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 3alx_1_B DATA FIRST_RESID 32 DATA SEQUENCE cPKIVQQLGS DVLLPLTHER INTSMNKSIH IVVTMAKSLE NSVENKIVSL DATA SEQUENCE DPSEAGPPRY LKDRYRFYLE HLSLAIYEST KKDEGWYFMT LEKNISVQRF DATA SEQUENCE cLHLKLYEQX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXcSGP TTIRGQFSNM SLSLLDLYLG RGYNVSSIVT MTSQGMYGGT DATA SEQUENCE YLVEKPNLSS KRXXLSQLSM YRVFEVGVIR NPGLGAPVFH MTNYLEQPVS DATA SEQUENCE NDLSNcMVAL GELKLAALcH GEDSITIPYQ GSGKGVSFQL VKLGVWKSPT DATA SEQUENCE DMQSWVPLST DDPVIDRLYL SSHRGVIADN QAKWAVPTTR TDDKLRMETc DATA SEQUENCE FQQAcKGKIQ ALcENPEWAP LKDNRIPSYG VLSVDLSLTV ELKIKIASGF DATA SEQUENCE GPLITHGSGM DLYKSNHNNV YWLTIPPMKN LALGVINTLE WIPRFKVSPY DATA SEQUENCE RFTVPIKEAG GDcHAPTYLP AEVDGDVKLS SNLVILPGQD LQYVLATYDT DATA SEQUENCE SRVEHAVVYY VYSPSRSFSY FYPFRLPIKG VPIELQVEcF TWDQKLWcRH DATA SEQUENCE FCVLADSESG GHITHSGMVG MGVSc 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 32 c HA 0.000 nan 4.570 nan 0.000 0.325 32 c C 0.000 174.102 174.090 0.020 0.000 1.270 32 c CA 0.000 56.383 56.329 0.090 0.000 1.963 32 c CB 0.000 42.644 42.510 0.223 0.000 2.134 33 P HA 0.069 nan 4.420 nan 0.000 0.265 33 P C -0.313 176.910 177.300 -0.127 0.000 1.187 33 P CA 0.300 63.243 63.100 -0.261 0.000 0.766 33 P CB 0.637 31.793 31.700 -0.907 0.000 0.820 34 K N 4.816 125.192 120.400 -0.041 0.000 2.299 34 K HA 0.259 4.579 4.320 0.001 0.000 0.268 34 K C -0.422 176.157 176.600 -0.035 0.000 1.075 34 K CA -0.584 55.719 56.287 0.026 0.000 0.936 34 K CB -0.090 32.487 32.500 0.129 0.000 1.228 34 K HN 0.502 nan 8.250 nan 0.000 0.454 35 I N 2.257 122.777 120.570 -0.082 0.000 2.336 35 I HA 0.346 4.517 4.170 0.001 0.000 0.292 35 I C -0.482 175.578 176.117 -0.094 0.000 0.991 35 I CA -0.853 60.418 61.300 -0.047 0.000 1.227 35 I CB 1.669 39.666 38.000 -0.005 0.000 1.366 35 I HN 0.140 nan 8.210 nan 0.000 0.466 36 V N 6.410 126.302 119.914 -0.036 0.000 2.834 36 V HA 0.638 4.759 4.120 0.001 0.000 0.313 36 V C -0.483 175.667 176.094 0.092 0.000 1.060 36 V CA -0.028 62.276 62.300 0.008 0.000 0.989 36 V CB 1.680 33.514 31.823 0.019 0.000 1.041 36 V HN 0.944 nan 8.190 nan 0.000 0.459 37 Q N 2.469 122.374 119.800 0.175 0.000 2.527 37 Q HA 0.300 4.640 4.340 0.001 0.000 0.280 37 Q C -1.437 174.479 176.000 -0.139 0.000 0.977 37 Q CA -0.749 55.140 55.803 0.143 0.000 0.837 37 Q CB 1.675 30.403 28.738 -0.017 0.000 1.454 37 Q HN 0.713 nan 8.270 nan 0.000 0.387 38 Q N 1.602 121.201 119.800 -0.334 0.000 2.339 38 Q HA -0.016 4.325 4.340 0.001 0.000 0.308 38 Q C -0.262 175.470 176.000 -0.447 0.000 1.097 38 Q CA 0.213 55.585 55.803 -0.718 0.000 1.007 38 Q CB 0.038 28.586 28.738 -0.317 0.000 1.051 38 Q HN 0.488 nan 8.270 nan 0.000 0.381 39 L N 2.826 123.763 121.223 -0.478 0.000 2.485 39 L HA 0.151 4.491 4.340 0.001 0.000 0.275 39 L C 1.411 178.179 176.870 -0.171 0.000 1.207 39 L CA 2.085 56.779 54.840 -0.244 0.000 0.855 39 L CB 0.441 42.389 42.059 -0.185 0.000 1.114 39 L HN 0.891 nan 8.230 nan 0.000 0.485 40 G N 1.969 110.701 108.800 -0.112 0.000 2.363 40 G HA2 -0.340 3.620 3.960 0.001 0.000 0.238 40 G HA3 -0.340 3.620 3.960 0.001 0.000 0.238 40 G C 0.465 175.325 174.900 -0.066 0.000 1.062 40 G CA 0.567 45.621 45.100 -0.077 0.000 0.629 40 G HN 1.167 nan 8.290 nan 0.000 0.514 41 S N 0.830 116.477 115.700 -0.087 0.000 2.598 41 S HA 0.416 4.886 4.470 0.001 0.000 0.256 41 S C -0.264 174.315 174.600 -0.036 0.000 1.350 41 S CA 0.438 58.603 58.200 -0.059 0.000 0.984 41 S CB 0.866 64.019 63.200 -0.078 0.000 0.930 41 S HN 0.266 nan 8.310 nan 0.000 0.577 42 D N 1.729 122.130 120.400 0.001 0.000 2.441 42 D HA 0.330 4.970 4.640 0.001 0.000 0.221 42 D C 0.171 176.444 176.300 -0.045 0.000 1.156 42 D CA -0.346 53.668 54.000 0.024 0.000 0.896 42 D CB 0.621 41.525 40.800 0.173 0.000 1.028 42 D HN 0.580 nan 8.370 nan 0.000 0.509 43 V N 0.536 120.393 119.914 -0.095 0.000 2.637 43 V HA 0.350 4.471 4.120 0.001 0.000 0.296 43 V C -0.075 175.947 176.094 -0.120 0.000 1.046 43 V CA -0.727 61.510 62.300 -0.106 0.000 1.066 43 V CB 1.130 32.873 31.823 -0.133 0.000 0.968 43 V HN 0.261 nan 8.190 nan 0.000 0.483 44 L N 6.932 128.098 121.223 -0.095 0.000 2.343 44 L HA 0.742 5.082 4.340 0.001 0.000 0.278 44 L C -0.668 176.152 176.870 -0.083 0.000 0.996 44 L CA -0.394 54.393 54.840 -0.089 0.000 0.831 44 L CB 1.312 43.318 42.059 -0.089 0.000 1.232 44 L HN 0.835 nan 8.230 nan 0.000 0.413 45 L N 4.032 125.209 121.223 -0.076 0.000 2.404 45 L HA 0.714 5.055 4.340 0.001 0.000 0.272 45 L C -2.537 174.321 176.870 -0.019 0.000 0.980 45 L CA -1.908 52.896 54.840 -0.059 0.000 0.836 45 L CB 1.410 43.403 42.059 -0.111 0.000 1.238 45 L HN 0.365 nan 8.230 nan 0.000 0.408 46 P HA 0.206 nan 4.420 nan 0.000 0.269 46 P C 0.899 178.228 177.300 0.048 0.000 1.252 46 P CA -0.076 63.016 63.100 -0.013 0.000 0.780 46 P CB 0.899 32.569 31.700 -0.050 0.000 0.829 47 L N 1.310 122.566 121.223 0.055 0.000 2.129 47 L HA -0.136 4.205 4.340 0.001 0.000 0.212 47 L C 1.463 178.395 176.870 0.105 0.000 1.087 47 L CA 1.482 56.386 54.840 0.107 0.000 0.757 47 L CB -0.663 41.488 42.059 0.153 0.000 0.896 47 L HN 0.378 nan 8.230 nan 0.000 0.434 48 T N -2.048 112.481 114.554 -0.041 0.000 2.780 48 T HA 0.033 4.383 4.350 0.001 0.000 0.294 48 T C 0.399 175.187 174.700 0.148 0.000 0.949 48 T CA -0.485 61.594 62.100 -0.034 0.000 1.074 48 T CB 0.604 69.322 68.868 -0.250 0.000 0.910 48 T HN 0.143 nan 8.240 nan 0.000 0.501 49 H N 3.718 122.869 119.070 0.135 0.000 3.663 49 H HA 0.357 4.914 4.556 0.001 0.000 0.250 49 H C 0.162 175.512 175.328 0.037 0.000 1.363 49 H CA 0.229 56.321 56.048 0.073 0.000 1.259 49 H CB -0.428 29.386 29.762 0.086 0.000 1.435 49 H HN 0.704 nan 8.280 nan 0.000 0.692 50 E N -0.303 119.873 120.200 -0.041 0.000 2.275 50 E HA 0.216 4.567 4.350 0.001 0.000 0.270 50 E C 0.504 177.031 176.600 -0.122 0.000 0.882 50 E CA -0.695 55.647 56.400 -0.097 0.000 0.758 50 E CB 1.185 30.865 29.700 -0.033 0.000 1.195 50 E HN 0.241 nan 8.360 nan 0.000 0.419 51 R N 3.924 124.333 120.500 -0.153 0.000 2.112 51 R HA 0.212 4.552 4.340 0.001 0.000 0.216 51 R C 1.608 177.795 176.300 -0.188 0.000 1.080 51 R CA 0.888 56.883 56.100 -0.174 0.000 0.996 51 R CB -0.254 29.942 30.300 -0.172 0.000 0.902 51 R HN 0.793 nan 8.270 nan 0.000 0.449 52 I N 1.499 121.983 120.570 -0.143 0.000 2.874 52 I HA -0.252 3.919 4.170 0.001 0.000 0.271 52 I C -0.470 175.575 176.117 -0.121 0.000 1.263 52 I CA 0.619 61.844 61.300 -0.124 0.000 1.443 52 I CB -0.365 37.586 38.000 -0.081 0.000 1.100 52 I HN 0.233 nan 8.210 nan 0.000 0.480 53 N N 0.241 118.864 118.700 -0.128 0.000 2.452 53 N HA 0.083 4.823 4.740 0.001 0.000 0.266 53 N C 0.357 175.811 175.510 -0.093 0.000 1.175 53 N CA 0.528 53.525 53.050 -0.089 0.000 0.945 53 N CB 0.864 39.306 38.487 -0.075 0.000 1.063 53 N HN -0.002 nan 8.380 nan 0.000 0.472 54 T N -1.887 112.662 114.554 -0.007 0.000 3.259 54 T HA 0.045 4.396 4.350 0.001 0.000 0.287 54 T C 0.326 175.071 174.700 0.075 0.000 0.874 54 T CA -0.405 61.760 62.100 0.107 0.000 0.878 54 T CB 0.113 69.003 68.868 0.037 0.000 1.223 54 T HN 0.379 nan 8.240 nan 0.000 0.630 55 S N 4.103 119.821 115.700 0.030 0.000 2.519 55 S HA 0.229 4.700 4.470 0.001 0.000 0.310 55 S C 0.535 175.150 174.600 0.025 0.000 1.201 55 S CA -0.416 57.796 58.200 0.021 0.000 1.179 55 S CB -0.712 62.493 63.200 0.009 0.000 1.104 55 S HN 0.462 nan 8.310 nan 0.000 0.527 56 M N 4.251 123.867 119.600 0.027 0.000 2.480 56 M HA 0.443 4.924 4.480 0.001 0.000 0.320 56 M C -0.488 175.824 176.300 0.020 0.000 1.141 56 M CA -0.909 54.405 55.300 0.024 0.000 1.102 56 M CB -0.100 32.512 32.600 0.021 0.000 1.249 56 M HN 0.533 nan 8.290 nan 0.000 0.446 57 N N 0.823 119.534 118.700 0.019 0.000 3.061 57 N HA 0.551 5.291 4.740 0.001 0.000 0.346 57 N C -1.006 174.515 175.510 0.017 0.000 1.392 57 N CA -1.025 52.035 53.050 0.015 0.000 0.762 57 N CB 0.568 39.063 38.487 0.013 0.000 1.367 57 N HN 0.263 nan 8.380 nan 0.000 0.607 58 K N -0.943 119.465 120.400 0.013 0.000 2.350 58 K HA 0.344 4.665 4.320 0.001 0.000 0.279 58 K C -0.459 176.151 176.600 0.017 0.000 1.027 58 K CA 0.210 56.504 56.287 0.013 0.000 0.969 58 K CB 0.420 32.924 32.500 0.007 0.000 0.954 58 K HN 0.642 nan 8.250 nan 0.000 0.474 59 S N 4.245 119.958 115.700 0.021 0.000 2.779 59 S HA 0.186 4.657 4.470 0.001 0.000 0.235 59 S C 0.832 175.452 174.600 0.033 0.000 0.764 59 S CA -0.045 58.172 58.200 0.028 0.000 1.050 59 S CB -0.980 62.243 63.200 0.038 0.000 1.485 59 S HN 0.727 nan 8.310 nan 0.000 0.485 60 I N 1.175 121.761 120.570 0.026 0.000 4.792 60 I HA -0.373 3.797 4.170 0.001 0.000 0.050 60 I C 0.794 176.958 176.117 0.078 0.000 0.633 60 I CA 2.242 63.566 61.300 0.039 0.000 0.487 60 I CB -0.811 37.206 38.000 0.029 0.000 0.488 60 I HN 0.635 nan 8.210 nan 0.000 0.159 61 H N 1.063 120.118 119.070 -0.026 0.000 2.609 61 H HA 0.585 5.142 4.556 0.001 0.000 0.344 61 H C -1.223 174.094 175.328 -0.018 0.000 1.040 61 H CA -0.725 55.306 56.048 -0.028 0.000 1.216 61 H CB 1.281 31.023 29.762 -0.033 0.000 1.529 61 H HN 0.099 nan 8.280 nan 0.000 0.519 62 I N 5.616 126.091 120.570 -0.157 0.000 2.377 62 I HA 0.233 4.404 4.170 0.001 0.000 0.293 62 I C -0.331 175.690 176.117 -0.161 0.000 0.987 62 I CA -0.556 60.690 61.300 -0.090 0.000 1.185 62 I CB 1.663 39.586 38.000 -0.128 0.000 1.341 62 I HN 0.233 nan 8.210 nan 0.000 0.455 63 V N 6.402 126.341 119.914 0.042 0.000 2.656 63 V HA 0.571 4.692 4.120 0.001 0.000 0.307 63 V C -0.505 175.631 176.094 0.069 0.000 1.051 63 V CA -0.820 61.520 62.300 0.067 0.000 0.893 63 V CB 2.138 34.167 31.823 0.343 0.000 0.999 63 V HN 0.351 nan 8.190 nan 0.000 0.426 64 V N 3.764 123.653 119.914 -0.042 0.000 2.409 64 V HA 0.667 4.788 4.120 0.001 0.000 0.291 64 V C 0.353 176.489 176.094 0.070 0.000 1.020 64 V CA -0.205 62.120 62.300 0.042 0.000 0.848 64 V CB 1.824 33.616 31.823 -0.052 0.000 0.990 64 V HN 1.099 nan 8.190 nan 0.000 0.430 65 T N 2.202 116.884 114.554 0.214 0.000 2.927 65 T HA 0.850 5.201 4.350 0.001 0.000 0.286 65 T C -0.588 174.234 174.700 0.205 0.000 1.040 65 T CA -0.868 61.340 62.100 0.180 0.000 1.010 65 T CB 2.353 71.369 68.868 0.247 0.000 1.177 65 T HN 0.508 nan 8.240 nan 0.000 0.546 66 M N 1.379 121.047 119.600 0.113 0.000 2.294 66 M HA 0.571 5.052 4.480 0.001 0.000 0.280 66 M C -2.101 174.269 176.300 0.116 0.000 1.085 66 M CA -0.512 54.770 55.300 -0.031 0.000 0.969 66 M CB 1.603 33.882 32.600 -0.534 0.000 1.770 66 M HN 1.118 nan 8.290 nan 0.000 0.485 67 A N 4.672 127.686 122.820 0.324 0.000 2.304 67 A HA 0.577 4.897 4.320 0.001 0.000 0.323 67 A C 0.692 178.491 177.584 0.358 0.000 1.195 67 A CA -0.525 51.714 52.037 0.335 0.000 0.826 67 A CB 1.181 20.435 19.000 0.424 0.000 1.184 67 A HN 0.933 nan 8.150 nan 0.000 0.496 68 K N 0.868 121.430 120.400 0.269 0.000 1.978 68 K HA -0.068 4.253 4.320 0.001 0.000 0.214 68 K C 0.979 177.849 176.600 0.451 0.000 1.049 68 K CA 1.835 58.290 56.287 0.279 0.000 0.939 68 K CB -0.157 32.462 32.500 0.199 0.000 0.721 68 K HN 0.698 nan 8.250 nan 0.000 0.441 69 S N -0.589 115.350 115.700 0.398 0.000 2.536 69 S HA 0.278 4.748 4.470 0.001 0.000 0.298 69 S C 0.473 175.162 174.600 0.149 0.000 1.083 69 S CA -0.679 57.780 58.200 0.433 0.000 0.995 69 S CB 1.360 64.715 63.200 0.258 0.000 1.058 69 S HN 0.094 nan 8.310 nan 0.000 0.488 70 L N 2.383 123.428 121.223 -0.295 0.000 2.395 70 L HA 0.335 4.676 4.340 0.001 0.000 0.218 70 L C 1.079 177.855 176.870 -0.157 0.000 1.130 70 L CA 1.079 55.651 54.840 -0.448 0.000 0.826 70 L CB -0.318 41.138 42.059 -1.005 0.000 0.941 70 L HN 0.737 nan 8.230 nan 0.000 0.451 71 E N 1.016 121.171 120.200 -0.075 0.000 2.089 71 E HA -0.020 4.331 4.350 0.001 0.000 0.284 71 E C -0.259 176.337 176.600 -0.006 0.000 1.023 71 E CA -0.123 56.259 56.400 -0.030 0.000 0.819 71 E CB 0.063 29.755 29.700 -0.014 0.000 1.076 71 E HN 0.244 nan 8.360 nan 0.000 0.396 72 N N 3.296 121.982 118.700 -0.022 0.000 2.746 72 N HA -0.206 4.535 4.740 0.001 0.000 0.250 72 N C -0.035 175.536 175.510 0.101 0.000 1.055 72 N CA 0.882 53.890 53.050 -0.070 0.000 0.699 72 N CB -1.147 37.238 38.487 -0.170 0.000 0.919 72 N HN 0.605 nan 8.380 nan 0.000 0.548 73 S N -0.954 114.861 115.700 0.192 0.000 2.612 73 S HA 0.308 4.779 4.470 0.001 0.000 0.236 73 S C 1.255 176.030 174.600 0.293 0.000 1.395 73 S CA 1.743 60.086 58.200 0.239 0.000 1.010 73 S CB 0.873 64.223 63.200 0.251 0.000 0.829 73 S HN 1.069 nan 8.310 nan 0.000 0.491 74 V N -1.053 119.025 119.914 0.274 0.000 6.013 74 V HA 0.243 4.363 4.120 0.001 0.000 0.097 74 V C -1.085 175.100 176.094 0.152 0.000 1.090 74 V CA 1.146 63.552 62.300 0.178 0.000 0.655 74 V CB -1.591 30.305 31.823 0.122 0.000 0.833 74 V HN 1.447 nan 8.190 nan 0.000 0.713 75 E N 1.982 122.261 120.200 0.133 0.000 7.230 75 E HA -0.115 4.235 4.350 0.001 0.000 0.212 75 E C -1.200 175.407 176.600 0.011 0.000 0.998 75 E CA 0.723 57.180 56.400 0.095 0.000 1.594 75 E CB -1.220 28.509 29.700 0.049 0.000 0.917 75 E HN 0.737 nan 8.360 nan 0.000 0.275 76 N N 3.813 122.517 118.700 0.006 0.000 2.430 76 N HA 0.290 5.031 4.740 0.001 0.000 0.298 76 N C -0.518 174.950 175.510 -0.069 0.000 1.130 76 N CA -0.736 52.284 53.050 -0.050 0.000 0.894 76 N CB 1.467 39.929 38.487 -0.041 0.000 1.209 76 N HN 0.365 nan 8.380 nan 0.000 0.503 77 K N 1.548 121.888 120.400 -0.100 0.000 2.297 77 K HA 0.206 4.526 4.320 0.001 0.000 0.286 77 K C 0.705 177.213 176.600 -0.152 0.000 1.053 77 K CA -0.386 55.833 56.287 -0.114 0.000 0.940 77 K CB 0.590 33.018 32.500 -0.120 0.000 1.019 77 K HN 0.396 nan 8.250 nan 0.000 0.475 78 I N 3.251 123.701 120.570 -0.199 0.000 2.628 78 I HA 0.045 4.216 4.170 0.001 0.000 0.255 78 I C 0.489 176.455 176.117 -0.252 0.000 1.119 78 I CA 0.687 61.787 61.300 -0.334 0.000 1.448 78 I CB 0.296 38.037 38.000 -0.432 0.000 1.133 78 I HN 0.401 nan 8.210 nan 0.000 0.438 79 V N -0.761 118.985 119.914 -0.280 0.000 2.971 79 V HA 0.389 4.510 4.120 0.001 0.000 0.281 79 V C -1.286 174.581 176.094 -0.379 0.000 1.470 79 V CA -0.410 61.645 62.300 -0.409 0.000 0.966 79 V CB 2.131 33.472 31.823 -0.804 0.000 1.156 79 V HN 0.144 nan 8.190 nan 0.000 0.441 80 S N 4.771 120.273 115.700 -0.331 0.000 2.578 80 S HA 1.037 5.508 4.470 0.001 0.000 0.301 80 S C -1.007 173.351 174.600 -0.402 0.000 1.091 80 S CA -0.214 57.808 58.200 -0.297 0.000 1.032 80 S CB 1.482 64.606 63.200 -0.127 0.000 1.064 80 S HN 1.760 nan 8.310 nan 0.000 0.508 81 L N 1.136 122.035 121.223 -0.540 0.000 2.866 81 L HA 0.748 5.089 4.340 0.001 0.000 0.262 81 L C -1.904 174.705 176.870 -0.434 0.000 0.986 81 L CA -0.764 53.821 54.840 -0.426 0.000 0.925 81 L CB 1.688 43.532 42.059 -0.358 0.000 1.484 81 L HN 0.500 nan 8.230 nan 0.000 0.414 82 D N 1.948 122.204 120.400 -0.239 0.000 2.492 82 D HA 0.572 5.213 4.640 0.001 0.000 0.248 82 D C -2.084 174.175 176.300 -0.068 0.000 1.101 82 D CA -2.057 51.859 54.000 -0.140 0.000 0.840 82 D CB 2.343 43.099 40.800 -0.074 0.000 1.209 82 D HN 0.573 nan 8.370 nan 0.000 0.524 83 P HA 0.028 nan 4.420 nan 0.000 0.259 83 P C 0.073 177.372 177.300 -0.002 0.000 1.307 83 P CA 0.165 63.263 63.100 -0.004 0.000 0.768 83 P CB 0.206 31.914 31.700 0.013 0.000 1.199 84 S N -1.063 114.632 115.700 -0.009 0.000 2.554 84 S HA 0.143 4.614 4.470 0.001 0.000 0.226 84 S C 0.452 175.049 174.600 -0.004 0.000 0.980 84 S CA -0.056 58.142 58.200 -0.004 0.000 0.939 84 S CB 0.290 63.489 63.200 -0.003 0.000 0.832 84 S HN 0.167 nan 8.310 nan 0.000 0.486 85 E N 0.343 120.538 120.200 -0.007 0.000 2.288 85 E HA 0.741 5.092 4.350 0.001 0.000 0.268 85 E C 0.126 176.727 176.600 0.001 0.000 0.885 85 E CA -0.362 56.035 56.400 -0.005 0.000 0.767 85 E CB 1.438 31.131 29.700 -0.010 0.000 1.220 85 E HN -0.019 nan 8.360 nan 0.000 0.427 86 A N 2.832 125.655 122.820 0.005 0.000 2.095 86 A HA 0.310 4.631 4.320 0.001 0.000 0.212 86 A C 1.173 178.765 177.584 0.013 0.000 1.162 86 A CA 0.547 52.590 52.037 0.009 0.000 0.753 86 A CB -0.403 18.602 19.000 0.009 0.000 0.840 86 A HN 0.547 nan 8.150 nan 0.000 0.468 87 G N 2.405 111.211 108.800 0.011 0.000 2.272 87 G HA2 0.398 4.358 3.960 0.001 0.000 0.247 87 G HA3 0.398 4.358 3.960 0.001 0.000 0.247 87 G C -1.916 172.999 174.900 0.025 0.000 1.272 87 G CA -0.507 44.603 45.100 0.016 0.000 0.921 87 G HN 0.313 nan 8.290 nan 0.000 0.495 88 P HA 0.085 nan 4.420 nan 0.000 0.266 88 P C -2.038 175.309 177.300 0.079 0.000 1.193 88 P CA -0.692 62.454 63.100 0.076 0.000 0.770 88 P CB 0.235 31.989 31.700 0.089 0.000 0.836 89 P HA 0.115 nan 4.420 nan 0.000 0.272 89 P C -0.327 176.997 177.300 0.041 0.000 1.230 89 P CA -0.227 62.847 63.100 -0.044 0.000 0.788 89 P CB 0.616 32.166 31.700 -0.251 0.000 0.949 90 R N 1.329 121.801 120.500 -0.047 0.000 2.230 90 R HA 0.404 4.745 4.340 0.001 0.000 0.337 90 R C -0.558 175.748 176.300 0.011 0.000 1.063 90 R CA -0.655 55.473 56.100 0.048 0.000 0.935 90 R CB -0.293 30.012 30.300 0.009 0.000 1.121 90 R HN 0.371 nan 8.270 nan 0.000 0.486 91 Y N 2.243 122.537 120.300 -0.010 0.000 2.316 91 Y HA 0.197 4.747 4.550 0.001 0.000 0.324 91 Y C 1.256 177.155 175.900 -0.001 0.000 1.267 91 Y CA -1.178 56.918 58.100 -0.007 0.000 1.311 91 Y CB 1.412 39.907 38.460 0.060 0.000 1.267 91 Y HN 0.395 nan 8.280 nan 0.000 0.516 92 L N 1.112 122.417 121.223 0.136 0.000 2.872 92 L HA 0.276 4.617 4.340 0.001 0.000 0.245 92 L C 0.735 177.680 176.870 0.126 0.000 1.211 92 L CA -0.514 54.372 54.840 0.077 0.000 1.013 92 L CB -0.582 41.478 42.059 0.003 0.000 1.326 92 L HN 0.560 nan 8.230 nan 0.000 0.525 93 K N 0.813 121.357 120.400 0.240 0.000 2.717 93 K HA -0.109 4.212 4.320 0.001 0.000 0.303 93 K C 0.727 177.495 176.600 0.280 0.000 1.081 93 K CA 1.380 57.900 56.287 0.387 0.000 0.904 93 K CB 0.171 32.951 32.500 0.467 0.000 0.908 93 K HN 0.081 nan 8.250 nan 0.000 0.536 94 D N -3.018 117.529 120.400 0.244 0.000 1.274 94 D HA -0.036 4.605 4.640 0.001 0.000 0.860 94 D C 0.700 177.024 176.300 0.040 0.000 0.364 94 D CA 0.138 54.206 54.000 0.114 0.000 1.382 94 D CB -0.098 40.771 40.800 0.116 0.000 0.968 94 D HN 0.536 nan 8.370 nan 0.000 0.390 95 R N -0.396 120.077 120.500 -0.045 0.000 2.549 95 R HA 0.247 4.588 4.340 0.001 0.000 0.361 95 R C -0.321 175.797 176.300 -0.304 0.000 0.969 95 R CA -0.330 55.669 56.100 -0.168 0.000 1.158 95 R CB 0.926 31.069 30.300 -0.261 0.000 1.456 95 R HN 0.017 nan 8.270 nan 0.000 0.540 96 Y N 1.042 121.358 120.300 0.026 0.000 2.316 96 Y HA 0.454 5.005 4.550 0.001 0.000 0.324 96 Y C 0.463 176.242 175.900 -0.202 0.000 1.267 96 Y CA -0.632 57.475 58.100 0.012 0.000 1.311 96 Y CB 0.702 39.321 38.460 0.264 0.000 1.267 96 Y HN -0.183 nan 8.280 nan 0.000 0.516 97 R N 1.557 122.142 120.500 0.142 0.000 2.561 97 R HA 0.474 4.814 4.340 0.001 0.000 0.266 97 R C -2.516 173.951 176.300 0.278 0.000 1.091 97 R CA -0.894 55.241 56.100 0.058 0.000 0.927 97 R CB 0.649 30.922 30.300 -0.045 0.000 1.240 97 R HN 0.568 nan 8.270 nan 0.000 0.449 98 F N 3.583 123.584 119.950 0.085 0.000 2.579 98 F HA 0.638 5.166 4.527 0.001 0.000 0.324 98 F C -1.437 174.141 175.800 -0.370 0.000 1.058 98 F CA -0.760 57.223 58.000 -0.029 0.000 0.944 98 F CB 1.680 40.691 39.000 0.018 0.000 1.245 98 F HN 0.543 nan 8.300 nan 0.000 0.477 99 Y N 6.274 126.137 120.300 -0.727 0.000 2.402 99 Y HA 0.257 4.808 4.550 0.001 0.000 0.325 99 Y C 0.573 176.084 175.900 -0.648 0.000 1.009 99 Y CA -0.808 57.003 58.100 -0.482 0.000 1.278 99 Y CB 1.310 39.536 38.460 -0.391 0.000 1.105 99 Y HN 0.519 nan 8.280 nan 0.000 0.476 100 L N 2.932 124.068 121.223 -0.146 0.000 2.127 100 L HA -0.182 4.159 4.340 0.001 0.000 0.211 100 L C 2.024 178.868 176.870 -0.043 0.000 1.089 100 L CA 2.104 56.957 54.840 0.021 0.000 0.757 100 L CB -0.258 41.871 42.059 0.116 0.000 0.899 100 L HN 0.778 nan 8.230 nan 0.000 0.434 101 E N -0.752 119.391 120.200 -0.094 0.000 2.077 101 E HA -0.259 4.091 4.350 0.001 0.000 0.193 101 E C 1.359 177.987 176.600 0.046 0.000 0.989 101 E CA 1.820 58.169 56.400 -0.086 0.000 0.800 101 E CB -0.766 28.783 29.700 -0.251 0.000 0.746 101 E HN 0.718 nan 8.360 nan 0.000 0.452 102 H N 0.383 119.390 119.070 -0.106 0.000 2.755 102 H HA 0.375 4.932 4.556 0.001 0.000 0.273 102 H C 0.324 175.541 175.328 -0.185 0.000 1.055 102 H CA -0.283 55.680 56.048 -0.141 0.000 1.191 102 H CB 0.612 30.270 29.762 -0.173 0.000 1.536 102 H HN -0.093 nan 8.280 nan 0.000 0.529 103 L N 2.443 123.576 121.223 -0.150 0.000 3.737 103 L HA -0.224 4.117 4.340 0.001 0.000 0.418 103 L C -0.260 176.471 176.870 -0.231 0.000 1.216 103 L CA 0.424 55.132 54.840 -0.220 0.000 0.915 103 L CB -1.876 40.129 42.059 -0.090 0.000 1.834 103 L HN 0.335 nan 8.230 nan 0.000 0.943 104 S N -0.265 115.251 115.700 -0.307 0.000 2.501 104 S HA 0.801 5.271 4.470 0.001 0.000 0.301 104 S C -0.592 173.986 174.600 -0.037 0.000 1.096 104 S CA -0.960 57.171 58.200 -0.115 0.000 1.063 104 S CB 3.112 66.269 63.200 -0.072 0.000 1.042 104 S HN 0.266 nan 8.310 nan 0.000 0.494 105 L N 2.322 123.619 121.223 0.124 0.000 2.329 105 L HA 0.864 5.204 4.340 0.001 0.000 0.279 105 L C -0.375 176.581 176.870 0.143 0.000 1.014 105 L CA -0.465 54.534 54.840 0.266 0.000 0.814 105 L CB 1.570 43.860 42.059 0.385 0.000 1.257 105 L HN 1.005 nan 8.230 nan 0.000 0.424 106 A N 5.967 128.858 122.820 0.117 0.000 2.330 106 A HA 0.774 5.094 4.320 0.001 0.000 0.327 106 A C -0.821 176.556 177.584 -0.345 0.000 1.155 106 A CA -0.487 51.467 52.037 -0.139 0.000 0.803 106 A CB 0.721 19.612 19.000 -0.182 0.000 1.208 106 A HN 0.682 nan 8.150 nan 0.000 0.477 107 I N 3.095 123.438 120.570 -0.377 0.000 2.437 107 I HA 0.220 4.391 4.170 0.001 0.000 0.279 107 I C -1.143 174.766 176.117 -0.346 0.000 1.028 107 I CA -0.445 60.617 61.300 -0.396 0.000 1.142 107 I CB 0.706 38.562 38.000 -0.239 0.000 1.266 107 I HN 0.584 nan 8.210 nan 0.000 0.461 108 Y N 4.073 124.296 120.300 -0.129 0.000 2.411 108 Y HA 0.053 4.604 4.550 0.001 0.000 0.333 108 Y C 1.153 176.989 175.900 -0.107 0.000 1.186 108 Y CA -0.698 57.343 58.100 -0.097 0.000 1.381 108 Y CB 0.139 38.546 38.460 -0.088 0.000 1.273 108 Y HN 0.531 nan 8.280 nan 0.000 0.546 109 E N -0.203 120.052 120.200 0.092 0.000 2.228 109 E HA -0.214 4.137 4.350 0.001 0.000 0.213 109 E C -0.329 176.257 176.600 -0.022 0.000 1.282 109 E CA 0.354 56.764 56.400 0.017 0.000 0.707 109 E CB -1.202 28.505 29.700 0.012 0.000 1.150 109 E HN 0.638 nan 8.360 nan 0.000 0.362 110 S N -0.167 115.506 115.700 -0.044 0.000 2.559 110 S HA 0.245 4.715 4.470 0.001 0.000 0.282 110 S C 0.510 175.083 174.600 -0.044 0.000 1.336 110 S CA 0.204 58.368 58.200 -0.059 0.000 1.037 110 S CB 1.398 64.550 63.200 -0.080 0.000 0.853 110 S HN 0.432 nan 8.310 nan 0.000 0.523 111 T N -1.720 112.817 114.554 -0.028 0.000 2.865 111 T HA 0.499 4.849 4.350 0.001 0.000 0.294 111 T C 0.337 175.035 174.700 -0.004 0.000 1.119 111 T CA -1.128 60.963 62.100 -0.015 0.000 1.007 111 T CB 1.443 70.311 68.868 0.001 0.000 1.225 111 T HN 0.514 nan 8.240 nan 0.000 0.515 112 K N 0.070 120.471 120.400 0.001 0.000 2.442 112 K HA 0.009 4.330 4.320 0.001 0.000 0.199 112 K C 1.397 178.019 176.600 0.036 0.000 1.044 112 K CA 0.840 57.133 56.287 0.011 0.000 0.941 112 K CB -0.001 32.508 32.500 0.015 0.000 0.759 112 K HN 0.318 nan 8.250 nan 0.000 0.472 113 K N 0.451 120.879 120.400 0.046 0.000 2.487 113 K HA -0.012 4.308 4.320 0.001 0.000 0.192 113 K C 0.328 176.991 176.600 0.104 0.000 1.027 113 K CA 0.616 56.947 56.287 0.073 0.000 1.054 113 K CB 0.388 32.929 32.500 0.069 0.000 0.824 113 K HN 0.198 nan 8.250 nan 0.000 0.510 114 D N 1.203 121.663 120.400 0.099 0.000 2.360 114 D HA -0.001 4.640 4.640 0.001 0.000 0.210 114 D C -0.085 176.334 176.300 0.200 0.000 1.047 114 D CA 0.174 54.278 54.000 0.174 0.000 0.854 114 D CB 0.445 41.318 40.800 0.121 0.000 0.936 114 D HN 0.303 nan 8.370 nan 0.000 0.514 115 E N 0.591 120.845 120.200 0.091 0.000 2.392 115 E HA 0.402 4.752 4.350 0.001 0.000 0.264 115 E C 0.719 177.363 176.600 0.073 0.000 1.024 115 E CA -0.015 56.395 56.400 0.016 0.000 0.903 115 E CB 1.039 30.722 29.700 -0.028 0.000 0.963 115 E HN 0.130 nan 8.360 nan 0.000 0.432 116 G N 1.840 110.621 108.800 -0.031 0.000 2.350 116 G HA2 -0.022 3.939 3.960 0.001 0.000 0.282 116 G HA3 -0.022 3.939 3.960 0.001 0.000 0.282 116 G C -1.818 173.052 174.900 -0.050 0.000 1.314 116 G CA -1.030 44.062 45.100 -0.013 0.000 0.915 116 G HN 0.399 nan 8.290 nan 0.000 0.499 117 W N 0.547 121.992 121.300 0.242 0.000 2.361 117 W HA 0.590 5.250 4.660 0.001 0.000 0.309 117 W C -1.045 175.322 176.519 -0.254 0.000 1.122 117 W CA -0.410 56.964 57.345 0.050 0.000 1.208 117 W CB 1.275 30.733 29.460 -0.003 0.000 1.246 117 W HN 0.330 nan 8.180 nan 0.000 0.490 118 Y N 2.595 122.731 120.300 -0.274 0.000 2.341 118 Y HA 0.404 4.954 4.550 0.001 0.000 0.337 118 Y C -0.297 175.329 175.900 -0.456 0.000 1.014 118 Y CA -0.814 57.171 58.100 -0.190 0.000 1.111 118 Y CB 0.926 39.376 38.460 -0.018 0.000 1.194 118 Y HN 0.110 nan 8.280 nan 0.000 0.462 119 F N 2.929 123.065 119.950 0.309 0.000 2.561 119 F HA 0.629 5.157 4.527 0.001 0.000 0.321 119 F C -0.215 175.744 175.800 0.265 0.000 1.065 119 F CA -1.134 57.036 58.000 0.283 0.000 0.934 119 F CB 1.986 41.131 39.000 0.242 0.000 1.215 119 F HN 0.240 nan 8.300 nan 0.000 0.471 120 M N 2.296 122.163 119.600 0.445 0.000 2.124 120 M HA 0.407 4.887 4.480 0.001 0.000 0.280 120 M C -1.666 174.832 176.300 0.329 0.000 0.954 120 M CA -0.089 55.408 55.300 0.329 0.000 0.958 120 M CB 1.374 34.134 32.600 0.267 0.000 1.611 120 M HN 0.653 nan 8.290 nan 0.000 0.449 121 T N 5.753 120.456 114.554 0.249 0.000 2.795 121 T HA 0.564 4.915 4.350 0.001 0.000 0.282 121 T C -0.447 174.337 174.700 0.139 0.000 0.980 121 T CA -0.416 61.768 62.100 0.140 0.000 1.012 121 T CB 0.863 69.685 68.868 -0.077 0.000 0.936 121 T HN 0.585 nan 8.240 nan 0.000 0.457 122 L N 3.662 124.965 121.223 0.132 0.000 2.287 122 L HA 0.492 4.832 4.340 0.001 0.000 0.287 122 L C 0.331 177.234 176.870 0.055 0.000 1.022 122 L CA -0.688 54.218 54.840 0.109 0.000 0.814 122 L CB 1.341 43.484 42.059 0.140 0.000 1.217 122 L HN 0.574 nan 8.230 nan 0.000 0.420 123 E N 3.250 123.480 120.200 0.051 0.000 2.191 123 E HA 0.524 4.875 4.350 0.001 0.000 0.274 123 E C -0.867 175.723 176.600 -0.016 0.000 0.948 123 E CA -0.750 55.643 56.400 -0.011 0.000 0.802 123 E CB 2.607 32.290 29.700 -0.029 0.000 1.137 123 E HN 0.468 nan 8.360 nan 0.000 0.397 124 K N 0.891 121.257 120.400 -0.058 0.000 1.884 124 K HA 0.331 4.651 4.320 0.001 0.000 0.250 124 K C 0.775 177.315 176.600 -0.100 0.000 1.009 124 K CA -0.706 55.547 56.287 -0.056 0.000 0.925 124 K CB 0.528 33.002 32.500 -0.043 0.000 1.839 124 K HN 0.290 nan 8.250 nan 0.000 0.735 125 N N 0.870 119.511 118.700 -0.100 0.000 2.062 125 N HA -0.076 4.665 4.740 0.001 0.000 0.191 125 N C 1.315 176.708 175.510 -0.196 0.000 1.042 125 N CA 1.540 54.508 53.050 -0.136 0.000 0.845 125 N CB 0.039 38.454 38.487 -0.120 0.000 1.024 125 N HN 0.434 nan 8.380 nan 0.000 0.424 126 I N -2.970 117.501 120.570 -0.165 0.000 3.621 126 I HA 0.410 4.581 4.170 0.001 0.000 0.325 126 I C -0.971 175.147 176.117 0.001 0.000 1.554 126 I CA -0.442 60.772 61.300 -0.143 0.000 1.053 126 I CB 0.728 38.596 38.000 -0.219 0.000 1.302 126 I HN -0.180 nan 8.210 nan 0.000 0.518 127 S N 0.501 116.184 115.700 -0.028 0.000 2.570 127 S HA 0.797 5.268 4.470 0.001 0.000 0.286 127 S C -0.598 173.999 174.600 -0.005 0.000 1.099 127 S CA -0.626 57.582 58.200 0.012 0.000 0.913 127 S CB 2.945 66.126 63.200 -0.030 0.000 1.085 127 S HN 0.083 nan 8.310 nan 0.000 0.480 128 V N 2.179 122.101 119.914 0.014 0.000 2.610 128 V HA 0.399 4.519 4.120 0.001 0.000 0.298 128 V C -0.895 175.159 176.094 -0.068 0.000 1.067 128 V CA -0.511 61.764 62.300 -0.042 0.000 0.894 128 V CB 1.731 33.533 31.823 -0.036 0.000 1.015 128 V HN 0.890 nan 8.190 nan 0.000 0.432 129 Q N 4.874 124.659 119.800 -0.023 0.000 2.400 129 Q HA 0.482 4.823 4.340 0.001 0.000 0.255 129 Q C -0.214 175.811 176.000 0.043 0.000 1.008 129 Q CA -0.513 55.281 55.803 -0.015 0.000 0.841 129 Q CB 1.014 29.806 28.738 0.091 0.000 1.220 129 Q HN 0.707 nan 8.270 nan 0.000 0.474 130 R N 3.838 124.288 120.500 -0.084 0.000 2.297 130 R HA 0.346 4.687 4.340 0.001 0.000 0.308 130 R C -1.318 174.958 176.300 -0.039 0.000 1.029 130 R CA -0.167 55.935 56.100 0.004 0.000 0.929 130 R CB 0.556 30.811 30.300 -0.075 0.000 1.046 130 R HN 0.448 nan 8.270 nan 0.000 0.461 131 F N 2.646 122.674 119.950 0.130 0.000 2.507 131 F HA 0.474 5.002 4.527 0.001 0.000 0.327 131 F C 0.426 176.348 175.800 0.203 0.000 1.068 131 F CA -0.396 57.690 58.000 0.143 0.000 0.965 131 F CB 1.587 40.666 39.000 0.131 0.000 1.192 131 F HN 0.474 nan 8.300 nan 0.000 0.476 132 c N 3.192 121.965 118.600 0.288 0.000 2.973 132 c HA 0.949 5.519 4.570 0.001 0.000 0.329 132 c C -0.916 173.233 174.090 0.098 0.000 1.327 132 c CA -0.663 55.757 56.329 0.151 0.000 1.632 132 c CB 1.374 43.993 42.510 0.181 0.000 2.098 132 c HN 0.877 nan 8.230 nan 0.000 0.469 133 L N 0.648 121.884 121.223 0.021 0.000 3.133 133 L HA 0.367 4.708 4.340 0.001 0.000 0.280 133 L C -2.003 174.886 176.870 0.033 0.000 1.009 133 L CA -0.432 54.424 54.840 0.027 0.000 0.982 133 L CB 1.980 44.059 42.059 0.033 0.000 1.530 133 L HN 0.889 nan 8.230 nan 0.000 0.394 134 H N 1.609 120.566 119.070 -0.187 0.000 3.059 134 H HA 0.416 4.973 4.556 0.001 0.000 0.302 134 H C -1.574 173.582 175.328 -0.286 0.000 1.264 134 H CA -0.386 55.435 56.048 -0.378 0.000 1.615 134 H CB 0.952 30.462 29.762 -0.419 0.000 1.795 134 H HN 0.348 nan 8.280 nan 0.000 0.556 135 L N 3.377 124.303 121.223 -0.494 0.000 2.426 135 L HA 0.452 4.792 4.340 0.001 0.000 0.271 135 L C -0.792 175.730 176.870 -0.579 0.000 1.169 135 L CA 0.292 54.862 54.840 -0.451 0.000 0.836 135 L CB 0.299 42.127 42.059 -0.384 0.000 1.112 135 L HN 0.477 nan 8.230 nan 0.000 0.465 136 K N 5.690 125.861 120.400 -0.382 0.000 2.565 136 K HA 0.448 4.769 4.320 0.001 0.000 0.251 136 K C -1.708 174.831 176.600 -0.103 0.000 0.956 136 K CA -0.362 55.761 56.287 -0.273 0.000 0.809 136 K CB 1.705 34.028 32.500 -0.295 0.000 1.267 136 K HN 0.543 nan 8.250 nan 0.000 0.438 137 L N 4.069 125.255 121.223 -0.062 0.000 2.313 137 L HA 0.508 4.849 4.340 0.001 0.000 0.283 137 L C 0.025 176.903 176.870 0.014 0.000 1.013 137 L CA -1.273 53.543 54.840 -0.040 0.000 0.816 137 L CB 0.493 42.488 42.059 -0.106 0.000 1.236 137 L HN 0.485 nan 8.230 nan 0.000 0.419 138 Y N 0.320 120.594 120.300 -0.043 0.000 2.334 138 Y HA 0.521 5.071 4.550 0.001 0.000 0.325 138 Y C 0.616 176.504 175.900 -0.020 0.000 1.308 138 Y CA -0.901 57.183 58.100 -0.027 0.000 1.389 138 Y CB 0.563 39.009 38.460 -0.024 0.000 1.328 138 Y HN 0.560 nan 8.280 nan 0.000 0.532 139 E N -0.147 120.084 120.200 0.052 0.000 2.156 139 E HA 0.223 4.573 4.350 0.001 0.000 0.225 139 E C -0.349 176.248 176.600 -0.005 0.000 0.906 139 E CA 0.049 56.426 56.400 -0.037 0.000 0.988 139 E CB 0.368 30.075 29.700 0.012 0.000 1.151 139 E HN 0.682 nan 8.360 nan 0.000 0.504 189 S N -0.532 115.160 115.700 -0.013 0.000 1.616 189 S HA -0.086 4.384 4.470 0.001 0.000 0.237 189 S C 0.833 175.429 174.600 -0.007 0.000 0.811 189 S CA 2.843 61.041 58.200 -0.003 0.000 1.381 189 S CB -2.035 61.165 63.200 -0.001 0.000 1.728 189 S HN 2.231 nan 8.310 nan 0.000 0.522 190 G N 1.197 109.977 108.800 -0.034 0.000 3.257 190 G HA2 0.698 4.659 3.960 0.001 0.000 0.205 190 G HA3 0.698 4.659 3.960 0.001 0.000 0.205 190 G C -2.990 171.824 174.900 -0.143 0.000 1.234 190 G CA -0.378 44.691 45.100 -0.053 0.000 0.918 190 G HN 0.502 nan 8.290 nan 0.000 0.602 191 P HA 0.273 nan 4.420 nan 0.000 0.267 191 P C -0.472 176.606 177.300 -0.369 0.000 1.201 191 P CA 0.319 63.078 63.100 -0.568 0.000 0.775 191 P CB 0.829 32.017 31.700 -0.853 0.000 0.854 192 T N 0.203 114.530 114.554 -0.379 0.000 2.841 192 T HA 0.486 4.836 4.350 0.001 0.000 0.285 192 T C -0.979 173.551 174.700 -0.284 0.000 0.991 192 T CA -0.516 61.414 62.100 -0.283 0.000 0.966 192 T CB 0.457 69.176 68.868 -0.249 0.000 0.962 192 T HN 0.378 nan 8.240 nan 0.000 0.438 193 T N 4.832 119.232 114.554 -0.256 0.000 2.797 193 T HA 0.673 5.024 4.350 0.001 0.000 0.279 193 T C -0.720 173.809 174.700 -0.285 0.000 0.991 193 T CA -0.662 61.303 62.100 -0.226 0.000 0.979 193 T CB 0.233 69.009 68.868 -0.154 0.000 0.943 193 T HN 0.472 nan 8.240 nan 0.000 0.444 194 I N 5.285 125.682 120.570 -0.290 0.000 2.330 194 I HA 0.503 4.674 4.170 0.001 0.000 0.289 194 I C 0.570 176.527 176.117 -0.268 0.000 1.001 194 I CA -0.568 60.494 61.300 -0.396 0.000 1.193 194 I CB 1.213 38.905 38.000 -0.514 0.000 1.345 194 I HN 0.398 nan 8.210 nan 0.000 0.461 195 R N 3.722 124.016 120.500 -0.343 0.000 2.540 195 R HA 0.768 5.109 4.340 0.001 0.000 0.287 195 R C -0.047 175.953 176.300 -0.500 0.000 0.980 195 R CA -0.716 55.219 56.100 -0.275 0.000 0.966 195 R CB 1.894 32.072 30.300 -0.203 0.000 1.106 195 R HN 0.814 nan 8.270 nan 0.000 0.480 196 G N 1.022 109.609 108.800 -0.357 0.000 2.513 196 G HA2 0.345 4.306 3.960 0.001 0.000 0.317 196 G HA3 0.345 4.306 3.960 0.001 0.000 0.317 196 G C -1.226 173.565 174.900 -0.182 0.000 1.277 196 G CA -0.333 44.515 45.100 -0.421 0.000 0.955 196 G HN 0.400 nan 8.290 nan 0.000 0.484 197 Q N 1.997 121.672 119.800 -0.208 0.000 2.333 197 Q HA 0.538 4.878 4.340 0.001 0.000 0.267 197 Q C -1.200 174.911 176.000 0.187 0.000 1.012 197 Q CA -0.662 55.099 55.803 -0.070 0.000 0.824 197 Q CB 1.539 30.223 28.738 -0.091 0.000 1.290 197 Q HN 0.509 nan 8.270 nan 0.000 0.449 198 F N 0.955 120.841 119.950 -0.107 0.000 2.432 198 F HA 0.572 5.099 4.527 0.001 0.000 0.329 198 F C 0.507 176.360 175.800 0.088 0.000 1.076 198 F CA -0.825 57.151 58.000 -0.041 0.000 1.018 198 F CB 2.243 41.190 39.000 -0.088 0.000 1.201 198 F HN 0.485 nan 8.300 nan 0.000 0.489 199 S N 1.071 116.935 115.700 0.272 0.000 2.547 199 S HA 0.352 4.822 4.470 0.001 0.000 0.270 199 S C -0.632 173.998 174.600 0.050 0.000 1.150 199 S CA -0.714 57.590 58.200 0.173 0.000 0.850 199 S CB 1.590 64.912 63.200 0.203 0.000 1.118 199 S HN 0.642 nan 8.310 nan 0.000 0.461 200 N N 1.526 120.226 118.700 -0.000 0.000 2.297 200 N HA 0.270 5.010 4.740 0.001 0.000 0.208 200 N C -0.177 175.276 175.510 -0.096 0.000 1.176 200 N CA 0.155 53.166 53.050 -0.064 0.000 0.882 200 N CB -0.044 38.419 38.487 -0.041 0.000 1.134 200 N HN 0.646 nan 8.380 nan 0.000 0.489 201 M N 1.331 120.887 119.600 -0.073 0.000 2.323 201 M HA -0.078 4.403 4.480 0.001 0.000 0.386 201 M C 0.366 176.596 176.300 -0.116 0.000 1.525 201 M CA 0.906 56.157 55.300 -0.083 0.000 0.914 201 M CB 0.018 32.575 32.600 -0.072 0.000 2.042 201 M HN -0.025 nan 8.290 nan 0.000 0.483 202 S N 3.872 119.513 115.700 -0.098 0.000 2.547 202 S HA 0.648 5.119 4.470 0.001 0.000 0.270 202 S C -0.797 173.776 174.600 -0.045 0.000 1.150 202 S CA -0.952 57.193 58.200 -0.092 0.000 0.850 202 S CB 1.257 64.364 63.200 -0.156 0.000 1.118 202 S HN 0.748 nan 8.310 nan 0.000 0.461 203 L N 2.482 123.717 121.223 0.020 0.000 3.291 203 L HA 0.412 4.752 4.340 0.001 0.000 0.307 203 L C 0.089 177.043 176.870 0.140 0.000 1.303 203 L CA -0.244 54.635 54.840 0.064 0.000 0.949 203 L CB 0.844 42.944 42.059 0.068 0.000 1.375 203 L HN 0.588 nan 8.230 nan 0.000 0.596 204 S N -0.237 115.501 115.700 0.064 0.000 2.482 204 S HA 0.374 4.845 4.470 0.001 0.000 0.303 204 S C 0.520 175.094 174.600 -0.043 0.000 1.091 204 S CA -0.573 57.683 58.200 0.093 0.000 1.057 204 S CB 2.128 65.374 63.200 0.076 0.000 1.031 204 S HN 0.266 nan 8.310 nan 0.000 0.485 205 L N 5.500 126.681 121.223 -0.070 0.000 2.027 205 L HA 0.129 4.470 4.340 0.001 0.000 0.206 205 L C 2.055 178.767 176.870 -0.264 0.000 1.074 205 L CA 1.877 56.554 54.840 -0.271 0.000 0.745 205 L CB -1.086 40.766 42.059 -0.345 0.000 0.898 205 L HN 0.831 nan 8.230 nan 0.000 0.433 206 L N -0.116 121.058 121.223 -0.081 0.000 2.043 206 L HA -0.266 4.074 4.340 0.001 0.000 0.212 206 L C 1.881 178.670 176.870 -0.135 0.000 1.075 206 L CA 2.091 56.801 54.840 -0.217 0.000 0.752 206 L CB -0.985 40.805 42.059 -0.448 0.000 0.891 206 L HN 0.336 nan 8.230 nan 0.000 0.432 207 D N -1.155 119.167 120.400 -0.130 0.000 2.264 207 D HA -0.135 4.506 4.640 0.001 0.000 0.208 207 D C 1.949 178.160 176.300 -0.148 0.000 0.966 207 D CA 1.118 55.026 54.000 -0.153 0.000 0.864 207 D CB -0.016 40.667 40.800 -0.195 0.000 0.933 207 D HN 0.360 nan 8.370 nan 0.000 0.499 208 L N -0.874 120.237 121.223 -0.187 0.000 2.071 208 L HA -0.006 4.335 4.340 0.001 0.000 0.201 208 L C 1.822 178.585 176.870 -0.180 0.000 1.076 208 L CA 1.350 56.061 54.840 -0.216 0.000 0.755 208 L CB -1.013 40.857 42.059 -0.316 0.000 0.915 208 L HN 0.058 nan 8.230 nan 0.000 0.445 209 Y N -0.060 120.124 120.300 -0.194 0.000 1.977 209 Y HA -0.401 4.150 4.550 0.001 0.000 0.264 209 Y C 2.550 178.377 175.900 -0.122 0.000 1.167 209 Y CA 1.919 59.873 58.100 -0.242 0.000 1.102 209 Y CB -0.628 37.761 38.460 -0.118 0.000 0.948 209 Y HN 0.157 nan 8.280 nan 0.000 0.489 210 L N -0.503 120.789 121.223 0.114 0.000 1.997 210 L HA -0.347 3.993 4.340 0.001 0.000 0.227 210 L C 2.682 179.572 176.870 0.033 0.000 1.087 210 L CA 1.658 56.532 54.840 0.058 0.000 0.797 210 L CB -1.434 40.615 42.059 -0.016 0.000 0.902 210 L HN 0.469 nan 8.230 nan 0.000 0.441 211 G N -0.556 108.230 108.800 -0.025 0.000 2.516 211 G HA2 -0.245 3.716 3.960 0.001 0.000 0.221 211 G HA3 -0.245 3.716 3.960 0.001 0.000 0.221 211 G C 1.451 176.361 174.900 0.017 0.000 1.107 211 G CA 0.552 45.636 45.100 -0.027 0.000 0.747 211 G HN 0.279 nan 8.290 nan 0.000 0.567 212 R N -0.138 120.389 120.500 0.046 0.000 2.362 212 R HA 0.211 4.552 4.340 0.001 0.000 0.227 212 R C 1.389 177.870 176.300 0.301 0.000 0.905 212 R CA 0.006 56.182 56.100 0.127 0.000 1.067 212 R CB -0.681 29.625 30.300 0.010 0.000 1.078 212 R HN 0.401 nan 8.270 nan 0.000 0.516 213 G N 1.916 110.861 108.800 0.242 0.000 2.324 213 G HA2 -0.296 3.665 3.960 0.001 0.000 0.292 213 G HA3 -0.296 3.665 3.960 0.001 0.000 0.292 213 G C -0.722 174.375 174.900 0.329 0.000 1.079 213 G CA -0.029 45.208 45.100 0.228 0.000 1.026 213 G HN 0.173 nan 8.290 nan 0.000 0.506 214 Y N -0.559 119.774 120.300 0.055 0.000 2.403 214 Y HA 0.482 5.033 4.550 0.001 0.000 0.323 214 Y C 0.935 176.838 175.900 0.005 0.000 1.226 214 Y CA -2.067 56.048 58.100 0.024 0.000 1.235 214 Y CB 0.949 39.410 38.460 0.002 0.000 1.248 214 Y HN 0.188 nan 8.280 nan 0.000 0.489 215 N N 1.105 119.855 118.700 0.083 0.000 2.605 215 N HA 0.156 4.897 4.740 0.001 0.000 0.282 215 N C -1.486 174.063 175.510 0.065 0.000 1.206 215 N CA 0.178 53.262 53.050 0.056 0.000 1.074 215 N CB -0.278 38.217 38.487 0.014 0.000 1.434 215 N HN 0.256 nan 8.380 nan 0.000 0.506 216 V N 1.132 121.096 119.914 0.084 0.000 2.347 216 V HA 0.529 4.649 4.120 0.001 0.000 0.280 216 V C 0.296 176.447 176.094 0.094 0.000 1.021 216 V CA -0.440 61.913 62.300 0.088 0.000 0.847 216 V CB 1.175 33.041 31.823 0.070 0.000 0.990 216 V HN 0.402 nan 8.190 nan 0.000 0.444 217 S N 2.168 117.928 115.700 0.100 0.000 2.638 217 S HA 0.643 5.113 4.470 0.001 0.000 0.274 217 S C 0.116 174.768 174.600 0.086 0.000 1.157 217 S CA -0.044 58.212 58.200 0.092 0.000 0.826 217 S CB 2.002 65.258 63.200 0.094 0.000 1.139 217 S HN 0.951 nan 8.310 nan 0.000 0.474 218 S N 0.332 116.073 115.700 0.068 0.000 3.695 218 S HA -0.130 4.341 4.470 0.001 0.000 0.310 218 S C -0.015 174.618 174.600 0.054 0.000 1.166 218 S CA 0.474 58.704 58.200 0.050 0.000 0.882 218 S CB -1.838 61.384 63.200 0.036 0.000 0.949 218 S HN 0.568 nan 8.310 nan 0.000 0.540 219 I N 1.158 121.753 120.570 0.042 0.000 2.634 219 I HA 0.347 4.518 4.170 0.001 0.000 0.284 219 I C 0.468 176.555 176.117 -0.050 0.000 1.124 219 I CA -0.115 61.183 61.300 -0.004 0.000 1.417 219 I CB 0.854 38.741 38.000 -0.188 0.000 1.396 219 I HN 0.027 nan 8.210 nan 0.000 0.571 220 V N 4.939 124.840 119.914 -0.022 0.000 2.624 220 V HA 0.342 4.463 4.120 0.001 0.000 0.294 220 V C 0.017 176.132 176.094 0.034 0.000 1.077 220 V CA -0.403 61.896 62.300 -0.001 0.000 0.905 220 V CB 1.907 33.758 31.823 0.047 0.000 1.025 220 V HN 1.020 nan 8.190 nan 0.000 0.440 221 T N 2.168 116.726 114.554 0.007 0.000 2.604 221 T HA 0.996 5.347 4.350 0.001 0.000 0.267 221 T C -0.584 174.212 174.700 0.160 0.000 0.923 221 T CA -0.682 61.477 62.100 0.098 0.000 1.077 221 T CB 2.433 71.334 68.868 0.054 0.000 1.392 221 T HN 1.211 nan 8.240 nan 0.000 0.531 222 M N -0.907 118.831 119.600 0.230 0.000 3.070 222 M HA 0.455 4.936 4.480 0.001 0.000 0.244 222 M C -0.974 175.468 176.300 0.237 0.000 0.841 222 M CA -0.972 54.475 55.300 0.244 0.000 0.809 222 M CB 0.855 33.573 32.600 0.196 0.000 1.604 222 M HN 0.941 nan 8.290 nan 0.000 0.582 223 T N -1.081 113.608 114.554 0.224 0.000 2.949 223 T HA 0.905 5.256 4.350 0.001 0.000 0.287 223 T C -0.418 174.339 174.700 0.096 0.000 1.034 223 T CA -0.123 62.042 62.100 0.109 0.000 1.018 223 T CB 1.923 70.813 68.868 0.037 0.000 1.135 223 T HN 1.476 nan 8.240 nan 0.000 0.532 224 S N 0.441 116.148 115.700 0.012 0.000 2.596 224 S HA 0.307 4.778 4.470 0.001 0.000 0.305 224 S C -0.050 174.545 174.600 -0.008 0.000 1.086 224 S CA -0.150 58.072 58.200 0.035 0.000 0.909 224 S CB 0.660 63.884 63.200 0.039 0.000 1.106 224 S HN 0.944 nan 8.310 nan 0.000 0.450 225 Q N 2.194 122.009 119.800 0.025 0.000 2.451 225 Q HA -0.250 4.091 4.340 0.001 0.000 0.176 225 Q C 0.998 176.998 176.000 -0.000 0.000 2.730 225 Q CA 2.695 58.509 55.803 0.017 0.000 0.574 225 Q CB -1.807 26.935 28.738 0.006 0.000 0.548 225 Q HN 1.944 nan 8.270 nan 0.000 0.607 226 G N -0.103 108.665 108.800 -0.055 0.000 4.362 226 G HA2 0.087 4.048 3.960 0.001 0.000 0.220 226 G HA3 0.087 4.048 3.960 0.001 0.000 0.220 226 G C 0.181 174.991 174.900 -0.149 0.000 0.795 226 G CA 0.286 45.338 45.100 -0.079 0.000 0.920 226 G HN 0.294 nan 8.290 nan 0.000 0.715 227 M N -0.242 119.263 119.600 -0.158 0.000 2.762 227 M HA 0.928 5.408 4.480 0.001 0.000 0.306 227 M C -0.494 175.687 176.300 -0.198 0.000 1.223 227 M CA -1.419 53.753 55.300 -0.213 0.000 0.896 227 M CB 1.787 34.248 32.600 -0.232 0.000 1.684 227 M HN 0.404 nan 8.290 nan 0.000 0.491 228 Y N -1.287 118.825 120.300 -0.314 0.000 2.562 228 Y HA 0.960 5.510 4.550 0.001 0.000 0.345 228 Y C -1.042 174.799 175.900 -0.099 0.000 1.045 228 Y CA -0.794 57.161 58.100 -0.240 0.000 1.028 228 Y CB 1.571 39.774 38.460 -0.428 0.000 1.297 228 Y HN 1.039 nan 8.280 nan 0.000 0.463 229 G N -0.158 108.656 108.800 0.022 0.000 2.704 229 G HA2 0.692 4.653 3.960 0.001 0.000 0.293 229 G HA3 0.692 4.653 3.960 0.001 0.000 0.293 229 G C -1.188 173.833 174.900 0.202 0.000 1.421 229 G CA -0.496 44.607 45.100 0.005 0.000 0.870 229 G HN 1.457 nan 8.290 nan 0.000 0.492 230 G N -1.808 107.121 108.800 0.215 0.000 2.561 230 G HA2 0.801 4.762 3.960 0.001 0.000 0.310 230 G HA3 0.801 4.762 3.960 0.001 0.000 0.310 230 G C -1.284 173.753 174.900 0.228 0.000 1.292 230 G CA 0.501 45.743 45.100 0.237 0.000 0.811 230 G HN 1.421 nan 8.290 nan 0.000 0.482 231 T N -1.203 113.467 114.554 0.193 0.000 2.893 231 T HA 0.693 5.043 4.350 0.001 0.000 0.337 231 T C -1.795 172.912 174.700 0.012 0.000 1.587 231 T CA -0.121 61.928 62.100 -0.085 0.000 1.066 231 T CB 1.161 69.959 68.868 -0.116 0.000 1.414 231 T HN 1.788 nan 8.240 nan 0.000 0.488 232 Y N 0.524 120.733 120.300 -0.152 0.000 2.925 232 Y HA 0.759 5.310 4.550 0.001 0.000 0.349 232 Y C -2.326 173.515 175.900 -0.098 0.000 1.342 232 Y CA -1.565 56.477 58.100 -0.096 0.000 1.093 232 Y CB 0.680 39.115 38.460 -0.042 0.000 1.571 232 Y HN 0.627 nan 8.280 nan 0.000 0.438 233 L N 2.508 123.807 121.223 0.126 0.000 2.362 233 L HA 0.890 5.231 4.340 0.001 0.000 0.271 233 L C -0.728 176.210 176.870 0.113 0.000 1.002 233 L CA -1.302 53.571 54.840 0.054 0.000 0.818 233 L CB 2.218 44.290 42.059 0.021 0.000 1.298 233 L HN 0.731 nan 8.230 nan 0.000 0.420 234 V N -0.853 119.093 119.914 0.053 0.000 3.040 234 V HA 0.560 4.680 4.120 0.001 0.000 0.312 234 V C -0.793 175.323 176.094 0.037 0.000 1.115 234 V CA -0.875 61.412 62.300 -0.023 0.000 0.998 234 V CB 2.061 33.685 31.823 -0.332 0.000 1.042 234 V HN 0.727 nan 8.190 nan 0.000 0.433 235 E N 1.811 122.027 120.200 0.027 0.000 1.963 235 E HA 0.369 4.719 4.350 0.001 0.000 0.274 235 E C -0.494 176.156 176.600 0.082 0.000 1.061 235 E CA 0.050 56.473 56.400 0.038 0.000 0.847 235 E CB 0.569 30.250 29.700 -0.032 0.000 1.083 235 E HN 0.674 nan 8.360 nan 0.000 0.402 236 K N 4.742 125.241 120.400 0.165 0.000 2.307 236 K HA 0.307 4.628 4.320 0.001 0.000 0.263 236 K C -2.138 174.575 176.600 0.188 0.000 0.973 236 K CA -2.333 54.059 56.287 0.174 0.000 0.846 236 K CB 1.451 33.971 32.500 0.032 0.000 1.100 236 K HN 0.235 nan 8.250 nan 0.000 0.438 237 P HA -0.073 nan 4.420 nan 0.000 0.218 237 P C -0.391 176.981 177.300 0.121 0.000 1.152 237 P CA 0.538 63.702 63.100 0.107 0.000 0.826 237 P CB 0.096 31.840 31.700 0.073 0.000 0.790 238 N N 0.047 118.812 118.700 0.108 0.000 2.291 238 N HA -0.026 4.714 4.740 0.001 0.000 0.281 238 N C 0.659 176.242 175.510 0.123 0.000 1.388 238 N CA 0.639 53.740 53.050 0.086 0.000 0.920 238 N CB -0.302 38.212 38.487 0.044 0.000 1.276 238 N HN -0.082 nan 8.380 nan 0.000 0.493 239 L N 2.074 123.365 121.223 0.113 0.000 1.306 239 L HA -0.128 4.213 4.340 0.001 0.000 0.267 239 L C 1.051 177.971 176.870 0.083 0.000 1.303 239 L CA 1.515 56.427 54.840 0.119 0.000 1.609 239 L CB -1.392 40.779 42.059 0.186 0.000 2.219 239 L HN 0.471 nan 8.230 nan 0.000 0.493 240 S N -1.066 114.681 115.700 0.079 0.000 2.514 240 S HA 0.286 4.757 4.470 0.001 0.000 0.223 240 S C 0.752 175.381 174.600 0.049 0.000 1.046 240 S CA 0.591 58.823 58.200 0.054 0.000 0.914 240 S CB 0.215 63.442 63.200 0.045 0.000 0.807 240 S HN 0.727 nan 8.310 nan 0.000 0.497 241 S N 2.249 117.984 115.700 0.060 0.000 3.524 241 S HA -0.147 4.324 4.470 0.001 0.000 0.377 241 S C -0.300 174.323 174.600 0.038 0.000 0.949 241 S CA 1.012 59.244 58.200 0.053 0.000 1.264 241 S CB -1.786 61.445 63.200 0.052 0.000 0.918 241 S HN 0.957 nan 8.310 nan 0.000 0.517 242 K N 0.712 121.130 120.400 0.031 0.000 2.575 242 K HA 0.671 4.992 4.320 0.001 0.000 0.236 242 K C 0.168 176.771 176.600 0.005 0.000 0.976 242 K CA -0.973 55.324 56.287 0.018 0.000 0.985 242 K CB 1.369 33.877 32.500 0.014 0.000 1.198 242 K HN 0.297 nan 8.250 nan 0.000 0.464 247 S N 1.938 117.632 115.700 -0.010 0.000 2.555 247 S HA -0.041 4.430 4.470 0.001 0.000 0.293 247 S C 0.259 174.856 174.600 -0.006 0.000 1.248 247 S CA 0.086 58.282 58.200 -0.007 0.000 1.096 247 S CB 0.263 63.459 63.200 -0.006 0.000 0.881 247 S HN 0.273 nan 8.310 nan 0.000 0.498 248 Q N 4.622 124.421 119.800 -0.003 0.000 2.275 248 Q HA -0.012 4.329 4.340 0.001 0.000 0.293 248 Q C 0.224 176.231 176.000 0.011 0.000 1.129 248 Q CA 0.028 55.831 55.803 -0.000 0.000 0.971 248 Q CB 0.219 28.961 28.738 0.006 0.000 1.098 248 Q HN 0.712 nan 8.270 nan 0.000 0.386 249 L N 1.797 123.023 121.223 0.006 0.000 2.425 249 L HA 0.249 4.590 4.340 0.001 0.000 0.215 249 L C 0.292 177.195 176.870 0.054 0.000 1.065 249 L CA 0.506 55.357 54.840 0.019 0.000 0.842 249 L CB -1.302 40.756 42.059 -0.002 0.000 1.033 249 L HN 0.734 nan 8.230 nan 0.000 0.474 250 S N 0.713 116.422 115.700 0.015 0.000 3.088 250 S HA -0.190 4.280 4.470 0.001 0.000 0.857 250 S C -0.307 174.291 174.600 -0.004 0.000 1.010 250 S CA 0.269 58.450 58.200 -0.032 0.000 1.289 250 S CB -0.630 62.622 63.200 0.086 0.000 0.917 250 S HN 0.421 nan 8.310 nan 0.000 0.254 251 M N 4.512 123.998 119.600 -0.189 0.000 2.253 251 M HA 0.685 5.165 4.480 0.001 0.000 0.314 251 M C -1.516 174.649 176.300 -0.224 0.000 1.019 251 M CA -0.387 54.871 55.300 -0.069 0.000 0.932 251 M CB 1.110 33.678 32.600 -0.052 0.000 1.606 251 M HN 0.637 nan 8.290 nan 0.000 0.430 252 Y N 1.834 122.117 120.300 -0.027 0.000 2.587 252 Y HA 0.637 5.187 4.550 0.001 0.000 0.337 252 Y C -0.427 175.417 175.900 -0.093 0.000 1.065 252 Y CA -1.096 56.983 58.100 -0.035 0.000 1.126 252 Y CB 1.561 40.019 38.460 -0.003 0.000 1.279 252 Y HN 0.565 nan 8.280 nan 0.000 0.489 253 R N 1.210 121.726 120.500 0.027 0.000 2.343 253 R HA 0.683 5.023 4.340 0.001 0.000 0.320 253 R C -2.078 174.005 176.300 -0.363 0.000 0.956 253 R CA -0.484 55.481 56.100 -0.225 0.000 0.836 253 R CB 0.985 31.112 30.300 -0.289 0.000 1.151 253 R HN 0.567 nan 8.270 nan 0.000 0.450 254 V N 5.580 125.139 119.914 -0.592 0.000 2.483 254 V HA 0.460 4.580 4.120 0.001 0.000 0.295 254 V C -0.683 174.946 176.094 -0.775 0.000 1.035 254 V CA -0.532 61.437 62.300 -0.551 0.000 0.896 254 V CB 1.445 32.961 31.823 -0.511 0.000 0.986 254 V HN 0.624 nan 8.190 nan 0.000 0.447 255 F N 2.783 122.656 119.950 -0.129 0.000 2.403 255 F HA 0.509 5.037 4.527 0.001 0.000 0.355 255 F C 0.292 176.119 175.800 0.046 0.000 1.119 255 F CA -0.297 57.663 58.000 -0.067 0.000 1.007 255 F CB 1.343 40.307 39.000 -0.059 0.000 1.194 255 F HN 0.500 nan 8.300 nan 0.000 0.443 256 E N 3.276 123.620 120.200 0.239 0.000 2.210 256 E HA 0.665 5.016 4.350 0.001 0.000 0.266 256 E C -1.828 174.815 176.600 0.072 0.000 0.883 256 E CA -0.813 55.732 56.400 0.241 0.000 0.761 256 E CB 2.548 32.478 29.700 0.383 0.000 1.156 256 E HN 0.474 nan 8.360 nan 0.000 0.412 257 V N 3.464 123.312 119.914 -0.110 0.000 2.808 257 V HA 0.926 5.046 4.120 0.001 0.000 0.308 257 V C -0.611 175.111 176.094 -0.621 0.000 1.099 257 V CA 0.390 62.444 62.300 -0.410 0.000 0.920 257 V CB 1.487 33.144 31.823 -0.277 0.000 1.014 257 V HN 0.821 nan 8.190 nan 0.000 0.425 258 G N 4.116 112.250 108.800 -1.111 0.000 2.772 258 G HA2 0.683 4.644 3.960 0.001 0.000 0.284 258 G HA3 0.683 4.644 3.960 0.001 0.000 0.284 258 G C -1.617 172.884 174.900 -0.665 0.000 1.217 258 G CA -0.020 44.581 45.100 -0.831 0.000 0.831 258 G HN 1.139 nan 8.290 nan 0.000 0.523 259 V N 0.012 119.775 119.914 -0.252 0.000 2.914 259 V HA 0.520 4.641 4.120 0.001 0.000 0.314 259 V C -0.863 175.233 176.094 0.003 0.000 1.084 259 V CA -0.624 61.604 62.300 -0.120 0.000 0.963 259 V CB 1.989 33.752 31.823 -0.101 0.000 1.025 259 V HN 0.565 nan 8.190 nan 0.000 0.432 260 I N 3.543 124.026 120.570 -0.146 0.000 2.291 260 I HA 0.390 4.561 4.170 0.001 0.000 0.292 260 I C 0.593 176.729 176.117 0.031 0.000 1.064 260 I CA 0.394 61.555 61.300 -0.231 0.000 1.269 260 I CB 0.201 37.888 38.000 -0.520 0.000 1.418 260 I HN 0.439 nan 8.210 nan 0.000 0.485 261 R N 3.654 124.215 120.500 0.102 0.000 2.643 261 R HA 0.423 4.764 4.340 0.001 0.000 0.272 261 R C -0.162 176.289 176.300 0.251 0.000 0.995 261 R CA -0.970 55.240 56.100 0.183 0.000 1.032 261 R CB 1.109 31.510 30.300 0.168 0.000 1.126 261 R HN 0.393 nan 8.270 nan 0.000 0.505 262 N N 1.692 120.579 118.700 0.311 0.000 2.898 262 N HA 0.246 4.986 4.740 0.001 0.000 0.245 262 N C -2.205 173.428 175.510 0.205 0.000 1.185 262 N CA -1.804 51.496 53.050 0.416 0.000 0.879 262 N CB 1.023 39.758 38.487 0.414 0.000 1.157 262 N HN 0.280 nan 8.380 nan 0.000 0.503 263 P HA 0.238 nan 4.420 nan 0.000 0.247 263 P C 0.181 177.529 177.300 0.080 0.000 1.225 263 P CA 0.208 63.356 63.100 0.080 0.000 0.768 263 P CB -0.000 31.723 31.700 0.039 0.000 1.020 264 G N -0.133 108.740 108.800 0.121 0.000 2.248 264 G HA2 -0.214 3.747 3.960 0.001 0.000 0.263 264 G HA3 -0.214 3.747 3.960 0.001 0.000 0.263 264 G C 0.054 175.012 174.900 0.096 0.000 1.082 264 G CA -0.496 44.665 45.100 0.101 0.000 0.863 264 G HN 0.267 nan 8.290 nan 0.000 0.495 265 L N 0.257 121.552 121.223 0.120 0.000 3.110 265 L HA 0.517 4.858 4.340 0.001 0.000 0.266 265 L C 1.847 178.789 176.870 0.119 0.000 1.257 265 L CA 0.270 55.161 54.840 0.085 0.000 1.038 265 L CB 0.383 42.467 42.059 0.041 0.000 1.395 265 L HN 1.168 nan 8.230 nan 0.000 0.566 266 G N 0.523 109.439 108.800 0.194 0.000 2.416 266 G HA2 -0.051 3.910 3.960 0.001 0.000 0.301 266 G HA3 -0.051 3.910 3.960 0.001 0.000 0.301 266 G C 0.345 175.410 174.900 0.276 0.000 0.985 266 G CA 0.706 45.964 45.100 0.263 0.000 0.934 266 G HN 0.808 nan 8.290 nan 0.000 0.513 267 A N -0.842 122.046 122.820 0.113 0.000 2.594 267 A HA 0.829 5.150 4.320 0.001 0.000 0.296 267 A C -2.813 174.122 177.584 -1.083 0.000 1.056 267 A CA -0.801 50.952 52.037 -0.473 0.000 0.693 267 A CB 1.893 20.755 19.000 -0.231 0.000 1.278 267 A HN 0.194 nan 8.150 nan 0.000 0.408 268 P HA 0.438 nan 4.420 nan 0.000 0.274 268 P C -0.711 176.223 177.300 -0.610 0.000 1.231 268 P CA -0.067 62.059 63.100 -1.623 0.000 0.790 268 P CB 1.246 31.861 31.700 -1.808 0.000 0.951 269 V N 3.460 123.221 119.914 -0.255 0.000 2.447 269 V HA 0.226 4.346 4.120 0.001 0.000 0.292 269 V C -0.138 176.036 176.094 0.134 0.000 1.021 269 V CA -0.527 61.744 62.300 -0.047 0.000 0.850 269 V CB 0.829 32.629 31.823 -0.039 0.000 1.005 269 V HN 0.322 nan 8.190 nan 0.000 0.426 270 F N 3.686 123.527 119.950 -0.182 0.000 2.484 270 F HA 0.327 4.855 4.527 0.001 0.000 0.360 270 F C 0.674 176.520 175.800 0.076 0.000 1.101 270 F CA -0.031 57.861 58.000 -0.180 0.000 1.251 270 F CB 0.171 38.824 39.000 -0.578 0.000 1.132 270 F HN 0.538 nan 8.300 nan 0.000 0.570 271 H N 5.408 124.651 119.070 0.288 0.000 2.906 271 H HA 0.304 4.860 4.556 0.001 0.000 0.324 271 H C -0.689 174.770 175.328 0.219 0.000 0.973 271 H CA -1.020 55.147 56.048 0.199 0.000 1.321 271 H CB 1.052 30.884 29.762 0.117 0.000 1.535 271 H HN 0.723 nan 8.280 nan 0.000 0.518 272 M N 5.545 125.270 119.600 0.208 0.000 2.268 272 M HA 0.025 4.506 4.480 0.001 0.000 0.349 272 M C 0.265 176.416 176.300 -0.249 0.000 1.485 272 M CA 0.684 55.991 55.300 0.012 0.000 1.094 272 M CB 0.709 33.366 32.600 0.096 0.000 1.843 272 M HN 0.797 nan 8.290 nan 0.000 0.460 273 T N 0.792 115.133 114.554 -0.355 0.000 2.978 273 T HA 0.266 4.617 4.350 0.001 0.000 0.248 273 T C 0.221 174.849 174.700 -0.120 0.000 1.018 273 T CA -0.181 61.721 62.100 -0.331 0.000 1.026 273 T CB 0.056 68.540 68.868 -0.640 0.000 1.032 273 T HN 0.654 nan 8.240 nan 0.000 0.485 274 N N 0.634 119.260 118.700 -0.124 0.000 2.310 274 N HA 0.526 5.267 4.740 0.001 0.000 0.292 274 N C -1.891 173.678 175.510 0.098 0.000 1.049 274 N CA -0.906 52.139 53.050 -0.007 0.000 0.849 274 N CB 1.956 40.401 38.487 -0.071 0.000 1.532 274 N HN 0.494 nan 8.380 nan 0.000 0.479 275 Y N 3.109 123.405 120.300 -0.006 0.000 2.544 275 Y HA 0.677 5.228 4.550 0.001 0.000 0.342 275 Y C -2.242 173.696 175.900 0.063 0.000 1.062 275 Y CA -1.032 57.090 58.100 0.038 0.000 1.023 275 Y CB 1.137 39.627 38.460 0.050 0.000 1.308 275 Y HN 0.504 nan 8.280 nan 0.000 0.457 276 L N 4.785 125.856 121.223 -0.254 0.000 2.408 276 L HA 0.642 4.982 4.340 0.001 0.000 0.268 276 L C -1.291 175.489 176.870 -0.149 0.000 0.986 276 L CA -0.491 54.169 54.840 -0.301 0.000 0.820 276 L CB 2.082 44.133 42.059 -0.012 0.000 1.303 276 L HN 0.981 nan 8.230 nan 0.000 0.411 277 E N 3.219 123.302 120.200 -0.194 0.000 2.281 277 E HA 0.579 4.929 4.350 0.001 0.000 0.262 277 E C -1.664 175.004 176.600 0.113 0.000 0.933 277 E CA -0.542 55.873 56.400 0.025 0.000 0.809 277 E CB 2.055 31.794 29.700 0.064 0.000 1.242 277 E HN 0.659 nan 8.360 nan 0.000 0.418 278 Q N 1.554 121.482 119.800 0.212 0.000 2.518 278 Q HA 0.236 4.576 4.340 0.001 0.000 0.254 278 Q C -2.707 173.437 176.000 0.241 0.000 0.962 278 Q CA -1.647 54.296 55.803 0.233 0.000 0.982 278 Q CB 2.508 31.358 28.738 0.186 0.000 1.516 278 Q HN 0.425 nan 8.270 nan 0.000 0.426 279 P HA 0.151 nan 4.420 nan 0.000 0.271 279 P C -0.776 176.438 177.300 -0.143 0.000 1.218 279 P CA -0.111 62.833 63.100 -0.260 0.000 0.780 279 P CB 1.121 32.683 31.700 -0.231 0.000 0.901 280 V N 1.847 121.638 119.914 -0.205 0.000 3.001 280 V HA 0.246 4.366 4.120 0.001 0.000 0.314 280 V C 1.315 177.341 176.094 -0.113 0.000 1.099 280 V CA -0.323 61.916 62.300 -0.101 0.000 0.989 280 V CB 1.674 33.454 31.823 -0.072 0.000 1.040 280 V HN 0.475 nan 8.190 nan 0.000 0.434 281 S N 1.584 117.242 115.700 -0.070 0.000 2.524 281 S HA 0.146 4.616 4.470 0.001 0.000 0.216 281 S C 0.278 174.843 174.600 -0.058 0.000 0.987 281 S CA 0.383 58.543 58.200 -0.068 0.000 0.909 281 S CB -0.296 62.871 63.200 -0.054 0.000 0.781 281 S HN 1.011 nan 8.310 nan 0.000 0.521 282 N N -0.286 118.384 118.700 -0.049 0.000 3.043 282 N HA 0.154 4.894 4.740 0.001 0.000 0.243 282 N C -1.553 173.938 175.510 -0.032 0.000 1.347 282 N CA -0.714 52.313 53.050 -0.039 0.000 0.896 282 N CB 0.435 38.905 38.487 -0.029 0.000 1.501 282 N HN -0.139 nan 8.380 nan 0.000 0.504 283 D N 0.409 120.794 120.400 -0.026 0.000 2.370 283 D HA 0.074 4.715 4.640 0.001 0.000 0.230 283 D C 0.528 176.824 176.300 -0.007 0.000 1.143 283 D CA -0.099 53.891 54.000 -0.016 0.000 0.834 283 D CB -0.136 40.657 40.800 -0.011 0.000 0.944 283 D HN 0.583 nan 8.370 nan 0.000 0.504 284 L N 0.402 121.621 121.223 -0.007 0.000 2.529 284 L HA 0.044 4.385 4.340 0.001 0.000 0.223 284 L C 1.235 178.109 176.870 0.007 0.000 1.113 284 L CA -0.073 54.768 54.840 0.002 0.000 0.861 284 L CB -0.165 41.895 42.059 0.001 0.000 1.012 284 L HN -0.013 nan 8.230 nan 0.000 0.461 285 S N 0.159 115.860 115.700 0.001 0.000 2.584 285 S HA 0.238 4.708 4.470 0.001 0.000 0.270 285 S C -0.058 174.542 174.600 0.000 0.000 1.346 285 S CA -0.552 57.649 58.200 0.002 0.000 1.018 285 S CB 1.532 64.729 63.200 -0.005 0.000 0.899 285 S HN 0.259 nan 8.310 nan 0.000 0.542 286 N N -1.057 117.644 118.700 0.002 0.000 2.823 286 N HA 0.506 5.246 4.740 0.001 0.000 0.251 286 N C -1.886 173.629 175.510 0.009 0.000 1.392 286 N CA -0.431 52.624 53.050 0.008 0.000 0.864 286 N CB 1.881 40.383 38.487 0.024 0.000 1.481 286 N HN 0.827 nan 8.380 nan 0.000 0.508 287 c N 0.495 119.105 118.600 0.018 0.000 3.171 287 c HA 0.625 5.196 4.570 0.001 0.000 0.308 287 c C -0.264 173.826 174.090 -0.000 0.000 1.334 287 c CA -0.762 55.576 56.329 0.014 0.000 1.473 287 c CB 1.354 43.907 42.510 0.071 0.000 1.866 287 c HN 0.649 nan 8.230 nan 0.000 0.465 288 M N 1.758 121.284 119.600 -0.122 0.000 2.238 288 M HA 0.572 5.053 4.480 0.001 0.000 0.350 288 M C -0.920 175.404 176.300 0.040 0.000 1.138 288 M CA -0.253 54.914 55.300 -0.222 0.000 1.040 288 M CB 1.484 33.506 32.600 -0.963 0.000 1.639 288 M HN 0.412 nan 8.290 nan 0.000 0.451 289 V N 2.550 122.665 119.914 0.334 0.000 2.459 289 V HA 0.860 4.980 4.120 0.001 0.000 0.295 289 V C -0.336 176.063 176.094 0.510 0.000 1.029 289 V CA -0.687 61.854 62.300 0.402 0.000 0.874 289 V CB 1.580 33.547 31.823 0.240 0.000 0.985 289 V HN 0.938 nan 8.190 nan 0.000 0.438 290 A N 5.518 128.561 122.820 0.373 0.000 2.393 290 A HA 0.928 5.248 4.320 0.001 0.000 0.306 290 A C -1.173 176.406 177.584 -0.008 0.000 1.050 290 A CA -0.512 51.539 52.037 0.023 0.000 0.724 290 A CB 1.362 20.125 19.000 -0.396 0.000 1.248 290 A HN 0.750 nan 8.150 nan 0.000 0.424 291 L N 0.977 122.169 121.223 -0.051 0.000 2.301 291 L HA 0.923 5.264 4.340 0.001 0.000 0.264 291 L C 0.413 177.246 176.870 -0.062 0.000 1.016 291 L CA -0.497 54.318 54.840 -0.043 0.000 0.821 291 L CB 2.544 44.594 42.059 -0.015 0.000 1.346 291 L HN 1.260 nan 8.230 nan 0.000 0.429 292 G N 0.029 108.796 108.800 -0.055 0.000 2.326 292 G HA2 0.096 4.057 3.960 0.001 0.000 0.478 292 G HA3 0.096 4.057 3.960 0.001 0.000 0.478 292 G C -0.823 174.054 174.900 -0.038 0.000 1.551 292 G CA -0.936 44.140 45.100 -0.040 0.000 0.946 292 G HN 0.670 nan 8.290 nan 0.000 0.671 293 E N 0.963 121.152 120.200 -0.018 0.000 2.210 293 E HA -0.176 4.175 4.350 0.001 0.000 0.201 293 E C 1.139 177.731 176.600 -0.013 0.000 1.339 293 E CA 0.572 56.968 56.400 -0.008 0.000 0.699 293 E CB -0.592 29.106 29.700 -0.004 0.000 1.126 293 E HN 1.357 nan 8.360 nan 0.000 0.355 294 L N -2.632 118.578 121.223 -0.022 0.000 3.970 294 L HA -0.310 4.031 4.340 0.001 0.000 0.425 294 L C 0.607 177.430 176.870 -0.077 0.000 1.162 294 L CA 2.450 57.265 54.840 -0.041 0.000 0.968 294 L CB -2.555 39.529 42.059 0.041 0.000 1.896 294 L HN 0.618 nan 8.230 nan 0.000 1.006 295 K N -0.952 119.400 120.400 -0.079 0.000 2.509 295 K HA 0.827 5.148 4.320 0.001 0.000 0.266 295 K C -0.839 175.712 176.600 -0.083 0.000 0.987 295 K CA -1.243 54.994 56.287 -0.083 0.000 0.868 295 K CB 2.685 35.154 32.500 -0.052 0.000 1.421 295 K HN -0.058 nan 8.250 nan 0.000 0.444 296 L N 0.504 121.682 121.223 -0.075 0.000 2.333 296 L HA 0.747 5.087 4.340 0.001 0.000 0.280 296 L C -1.453 175.410 176.870 -0.012 0.000 1.004 296 L CA -0.291 54.526 54.840 -0.039 0.000 0.820 296 L CB 1.712 43.748 42.059 -0.039 0.000 1.247 296 L HN 0.876 nan 8.230 nan 0.000 0.416 297 A N 4.509 127.358 122.820 0.048 0.000 2.287 297 A HA 0.926 5.247 4.320 0.001 0.000 0.317 297 A C -0.526 177.212 177.584 0.256 0.000 1.220 297 A CA -0.024 52.079 52.037 0.110 0.000 0.835 297 A CB 0.947 20.019 19.000 0.120 0.000 1.180 297 A HN 1.221 nan 8.150 nan 0.000 0.500 298 A N 2.231 125.116 122.820 0.108 0.000 2.331 298 A HA 0.694 5.015 4.320 0.001 0.000 0.320 298 A C -1.151 176.406 177.584 -0.045 0.000 1.138 298 A CA -0.412 51.688 52.037 0.104 0.000 0.790 298 A CB 0.872 19.960 19.000 0.146 0.000 1.206 298 A HN 1.170 nan 8.150 nan 0.000 0.470 299 L N 3.352 124.466 121.223 -0.183 0.000 2.318 299 L HA 0.555 4.895 4.340 0.001 0.000 0.277 299 L C -0.746 176.053 176.870 -0.118 0.000 1.008 299 L CA -0.014 54.669 54.840 -0.262 0.000 0.846 299 L CB 0.668 42.338 42.059 -0.649 0.000 1.220 299 L HN 0.748 nan 8.230 nan 0.000 0.423 300 c N 3.536 122.092 118.600 -0.073 0.000 2.397 300 c HA 0.745 5.316 4.570 0.001 0.000 0.343 300 c C -0.388 173.610 174.090 -0.153 0.000 1.188 300 c CA -0.686 55.608 56.329 -0.059 0.000 1.992 300 c CB 1.141 43.630 42.510 -0.034 0.000 2.358 300 c HN 0.768 nan 8.230 nan 0.000 0.518 301 H N -0.632 118.283 119.070 -0.259 0.000 3.085 301 H HA 0.315 4.871 4.556 0.001 0.000 0.356 301 H C 0.575 175.765 175.328 -0.231 0.000 1.178 301 H CA 0.353 56.144 56.048 -0.429 0.000 1.214 301 H CB 1.745 30.924 29.762 -0.972 0.000 1.881 301 H HN 0.715 nan 8.280 nan 0.000 0.538 302 G N 2.520 111.404 108.800 0.141 0.000 2.484 302 G HA2 -0.170 3.791 3.960 0.001 0.000 0.215 302 G HA3 -0.170 3.791 3.960 0.001 0.000 0.215 302 G C 0.434 175.414 174.900 0.133 0.000 1.219 302 G CA 0.659 45.837 45.100 0.130 0.000 0.791 302 G HN 0.508 nan 8.290 nan 0.000 0.550 303 E N 0.030 120.323 120.200 0.156 0.000 2.318 303 E HA 0.316 4.666 4.350 0.001 0.000 0.265 303 E C 0.147 176.642 176.600 -0.175 0.000 1.069 303 E CA -0.353 56.016 56.400 -0.051 0.000 0.893 303 E CB 1.397 31.047 29.700 -0.082 0.000 1.076 303 E HN 0.074 nan 8.360 nan 0.000 0.414 304 D N 0.208 120.549 120.400 -0.098 0.000 2.301 304 D HA 0.057 4.698 4.640 0.001 0.000 0.206 304 D C -0.186 176.049 176.300 -0.109 0.000 0.979 304 D CA 0.531 54.491 54.000 -0.066 0.000 0.874 304 D CB 0.355 41.176 40.800 0.035 0.000 0.968 304 D HN 0.166 nan 8.370 nan 0.000 0.510 305 S N 0.481 116.096 115.700 -0.142 0.000 2.921 305 S HA 0.309 4.779 4.470 0.001 0.000 0.244 305 S C -0.504 173.911 174.600 -0.308 0.000 1.291 305 S CA -0.595 57.448 58.200 -0.262 0.000 1.010 305 S CB -0.550 62.559 63.200 -0.152 0.000 1.255 305 S HN -0.021 nan 8.310 nan 0.000 0.492 306 I N 3.294 123.661 120.570 -0.338 0.000 2.441 306 I HA 0.242 4.413 4.170 0.001 0.000 0.287 306 I C 0.843 176.814 176.117 -0.244 0.000 1.049 306 I CA 0.498 61.629 61.300 -0.283 0.000 1.381 306 I CB 1.455 39.312 38.000 -0.238 0.000 1.409 306 I HN 0.289 nan 8.210 nan 0.000 0.523 307 T N 6.745 121.194 114.554 -0.174 0.000 2.823 307 T HA 0.570 4.920 4.350 0.001 0.000 0.279 307 T C -0.097 174.537 174.700 -0.110 0.000 0.998 307 T CA -0.392 61.614 62.100 -0.158 0.000 0.994 307 T CB 0.902 69.688 68.868 -0.137 0.000 0.960 307 T HN 0.078 nan 8.240 nan 0.000 0.448 308 I N 5.919 126.414 120.570 -0.125 0.000 2.519 308 I HA 0.314 4.484 4.170 0.001 0.000 0.287 308 I C -1.433 174.604 176.117 -0.133 0.000 1.047 308 I CA -2.005 59.234 61.300 -0.102 0.000 1.381 308 I CB 0.277 38.209 38.000 -0.112 0.000 1.417 308 I HN 0.450 nan 8.210 nan 0.000 0.540 309 P HA 0.272 nan 4.420 nan 0.000 0.281 309 P C -1.048 176.263 177.300 0.018 0.000 1.281 309 P CA -0.226 62.852 63.100 -0.037 0.000 0.811 309 P CB 1.322 33.034 31.700 0.020 0.000 1.154 310 Y N -0.983 119.316 120.300 -0.002 0.000 2.968 310 Y HA 0.112 4.662 4.550 0.001 0.000 0.316 310 Y C 1.887 177.786 175.900 -0.001 0.000 1.359 310 Y CA -0.852 57.246 58.100 -0.003 0.000 1.107 310 Y CB 1.205 39.663 38.460 -0.003 0.000 1.374 310 Y HN 0.225 nan 8.280 nan 0.000 0.621 311 Q N 0.221 120.099 119.800 0.132 0.000 2.365 311 Q HA 0.094 4.435 4.340 0.001 0.000 0.203 311 Q C 1.064 177.083 176.000 0.033 0.000 0.929 311 Q CA 0.825 56.648 55.803 0.034 0.000 0.948 311 Q CB 0.005 28.717 28.738 -0.043 0.000 1.043 311 Q HN 0.875 nan 8.270 nan 0.000 0.505 312 G N 1.492 110.336 108.800 0.074 0.000 2.408 312 G HA2 -0.172 3.788 3.960 0.001 0.000 0.215 312 G HA3 -0.172 3.788 3.960 0.001 0.000 0.215 312 G C 1.457 176.384 174.900 0.046 0.000 1.156 312 G CA 0.896 46.029 45.100 0.055 0.000 0.793 312 G HN 0.553 nan 8.290 nan 0.000 0.535 313 S N -1.768 113.967 115.700 0.058 0.000 2.564 313 S HA 0.388 4.859 4.470 0.001 0.000 0.231 313 S C 2.082 176.704 174.600 0.038 0.000 1.067 313 S CA 1.048 59.272 58.200 0.040 0.000 0.908 313 S CB 0.309 63.531 63.200 0.038 0.000 0.809 313 S HN 1.415 nan 8.310 nan 0.000 0.491 314 G N 2.414 111.245 108.800 0.052 0.000 3.639 314 G HA2 -0.333 3.628 3.960 0.001 0.000 0.224 314 G HA3 -0.333 3.628 3.960 0.001 0.000 0.224 314 G C 0.052 174.977 174.900 0.041 0.000 1.339 314 G CA 0.658 45.784 45.100 0.045 0.000 0.933 314 G HN 0.622 nan 8.290 nan 0.000 0.568 315 K N 1.759 122.180 120.400 0.034 0.000 2.248 315 K HA 0.541 4.862 4.320 0.001 0.000 0.281 315 K C 0.836 177.458 176.600 0.037 0.000 1.054 315 K CA 0.122 56.429 56.287 0.033 0.000 0.903 315 K CB 1.472 33.987 32.500 0.024 0.000 1.077 315 K HN 0.443 nan 8.250 nan 0.000 0.474 316 G N 1.467 110.296 108.800 0.048 0.000 2.940 316 G HA2 0.410 4.371 3.960 0.001 0.000 0.164 316 G HA3 0.410 4.371 3.960 0.001 0.000 0.164 316 G C -0.948 173.998 174.900 0.076 0.000 1.326 316 G CA -0.359 44.775 45.100 0.056 0.000 1.020 316 G HN 0.406 nan 8.290 nan 0.000 0.586 317 V N -0.871 119.112 119.914 0.116 0.000 2.919 317 V HA 0.755 4.875 4.120 0.001 0.000 0.316 317 V C -0.186 176.058 176.094 0.250 0.000 1.077 317 V CA -0.458 61.934 62.300 0.155 0.000 0.977 317 V CB 2.123 34.048 31.823 0.171 0.000 1.039 317 V HN 0.790 nan 8.190 nan 0.000 0.441 318 S N 2.690 118.551 115.700 0.268 0.000 2.798 318 S HA 0.799 5.269 4.470 0.001 0.000 0.312 318 S C -1.394 173.443 174.600 0.395 0.000 1.122 318 S CA -0.314 58.122 58.200 0.393 0.000 0.949 318 S CB 1.536 64.936 63.200 0.333 0.000 1.235 318 S HN 0.500 nan 8.310 nan 0.000 0.552 319 F N 1.244 121.177 119.950 -0.028 0.000 2.538 319 F HA 0.464 4.992 4.527 0.001 0.000 0.325 319 F C 0.371 175.832 175.800 -0.564 0.000 1.066 319 F CA -0.962 56.902 58.000 -0.228 0.000 0.946 319 F CB 1.383 40.288 39.000 -0.158 0.000 1.199 319 F HN 0.414 nan 8.300 nan 0.000 0.473 320 Q N 3.032 122.341 119.800 -0.818 0.000 2.314 320 Q HA 0.405 4.746 4.340 0.001 0.000 0.257 320 Q C -1.448 174.197 176.000 -0.592 0.000 0.975 320 Q CA -0.748 54.277 55.803 -1.298 0.000 0.933 320 Q CB 1.145 28.957 28.738 -1.544 0.000 1.195 320 Q HN 0.683 nan 8.270 nan 0.000 0.426 321 L N 5.025 125.967 121.223 -0.469 0.000 2.307 321 L HA 0.494 4.834 4.340 0.001 0.000 0.282 321 L C -1.396 175.284 176.870 -0.316 0.000 1.051 321 L CA -0.296 54.377 54.840 -0.279 0.000 0.804 321 L CB 1.757 43.720 42.059 -0.160 0.000 1.197 321 L HN 0.428 nan 8.230 nan 0.000 0.431 322 V N 5.116 124.830 119.914 -0.333 0.000 2.525 322 V HA 0.478 4.599 4.120 0.001 0.000 0.299 322 V C -0.516 175.399 176.094 -0.299 0.000 1.034 322 V CA -0.828 61.193 62.300 -0.464 0.000 0.863 322 V CB 1.584 32.764 31.823 -1.072 0.000 0.999 322 V HN 0.774 nan 8.190 nan 0.000 0.423 323 K N 4.621 124.890 120.400 -0.218 0.000 2.358 323 K HA 0.758 5.079 4.320 0.001 0.000 0.260 323 K C -1.974 174.549 176.600 -0.128 0.000 0.956 323 K CA -0.625 55.583 56.287 -0.131 0.000 0.834 323 K CB 1.578 34.029 32.500 -0.083 0.000 1.102 323 K HN 0.496 nan 8.250 nan 0.000 0.431 324 L N 2.647 123.805 121.223 -0.109 0.000 2.386 324 L HA 0.525 4.865 4.340 0.001 0.000 0.271 324 L C 0.151 176.970 176.870 -0.085 0.000 0.993 324 L CA -0.248 54.535 54.840 -0.094 0.000 0.819 324 L CB 2.072 44.075 42.059 -0.093 0.000 1.294 324 L HN 0.804 nan 8.230 nan 0.000 0.414 325 G N 0.798 109.557 108.800 -0.067 0.000 2.448 325 G HA2 0.378 4.339 3.960 0.001 0.000 0.285 325 G HA3 0.378 4.339 3.960 0.001 0.000 0.285 325 G C 0.684 175.482 174.900 -0.169 0.000 1.176 325 G CA -0.307 44.754 45.100 -0.064 0.000 0.852 325 G HN 0.540 nan 8.290 nan 0.000 0.530 326 V N 0.808 120.546 119.914 -0.295 0.000 3.383 326 V HA 0.127 4.247 4.120 0.001 0.000 0.272 326 V C -0.286 175.229 176.094 -0.964 0.000 1.181 326 V CA 0.282 62.194 62.300 -0.646 0.000 1.171 326 V CB -1.067 30.305 31.823 -0.750 0.000 0.800 326 V HN 0.501 nan 8.190 nan 0.000 0.515 327 W N 0.415 121.678 121.300 -0.063 0.000 2.756 327 W HA 0.434 5.094 4.660 0.001 0.000 0.333 327 W C -0.039 176.459 176.519 -0.035 0.000 1.025 327 W CA -0.980 56.336 57.345 -0.048 0.000 1.246 327 W CB 0.907 30.344 29.460 -0.037 0.000 1.358 327 W HN -0.208 nan 8.180 nan 0.000 0.444 328 K N 2.829 123.342 120.400 0.187 0.000 2.569 328 K HA 0.166 4.487 4.320 0.001 0.000 0.280 328 K C 0.091 176.754 176.600 0.106 0.000 0.984 328 K CA 1.107 57.456 56.287 0.104 0.000 1.064 328 K CB 0.362 32.918 32.500 0.092 0.000 0.866 328 K HN 0.547 nan 8.250 nan 0.000 0.492 329 S N 2.692 118.428 115.700 0.060 0.000 2.567 329 S HA 0.267 4.738 4.470 0.001 0.000 0.270 329 S C -2.576 172.036 174.600 0.021 0.000 1.152 329 S CA -1.235 56.993 58.200 0.046 0.000 0.835 329 S CB 1.747 64.980 63.200 0.055 0.000 1.115 329 S HN 0.449 nan 8.310 nan 0.000 0.459 330 P HA 0.042 nan 4.420 nan 0.000 0.228 330 P C 1.205 178.506 177.300 0.001 0.000 1.151 330 P CA 0.958 64.062 63.100 0.006 0.000 0.770 330 P CB -0.019 31.685 31.700 0.006 0.000 0.786 331 T N -1.349 113.207 114.554 0.003 0.000 3.055 331 T HA -0.029 4.322 4.350 0.001 0.000 0.265 331 T C 0.371 175.062 174.700 -0.014 0.000 1.111 331 T CA 0.181 62.279 62.100 -0.003 0.000 1.118 331 T CB -0.924 67.946 68.868 0.003 0.000 0.909 331 T HN -0.021 nan 8.240 nan 0.000 0.501 332 D N 2.803 123.193 120.400 -0.017 0.000 2.520 332 D HA 0.219 4.859 4.640 0.001 0.000 0.243 332 D C 0.310 176.583 176.300 -0.047 0.000 1.160 332 D CA 0.573 54.550 54.000 -0.038 0.000 0.877 332 D CB 0.438 41.214 40.800 -0.039 0.000 1.150 332 D HN 0.573 nan 8.370 nan 0.000 0.494 333 M N 0.634 120.196 119.600 -0.064 0.000 2.812 333 M HA 0.584 5.065 4.480 0.001 0.000 0.285 333 M C -1.023 175.220 176.300 -0.095 0.000 1.216 333 M CA -0.925 54.338 55.300 -0.061 0.000 0.749 333 M CB 2.548 35.123 32.600 -0.043 0.000 1.756 333 M HN 0.099 nan 8.290 nan 0.000 0.439 334 Q N 0.498 120.254 119.800 -0.074 0.000 2.403 334 Q HA 0.559 4.899 4.340 0.001 0.000 0.267 334 Q C -2.199 173.772 176.000 -0.048 0.000 0.991 334 Q CA -0.321 55.421 55.803 -0.102 0.000 0.906 334 Q CB 2.389 31.076 28.738 -0.085 0.000 1.422 334 Q HN 0.993 nan 8.270 nan 0.000 0.400 335 S N 2.395 118.038 115.700 -0.095 0.000 2.547 335 S HA 0.624 5.095 4.470 0.001 0.000 0.270 335 S C -2.155 172.375 174.600 -0.117 0.000 1.150 335 S CA -0.448 57.745 58.200 -0.011 0.000 0.850 335 S CB 0.906 64.107 63.200 0.002 0.000 1.118 335 S HN 0.590 nan 8.310 nan 0.000 0.461 336 W N 4.226 125.521 121.300 -0.009 0.000 1.978 336 W HA 0.387 5.048 4.660 0.001 0.000 0.373 336 W C 0.332 176.863 176.519 0.019 0.000 0.813 336 W CA -0.680 56.665 57.345 0.001 0.000 1.571 336 W CB 0.465 29.916 29.460 -0.015 0.000 1.746 336 W HN 0.551 nan 8.180 nan 0.000 0.302 337 V N 2.084 122.035 119.914 0.062 0.000 2.529 337 V HA 0.268 4.389 4.120 0.001 0.000 0.292 337 V C -2.109 174.042 176.094 0.096 0.000 1.028 337 V CA -2.164 60.169 62.300 0.055 0.000 1.074 337 V CB 0.090 31.907 31.823 -0.010 0.000 0.958 337 V HN 0.108 nan 8.190 nan 0.000 0.481 338 P HA 0.285 nan 4.420 nan 0.000 0.272 338 P C -0.654 176.672 177.300 0.042 0.000 1.240 338 P CA -0.498 62.659 63.100 0.095 0.000 0.791 338 P CB 0.527 32.269 31.700 0.070 0.000 0.978 339 L N 1.897 123.154 121.223 0.056 0.000 2.270 339 L HA 0.240 4.581 4.340 0.001 0.000 0.286 339 L C 0.239 177.096 176.870 -0.022 0.000 1.059 339 L CA -0.196 54.630 54.840 -0.022 0.000 0.839 339 L CB -0.402 41.679 42.059 0.036 0.000 1.221 339 L HN 0.267 nan 8.230 nan 0.000 0.431 340 S N 3.149 118.822 115.700 -0.044 0.000 3.225 340 S HA -0.047 4.424 4.470 0.001 0.000 0.378 340 S C 0.530 175.113 174.600 -0.028 0.000 1.190 340 S CA 0.424 58.605 58.200 -0.032 0.000 1.104 340 S CB -0.499 62.676 63.200 -0.042 0.000 0.795 340 S HN 0.750 nan 8.310 nan 0.000 0.517 341 T N 1.806 116.356 114.554 -0.007 0.000 3.332 341 T HA 0.333 4.684 4.350 0.001 0.000 0.385 341 T C 0.114 174.822 174.700 0.013 0.000 1.695 341 T CA -0.522 61.580 62.100 0.004 0.000 1.397 341 T CB 0.614 69.496 68.868 0.024 0.000 1.100 341 T HN 0.698 nan 8.240 nan 0.000 0.669 342 D N 0.856 121.255 120.400 -0.001 0.000 2.440 342 D HA 0.092 4.733 4.640 0.001 0.000 0.216 342 D C -0.392 175.911 176.300 0.004 0.000 1.150 342 D CA -0.238 53.762 54.000 0.001 0.000 0.832 342 D CB 0.460 41.253 40.800 -0.011 0.000 0.992 342 D HN 0.542 nan 8.370 nan 0.000 0.502 343 D N 1.088 121.493 120.400 0.008 0.000 2.386 343 D HA 0.182 4.822 4.640 0.001 0.000 0.247 343 D C -2.340 173.987 176.300 0.045 0.000 1.336 343 D CA -1.536 52.473 54.000 0.014 0.000 0.976 343 D CB 1.915 42.704 40.800 -0.019 0.000 1.257 343 D HN -0.203 nan 8.370 nan 0.000 0.570 344 P HA 0.033 nan 4.420 nan 0.000 0.261 344 P C 0.183 177.564 177.300 0.134 0.000 1.650 344 P CA 0.048 63.268 63.100 0.200 0.000 0.846 344 P CB 0.411 32.272 31.700 0.269 0.000 1.758 345 V N -0.878 119.070 119.914 0.057 0.000 3.250 345 V HA 0.120 4.241 4.120 0.001 0.000 0.240 345 V C 1.268 177.360 176.094 -0.003 0.000 1.275 345 V CA 0.153 62.477 62.300 0.040 0.000 1.206 345 V CB 0.136 31.982 31.823 0.037 0.000 0.976 345 V HN 0.043 nan 8.190 nan 0.000 0.467 346 I N 2.336 122.885 120.570 -0.035 0.000 2.406 346 I HA 0.068 4.239 4.170 0.001 0.000 0.293 346 I C 1.368 177.435 176.117 -0.084 0.000 1.101 346 I CA 0.304 61.564 61.300 -0.067 0.000 1.334 346 I CB 0.704 38.655 38.000 -0.083 0.000 1.421 346 I HN 0.205 nan 8.210 nan 0.000 0.513 347 D N 6.333 126.686 120.400 -0.078 0.000 2.084 347 D HA -0.041 4.600 4.640 0.001 0.000 0.199 347 D C 0.658 176.883 176.300 -0.126 0.000 0.981 347 D CA 1.257 55.194 54.000 -0.105 0.000 0.841 347 D CB 0.450 41.214 40.800 -0.061 0.000 0.997 347 D HN 0.628 nan 8.370 nan 0.000 0.454 348 R N -1.019 119.416 120.500 -0.109 0.000 2.663 348 R HA 0.425 4.766 4.340 0.001 0.000 0.267 348 R C -1.450 174.722 176.300 -0.212 0.000 1.038 348 R CA -0.852 55.134 56.100 -0.190 0.000 0.886 348 R CB 0.537 30.672 30.300 -0.275 0.000 1.249 348 R HN 0.003 nan 8.270 nan 0.000 0.463 349 L N 2.058 123.120 121.223 -0.268 0.000 2.307 349 L HA 0.440 4.781 4.340 0.001 0.000 0.282 349 L C -0.913 175.754 176.870 -0.339 0.000 1.051 349 L CA -0.900 53.823 54.840 -0.196 0.000 0.804 349 L CB 0.888 42.875 42.059 -0.120 0.000 1.197 349 L HN 0.596 nan 8.230 nan 0.000 0.431 350 Y N 3.531 123.852 120.300 0.035 0.000 2.837 350 Y HA 0.393 4.944 4.550 0.001 0.000 0.356 350 Y C 0.170 176.160 175.900 0.151 0.000 1.035 350 Y CA -0.496 57.678 58.100 0.124 0.000 1.165 350 Y CB 0.544 39.156 38.460 0.253 0.000 1.147 350 Y HN 0.389 nan 8.280 nan 0.000 0.628 351 L N 1.057 122.377 121.223 0.161 0.000 2.472 351 L HA 0.328 4.668 4.340 0.001 0.000 0.260 351 L C 1.001 178.108 176.870 0.395 0.000 1.209 351 L CA 0.447 55.421 54.840 0.224 0.000 0.817 351 L CB 0.905 43.002 42.059 0.064 0.000 1.106 351 L HN 0.635 nan 8.230 nan 0.000 0.479 352 S N -1.506 114.569 115.700 0.626 0.000 6.019 352 S HA 0.070 4.540 4.470 0.001 0.000 0.113 352 S C 0.014 174.576 174.600 -0.063 0.000 1.136 352 S CA -0.022 58.260 58.200 0.137 0.000 1.404 352 S CB 0.565 63.764 63.200 -0.002 0.000 2.048 352 S HN 0.473 nan 8.310 nan 0.000 0.602 353 S N 1.749 117.137 115.700 -0.520 0.000 2.776 353 S HA 0.609 5.080 4.470 0.001 0.000 0.284 353 S C -2.012 172.154 174.600 -0.723 0.000 1.160 353 S CA -0.543 57.429 58.200 -0.380 0.000 1.051 353 S CB 0.408 63.492 63.200 -0.194 0.000 1.037 353 S HN 0.592 nan 8.310 nan 0.000 0.485 354 H N 3.956 123.057 119.070 0.052 0.000 2.924 354 H HA 0.395 4.952 4.556 0.001 0.000 0.333 354 H C -0.356 175.081 175.328 0.182 0.000 0.979 354 H CA -0.785 55.322 56.048 0.097 0.000 1.326 354 H CB 1.359 31.168 29.762 0.077 0.000 1.600 354 H HN 0.660 nan 8.280 nan 0.000 0.520 355 R N 1.806 122.452 120.500 0.243 0.000 2.393 355 R HA 0.669 5.009 4.340 0.001 0.000 0.315 355 R C -0.602 175.754 176.300 0.094 0.000 0.952 355 R CA -0.808 55.434 56.100 0.235 0.000 0.842 355 R CB 1.690 32.055 30.300 0.107 0.000 1.163 355 R HN 0.569 nan 8.270 nan 0.000 0.450 356 G N 1.448 110.263 108.800 0.026 0.000 2.971 356 G HA2 0.598 4.558 3.960 0.001 0.000 0.235 356 G HA3 0.598 4.558 3.960 0.001 0.000 0.235 356 G C -0.653 173.969 174.900 -0.464 0.000 1.351 356 G CA -0.359 44.468 45.100 -0.455 0.000 1.039 356 G HN 0.647 nan 8.290 nan 0.000 0.563 357 V N -2.278 117.308 119.914 -0.547 0.000 2.962 357 V HA 0.767 4.887 4.120 0.001 0.000 0.313 357 V C -0.833 175.046 176.094 -0.359 0.000 1.099 357 V CA -1.131 60.968 62.300 -0.335 0.000 0.971 357 V CB 1.820 33.563 31.823 -0.133 0.000 1.028 357 V HN 0.593 nan 8.190 nan 0.000 0.430 358 I N 3.919 124.364 120.570 -0.208 0.000 2.330 358 I HA 0.792 4.963 4.170 0.001 0.000 0.289 358 I C 0.218 176.306 176.117 -0.048 0.000 1.001 358 I CA -0.484 60.719 61.300 -0.160 0.000 1.193 358 I CB 1.454 39.375 38.000 -0.131 0.000 1.345 358 I HN 0.985 nan 8.210 nan 0.000 0.461 359 A N 4.319 127.138 122.820 -0.002 0.000 2.381 359 A HA 0.543 4.863 4.320 0.001 0.000 0.299 359 A C -0.292 177.332 177.584 0.065 0.000 1.049 359 A CA -0.465 51.611 52.037 0.065 0.000 0.715 359 A CB 1.012 20.110 19.000 0.163 0.000 1.222 359 A HN 0.854 nan 8.150 nan 0.000 0.428 360 D N 2.936 123.362 120.400 0.043 0.000 2.956 360 D HA -0.199 4.441 4.640 0.001 0.000 0.240 360 D C 0.248 176.560 176.300 0.019 0.000 1.141 360 D CA 1.351 55.371 54.000 0.033 0.000 0.820 360 D CB -1.580 39.250 40.800 0.050 0.000 0.988 360 D HN 0.767 nan 8.370 nan 0.000 0.417 361 N N 0.492 119.194 118.700 0.003 0.000 2.701 361 N HA -0.296 4.444 4.740 0.001 0.000 0.257 361 N C -0.553 174.949 175.510 -0.014 0.000 0.969 361 N CA 1.519 54.563 53.050 -0.009 0.000 0.786 361 N CB -0.332 38.152 38.487 -0.006 0.000 0.917 361 N HN 0.751 nan 8.380 nan 0.000 0.541 362 Q N -0.517 119.269 119.800 -0.024 0.000 2.315 362 Q HA 0.576 4.917 4.340 0.001 0.000 0.273 362 Q C -1.512 174.410 176.000 -0.131 0.000 1.053 362 Q CA -0.571 55.211 55.803 -0.036 0.000 0.817 362 Q CB 1.771 30.521 28.738 0.021 0.000 1.326 362 Q HN 0.273 nan 8.270 nan 0.000 0.423 363 A N 4.515 127.210 122.820 -0.209 0.000 2.412 363 A HA 0.444 4.765 4.320 0.001 0.000 0.334 363 A C -0.787 176.367 177.584 -0.717 0.000 1.419 363 A CA -0.651 51.053 52.037 -0.555 0.000 0.930 363 A CB 0.249 18.893 19.000 -0.595 0.000 1.149 363 A HN 0.494 nan 8.150 nan 0.000 0.515 364 K N 2.086 122.069 120.400 -0.695 0.000 2.143 364 K HA 0.471 4.791 4.320 0.001 0.000 0.272 364 K C -1.041 175.143 176.600 -0.692 0.000 1.001 364 K CA -0.202 55.760 56.287 -0.542 0.000 0.915 364 K CB 1.427 33.579 32.500 -0.581 0.000 1.047 364 K HN 0.721 nan 8.250 nan 0.000 0.458 365 W N -0.370 120.820 121.300 -0.184 0.000 3.217 365 W HA 0.442 5.102 4.660 0.001 0.000 0.323 365 W C -1.138 175.312 176.519 -0.115 0.000 1.216 365 W CA -0.863 56.399 57.345 -0.138 0.000 1.194 365 W CB 2.475 31.873 29.460 -0.103 0.000 1.397 365 W HN 0.621 nan 8.180 nan 0.000 0.537 366 A N 2.547 125.474 122.820 0.179 0.000 2.319 366 A HA 0.793 5.114 4.320 0.001 0.000 0.310 366 A C -0.944 176.743 177.584 0.172 0.000 1.152 366 A CA -0.559 51.566 52.037 0.145 0.000 0.783 366 A CB 1.272 20.352 19.000 0.133 0.000 1.184 366 A HN 0.727 nan 8.150 nan 0.000 0.474 367 V N -0.244 119.713 119.914 0.073 0.000 3.007 367 V HA 0.786 4.907 4.120 0.001 0.000 0.311 367 V C -3.275 172.867 176.094 0.081 0.000 1.120 367 V CA -2.756 59.539 62.300 -0.008 0.000 0.980 367 V CB 1.941 33.536 31.823 -0.380 0.000 1.033 367 V HN 0.553 nan 8.190 nan 0.000 0.429 368 P HA 0.343 nan 4.420 nan 0.000 0.266 368 P C -0.534 176.864 177.300 0.163 0.000 1.215 368 P CA 0.591 63.783 63.100 0.154 0.000 0.763 368 P CB 0.513 32.406 31.700 0.320 0.000 0.806 369 T N 2.358 116.950 114.554 0.064 0.000 2.812 369 T HA 0.405 4.756 4.350 0.001 0.000 0.282 369 T C -0.027 174.678 174.700 0.008 0.000 0.990 369 T CA -0.581 61.542 62.100 0.039 0.000 0.960 369 T CB 0.641 69.487 68.868 -0.035 0.000 0.948 369 T HN 0.300 nan 8.240 nan 0.000 0.438 370 T N 2.440 117.036 114.554 0.071 0.000 2.910 370 T HA 0.673 5.023 4.350 0.001 0.000 0.293 370 T C 0.091 174.788 174.700 -0.006 0.000 1.015 370 T CA -0.911 61.207 62.100 0.030 0.000 1.094 370 T CB 1.000 69.921 68.868 0.088 0.000 0.968 370 T HN 0.481 nan 8.240 nan 0.000 0.521 371 R N 0.364 120.876 120.500 0.020 0.000 2.888 371 R HA 0.536 4.877 4.340 0.001 0.000 0.266 371 R C 1.423 177.777 176.300 0.090 0.000 1.020 371 R CA -0.684 55.439 56.100 0.039 0.000 0.963 371 R CB 1.323 31.641 30.300 0.031 0.000 1.197 371 R HN 0.862 nan 8.270 nan 0.000 0.481 372 T N -3.049 111.553 114.554 0.080 0.000 3.014 372 T HA -0.099 4.251 4.350 0.001 0.000 0.263 372 T C 0.938 175.699 174.700 0.103 0.000 1.078 372 T CA 0.828 62.974 62.100 0.076 0.000 1.135 372 T CB -0.116 68.790 68.868 0.063 0.000 0.895 372 T HN 0.714 nan 8.240 nan 0.000 0.480 373 D N 2.368 122.862 120.400 0.156 0.000 2.434 373 D HA -0.027 4.614 4.640 0.001 0.000 0.232 373 D C 0.850 177.240 176.300 0.149 0.000 1.166 373 D CA -0.040 54.047 54.000 0.145 0.000 0.830 373 D CB -0.096 40.802 40.800 0.163 0.000 0.960 373 D HN 0.524 nan 8.370 nan 0.000 0.497 374 D N 2.208 122.720 120.400 0.187 0.000 2.087 374 D HA -0.226 4.414 4.640 0.001 0.000 0.201 374 D C 1.126 177.392 176.300 -0.057 0.000 0.980 374 D CA 0.807 54.876 54.000 0.114 0.000 0.849 374 D CB -0.615 40.303 40.800 0.197 0.000 1.001 374 D HN 0.329 nan 8.370 nan 0.000 0.452 375 K N 0.259 120.655 120.400 -0.006 0.000 3.077 375 K HA 0.218 4.539 4.320 0.001 0.000 0.269 375 K C 0.733 177.327 176.600 -0.011 0.000 0.973 375 K CA 0.026 56.310 56.287 -0.004 0.000 1.162 375 K CB -0.012 32.498 32.500 0.017 0.000 1.079 375 K HN 0.202 nan 8.250 nan 0.000 0.456 376 L N -1.392 119.806 121.223 -0.042 0.000 3.699 376 L HA 0.258 4.599 4.340 0.001 0.000 0.344 376 L C 1.106 177.931 176.870 -0.075 0.000 1.196 376 L CA 0.337 55.157 54.840 -0.034 0.000 1.202 376 L CB 0.546 42.604 42.059 -0.002 0.000 1.592 376 L HN 0.170 nan 8.230 nan 0.000 0.631 377 R N -1.381 119.017 120.500 -0.170 0.000 2.582 377 R HA 0.325 4.666 4.340 0.001 0.000 0.285 377 R C 0.672 176.763 176.300 -0.349 0.000 0.940 377 R CA 0.319 56.263 56.100 -0.261 0.000 1.072 377 R CB 0.427 30.514 30.300 -0.356 0.000 1.527 377 R HN 0.220 nan 8.270 nan 0.000 0.538 378 M N -0.862 118.552 119.600 -0.310 0.000 2.188 378 M HA 0.156 4.637 4.480 0.001 0.000 0.310 378 M C 1.216 177.505 176.300 -0.018 0.000 0.993 378 M CA 0.339 55.515 55.300 -0.206 0.000 1.127 378 M CB 0.526 32.955 32.600 -0.286 0.000 1.927 378 M HN -0.073 nan 8.290 nan 0.000 0.655 379 E N 1.454 121.651 120.200 -0.005 0.000 2.136 379 E HA -0.163 4.188 4.350 0.001 0.000 0.202 379 E C 1.505 178.137 176.600 0.053 0.000 1.019 379 E CA 2.690 59.139 56.400 0.082 0.000 0.819 379 E CB -0.077 29.645 29.700 0.037 0.000 0.739 379 E HN 0.420 nan 8.360 nan 0.000 0.458 380 T N -0.329 114.226 114.554 0.002 0.000 2.639 380 T HA -0.219 4.131 4.350 0.001 0.000 0.261 380 T C 2.047 176.740 174.700 -0.012 0.000 1.053 380 T CA 1.361 63.451 62.100 -0.017 0.000 1.158 380 T CB -1.093 67.760 68.868 -0.026 0.000 0.863 380 T HN 0.481 nan 8.240 nan 0.000 0.413 381 c N 1.451 120.052 118.600 0.002 0.000 2.367 381 c HA -0.172 4.398 4.570 0.001 0.000 0.276 381 c C 2.327 176.465 174.090 0.080 0.000 1.195 381 c CA 1.093 57.435 56.329 0.021 0.000 1.756 381 c CB -1.652 40.867 42.510 0.014 0.000 2.046 381 c HN 0.506 nan 8.230 nan 0.000 0.453 382 F N 2.013 121.942 119.950 -0.036 0.000 2.011 382 F HA -0.167 4.360 4.527 0.001 0.000 0.296 382 F C 2.486 178.277 175.800 -0.016 0.000 1.144 382 F CA 2.512 60.500 58.000 -0.019 0.000 1.185 382 F CB -1.260 37.723 39.000 -0.029 0.000 0.961 382 F HN 0.304 nan 8.300 nan 0.000 0.485 383 Q N 0.369 119.852 119.800 -0.528 0.000 2.112 383 Q HA -0.246 4.095 4.340 0.001 0.000 0.206 383 Q C 2.216 178.028 176.000 -0.313 0.000 0.987 383 Q CA 1.806 57.250 55.803 -0.598 0.000 0.858 383 Q CB -0.845 27.698 28.738 -0.324 0.000 0.905 383 Q HN 0.599 nan 8.270 nan 0.000 0.420 384 Q N 0.086 119.788 119.800 -0.163 0.000 1.967 384 Q HA -0.174 4.167 4.340 0.001 0.000 0.210 384 Q C 2.105 178.055 176.000 -0.083 0.000 1.005 384 Q CA 1.916 57.662 55.803 -0.094 0.000 0.862 384 Q CB -0.665 28.043 28.738 -0.050 0.000 0.939 384 Q HN 0.405 nan 8.270 nan 0.000 0.417 385 A N 0.594 123.386 122.820 -0.047 0.000 1.869 385 A HA -0.259 4.062 4.320 0.001 0.000 0.218 385 A C 2.502 180.062 177.584 -0.040 0.000 1.203 385 A CA 2.043 54.077 52.037 -0.004 0.000 0.638 385 A CB -1.519 17.518 19.000 0.062 0.000 0.831 385 A HN 0.669 nan 8.150 nan 0.000 0.450 386 c N -1.166 117.359 118.600 -0.125 0.000 2.402 386 c HA -0.015 4.555 4.570 0.001 0.000 0.301 386 c C 1.993 175.994 174.090 -0.149 0.000 1.455 386 c CA 1.580 57.803 56.329 -0.178 0.000 1.787 386 c CB -1.433 40.775 42.510 -0.502 0.000 1.726 386 c HN 0.447 nan 8.230 nan 0.000 0.565 387 K N -0.196 120.131 120.400 -0.121 0.000 2.373 387 K HA 0.324 4.645 4.320 0.001 0.000 0.202 387 K C 1.232 177.811 176.600 -0.034 0.000 1.025 387 K CA 0.623 56.861 56.287 -0.082 0.000 1.115 387 K CB 0.359 32.804 32.500 -0.091 0.000 0.858 387 K HN 0.588 nan 8.250 nan 0.000 0.525 388 G N 0.728 109.520 108.800 -0.014 0.000 2.583 388 G HA2 -0.018 3.942 3.960 0.001 0.000 0.214 388 G HA3 -0.018 3.942 3.960 0.001 0.000 0.214 388 G C 0.914 175.843 174.900 0.048 0.000 2.072 388 G CA 0.054 45.165 45.100 0.018 0.000 0.745 388 G HN 0.232 nan 8.290 nan 0.000 0.762 389 K N 0.297 120.743 120.400 0.077 0.000 2.128 389 K HA 0.192 4.513 4.320 0.001 0.000 0.202 389 K C 1.847 178.552 176.600 0.174 0.000 1.050 389 K CA 0.781 57.150 56.287 0.135 0.000 0.966 389 K CB -0.418 32.174 32.500 0.153 0.000 0.759 389 K HN 0.459 nan 8.250 nan 0.000 0.454 390 I N 0.199 120.826 120.570 0.095 0.000 3.309 390 I HA 0.122 4.292 4.170 0.001 0.000 0.287 390 I C 1.337 177.403 176.117 -0.085 0.000 1.221 390 I CA -0.264 61.015 61.300 -0.035 0.000 1.575 390 I CB 0.148 38.150 38.000 0.002 0.000 1.254 390 I HN 0.115 nan 8.210 nan 0.000 0.600 391 Q N 3.314 123.093 119.800 -0.035 0.000 1.965 391 Q HA -0.083 4.258 4.340 0.001 0.000 0.200 391 Q C 2.258 178.219 176.000 -0.066 0.000 0.981 391 Q CA 2.685 58.469 55.803 -0.033 0.000 0.834 391 Q CB -0.330 28.417 28.738 0.016 0.000 0.900 391 Q HN 0.700 nan 8.270 nan 0.000 0.426 392 A N -0.178 122.599 122.820 -0.073 0.000 2.178 392 A HA -0.073 4.248 4.320 0.001 0.000 0.218 392 A C 1.840 179.327 177.584 -0.162 0.000 1.157 392 A CA 1.073 53.066 52.037 -0.072 0.000 0.689 392 A CB -0.538 18.480 19.000 0.030 0.000 0.787 392 A HN 0.443 nan 8.150 nan 0.000 0.465 393 L N -0.464 120.570 121.223 -0.315 0.000 2.418 393 L HA 0.045 4.386 4.340 0.001 0.000 0.218 393 L C 1.314 178.151 176.870 -0.056 0.000 1.125 393 L CA 1.214 55.897 54.840 -0.261 0.000 0.835 393 L CB -0.005 41.810 42.059 -0.406 0.000 0.953 393 L HN 0.608 nan 8.230 nan 0.000 0.454 394 c N -0.254 118.333 118.600 -0.021 0.000 2.987 394 c HA 0.690 5.261 4.570 0.001 0.000 0.262 394 c C -0.269 173.846 174.090 0.041 0.000 1.531 394 c CA -0.601 55.773 56.329 0.075 0.000 1.571 394 c CB -1.469 41.124 42.510 0.138 0.000 2.381 394 c HN 0.571 nan 8.230 nan 0.000 0.519 395 E N 0.431 120.646 120.200 0.025 0.000 2.522 395 E HA 0.309 4.659 4.350 0.001 0.000 0.315 395 E C -0.900 175.712 176.600 0.019 0.000 0.917 395 E CA -0.733 55.678 56.400 0.019 0.000 0.796 395 E CB 0.004 29.707 29.700 0.004 0.000 1.323 395 E HN 0.199 nan 8.360 nan 0.000 0.397 396 N N 1.638 120.353 118.700 0.024 0.000 2.753 396 N HA -0.101 4.640 4.740 0.001 0.000 0.252 396 N C -2.543 172.986 175.510 0.032 0.000 1.071 396 N CA 0.823 53.888 53.050 0.025 0.000 0.690 396 N CB -1.320 37.180 38.487 0.021 0.000 0.906 396 N HN 0.556 nan 8.380 nan 0.000 0.552 397 P HA 0.034 nan 4.420 nan 0.000 0.278 397 P C 0.241 177.584 177.300 0.072 0.000 1.268 397 P CA 0.236 63.374 63.100 0.063 0.000 0.813 397 P CB 0.402 32.139 31.700 0.061 0.000 1.180 398 E N -3.024 117.244 120.200 0.114 0.000 2.835 398 E HA 0.138 4.489 4.350 0.001 0.000 0.183 398 E C -1.235 175.486 176.600 0.201 0.000 0.934 398 E CA -0.174 56.292 56.400 0.111 0.000 1.324 398 E CB 0.394 30.134 29.700 0.067 0.000 1.038 398 E HN 0.320 nan 8.360 nan 0.000 0.481 399 W N 0.828 122.113 121.300 -0.024 0.000 2.957 399 W HA 0.612 5.272 4.660 0.001 0.000 0.336 399 W C 0.532 176.999 176.519 -0.087 0.000 1.087 399 W CA -0.727 56.589 57.345 -0.048 0.000 1.235 399 W CB 0.842 30.268 29.460 -0.056 0.000 1.399 399 W HN -0.029 nan 8.180 nan 0.000 0.480 400 A N 6.760 129.605 122.820 0.043 0.000 1.849 400 A HA -0.145 4.176 4.320 0.001 0.000 0.216 400 A C -0.552 176.687 177.584 -0.575 0.000 1.225 400 A CA 2.724 54.630 52.037 -0.220 0.000 0.653 400 A CB -1.952 17.010 19.000 -0.063 0.000 0.844 400 A HN 0.539 nan 8.150 nan 0.000 0.453 401 P HA -0.251 nan 4.420 nan 0.000 0.229 401 P C 1.417 178.289 177.300 -0.713 0.000 1.147 401 P CA 1.962 64.381 63.100 -1.137 0.000 0.949 401 P CB -0.278 30.285 31.700 -1.893 0.000 0.786 402 L N -1.595 119.214 121.223 -0.690 0.000 2.141 402 L HA -0.158 4.182 4.340 0.001 0.000 0.209 402 L C 2.329 179.078 176.870 -0.202 0.000 1.094 402 L CA 1.523 56.135 54.840 -0.380 0.000 0.763 402 L CB -0.769 41.154 42.059 -0.227 0.000 0.908 402 L HN 0.005 nan 8.230 nan 0.000 0.437 403 K N -0.051 120.242 120.400 -0.178 0.000 2.097 403 K HA -0.195 4.125 4.320 0.001 0.000 0.205 403 K C 1.414 177.961 176.600 -0.089 0.000 1.050 403 K CA 1.481 57.715 56.287 -0.089 0.000 0.938 403 K CB -0.187 32.275 32.500 -0.064 0.000 0.718 403 K HN 0.132 nan 8.250 nan 0.000 0.442 404 D N 0.584 120.900 120.400 -0.139 0.000 2.352 404 D HA -0.063 4.577 4.640 0.001 0.000 0.232 404 D C -0.404 175.838 176.300 -0.097 0.000 1.055 404 D CA 0.230 54.167 54.000 -0.105 0.000 0.891 404 D CB -0.061 40.670 40.800 -0.114 0.000 0.897 404 D HN 0.108 nan 8.370 nan 0.000 0.529 405 N N 0.587 119.223 118.700 -0.106 0.000 2.776 405 N HA -0.180 4.560 4.740 0.001 0.000 0.250 405 N C -0.787 174.653 175.510 -0.116 0.000 1.112 405 N CA 0.517 53.526 53.050 -0.068 0.000 0.733 405 N CB -0.802 37.679 38.487 -0.010 0.000 1.097 405 N HN 0.318 nan 8.380 nan 0.000 0.558 406 R N 0.589 120.963 120.500 -0.209 0.000 2.532 406 R HA 0.508 4.849 4.340 0.001 0.000 0.295 406 R C 0.585 176.692 176.300 -0.321 0.000 0.968 406 R CA -0.649 55.326 56.100 -0.209 0.000 0.916 406 R CB 1.070 31.258 30.300 -0.186 0.000 1.124 406 R HN 0.143 nan 8.270 nan 0.000 0.463 407 I N 5.181 125.615 120.570 -0.227 0.000 2.291 407 I HA 0.196 4.366 4.170 0.001 0.000 0.290 407 I C -1.900 174.165 176.117 -0.086 0.000 1.050 407 I CA -1.931 59.222 61.300 -0.246 0.000 1.245 407 I CB 1.288 39.200 38.000 -0.146 0.000 1.405 407 I HN 0.142 nan 8.210 nan 0.000 0.478 408 P HA 0.035 nan 4.420 nan 0.000 0.269 408 P C -0.553 176.716 177.300 -0.051 0.000 1.217 408 P CA -0.026 62.986 63.100 -0.148 0.000 0.783 408 P CB 0.749 32.318 31.700 -0.219 0.000 0.898 409 S N 0.803 116.428 115.700 -0.124 0.000 2.599 409 S HA 0.476 4.946 4.470 0.001 0.000 0.287 409 S C -1.366 173.097 174.600 -0.229 0.000 1.105 409 S CA -0.668 57.394 58.200 -0.229 0.000 0.899 409 S CB 0.452 63.370 63.200 -0.471 0.000 1.100 409 S HN 0.219 nan 8.310 nan 0.000 0.482 410 Y N 2.120 122.437 120.300 0.028 0.000 2.620 410 Y HA 0.365 4.915 4.550 0.001 0.000 0.352 410 Y C 1.328 177.310 175.900 0.135 0.000 1.140 410 Y CA 0.208 58.372 58.100 0.107 0.000 1.529 410 Y CB 0.104 38.644 38.460 0.134 0.000 1.321 410 Y HN 0.748 nan 8.280 nan 0.000 0.501 411 G N 1.440 110.331 108.800 0.151 0.000 2.476 411 G HA2 0.521 4.481 3.960 0.001 0.000 0.286 411 G HA3 0.521 4.481 3.960 0.001 0.000 0.286 411 G C -1.184 173.782 174.900 0.109 0.000 1.177 411 G CA -0.494 44.649 45.100 0.072 0.000 0.870 411 G HN 0.320 nan 8.290 nan 0.000 0.528 412 V N 1.806 121.742 119.914 0.037 0.000 2.532 412 V HA 0.238 4.358 4.120 0.001 0.000 0.294 412 V C -0.902 175.199 176.094 0.011 0.000 1.036 412 V CA -0.689 61.644 62.300 0.055 0.000 0.876 412 V CB 1.325 33.223 31.823 0.124 0.000 1.012 412 V HN 0.519 nan 8.190 nan 0.000 0.432 413 L N 4.072 125.313 121.223 0.031 0.000 2.292 413 L HA 0.755 5.095 4.340 0.001 0.000 0.284 413 L C 0.450 177.401 176.870 0.135 0.000 1.065 413 L CA 0.577 55.430 54.840 0.021 0.000 0.806 413 L CB 1.515 43.538 42.059 -0.060 0.000 1.175 413 L HN 0.718 nan 8.230 nan 0.000 0.431 414 S N 1.581 117.334 115.700 0.089 0.000 2.569 414 S HA 0.898 5.368 4.470 0.001 0.000 0.280 414 S C -0.971 173.682 174.600 0.087 0.000 1.111 414 S CA -0.774 57.489 58.200 0.104 0.000 0.887 414 S CB 2.429 65.684 63.200 0.091 0.000 1.095 414 S HN 0.209 nan 8.310 nan 0.000 0.476 415 V N 1.367 121.336 119.914 0.092 0.000 2.686 415 V HA 0.438 4.559 4.120 0.001 0.000 0.306 415 V C -1.164 174.948 176.094 0.030 0.000 1.065 415 V CA -0.775 61.565 62.300 0.067 0.000 0.894 415 V CB 2.043 33.938 31.823 0.120 0.000 1.004 415 V HN 0.919 nan 8.190 nan 0.000 0.424 416 D N 4.524 124.933 120.400 0.015 0.000 2.428 416 D HA 0.306 4.946 4.640 0.001 0.000 0.221 416 D C 0.239 176.540 176.300 0.001 0.000 1.123 416 D CA -0.423 53.580 54.000 0.004 0.000 0.869 416 D CB 1.547 42.347 40.800 -0.001 0.000 1.032 416 D HN 0.499 nan 8.370 nan 0.000 0.506 417 L N 1.502 122.723 121.223 -0.003 0.000 2.888 417 L HA 0.330 4.670 4.340 0.001 0.000 0.237 417 L C 1.293 178.157 176.870 -0.009 0.000 1.288 417 L CA -0.231 54.605 54.840 -0.006 0.000 1.110 417 L CB -0.111 41.943 42.059 -0.009 0.000 1.441 417 L HN 0.014 nan 8.230 nan 0.000 0.474 418 S N 0.327 116.022 115.700 -0.007 0.000 2.425 418 S HA 0.236 4.707 4.470 0.001 0.000 0.225 418 S C 1.108 175.704 174.600 -0.006 0.000 1.024 418 S CA 0.872 59.068 58.200 -0.007 0.000 0.951 418 S CB -0.200 62.996 63.200 -0.007 0.000 0.796 418 S HN 0.568 nan 8.310 nan 0.000 0.498 419 L N -0.203 121.017 121.223 -0.006 0.000 4.696 419 L HA -0.181 4.160 4.340 0.001 0.000 0.398 419 L C 0.995 177.862 176.870 -0.004 0.000 0.971 419 L CA 0.840 55.678 54.840 -0.005 0.000 1.427 419 L CB -2.338 39.718 42.059 -0.005 0.000 1.965 419 L HN 0.175 nan 8.230 nan 0.000 0.593 420 T N -1.479 113.072 114.554 -0.006 0.000 3.057 420 T HA 0.273 4.624 4.350 0.001 0.000 0.254 420 T C 0.892 175.588 174.700 -0.006 0.000 1.094 420 T CA 0.826 62.922 62.100 -0.006 0.000 1.088 420 T CB 0.325 69.188 68.868 -0.008 0.000 0.934 420 T HN 0.400 nan 8.240 nan 0.000 0.497 421 V N -0.757 119.153 119.914 -0.006 0.000 3.352 421 V HA 0.584 4.705 4.120 0.001 0.000 0.299 421 V C -0.996 175.096 176.094 -0.003 0.000 1.228 421 V CA -1.341 60.955 62.300 -0.006 0.000 1.017 421 V CB 1.389 33.207 31.823 -0.008 0.000 1.237 421 V HN 0.080 nan 8.190 nan 0.000 0.472 422 E N 1.397 121.596 120.200 -0.001 0.000 2.081 422 E HA 0.426 4.776 4.350 0.001 0.000 0.281 422 E C -0.913 175.689 176.600 0.004 0.000 0.986 422 E CA -0.517 55.885 56.400 0.003 0.000 0.796 422 E CB 1.424 31.127 29.700 0.005 0.000 1.085 422 E HN 0.530 nan 8.360 nan 0.000 0.398 423 L N 4.208 125.435 121.223 0.006 0.000 2.810 423 L HA -0.120 4.221 4.340 0.001 0.000 0.279 423 L C 0.468 177.342 176.870 0.006 0.000 1.144 423 L CA 1.012 55.855 54.840 0.004 0.000 0.998 423 L CB -0.559 41.503 42.059 0.005 0.000 1.342 423 L HN 0.489 nan 8.230 nan 0.000 0.473 424 K N 4.224 124.623 120.400 -0.002 0.000 2.551 424 K HA 0.538 4.859 4.320 0.001 0.000 0.269 424 K C -1.172 175.411 176.600 -0.028 0.000 0.949 424 K CA -0.808 55.472 56.287 -0.011 0.000 0.849 424 K CB 1.731 34.226 32.500 -0.007 0.000 1.411 424 K HN 0.381 nan 8.250 nan 0.000 0.432 425 I N 3.921 124.452 120.570 -0.066 0.000 2.310 425 I HA 0.233 4.404 4.170 0.001 0.000 0.287 425 I C 0.033 176.093 176.117 -0.094 0.000 1.073 425 I CA -0.688 60.549 61.300 -0.104 0.000 1.216 425 I CB 0.989 38.831 38.000 -0.264 0.000 1.415 425 I HN 0.372 nan 8.210 nan 0.000 0.480 426 K N 4.458 124.829 120.400 -0.048 0.000 2.319 426 K HA 0.368 4.688 4.320 0.001 0.000 0.265 426 K C -0.613 175.951 176.600 -0.060 0.000 1.000 426 K CA -0.219 56.041 56.287 -0.044 0.000 0.943 426 K CB 1.270 33.758 32.500 -0.021 0.000 0.950 426 K HN 0.362 nan 8.250 nan 0.000 0.485 427 I N 1.154 121.680 120.570 -0.073 0.000 2.498 427 I HA 0.429 4.600 4.170 0.001 0.000 0.290 427 I C -1.419 174.626 176.117 -0.120 0.000 1.032 427 I CA -0.215 61.029 61.300 -0.093 0.000 1.073 427 I CB 1.711 39.648 38.000 -0.104 0.000 1.251 427 I HN 0.696 nan 8.210 nan 0.000 0.426 428 A N 4.440 127.162 122.820 -0.163 0.000 2.469 428 A HA 0.939 5.260 4.320 0.001 0.000 0.299 428 A C -1.130 176.226 177.584 -0.380 0.000 1.098 428 A CA -0.530 51.316 52.037 -0.319 0.000 0.737 428 A CB 1.818 20.561 19.000 -0.428 0.000 1.312 428 A HN 0.666 nan 8.150 nan 0.000 0.414 429 S N -0.921 114.476 115.700 -0.505 0.000 2.533 429 S HA 0.764 5.235 4.470 0.001 0.000 0.271 429 S C -0.493 173.999 174.600 -0.180 0.000 1.143 429 S CA 0.195 58.217 58.200 -0.298 0.000 0.891 429 S CB 1.589 64.665 63.200 -0.206 0.000 1.105 429 S HN 2.061 nan 8.310 nan 0.000 0.468 430 G N 2.055 111.028 108.800 0.289 0.000 2.690 430 G HA2 0.684 4.645 3.960 0.001 0.000 0.293 430 G HA3 0.684 4.645 3.960 0.001 0.000 0.293 430 G C -1.675 173.323 174.900 0.164 0.000 1.399 430 G CA -0.621 44.758 45.100 0.466 0.000 0.890 430 G HN 0.529 nan 8.290 nan 0.000 0.485 431 F N 0.028 120.166 119.950 0.313 0.000 2.377 431 F HA 0.716 5.243 4.527 0.001 0.000 0.328 431 F C 1.138 177.130 175.800 0.321 0.000 1.094 431 F CA 0.911 59.072 58.000 0.268 0.000 1.093 431 F CB 2.270 41.371 39.000 0.169 0.000 1.214 431 F HN 0.775 nan 8.300 nan 0.000 0.518 432 G N 0.996 110.175 108.800 0.632 0.000 2.578 432 G HA2 0.413 4.373 3.960 0.001 0.000 0.302 432 G HA3 0.413 4.373 3.960 0.001 0.000 0.302 432 G C -3.158 172.079 174.900 0.562 0.000 1.243 432 G CA -1.073 44.341 45.100 0.523 0.000 0.843 432 G HN 0.237 nan 8.290 nan 0.000 0.486 433 P HA 0.235 nan 4.420 nan 0.000 0.258 433 P C -0.071 177.451 177.300 0.369 0.000 1.172 433 P CA -0.266 63.092 63.100 0.430 0.000 0.762 433 P CB 0.241 32.147 31.700 0.343 0.000 0.764 434 L N 5.069 126.448 121.223 0.260 0.000 2.776 434 L HA -0.140 4.201 4.340 0.001 0.000 0.283 434 L C 0.623 177.573 176.870 0.133 0.000 1.194 434 L CA 1.113 56.056 54.840 0.171 0.000 0.947 434 L CB -0.969 41.202 42.059 0.186 0.000 1.255 434 L HN 0.352 nan 8.230 nan 0.000 0.481 435 I N 3.508 124.106 120.570 0.047 0.000 2.337 435 I HA 0.107 4.277 4.170 0.001 0.000 0.291 435 I C 1.154 177.384 176.117 0.188 0.000 1.046 435 I CA 0.002 61.326 61.300 0.040 0.000 1.324 435 I CB 0.769 38.739 38.000 -0.051 0.000 1.409 435 I HN 0.769 nan 8.210 nan 0.000 0.494 436 T N 1.029 115.679 114.554 0.160 0.000 3.044 436 T HA 0.228 4.579 4.350 0.001 0.000 0.260 436 T C -0.004 174.916 174.700 0.366 0.000 1.019 436 T CA -0.147 62.123 62.100 0.283 0.000 0.921 436 T CB -0.304 68.694 68.868 0.217 0.000 1.053 436 T HN 0.771 nan 8.240 nan 0.000 0.533 437 H N -2.579 116.444 119.070 -0.077 0.000 3.060 437 H HA 0.586 5.143 4.556 0.001 0.000 0.330 437 H C -0.557 174.048 175.328 -1.204 0.000 1.305 437 H CA -0.985 54.682 56.048 -0.635 0.000 1.209 437 H CB 0.861 30.458 29.762 -0.276 0.000 1.913 437 H HN 0.106 nan 8.280 nan 0.000 0.534 438 G N 0.726 108.593 108.800 -1.555 0.000 3.986 438 G HA2 0.383 4.343 3.960 0.001 0.000 0.343 438 G HA3 0.383 4.343 3.960 0.001 0.000 0.343 438 G C -0.290 174.368 174.900 -0.402 0.000 1.413 438 G CA -0.347 44.157 45.100 -0.993 0.000 1.143 438 G HN 0.548 nan 8.290 nan 0.000 0.488 439 S N 0.024 115.639 115.700 -0.141 0.000 2.548 439 S HA 0.516 4.986 4.470 0.001 0.000 0.215 439 S C 1.162 175.700 174.600 -0.103 0.000 0.976 439 S CA 0.352 58.517 58.200 -0.057 0.000 0.908 439 S CB 0.499 63.730 63.200 0.052 0.000 0.781 439 S HN 1.315 nan 8.310 nan 0.000 0.519 440 G N 0.832 109.539 108.800 -0.155 0.000 2.369 440 G HA2 0.334 4.295 3.960 0.001 0.000 0.307 440 G HA3 0.334 4.295 3.960 0.001 0.000 0.307 440 G C -1.694 173.139 174.900 -0.112 0.000 1.327 440 G CA -0.841 44.117 45.100 -0.237 0.000 0.963 440 G HN 0.147 nan 8.290 nan 0.000 0.590 441 M N 1.333 120.881 119.600 -0.086 0.000 2.331 441 M HA 0.333 4.814 4.480 0.001 0.000 0.228 441 M C -2.070 174.325 176.300 0.158 0.000 0.986 441 M CA -0.645 54.735 55.300 0.132 0.000 0.972 441 M CB 1.383 34.153 32.600 0.283 0.000 2.359 441 M HN 0.543 nan 8.290 nan 0.000 0.459 442 D N 4.792 125.261 120.400 0.115 0.000 2.198 442 D HA 0.554 5.194 4.640 0.001 0.000 0.247 442 D C -0.909 175.351 176.300 -0.068 0.000 1.010 442 D CA -0.245 53.758 54.000 0.006 0.000 0.880 442 D CB 2.607 43.407 40.800 -0.001 0.000 1.209 442 D HN 0.561 nan 8.370 nan 0.000 0.451 443 L N 2.017 123.080 121.223 -0.267 0.000 2.322 443 L HA 0.409 4.749 4.340 0.001 0.000 0.281 443 L C -1.175 175.464 176.870 -0.385 0.000 1.014 443 L CA -0.728 53.984 54.840 -0.214 0.000 0.815 443 L CB 0.898 42.800 42.059 -0.261 0.000 1.247 443 L HN 0.316 nan 8.230 nan 0.000 0.421 444 Y N 1.484 121.898 120.300 0.191 0.000 2.545 444 Y HA 0.384 4.935 4.550 0.001 0.000 0.348 444 Y C -0.314 175.773 175.900 0.313 0.000 1.002 444 Y CA -1.153 57.087 58.100 0.233 0.000 1.039 444 Y CB 1.808 40.411 38.460 0.238 0.000 1.271 444 Y HN 0.416 nan 8.280 nan 0.000 0.467 445 K N 0.473 121.099 120.400 0.378 0.000 2.144 445 K HA 0.723 5.044 4.320 0.001 0.000 0.270 445 K C -0.345 176.297 176.600 0.068 0.000 1.005 445 K CA -0.718 55.637 56.287 0.113 0.000 0.932 445 K CB 1.323 33.858 32.500 0.058 0.000 1.021 445 K HN 0.646 nan 8.250 nan 0.000 0.462 446 S N 0.583 116.144 115.700 -0.231 0.000 2.766 446 S HA 0.241 4.711 4.470 0.001 0.000 0.307 446 S C 0.520 174.989 174.600 -0.219 0.000 1.121 446 S CA -1.026 57.050 58.200 -0.205 0.000 0.980 446 S CB 1.017 63.795 63.200 -0.703 0.000 1.159 446 S HN 0.628 nan 8.310 nan 0.000 0.546 447 N N 0.798 119.344 118.700 -0.256 0.000 2.309 447 N HA -0.061 4.679 4.740 0.001 0.000 0.182 447 N C -0.135 175.195 175.510 -0.301 0.000 1.018 447 N CA 0.907 53.794 53.050 -0.272 0.000 0.876 447 N CB -0.588 37.721 38.487 -0.298 0.000 0.972 447 N HN 0.628 nan 8.380 nan 0.000 0.434 448 H N 1.253 120.221 119.070 -0.170 0.000 2.819 448 H HA 0.085 4.642 4.556 0.001 0.000 0.303 448 H C 0.941 176.148 175.328 -0.202 0.000 1.058 448 H CA -0.121 55.821 56.048 -0.178 0.000 1.471 448 H CB 0.496 30.119 29.762 -0.231 0.000 1.480 448 H HN 0.069 nan 8.280 nan 0.000 0.517 449 N N 2.326 121.015 118.700 -0.019 0.000 2.635 449 N HA -0.119 4.622 4.740 0.001 0.000 0.191 449 N C 0.122 175.615 175.510 -0.028 0.000 1.155 449 N CA 0.495 53.518 53.050 -0.045 0.000 0.927 449 N CB 0.359 38.841 38.487 -0.009 0.000 0.976 449 N HN 0.589 nan 8.380 nan 0.000 0.448 450 N N -1.065 117.616 118.700 -0.032 0.000 2.166 450 N HA 0.047 4.788 4.740 0.001 0.000 0.222 450 N C -0.139 175.359 175.510 -0.019 0.000 1.282 450 N CA 0.025 53.156 53.050 0.135 0.000 0.890 450 N CB 1.217 39.817 38.487 0.189 0.000 1.114 450 N HN -0.118 nan 8.380 nan 0.000 0.494 451 V N 1.549 121.313 119.914 -0.250 0.000 2.644 451 V HA 0.350 4.470 4.120 0.001 0.000 0.295 451 V C -0.788 174.870 176.094 -0.727 0.000 1.053 451 V CA -0.317 61.748 62.300 -0.392 0.000 0.987 451 V CB 0.767 32.369 31.823 -0.369 0.000 1.006 451 V HN 0.043 nan 8.190 nan 0.000 0.472 452 Y N 0.272 120.299 120.300 -0.454 0.000 2.425 452 Y HA 0.453 5.004 4.550 0.001 0.000 0.344 452 Y C -0.525 175.163 175.900 -0.352 0.000 0.969 452 Y CA -0.811 57.050 58.100 -0.399 0.000 1.052 452 Y CB 1.656 39.895 38.460 -0.368 0.000 1.215 452 Y HN 0.643 nan 8.280 nan 0.000 0.451 453 W N 5.376 126.713 121.300 0.061 0.000 2.388 453 W HA 0.444 5.105 4.660 0.001 0.000 0.308 453 W C -0.452 176.111 176.519 0.073 0.000 1.263 453 W CA -0.404 56.951 57.345 0.016 0.000 1.286 453 W CB 0.609 30.094 29.460 0.042 0.000 1.294 453 W HN 0.268 nan 8.180 nan 0.000 0.493 454 L N 6.226 127.584 121.223 0.224 0.000 2.259 454 L HA 0.427 4.768 4.340 0.001 0.000 0.288 454 L C 0.554 177.534 176.870 0.183 0.000 1.051 454 L CA -0.212 54.713 54.840 0.141 0.000 0.824 454 L CB 0.398 42.456 42.059 -0.002 0.000 1.206 454 L HN 0.395 nan 8.230 nan 0.000 0.429 455 T N 2.807 117.502 114.554 0.236 0.000 2.929 455 T HA 0.676 5.027 4.350 0.001 0.000 0.284 455 T C -0.300 174.503 174.700 0.172 0.000 1.014 455 T CA -0.659 61.564 62.100 0.205 0.000 1.051 455 T CB 1.636 70.659 68.868 0.259 0.000 1.028 455 T HN 0.446 nan 8.240 nan 0.000 0.485 456 I N 2.562 123.212 120.570 0.133 0.000 2.534 456 I HA 0.369 4.540 4.170 0.001 0.000 0.288 456 I C -2.629 173.546 176.117 0.096 0.000 1.077 456 I CA -2.865 58.496 61.300 0.101 0.000 1.051 456 I CB 2.622 40.668 38.000 0.076 0.000 1.234 456 I HN 0.431 nan 8.210 nan 0.000 0.425 457 P HA 0.101 nan 4.420 nan 0.000 0.268 457 P C -2.511 174.853 177.300 0.107 0.000 1.208 457 P CA -0.763 62.388 63.100 0.085 0.000 0.777 457 P CB -0.119 31.623 31.700 0.069 0.000 0.875 458 P HA 0.114 nan 4.420 nan 0.000 0.271 458 P C -0.241 176.966 177.300 -0.156 0.000 1.218 458 P CA 0.174 63.241 63.100 -0.056 0.000 0.780 458 P CB 0.176 31.805 31.700 -0.118 0.000 0.901 459 M N 4.644 124.063 119.600 -0.302 0.000 2.435 459 M HA 0.143 4.623 4.480 0.001 0.000 0.344 459 M C 0.256 176.396 176.300 -0.266 0.000 1.329 459 M CA 0.103 55.056 55.300 -0.579 0.000 1.320 459 M CB -1.937 30.151 32.600 -0.854 0.000 1.309 459 M HN 0.395 nan 8.290 nan 0.000 0.451 460 K N 2.090 122.369 120.400 -0.202 0.000 1.867 460 K HA -0.323 3.998 4.320 0.001 0.000 0.140 460 K C 0.406 176.940 176.600 -0.110 0.000 1.408 460 K CA 2.266 58.475 56.287 -0.131 0.000 0.461 460 K CB -0.917 31.517 32.500 -0.109 0.000 0.594 460 K HN 0.892 nan 8.250 nan 0.000 0.888 461 N N 1.156 119.805 118.700 -0.084 0.000 2.279 461 N HA 0.172 4.913 4.740 0.001 0.000 0.226 461 N C 0.922 176.397 175.510 -0.059 0.000 1.126 461 N CA -0.146 52.855 53.050 -0.083 0.000 0.846 461 N CB 0.125 38.567 38.487 -0.075 0.000 1.050 461 N HN 0.237 nan 8.380 nan 0.000 0.502 462 L N -0.639 120.567 121.223 -0.028 0.000 2.515 462 L HA 0.481 4.822 4.340 0.001 0.000 0.223 462 L C 0.521 177.463 176.870 0.120 0.000 1.079 462 L CA -0.101 54.784 54.840 0.075 0.000 0.857 462 L CB 0.250 42.404 42.059 0.159 0.000 1.050 462 L HN 0.248 nan 8.230 nan 0.000 0.476 463 A N 0.324 123.161 122.820 0.029 0.000 2.582 463 A HA 0.498 4.819 4.320 0.001 0.000 0.297 463 A C -1.383 176.183 177.584 -0.030 0.000 1.059 463 A CA -0.561 51.506 52.037 0.050 0.000 0.705 463 A CB 1.018 20.103 19.000 0.141 0.000 1.279 463 A HN -0.013 nan 8.150 nan 0.000 0.404 464 L N 1.924 123.107 121.223 -0.066 0.000 2.475 464 L HA 0.661 5.002 4.340 0.001 0.000 0.253 464 L C 1.320 178.127 176.870 -0.106 0.000 1.198 464 L CA 0.770 55.500 54.840 -0.184 0.000 0.814 464 L CB 0.747 42.560 42.059 -0.410 0.000 1.134 464 L HN 1.073 nan 8.230 nan 0.000 0.478 465 G N 1.152 109.855 108.800 -0.162 0.000 2.647 465 G HA2 0.382 4.342 3.960 0.001 0.000 0.271 465 G HA3 0.382 4.342 3.960 0.001 0.000 0.271 465 G C -1.005 173.916 174.900 0.036 0.000 1.300 465 G CA -0.401 44.678 45.100 -0.037 0.000 0.997 465 G HN 0.570 nan 8.290 nan 0.000 0.533 466 V N -0.000 119.982 119.914 0.114 0.000 2.656 466 V HA 0.429 4.550 4.120 0.001 0.000 0.307 466 V C -0.242 175.946 176.094 0.156 0.000 1.051 466 V CA -0.461 61.954 62.300 0.191 0.000 0.893 466 V CB 1.919 33.849 31.823 0.179 0.000 0.999 466 V HN 0.565 nan 8.190 nan 0.000 0.426 467 I N 4.412 125.081 120.570 0.165 0.000 2.502 467 I HA 0.395 4.566 4.170 0.001 0.000 0.276 467 I C -0.118 176.100 176.117 0.167 0.000 1.057 467 I CA -0.072 61.289 61.300 0.102 0.000 1.163 467 I CB 0.772 38.746 38.000 -0.043 0.000 1.288 467 I HN 0.688 nan 8.210 nan 0.000 0.479 468 N N 2.857 121.639 118.700 0.138 0.000 2.485 468 N HA 0.584 5.325 4.740 0.001 0.000 0.280 468 N C -0.424 175.133 175.510 0.078 0.000 1.205 468 N CA -0.753 52.344 53.050 0.079 0.000 0.959 468 N CB 1.619 40.042 38.487 -0.106 0.000 1.206 468 N HN 0.390 nan 8.380 nan 0.000 0.545 469 T N -0.886 113.643 114.554 -0.040 0.000 2.779 469 T HA 0.517 4.868 4.350 0.001 0.000 0.280 469 T C -0.726 173.830 174.700 -0.239 0.000 0.987 469 T CA -0.787 61.198 62.100 -0.192 0.000 0.966 469 T CB 0.858 69.531 68.868 -0.324 0.000 0.933 469 T HN 0.237 nan 8.240 nan 0.000 0.442 470 L N 2.917 123.991 121.223 -0.250 0.000 2.317 470 L HA 0.726 5.067 4.340 0.001 0.000 0.281 470 L C -0.543 176.180 176.870 -0.244 0.000 1.024 470 L CA -0.317 54.349 54.840 -0.290 0.000 0.810 470 L CB 1.157 43.057 42.059 -0.265 0.000 1.240 470 L HN 0.885 nan 8.230 nan 0.000 0.427 471 E N 4.105 124.177 120.200 -0.212 0.000 2.356 471 E HA 0.277 4.627 4.350 0.001 0.000 0.275 471 E C -0.974 175.786 176.600 0.267 0.000 0.904 471 E CA -0.588 55.830 56.400 0.030 0.000 0.757 471 E CB 0.881 30.583 29.700 0.003 0.000 1.232 471 E HN 0.998 nan 8.360 nan 0.000 0.442 472 W N 1.722 123.073 121.300 0.084 0.000 2.396 472 W HA 0.331 4.992 4.660 0.001 0.000 0.216 472 W C 0.762 177.365 176.519 0.141 0.000 0.949 472 W CA -0.365 57.108 57.345 0.214 0.000 1.168 472 W CB -0.203 29.477 29.460 0.367 0.000 0.829 472 W HN 0.294 nan 8.180 nan 0.000 0.663 473 I N 2.403 122.956 120.570 -0.029 0.000 2.068 473 I HA -0.238 3.933 4.170 0.001 0.000 0.238 473 I C -0.080 175.972 176.117 -0.108 0.000 1.046 473 I CA 1.911 62.983 61.300 -0.380 0.000 1.306 473 I CB -1.828 35.974 38.000 -0.330 0.000 1.023 473 I HN -0.071 nan 8.210 nan 0.000 0.399 474 P HA -0.171 nan 4.420 nan 0.000 0.202 474 P C 1.682 179.016 177.300 0.055 0.000 1.149 474 P CA 1.287 64.400 63.100 0.022 0.000 0.931 474 P CB -0.041 31.682 31.700 0.040 0.000 0.762 475 R N -2.254 118.316 120.500 0.115 0.000 2.276 475 R HA 0.200 4.541 4.340 0.001 0.000 0.195 475 R C -0.556 175.934 176.300 0.317 0.000 0.908 475 R CA -0.009 56.185 56.100 0.156 0.000 1.083 475 R CB 0.397 30.773 30.300 0.128 0.000 1.182 475 R HN 0.246 nan 8.270 nan 0.000 0.608 476 F N 0.458 120.481 119.950 0.122 0.000 2.188 476 F HA 0.025 4.552 4.527 0.001 0.000 0.341 476 F C -1.929 173.938 175.800 0.112 0.000 1.294 476 F CA -0.377 57.724 58.000 0.168 0.000 0.996 476 F CB -0.356 38.742 39.000 0.163 0.000 4.003 476 F HN 0.017 nan 8.300 nan 0.000 0.256 477 K N 5.199 125.242 120.400 -0.595 0.000 2.557 477 K HA 0.801 5.122 4.320 0.001 0.000 0.261 477 K C -2.140 174.129 176.600 -0.552 0.000 0.932 477 K CA -0.600 55.407 56.287 -0.466 0.000 0.829 477 K CB 2.306 34.716 32.500 -0.150 0.000 1.358 477 K HN 0.555 nan 8.250 nan 0.000 0.430 478 V N 3.833 123.490 119.914 -0.428 0.000 2.325 478 V HA 0.467 4.587 4.120 0.001 0.000 0.280 478 V C -0.945 175.020 176.094 -0.214 0.000 1.016 478 V CA -0.566 61.490 62.300 -0.406 0.000 0.818 478 V CB 1.257 32.733 31.823 -0.579 0.000 1.019 478 V HN 0.832 nan 8.190 nan 0.000 0.434 479 S N 7.507 123.112 115.700 -0.159 0.000 2.549 479 S HA 0.665 5.136 4.470 0.001 0.000 0.297 479 S C -2.533 172.038 174.600 -0.048 0.000 1.115 479 S CA -1.490 56.676 58.200 -0.055 0.000 1.059 479 S CB 2.000 65.184 63.200 -0.027 0.000 1.046 479 S HN 0.551 nan 8.310 nan 0.000 0.506 480 P HA 0.078 nan 4.420 nan 0.000 0.274 480 P C -0.649 176.679 177.300 0.048 0.000 1.264 480 P CA 0.095 63.138 63.100 -0.096 0.000 0.795 480 P CB 0.454 31.923 31.700 -0.384 0.000 1.064 481 Y N -2.091 118.134 120.300 -0.124 0.000 2.592 481 Y HA 0.203 4.753 4.550 0.001 0.000 0.309 481 Y C -0.168 175.606 175.900 -0.211 0.000 0.928 481 Y CA 0.076 58.125 58.100 -0.085 0.000 0.941 481 Y CB 0.827 39.336 38.460 0.082 0.000 1.422 481 Y HN 0.190 nan 8.280 nan 0.000 0.579 482 R N -0.201 120.159 120.500 -0.233 0.000 2.644 482 R HA 0.289 4.630 4.340 0.001 0.000 0.257 482 R C -0.836 175.129 176.300 -0.557 0.000 1.082 482 R CA -0.145 55.556 56.100 -0.667 0.000 0.927 482 R CB 0.491 30.171 30.300 -1.034 0.000 1.258 482 R HN 0.256 nan 8.270 nan 0.000 0.459 483 F N -1.861 118.048 119.950 -0.068 0.000 2.871 483 F HA -0.257 4.271 4.527 0.001 0.000 0.326 483 F C 0.645 176.448 175.800 0.005 0.000 0.675 483 F CA 1.467 59.444 58.000 -0.037 0.000 1.188 483 F CB -1.800 37.160 39.000 -0.066 0.000 1.567 483 F HN 0.498 nan 8.300 nan 0.000 0.325 484 T N 1.252 115.842 114.554 0.060 0.000 3.060 484 T HA 0.606 4.956 4.350 0.001 0.000 0.367 484 T C -0.132 174.592 174.700 0.041 0.000 1.229 484 T CA -0.112 62.038 62.100 0.083 0.000 1.104 484 T CB 0.050 68.961 68.868 0.072 0.000 1.083 484 T HN 0.526 nan 8.240 nan 0.000 0.524 485 V N 4.098 124.073 119.914 0.102 0.000 2.811 485 V HA 0.581 4.701 4.120 0.001 0.000 0.302 485 V C -2.543 173.690 176.094 0.232 0.000 1.063 485 V CA -2.119 60.252 62.300 0.118 0.000 1.088 485 V CB 0.133 32.023 31.823 0.111 0.000 0.982 485 V HN 0.564 nan 8.190 nan 0.000 0.485 486 P HA 0.305 nan 4.420 nan 0.000 0.276 486 P C -0.538 176.847 177.300 0.143 0.000 1.230 486 P CA -0.198 63.118 63.100 0.359 0.000 0.776 486 P CB 0.399 32.264 31.700 0.276 0.000 0.888 487 I N 3.557 124.158 120.570 0.051 0.000 2.281 487 I HA 0.094 4.265 4.170 0.001 0.000 0.293 487 I C 1.069 177.188 176.117 0.003 0.000 1.085 487 I CA -0.861 60.455 61.300 0.026 0.000 1.257 487 I CB -0.316 37.689 38.000 0.008 0.000 1.430 487 I HN 0.415 nan 8.210 nan 0.000 0.489 488 K N 6.749 127.162 120.400 0.022 0.000 2.524 488 K HA 0.011 4.332 4.320 0.001 0.000 0.279 488 K C -0.074 176.528 176.600 0.003 0.000 0.993 488 K CA -0.046 56.251 56.287 0.016 0.000 1.030 488 K CB 0.212 32.727 32.500 0.025 0.000 0.891 488 K HN 0.512 nan 8.250 nan 0.000 0.488 489 E N 1.479 121.678 120.200 -0.001 0.000 2.596 489 E HA -0.265 4.085 4.350 0.001 0.000 0.154 489 E C -0.194 176.398 176.600 -0.013 0.000 1.849 489 E CA 0.442 56.838 56.400 -0.005 0.000 0.629 489 E CB -1.171 28.529 29.700 -0.000 0.000 1.066 489 E HN 0.795 nan 8.360 nan 0.000 0.334 490 A N 0.718 123.525 122.820 -0.022 0.000 2.487 490 A HA 0.483 4.804 4.320 0.001 0.000 0.192 490 A C 1.226 178.789 177.584 -0.036 0.000 1.709 490 A CA 0.654 52.675 52.037 -0.027 0.000 1.105 490 A CB 0.511 19.495 19.000 -0.027 0.000 1.081 490 A HN 1.142 nan 8.150 nan 0.000 0.445 491 G N -1.831 106.945 108.800 -0.039 0.000 2.672 491 G HA2 0.369 4.330 3.960 0.001 0.000 0.197 491 G HA3 0.369 4.330 3.960 0.001 0.000 0.197 491 G C 1.624 176.490 174.900 -0.057 0.000 0.995 491 G CA 1.246 46.320 45.100 -0.043 0.000 0.754 491 G HN 2.064 nan 8.290 nan 0.000 0.505 492 G N 1.680 110.435 108.800 -0.075 0.000 4.236 492 G HA2 -0.393 3.568 3.960 0.001 0.000 0.222 492 G HA3 -0.393 3.568 3.960 0.001 0.000 0.222 492 G C 1.214 175.993 174.900 -0.201 0.000 1.354 492 G CA 1.509 46.559 45.100 -0.084 0.000 0.966 492 G HN 1.701 nan 8.290 nan 0.000 0.624 493 D N 0.956 121.271 120.400 -0.142 0.000 2.378 493 D HA 0.081 4.722 4.640 0.001 0.000 0.222 493 D C 1.238 177.323 176.300 -0.359 0.000 0.980 493 D CA 0.820 54.737 54.000 -0.139 0.000 0.907 493 D CB -0.891 39.911 40.800 0.003 0.000 0.899 493 D HN 0.771 nan 8.370 nan 0.000 0.527 494 c N 1.970 120.341 118.600 -0.382 0.000 2.499 494 c HA 0.362 4.933 4.570 0.001 0.000 0.386 494 c C -0.368 173.432 174.090 -0.483 0.000 1.293 494 c CA -0.433 55.729 56.329 -0.278 0.000 1.884 494 c CB -0.862 41.576 42.510 -0.120 0.000 2.509 494 c HN 0.370 nan 8.230 nan 0.000 0.566 495 H N 2.913 122.047 119.070 0.106 0.000 2.949 495 H HA 0.815 5.372 4.556 0.001 0.000 0.356 495 H C -0.297 175.110 175.328 0.132 0.000 1.212 495 H CA -0.129 55.984 56.048 0.108 0.000 1.136 495 H CB 1.918 31.744 29.762 0.107 0.000 1.869 495 H HN 0.870 nan 8.280 nan 0.000 0.556 496 A N 1.452 124.432 122.820 0.267 0.000 2.587 496 A HA 0.566 4.886 4.320 0.001 0.000 0.293 496 A C -2.815 174.891 177.584 0.203 0.000 1.087 496 A CA -1.574 50.593 52.037 0.216 0.000 0.692 496 A CB 1.791 20.899 19.000 0.180 0.000 1.291 496 A HN 0.374 nan 8.150 nan 0.000 0.407 497 P HA 0.209 nan 4.420 nan 0.000 0.273 497 P C -0.310 177.108 177.300 0.197 0.000 1.250 497 P CA 0.219 63.437 63.100 0.197 0.000 0.793 497 P CB 0.329 32.151 31.700 0.204 0.000 1.011 498 T N 2.155 116.824 114.554 0.193 0.000 2.739 498 T HA 0.076 4.427 4.350 0.001 0.000 0.298 498 T C 0.486 175.306 174.700 0.201 0.000 0.929 498 T CA 0.248 62.457 62.100 0.182 0.000 1.014 498 T CB -0.478 68.488 68.868 0.162 0.000 0.914 498 T HN 0.357 nan 8.240 nan 0.000 0.509 499 Y N 4.564 124.905 120.300 0.069 0.000 2.197 499 Y HA 0.329 4.880 4.550 0.001 0.000 0.281 499 Y C 1.093 177.014 175.900 0.034 0.000 1.099 499 Y CA -0.347 57.782 58.100 0.049 0.000 1.092 499 Y CB -0.311 38.184 38.460 0.058 0.000 1.028 499 Y HN 0.507 nan 8.280 nan 0.000 0.489 500 L N 2.422 123.566 121.223 -0.132 0.000 3.760 500 L HA -0.183 4.158 4.340 0.001 0.000 0.604 500 L C -1.908 174.681 176.870 -0.468 0.000 1.108 500 L CA 0.011 54.716 54.840 -0.225 0.000 0.941 500 L CB -0.161 41.854 42.059 -0.073 0.000 1.244 500 L HN 0.335 nan 8.230 nan 0.000 0.789 501 P HA -0.100 nan 4.420 nan 0.000 0.237 501 P C 1.277 178.421 177.300 -0.261 0.000 1.178 501 P CA 1.202 63.917 63.100 -0.642 0.000 0.766 501 P CB 0.207 31.506 31.700 -0.668 0.000 0.876 502 A N 0.193 122.904 122.820 -0.180 0.000 2.032 502 A HA -0.156 4.165 4.320 0.001 0.000 0.221 502 A C 1.257 178.802 177.584 -0.065 0.000 1.165 502 A CA 1.439 53.429 52.037 -0.077 0.000 0.645 502 A CB -0.777 18.201 19.000 -0.037 0.000 0.807 502 A HN 0.224 nan 8.150 nan 0.000 0.453 503 E N -0.658 119.482 120.200 -0.101 0.000 2.325 503 E HA 0.513 4.864 4.350 0.001 0.000 0.248 503 E C -1.710 174.824 176.600 -0.109 0.000 0.912 503 E CA -0.285 56.067 56.400 -0.081 0.000 0.782 503 E CB 1.266 30.928 29.700 -0.063 0.000 1.264 503 E HN -0.041 nan 8.360 nan 0.000 0.417 504 V N 4.442 124.301 119.914 -0.091 0.000 2.419 504 V HA 0.294 4.415 4.120 0.001 0.000 0.287 504 V C -0.539 175.515 176.094 -0.066 0.000 1.017 504 V CA -1.037 61.210 62.300 -0.088 0.000 0.844 504 V CB 1.642 33.416 31.823 -0.081 0.000 1.011 504 V HN 0.610 nan 8.190 nan 0.000 0.429 505 D N 3.701 124.055 120.400 -0.076 0.000 2.317 505 D HA 0.231 4.872 4.640 0.001 0.000 0.252 505 D C 1.176 177.441 176.300 -0.058 0.000 1.174 505 D CA 0.294 54.253 54.000 -0.069 0.000 0.866 505 D CB 2.135 42.882 40.800 -0.089 0.000 1.127 505 D HN 0.654 nan 8.370 nan 0.000 0.467 506 G N 2.877 111.652 108.800 -0.043 0.000 2.956 506 G HA2 -0.113 3.848 3.960 0.001 0.000 0.207 506 G HA3 -0.113 3.848 3.960 0.001 0.000 0.207 506 G C 0.795 175.674 174.900 -0.036 0.000 1.162 506 G CA -0.057 45.024 45.100 -0.033 0.000 0.796 506 G HN 0.437 nan 8.290 nan 0.000 0.527 507 D N -0.343 120.027 120.400 -0.050 0.000 2.407 507 D HA 0.069 4.709 4.640 0.001 0.000 0.208 507 D C 0.752 177.007 176.300 -0.075 0.000 1.083 507 D CA 0.103 54.066 54.000 -0.062 0.000 0.844 507 D CB 1.100 41.862 40.800 -0.064 0.000 0.967 507 D HN 0.040 nan 8.370 nan 0.000 0.506 508 V N 3.274 123.147 119.914 -0.068 0.000 2.222 508 V HA 0.046 4.166 4.120 0.001 0.000 0.253 508 V C 1.405 177.474 176.094 -0.043 0.000 1.210 508 V CA -0.100 62.161 62.300 -0.065 0.000 1.079 508 V CB 0.816 32.585 31.823 -0.090 0.000 1.265 508 V HN -0.077 nan 8.190 nan 0.000 0.494 509 K N 2.861 123.259 120.400 -0.003 0.000 2.097 509 K HA 0.162 4.483 4.320 0.001 0.000 0.205 509 K C 0.345 176.911 176.600 -0.056 0.000 1.050 509 K CA 0.982 57.256 56.287 -0.021 0.000 0.938 509 K CB 0.534 33.033 32.500 -0.002 0.000 0.718 509 K HN 0.395 nan 8.250 nan 0.000 0.442 510 L N 0.702 121.909 121.223 -0.027 0.000 2.549 510 L HA 0.138 4.479 4.340 0.001 0.000 0.259 510 L C -1.256 175.595 176.870 -0.033 0.000 0.934 510 L CA -0.529 54.274 54.840 -0.061 0.000 0.865 510 L CB 2.370 44.359 42.059 -0.116 0.000 1.352 510 L HN -0.003 nan 8.230 nan 0.000 0.410 511 S N 0.983 116.648 115.700 -0.058 0.000 2.449 511 S HA 0.564 5.034 4.470 0.001 0.000 0.310 511 S C 0.112 174.693 174.600 -0.031 0.000 1.096 511 S CA -0.419 57.751 58.200 -0.049 0.000 1.095 511 S CB 1.733 64.885 63.200 -0.080 0.000 1.007 511 S HN 0.699 nan 8.310 nan 0.000 0.474 512 S N 2.801 118.496 115.700 -0.008 0.000 2.775 512 S HA 0.046 4.516 4.470 0.001 0.000 0.250 512 S C 0.568 175.195 174.600 0.045 0.000 1.391 512 S CA -0.325 57.891 58.200 0.026 0.000 0.972 512 S CB -0.526 62.706 63.200 0.052 0.000 0.963 512 S HN 0.979 nan 8.310 nan 0.000 0.570 513 N N 0.148 118.899 118.700 0.086 0.000 2.379 513 N HA 0.238 4.979 4.740 0.001 0.000 0.260 513 N C -0.815 174.773 175.510 0.130 0.000 1.254 513 N CA -0.728 52.386 53.050 0.107 0.000 0.958 513 N CB 0.686 39.258 38.487 0.141 0.000 1.208 513 N HN 0.779 nan 8.380 nan 0.000 0.532 514 L N 0.882 122.191 121.223 0.143 0.000 2.316 514 L HA 0.393 4.734 4.340 0.001 0.000 0.280 514 L C -0.517 176.411 176.870 0.098 0.000 1.006 514 L CA -0.874 54.036 54.840 0.117 0.000 0.836 514 L CB 1.129 43.217 42.059 0.049 0.000 1.221 514 L HN 0.523 nan 8.230 nan 0.000 0.418 515 V N 3.242 123.166 119.914 0.016 0.000 2.716 515 V HA 0.552 4.672 4.120 0.001 0.000 0.304 515 V C -0.118 175.702 176.094 -0.457 0.000 1.053 515 V CA -0.649 61.447 62.300 -0.341 0.000 0.984 515 V CB 1.779 33.572 31.823 -0.050 0.000 1.021 515 V HN 0.577 nan 8.190 nan 0.000 0.467 516 I N 4.916 124.923 120.570 -0.939 0.000 2.337 516 I HA 0.391 4.561 4.170 0.001 0.000 0.285 516 I C 0.094 176.070 176.117 -0.235 0.000 1.041 516 I CA -0.582 60.436 61.300 -0.469 0.000 1.199 516 I CB 0.645 38.373 38.000 -0.453 0.000 1.370 516 I HN 0.640 nan 8.210 nan 0.000 0.470 517 L N 8.019 129.186 121.223 -0.093 0.000 2.453 517 L HA 0.196 4.536 4.340 0.001 0.000 0.272 517 L C -1.882 174.991 176.870 0.005 0.000 1.182 517 L CA -1.204 53.633 54.840 -0.005 0.000 0.858 517 L CB -0.207 41.855 42.059 0.005 0.000 1.120 517 L HN 0.284 nan 8.230 nan 0.000 0.474 518 P HA 0.448 nan 4.420 nan 0.000 0.275 518 P C -0.075 177.242 177.300 0.028 0.000 1.266 518 P CA -0.150 62.986 63.100 0.059 0.000 0.793 518 P CB 0.871 32.621 31.700 0.082 0.000 1.074 519 G N -0.914 107.903 108.800 0.028 0.000 2.361 519 G HA2 -0.084 3.877 3.960 0.001 0.000 0.331 519 G HA3 -0.084 3.877 3.960 0.001 0.000 0.331 519 G C 0.127 175.029 174.900 0.004 0.000 1.324 519 G CA -0.516 44.587 45.100 0.005 0.000 0.984 519 G HN 0.367 nan 8.290 nan 0.000 0.586 520 Q N -0.455 119.341 119.800 -0.007 0.000 2.119 520 Q HA 0.037 4.378 4.340 0.001 0.000 0.201 520 Q C 0.236 176.243 176.000 0.012 0.000 0.972 520 Q CA 1.544 57.344 55.803 -0.005 0.000 0.847 520 Q CB 0.032 28.767 28.738 -0.005 0.000 0.903 520 Q HN 0.544 nan 8.270 nan 0.000 0.433 521 D N -0.389 120.014 120.400 0.005 0.000 2.277 521 D HA 0.287 4.928 4.640 0.001 0.000 0.250 521 D C -1.158 175.150 176.300 0.013 0.000 1.032 521 D CA -0.591 53.421 54.000 0.019 0.000 0.947 521 D CB 1.189 41.984 40.800 -0.009 0.000 1.159 521 D HN -0.091 nan 8.370 nan 0.000 0.460 522 L N 2.287 123.524 121.223 0.025 0.000 2.313 522 L HA 0.271 4.611 4.340 0.001 0.000 0.282 522 L C -0.689 176.177 176.870 -0.005 0.000 1.092 522 L CA 0.266 55.066 54.840 -0.067 0.000 0.831 522 L CB -0.089 41.852 42.059 -0.195 0.000 1.159 522 L HN 0.340 nan 8.230 nan 0.000 0.442 523 Q N 4.909 124.700 119.800 -0.015 0.000 2.345 523 Q HA 0.528 4.868 4.340 0.001 0.000 0.275 523 Q C -1.781 174.255 176.000 0.060 0.000 1.063 523 Q CA -0.901 54.904 55.803 0.003 0.000 0.819 523 Q CB 1.903 30.580 28.738 -0.102 0.000 1.356 523 Q HN 0.659 nan 8.270 nan 0.000 0.418 524 Y N -1.474 118.796 120.300 -0.049 0.000 2.609 524 Y HA 0.855 5.405 4.550 0.001 0.000 0.342 524 Y C -1.241 174.687 175.900 0.047 0.000 1.058 524 Y CA -1.288 56.772 58.100 -0.067 0.000 1.055 524 Y CB 1.336 39.717 38.460 -0.132 0.000 1.292 524 Y HN 0.409 nan 8.280 nan 0.000 0.476 525 V N 2.233 122.233 119.914 0.142 0.000 3.046 525 V HA 0.841 4.962 4.120 0.001 0.000 0.316 525 V C -0.868 175.362 176.094 0.228 0.000 1.104 525 V CA -0.914 61.481 62.300 0.159 0.000 1.006 525 V CB 1.770 33.682 31.823 0.148 0.000 1.058 525 V HN 0.977 nan 8.190 nan 0.000 0.440 526 L N 0.096 121.477 121.223 0.264 0.000 2.765 526 L HA 0.964 5.305 4.340 0.001 0.000 0.254 526 L C -0.860 176.145 176.870 0.225 0.000 0.939 526 L CA -0.422 54.546 54.840 0.214 0.000 0.949 526 L CB 1.034 43.180 42.059 0.145 0.000 1.521 526 L HN 1.033 nan 8.230 nan 0.000 0.434 527 A N 1.313 124.197 122.820 0.106 0.000 2.350 527 A HA 1.005 5.325 4.320 0.001 0.000 0.318 527 A C -0.397 177.171 177.584 -0.027 0.000 1.132 527 A CA -0.439 51.570 52.037 -0.047 0.000 0.811 527 A CB 1.720 20.491 19.000 -0.382 0.000 1.313 527 A HN 0.862 nan 8.150 nan 0.000 0.454 528 T N 0.163 114.684 114.554 -0.055 0.000 2.900 528 T HA 0.435 4.785 4.350 0.001 0.000 0.295 528 T C -1.644 173.005 174.700 -0.085 0.000 1.044 528 T CA -0.015 62.065 62.100 -0.033 0.000 0.995 528 T CB 1.043 69.930 68.868 0.031 0.000 1.072 528 T HN 0.469 nan 8.240 nan 0.000 0.473 529 Y N 2.789 122.986 120.300 -0.170 0.000 2.804 529 Y HA 0.445 4.996 4.550 0.001 0.000 0.330 529 Y C -0.179 175.598 175.900 -0.206 0.000 1.092 529 Y CA -1.031 56.946 58.100 -0.205 0.000 1.315 529 Y CB 0.146 38.488 38.460 -0.196 0.000 1.188 529 Y HN 0.632 nan 8.280 nan 0.000 0.512 530 D N 2.073 122.262 120.400 -0.353 0.000 2.177 530 D HA 0.228 4.869 4.640 0.001 0.000 0.247 530 D C 0.663 176.719 176.300 -0.407 0.000 1.063 530 D CA -0.219 53.612 54.000 -0.282 0.000 0.867 530 D CB 1.456 42.132 40.800 -0.206 0.000 1.168 530 D HN 0.530 nan 8.370 nan 0.000 0.445 531 T N -0.958 113.420 114.554 -0.294 0.000 3.044 531 T HA 0.024 4.375 4.350 0.001 0.000 0.260 531 T C 1.743 176.406 174.700 -0.061 0.000 1.019 531 T CA 0.293 62.235 62.100 -0.263 0.000 0.921 531 T CB -0.237 68.449 68.868 -0.303 0.000 1.053 531 T HN 0.318 nan 8.240 nan 0.000 0.533 532 S N 1.301 116.962 115.700 -0.064 0.000 2.440 532 S HA -0.058 4.412 4.470 0.001 0.000 0.240 532 S C 1.087 175.739 174.600 0.087 0.000 1.014 532 S CA 0.143 58.350 58.200 0.011 0.000 0.980 532 S CB -0.504 62.705 63.200 0.015 0.000 0.775 532 S HN 0.559 nan 8.310 nan 0.000 0.499 533 R N -0.050 120.459 120.500 0.015 0.000 2.546 533 R HA 0.449 4.789 4.340 0.001 0.000 0.266 533 R C 1.512 177.844 176.300 0.053 0.000 1.086 533 R CA -0.083 56.038 56.100 0.035 0.000 1.160 533 R CB 0.556 30.751 30.300 -0.175 0.000 1.138 533 R HN 0.040 nan 8.270 nan 0.000 0.567 534 V N 0.308 120.256 119.914 0.057 0.000 2.469 534 V HA -0.202 3.919 4.120 0.001 0.000 0.251 534 V C 0.628 176.721 176.094 -0.002 0.000 1.064 534 V CA 1.732 64.047 62.300 0.026 0.000 1.066 534 V CB -0.699 31.135 31.823 0.017 0.000 0.667 534 V HN 0.643 nan 8.190 nan 0.000 0.461 535 E N -1.541 118.651 120.200 -0.014 0.000 2.207 535 E HA 0.362 4.712 4.350 0.001 0.000 0.270 535 E C -0.694 175.914 176.600 0.015 0.000 0.927 535 E CA -0.625 55.755 56.400 -0.032 0.000 0.799 535 E CB 1.215 30.889 29.700 -0.043 0.000 1.172 535 E HN 0.535 nan 8.360 nan 0.000 0.404 536 H N 0.650 119.624 119.070 -0.160 0.000 2.899 536 H HA 0.322 4.878 4.556 0.001 0.000 0.303 536 H C -0.454 174.658 175.328 -0.360 0.000 1.042 536 H CA -0.585 55.285 56.048 -0.297 0.000 1.479 536 H CB 0.835 30.428 29.762 -0.282 0.000 1.493 536 H HN 0.403 nan 8.280 nan 0.000 0.534 537 A N 3.634 126.249 122.820 -0.341 0.000 2.423 537 A HA 0.485 4.806 4.320 0.001 0.000 0.304 537 A C -0.746 176.581 177.584 -0.428 0.000 1.104 537 A CA -0.676 51.184 52.037 -0.296 0.000 0.757 537 A CB 1.600 20.491 19.000 -0.181 0.000 1.313 537 A HN 0.491 nan 8.150 nan 0.000 0.423 538 V N 1.901 121.611 119.914 -0.341 0.000 2.333 538 V HA 0.360 4.481 4.120 0.001 0.000 0.274 538 V C -0.529 175.363 176.094 -0.338 0.000 1.028 538 V CA -0.238 61.785 62.300 -0.461 0.000 0.851 538 V CB 1.082 32.414 31.823 -0.819 0.000 1.000 538 V HN 0.594 nan 8.190 nan 0.000 0.456 539 V N 6.468 126.209 119.914 -0.289 0.000 2.370 539 V HA 0.411 4.532 4.120 0.001 0.000 0.283 539 V C -0.572 175.409 176.094 -0.187 0.000 1.023 539 V CA -0.870 61.328 62.300 -0.170 0.000 0.857 539 V CB 1.034 32.761 31.823 -0.161 0.000 0.985 539 V HN 0.679 nan 8.190 nan 0.000 0.443 540 Y N 3.832 124.131 120.300 -0.001 0.000 2.304 540 Y HA 0.468 5.018 4.550 0.001 0.000 0.328 540 Y C -0.273 175.523 175.900 -0.174 0.000 1.123 540 Y CA -0.197 57.910 58.100 0.010 0.000 1.218 540 Y CB 0.807 39.303 38.460 0.059 0.000 1.207 540 Y HN 0.534 nan 8.280 nan 0.000 0.495 541 Y N 1.862 122.237 120.300 0.124 0.000 2.345 541 Y HA 0.484 5.035 4.550 0.001 0.000 0.331 541 Y C -0.640 175.191 175.900 -0.115 0.000 0.959 541 Y CA -0.967 57.120 58.100 -0.021 0.000 1.204 541 Y CB 1.233 39.784 38.460 0.152 0.000 1.135 541 Y HN 0.248 nan 8.280 nan 0.000 0.477 542 V N 5.417 125.063 119.914 -0.448 0.000 2.347 542 V HA 0.304 4.424 4.120 0.001 0.000 0.280 542 V C -0.740 175.024 176.094 -0.549 0.000 1.021 542 V CA -1.063 60.965 62.300 -0.455 0.000 0.847 542 V CB 0.166 31.566 31.823 -0.706 0.000 0.990 542 V HN 0.576 nan 8.190 nan 0.000 0.444 543 Y N 2.043 122.037 120.300 -0.511 0.000 2.387 543 Y HA 0.606 5.156 4.550 0.001 0.000 0.336 543 Y C 0.665 176.347 175.900 -0.363 0.000 1.067 543 Y CA -0.536 57.256 58.100 -0.514 0.000 1.114 543 Y CB 2.173 40.062 38.460 -0.951 0.000 1.208 543 Y HN 0.536 nan 8.280 nan 0.000 0.458 544 S N 3.568 119.242 115.700 -0.044 0.000 2.461 544 S HA 0.195 4.666 4.470 0.001 0.000 0.216 544 S C -2.472 172.136 174.600 0.013 0.000 1.201 544 S CA -0.951 57.224 58.200 -0.041 0.000 1.171 544 S CB 1.275 64.423 63.200 -0.086 0.000 1.169 544 S HN 0.462 nan 8.310 nan 0.000 0.456 545 P HA -0.132 nan 4.420 nan 0.000 0.228 545 P C 1.795 179.101 177.300 0.011 0.000 1.151 545 P CA 0.927 64.050 63.100 0.039 0.000 0.770 545 P CB 0.048 31.790 31.700 0.068 0.000 0.786 546 S N -0.571 115.129 115.700 -0.001 0.000 2.380 546 S HA -0.259 4.212 4.470 0.001 0.000 0.229 546 S C 1.765 176.368 174.600 0.005 0.000 1.050 546 S CA 1.278 59.474 58.200 -0.006 0.000 1.100 546 S CB -0.383 62.794 63.200 -0.038 0.000 0.984 546 S HN 0.030 nan 8.310 nan 0.000 0.434 547 R N -0.979 119.532 120.500 0.018 0.000 4.650 547 R HA 0.481 4.822 4.340 0.001 0.000 0.128 547 R C 2.128 178.424 176.300 -0.006 0.000 1.329 547 R CA 0.836 56.944 56.100 0.015 0.000 0.975 547 R CB -0.673 29.656 30.300 0.049 0.000 1.371 547 R HN 0.499 nan 8.270 nan 0.000 0.424 548 S N -1.077 114.653 115.700 0.051 0.000 4.948 548 S HA 0.131 4.602 4.470 0.001 0.000 0.154 548 S C -0.339 174.341 174.600 0.135 0.000 1.026 548 S CA 0.236 58.456 58.200 0.033 0.000 1.308 548 S CB -0.303 62.919 63.200 0.036 0.000 1.915 548 S HN 0.216 nan 8.310 nan 0.000 0.680 549 F N 2.999 122.933 119.950 -0.026 0.000 3.099 549 F HA -0.166 4.361 4.527 0.001 0.000 0.276 549 F C -0.619 175.191 175.800 0.016 0.000 0.914 549 F CA 1.061 59.068 58.000 0.011 0.000 0.948 549 F CB -1.372 37.630 39.000 0.002 0.000 0.983 549 F HN 0.113 nan 8.300 nan 0.000 0.638 550 S N 1.367 117.098 115.700 0.052 0.000 2.448 550 S HA 0.637 5.108 4.470 0.001 0.000 0.320 550 S C -0.594 173.848 174.600 -0.262 0.000 1.071 550 S CA -0.027 58.035 58.200 -0.230 0.000 1.113 550 S CB 0.957 63.924 63.200 -0.389 0.000 0.972 550 S HN 0.417 nan 8.310 nan 0.000 0.465 551 Y N 0.539 120.645 120.300 -0.323 0.000 2.705 551 Y HA 0.890 5.441 4.550 0.001 0.000 0.332 551 Y C -1.043 174.715 175.900 -0.236 0.000 1.157 551 Y CA -2.356 55.551 58.100 -0.321 0.000 1.091 551 Y CB 0.723 38.976 38.460 -0.346 0.000 1.301 551 Y HN 0.497 nan 8.280 nan 0.000 0.488 552 F N -0.384 119.426 119.950 -0.233 0.000 2.588 552 F HA 0.775 5.303 4.527 0.001 0.000 0.314 552 F C -2.079 173.719 175.800 -0.004 0.000 1.069 552 F CA -1.697 56.042 58.000 -0.434 0.000 0.931 552 F CB 1.844 40.237 39.000 -1.011 0.000 1.260 552 F HN 0.600 nan 8.300 nan 0.000 0.465 553 Y N 3.438 123.772 120.300 0.057 0.000 2.406 553 Y HA 0.611 5.162 4.550 0.001 0.000 0.340 553 Y C -2.932 173.055 175.900 0.146 0.000 0.975 553 Y CA -2.710 55.436 58.100 0.076 0.000 1.056 553 Y CB 2.800 41.333 38.460 0.121 0.000 1.210 553 Y HN 0.471 nan 8.280 nan 0.000 0.448 554 P HA 0.217 nan 4.420 nan 0.000 0.292 554 P C -1.156 176.084 177.300 -0.100 0.000 1.287 554 P CA -0.100 62.907 63.100 -0.155 0.000 0.800 554 P CB 1.004 32.571 31.700 -0.221 0.000 0.945 555 F N 4.722 124.642 119.950 -0.050 0.000 2.309 555 F HA 0.316 4.844 4.527 0.001 0.000 0.366 555 F C 0.840 176.623 175.800 -0.028 0.000 1.104 555 F CA -1.017 57.033 58.000 0.084 0.000 1.179 555 F CB 0.714 39.764 39.000 0.084 0.000 1.437 555 F HN 0.071 nan 8.300 nan 0.000 0.528 556 R N 5.879 126.506 120.500 0.211 0.000 2.351 556 R HA 0.198 4.538 4.340 0.001 0.000 0.318 556 R C -0.705 175.713 176.300 0.196 0.000 1.055 556 R CA -0.526 55.637 56.100 0.105 0.000 0.968 556 R CB 0.498 30.803 30.300 0.009 0.000 0.974 556 R HN 0.494 nan 8.270 nan 0.000 0.439 557 L N 5.977 127.233 121.223 0.056 0.000 2.436 557 L HA 0.122 4.463 4.340 0.001 0.000 0.265 557 L C -0.807 176.069 176.870 0.010 0.000 1.168 557 L CA -1.191 53.630 54.840 -0.032 0.000 0.815 557 L CB 0.422 42.306 42.059 -0.292 0.000 1.109 557 L HN 0.442 nan 8.230 nan 0.000 0.462 558 P HA -0.061 nan 4.420 nan 0.000 0.218 558 P C 0.433 177.732 177.300 -0.001 0.000 1.152 558 P CA 1.092 64.224 63.100 0.053 0.000 0.826 558 P CB 0.286 32.051 31.700 0.108 0.000 0.790 559 I N -2.144 118.415 120.570 -0.017 0.000 3.674 559 I HA 0.503 4.674 4.170 0.001 0.000 0.287 559 I C 0.073 176.150 176.117 -0.067 0.000 1.270 559 I CA -1.207 60.075 61.300 -0.030 0.000 0.949 559 I CB 0.404 38.411 38.000 0.012 0.000 1.474 559 I HN -0.180 nan 8.210 nan 0.000 0.636 560 K N -0.487 119.884 120.400 -0.049 0.000 2.137 560 K HA 0.806 5.126 4.320 0.001 0.000 0.251 560 K C -0.634 176.052 176.600 0.143 0.000 1.048 560 K CA -0.543 55.727 56.287 -0.028 0.000 0.873 560 K CB 1.885 34.163 32.500 -0.370 0.000 1.442 560 K HN 1.174 nan 8.250 nan 0.000 0.467 561 G N -0.608 108.337 108.800 0.241 0.000 2.346 561 G HA2 0.103 4.064 3.960 0.001 0.000 0.294 561 G HA3 0.103 4.064 3.960 0.001 0.000 0.294 561 G C -1.852 173.101 174.900 0.088 0.000 1.294 561 G CA -0.922 44.253 45.100 0.125 0.000 0.962 561 G HN 0.276 nan 8.290 nan 0.000 0.508 562 V N 2.220 122.103 119.914 -0.051 0.000 2.275 562 V HA 0.454 4.574 4.120 0.001 0.000 0.272 562 V C -1.782 174.128 176.094 -0.306 0.000 1.028 562 V CA -1.283 60.925 62.300 -0.154 0.000 0.810 562 V CB 1.133 32.901 31.823 -0.093 0.000 1.043 562 V HN 0.661 nan 8.190 nan 0.000 0.453 563 P HA 0.039 nan 4.420 nan 0.000 0.260 563 P C 0.702 177.777 177.300 -0.374 0.000 1.185 563 P CA 0.529 63.235 63.100 -0.657 0.000 0.763 563 P CB 0.901 31.812 31.700 -1.315 0.000 0.776 564 I N 0.412 120.815 120.570 -0.278 0.000 4.035 564 I HA 0.396 4.567 4.170 0.001 0.000 0.321 564 I C 0.419 176.452 176.117 -0.140 0.000 1.289 564 I CA 0.134 61.319 61.300 -0.192 0.000 1.236 564 I CB 0.517 38.401 38.000 -0.193 0.000 1.076 564 I HN 0.225 nan 8.210 nan 0.000 0.418 565 E N 1.432 121.550 120.200 -0.137 0.000 2.352 565 E HA 0.536 4.886 4.350 0.001 0.000 0.280 565 E C -2.028 174.548 176.600 -0.040 0.000 0.930 565 E CA -0.812 55.546 56.400 -0.069 0.000 0.765 565 E CB 2.820 32.501 29.700 -0.032 0.000 1.219 565 E HN 0.211 nan 8.360 nan 0.000 0.434 566 L N 3.561 124.781 121.223 -0.005 0.000 2.555 566 L HA 0.395 4.736 4.340 0.001 0.000 0.264 566 L C -1.768 175.151 176.870 0.081 0.000 0.972 566 L CA -0.218 54.646 54.840 0.040 0.000 0.876 566 L CB 1.542 43.602 42.059 0.003 0.000 1.216 566 L HN 0.446 nan 8.230 nan 0.000 0.415 567 Q N 2.797 122.691 119.800 0.156 0.000 2.301 567 Q HA 0.747 5.088 4.340 0.001 0.000 0.267 567 Q C -1.282 174.890 176.000 0.287 0.000 1.035 567 Q CA -0.527 55.389 55.803 0.188 0.000 0.856 567 Q CB 3.116 31.948 28.738 0.157 0.000 1.337 567 Q HN 0.521 nan 8.270 nan 0.000 0.450 568 V N 0.995 121.080 119.914 0.286 0.000 3.049 568 V HA 0.562 4.683 4.120 0.001 0.000 0.309 568 V C -1.751 174.560 176.094 0.363 0.000 1.148 568 V CA -0.563 61.952 62.300 0.358 0.000 0.990 568 V CB 2.368 34.397 31.823 0.344 0.000 1.039 568 V HN 0.904 nan 8.190 nan 0.000 0.430 569 E N 4.801 125.241 120.200 0.401 0.000 2.263 569 E HA 0.671 5.021 4.350 0.001 0.000 0.268 569 E C -1.535 175.306 176.600 0.403 0.000 0.884 569 E CA -0.681 55.964 56.400 0.407 0.000 0.766 569 E CB 1.751 31.726 29.700 0.457 0.000 1.196 569 E HN 0.589 nan 8.360 nan 0.000 0.416 570 c N 2.096 120.915 118.600 0.365 0.000 2.971 570 c HA 0.890 5.461 4.570 0.001 0.000 0.310 570 c C -1.163 173.167 174.090 0.400 0.000 1.285 570 c CA -0.806 55.679 56.329 0.260 0.000 1.593 570 c CB 0.588 43.161 42.510 0.104 0.000 2.076 570 c HN 0.887 nan 8.230 nan 0.000 0.472 571 F N -1.181 118.891 119.950 0.203 0.000 2.704 571 F HA 0.524 5.052 4.527 0.001 0.000 0.312 571 F C -0.297 175.669 175.800 0.277 0.000 1.108 571 F CA -0.793 57.331 58.000 0.206 0.000 1.005 571 F CB 0.045 39.163 39.000 0.196 0.000 1.277 571 F HN 0.574 nan 8.300 nan 0.000 0.445 572 T N -0.675 114.054 114.554 0.293 0.000 2.884 572 T HA 0.414 4.764 4.350 0.001 0.000 0.298 572 T C -1.314 173.674 174.700 0.481 0.000 0.998 572 T CA -0.124 62.142 62.100 0.278 0.000 1.124 572 T CB 1.206 70.186 68.868 0.187 0.000 0.931 572 T HN 0.872 nan 8.240 nan 0.000 0.531 573 W N 3.860 125.316 121.300 0.261 0.000 2.934 573 W HA 0.405 5.066 4.660 0.001 0.000 0.333 573 W C -0.687 175.952 176.519 0.200 0.000 1.035 573 W CA -0.406 57.079 57.345 0.234 0.000 1.256 573 W CB 0.988 30.552 29.460 0.173 0.000 1.306 573 W HN 0.917 nan 8.180 nan 0.000 0.430 574 D N 4.579 124.888 120.400 -0.152 0.000 2.746 574 D HA -0.259 4.382 4.640 0.001 0.000 0.236 574 D C 0.374 176.716 176.300 0.070 0.000 1.129 574 D CA 2.184 56.067 54.000 -0.195 0.000 0.691 574 D CB -1.004 39.545 40.800 -0.419 0.000 1.077 574 D HN 0.806 nan 8.370 nan 0.000 0.432 575 Q N -2.351 117.508 119.800 0.099 0.000 2.504 575 Q HA -0.224 4.117 4.340 0.001 0.000 0.274 575 Q C -0.344 175.731 176.000 0.125 0.000 1.103 575 Q CA 1.358 57.221 55.803 0.101 0.000 0.962 575 Q CB -1.197 27.571 28.738 0.050 0.000 1.322 575 Q HN 0.611 nan 8.270 nan 0.000 0.500 576 K N 0.265 120.782 120.400 0.196 0.000 2.556 576 K HA 0.549 4.870 4.320 0.001 0.000 0.274 576 K C -1.153 175.514 176.600 0.112 0.000 0.966 576 K CA -0.898 55.441 56.287 0.087 0.000 0.865 576 K CB 2.023 34.538 32.500 0.026 0.000 1.444 576 K HN 0.077 nan 8.250 nan 0.000 0.433 577 L N 2.444 123.630 121.223 -0.063 0.000 2.257 577 L HA 0.408 4.748 4.340 0.001 0.000 0.290 577 L C -1.458 175.237 176.870 -0.292 0.000 1.044 577 L CA -0.489 54.311 54.840 -0.067 0.000 0.810 577 L CB 0.335 42.379 42.059 -0.025 0.000 1.193 577 L HN 0.596 nan 8.230 nan 0.000 0.425 578 W N 4.858 125.888 121.300 -0.449 0.000 2.433 578 W HA 0.469 5.129 4.660 0.001 0.000 0.315 578 W C -0.365 175.801 176.519 -0.589 0.000 1.087 578 W CA -0.164 56.820 57.345 -0.602 0.000 1.205 578 W CB 1.550 30.482 29.460 -0.879 0.000 1.288 578 W HN 0.434 nan 8.180 nan 0.000 0.504 579 c N 3.276 121.754 118.600 -0.204 0.000 2.634 579 c HA 0.702 5.272 4.570 0.001 0.000 0.313 579 c C -0.186 173.946 174.090 0.070 0.000 1.198 579 c CA -1.173 55.098 56.329 -0.097 0.000 1.605 579 c CB 1.887 44.118 42.510 -0.465 0.000 2.196 579 c HN 0.672 nan 8.230 nan 0.000 0.486 580 R N 2.241 122.840 120.500 0.164 0.000 2.534 580 R HA 0.571 4.912 4.340 0.001 0.000 0.301 580 R C -0.928 175.407 176.300 0.057 0.000 0.961 580 R CA -0.210 55.878 56.100 -0.019 0.000 0.871 580 R CB 0.864 31.145 30.300 -0.032 0.000 1.170 580 R HN 1.048 nan 8.270 nan 0.000 0.446 581 H N 2.462 121.430 119.070 -0.171 0.000 2.572 581 H HA 0.425 4.982 4.556 0.001 0.000 0.359 581 H C -1.503 173.611 175.328 -0.357 0.000 1.134 581 H CA -0.752 55.243 56.048 -0.089 0.000 1.187 581 H CB 1.400 31.084 29.762 -0.130 0.000 1.597 581 H HN 0.296 nan 8.280 nan 0.000 0.524 582 F N 1.512 121.516 119.950 0.088 0.000 2.482 582 F HA 0.432 4.960 4.527 0.001 0.000 0.331 582 F C -0.117 175.742 175.800 0.099 0.000 1.115 582 F CA -0.786 57.236 58.000 0.037 0.000 0.955 582 F CB 1.845 40.847 39.000 0.003 0.000 1.136 582 F HN 0.626 nan 8.300 nan 0.000 0.452 583 C N 4.107 123.551 119.300 0.240 0.000 2.608 583 C HA 0.842 5.303 4.460 0.001 0.000 0.325 583 C C -1.164 173.883 174.990 0.095 0.000 1.147 583 C CA -0.576 58.537 59.018 0.158 0.000 1.359 583 C CB 0.686 28.525 27.740 0.165 0.000 1.912 583 C HN 0.613 nan 8.230 nan 0.000 0.466 584 V N 7.290 127.211 119.914 0.012 0.000 2.370 584 V HA 0.506 4.626 4.120 0.001 0.000 0.283 584 V C -0.042 175.962 176.094 -0.151 0.000 1.023 584 V CA -0.281 61.989 62.300 -0.051 0.000 0.857 584 V CB 0.915 32.696 31.823 -0.070 0.000 0.985 584 V HN 0.733 nan 8.190 nan 0.000 0.443 585 L N 3.376 124.517 121.223 -0.135 0.000 2.635 585 L HA 0.883 5.224 4.340 0.001 0.000 0.250 585 L C 0.624 177.361 176.870 -0.222 0.000 1.117 585 L CA -0.237 54.498 54.840 -0.174 0.000 0.834 585 L CB 0.839 42.858 42.059 -0.068 0.000 1.544 585 L HN 0.717 nan 8.230 nan 0.000 0.511 586 A N 0.042 122.773 122.820 -0.147 0.000 3.370 586 A HA 0.331 4.651 4.320 0.001 0.000 0.295 586 A C -0.720 176.850 177.584 -0.024 0.000 1.030 586 A CA -0.512 51.470 52.037 -0.091 0.000 0.883 586 A CB -0.392 18.551 19.000 -0.096 0.000 1.191 586 A HN 0.566 nan 8.150 nan 0.000 0.507 587 D N 1.265 121.665 120.400 0.000 0.000 2.563 587 D HA -0.038 4.603 4.640 0.001 0.000 0.229 587 D C 1.536 177.851 176.300 0.025 0.000 1.159 587 D CA 1.315 55.328 54.000 0.022 0.000 0.869 587 D CB 0.886 41.704 40.800 0.030 0.000 1.203 587 D HN 0.508 nan 8.370 nan 0.000 0.478 588 S N 1.444 117.159 115.700 0.025 0.000 2.660 588 S HA 0.034 4.505 4.470 0.001 0.000 0.223 588 S C 0.767 175.376 174.600 0.016 0.000 0.963 588 S CA 0.186 58.398 58.200 0.020 0.000 0.932 588 S CB 0.273 63.482 63.200 0.014 0.000 0.775 588 S HN 0.583 nan 8.310 nan 0.000 0.531 589 E N 0.647 120.858 120.200 0.019 0.000 2.892 589 E HA 0.437 4.787 4.350 0.001 0.000 0.160 589 E C -0.849 175.765 176.600 0.023 0.000 0.783 589 E CA -0.901 55.510 56.400 0.018 0.000 0.983 589 E CB 0.910 30.619 29.700 0.015 0.000 1.958 589 E HN 0.159 nan 8.360 nan 0.000 0.371 590 S N 0.443 116.156 115.700 0.022 0.000 2.715 590 S HA 0.080 4.551 4.470 0.001 0.000 0.318 590 S C 0.749 175.370 174.600 0.034 0.000 1.242 590 S CA 0.874 59.089 58.200 0.024 0.000 1.044 590 S CB -0.242 62.971 63.200 0.022 0.000 0.760 590 S HN 0.804 nan 8.310 nan 0.000 0.501 591 G N 3.466 112.286 108.800 0.034 0.000 2.699 591 G HA2 -0.210 3.751 3.960 0.001 0.000 0.347 591 G HA3 -0.210 3.751 3.960 0.001 0.000 0.347 591 G C 0.893 175.837 174.900 0.073 0.000 1.225 591 G CA 0.877 46.006 45.100 0.048 0.000 0.973 591 G HN 1.890 nan 8.290 nan 0.000 0.551 592 G N -3.191 105.670 108.800 0.102 0.000 3.859 592 G HA2 0.087 4.047 3.960 0.001 0.000 0.198 592 G HA3 0.087 4.047 3.960 0.001 0.000 0.198 592 G C 0.083 175.039 174.900 0.094 0.000 0.972 592 G CA 0.745 45.904 45.100 0.098 0.000 0.882 592 G HN 1.122 nan 8.290 nan 0.000 0.364 593 H N 1.893 120.968 119.070 0.009 0.000 3.232 593 H HA 0.563 5.120 4.556 0.001 0.000 0.254 593 H C 0.440 175.784 175.328 0.025 0.000 1.213 593 H CA 0.637 56.693 56.048 0.013 0.000 1.503 593 H CB -0.335 29.433 29.762 0.010 0.000 1.563 593 H HN 0.618 nan 8.280 nan 0.000 0.490 594 I N -0.449 120.155 120.570 0.056 0.000 2.644 594 I HA 0.391 4.562 4.170 0.001 0.000 0.291 594 I C -0.738 175.418 176.117 0.065 0.000 1.180 594 I CA -0.947 60.395 61.300 0.071 0.000 1.040 594 I CB 2.442 40.486 38.000 0.073 0.000 1.255 594 I HN 0.100 nan 8.210 nan 0.000 0.422 595 T N 4.427 119.032 114.554 0.085 0.000 2.728 595 T HA 0.211 4.562 4.350 0.001 0.000 0.296 595 T C -0.338 174.422 174.700 0.101 0.000 0.940 595 T CA 0.016 62.176 62.100 0.099 0.000 1.013 595 T CB -0.227 68.708 68.868 0.112 0.000 0.912 595 T HN 0.532 nan 8.240 nan 0.000 0.484 596 H N 2.513 121.595 119.070 0.021 0.000 2.556 596 H HA 0.486 5.043 4.556 0.001 0.000 0.310 596 H C -0.884 174.380 175.328 -0.107 0.000 1.057 596 H CA -0.246 55.796 56.048 -0.010 0.000 1.264 596 H CB 1.137 30.925 29.762 0.043 0.000 1.404 596 H HN 0.551 nan 8.280 nan 0.000 0.462 597 S N 3.146 118.430 115.700 -0.693 0.000 2.503 597 S HA 0.749 5.220 4.470 0.001 0.000 0.301 597 S C -0.577 173.375 174.600 -1.081 0.000 1.087 597 S CA -0.196 57.446 58.200 -0.930 0.000 1.042 597 S CB 1.268 63.935 63.200 -0.888 0.000 1.043 597 S HN 0.962 nan 8.310 nan 0.000 0.489 598 G N 3.039 111.009 108.800 -1.384 0.000 2.766 598 G HA2 0.519 4.479 3.960 0.001 0.000 0.297 598 G HA3 0.519 4.479 3.960 0.001 0.000 0.297 598 G C -1.452 173.075 174.900 -0.622 0.000 1.431 598 G CA -0.651 43.924 45.100 -0.875 0.000 1.042 598 G HN 0.746 nan 8.290 nan 0.000 0.542 599 M N 2.454 121.931 119.600 -0.204 0.000 2.472 599 M HA 0.827 5.308 4.480 0.001 0.000 0.331 599 M C -1.260 175.090 176.300 0.084 0.000 1.170 599 M CA -0.935 54.352 55.300 -0.022 0.000 1.009 599 M CB 2.170 34.760 32.600 -0.017 0.000 1.672 599 M HN 0.646 nan 8.290 nan 0.000 0.453 600 V N 3.316 123.250 119.914 0.033 0.000 2.969 600 V HA 0.870 4.990 4.120 0.001 0.000 0.304 600 V C -0.882 174.686 176.094 -0.877 0.000 1.192 600 V CA -0.247 61.864 62.300 -0.315 0.000 0.962 600 V CB 2.282 33.993 31.823 -0.188 0.000 1.045 600 V HN 0.963 nan 8.190 nan 0.000 0.428 601 G N 5.294 113.076 108.800 -1.698 0.000 2.379 601 G HA2 0.694 4.655 3.960 0.001 0.000 0.327 601 G HA3 0.694 4.655 3.960 0.001 0.000 0.327 601 G C -0.978 173.294 174.900 -1.047 0.000 1.145 601 G CA -0.756 43.018 45.100 -2.210 0.000 0.905 601 G HN 0.715 nan 8.290 nan 0.000 0.466 602 M N 1.729 120.876 119.600 -0.755 0.000 2.253 602 M HA 0.472 4.953 4.480 0.001 0.000 0.314 602 M C 0.128 176.168 176.300 -0.434 0.000 1.019 602 M CA -0.546 54.389 55.300 -0.609 0.000 0.932 602 M CB 2.689 34.987 32.600 -0.502 0.000 1.606 602 M HN 0.566 nan 8.290 nan 0.000 0.430 603 G N 2.724 111.263 108.800 -0.436 0.000 2.660 603 G HA2 0.561 4.522 3.960 0.001 0.000 0.305 603 G HA3 0.561 4.522 3.960 0.001 0.000 0.305 603 G C -0.766 173.902 174.900 -0.387 0.000 1.329 603 G CA -0.431 44.480 45.100 -0.316 0.000 1.000 603 G HN 0.532 nan 8.290 nan 0.000 0.514 604 V N 2.283 121.921 119.914 -0.461 0.000 2.555 604 V HA 0.507 4.628 4.120 0.001 0.000 0.286 604 V C 0.321 176.205 176.094 -0.351 0.000 1.044 604 V CA -0.041 61.924 62.300 -0.558 0.000 1.026 604 V CB 0.709 32.020 31.823 -0.853 0.000 0.981 604 V HN 0.817 nan 8.190 nan 0.000 0.480 605 S N 3.300 118.818 115.700 -0.304 0.000 2.588 605 S HA 0.710 5.180 4.470 0.001 0.000 0.275 605 S C -0.611 173.872 174.600 -0.195 0.000 1.130 605 S CA -0.718 57.359 58.200 -0.204 0.000 0.855 605 S CB 1.893 64.997 63.200 -0.161 0.000 1.116 605 S HN 0.897 nan 8.310 nan 0.000 0.472 606 c N 0.000 118.514 118.600 -0.144 0.000 2.653 606 c HA 0.000 4.571 4.570 0.001 0.000 0.325 606 c CA 0.000 56.251 56.329 -0.130 0.000 1.963 606 c CB 0.000 42.443 42.510 -0.112 0.000 2.134 606 c HN 0.000 nan 8.230 nan 0.000 0.568