -0.233 4.114 4.350 -0.006 0.000 0.190 790 E C 1.782 178.486 176.600 0.173 0.000 0.982 790 E CA 1.478 58.022 56.400 0.240 0.000 0.800 790 E CB -0.070 29.805 29.700 0.291 0.000 0.756 790 E HN 0.603 nan 8.360 nan 0.000 0.449 791 D N 0.133 120.624 120.400 0.150 0.000 2.219 791 D HA -0.069 4.568 4.640 -0.006 0.000 0.205 791 D C 1.594 177.985 176.300 0.152 0.000 0.970 791 D CA 1.072 55.148 54.000 0.126 0.000 0.851 791 D CB -0.081 40.767 40.800 0.081 0.000 0.943 791 D HN 0.298 nan 8.370 nan 0.000 0.488 792 A N 0.607 123.531 122.820 0.173 0.000 1.872 792 A HA -0.073 4.243 4.320 -0.006 0.000 0.214 792 A C 2.031 179.851 177.584 0.394 0.000 1.187 792 A CA 1.193 53.403 52.037 0.289 0.000 0.614 792 A CB -0.641 18.529 19.000 0.284 0.000 0.826 792 A HN 0.297 nan 8.150 nan 0.000 0.442 793 L N -1.102 120.276 121.223 0.259 0.000 2.131 793 L HA -0.044 4.292 4.340 -0.006 0.000 0.210 793 L C 1.629 178.598 176.870 0.164 0.000 1.092 793 L CA 2.466 57.430 54.840 0.207 0.000 0.759 793 L CB -1.268 40.848 42.059 0.096 0.000 0.903 793 L HN 0.239 nan 8.230 nan 0.000 0.435 794 D N -0.485 120.000 120.400 0.141 0.000 2.144 794 D HA -0.228 4.409 4.640 -0.006 0.000 0.200 794 D C 1.952 178.315 176.300 0.104 0.000 0.978 794 D CA 1.109 55.167 54.000 0.096 0.000 0.833 794 D CB -0.179 40.678 40.800 0.094 0.000 0.961 794 D HN 0.412 nan 8.370 nan 0.000 0.470 795 F N -0.619 119.314 119.950 -0.028 0.000 2.293 795 F HA 0.087 4.610 4.527 -0.006 0.000 0.297 795 F C 1.086 176.733 175.800 -0.256 0.000 1.089 795 F CA 0.821 58.720 58.000 -0.169 0.000 1.377 795 F CB -0.024 38.825 39.000 -0.252 0.000 1.051 795 F HN -0.166 nan 8.300 nan 0.000 0.511 796 F N -0.031 120.025 119.950 0.177 0.000 2.819 796 F HA 0.362 4.886 4.527 -0.006 0.000 0.294 796 F C 1.711 177.519 175.800 0.013 0.000 1.166 796 F CA 0.084 58.134 58.000 0.083 0.000 1.374 796 F CB -0.417 38.675 39.000 0.153 0.000 0.956 796 F HN 0.039 nan 8.300 nan 0.000 0.509 797 A N -0.014 122.855 122.820 0.083 0.000 1.972 797 A HA -0.200 4.117 4.320 -0.006 0.000 0.219 797 A C 2.387 179.987 177.584 0.028 0.000 1.169 797 A CA 2.065 54.126 52.037 0.040 0.000 0.635 797 A CB -0.726 18.270 19.000 -0.008 0.000 0.810 797 A HN 0.453 nan 8.150 nan 0.000 0.446 798 S N -0.276 115.434 115.700 0.017 0.000 2.368 798 S HA 0.027 4.494 4.470 -0.006 0.000 0.224 798 S C 0.788 175.415 174.600 0.045 0.000 1.029 798 S CA 0.560 58.768 58.200 0.013 0.000 0.988 798 S CB -0.415 62.778 63.200 -0.011 0.000 0.838 798 S HN 0.284 nan 8.310 nan 0.000 0.462 799 I N 3.919 124.548 120.570 0.097 0.000 2.347 799 I HA 0.276 4.443 4.170 -0.006 0.000 0.294 799 I C -1.988 174.153 176.117 0.041 0.000 1.090 799 I CA -2.433 58.909 61.300 0.071 0.000 1.314 799 I CB 0.285 38.338 38.000 0.087 0.000 1.423 799 I HN 0.117 nan 8.210 nan 0.000 0.503 800 P HA -0.070 nan 4.420 nan 0.000 0.222 800 P C 1.493 178.777 177.300 -0.025 0.000 1.153 800 P CA 0.706 63.803 63.100 -0.005 0.000 0.798 800 P CB 0.431 32.124 31.700 -0.011 0.000 0.796 801 K N 0.181 120.562 120.400 -0.031 0.000 2.103 801 K HA -0.024 4.293 4.320 -0.006 0.000 0.204 801 K C 1.898 178.458 176.600 -0.067 0.000 1.052 801 K CA 1.132 57.391 56.287 -0.047 0.000 0.945 801 K CB -1.059 31.415 32.500 -0.044 0.000 0.722 801 K HN -0.017 nan 8.250 nan 0.000 0.443 802 I N 0.807 121.327 120.570 -0.084 0.000 2.233 802 I HA -0.203 3.964 4.170 -0.006 0.000 0.243 802 I C 2.243 178.317 176.117 -0.073 0.000 1.093 802 I CA 1.128 62.340 61.300 -0.147 0.000 1.380 802 I CB -0.811 37.011 38.000 -0.297 0.000 1.067 802 I HN 0.297 nan 8.210 nan 0.000 0.413 803 K N 1.339 121.732 120.400 -0.012 0.000 2.020 803 K HA -0.196 4.121 4.320 -0.006 0.000 0.212 803 K C 2.272 178.858 176.600 -0.022 0.000 1.050 803 K CA 1.634 57.931 56.287 0.017 0.000 0.929 803 K CB -0.061 32.452 32.500 0.023 0.000 0.714 803 K HN 0.181 nan 8.250 nan 0.000 0.443 804 R N 0.411 120.876 120.500 -0.058 0.000 2.152 804 R HA -0.114 4.223 4.340 -0.006 0.000 0.232 804 R C 2.261 178.508 176.300 -0.089 0.000 1.117 804 R CA 1.477 57.511 56.100 -0.110 0.000 0.981 804 R CB -0.046 30.151 30.300 -0.173 0.000 0.870 804 R HN 0.246 nan 8.270 nan 0.000 0.451 805 K N 0.544 120.913 120.400 -0.052 0.000 2.021 805 K HA -0.025 4.292 4.320 -0.006 0.000 0.205 805 K C 2.097 178.701 176.600 0.007 0.000 1.047 805 K CA 0.927 57.201 56.287 -0.020 0.000 0.943 805 K CB -0.118 32.369 32.500 -0.022 0.000 0.725 805 K HN 0.089 nan 8.250 nan 0.000 0.439 806 L N 1.460 122.690 121.223 0.011 0.000 2.127 806 L HA -0.214 4.122 4.340 -0.006 0.000 0.211 806 L C 2.225 179.137 176.870 0.070 0.000 1.089 806 L CA 1.315 56.184 54.840 0.048 0.000 0.757 806 L CB -0.455 41.649 42.059 0.074 0.000 0.899 806 L HN 0.272 nan 8.230 nan 0.000 0.434 807 E N -0.300 119.923 120.200 0.039 0.000 2.110 807 E HA -0.214 4.133 4.350 -0.006 0.000 0.193 807 E C 2.181 178.840 176.600 0.099 0.000 0.988 807 E CA 1.865 58.295 56.400 0.050 0.000 0.804 807 E CB -0.100 29.594 29.700 -0.009 0.000 0.745 807 E HN 0.649 nan 8.360 nan 0.000 0.458 808 T N 0.173 114.768 114.554 0.068 0.000 2.652 808 T HA -0.179 4.168 4.350 -0.006 0.000 0.267 808 T C 2.046 176.793 174.700 0.079 0.000 1.039 808 T CA 0.952 63.100 62.100 0.081 0.000 1.153 808 T CB -0.620 68.293 68.868 0.075 0.000 0.863 808 T HN 0.070 nan 8.240 nan 0.000 0.428 809 L N -0.601 120.662 121.223 0.066 0.000 2.081 809 L HA -0.070 4.267 4.340 -0.006 0.000 0.212 809 L C 2.658 179.553 176.870 0.040 0.000 1.080 809 L CA 1.850 56.709 54.840 0.032 0.000 0.754 809 L CB -0.677 41.391 42.059 0.016 0.000 0.893 809 L HN 0.283 nan 8.230 nan 0.000 0.433 810 Y N 0.792 121.083 120.300 -0.014 0.000 2.184 810 Y HA -0.234 4.313 4.550 -0.005 0.000 0.290 810 Y C 2.355 178.256 175.900 0.002 0.000 1.129 810 Y CA 1.614 59.710 58.100 -0.006 0.000 1.144 810 Y CB -0.113 38.352 38.460 0.010 0.000 0.995 810 Y HN 0.183 nan 8.280 nan 0.000 0.513 811 D N -0.506 120.045 120.400 0.252 0.000 2.149 811 D HA -0.180 4.457 4.640 -0.006 0.000 0.198 811 D C 2.309 178.633 176.300 0.040 0.000 0.990 811 D CA 1.477 55.572 54.000 0.157 0.000 0.839 811 D CB -0.418 40.463 40.800 0.136 0.000 0.948 811 D HN 0.290 nan 8.370 nan 0.000 0.460 812 V N -0.453 119.471 119.914 0.016 0.000 2.867 812 V HA -0.027 4.090 4.120 -0.006 0.000 0.260 812 V C 1.991 178.055 176.094 -0.050 0.000 1.099 812 V CA 1.705 63.994 62.300 -0.019 0.000 1.122 812 V CB -0.005 31.804 31.823 -0.022 0.000 0.708 812 V HN 0.494 nan 8.190 nan 0.000 0.490 813 G N -1.577 107.166 108.800 -0.095 0.000 2.699 813 G HA2 -0.162 3.795 3.960 -0.006 0.000 0.198 813 G HA3 -0.162 3.795 3.960 -0.006 0.000 0.198 813 G C 0.007 174.836 174.900 -0.119 0.000 1.033 813 G CA -0.056 44.987 45.100 -0.096 0.000 0.728 813 G HN 0.225 nan 8.290 nan 0.000 0.484 814 L N 0.777 121.889 121.223 -0.185 0.000 2.341 814 L HA 0.597 4.934 4.340 -0.006 0.000 0.185 814 L C 2.209 178.881 176.870 -0.330 0.000 1.091 814 L CA 2.447 57.055 54.840 -0.387 0.000 0.899 814 L CB -0.236 41.604 42.059 -0.365 0.000 1.357 814 L HN 1.456 nan 8.230 nan 0.000 0.535 815 G N -2.846 105.764 108.800 -0.316 0.000 2.380 815 G HA2 -0.192 3.764 3.960 -0.006 0.000 0.197 815 G HA3 -0.192 3.764 3.960 -0.006 0.000 0.197 815 G C -0.034 174.855 174.900 -0.018 0.000 1.001 815 G CA 0.047 45.093 45.100 -0.091 0.000 0.668 815 G HN 0.682 nan 8.290 nan 0.000 0.483 819 L N 0.541 121.738 121.223 -0.044 0.000 2.081 819 L HA -0.165 4.172 4.340 -0.006 0.000 0.212 819 L C 1.817 178.614 176.870 -0.122 0.000 1.080 819 L CA 2.209 57.017 54.840 -0.054 0.000 0.754 819 L CB -0.317 41.740 42.059 -0.003 0.000 0.893 819 L HN 0.972 nan 8.230 nan 0.000 0.433 820 G N -1.228 107.485 108.800 -0.145 0.000 3.233 820 G HA2 -0.038 3.919 3.960 -0.006 0.000 0.227 820 G HA3 -0.038 3.919 3.960 -0.006 0.000 0.227 820 G C 0.569 175.365 174.900 -0.173 0.000 1.175 820 G CA -0.377 44.584 45.100 -0.231 0.000 0.781 820 G HN 0.282 nan 8.290 nan 0.000 0.542 821 Q N 1.349 121.075 119.800 -0.123 0.000 2.255 821 Q HA 0.135 4.471 4.340 -0.006 0.000 0.280 821 Q C -2.292 173.644 176.000 -0.107 0.000 1.068 821 Q CA -1.609 54.134 55.803 -0.100 0.000 0.911 821 Q CB 0.724 29.409 28.738 -0.089 0.000 1.157 821 Q HN 0.031 nan 8.270 nan 0.000 0.380 822 P HA -0.084 nan 4.420 nan 0.000 0.261 822 P C -0.410 176.831 177.300 -0.099 0.000 1.183 822 P CA 0.334 63.366 63.100 -0.113 0.000 0.761 822 P CB 0.828 32.417 31.700 -0.185 0.000 0.785 823 A N 3.848 126.622 122.820 -0.076 0.000 1.978 823 A HA -0.202 4.114 4.320 -0.006 0.000 0.220 823 A C 1.960 179.510 177.584 -0.057 0.000 1.170 823 A CA 2.369 54.365 52.037 -0.068 0.000 0.636 823 A CB -1.758 17.213 19.000 -0.048 0.000 0.810 823 A HN 0.592 nan 8.150 nan 0.000 0.448 824 T N -2.566 111.953 114.554 -0.058 0.000 2.977 824 T HA -0.111 4.236 4.350 -0.006 0.000 0.271 824 T C 1.411 176.106 174.700 -0.007 0.000 1.105 824 T CA 1.904 63.992 62.100 -0.020 0.000 1.116 824 T CB -0.887 67.973 68.868 -0.014 0.000 0.878 824 T HN 0.675 nan 8.240 nan 0.000 0.509 825 T N -1.196 113.333 114.554 -0.043 0.000 3.092 825 T HA 0.478 4.824 4.350 -0.006 0.000 0.258 825 T C 0.170 174.851 174.700 -0.032 0.000 1.031 825 T CA -0.704 61.383 62.100 -0.021 0.000 0.925 825 T CB -0.279 68.572 68.868 -0.028 0.000 1.036 825 T HN 0.119 nan 8.240 nan 0.000 0.544 826 L N 2.471 123.666 121.223 -0.046 0.000 2.375 826 L HA 0.526 4.863 4.340 -0.006 0.000 0.271 826 L C 0.813 177.657 176.870 -0.044 0.000 1.107 826 L CA -0.173 54.636 54.840 -0.052 0.000 0.806 826 L CB 1.308 43.320 42.059 -0.078 0.000 1.146 826 L HN 0.251 nan 8.230 nan 0.000 0.447 827 S N 1.198 116.876 115.700 -0.036 0.000 2.584 827 S HA 0.239 4.705 4.470 -0.006 0.000 0.270 827 S C 1.452 176.027 174.600 -0.041 0.000 1.346 827 S CA 0.081 58.260 58.200 -0.035 0.000 1.018 827 S CB 0.906 64.097 63.200 -0.016 0.000 0.899 827 S HN 0.818 nan 8.310 nan 0.000 0.542 828 G N 2.470 111.247 108.800 -0.037 0.000 2.446 828 G HA2 -0.086 3.871 3.960 -0.006 0.000 0.217 828 G HA3 -0.086 3.871 3.960 -0.006 0.000 0.217 828 G C 1.422 176.297 174.900 -0.041 0.000 1.168 828 G CA 0.801 45.878 45.100 -0.038 0.000 0.771 828 G HN 0.958 nan 8.290 nan 0.000 0.551 829 G N 0.464 109.245 108.800 -0.031 0.000 2.418 829 G HA2 -0.125 3.832 3.960 -0.006 0.000 0.217 829 G HA3 -0.125 3.832 3.960 -0.006 0.000 0.217 829 G C 1.617 176.494 174.900 -0.039 0.000 1.158 829 G CA 1.121 46.203 45.100 -0.031 0.000 0.771 829 G HN 0.524 nan 8.290 nan 0.000 0.545 830 E N 0.542 120.722 120.200 -0.034 0.000 2.038 830 E HA -0.096 4.251 4.350 -0.006 0.000 0.195 830 E C 2.977 179.521 176.600 -0.093 0.000 1.000 830 E CA 0.857 57.227 56.400 -0.051 0.000 0.803 830 E CB -0.240 29.438 29.700 -0.037 0.000 0.750 830 E HN 0.390 nan 8.360 nan 0.000 0.448 831 A N 1.333 124.092 122.820 -0.101 0.000 1.917 831 A HA -0.331 3.986 4.320 -0.006 0.000 0.219 831 A C 2.149 179.640 177.584 -0.154 0.000 1.182 831 A CA 1.992 53.940 52.037 -0.149 0.000 0.633 831 A CB -0.707 18.215 19.000 -0.131 0.000 0.819 831 A HN 0.283 nan 8.150 nan 0.000 0.448 832 Q N -0.526 119.212 119.800 -0.103 0.000 2.061 832 Q HA -0.228 4.109 4.340 -0.006 0.000 0.204 832 Q C 2.252 178.203 176.000 -0.081 0.000 0.984 832 Q CA 1.944 57.696 55.803 -0.085 0.000 0.846 832 Q CB -0.118 28.584 28.738 -0.059 0.000 0.902 832 Q HN 0.697 nan 8.270 nan 0.000 0.421 833 R N -0.680 119.773 120.500 -0.077 0.000 2.148 833 R HA -0.044 4.293 4.340 -0.006 0.000 0.223 833 R C 2.234 178.489 176.300 -0.075 0.000 1.088 833 R CA 1.068 57.129 56.100 -0.066 0.000 0.985 833 R CB 0.023 30.287 30.300 -0.061 0.000 0.880 833 R HN 0.165 nan 8.270 nan 0.000 0.451 834 V N 1.408 121.252 119.914 -0.117 0.000 2.548 834 V HA -0.201 3.916 4.120 -0.006 0.000 0.249 834 V C 1.932 177.967 176.094 -0.100 0.000 1.055 834 V CA 1.632 63.856 62.300 -0.127 0.000 1.065 834 V CB -0.307 31.392 31.823 -0.207 0.000 0.681 834 V HN 0.276 nan 8.190 nan 0.000 0.462 835 K N -0.138 120.178 120.400 -0.140 0.000 2.062 835 K HA -0.029 4.288 4.320 -0.006 0.000 0.205 835 K C 2.158 178.804 176.600 0.077 0.000 1.051 835 K CA 0.884 57.172 56.287 0.002 0.000 0.941 835 K CB -0.312 32.164 32.500 -0.039 0.000 0.719 835 K HN 0.239 nan 8.250 nan 0.000 0.440 836 L N 1.519 122.750 121.223 0.013 0.000 2.042 836 L HA -0.140 4.196 4.340 -0.006 0.000 0.210 836 L C 2.185 179.069 176.870 0.023 0.000 1.076 836 L CA 1.997 56.840 54.840 0.005 0.000 0.749 836 L CB -1.113 40.926 42.059 -0.033 0.000 0.893 836 L HN 0.156 nan 8.230 nan 0.000 0.432 837 A N -0.133 122.705 122.820 0.030 0.000 1.978 837 A HA -0.149 4.167 4.320 -0.006 0.000 0.220 837 A C 2.498 180.135 177.584 0.088 0.000 1.170 837 A CA 1.859 53.926 52.037 0.051 0.000 0.636 837 A CB -0.750 18.274 19.000 0.040 0.000 0.810 837 A HN 0.612 nan 8.150 nan 0.000 0.448 838 A N -0.262 122.634 122.820 0.126 0.000 1.845 838 A HA -0.149 4.167 4.320 -0.006 0.000 0.215 838 A C 1.930 179.580 177.584 0.110 0.000 1.195 838 A CA 1.972 54.090 52.037 0.134 0.000 0.616 838 A CB -0.581 18.534 19.000 0.193 0.000 0.832 838 A HN 0.445 nan 8.150 nan 0.000 0.443 839 E N -0.264 120.006 120.200 0.117 0.000 2.150 839 E HA -0.105 4.241 4.350 -0.006 0.000 0.193 839 E C 1.867 178.522 176.600 0.092 0.000 0.985 839 E CA 0.357 56.837 56.400 0.134 0.000 0.814 839 E CB -0.267 29.568 29.700 0.224 0.000 0.752 839 E HN 0.438 nan 8.360 nan 0.000 0.466 840 L N 0.800 122.052 121.223 0.049 0.000 2.026 840 L HA -0.242 4.094 4.340 -0.006 0.000 0.231 840 L C 0.680 177.586 176.870 0.060 0.000 1.095 840 L CA 2.031 56.885 54.840 0.022 0.000 0.810 840 L CB -0.659 41.429 42.059 0.049 0.000 0.909 840 L HN 0.303 nan 8.230 nan 0.000 0.444 841 H N 1.025 120.112 119.070 0.029 0.000 2.623 841 H HA 0.500 5.052 4.556 -0.006 0.000 0.299 841 H C -0.530 174.823 175.328 0.041 0.000 1.052 841 H CA -0.404 55.663 56.048 0.033 0.000 1.231 841 H CB 0.444 30.222 29.762 0.028 0.000 1.389 841 H HN 0.348 nan 8.280 nan 0.000 0.469 842 R N 2.843 123.288 120.500 -0.092 0.000 2.692 842 R HA 0.199 4.536 4.340 -0.006 0.000 0.269 842 R C -0.693 175.560 176.300 -0.078 0.000 1.030 842 R CA -0.985 55.112 56.100 -0.006 0.000 0.882 842 R CB 2.352 32.682 30.300 0.050 0.000 1.250 842 R HN 0.494 nan 8.270 nan 0.000 0.465 843 R N 1.654 122.142 120.500 -0.020 0.000 2.343 843 R HA 0.110 4.447 4.340 -0.006 0.000 0.326 843 R C -0.568 175.730 176.300 -0.004 0.000 1.055 843 R CA 0.098 56.184 56.100 -0.022 0.000 0.961 843 R CB 0.406 30.709 30.300 0.005 0.000 0.978 843 R HN 0.656 nan 8.270 nan 0.000 0.443 844 S N 3.326 119.021 115.700 -0.008 0.000 2.513 844 S HA 0.088 4.555 4.470 -0.006 0.000 0.276 844 S C 0.596 175.203 174.600 0.012 0.000 1.254 844 S CA -0.924 57.287 58.200 0.018 0.000 1.053 844 S CB 1.299 64.522 63.200 0.037 0.000 0.958 844 S HN 0.810 nan 8.310 nan 0.000 0.491 845 N N 1.951 120.658 118.700 0.012 0.000 2.270 845 N HA 0.163 4.900 4.740 -0.006 0.000 0.198 845 N C 1.147 176.662 175.510 0.008 0.000 1.117 845 N CA 0.321 53.376 53.050 0.008 0.000 0.845 845 N CB -0.407 38.084 38.487 0.006 0.000 0.980 845 N HN 1.240 nan 8.380 nan 0.000 0.486 846 G N 0.970 109.777 108.800 0.011 0.000 2.148 846 G HA2 -0.318 3.638 3.960 -0.006 0.000 0.254 846 G HA3 -0.318 3.638 3.960 -0.006 0.000 0.254 846 G C 0.118 175.016 174.900 -0.002 0.000 0.981 846 G CA 0.175 45.280 45.100 0.009 0.000 0.670 846 G HN 0.507 nan 8.290 nan 0.000 0.528 847 R N 0.164 120.658 120.500 -0.009 0.000 2.881 847 R HA 0.401 4.738 4.340 -0.006 0.000 0.331 847 R C -0.141 176.133 176.300 -0.044 0.000 1.207 847 R CA 0.344 56.435 56.100 -0.016 0.000 1.265 847 R CB 0.955 31.254 30.300 -0.002 0.000 1.351 847 R HN 0.265 nan 8.270 nan 0.000 0.613 848 T N 0.446 114.950 114.554 -0.082 0.000 2.909 848 T HA 0.479 4.826 4.350 -0.006 0.000 0.299 848 T C -1.753 172.793 174.700 -0.257 0.000 1.073 848 T CA -0.668 61.324 62.100 -0.180 0.000 0.999 848 T CB 1.567 70.281 68.868 -0.258 0.000 1.098 848 T HN 0.156 nan 8.240 nan 0.000 0.477 849 L N 5.162 126.216 121.223 -0.282 0.000 2.333 849 L HA 0.664 5.001 4.340 -0.006 0.000 0.280 849 L C -1.755 174.929 176.870 -0.309 0.000 1.004 849 L CA -0.668 54.042 54.840 -0.217 0.000 0.820 849 L CB 0.839 42.844 42.059 -0.090 0.000 1.247 849 L HN 0.719 nan 8.230 nan 0.000 0.416 850 Y N 5.379 125.645 120.300 -0.057 0.000 2.334 850 Y HA 0.620 5.166 4.550 -0.006 0.000 0.328 850 Y C 0.027 175.861 175.900 -0.109 0.000 1.130 850 Y CA -0.444 57.612 58.100 -0.072 0.000 1.163 850 Y CB 1.470 39.880 38.460 -0.083 0.000 1.207 850 Y HN 0.397 nan 8.280 nan 0.000 0.471 851 I N 5.149 125.733 120.570 0.024 0.000 2.476 851 I HA 0.283 4.450 4.170 -0.006 0.000 0.281 851 I C -1.240 174.828 176.117 -0.082 0.000 1.040 851 I CA -0.355 60.906 61.300 -0.065 0.000 1.094 851 I CB 0.890 38.824 38.000 -0.110 0.000 1.219 851 I HN 0.368 nan 8.210 nan 0.000 0.450 852 L N 4.704 125.880 121.223 -0.079 0.000 2.307 852 L HA 0.521 4.858 4.340 -0.006 0.000 0.284 852 L C -0.410 176.419 176.870 -0.068 0.000 1.023 852 L CA -0.622 54.176 54.840 -0.070 0.000 0.810 852 L CB 1.812 43.836 42.059 -0.059 0.000 1.231 852 L HN 0.475 nan 8.230 nan 0.000 0.423 853 D N 3.990 124.355 120.400 -0.059 0.000 2.373 853 D HA 0.093 4.729 4.640 -0.006 0.000 0.227 853 D C 0.010 176.298 176.300 -0.021 0.000 1.091 853 D CA -0.132 53.843 54.000 -0.042 0.000 0.840 853 D CB 0.760 41.535 40.800 -0.041 0.000 1.060 853 D HN 0.580 nan 8.370 nan 0.000 0.502 854 E N 3.069 123.264 120.200 -0.009 0.000 2.197 854 E HA -0.176 4.171 4.350 -0.006 0.000 0.184 854 E C -1.627 174.976 176.600 0.004 0.000 1.439 854 E CA -0.058 56.349 56.400 0.013 0.000 0.688 854 E CB -0.418 29.306 29.700 0.039 0.000 1.090 854 E HN 0.527 nan 8.360 nan 0.000 0.341 855 P HA -0.136 nan 4.420 nan 0.000 0.228 855 P C 1.103 178.398 177.300 -0.009 0.000 1.151 855 P CA 0.877 63.973 63.100 -0.006 0.000 0.770 855 P CB 0.194 31.895 31.700 0.002 0.000 0.786 856 T N -1.006 113.547 114.554 -0.003 0.000 2.867 856 T HA -0.077 4.270 4.350 -0.006 0.000 0.268 856 T C 1.056 175.726 174.700 -0.049 0.000 1.057 856 T CA 0.986 63.070 62.100 -0.027 0.000 1.136 856 T CB -1.042 67.820 68.868 -0.011 0.000 0.874 856 T HN 0.199 nan 8.240 nan 0.000 0.466 857 T N 1.602 116.144 114.554 -0.020 0.000 2.596 857 T HA 0.201 4.548 4.350 -0.006 0.000 0.252 857 T C 1.169 175.847 174.700 -0.037 0.000 1.033 857 T CA 1.118 63.210 62.100 -0.013 0.000 1.215 857 T CB -0.862 68.006 68.868 0.001 0.000 1.011 857 T HN 0.667 nan 8.240 nan 0.000 0.498 858 G N 4.053 112.822 108.800 -0.050 0.000 2.171 858 G HA2 -0.154 3.803 3.960 -0.006 0.000 0.238 858 G HA3 -0.154 3.803 3.960 -0.006 0.000 0.238 858 G C -0.179 174.566 174.900 -0.259 0.000 1.039 858 G CA 0.095 45.155 45.100 -0.067 0.000 0.759 858 G HN 0.840 nan 8.290 nan 0.000 0.501 859 L N -0.170 120.747 121.223 -0.510 0.000 2.370 859 L HA 0.550 4.887 4.340 -0.006 0.000 0.266 859 L C 0.722 177.147 176.870 -0.742 0.000 1.002 859 L CA -1.326 53.225 54.840 -0.481 0.000 0.818 859 L CB 1.913 43.843 42.059 -0.216 0.000 1.325 859 L HN 0.308 nan 8.230 nan 0.000 0.418 860 H N 0.779 119.575 119.070 -0.457 0.000 2.597 860 H HA 0.137 4.689 4.556 -0.006 0.000 0.370 860 H C 0.563 175.759 175.328 -0.219 0.000 1.281 860 H CA -0.267 55.681 56.048 -0.166 0.000 1.422 860 H CB 2.012 31.740 29.762 -0.056 0.000 1.524 860 H HN 0.392 nan 8.280 nan 0.000 0.607 861 V N 2.384 121.838 119.914 -0.766 0.000 2.343 861 V HA -0.262 3.854 4.120 -0.006 0.000 0.247 861 V C 2.116 177.931 176.094 -0.465 0.000 1.051 861 V CA 2.322 64.260 62.300 -0.603 0.000 1.036 861 V CB -0.635 30.733 31.823 -0.758 0.000 0.654 861 V HN 0.769 nan 8.190 nan 0.000 0.451 862 D N 0.002 120.117 120.400 -0.476 0.000 2.149 862 D HA -0.200 4.436 4.640 -0.006 0.000 0.198 862 D C 1.750 178.044 176.300 -0.010 0.000 0.990 862 D CA 1.336 55.278 54.000 -0.097 0.000 0.839 862 D CB -0.105 40.784 40.800 0.148 0.000 0.948 862 D HN 0.417 nan 8.370 nan 0.000 0.460 863 D N -0.382 120.009 120.400 -0.015 0.000 2.183 863 D HA -0.083 4.553 4.640 -0.006 0.000 0.203 863 D C 2.095 178.368 176.300 -0.044 0.000 0.969 863 D CA 0.286 54.269 54.000 -0.029 0.000 0.842 863 D CB -0.024 40.753 40.800 -0.038 0.000 0.957 863 D HN 0.310 nan 8.370 nan 0.000 0.484 864 I N 1.386 121.914 120.570 -0.071 0.000 2.286 864 I HA -0.203 3.964 4.170 -0.006 0.000 0.248 864 I C 2.483 178.584 176.117 -0.027 0.000 1.115 864 I CA 0.573 61.843 61.300 -0.051 0.000 1.392 864 I CB -1.239 36.722 38.000 -0.064 0.000 1.065 864 I HN -0.121 nan 8.210 nan 0.000 0.418 865 A N 1.211 124.016 122.820 -0.025 0.000 1.873 865 A HA -0.253 4.063 4.320 -0.006 0.000 0.218 865 A C 2.521 180.099 177.584 -0.010 0.000 1.193 865 A CA 1.972 54.002 52.037 -0.012 0.000 0.629 865 A CB -0.716 18.296 19.000 0.021 0.000 0.826 865 A HN 0.327 nan 8.150 nan 0.000 0.447 866 R N -1.492 119.006 120.500 -0.003 0.000 2.115 866 R HA -0.026 4.310 4.340 -0.006 0.000 0.230 866 R C 2.086 178.391 176.300 0.009 0.000 1.111 866 R CA 1.177 57.279 56.100 0.003 0.000 0.976 866 R CB -0.381 29.917 30.300 -0.003 0.000 0.870 866 R HN 0.487 nan 8.270 nan 0.000 0.445 867 L N 0.775 122.002 121.223 0.006 0.000 2.056 867 L HA -0.086 4.251 4.340 -0.006 0.000 0.207 867 L C 1.810 178.713 176.870 0.055 0.000 1.078 867 L CA 1.568 56.420 54.840 0.020 0.000 0.749 867 L CB -0.269 41.797 42.059 0.013 0.000 0.901 867 L HN 0.138 nan 8.230 nan 0.000 0.433 868 L N -0.676 120.578 121.223 0.051 0.000 2.127 868 L HA -0.230 4.107 4.340 -0.006 0.000 0.211 868 L C 2.196 179.130 176.870 0.107 0.000 1.089 868 L CA 1.159 56.053 54.840 0.090 0.000 0.757 868 L CB -0.800 41.246 42.059 -0.021 0.000 0.899 868 L HN 0.304 nan 8.230 nan 0.000 0.434 869 D N -0.336 120.086 120.400 0.037 0.000 2.097 869 D HA -0.156 4.481 4.640 -0.006 0.000 0.195 869 D C 2.321 178.666 176.300 0.074 0.000 0.989 869 D CA 1.243 55.265 54.000 0.037 0.000 0.827 869 D CB -0.192 40.618 40.800 0.017 0.000 0.966 869 D HN 0.117 nan 8.370 nan 0.000 0.456 870 V N 1.425 121.375 119.914 0.061 0.000 2.295 870 V HA -0.198 3.918 4.120 -0.006 0.000 0.246 870 V C 2.592 178.709 176.094 0.039 0.000 1.049 870 V CA 0.993 63.318 62.300 0.042 0.000 1.024 870 V CB -0.328 31.508 31.823 0.021 0.000 0.648 870 V HN 0.216 nan 8.190 nan 0.000 0.447 871 L N -0.473 120.799 121.223 0.081 0.000 2.017 871 L HA -0.176 4.161 4.340 -0.006 0.000 0.208 871 L C 2.501 179.428 176.870 0.095 0.000 1.073 871 L CA 2.100 56.993 54.840 0.088 0.000 0.745 871 L CB -1.664 40.554 42.059 0.265 0.000 0.894 871 L HN 0.482 nan 8.230 nan 0.000 0.432 872 H N -0.806 118.325 119.070 0.102 0.000 2.521 872 H HA -0.092 4.461 4.556 -0.006 0.000 0.286 872 H C 2.289 177.643 175.328 0.043 0.000 1.034 872 H CA 0.695 56.789 56.048 0.077 0.000 1.278 872 H CB 0.325 30.076 29.762 -0.019 0.000 1.386 872 H HN 0.286 nan 8.280 nan 0.000 0.567 873 R N 0.427 120.995 120.500 0.114 0.000 2.115 873 R HA -0.065 4.271 4.340 -0.006 0.000 0.226 873 R C 2.024 178.341 176.300 0.028 0.000 1.100 873 R CA 0.274 56.410 56.100 0.060 0.000 0.980 873 R CB 0.171 30.495 30.300 0.040 0.000 0.875 873 R HN 0.149 nan 8.270 nan 0.000 0.445 874 L N 0.362 121.584 121.223 -0.002 0.000 2.093 874 L HA -0.114 4.223 4.340 -0.006 0.000 0.208 874 L C 2.323 179.211 176.870 0.031 0.000 1.085 874 L CA 1.277 56.103 54.840 -0.023 0.000 0.755 874 L CB -0.776 41.187 42.059 -0.161 0.000 0.904 874 L HN 0.107 nan 8.230 nan 0.000 0.435 875 V N -0.367 119.564 119.914 0.030 0.000 2.453 875 V HA -0.227 3.890 4.120 -0.006 0.000 0.247 875 V C 2.247 178.365 176.094 0.040 0.000 1.048 875 V CA 1.364 63.684 62.300 0.033 0.000 1.049 875 V CB -0.439 31.399 31.823 0.025 0.000 0.672 875 V HN 0.351 nan 8.190 nan 0.000 0.457 876 D N 0.769 121.201 120.400 0.053 0.000 2.123 876 D HA -0.151 4.486 4.640 -0.006 0.000 0.196 876 D C 1.727 178.044 176.300 0.029 0.000 0.992 876 D CA 1.252 55.279 54.000 0.045 0.000 0.833 876 D CB -0.359 40.471 40.800 0.049 0.000 0.954 876 D HN 0.387 nan 8.370 nan 0.000 0.455 877 N N -0.301 118.415 118.700 0.027 0.000 2.571 877 N HA 0.035 4.772 4.740 -0.006 0.000 0.189 877 N C 1.377 176.900 175.510 0.022 0.000 1.154 877 N CA 0.958 54.020 53.050 0.021 0.000 0.907 877 N CB 0.763 39.259 38.487 0.015 0.000 0.977 877 N HN 0.331 nan 8.380 nan 0.000 0.449 878 G N -0.308 108.504 108.800 0.020 0.000 2.218 878 G HA2 -0.208 3.748 3.960 -0.006 0.000 0.216 878 G HA3 -0.208 3.748 3.960 -0.006 0.000 0.216 878 G C -0.180 174.726 174.900 0.010 0.000 0.994 878 G CA -0.187 44.917 45.100 0.008 0.000 0.637 878 G HN 0.289 nan 8.290 nan 0.000 0.505 879 D N 0.757 121.184 120.400 0.045 0.000 2.411 879 D HA 0.563 5.200 4.640 -0.006 0.000 0.251 879 D C 0.321 176.647 176.300 0.043 0.000 1.201 879 D CA 0.580 54.621 54.000 0.070 0.000 0.996 879 D CB 0.827 41.762 40.800 0.226 0.000 1.101 879 D HN 0.105 nan 8.370 nan 0.000 0.504 880 T N 0.031 114.605 114.554 0.033 0.000 2.829 880 T HA 0.471 4.817 4.350 -0.006 0.000 0.280 880 T C -0.353 174.357 174.700 0.017 0.000 0.999 880 T CA -0.655 61.431 62.100 -0.024 0.000 0.983 880 T CB 1.569 70.385 68.868 -0.086 0.000 0.968 880 T HN -0.004 nan 8.240 nan 0.000 0.446 881 V N 4.092 123.936 119.914 -0.116 0.000 2.407 881 V HA 0.491 4.608 4.120 -0.006 0.000 0.291 881 V C -0.442 175.391 176.094 -0.435 0.000 1.018 881 V CA -0.803 61.359 62.300 -0.230 0.000 0.842 881 V CB 1.568 33.174 31.823 -0.362 0.000 0.996 881 V HN 0.741 nan 8.190 nan 0.000 0.426 882 L N 5.746 126.801 121.223 -0.281 0.000 2.322 882 L HA 0.864 5.201 4.340 -0.006 0.000 0.281 882 L C -0.945 175.777 176.870 -0.247 0.000 1.014 882 L CA -0.450 54.237 54.840 -0.256 0.000 0.815 882 L CB 1.871 43.853 42.059 -0.127 0.000 1.247 882 L HN 0.519 nan 8.230 nan 0.000 0.421 883 V N 5.997 125.768 119.914 -0.238 0.000 2.876 883 V HA 0.506 4.622 4.120 -0.006 0.000 0.312 883 V C -0.532 175.515 176.094 -0.079 0.000 1.085 883 V CA -0.529 61.682 62.300 -0.149 0.000 0.945 883 V CB 2.417 34.156 31.823 -0.140 0.000 1.017 883 V HN 0.633 nan 8.190 nan 0.000 0.428 884 I N 5.634 126.166 120.570 -0.064 0.000 2.347 884 I HA 0.544 4.711 4.170 -0.006 0.000 0.283 884 I C -0.185 175.880 176.117 -0.087 0.000 1.058 884 I CA -0.228 61.029 61.300 -0.072 0.000 1.202 884 I CB 0.743 38.705 38.000 -0.063 0.000 1.386 884 I HN 0.506 nan 8.210 nan 0.000 0.475 885 E N 3.896 124.033 120.200 -0.105 0.000 2.312 885 E HA 0.415 4.761 4.350 -0.006 0.000 0.267 885 E C -0.091 176.379 176.600 -0.216 0.000 0.894 885 E CA -0.556 55.785 56.400 -0.097 0.000 0.773 885 E CB 2.172 31.880 29.700 0.013 0.000 1.241 885 E HN 0.446 nan 8.360 nan 0.000 0.432 886 H N -0.094 118.980 119.070 0.006 0.000 2.885 886 H HA 0.121 4.674 4.556 -0.005 0.000 0.260 886 H C 0.151 175.436 175.328 -0.072 0.000 0.985 886 H CA -0.100 55.920 56.048 -0.047 0.000 1.210 886 H CB 0.917 30.648 29.762 -0.052 0.000 1.466 886 H HN 0.274 nan 8.280 nan 0.000 0.493 887 N N 2.144 120.889 118.700 0.074 0.000 2.416 887 N HA -0.013 4.723 4.740 -0.006 0.000 0.265 887 N C 1.206 176.732 175.510 0.026 0.000 1.195 887 N CA -0.029 53.042 53.050 0.035 0.000 0.943 887 N CB 0.785 39.288 38.487 0.027 0.000 1.115 887 N HN 0.237 nan 8.380 nan 0.000 0.481 888 L N 2.428 123.659 121.223 0.013 0.000 2.187 888 L HA -0.177 4.160 4.340 -0.006 0.000 0.213 888 L C 1.329 178.217 176.870 0.030 0.000 1.100 888 L CA 0.927 55.781 54.840 0.023 0.000 0.765 888 L CB -0.137 41.939 42.059 0.027 0.000 0.904 888 L HN 0.430 nan 8.230 nan 0.000 0.437 889 D N -0.577 119.837 120.400 0.023 0.000 2.219 889 D HA -0.116 4.521 4.640 -0.006 0.000 0.205 889 D C 2.259 178.566 176.300 0.012 0.000 0.970 889 D CA 0.917 54.930 54.000 0.021 0.000 0.851 889 D CB 0.077 40.885 40.800 0.012 0.000 0.943 889 D HN 0.147 nan 8.370 nan 0.000 0.488 890 V N 0.652 120.583 119.914 0.029 0.000 2.500 890 V HA -0.076 4.041 4.120 -0.006 0.000 0.243 890 V C 2.438 178.579 176.094 0.077 0.000 1.039 890 V CA 0.572 62.903 62.300 0.052 0.000 1.053 890 V CB -0.089 31.800 31.823 0.109 0.000 0.695 890 V HN 0.135 nan 8.190 nan 0.000 0.463 891 I N 1.179 121.799 120.570 0.083 0.000 2.163 891 I HA -0.304 3.863 4.170 -0.006 0.000 0.243 891 I C 2.631 178.791 176.117 0.071 0.000 1.085 891 I CA 2.164 63.521 61.300 0.096 0.000 1.347 891 I CB -0.512 37.530 38.000 0.070 0.000 1.044 891 I HN 0.425 nan 8.210 nan 0.000 0.408 892 K N 0.495 120.920 120.400 0.042 0.000 2.147 892 K HA -0.115 4.201 4.320 -0.006 0.000 0.205 892 K C 1.760 178.363 176.600 0.003 0.000 1.049 892 K CA 1.774 58.077 56.287 0.026 0.000 0.936 892 K CB -0.620 31.893 32.500 0.023 0.000 0.722 892 K HN 0.173 nan 8.250 nan 0.000 0.446 893 T N 1.271 115.805 114.554 -0.033 0.000 2.951 893 T HA 0.101 4.447 4.350 -0.006 0.000 0.268 893 T C 1.008 175.658 174.700 -0.083 0.000 1.073 893 T CA 0.622 62.654 62.100 -0.113 0.000 1.134 893 T CB -0.164 68.571 68.868 -0.222 0.000 0.884 893 T HN 0.489 nan 8.240 nan 0.000 0.479 894 A N 1.979 124.796 122.820 -0.006 0.000 2.547 894 A HA 0.070 4.386 4.320 -0.006 0.000 0.233 894 A C 1.061 178.755 177.584 0.182 0.000 1.067 894 A CA -0.055 52.093 52.037 0.186 0.000 0.763 894 A CB 0.129 19.345 19.000 0.359 0.000 1.007 894 A HN 0.241 nan 8.150 nan 0.000 0.506 895 D N -1.133 119.422 120.400 0.259 0.000 2.271 895 D HA 0.098 4.735 4.640 -0.006 0.000 0.206 895 D C -0.351 176.095 176.300 0.244 0.000 0.967 895 D CA 1.544 55.668 54.000 0.207 0.000 0.867 895 D CB 0.175 41.094 40.800 0.199 0.000 0.960 895 D HN 0.568 nan 8.370 nan 0.000 0.509 896 Y N 0.402 120.772 120.300 0.116 0.000 2.513 896 Y HA 0.384 4.931 4.550 -0.006 0.000 0.340 896 Y C -1.446 174.515 175.900 0.101 0.000 1.055 896 Y CA -1.140 57.015 58.100 0.091 0.000 1.020 896 Y CB 1.578 40.071 38.460 0.054 0.000 1.301 896 Y HN -0.208 nan 8.280 nan 0.000 0.453 897 I N 3.936 124.490 120.570 -0.027 0.000 2.686 897 I HA 0.610 4.777 4.170 -0.006 0.000 0.295 897 I C -1.699 174.427 176.117 0.015 0.000 1.114 897 I CA -1.016 60.322 61.300 0.063 0.000 1.038 897 I CB 2.537 40.566 38.000 0.049 0.000 1.238 897 I HN 0.578 nan 8.210 nan 0.000 0.420 898 I N 4.256 124.891 120.570 0.110 0.000 2.460 898 I HA 0.253 4.420 4.170 -0.006 0.000 0.277 898 I C -0.633 175.523 176.117 0.066 0.000 1.057 898 I CA -0.200 61.165 61.300 0.109 0.000 1.179 898 I CB 0.950 39.052 38.000 0.170 0.000 1.329 898 I HN 0.616 nan 8.210 nan 0.000 0.478 899 D N 4.942 125.370 120.400 0.046 0.000 2.389 899 D HA 0.367 5.003 4.640 -0.006 0.000 0.247 899 D C -0.788 175.535 176.300 0.038 0.000 1.128 899 D CA 0.177 54.205 54.000 0.047 0.000 0.884 899 D CB 1.158 41.990 40.800 0.054 0.000 1.194 899 D HN 0.182 nan 8.370 nan 0.000 0.441 900 L N 2.410 123.649 121.223 0.026 0.000 2.330 900 L HA 0.608 4.945 4.340 -0.006 0.000 0.271 900 L C 0.516 177.389 176.870 0.005 0.000 1.013 900 L CA -0.266 54.582 54.840 0.014 0.000 0.816 900 L CB 1.627 43.686 42.059 -0.001 0.000 1.287 900 L HN 0.620 nan 8.230 nan 0.000 0.435 901 G N 3.396 112.200 108.800 0.006 0.000 2.969 901 G HA2 -0.155 3.802 3.960 -0.006 0.000 0.303 901 G HA3 -0.155 3.802 3.960 -0.006 0.000 0.303 901 G C -2.529 172.381 174.900 0.018 0.000 0.230 901 G CA -0.569 44.534 45.100 0.006 0.000 1.225 901 G HN 0.503 nan 8.290 nan 0.000 0.295 902 P HA 0.290 nan 4.420 nan 0.000 0.282 902 P C 0.144 177.485 177.300 0.069 0.000 1.274 902 P CA 0.124 63.289 63.100 0.108 0.000 0.770 902 P CB 1.034 32.788 31.700 0.090 0.000 0.867 903 E N 0.397 120.604 120.200 0.011 0.000 9.197 903 E HA -0.136 4.210 4.350 -0.006 0.000 0.478 903 E C 0.230 176.778 176.600 -0.086 0.000 1.409 903 E CA 0.886 57.240 56.400 -0.077 0.000 2.454 903 E CB -1.654 28.048 29.700 0.003 0.000 1.029 903 E HN 0.653 nan 8.360 nan 0.000 0.289 904 G N -0.986 107.763 108.800 -0.085 0.000 2.613 904 G HA2 0.723 4.679 3.960 -0.006 0.000 0.303 904 G HA3 0.723 4.679 3.960 -0.006 0.000 0.303 904 G C 0.651 175.533 174.900 -0.031 0.000 1.312 904 G CA 0.763 45.793 45.100 -0.115 0.000 1.036 904 G HN 1.240 nan 8.290 nan 0.000 0.513 905 G N -0.029 108.751 108.800 -0.033 0.000 2.547 905 G HA2 -0.315 3.641 3.960 -0.006 0.000 0.271 905 G HA3 -0.315 3.641 3.960 -0.006 0.000 0.271 905 G C 0.812 175.731 174.900 0.032 0.000 1.209 905 G CA 0.970 46.108 45.100 0.063 0.000 0.959 905 G HN 0.899 nan 8.290 nan 0.000 0.563 906 D N 0.593 121.022 120.400 0.047 0.000 2.347 906 D HA 0.050 4.687 4.640 -0.006 0.000 0.215 906 D C 1.879 178.196 176.300 0.028 0.000 0.976 906 D CA 0.622 54.644 54.000 0.038 0.000 0.884 906 D CB -0.033 40.792 40.800 0.041 0.000 0.915 906 D HN 0.413 nan 8.370 nan 0.000 0.526 907 R N -0.224 120.292 120.500 0.027 0.000 4.390 907 R HA 0.494 4.831 4.340 -0.006 0.000 0.229 907 R C 0.287 176.594 176.300 0.012 0.000 1.674 907 R CA -0.234 55.880 56.100 0.024 0.000 1.526 907 R CB 0.685 31.003 30.300 0.029 0.000 1.418 907 R HN 0.062 nan 8.270 nan 0.000 0.790 908 G N -1.535 107.270 108.800 0.008 0.000 2.435 908 G HA2 0.362 4.319 3.960 -0.006 0.000 0.296 908 G HA3 0.362 4.319 3.960 -0.006 0.000 0.296 908 G C -0.174 174.727 174.900 0.002 0.000 1.240 908 G CA -0.173 44.924 45.100 -0.004 0.000 0.872 908 G HN 0.212 nan 8.290 nan 0.000 0.480 909 G N -0.463 108.334 108.800 -0.005 0.000 2.246 909 G HA2 0.172 4.129 3.960 -0.006 0.000 0.273 909 G HA3 0.172 4.129 3.960 -0.006 0.000 0.273 909 G C 0.112 175.022 174.900 0.016 0.000 1.055 909 G CA 1.560 46.664 45.100 0.008 0.000 0.851 909 G HN 1.489 nan 8.290 nan 0.000 0.500 910 Q N -0.988 118.821 119.800 0.015 0.000 2.418 910 Q HA 0.714 5.051 4.340 -0.006 0.000 0.282 910 Q C -0.404 175.609 176.000 0.022 0.000 1.044 910 Q CA -1.528 54.287 55.803 0.019 0.000 0.813 910 Q CB 1.603 30.352 28.738 0.018 0.000 1.428 910 Q HN 0.100 nan 8.270 nan 0.000 0.402 911 I N 2.669 123.254 120.570 0.026 0.000 2.436 911 I HA -0.005 4.162 4.170 -0.006 0.000 0.289 911 I C 1.026 177.158 176.117 0.025 0.000 1.083 911 I CA -0.119 61.200 61.300 0.031 0.000 1.372 911 I CB 0.655 38.679 38.000 0.040 0.000 1.408 911 I HN 0.682 nan 8.210 nan 0.000 0.516 912 V N 5.527 125.456 119.914 0.026 0.000 2.725 912 V HA 0.267 4.384 4.120 -0.006 0.000 0.247 912 V C 0.853 176.957 176.094 0.015 0.000 1.058 912 V CA 1.063 63.376 62.300 0.021 0.000 1.080 912 V CB -0.164 31.677 31.823 0.030 0.000 0.713 912 V HN 0.909 nan 8.190 nan 0.000 0.465 913 A N -0.218 122.612 122.820 0.018 0.000 2.573 913 A HA 0.628 4.945 4.320 -0.006 0.000 0.299 913 A C -1.033 176.550 177.584 -0.002 0.000 1.060 913 A CA -0.030 52.009 52.037 0.005 0.000 0.736 913 A CB 1.242 20.242 19.000 -0.001 0.000 1.280 913 A HN 0.635 nan 8.150 nan 0.000 0.401 914 V N -0.352 119.550 119.914 -0.021 0.000 3.113 914 V HA 1.064 5.180 4.120 -0.006 0.000 0.316 914 V C 0.570 176.529 176.094 -0.225 0.000 1.125 914 V CA 0.118 62.379 62.300 -0.066 0.000 1.026 914 V CB 0.979 32.847 31.823 0.074 0.000 1.080 914 V HN 2.968 nan 8.190 nan 0.000 0.444 915 G N 0.347 108.748 108.800 -0.665 0.000 2.352 915 G HA2 0.149 4.105 3.960 -0.006 0.000 0.324 915 G HA3 0.149 4.105 3.960 -0.006 0.000 0.324 915 G C -0.218 174.273 174.900 -0.681 0.000 1.249 915 G CA -0.127 44.505 45.100 -0.779 0.000 1.053 915 G HN 1.360 nan 8.290 nan 0.000 0.492 916 T N 1.203 115.581 114.554 -0.293 0.000 2.813 916 T HA 0.502 4.848 4.350 -0.006 0.000 0.297 916 T C -0.758 173.896 174.700 -0.076 0.000 1.036 916 T CA -0.306 61.727 62.100 -0.112 0.000 1.044 916 T CB 0.987 69.849 68.868 -0.010 0.000 0.993 916 T HN 0.252 nan 8.240 nan 0.000 0.535 917 P HA -0.054 nan 4.420 nan 0.000 0.216 917 P C 0.970 178.268 177.300 -0.003 0.000 1.150 917 P CA 1.086 64.186 63.100 -0.001 0.000 0.837 917 P CB 0.202 31.915 31.700 0.022 0.000 0.786 918 E N -0.236 119.961 120.200 -0.005 0.000 2.046 918 E HA -0.149 4.197 4.350 -0.006 0.000 0.190 918 E C 1.950 178.543 176.600 -0.011 0.000 0.982 918 E CA 1.043 57.440 56.400 -0.004 0.000 0.800 918 E CB -0.802 28.897 29.700 -0.002 0.000 0.756 918 E HN 0.367 nan 8.360 nan 0.000 0.449 919 E N 0.060 120.247 120.200 -0.020 0.000 2.171 919 E HA -0.164 4.183 4.350 -0.006 0.000 0.197 919 E C 1.805 178.387 176.600 -0.029 0.000 0.997 919 E CA 1.269 57.653 56.400 -0.026 0.000 0.810 919 E CB 0.038 29.714 29.700 -0.040 0.000 0.738 919 E HN 0.086 nan 8.360 nan 0.000 0.467 920 V N 0.517 120.411 119.914 -0.033 0.000 2.951 920 V HA -0.047 4.070 4.120 -0.006 0.000 0.255 920 V C 2.075 178.171 176.094 0.003 0.000 1.088 920 V CA 1.192 63.480 62.300 -0.019 0.000 1.109 920 V CB -0.098 31.712 31.823 -0.022 0.000 0.724 920 V HN 0.272 nan 8.190 nan 0.000 0.471 921 A N 1.308 124.130 122.820 0.003 0.000 2.015 921 A HA -0.190 4.127 4.320 -0.006 0.000 0.219 921 A C 2.063 179.647 177.584 0.001 0.000 1.163 921 A CA 1.560 53.603 52.037 0.010 0.000 0.646 921 A CB -0.314 18.690 19.000 0.007 0.000 0.806 921 A HN 0.770 nan 8.150 nan 0.000 0.448 922 E N -0.398 119.799 120.200 -0.005 0.000 2.489 922 E HA 0.197 4.543 4.350 -0.006 0.000 0.193 922 E C -0.535 176.058 176.600 -0.011 0.000 1.057 922 E CA -0.054 56.340 56.400 -0.009 0.000 0.866 922 E CB -0.063 29.632 29.700 -0.009 0.000 0.916 922 E HN 0.202 nan 8.360 nan 0.000 0.500 923 V N 2.585 122.494 119.914 -0.010 0.000 2.385 923 V HA 0.046 4.163 4.120 -0.006 0.000 0.269 923 V C 1.220 177.302 176.094 -0.021 0.000 1.043 923 V CA -0.263 62.029 62.300 -0.013 0.000 0.906 923 V CB 1.212 33.029 31.823 -0.010 0.000 0.995 923 V HN 0.204 nan 8.190 nan 0.000 0.467 924 K N 3.434 123.817 120.400 -0.029 0.000 2.155 924 K HA -0.087 4.230 4.320 -0.006 0.000 0.203 924 K C 1.440 177.996 176.600 -0.073 0.000 1.052 924 K CA 1.366 57.627 56.287 -0.044 0.000 0.948 924 K CB 0.258 32.736 32.500 -0.037 0.000 0.728 924 K HN 0.762 nan 8.250 nan 0.000 0.448 925 E N 0.341 120.501 120.200 -0.066 0.000 2.511 925 E HA -0.032 4.315 4.350 -0.006 0.000 0.196 925 E C -0.131 176.396 176.600 -0.122 0.000 1.066 925 E CA -0.000 56.345 56.400 -0.091 0.000 0.871 925 E CB 0.491 30.164 29.700 -0.045 0.000 0.863 925 E HN 0.002 nan 8.360 nan 0.000 0.520 926 S N -0.025 115.623 115.700 -0.087 0.000 2.438 926 S HA 0.111 4.577 4.470 -0.006 0.000 0.316 926 S C 0.724 175.319 174.600 -0.008 0.000 1.084 926 S CA -0.755 57.428 58.200 -0.028 0.000 1.107 926 S CB 0.419 63.637 63.200 0.029 0.000 0.981 926 S HN 0.204 nan 8.310 nan 0.000 0.466 927 H N 3.425 122.552 119.070 0.095 0.000 2.387 927 H HA -0.062 4.490 4.556 -0.006 0.000 0.299 927 H C 1.836 177.395 175.328 0.385 0.000 1.090 927 H CA 1.858 58.031 56.048 0.208 0.000 1.332 927 H CB -0.342 29.447 29.762 0.045 0.000 1.386 927 H HN 0.570 nan 8.280 nan 0.000 0.516 928 T N 0.103 114.919 114.554 0.437 0.000 2.652 928 T HA -0.141 4.206 4.350 -0.006 0.000 0.267 928 T C 2.366 177.221 174.700 0.260 0.000 1.039 928 T CA 1.358 63.700 62.100 0.404 0.000 1.153 928 T CB -0.721 68.324 68.868 0.295 0.000 0.863 928 T HN 0.555 nan 8.240 nan 0.000 0.428 929 G N 0.981 109.884 108.800 0.172 0.000 2.421 929 G HA2 -0.254 3.703 3.960 -0.006 0.000 0.216 929 G HA3 -0.254 3.703 3.960 -0.006 0.000 0.216 929 G C 1.576 176.536 174.900 0.100 0.000 1.171 929 G CA 0.870 46.031 45.100 0.103 0.000 0.775 929 G HN 0.412 nan 8.290 nan 0.000 0.543 930 R N -0.909 119.660 120.500 0.114 0.000 2.103 930 R HA -0.138 4.198 4.340 -0.006 0.000 0.242 930 R C 2.174 178.471 176.300 -0.004 0.000 1.142 930 R CA 1.621 57.749 56.100 0.047 0.000 0.960 930 R CB -0.352 29.985 30.300 0.063 0.000 0.858 930 R HN 0.524 nan 8.270 nan 0.000 0.439 931 Y N -1.128 119.220 120.300 0.081 0.000 2.517 931 Y HA -0.030 4.516 4.550 -0.006 0.000 0.281 931 Y C 1.658 177.576 175.900 0.030 0.000 1.125 931 Y CA 0.145 58.280 58.100 0.057 0.000 1.283 931 Y CB 0.301 38.799 38.460 0.062 0.000 1.042 931 Y HN 0.123 nan 8.280 nan 0.000 0.547 932 L N 0.388 121.705 121.223 0.158 0.000 2.168 932 L HA 0.011 4.348 4.340 -0.006 0.000 0.203 932 L C 2.235 179.132 176.870 0.045 0.000 1.078 932 L CA 1.534 56.429 54.840 0.091 0.000 0.780 932 L CB -0.588 41.522 42.059 0.086 0.000 0.939 932 L HN -0.040 nan 8.230 nan 0.000 0.451 933 K N 0.112 120.531 120.400 0.030 0.000 2.059 933 K HA -0.176 4.141 4.320 -0.006 0.000 0.212 933 K C -0.650 175.944 176.600 -0.010 0.000 1.050 933 K CA 2.217 58.506 56.287 0.003 0.000 0.927 933 K CB -1.045 31.450 32.500 -0.009 0.000 0.714 933 K HN 0.343 nan 8.250 nan 0.000 0.447 934 P HA -0.132 nan 4.420 nan 0.000 0.219 934 P C 1.404 178.694 177.300 -0.018 0.000 1.150 934 P CA 1.308 64.391 63.100 -0.028 0.000 0.814 934 P CB -0.063 31.610 31.700 -0.045 0.000 0.787 935 I N -0.725 119.846 120.570 0.001 0.000 2.315 935 I HA -0.180 3.987 4.170 -0.006 0.000 0.248 935 I C 2.585 178.696 176.117 -0.010 0.000 1.117 935 I CA 1.015 62.316 61.300 0.002 0.000 1.404 935 I CB -0.515 37.500 38.000 0.026 0.000 1.071 935 I HN -0.130 nan 8.210 nan 0.000 0.419 936 L N 0.391 121.611 121.223 -0.004 0.000 2.046 936 L HA -0.205 4.132 4.340 -0.006 0.000 0.208 936 L C 2.450 179.306 176.870 -0.025 0.000 1.077 936 L CA 1.538 56.372 54.840 -0.009 0.000 0.747 936 L CB -0.510 41.547 42.059 -0.003 0.000 0.896 936 L HN 0.242 nan 8.230 nan 0.000 0.432 937 E N -0.529 119.655 120.200 -0.027 0.000 2.150 937 E HA -0.220 4.126 4.350 -0.006 0.000 0.193 937 E C 2.224 178.792 176.600 -0.053 0.000 0.985 937 E CA 0.619 56.998 56.400 -0.036 0.000 0.814 937 E CB 0.002 29.683 29.700 -0.031 0.000 0.752 937 E HN 0.323 nan 8.360 nan 0.000 0.466 938 R N 0.987 121.451 120.500 -0.061 0.000 2.055 938 R HA -0.136 4.201 4.340 -0.006 0.000 0.228 938 R C 1.403 177.613 176.300 -0.150 0.000 1.143 938 R CA 1.698 57.743 56.100 -0.092 0.000 0.945 938 R CB 0.050 30.303 30.300 -0.079 0.000 0.841 938 R HN 0.042 nan 8.270 nan 0.000 0.429 939 D N -0.209 120.102 120.400 -0.148 0.000 2.312 939 D HA -0.110 4.527 4.640 -0.006 0.000 0.211 939 D C 1.801 178.015 176.300 -0.143 0.000 0.964 939 D CA 0.695 54.560 54.000 -0.224 0.000 0.877 939 D CB -0.084 40.653 40.800 -0.104 0.000 0.924 939 D HN 0.248 nan 8.370 nan 0.000 0.515 940 R N 0.384 120.836 120.500 -0.080 0.000 2.153 940 R HA 0.059 4.396 4.340 -0.006 0.000 0.218 940 R C 1.887 178.156 176.300 -0.052 0.000 1.072 940 R CA 0.899 56.972 56.100 -0.046 0.000 0.990 940 R CB 0.154 30.434 30.300 -0.034 0.000 0.889 940 R HN 0.055 nan 8.270 nan 0.000 0.452 941 A N 0.774 123.548 122.820 -0.077 0.000 1.903 941 A HA 0.060 4.377 4.320 -0.006 0.000 0.213 941 A C 1.029 178.563 177.584 -0.083 0.000 1.185 941 A CA 0.242 52.241 52.037 -0.065 0.000 0.628 941 A CB -0.154 18.806 19.000 -0.066 0.000 0.830 941 A HN 0.207 nan 8.150 nan 0.000 0.446 945 A N 1.030 123.892 122.820 0.070 0.000 1.930 945 A HA -0.092 4.225 4.320 -0.006 0.000 0.217 945 A C 1.854 179.481 177.584 0.071 0.000 1.175 945 A CA 1.430 53.497 52.037 0.050 0.000 0.627 945 A CB -0.271 18.737 19.000 0.014 0.000 0.815 945 A HN 0.242 nan 8.150 nan 0.000 0.443 946 R N -1.958 118.609 120.500 0.110 0.000 2.075 946 R HA -0.073 4.264 4.340 -0.006 0.000 0.226 946 R C 2.080 178.452 176.300 0.120 0.000 1.114 946 R CA 1.524 57.696 56.100 0.119 0.000 0.972 946 R CB -0.842 29.563 30.300 0.174 0.000 0.869 946 R HN 0.728 nan 8.270 nan 0.000 0.437 947 Y N 2.289 122.610 120.300 0.035 0.000 2.242 947 Y HA -0.136 4.410 4.550 -0.006 0.000 0.291 947 Y C 1.782 177.691 175.900 0.014 0.000 1.137 947 Y CA 1.524 59.637 58.100 0.023 0.000 1.181 947 Y CB -0.012 38.461 38.460 0.023 0.000 0.989 947 Y HN 0.076 nan 8.280 nan 0.000 0.527 948 E N 0.505 120.693 120.200 -0.019 0.000 2.268 948 E HA 0.001 4.348 4.350 -0.006 0.000 0.195 948 E C 0.760 177.287 176.600 -0.121 0.000 0.995 948 E CA 0.388 56.727 56.400 -0.101 0.000 0.836 948 E CB -0.058 29.651 29.700 0.014 0.000 0.763 948 E HN 0.459 nan 8.360 nan 0.000 0.491 949 A N 0.000 122.772 122.820 -0.081 0.000 2.254 949 A HA 0.000 4.317 4.320 -0.006 0.000 0.244 949 A CA 0.000 51.999 52.037 -0.063 0.000 0.836 949 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 949 A HN 0.000 nan 8.150 nan 0.000 0.486