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 2jj2_1_H DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLSKI RTDGKISEES DAKLKEIVTN FLAGFEA 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 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.286 176.300 -0.023 0.000 2.045 24 D CA 0.000 53.993 54.000 -0.012 0.000 0.868 24 D CB 0.000 40.791 40.800 -0.016 0.000 0.688 25 L N 2.794 123.998 121.223 -0.032 0.000 2.653 25 L HA 0.299 4.639 4.340 -0.000 0.000 0.232 25 L C 1.606 178.426 176.870 -0.083 0.000 1.169 25 L CA 0.130 54.929 54.840 -0.069 0.000 0.951 25 L CB 0.162 42.167 42.059 -0.091 0.000 1.181 25 L HN 0.399 nan 8.230 nan 0.000 0.460 26 E N -0.118 120.048 120.200 -0.057 0.000 2.206 26 E HA -0.008 4.342 4.350 -0.000 0.000 0.195 26 E C 1.200 177.768 176.600 -0.053 0.000 0.935 26 E CA 0.434 56.802 56.400 -0.054 0.000 0.875 26 E CB 0.512 30.189 29.700 -0.038 0.000 0.841 26 E HN 0.368 nan 8.360 nan 0.000 0.477 27 E N 0.575 120.746 120.200 -0.048 0.000 2.447 27 E HA 0.036 4.386 4.350 -0.000 0.000 0.204 27 E C 1.005 177.571 176.600 -0.057 0.000 0.977 27 E CA 0.464 56.835 56.400 -0.049 0.000 0.950 27 E CB 1.018 30.695 29.700 -0.039 0.000 0.975 27 E HN 0.194 nan 8.360 nan 0.000 0.496 28 T N -2.005 112.516 114.554 -0.055 0.000 2.910 28 T HA 0.773 5.123 4.350 -0.000 0.000 0.287 28 T C 0.278 174.940 174.700 -0.063 0.000 1.050 28 T CA -0.432 61.633 62.100 -0.058 0.000 1.011 28 T CB 2.566 71.410 68.868 -0.039 0.000 1.195 28 T HN 0.010 nan 8.240 nan 0.000 0.540 29 G N 0.120 108.886 108.800 -0.056 0.000 2.721 29 G HA2 0.716 4.676 3.960 -0.000 0.000 0.296 29 G HA3 0.716 4.676 3.960 -0.000 0.000 0.296 29 G C -1.614 173.294 174.900 0.014 0.000 1.383 29 G CA -1.310 43.769 45.100 -0.035 0.000 0.788 29 G HN 0.991 nan 8.290 nan 0.000 0.500 30 R N -0.831 119.713 120.500 0.072 0.000 2.744 30 R HA 0.697 5.037 4.340 -0.000 0.000 0.279 30 R C -1.232 175.136 176.300 0.114 0.000 0.977 30 R CA -0.774 55.381 56.100 0.091 0.000 0.906 30 R CB 2.012 32.368 30.300 0.094 0.000 1.197 30 R HN 0.293 nan 8.270 nan 0.000 0.463 31 V N 3.992 123.978 119.914 0.120 0.000 2.529 31 V HA -0.007 4.113 4.120 -0.000 0.000 0.292 31 V C 1.383 177.531 176.094 0.091 0.000 1.028 31 V CA 0.199 62.577 62.300 0.131 0.000 1.074 31 V CB 0.643 32.561 31.823 0.160 0.000 0.958 31 V HN 0.713 nan 8.190 nan 0.000 0.481 32 L N 3.935 125.209 121.223 0.086 0.000 2.145 32 L HA 0.139 4.479 4.340 -0.000 0.000 0.201 32 L C 0.929 177.824 176.870 0.041 0.000 1.075 32 L CA 0.881 55.753 54.840 0.053 0.000 0.773 32 L CB 0.095 42.186 42.059 0.053 0.000 0.936 32 L HN 0.818 nan 8.230 nan 0.000 0.451 33 S N -0.973 114.757 115.700 0.049 0.000 2.541 33 S HA 0.646 5.116 4.470 -0.000 0.000 0.271 33 S C -1.024 173.599 174.600 0.039 0.000 1.133 33 S CA -0.736 57.484 58.200 0.034 0.000 0.876 33 S CB 2.640 65.854 63.200 0.025 0.000 1.105 33 S HN 0.030 nan 8.310 nan 0.000 0.470 34 I N 0.905 121.487 120.570 0.019 0.000 2.569 34 I HA 0.885 5.055 4.170 -0.000 0.000 0.290 34 I C -0.343 175.768 176.117 -0.010 0.000 1.088 34 I CA 0.262 61.564 61.300 0.003 0.000 1.047 34 I CB 1.555 39.542 38.000 -0.021 0.000 1.237 34 I HN 1.271 nan 8.210 nan 0.000 0.421 35 G N 4.351 113.143 108.800 -0.014 0.000 2.556 35 G HA2 0.384 4.344 3.960 -0.000 0.000 0.294 35 G HA3 0.384 4.344 3.960 -0.000 0.000 0.294 35 G C -1.281 173.607 174.900 -0.020 0.000 1.516 35 G CA -0.549 44.539 45.100 -0.019 0.000 0.824 35 G HN 0.644 nan 8.290 nan 0.000 0.535 36 D N -0.312 120.073 120.400 -0.025 0.000 2.708 36 D HA -0.178 4.462 4.640 -0.000 0.000 0.236 36 D C 1.625 177.909 176.300 -0.027 0.000 1.146 36 D CA 2.702 56.686 54.000 -0.026 0.000 0.662 36 D CB -1.135 39.648 40.800 -0.027 0.000 1.059 36 D HN 2.232 nan 8.370 nan 0.000 0.428 37 G N -0.774 108.009 108.800 -0.028 0.000 2.168 37 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.257 37 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.257 37 G C 0.221 175.125 174.900 0.007 0.000 0.997 37 G CA 0.425 45.513 45.100 -0.019 0.000 0.708 37 G HN 0.514 nan 8.290 nan 0.000 0.520 38 I N 0.647 121.220 120.570 0.006 0.000 2.382 38 I HA 0.677 4.847 4.170 -0.000 0.000 0.286 38 I C 0.454 176.600 176.117 0.050 0.000 1.002 38 I CA -1.186 60.136 61.300 0.036 0.000 1.135 38 I CB 1.145 39.155 38.000 0.017 0.000 1.288 38 I HN 0.287 nan 8.210 nan 0.000 0.448 39 A N 7.617 130.504 122.820 0.113 0.000 2.292 39 A HA 0.730 5.050 4.320 -0.000 0.000 0.319 39 A C -0.084 177.587 177.584 0.144 0.000 1.206 39 A CA -0.723 51.405 52.037 0.152 0.000 0.835 39 A CB 0.824 20.014 19.000 0.317 0.000 1.164 39 A HN 0.557 nan 8.150 nan 0.000 0.505 40 R N 2.008 122.573 120.500 0.108 0.000 2.207 40 R HA 0.446 4.786 4.340 -0.000 0.000 0.334 40 R C -1.066 175.296 176.300 0.104 0.000 1.013 40 R CA -0.362 55.791 56.100 0.089 0.000 0.858 40 R CB 0.970 31.308 30.300 0.063 0.000 1.094 40 R HN 0.434 nan 8.270 nan 0.000 0.457 41 V N 3.552 123.523 119.914 0.094 0.000 2.459 41 V HA 0.168 4.288 4.120 -0.000 0.000 0.295 41 V C 0.069 176.218 176.094 0.090 0.000 1.029 41 V CA -0.969 61.385 62.300 0.090 0.000 0.874 41 V CB 1.466 33.313 31.823 0.042 0.000 0.985 41 V HN 0.686 nan 8.190 nan 0.000 0.438 42 H N 3.238 122.319 119.070 0.017 0.000 2.582 42 H HA 0.623 5.179 4.556 -0.000 0.000 0.345 42 H C 0.631 175.959 175.328 -0.001 0.000 1.104 42 H CA 1.347 57.400 56.048 0.009 0.000 1.390 42 H CB 1.069 30.837 29.762 0.011 0.000 1.461 42 H HN 1.067 nan 8.280 nan 0.000 0.551 43 G N 2.978 111.367 108.800 -0.685 0.000 2.498 43 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.251 43 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.251 43 G C 0.002 174.775 174.900 -0.211 0.000 1.170 43 G CA -0.301 44.517 45.100 -0.471 0.000 0.944 43 G HN 1.266 nan 8.290 nan 0.000 0.567 44 L N -0.321 120.816 121.223 -0.145 0.000 3.739 44 L HA -0.221 4.119 4.340 -0.000 0.000 0.442 44 L C 2.217 179.034 176.870 -0.088 0.000 1.241 44 L CA 0.790 55.570 54.840 -0.101 0.000 0.819 44 L CB -0.713 41.291 42.059 -0.091 0.000 1.679 44 L HN 0.654 nan 8.230 nan 0.000 0.889 45 R N -0.102 120.343 120.500 -0.091 0.000 2.152 45 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 45 R C 1.405 177.675 176.300 -0.049 0.000 1.117 45 R CA 1.187 57.245 56.100 -0.070 0.000 0.981 45 R CB -0.384 29.876 30.300 -0.067 0.000 0.870 45 R HN 0.579 nan 8.270 nan 0.000 0.451 46 N N 0.652 119.323 118.700 -0.048 0.000 2.280 46 N HA -0.001 4.739 4.740 -0.000 0.000 0.192 46 N C 0.223 175.711 175.510 -0.036 0.000 1.109 46 N CA 0.079 53.106 53.050 -0.037 0.000 0.855 46 N CB 0.368 38.835 38.487 -0.035 0.000 0.974 46 N HN 0.042 nan 8.380 nan 0.000 0.482 47 V N -0.126 119.762 119.914 -0.042 0.000 2.788 47 V HA 0.018 4.138 4.120 -0.000 0.000 0.307 47 V C 0.434 176.513 176.094 -0.025 0.000 1.069 47 V CA -0.396 61.880 62.300 -0.039 0.000 1.173 47 V CB 0.248 32.044 31.823 -0.046 0.000 0.925 47 V HN 0.072 nan 8.190 nan 0.000 0.492 48 Q N 2.429 122.217 119.800 -0.021 0.000 2.227 48 Q HA 0.677 5.017 4.340 -0.000 0.000 0.245 48 Q C 0.266 176.266 176.000 0.000 0.000 0.926 48 Q CA -0.402 55.396 55.803 -0.009 0.000 0.895 48 Q CB 1.582 30.314 28.738 -0.009 0.000 1.230 48 Q HN 1.140 nan 8.270 nan 0.000 0.450 49 A N 2.033 124.860 122.820 0.011 0.000 2.524 49 A HA 0.034 4.354 4.320 -0.000 0.000 0.250 49 A C 0.045 177.648 177.584 0.031 0.000 1.078 49 A CA 0.357 52.410 52.037 0.026 0.000 0.761 49 A CB -0.349 18.671 19.000 0.034 0.000 1.012 49 A HN 0.958 nan 8.150 nan 0.000 0.500 50 E N -0.346 119.881 120.200 0.046 0.000 3.547 50 E HA -0.184 4.166 4.350 -0.000 0.000 0.309 50 E C 0.125 176.746 176.600 0.036 0.000 0.855 50 E CA 1.105 57.542 56.400 0.062 0.000 1.122 50 E CB -1.432 28.305 29.700 0.061 0.000 1.569 50 E HN 0.936 nan 8.360 nan 0.000 0.429 51 E N 0.707 120.913 120.200 0.010 0.000 2.354 51 E HA 0.155 4.505 4.350 -0.000 0.000 0.269 51 E C 0.031 176.605 176.600 -0.043 0.000 1.036 51 E CA -0.335 56.053 56.400 -0.020 0.000 0.876 51 E CB 0.607 30.288 29.700 -0.032 0.000 1.009 51 E HN 0.001 nan 8.360 nan 0.000 0.416 52 M N 5.048 124.602 119.600 -0.077 0.000 2.156 52 M HA 0.113 4.593 4.480 -0.000 0.000 0.345 52 M C -0.175 176.032 176.300 -0.154 0.000 1.398 52 M CA -0.249 54.964 55.300 -0.145 0.000 1.148 52 M CB 0.298 32.792 32.600 -0.177 0.000 1.663 52 M HN 0.378 nan 8.290 nan 0.000 0.464 53 V N 1.691 121.493 119.914 -0.188 0.000 3.211 53 V HA 0.661 4.781 4.120 -0.000 0.000 0.319 53 V C -0.337 175.595 176.094 -0.271 0.000 1.096 53 V CA -0.810 61.353 62.300 -0.229 0.000 1.029 53 V CB 1.901 33.553 31.823 -0.284 0.000 1.137 53 V HN 0.863 nan 8.190 nan 0.000 0.453 54 E N -0.014 120.012 120.200 -0.291 0.000 2.263 54 E HA 0.495 4.845 4.350 -0.000 0.000 0.268 54 E C -1.685 174.769 176.600 -0.244 0.000 0.884 54 E CA -0.674 55.603 56.400 -0.205 0.000 0.766 54 E CB 1.675 31.319 29.700 -0.093 0.000 1.196 54 E HN 0.607 nan 8.360 nan 0.000 0.416 55 F N 1.509 121.450 119.950 -0.015 0.000 2.406 55 F HA 0.052 4.579 4.527 -0.000 0.000 0.327 55 F C 2.085 177.886 175.800 0.000 0.000 1.153 55 F CA 0.186 58.185 58.000 -0.000 0.000 1.218 55 F CB 1.211 40.218 39.000 0.011 0.000 1.215 55 F HN 0.591 nan 8.300 nan 0.000 0.570 56 S N -0.542 115.275 115.700 0.196 0.000 2.440 56 S HA -0.189 4.281 4.470 -0.000 0.000 0.238 56 S C 1.725 176.381 174.600 0.093 0.000 1.010 56 S CA 1.224 59.487 58.200 0.105 0.000 0.972 56 S CB -0.861 62.389 63.200 0.083 0.000 0.774 56 S HN 0.681 nan 8.310 nan 0.000 0.501 57 S N -0.127 115.641 115.700 0.114 0.000 2.562 57 S HA 0.471 4.941 4.470 -0.000 0.000 0.221 57 S C 1.607 176.251 174.600 0.074 0.000 0.975 57 S CA 0.486 58.730 58.200 0.073 0.000 0.918 57 S CB -0.383 62.846 63.200 0.050 0.000 0.772 57 S HN 1.480 nan 8.310 nan 0.000 0.531 58 G N 0.682 109.543 108.800 0.101 0.000 2.195 58 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.224 58 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.224 58 G C -0.037 174.926 174.900 0.105 0.000 0.990 58 G CA -0.089 45.060 45.100 0.082 0.000 0.639 58 G HN 0.492 nan 8.290 nan 0.000 0.514 59 L N 1.204 122.517 121.223 0.149 0.000 2.485 59 L HA 0.325 4.665 4.340 -0.000 0.000 0.275 59 L C 0.726 177.770 176.870 0.290 0.000 1.207 59 L CA -0.240 54.707 54.840 0.178 0.000 0.855 59 L CB 0.445 42.560 42.059 0.094 0.000 1.114 59 L HN -0.027 nan 8.230 nan 0.000 0.485 60 K N 1.897 122.400 120.400 0.172 0.000 2.090 60 K HA 0.687 5.007 4.320 -0.000 0.000 0.250 60 K C 0.115 176.788 176.600 0.121 0.000 1.004 60 K CA -0.463 55.830 56.287 0.009 0.000 0.919 60 K CB 1.477 33.812 32.500 -0.275 0.000 1.045 60 K HN 0.740 nan 8.250 nan 0.000 0.471 61 G N -0.162 108.600 108.800 -0.064 0.000 2.690 61 G HA2 0.627 4.587 3.960 -0.000 0.000 0.291 61 G HA3 0.627 4.587 3.960 -0.000 0.000 0.291 61 G C -1.558 173.305 174.900 -0.062 0.000 1.403 61 G CA -0.700 44.499 45.100 0.165 0.000 0.864 61 G HN 0.431 nan 8.290 nan 0.000 0.480 62 M N 1.002 120.738 119.600 0.226 0.000 2.321 62 M HA 0.505 4.985 4.480 -0.000 0.000 0.315 62 M C -0.392 176.000 176.300 0.152 0.000 1.052 62 M CA -0.502 54.909 55.300 0.185 0.000 0.936 62 M CB 1.841 34.687 32.600 0.409 0.000 1.639 62 M HN 0.316 nan 8.290 nan 0.000 0.433 63 S N 5.923 121.667 115.700 0.075 0.000 3.072 63 S HA 0.247 4.717 4.470 -0.000 0.000 0.306 63 S C 0.889 175.531 174.600 0.070 0.000 1.207 63 S CA -0.381 57.851 58.200 0.054 0.000 1.008 63 S CB -0.332 62.873 63.200 0.009 0.000 1.390 63 S HN 0.729 nan 8.310 nan 0.000 0.523 64 L N 1.547 122.821 121.223 0.084 0.000 2.253 64 L HA 0.185 4.525 4.340 -0.000 0.000 0.205 64 L C 0.190 177.093 176.870 0.055 0.000 1.078 64 L CA 0.475 55.363 54.840 0.080 0.000 0.805 64 L CB -0.029 42.078 42.059 0.079 0.000 0.963 64 L HN 0.342 nan 8.230 nan 0.000 0.459 65 N N 0.808 119.534 118.700 0.042 0.000 2.444 65 N HA 0.406 5.146 4.740 -0.000 0.000 0.262 65 N C -1.066 174.460 175.510 0.028 0.000 0.974 65 N CA -0.054 53.015 53.050 0.032 0.000 0.933 65 N CB 1.269 39.770 38.487 0.023 0.000 1.137 65 N HN 0.004 nan 8.380 nan 0.000 0.498 66 L N 1.954 123.191 121.223 0.024 0.000 2.262 66 L HA 0.451 4.790 4.340 -0.000 0.000 0.288 66 L C 0.374 177.252 176.870 0.014 0.000 1.035 66 L CA -0.416 54.434 54.840 0.015 0.000 0.820 66 L CB 0.803 42.869 42.059 0.011 0.000 1.204 66 L HN 0.362 nan 8.230 nan 0.000 0.424 67 E N 3.356 123.564 120.200 0.014 0.000 2.299 67 E HA 0.344 4.694 4.350 -0.000 0.000 0.260 67 E C -1.742 174.866 176.600 0.013 0.000 0.944 67 E CA -1.743 54.666 56.400 0.015 0.000 0.815 67 E CB 1.801 31.512 29.700 0.019 0.000 1.252 67 E HN 0.271 nan 8.360 nan 0.000 0.418 68 P HA -0.194 nan 4.420 nan 0.000 0.215 68 P C 0.490 177.802 177.300 0.021 0.000 1.157 68 P CA 1.453 64.561 63.100 0.014 0.000 0.874 68 P CB 0.153 31.862 31.700 0.016 0.000 0.790 69 D N -2.048 118.373 120.400 0.035 0.000 2.407 69 D HA 0.038 4.678 4.640 -0.000 0.000 0.208 69 D C 0.195 176.546 176.300 0.085 0.000 1.083 69 D CA -0.022 54.017 54.000 0.065 0.000 0.844 69 D CB -0.663 40.177 40.800 0.066 0.000 0.967 69 D HN 0.387 nan 8.370 nan 0.000 0.506 70 N N -1.346 117.385 118.700 0.051 0.000 2.823 70 N HA 0.409 5.149 4.740 -0.000 0.000 0.251 70 N C -1.836 173.690 175.510 0.026 0.000 1.392 70 N CA -1.009 52.071 53.050 0.051 0.000 0.864 70 N CB 1.898 40.423 38.487 0.064 0.000 1.481 70 N HN -0.221 nan 8.380 nan 0.000 0.508 71 V N 0.169 120.098 119.914 0.024 0.000 2.398 71 V HA 0.694 4.814 4.120 -0.000 0.000 0.286 71 V C 0.727 176.846 176.094 0.041 0.000 1.026 71 V CA -0.706 61.606 62.300 0.020 0.000 0.868 71 V CB 1.150 32.972 31.823 -0.002 0.000 0.982 71 V HN 0.879 nan 8.190 nan 0.000 0.443 72 G N 4.023 112.848 108.800 0.042 0.000 2.444 72 G HA2 0.468 4.428 3.960 -0.000 0.000 0.303 72 G HA3 0.468 4.428 3.960 -0.000 0.000 0.303 72 G C -0.482 174.463 174.900 0.075 0.000 1.032 72 G CA -0.132 45.001 45.100 0.054 0.000 1.137 72 G HN 0.536 nan 8.290 nan 0.000 0.430 73 V N 3.494 123.477 119.914 0.115 0.000 2.394 73 V HA 0.240 4.360 4.120 -0.000 0.000 0.282 73 V C 0.242 176.467 176.094 0.217 0.000 1.031 73 V CA -0.812 61.590 62.300 0.170 0.000 0.881 73 V CB 1.731 33.681 31.823 0.212 0.000 0.982 73 V HN 0.395 nan 8.190 nan 0.000 0.451 74 V N 6.410 126.465 119.914 0.234 0.000 2.406 74 V HA 0.279 4.399 4.120 -0.000 0.000 0.272 74 V C 0.055 176.381 176.094 0.387 0.000 1.043 74 V CA -0.144 62.295 62.300 0.232 0.000 0.915 74 V CB 1.853 33.780 31.823 0.174 0.000 0.988 74 V HN 0.668 nan 8.190 nan 0.000 0.466 75 V N 7.407 127.481 119.914 0.266 0.000 2.461 75 V HA 0.283 4.403 4.120 -0.000 0.000 0.275 75 V C -0.068 176.221 176.094 0.325 0.000 1.047 75 V CA -0.278 62.192 62.300 0.284 0.000 0.955 75 V CB 0.952 32.785 31.823 0.017 0.000 0.988 75 V HN 0.680 nan 8.190 nan 0.000 0.471 76 F N 4.644 124.650 119.950 0.093 0.000 2.541 76 F HA 0.682 5.209 4.527 -0.000 0.000 0.351 76 F C 0.985 176.811 175.800 0.043 0.000 1.209 76 F CA -0.080 57.968 58.000 0.078 0.000 1.277 76 F CB 0.217 39.277 39.000 0.099 0.000 1.632 76 F HN 0.744 nan 8.300 nan 0.000 0.619 77 G N 1.036 109.914 108.800 0.130 0.000 2.362 77 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.288 77 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.288 77 G C -1.511 173.395 174.900 0.010 0.000 1.305 77 G CA -1.288 43.851 45.100 0.066 0.000 0.910 77 G HN 0.222 nan 8.290 nan 0.000 0.518 78 N N 0.262 118.959 118.700 -0.005 0.000 2.513 78 N HA 0.165 4.905 4.740 -0.000 0.000 0.268 78 N C 0.647 176.122 175.510 -0.058 0.000 1.180 78 N CA -0.062 52.973 53.050 -0.025 0.000 0.948 78 N CB 1.229 39.707 38.487 -0.015 0.000 1.083 78 N HN 0.416 nan 8.380 nan 0.000 0.455 79 D N 2.478 122.840 120.400 -0.064 0.000 2.219 79 D HA -0.181 4.459 4.640 -0.000 0.000 0.205 79 D C 1.550 177.802 176.300 -0.081 0.000 0.970 79 D CA 1.088 55.033 54.000 -0.091 0.000 0.851 79 D CB 0.079 40.838 40.800 -0.069 0.000 0.943 79 D HN 0.748 nan 8.370 nan 0.000 0.488 80 K N 0.796 121.165 120.400 -0.052 0.000 2.286 80 K HA -0.135 4.185 4.320 -0.000 0.000 0.203 80 K C 1.708 178.283 176.600 -0.042 0.000 1.045 80 K CA 1.008 57.272 56.287 -0.038 0.000 0.935 80 K CB -0.396 32.090 32.500 -0.024 0.000 0.737 80 K HN 0.190 nan 8.250 nan 0.000 0.460 81 L N 0.835 122.024 121.223 -0.057 0.000 2.599 81 L HA 0.223 4.563 4.340 -0.000 0.000 0.230 81 L C 0.575 177.402 176.870 -0.072 0.000 1.141 81 L CA 0.023 54.833 54.840 -0.051 0.000 0.877 81 L CB -0.051 41.982 42.059 -0.043 0.000 1.009 81 L HN 0.163 nan 8.230 nan 0.000 0.447 82 I N -0.011 120.491 120.570 -0.113 0.000 2.406 82 I HA 0.278 4.448 4.170 -0.000 0.000 0.290 82 I C -0.239 175.846 176.117 -0.054 0.000 0.999 82 I CA -0.403 60.823 61.300 -0.123 0.000 1.124 82 I CB 1.646 39.455 38.000 -0.318 0.000 1.289 82 I HN -0.052 nan 8.210 nan 0.000 0.441 83 K N 4.301 124.698 120.400 -0.006 0.000 2.352 83 K HA 0.395 4.715 4.320 -0.000 0.000 0.240 83 K C -0.557 176.062 176.600 0.032 0.000 1.017 83 K CA -0.981 55.311 56.287 0.008 0.000 0.851 83 K CB 2.098 34.605 32.500 0.011 0.000 1.261 83 K HN 0.532 nan 8.250 nan 0.000 0.451 84 E N 0.169 120.385 120.200 0.026 0.000 2.452 84 E HA -0.028 4.322 4.350 -0.000 0.000 0.261 84 E C 0.437 177.061 176.600 0.040 0.000 0.987 84 E CA 1.097 57.518 56.400 0.034 0.000 0.926 84 E CB 0.123 29.835 29.700 0.020 0.000 0.934 84 E HN 0.770 nan 8.360 nan 0.000 0.452 85 G N 3.847 112.678 108.800 0.051 0.000 2.143 85 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.249 85 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.249 85 G C -0.285 174.652 174.900 0.060 0.000 0.981 85 G CA 0.239 45.369 45.100 0.049 0.000 0.665 85 G HN 0.643 nan 8.290 nan 0.000 0.528 86 D N 0.107 120.557 120.400 0.082 0.000 2.345 86 D HA 0.489 5.129 4.640 -0.000 0.000 0.247 86 D C 0.937 177.300 176.300 0.105 0.000 1.108 86 D CA -0.219 53.841 54.000 0.100 0.000 0.894 86 D CB 0.763 41.645 40.800 0.138 0.000 1.203 86 D HN 0.185 nan 8.370 nan 0.000 0.430 87 I N 1.513 122.130 120.570 0.079 0.000 2.496 87 I HA 0.105 4.275 4.170 -0.000 0.000 0.285 87 I C -0.002 176.126 176.117 0.018 0.000 1.080 87 I CA -0.244 61.082 61.300 0.043 0.000 1.404 87 I CB 0.778 38.794 38.000 0.026 0.000 1.403 87 I HN -0.023 nan 8.210 nan 0.000 0.539 88 V N 6.355 126.238 119.914 -0.052 0.000 2.448 88 V HA 0.489 4.609 4.120 -0.000 0.000 0.295 88 V C -0.052 175.947 176.094 -0.159 0.000 1.025 88 V CA -0.993 61.188 62.300 -0.197 0.000 0.859 88 V CB 1.456 33.083 31.823 -0.327 0.000 0.988 88 V HN 0.594 nan 8.190 nan 0.000 0.431 89 K N 3.507 123.805 120.400 -0.170 0.000 2.270 89 K HA 0.606 4.926 4.320 -0.000 0.000 0.255 89 K C -0.461 176.060 176.600 -0.132 0.000 0.936 89 K CA -0.857 55.358 56.287 -0.118 0.000 0.809 89 K CB 2.361 34.813 32.500 -0.080 0.000 1.131 89 K HN 0.580 nan 8.250 nan 0.000 0.427 90 R N 0.866 121.304 120.500 -0.103 0.000 2.491 90 R HA 0.050 4.390 4.340 -0.000 0.000 0.283 90 R C 0.552 176.808 176.300 -0.074 0.000 1.072 90 R CA 0.168 56.214 56.100 -0.090 0.000 1.048 90 R CB 0.288 30.545 30.300 -0.071 0.000 0.983 90 R HN 0.725 nan 8.270 nan 0.000 0.450 91 T N -1.580 112.930 114.554 -0.073 0.000 3.044 91 T HA 0.183 4.533 4.350 -0.000 0.000 0.260 91 T C 1.227 175.898 174.700 -0.047 0.000 1.019 91 T CA 0.081 62.146 62.100 -0.058 0.000 0.921 91 T CB 0.785 69.615 68.868 -0.062 0.000 1.053 91 T HN 0.831 nan 8.240 nan 0.000 0.533 92 G N 1.738 110.510 108.800 -0.047 0.000 2.176 92 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.252 92 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.252 92 G C 0.290 175.167 174.900 -0.039 0.000 1.024 92 G CA -0.123 44.954 45.100 -0.038 0.000 0.755 92 G HN 1.097 nan 8.290 nan 0.000 0.507 93 A N -0.297 122.493 122.820 -0.050 0.000 2.366 93 A HA 0.744 5.064 4.320 -0.000 0.000 0.249 93 A C 0.463 178.019 177.584 -0.046 0.000 1.084 93 A CA 0.277 52.282 52.037 -0.053 0.000 0.794 93 A CB 0.730 19.686 19.000 -0.073 0.000 1.034 93 A HN 1.506 nan 8.150 nan 0.000 0.491 94 I N 2.110 122.656 120.570 -0.041 0.000 2.571 94 I HA 0.318 4.488 4.170 -0.000 0.000 0.289 94 I C -0.868 175.232 176.117 -0.029 0.000 1.115 94 I CA -0.606 60.675 61.300 -0.032 0.000 1.045 94 I CB 1.851 39.837 38.000 -0.024 0.000 1.238 94 I HN 0.325 nan 8.210 nan 0.000 0.424 95 V N 7.167 127.066 119.914 -0.025 0.000 2.266 95 V HA 0.113 4.233 4.120 -0.000 0.000 0.240 95 V C -0.020 176.069 176.094 -0.008 0.000 1.225 95 V CA -0.060 62.232 62.300 -0.013 0.000 1.237 95 V CB -1.329 30.493 31.823 -0.000 0.000 1.343 95 V HN 0.760 nan 8.190 nan 0.000 0.496 96 D N 3.147 123.543 120.400 -0.007 0.000 2.493 96 D HA 0.728 5.368 4.640 -0.000 0.000 0.239 96 D C -0.395 175.905 176.300 -0.001 0.000 1.049 96 D CA -0.780 53.216 54.000 -0.006 0.000 1.008 96 D CB 2.308 43.101 40.800 -0.012 0.000 1.398 96 D HN 0.286 nan 8.370 nan 0.000 0.513 97 V N -4.630 115.280 119.914 -0.006 0.000 2.962 97 V HA 0.698 4.818 4.120 -0.000 0.000 0.313 97 V C -2.780 173.294 176.094 -0.034 0.000 1.099 97 V CA -2.399 59.896 62.300 -0.008 0.000 0.971 97 V CB 1.637 33.463 31.823 0.005 0.000 1.028 97 V HN 0.547 nan 8.190 nan 0.000 0.430 98 P HA 0.223 nan 4.420 nan 0.000 0.266 98 P C -0.721 176.509 177.300 -0.116 0.000 1.195 98 P CA 0.272 63.330 63.100 -0.071 0.000 0.768 98 P CB 1.110 32.779 31.700 -0.053 0.000 0.838 99 V N 2.418 122.212 119.914 -0.200 0.000 2.808 99 V HA 0.835 4.955 4.120 -0.000 0.000 0.308 99 V C 0.377 176.082 176.094 -0.649 0.000 1.099 99 V CA 0.360 62.445 62.300 -0.357 0.000 0.920 99 V CB 1.889 33.540 31.823 -0.287 0.000 1.014 99 V HN 1.057 nan 8.190 nan 0.000 0.425 100 G N 3.403 111.660 108.800 -0.904 0.000 2.369 100 G HA2 0.061 4.021 3.960 -0.000 0.000 0.295 100 G HA3 0.061 4.021 3.960 -0.000 0.000 0.295 100 G C -0.076 174.580 174.900 -0.407 0.000 1.298 100 G CA -0.101 44.347 45.100 -1.086 0.000 0.940 100 G HN 0.558 nan 8.290 nan 0.000 0.536 101 E N 0.368 120.482 120.200 -0.142 0.000 2.427 101 E HA -0.066 4.284 4.350 -0.000 0.000 0.196 101 E C 1.863 178.520 176.600 0.094 0.000 1.028 101 E CA 1.094 57.580 56.400 0.143 0.000 0.864 101 E CB 0.119 29.951 29.700 0.221 0.000 0.813 101 E HN 0.656 nan 8.360 nan 0.000 0.514 102 E N 1.033 121.236 120.200 0.005 0.000 2.418 102 E HA -0.114 4.236 4.350 -0.000 0.000 0.197 102 E C 1.889 178.498 176.600 0.016 0.000 1.026 102 E CA 0.435 56.841 56.400 0.010 0.000 0.862 102 E CB -0.238 29.449 29.700 -0.020 0.000 0.799 102 E HN 0.330 nan 8.360 nan 0.000 0.518 103 L N 0.642 121.875 121.223 0.017 0.000 2.341 103 L HA 0.083 4.423 4.340 -0.000 0.000 0.214 103 L C 1.221 178.141 176.870 0.083 0.000 1.115 103 L CA 0.090 54.954 54.840 0.039 0.000 0.820 103 L CB -0.203 41.873 42.059 0.028 0.000 0.944 103 L HN 0.010 nan 8.230 nan 0.000 0.452 104 L N 0.323 121.622 121.223 0.127 0.000 2.490 104 L HA 0.123 4.463 4.340 -0.000 0.000 0.274 104 L C 1.435 178.350 176.870 0.076 0.000 1.201 104 L CA 0.705 55.628 54.840 0.138 0.000 0.869 104 L CB 0.024 42.208 42.059 0.209 0.000 1.123 104 L HN 0.341 nan 8.230 nan 0.000 0.484 105 G N 1.610 110.433 108.800 0.037 0.000 2.205 105 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.261 105 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.261 105 G C 0.278 175.182 174.900 0.007 0.000 0.980 105 G CA -0.354 44.748 45.100 0.003 0.000 0.632 105 G HN 0.461 nan 8.290 nan 0.000 0.533 106 R N -0.025 120.489 120.500 0.025 0.000 2.540 106 R HA 0.650 4.990 4.340 -0.000 0.000 0.287 106 R C -0.048 176.269 176.300 0.029 0.000 0.980 106 R CA -0.765 55.349 56.100 0.024 0.000 0.966 106 R CB 1.639 31.955 30.300 0.027 0.000 1.106 106 R HN 0.231 nan 8.270 nan 0.000 0.480 107 V N 3.140 123.069 119.914 0.025 0.000 2.370 107 V HA 0.443 4.563 4.120 -0.000 0.000 0.279 107 V C 0.419 176.534 176.094 0.035 0.000 1.029 107 V CA -0.761 61.560 62.300 0.034 0.000 0.870 107 V CB 1.244 33.084 31.823 0.029 0.000 0.984 107 V HN 0.588 nan 8.190 nan 0.000 0.451 108 V N 1.106 121.046 119.914 0.043 0.000 3.102 108 V HA 0.797 4.917 4.120 -0.000 0.000 0.312 108 V C -0.408 175.713 176.094 0.045 0.000 1.135 108 V CA -0.882 61.442 62.300 0.040 0.000 1.022 108 V CB 2.131 33.976 31.823 0.036 0.000 1.056 108 V HN 0.785 nan 8.190 nan 0.000 0.436 109 D N 2.029 122.456 120.400 0.044 0.000 2.440 109 D HA 0.449 5.089 4.640 -0.000 0.000 0.269 109 D C 1.299 177.629 176.300 0.051 0.000 1.249 109 D CA 0.143 54.172 54.000 0.049 0.000 1.055 109 D CB 1.087 41.918 40.800 0.053 0.000 1.104 109 D HN 0.870 nan 8.370 nan 0.000 0.561 110 A N -0.726 122.128 122.820 0.056 0.000 2.024 110 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 110 A C 2.174 179.799 177.584 0.069 0.000 1.164 110 A CA 1.138 53.209 52.037 0.057 0.000 0.643 110 A CB -0.735 18.298 19.000 0.055 0.000 0.806 110 A HN 0.526 nan 8.150 nan 0.000 0.451 111 L N -1.937 119.333 121.223 0.079 0.000 2.728 111 L HA 0.320 4.660 4.340 -0.000 0.000 0.238 111 L C 1.445 178.344 176.870 0.047 0.000 1.143 111 L CA 0.432 55.318 54.840 0.077 0.000 0.937 111 L CB 0.223 42.344 42.059 0.103 0.000 1.225 111 L HN 0.521 nan 8.230 nan 0.000 0.507 112 G N -0.110 108.715 108.800 0.041 0.000 2.157 112 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.239 112 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.239 112 G C 0.040 174.954 174.900 0.022 0.000 0.982 112 G CA -0.418 44.697 45.100 0.025 0.000 0.650 112 G HN 0.355 nan 8.290 nan 0.000 0.527 113 N N 1.126 119.845 118.700 0.031 0.000 2.520 113 N HA 0.491 5.231 4.740 -0.000 0.000 0.273 113 N C 0.691 176.217 175.510 0.027 0.000 1.155 113 N CA 0.641 53.708 53.050 0.028 0.000 0.967 113 N CB 1.289 39.798 38.487 0.036 0.000 1.092 113 N HN 0.709 nan 8.380 nan 0.000 0.457 114 A N 2.113 124.945 122.820 0.021 0.000 2.520 114 A HA 0.196 4.516 4.320 -0.000 0.000 0.245 114 A C 1.251 178.849 177.584 0.023 0.000 1.072 114 A CA -0.025 52.024 52.037 0.020 0.000 0.761 114 A CB -0.483 18.526 19.000 0.015 0.000 1.004 114 A HN 0.821 nan 8.150 nan 0.000 0.499 115 I N -1.021 119.563 120.570 0.024 0.000 4.225 115 I HA 0.248 4.418 4.170 -0.000 0.000 0.327 115 I C 0.398 176.527 176.117 0.019 0.000 1.422 115 I CA 0.038 61.352 61.300 0.024 0.000 1.150 115 I CB 0.579 38.597 38.000 0.029 0.000 1.192 115 I HN 0.443 nan 8.210 nan 0.000 0.440 116 D N 1.378 121.787 120.400 0.016 0.000 2.350 116 D HA 0.142 4.782 4.640 -0.000 0.000 0.213 116 D C 1.660 177.965 176.300 0.008 0.000 1.031 116 D CA 0.631 54.637 54.000 0.011 0.000 0.861 116 D CB -0.042 40.763 40.800 0.008 0.000 0.926 116 D HN 0.418 nan 8.370 nan 0.000 0.520 117 G N 0.855 109.661 108.800 0.010 0.000 2.198 117 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.257 117 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.257 117 G C 0.488 175.392 174.900 0.006 0.000 1.042 117 G CA 0.327 45.432 45.100 0.008 0.000 0.791 117 G HN 0.455 nan 8.290 nan 0.000 0.502 118 K N 0.100 120.504 120.400 0.007 0.000 2.576 118 K HA 0.486 4.806 4.320 -0.000 0.000 0.209 118 K C 1.340 177.944 176.600 0.006 0.000 1.049 118 K CA 0.257 56.547 56.287 0.006 0.000 1.140 118 K CB 0.505 33.008 32.500 0.005 0.000 0.871 118 K HN 1.465 nan 8.250 nan 0.000 0.479 119 G N 2.746 111.550 108.800 0.007 0.000 2.728 119 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.294 119 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.294 119 G C -2.725 172.179 174.900 0.006 0.000 1.342 119 G CA -1.179 43.925 45.100 0.006 0.000 0.866 119 G HN 0.090 nan 8.290 nan 0.000 0.534 120 P HA 0.446 nan 4.420 nan 0.000 0.272 120 P C 0.390 177.691 177.300 0.001 0.000 1.223 120 P CA -0.409 62.693 63.100 0.003 0.000 0.784 120 P CB 0.485 32.186 31.700 0.001 0.000 0.923 121 I N 1.421 121.990 120.570 -0.001 0.000 2.648 121 I HA 0.023 4.193 4.170 -0.000 0.000 0.284 121 I C 1.829 177.938 176.117 -0.012 0.000 1.153 121 I CA 0.391 61.687 61.300 -0.007 0.000 1.426 121 I CB -0.120 37.872 38.000 -0.013 0.000 1.381 121 I HN 0.547 nan 8.210 nan 0.000 0.571 122 G N 4.064 112.856 108.800 -0.013 0.000 3.332 122 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.242 122 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.242 122 G C 0.732 175.614 174.900 -0.030 0.000 1.276 122 G CA -0.138 44.953 45.100 -0.015 0.000 0.988 122 G HN 0.619 nan 8.290 nan 0.000 0.517 123 S N -0.286 115.388 115.700 -0.044 0.000 2.546 123 S HA 0.115 4.585 4.470 -0.000 0.000 0.290 123 S C 1.307 175.871 174.600 -0.061 0.000 1.290 123 S CA 0.181 58.338 58.200 -0.073 0.000 1.069 123 S CB 0.649 63.801 63.200 -0.080 0.000 0.846 123 S HN 0.464 nan 8.310 nan 0.000 0.495 124 K N 2.349 122.705 120.400 -0.073 0.000 2.380 124 K HA 0.335 4.655 4.320 -0.000 0.000 0.198 124 K C 0.088 176.659 176.600 -0.049 0.000 1.070 124 K CA 0.107 56.366 56.287 -0.047 0.000 1.040 124 K CB 0.868 33.351 32.500 -0.028 0.000 0.903 124 K HN 0.611 nan 8.250 nan 0.000 0.549 125 A N 1.390 124.158 122.820 -0.086 0.000 2.435 125 A HA 0.691 5.011 4.320 -0.000 0.000 0.304 125 A C -1.010 176.516 177.584 -0.095 0.000 1.064 125 A CA -0.757 51.237 52.037 -0.072 0.000 0.727 125 A CB 1.338 20.308 19.000 -0.049 0.000 1.284 125 A HN 0.066 nan 8.150 nan 0.000 0.415 126 R N 0.017 120.484 120.500 -0.055 0.000 2.854 126 R HA 0.791 5.131 4.340 -0.000 0.000 0.271 126 R C -0.666 175.617 176.300 -0.029 0.000 0.994 126 R CA -0.837 55.233 56.100 -0.051 0.000 0.945 126 R CB 2.570 32.849 30.300 -0.036 0.000 1.194 126 R HN 0.769 nan 8.270 nan 0.000 0.476 127 R N 0.952 121.437 120.500 -0.026 0.000 2.584 127 R HA 0.307 4.647 4.340 -0.000 0.000 0.276 127 R C -0.908 175.390 176.300 -0.004 0.000 1.046 127 R CA -0.769 55.327 56.100 -0.007 0.000 0.906 127 R CB 1.670 31.972 30.300 0.003 0.000 1.215 127 R HN 0.549 nan 8.270 nan 0.000 0.449 128 R N 1.628 122.127 120.500 -0.002 0.000 2.698 128 R HA -0.017 4.323 4.340 -0.000 0.000 0.266 128 R C 1.463 177.763 176.300 -0.001 0.000 1.026 128 R CA 0.341 56.438 56.100 -0.006 0.000 1.102 128 R CB 0.652 30.946 30.300 -0.011 0.000 0.978 128 R HN 0.571 nan 8.270 nan 0.000 0.436 129 V N 0.385 120.294 119.914 -0.008 0.000 2.649 129 V HA 0.124 4.244 4.120 -0.000 0.000 0.248 129 V C 0.900 176.973 176.094 -0.035 0.000 1.054 129 V CA 1.329 63.631 62.300 0.005 0.000 1.073 129 V CB -0.127 31.701 31.823 0.009 0.000 0.699 129 V HN 0.719 nan 8.190 nan 0.000 0.463 130 G N 1.378 110.122 108.800 -0.093 0.000 2.504 130 G HA2 0.658 4.618 3.960 -0.000 0.000 0.326 130 G HA3 0.658 4.618 3.960 -0.000 0.000 0.326 130 G C -1.024 173.834 174.900 -0.071 0.000 1.073 130 G CA -0.386 44.626 45.100 -0.148 0.000 1.030 130 G HN 0.361 nan 8.290 nan 0.000 0.448 131 L N 1.420 122.618 121.223 -0.041 0.000 2.409 131 L HA 0.465 4.805 4.340 -0.000 0.000 0.262 131 L C 0.238 177.107 176.870 -0.002 0.000 0.992 131 L CA -1.140 53.693 54.840 -0.012 0.000 0.817 131 L CB 2.765 44.828 42.059 0.007 0.000 1.350 131 L HN 0.287 nan 8.230 nan 0.000 0.411 132 K N 1.356 121.760 120.400 0.007 0.000 2.485 132 K HA 0.321 4.641 4.320 -0.000 0.000 0.277 132 K C 0.018 176.627 176.600 0.016 0.000 0.990 132 K CA -0.162 56.136 56.287 0.017 0.000 0.994 132 K CB 1.055 33.568 32.500 0.022 0.000 0.906 132 K HN 0.686 nan 8.250 nan 0.000 0.488 133 A N 4.901 127.731 122.820 0.017 0.000 2.425 133 A HA 0.237 4.557 4.320 -0.000 0.000 0.242 133 A C -2.081 175.496 177.584 -0.012 0.000 1.077 133 A CA -1.117 50.925 52.037 0.008 0.000 0.781 133 A CB -0.426 18.581 19.000 0.012 0.000 1.020 133 A HN 0.451 nan 8.150 nan 0.000 0.494 134 P HA 0.174 nan 4.420 nan 0.000 0.265 134 P C 0.765 178.018 177.300 -0.078 0.000 1.187 134 P CA 0.704 63.751 63.100 -0.089 0.000 0.766 134 P CB 0.404 32.021 31.700 -0.139 0.000 0.820 135 G N 1.530 110.277 108.800 -0.088 0.000 2.479 135 G HA2 0.045 4.005 3.960 -0.000 0.000 0.275 135 G HA3 0.045 4.005 3.960 -0.000 0.000 0.275 135 G C 1.023 175.879 174.900 -0.073 0.000 1.421 135 G CA -0.494 44.571 45.100 -0.060 0.000 1.059 135 G HN 0.454 nan 8.290 nan 0.000 0.535 136 I N -0.148 120.394 120.570 -0.048 0.000 2.500 136 I HA -0.051 4.119 4.170 -0.000 0.000 0.252 136 I C 2.229 178.312 176.117 -0.056 0.000 1.142 136 I CA 0.297 61.573 61.300 -0.041 0.000 1.451 136 I CB 0.034 38.024 38.000 -0.017 0.000 1.093 136 I HN 0.240 nan 8.210 nan 0.000 0.430 137 I N 0.941 121.472 120.570 -0.064 0.000 2.406 137 I HA -0.060 4.110 4.170 -0.000 0.000 0.249 137 I C -0.412 175.637 176.117 -0.113 0.000 1.122 137 I CA 1.048 62.316 61.300 -0.052 0.000 1.431 137 I CB -2.659 35.337 38.000 -0.006 0.000 1.087 137 I HN 0.130 nan 8.210 nan 0.000 0.424 138 P HA -0.046 nan 4.420 nan 0.000 0.236 138 P C 0.142 177.230 177.300 -0.353 0.000 1.172 138 P CA 0.869 63.578 63.100 -0.651 0.000 0.759 138 P CB -0.010 31.016 31.700 -1.124 0.000 0.843 139 R N -0.586 119.812 120.500 -0.169 0.000 2.787 139 R HA 0.704 5.044 4.340 -0.000 0.000 0.271 139 R C -0.562 175.719 176.300 -0.032 0.000 0.993 139 R CA -1.005 55.040 56.100 -0.090 0.000 0.993 139 R CB 1.578 31.833 30.300 -0.075 0.000 1.155 139 R HN -0.077 nan 8.270 nan 0.000 0.486 140 I N -0.637 119.926 120.570 -0.011 0.000 2.934 140 I HA 0.260 4.430 4.170 -0.000 0.000 0.306 140 I C -0.304 175.814 176.117 0.002 0.000 1.110 140 I CA -0.284 61.018 61.300 0.004 0.000 1.019 140 I CB 2.438 40.450 38.000 0.018 0.000 1.227 140 I HN 0.514 nan 8.210 nan 0.000 0.434 141 S N 2.586 118.287 115.700 0.003 0.000 2.554 141 S HA 0.109 4.579 4.470 -0.000 0.000 0.290 141 S C -0.388 174.212 174.600 0.000 0.000 1.309 141 S CA -0.415 57.785 58.200 0.001 0.000 1.047 141 S CB 0.207 63.408 63.200 0.001 0.000 0.828 141 S HN 0.394 nan 8.310 nan 0.000 0.509 142 V N 5.820 125.732 119.914 -0.003 0.000 2.446 142 V HA 0.142 4.262 4.120 -0.000 0.000 0.276 142 V C 1.227 177.312 176.094 -0.015 0.000 1.030 142 V CA 0.484 62.779 62.300 -0.009 0.000 1.033 142 V CB 0.258 32.074 31.823 -0.011 0.000 0.993 142 V HN 0.813 nan 8.190 nan 0.000 0.477 143 R N 2.399 122.886 120.500 -0.023 0.000 2.551 143 R HA 0.204 4.544 4.340 -0.000 0.000 0.202 143 R C 0.228 176.496 176.300 -0.054 0.000 0.861 143 R CA -0.115 55.967 56.100 -0.030 0.000 1.018 143 R CB 0.524 30.812 30.300 -0.020 0.000 1.435 143 R HN 0.658 nan 8.270 nan 0.000 0.659 144 E N 3.817 123.972 120.200 -0.076 0.000 2.290 144 E HA 0.166 4.516 4.350 -0.000 0.000 0.277 144 E C -2.427 174.085 176.600 -0.146 0.000 1.035 144 E CA -1.929 54.392 56.400 -0.132 0.000 0.873 144 E CB 0.614 30.193 29.700 -0.203 0.000 1.029 144 E HN -0.075 nan 8.360 nan 0.000 0.419 145 P HA -0.074 nan 4.420 nan 0.000 0.264 145 P C -0.639 176.545 177.300 -0.193 0.000 1.193 145 P CA 0.283 63.299 63.100 -0.141 0.000 0.763 145 P CB 0.423 32.044 31.700 -0.132 0.000 0.810 146 M N 4.110 123.627 119.600 -0.138 0.000 2.055 146 M HA 0.145 4.625 4.480 -0.000 0.000 0.347 146 M C -0.649 175.605 176.300 -0.077 0.000 1.123 146 M CA -0.329 54.893 55.300 -0.131 0.000 1.035 146 M CB 0.507 33.055 32.600 -0.087 0.000 1.484 146 M HN 0.305 nan 8.290 nan 0.000 0.428 147 Q N 3.225 122.985 119.800 -0.068 0.000 2.322 147 Q HA 0.226 4.565 4.340 -0.000 0.000 0.256 147 Q C 1.179 177.227 176.000 0.079 0.000 0.960 147 Q CA 0.011 55.834 55.803 0.034 0.000 0.934 147 Q CB 1.051 29.870 28.738 0.136 0.000 1.200 147 Q HN 0.792 nan 8.270 nan 0.000 0.435 148 T N -1.534 113.050 114.554 0.050 0.000 3.014 148 T HA 0.066 4.416 4.350 -0.000 0.000 0.263 148 T C 1.314 176.043 174.700 0.049 0.000 1.078 148 T CA 0.720 62.846 62.100 0.044 0.000 1.135 148 T CB 0.064 68.945 68.868 0.022 0.000 0.895 148 T HN 0.823 nan 8.240 nan 0.000 0.480 149 G N 1.456 110.287 108.800 0.052 0.000 2.184 149 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.264 149 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.264 149 G C 0.038 174.948 174.900 0.017 0.000 0.975 149 G CA 0.207 45.327 45.100 0.032 0.000 0.642 149 G HN 0.668 nan 8.290 nan 0.000 0.536 150 I N 0.928 121.508 120.570 0.017 0.000 2.315 150 I HA 0.287 4.457 4.170 -0.000 0.000 0.291 150 I C 1.545 177.670 176.117 0.014 0.000 1.006 150 I CA -0.707 60.598 61.300 0.009 0.000 1.265 150 I CB 1.361 39.364 38.000 0.004 0.000 1.387 150 I HN -0.003 nan 8.210 nan 0.000 0.475 151 K N 4.490 124.898 120.400 0.014 0.000 2.001 151 K HA -0.224 4.096 4.320 -0.000 0.000 0.214 151 K C 2.135 178.746 176.600 0.019 0.000 1.050 151 K CA 1.852 58.150 56.287 0.019 0.000 0.934 151 K CB -0.267 32.245 32.500 0.020 0.000 0.718 151 K HN 0.801 nan 8.250 nan 0.000 0.443 152 A N 1.030 123.860 122.820 0.018 0.000 1.927 152 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 152 A C 2.402 179.999 177.584 0.023 0.000 1.185 152 A CA 2.006 54.056 52.037 0.022 0.000 0.639 152 A CB -0.812 18.203 19.000 0.025 0.000 0.820 152 A HN 0.114 nan 8.150 nan 0.000 0.451 153 V N 0.116 120.041 119.914 0.018 0.000 2.273 153 V HA -0.165 3.955 4.120 -0.000 0.000 0.242 153 V C 2.146 178.249 176.094 0.014 0.000 1.035 153 V CA 2.025 64.334 62.300 0.015 0.000 1.013 153 V CB -0.881 30.948 31.823 0.009 0.000 0.652 153 V HN 0.460 nan 8.190 nan 0.000 0.452 154 D N 0.627 121.036 120.400 0.015 0.000 2.182 154 D HA -0.132 4.508 4.640 -0.000 0.000 0.201 154 D C 2.396 178.705 176.300 0.016 0.000 0.986 154 D CA 1.819 55.828 54.000 0.015 0.000 0.847 154 D CB -0.153 40.660 40.800 0.023 0.000 0.942 154 D HN 0.607 nan 8.370 nan 0.000 0.467 155 S N -0.607 115.104 115.700 0.019 0.000 2.387 155 S HA 0.043 4.513 4.470 -0.000 0.000 0.221 155 S C 1.988 176.600 174.600 0.019 0.000 1.041 155 S CA 0.279 58.491 58.200 0.020 0.000 0.959 155 S CB -0.261 62.953 63.200 0.022 0.000 0.843 155 S HN 0.206 nan 8.310 nan 0.000 0.488 156 L N 0.868 122.104 121.223 0.022 0.000 2.575 156 L HA 0.389 4.729 4.340 -0.000 0.000 0.228 156 L C -0.138 176.748 176.870 0.027 0.000 1.075 156 L CA 0.028 54.883 54.840 0.025 0.000 0.867 156 L CB 0.794 42.872 42.059 0.031 0.000 1.097 156 L HN 0.179 nan 8.230 nan 0.000 0.485 157 V N 0.580 120.508 119.914 0.024 0.000 2.454 157 V HA 0.268 4.388 4.120 -0.000 0.000 0.255 157 V C -2.458 173.641 176.094 0.008 0.000 1.009 157 V CA -1.288 61.024 62.300 0.020 0.000 1.149 157 V CB -0.022 31.815 31.823 0.023 0.000 1.418 157 V HN -0.008 nan 8.190 nan 0.000 0.567 158 P HA 0.396 nan 4.420 nan 0.000 0.275 158 P C -0.453 176.841 177.300 -0.011 0.000 1.227 158 P CA 0.153 63.251 63.100 -0.003 0.000 0.781 158 P CB 1.688 33.386 31.700 -0.003 0.000 0.906 159 I N 1.470 122.029 120.570 -0.019 0.000 2.530 159 I HA 0.576 4.746 4.170 -0.000 0.000 0.297 159 I C 0.918 177.011 176.117 -0.040 0.000 1.011 159 I CA -0.607 60.677 61.300 -0.027 0.000 1.107 159 I CB 2.221 40.205 38.000 -0.027 0.000 1.285 159 I HN 0.344 nan 8.210 nan 0.000 0.436 160 G N 3.690 112.466 108.800 -0.040 0.000 2.511 160 G HA2 0.579 4.539 3.960 -0.000 0.000 0.318 160 G HA3 0.579 4.539 3.960 -0.000 0.000 0.318 160 G C -0.778 174.091 174.900 -0.052 0.000 1.210 160 G CA -0.883 44.185 45.100 -0.053 0.000 0.969 160 G HN 0.510 nan 8.290 nan 0.000 0.484 161 R N -0.158 120.299 120.500 -0.072 0.000 2.404 161 R HA 0.409 4.749 4.340 -0.000 0.000 0.315 161 R C 1.247 177.547 176.300 0.001 0.000 1.032 161 R CA 1.471 57.541 56.100 -0.049 0.000 0.992 161 R CB 0.626 30.857 30.300 -0.115 0.000 0.959 161 R HN 1.117 nan 8.270 nan 0.000 0.428 162 G N 1.865 110.674 108.800 0.016 0.000 2.213 162 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.226 162 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.226 162 G C 0.188 175.090 174.900 0.004 0.000 0.992 162 G CA -0.114 44.997 45.100 0.019 0.000 0.632 162 G HN 0.578 nan 8.290 nan 0.000 0.511 163 Q N 0.335 120.131 119.800 -0.006 0.000 2.394 163 Q HA 0.575 4.915 4.340 -0.000 0.000 0.248 163 Q C -0.104 175.888 176.000 -0.013 0.000 0.992 163 Q CA -0.167 55.629 55.803 -0.011 0.000 0.888 163 Q CB 0.326 29.053 28.738 -0.018 0.000 1.257 163 Q HN 0.328 nan 8.270 nan 0.000 0.462 164 R N 2.386 122.877 120.500 -0.015 0.000 2.288 164 R HA 0.295 4.635 4.340 -0.000 0.000 0.326 164 R C -1.360 174.919 176.300 -0.034 0.000 0.959 164 R CA -0.521 55.566 56.100 -0.021 0.000 0.834 164 R CB 1.436 31.726 30.300 -0.016 0.000 1.157 164 R HN 0.453 nan 8.270 nan 0.000 0.470 165 E N 2.601 122.774 120.200 -0.044 0.000 2.165 165 E HA 0.296 4.646 4.350 -0.000 0.000 0.266 165 E C -1.332 175.219 176.600 -0.082 0.000 0.889 165 E CA -0.943 55.421 56.400 -0.059 0.000 0.756 165 E CB 0.937 30.607 29.700 -0.050 0.000 1.131 165 E HN 0.351 nan 8.360 nan 0.000 0.411 166 L N 5.783 126.938 121.223 -0.114 0.000 2.331 166 L HA 0.446 4.786 4.340 -0.000 0.000 0.278 166 L C -0.913 175.852 176.870 -0.174 0.000 1.106 166 L CA 0.091 54.844 54.840 -0.144 0.000 0.824 166 L CB 0.512 42.465 42.059 -0.176 0.000 1.142 166 L HN 0.647 nan 8.230 nan 0.000 0.443 167 I N 7.102 127.592 120.570 -0.134 0.000 2.304 167 I HA 0.401 4.571 4.170 -0.000 0.000 0.291 167 I C -0.247 175.792 176.117 -0.130 0.000 1.018 167 I CA -0.133 61.093 61.300 -0.123 0.000 1.260 167 I CB 1.048 39.008 38.000 -0.067 0.000 1.390 167 I HN 0.589 nan 8.210 nan 0.000 0.475 168 I N 5.416 125.889 120.570 -0.162 0.000 2.656 168 I HA 0.865 5.034 4.170 -0.000 0.000 0.292 168 I C -0.601 175.500 176.117 -0.027 0.000 1.144 168 I CA -0.010 61.218 61.300 -0.120 0.000 1.038 168 I CB 2.098 39.982 38.000 -0.194 0.000 1.244 168 I HN 0.683 nan 8.210 nan 0.000 0.420 169 G N 4.788 113.601 108.800 0.022 0.000 2.338 169 G HA2 0.203 4.163 3.960 -0.000 0.000 0.295 169 G HA3 0.203 4.163 3.960 -0.000 0.000 0.295 169 G C -1.816 173.108 174.900 0.039 0.000 1.461 169 G CA -0.791 44.345 45.100 0.061 0.000 0.817 169 G HN 0.543 nan 8.290 nan 0.000 0.556 170 D N 0.165 120.592 120.400 0.044 0.000 2.325 170 D HA 0.229 4.869 4.640 -0.000 0.000 0.237 170 D C 1.379 177.681 176.300 0.003 0.000 1.328 170 D CA 0.154 54.172 54.000 0.030 0.000 0.918 170 D CB 0.332 41.154 40.800 0.035 0.000 1.156 170 D HN 0.694 nan 8.370 nan 0.000 0.485 171 R N -0.131 120.371 120.500 0.003 0.000 2.698 171 R HA 0.033 4.373 4.340 -0.000 0.000 0.266 171 R C -0.114 176.152 176.300 -0.055 0.000 1.026 171 R CA -0.117 55.975 56.100 -0.013 0.000 1.102 171 R CB -0.150 30.152 30.300 0.003 0.000 0.978 171 R HN 0.355 nan 8.270 nan 0.000 0.436 172 Q N -0.791 118.961 119.800 -0.080 0.000 2.481 172 Q HA -0.195 4.145 4.340 -0.000 0.000 0.272 172 Q C 0.256 176.059 176.000 -0.329 0.000 1.157 172 Q CA 1.357 57.065 55.803 -0.158 0.000 0.935 172 Q CB -1.635 27.034 28.738 -0.114 0.000 1.338 172 Q HN 0.993 nan 8.270 nan 0.000 0.494 173 T N -5.266 109.136 114.554 -0.252 0.000 3.040 173 T HA 0.440 4.790 4.350 -0.000 0.000 0.250 173 T C 1.215 175.778 174.700 -0.229 0.000 1.058 173 T CA 0.589 62.507 62.100 -0.304 0.000 0.988 173 T CB 1.083 69.885 68.868 -0.110 0.000 0.993 173 T HN 0.935 nan 8.240 nan 0.000 0.519 174 G N 1.454 110.159 108.800 -0.157 0.000 2.145 174 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.145 174 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.145 174 G C 0.637 175.526 174.900 -0.018 0.000 1.017 174 G CA 0.116 45.187 45.100 -0.048 0.000 0.682 174 G HN 0.479 nan 8.290 nan 0.000 0.504 175 K N -0.296 120.091 120.400 -0.022 0.000 2.001 175 K HA -0.012 4.308 4.320 -0.000 0.000 0.208 175 K C 2.519 179.130 176.600 0.018 0.000 1.048 175 K CA 1.733 58.017 56.287 -0.005 0.000 0.932 175 K CB -0.282 32.212 32.500 -0.008 0.000 0.715 175 K HN 0.247 nan 8.250 nan 0.000 0.437 176 T N 1.158 115.734 114.554 0.036 0.000 2.788 176 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 176 T C 2.074 176.801 174.700 0.046 0.000 1.044 176 T CA 1.475 63.623 62.100 0.079 0.000 1.139 176 T CB -0.174 68.751 68.868 0.095 0.000 0.867 176 T HN 0.149 nan 8.240 nan 0.000 0.454 177 S N 1.288 116.992 115.700 0.007 0.000 2.359 177 S HA -0.066 4.404 4.470 -0.000 0.000 0.224 177 S C 2.044 176.628 174.600 -0.028 0.000 1.035 177 S CA 0.796 58.974 58.200 -0.036 0.000 1.018 177 S CB -0.381 62.767 63.200 -0.087 0.000 0.876 177 S HN 0.345 nan 8.310 nan 0.000 0.448 178 I N 2.037 122.601 120.570 -0.010 0.000 2.194 178 I HA -0.240 3.930 4.170 -0.000 0.000 0.246 178 I C 2.657 178.781 176.117 0.013 0.000 1.093 178 I CA 1.574 62.873 61.300 -0.003 0.000 1.355 178 I CB -1.701 36.298 38.000 -0.002 0.000 1.046 178 I HN 0.266 nan 8.210 nan 0.000 0.413 179 A N 0.788 123.629 122.820 0.035 0.000 1.897 179 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 179 A C 2.214 179.834 177.584 0.059 0.000 1.181 179 A CA 0.959 53.035 52.037 0.065 0.000 0.620 179 A CB -0.419 18.658 19.000 0.129 0.000 0.821 179 A HN 0.246 nan 8.150 nan 0.000 0.443 180 I N 0.837 121.427 120.570 0.033 0.000 2.142 180 I HA -0.190 3.979 4.170 -0.000 0.000 0.240 180 I C 1.759 177.904 176.117 0.046 0.000 1.078 180 I CA 1.567 62.876 61.300 0.016 0.000 1.343 180 I CB -1.631 36.391 38.000 0.036 0.000 1.046 180 I HN 0.254 nan 8.210 nan 0.000 0.405 181 D N 0.510 120.928 120.400 0.031 0.000 2.149 181 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 181 D C 2.193 178.520 176.300 0.045 0.000 0.990 181 D CA 1.424 55.443 54.000 0.032 0.000 0.839 181 D CB -0.263 40.528 40.800 -0.014 0.000 0.948 181 D HN 0.274 nan 8.370 nan 0.000 0.460 182 T N 0.622 115.202 114.554 0.045 0.000 2.746 182 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 182 T C 2.192 176.945 174.700 0.088 0.000 1.039 182 T CA 0.586 62.721 62.100 0.058 0.000 1.142 182 T CB -0.138 68.756 68.868 0.043 0.000 0.866 182 T HN 0.166 nan 8.240 nan 0.000 0.444 183 I N 0.503 121.132 120.570 0.098 0.000 2.202 183 I HA -0.095 4.075 4.170 -0.000 0.000 0.242 183 I C 2.217 178.463 176.117 0.215 0.000 1.091 183 I CA 1.210 62.604 61.300 0.157 0.000 1.368 183 I CB -0.364 37.696 38.000 0.100 0.000 1.058 183 I HN 0.194 nan 8.210 nan 0.000 0.410 184 I N 0.847 121.495 120.570 0.130 0.000 2.264 184 I HA -0.324 3.846 4.170 -0.000 0.000 0.248 184 I C 2.267 178.448 176.117 0.106 0.000 1.111 184 I CA 1.552 62.926 61.300 0.124 0.000 1.382 184 I CB -0.570 37.481 38.000 0.085 0.000 1.060 184 I HN 0.323 nan 8.210 nan 0.000 0.418 185 N N 0.647 119.390 118.700 0.071 0.000 2.205 185 N HA -0.231 4.509 4.740 -0.000 0.000 0.186 185 N C 1.818 177.303 175.510 -0.043 0.000 1.015 185 N CA 1.248 54.306 53.050 0.012 0.000 0.862 185 N CB 0.058 38.575 38.487 0.051 0.000 0.986 185 N HN 0.236 nan 8.380 nan 0.000 0.429 186 Q N 0.407 120.228 119.800 0.035 0.000 2.364 186 Q HA -0.092 4.248 4.340 -0.000 0.000 0.207 186 Q C 1.673 177.501 176.000 -0.285 0.000 0.970 186 Q CA 0.602 56.388 55.803 -0.028 0.000 0.888 186 Q CB -0.246 28.406 28.738 -0.143 0.000 0.951 186 Q HN 0.528 nan 8.270 nan 0.000 0.469 187 K N 1.596 121.882 120.400 -0.190 0.000 2.074 187 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 187 K C 1.992 178.455 176.600 -0.228 0.000 1.048 187 K CA 1.489 57.698 56.287 -0.130 0.000 0.926 187 K CB -0.022 32.520 32.500 0.069 0.000 0.713 187 K HN 0.204 nan 8.250 nan 0.000 0.444 188 R N -0.251 120.025 120.500 -0.374 0.000 2.193 188 R HA -0.139 4.201 4.340 -0.000 0.000 0.229 188 R C 1.581 177.576 176.300 -0.508 0.000 1.110 188 R CA 1.521 57.330 56.100 -0.485 0.000 0.988 188 R CB -0.409 29.509 30.300 -0.636 0.000 0.871 188 R HN 0.234 nan 8.270 nan 0.000 0.458 189 F N 0.863 120.721 119.950 -0.152 0.000 2.383 189 F HA 0.207 4.734 4.527 -0.000 0.000 0.287 189 F C 1.863 177.547 175.800 -0.193 0.000 1.069 189 F CA -0.120 57.784 58.000 -0.161 0.000 1.402 189 F CB -0.217 38.676 39.000 -0.177 0.000 1.116 189 F HN -0.050 nan 8.300 nan 0.000 0.549 190 N N 0.349 118.977 118.700 -0.120 0.000 2.331 190 N HA -0.123 4.617 4.740 -0.000 0.000 0.180 190 N C 0.993 176.433 175.510 -0.117 0.000 1.019 190 N CA 1.112 54.033 53.050 -0.214 0.000 0.881 190 N CB -0.426 37.775 38.487 -0.476 0.000 0.972 190 N HN 0.198 nan 8.380 nan 0.000 0.435 191 D N -0.019 120.325 120.400 -0.093 0.000 2.277 191 D HA 0.044 4.684 4.640 -0.000 0.000 0.208 191 D C 1.317 177.593 176.300 -0.040 0.000 0.962 191 D CA 0.349 54.318 54.000 -0.053 0.000 0.865 191 D CB -0.270 40.498 40.800 -0.054 0.000 0.939 191 D HN 0.160 nan 8.370 nan 0.000 0.510 192 G N -0.286 108.491 108.800 -0.038 0.000 2.525 192 G HA2 0.233 4.193 3.960 -0.000 0.000 0.276 192 G HA3 0.233 4.193 3.960 -0.000 0.000 0.276 192 G C 0.965 175.862 174.900 -0.006 0.000 1.388 192 G CA 0.705 45.797 45.100 -0.014 0.000 1.050 192 G HN 0.218 nan 8.290 nan 0.000 0.520 193 T N -3.385 111.171 114.554 0.004 0.000 2.975 193 T HA 0.139 4.489 4.350 -0.000 0.000 0.261 193 T C 0.296 175.002 174.700 0.010 0.000 0.984 193 T CA 0.130 62.234 62.100 0.005 0.000 0.911 193 T CB 0.391 69.262 68.868 0.004 0.000 1.127 193 T HN 0.343 nan 8.240 nan 0.000 0.514 194 D N 2.219 122.627 120.400 0.014 0.000 2.339 194 D HA 0.141 4.781 4.640 -0.000 0.000 0.256 194 D C 0.945 177.251 176.300 0.009 0.000 1.214 194 D CA -0.036 53.971 54.000 0.012 0.000 0.877 194 D CB 1.069 41.876 40.800 0.012 0.000 1.111 194 D HN 0.059 nan 8.370 nan 0.000 0.478 195 E N 3.393 123.603 120.200 0.017 0.000 2.112 195 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 195 E C 1.609 178.239 176.600 0.049 0.000 0.979 195 E CA 0.519 56.937 56.400 0.030 0.000 0.814 195 E CB 0.121 29.846 29.700 0.043 0.000 0.762 195 E HN 0.519 nan 8.360 nan 0.000 0.460 196 K N 0.985 121.413 120.400 0.045 0.000 2.089 196 K HA -0.154 4.166 4.320 -0.000 0.000 0.210 196 K C 1.896 178.481 176.600 -0.026 0.000 1.048 196 K CA 1.082 57.410 56.287 0.067 0.000 0.926 196 K CB -0.133 32.377 32.500 0.018 0.000 0.714 196 K HN 0.060 nan 8.250 nan 0.000 0.448 197 K N 1.056 121.392 120.400 -0.106 0.000 2.459 197 K HA 0.012 4.332 4.320 -0.000 0.000 0.193 197 K C 0.293 176.735 176.600 -0.264 0.000 1.030 197 K CA 0.238 56.359 56.287 -0.277 0.000 1.026 197 K CB 0.237 32.566 32.500 -0.286 0.000 0.809 197 K HN 0.131 nan 8.250 nan 0.000 0.504 198 K N 1.212 121.543 120.400 -0.114 0.000 2.295 198 K HA 0.140 4.460 4.320 -0.000 0.000 0.270 198 K C -0.528 175.963 176.600 -0.182 0.000 1.011 198 K CA -0.175 56.017 56.287 -0.159 0.000 0.953 198 K CB 0.731 33.123 32.500 -0.181 0.000 0.956 198 K HN -0.135 nan 8.250 nan 0.000 0.477 199 L N 3.261 124.299 121.223 -0.308 0.000 2.482 199 L HA 0.280 4.620 4.340 -0.000 0.000 0.269 199 L C -1.565 175.101 176.870 -0.339 0.000 0.967 199 L CA -0.452 54.255 54.840 -0.222 0.000 0.851 199 L CB 0.956 42.932 42.059 -0.138 0.000 1.242 199 L HN 0.440 nan 8.230 nan 0.000 0.404 200 Y N 3.047 123.229 120.300 -0.197 0.000 2.309 200 Y HA 0.459 5.009 4.550 -0.000 0.000 0.327 200 Y C 0.394 176.240 175.900 -0.091 0.000 1.172 200 Y CA -0.005 57.948 58.100 -0.246 0.000 1.280 200 Y CB 1.006 38.976 38.460 -0.817 0.000 1.234 200 Y HN 0.495 nan 8.280 nan 0.000 0.512 201 C N 4.451 123.867 119.300 0.194 0.000 2.417 201 C HA 0.685 5.145 4.460 -0.000 0.000 0.324 201 C C -0.218 174.859 174.990 0.144 0.000 1.240 201 C CA -1.116 58.002 59.018 0.167 0.000 1.632 201 C CB 0.097 27.972 27.740 0.226 0.000 2.241 201 C HN 0.630 nan 8.230 nan 0.000 0.499 202 I N 2.595 123.230 120.570 0.108 0.000 2.436 202 I HA 0.333 4.503 4.170 -0.000 0.000 0.289 202 I C -0.931 175.235 176.117 0.082 0.000 1.010 202 I CA -0.432 60.927 61.300 0.098 0.000 1.098 202 I CB 1.159 39.206 38.000 0.079 0.000 1.266 202 I HN 0.627 nan 8.210 nan 0.000 0.434 203 Y N 6.750 127.040 120.300 -0.017 0.000 2.328 203 Y HA 0.657 5.207 4.550 -0.000 0.000 0.336 203 Y C -1.041 174.851 175.900 -0.014 0.000 0.960 203 Y CA -0.794 57.286 58.100 -0.033 0.000 1.134 203 Y CB 1.369 39.818 38.460 -0.018 0.000 1.166 203 Y HN 0.253 nan 8.280 nan 0.000 0.464 204 V N 6.526 126.131 119.914 -0.515 0.000 2.328 204 V HA 0.634 4.754 4.120 -0.000 0.000 0.278 204 V C -0.076 175.737 176.094 -0.469 0.000 1.021 204 V CA -0.644 61.469 62.300 -0.313 0.000 0.838 204 V CB 0.797 32.568 31.823 -0.088 0.000 0.999 204 V HN 0.920 nan 8.190 nan 0.000 0.447 205 A N 6.862 129.549 122.820 -0.221 0.000 2.252 205 A HA 0.839 5.159 4.320 -0.000 0.000 0.309 205 A C -0.619 176.946 177.584 -0.032 0.000 1.285 205 A CA -0.281 51.702 52.037 -0.091 0.000 0.900 205 A CB 0.030 19.108 19.000 0.130 0.000 1.157 205 A HN 0.743 nan 8.150 nan 0.000 0.536 206 I N 2.144 122.694 120.570 -0.034 0.000 2.382 206 I HA 0.575 4.745 4.170 -0.000 0.000 0.286 206 I C 1.112 177.239 176.117 0.017 0.000 1.002 206 I CA 0.542 61.839 61.300 -0.005 0.000 1.135 206 I CB 1.706 39.697 38.000 -0.015 0.000 1.288 206 I HN 0.968 nan 8.210 nan 0.000 0.448 207 G N 3.602 112.419 108.800 0.028 0.000 2.179 207 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.260 207 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.260 207 G C 0.320 175.242 174.900 0.037 0.000 0.977 207 G CA -0.283 44.837 45.100 0.034 0.000 0.641 207 G HN 0.574 nan 8.290 nan 0.000 0.533 208 Q N 0.457 120.283 119.800 0.043 0.000 2.382 208 Q HA 0.453 4.793 4.340 -0.000 0.000 0.229 208 Q C 0.779 176.806 176.000 0.045 0.000 1.006 208 Q CA 0.062 55.895 55.803 0.051 0.000 0.916 208 Q CB 0.546 29.328 28.738 0.073 0.000 1.235 208 Q HN 0.642 nan 8.270 nan 0.000 0.512 209 K N 0.400 120.825 120.400 0.042 0.000 2.237 209 K HA 0.182 4.502 4.320 -0.000 0.000 0.270 209 K C 0.369 176.992 176.600 0.039 0.000 1.015 209 K CA -0.423 55.885 56.287 0.036 0.000 0.949 209 K CB 0.974 33.492 32.500 0.030 0.000 0.976 209 K HN 0.422 nan 8.250 nan 0.000 0.472 210 R N 0.701 121.221 120.500 0.033 0.000 2.127 210 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 210 R C 2.273 178.589 176.300 0.027 0.000 1.134 210 R CA 2.067 58.187 56.100 0.032 0.000 0.975 210 R CB -0.331 29.985 30.300 0.027 0.000 0.865 210 R HN 0.934 nan 8.270 nan 0.000 0.447 211 S N -0.504 115.210 115.700 0.023 0.000 2.406 211 S HA -0.083 4.387 4.470 -0.000 0.000 0.228 211 S C 1.911 176.522 174.600 0.019 0.000 1.020 211 S CA 1.412 59.622 58.200 0.018 0.000 0.965 211 S CB -0.268 62.942 63.200 0.016 0.000 0.798 211 S HN 0.153 nan 8.310 nan 0.000 0.488 212 T N 2.512 117.083 114.554 0.028 0.000 2.746 212 T HA -0.031 4.319 4.350 -0.000 0.000 0.267 212 T C 1.893 176.612 174.700 0.031 0.000 1.039 212 T CA 1.556 63.676 62.100 0.033 0.000 1.142 212 T CB -0.563 68.332 68.868 0.045 0.000 0.866 212 T HN 0.316 nan 8.240 nan 0.000 0.444 213 V N 1.747 121.687 119.914 0.044 0.000 2.358 213 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 213 V C 2.887 178.986 176.094 0.009 0.000 1.047 213 V CA 1.513 63.841 62.300 0.047 0.000 1.035 213 V CB -1.351 30.518 31.823 0.077 0.000 0.658 213 V HN 0.512 nan 8.190 nan 0.000 0.452 214 A N -0.266 122.559 122.820 0.008 0.000 1.869 214 A HA -0.316 4.004 4.320 -0.000 0.000 0.218 214 A C 2.204 179.773 177.584 -0.025 0.000 1.203 214 A CA 2.142 54.175 52.037 -0.006 0.000 0.638 214 A CB -0.656 18.344 19.000 -0.001 0.000 0.831 214 A HN 0.554 nan 8.150 nan 0.000 0.450 215 Q N -0.841 118.947 119.800 -0.021 0.000 2.077 215 Q HA -0.197 4.143 4.340 -0.000 0.000 0.206 215 Q C 2.145 178.110 176.000 -0.059 0.000 0.989 215 Q CA 1.358 57.140 55.803 -0.035 0.000 0.853 215 Q CB -0.732 27.996 28.738 -0.016 0.000 0.907 215 Q HN 0.604 nan 8.270 nan 0.000 0.418 216 L N 1.142 122.327 121.223 -0.062 0.000 1.971 216 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 216 L C 2.497 179.284 176.870 -0.139 0.000 1.072 216 L CA 2.271 57.038 54.840 -0.121 0.000 0.758 216 L CB -1.265 40.694 42.059 -0.167 0.000 0.889 216 L HN 0.247 nan 8.230 nan 0.000 0.433 217 V N -1.701 118.150 119.914 -0.105 0.000 2.667 217 V HA -0.185 3.935 4.120 -0.000 0.000 0.252 217 V C 2.618 178.656 176.094 -0.092 0.000 1.065 217 V CA 1.806 64.047 62.300 -0.097 0.000 1.083 217 V CB -0.695 31.093 31.823 -0.059 0.000 0.692 217 V HN 0.410 nan 8.190 nan 0.000 0.468 218 K N 1.540 121.891 120.400 -0.083 0.000 2.026 218 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 218 K C 2.337 178.870 176.600 -0.113 0.000 1.048 218 K CA 2.193 58.429 56.287 -0.085 0.000 0.929 218 K CB -0.615 31.841 32.500 -0.073 0.000 0.713 218 K HN 0.474 nan 8.250 nan 0.000 0.439 219 R N 0.575 120.993 120.500 -0.136 0.000 2.081 219 R HA 0.007 4.346 4.340 -0.000 0.000 0.235 219 R C 2.087 178.296 176.300 -0.151 0.000 1.131 219 R CA 1.718 57.708 56.100 -0.183 0.000 0.960 219 R CB -0.709 29.471 30.300 -0.201 0.000 0.856 219 R HN 0.357 nan 8.270 nan 0.000 0.436 220 L N -0.519 120.622 121.223 -0.137 0.000 2.156 220 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 220 L C 2.085 178.872 176.870 -0.139 0.000 1.095 220 L CA 1.654 56.410 54.840 -0.140 0.000 0.770 220 L CB -0.542 41.418 42.059 -0.165 0.000 0.914 220 L HN 0.280 nan 8.230 nan 0.000 0.439 221 T N -0.992 113.490 114.554 -0.120 0.000 2.737 221 T HA -0.159 4.191 4.350 -0.000 0.000 0.265 221 T C 1.427 176.073 174.700 -0.090 0.000 1.038 221 T CA 1.388 63.427 62.100 -0.101 0.000 1.144 221 T CB -0.217 68.603 68.868 -0.080 0.000 0.866 221 T HN 0.269 nan 8.240 nan 0.000 0.434 222 D N 1.606 121.949 120.400 -0.095 0.000 2.149 222 D HA -0.039 4.601 4.640 -0.000 0.000 0.198 222 D C 2.067 178.318 176.300 -0.081 0.000 0.990 222 D CA 1.179 55.125 54.000 -0.090 0.000 0.839 222 D CB -0.371 40.362 40.800 -0.113 0.000 0.948 222 D HN 0.430 nan 8.370 nan 0.000 0.460 223 A N 0.054 122.821 122.820 -0.088 0.000 2.235 223 A HA -0.016 4.304 4.320 -0.000 0.000 0.208 223 A C 0.720 178.276 177.584 -0.048 0.000 1.172 223 A CA 0.913 52.915 52.037 -0.059 0.000 0.786 223 A CB -0.056 18.916 19.000 -0.046 0.000 0.804 223 A HN 0.117 nan 8.150 nan 0.000 0.479 224 D N -3.421 116.937 120.400 -0.070 0.000 3.041 224 D HA -0.215 4.425 4.640 -0.000 0.000 0.220 224 D C 0.865 177.092 176.300 -0.121 0.000 1.157 224 D CA 1.181 55.141 54.000 -0.066 0.000 0.876 224 D CB -1.339 39.448 40.800 -0.021 0.000 1.107 224 D HN 0.524 nan 8.370 nan 0.000 0.422 225 A N -0.742 121.947 122.820 -0.219 0.000 2.132 225 A HA 0.066 4.386 4.320 -0.000 0.000 0.213 225 A C 2.122 179.228 177.584 -0.797 0.000 1.154 225 A CA 0.817 52.517 52.037 -0.561 0.000 0.753 225 A CB -0.145 18.667 19.000 -0.314 0.000 0.826 225 A HN 0.310 nan 8.150 nan 0.000 0.469 226 M N 0.970 120.332 119.600 -0.397 0.000 2.213 226 M HA -0.156 4.324 4.480 -0.000 0.000 0.263 226 M C 2.108 178.257 176.300 -0.252 0.000 1.062 226 M CA 1.872 57.002 55.300 -0.284 0.000 1.105 226 M CB -0.889 31.620 32.600 -0.152 0.000 1.385 226 M HN 0.707 nan 8.290 nan 0.000 0.417 227 K N 0.429 120.695 120.400 -0.222 0.000 2.281 227 K HA -0.185 4.135 4.320 -0.000 0.000 0.203 227 K C 0.908 177.528 176.600 0.033 0.000 1.046 227 K CA 1.565 57.817 56.287 -0.060 0.000 0.938 227 K CB -0.619 31.888 32.500 0.012 0.000 0.737 227 K HN 0.532 nan 8.250 nan 0.000 0.458 228 Y N -0.358 119.950 120.300 0.014 0.000 2.660 228 Y HA 0.452 5.002 4.550 -0.000 0.000 0.254 228 Y C -0.483 175.443 175.900 0.042 0.000 1.176 228 Y CA -1.045 57.065 58.100 0.016 0.000 1.195 228 Y CB 0.141 38.541 38.460 -0.100 0.000 1.190 228 Y HN -0.219 nan 8.280 nan 0.000 0.535 229 T N 2.872 117.382 114.554 -0.074 0.000 2.829 229 T HA 0.576 4.926 4.350 -0.000 0.000 0.280 229 T C -0.461 174.268 174.700 0.048 0.000 0.999 229 T CA -0.422 61.672 62.100 -0.010 0.000 0.983 229 T CB 1.771 70.562 68.868 -0.128 0.000 0.968 229 T HN 0.152 nan 8.240 nan 0.000 0.446 230 I N 2.612 123.245 120.570 0.105 0.000 2.336 230 I HA 0.410 4.580 4.170 -0.000 0.000 0.292 230 I C -0.401 175.780 176.117 0.108 0.000 0.991 230 I CA -1.023 60.341 61.300 0.106 0.000 1.227 230 I CB 1.524 39.607 38.000 0.139 0.000 1.366 230 I HN 0.246 nan 8.210 nan 0.000 0.466 231 V N 7.442 127.413 119.914 0.094 0.000 2.328 231 V HA 0.270 4.390 4.120 -0.000 0.000 0.278 231 V C 0.093 176.249 176.094 0.104 0.000 1.021 231 V CA -0.630 61.749 62.300 0.131 0.000 0.838 231 V CB 1.504 33.394 31.823 0.112 0.000 0.999 231 V HN 0.405 nan 8.190 nan 0.000 0.447 232 V N 4.185 124.157 119.914 0.098 0.000 2.370 232 V HA 0.496 4.616 4.120 -0.000 0.000 0.279 232 V C 0.293 176.422 176.094 0.057 0.000 1.029 232 V CA 0.006 62.343 62.300 0.063 0.000 0.870 232 V CB 1.684 33.534 31.823 0.045 0.000 0.984 232 V HN 0.829 nan 8.190 nan 0.000 0.451 233 S N 3.985 119.719 115.700 0.056 0.000 2.774 233 S HA 0.716 5.186 4.470 -0.000 0.000 0.297 233 S C -0.262 174.364 174.600 0.043 0.000 1.143 233 S CA -0.268 57.966 58.200 0.057 0.000 1.090 233 S CB 0.981 64.224 63.200 0.072 0.000 1.019 233 S HN 1.002 nan 8.310 nan 0.000 0.482 234 A N 4.293 127.133 122.820 0.032 0.000 2.511 234 A HA 0.612 4.932 4.320 -0.000 0.000 0.340 234 A C 0.598 178.199 177.584 0.029 0.000 1.396 234 A CA -0.600 51.454 52.037 0.029 0.000 0.887 234 A CB -0.147 18.866 19.000 0.022 0.000 1.145 234 A HN 0.781 nan 8.150 nan 0.000 0.497 235 T N -1.025 113.549 114.554 0.033 0.000 2.771 235 T HA 0.533 4.883 4.350 -0.000 0.000 0.290 235 T C 1.543 176.260 174.700 0.028 0.000 1.005 235 T CA 0.041 62.161 62.100 0.034 0.000 0.944 235 T CB 0.935 69.825 68.868 0.036 0.000 1.147 235 T HN 0.918 nan 8.240 nan 0.000 0.534 236 A N 0.574 123.411 122.820 0.028 0.000 2.019 236 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 236 A C 2.456 180.050 177.584 0.018 0.000 1.164 236 A CA 1.806 53.857 52.037 0.024 0.000 0.644 236 A CB -1.279 17.735 19.000 0.025 0.000 0.805 236 A HN 1.034 nan 8.150 nan 0.000 0.449 237 S N -0.636 115.074 115.700 0.018 0.000 2.524 237 S HA 0.071 4.541 4.470 -0.000 0.000 0.216 237 S C -0.060 174.547 174.600 0.012 0.000 0.987 237 S CA -0.149 58.059 58.200 0.013 0.000 0.909 237 S CB -0.253 62.956 63.200 0.014 0.000 0.781 237 S HN 0.367 nan 8.310 nan 0.000 0.521 238 D N 3.038 123.447 120.400 0.014 0.000 2.414 238 D HA 0.537 5.177 4.640 -0.000 0.000 0.242 238 D C 0.395 176.691 176.300 -0.007 0.000 1.129 238 D CA 0.296 54.302 54.000 0.009 0.000 0.885 238 D CB 0.993 41.801 40.800 0.014 0.000 1.198 238 D HN 0.461 nan 8.370 nan 0.000 0.437 239 A N 1.744 124.552 122.820 -0.021 0.000 2.555 239 A HA 0.325 4.645 4.320 -0.000 0.000 0.233 239 A C 1.520 179.059 177.584 -0.076 0.000 1.060 239 A CA 0.418 52.425 52.037 -0.049 0.000 0.759 239 A CB 0.113 19.077 19.000 -0.061 0.000 0.995 239 A HN 0.645 nan 8.150 nan 0.000 0.506 240 A N 3.152 125.934 122.820 -0.063 0.000 1.903 240 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 240 A C -0.076 177.485 177.584 -0.038 0.000 1.191 240 A CA 2.199 54.214 52.037 -0.038 0.000 0.638 240 A CB -1.807 17.169 19.000 -0.040 0.000 0.823 240 A HN 0.653 nan 8.150 nan 0.000 0.451 241 P HA -0.132 nan 4.420 nan 0.000 0.218 241 P C 1.320 178.486 177.300 -0.222 0.000 1.148 241 P CA 0.939 63.911 63.100 -0.212 0.000 0.822 241 P CB -0.161 31.079 31.700 -0.766 0.000 0.784 242 L N -1.027 120.025 121.223 -0.285 0.000 2.109 242 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 242 L C 2.607 179.471 176.870 -0.010 0.000 1.086 242 L CA 1.398 56.162 54.840 -0.127 0.000 0.760 242 L CB -1.078 40.937 42.059 -0.074 0.000 0.910 242 L HN -0.029 nan 8.230 nan 0.000 0.437 243 Q N -0.961 118.851 119.800 0.019 0.000 2.167 243 Q HA -0.230 4.109 4.340 -0.000 0.000 0.202 243 Q C 2.113 178.181 176.000 0.113 0.000 0.970 243 Q CA 1.556 57.392 55.803 0.054 0.000 0.855 243 Q CB -0.305 28.468 28.738 0.057 0.000 0.911 243 Q HN 0.499 nan 8.270 nan 0.000 0.438 244 Y N 1.300 121.616 120.300 0.028 0.000 2.181 244 Y HA -0.161 4.389 4.550 0.000 0.000 0.288 244 Y C 1.677 177.670 175.900 0.154 0.000 1.146 244 Y CA 1.233 59.390 58.100 0.094 0.000 1.164 244 Y CB -0.263 38.277 38.460 0.132 0.000 0.982 244 Y HN -0.017 nan 8.280 nan 0.000 0.515 245 L N -0.244 120.905 121.223 -0.125 0.000 2.179 245 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 245 L C 2.778 179.644 176.870 -0.008 0.000 1.096 245 L CA 0.763 55.522 54.840 -0.135 0.000 0.779 245 L CB -0.933 41.101 42.059 -0.043 0.000 0.922 245 L HN 0.349 nan 8.230 nan 0.000 0.443 246 A N 1.169 123.977 122.820 -0.021 0.000 1.884 246 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 246 A C -0.077 177.474 177.584 -0.054 0.000 1.197 246 A CA 1.976 54.004 52.037 -0.016 0.000 0.637 246 A CB -1.895 17.101 19.000 -0.007 0.000 0.827 246 A HN 0.267 nan 8.150 nan 0.000 0.450 247 P HA -0.171 nan 4.420 nan 0.000 0.216 247 P C 0.903 178.018 177.300 -0.309 0.000 1.150 247 P CA 1.416 64.329 63.100 -0.313 0.000 0.843 247 P CB -0.236 30.987 31.700 -0.796 0.000 0.787 248 Y N -0.640 119.573 120.300 -0.144 0.000 2.242 248 Y HA -0.122 4.428 4.550 -0.000 0.000 0.291 248 Y C 2.629 178.505 175.900 -0.041 0.000 1.137 248 Y CA 1.231 59.261 58.100 -0.116 0.000 1.181 248 Y CB -1.158 37.184 38.460 -0.196 0.000 0.989 248 Y HN -0.080 nan 8.280 nan 0.000 0.527 249 S N 0.010 115.771 115.700 0.102 0.000 2.348 249 S HA -0.180 4.290 4.470 -0.000 0.000 0.221 249 S C 2.449 177.090 174.600 0.069 0.000 1.033 249 S CA 1.264 59.507 58.200 0.071 0.000 1.010 249 S CB -1.131 62.102 63.200 0.055 0.000 0.891 249 S HN 0.654 nan 8.310 nan 0.000 0.442 250 G N 0.374 109.218 108.800 0.074 0.000 2.469 250 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.219 250 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.219 250 G C 1.750 176.715 174.900 0.109 0.000 1.150 250 G CA 1.154 46.306 45.100 0.086 0.000 0.763 250 G HN 0.583 nan 8.290 nan 0.000 0.561 251 C N 0.434 119.821 119.300 0.145 0.000 2.398 251 C HA -0.065 4.395 4.460 -0.000 0.000 0.276 251 C C 3.281 178.340 174.990 0.114 0.000 1.222 251 C CA 1.838 60.949 59.018 0.154 0.000 1.746 251 C CB -1.016 26.818 27.740 0.156 0.000 2.039 251 C HN 0.364 nan 8.230 nan 0.000 0.470 252 S N 0.209 115.965 115.700 0.093 0.000 2.382 252 S HA -0.138 4.332 4.470 -0.000 0.000 0.228 252 S C 1.702 176.332 174.600 0.049 0.000 1.027 252 S CA 1.962 60.201 58.200 0.065 0.000 0.991 252 S CB -0.340 62.888 63.200 0.046 0.000 0.823 252 S HN 0.670 nan 8.310 nan 0.000 0.469 253 M N 0.594 120.224 119.600 0.049 0.000 2.229 253 M HA -0.018 4.462 4.480 -0.000 0.000 0.264 253 M C 2.329 178.697 176.300 0.114 0.000 1.063 253 M CA 1.342 56.655 55.300 0.022 0.000 1.114 253 M CB -0.538 32.093 32.600 0.052 0.000 1.387 253 M HN 0.413 nan 8.290 nan 0.000 0.420 254 G N -0.153 108.764 108.800 0.194 0.000 2.464 254 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.217 254 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.217 254 G C 1.345 176.381 174.900 0.227 0.000 1.138 254 G CA 0.238 45.522 45.100 0.306 0.000 0.793 254 G HN 0.457 nan 8.290 nan 0.000 0.539 255 E N -0.531 119.745 120.200 0.127 0.000 2.150 255 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 255 E C 1.906 178.526 176.600 0.034 0.000 0.985 255 E CA 0.558 57.005 56.400 0.079 0.000 0.814 255 E CB -0.220 29.517 29.700 0.062 0.000 0.752 255 E HN 0.607 nan 8.360 nan 0.000 0.466 256 Y N 0.525 120.728 120.300 -0.162 0.000 2.165 256 Y HA -0.284 4.266 4.550 -0.000 0.000 0.286 256 Y C 1.639 177.335 175.900 -0.340 0.000 1.155 256 Y CA 1.643 59.560 58.100 -0.305 0.000 1.164 256 Y CB -0.288 37.877 38.460 -0.491 0.000 0.978 256 Y HN -0.053 nan 8.280 nan 0.000 0.513 257 F N 0.029 119.957 119.950 -0.037 0.000 2.098 257 F HA -0.100 4.427 4.527 -0.000 0.000 0.294 257 F C 2.801 178.502 175.800 -0.165 0.000 1.107 257 F CA 1.549 59.441 58.000 -0.180 0.000 1.234 257 F CB -0.683 38.252 39.000 -0.108 0.000 1.002 257 F HN -0.148 nan 8.300 nan 0.000 0.472 258 R N 0.784 121.348 120.500 0.106 0.000 2.119 258 R HA -0.220 4.120 4.340 -0.000 0.000 0.246 258 R C 1.315 177.600 176.300 -0.025 0.000 1.146 258 R CA 2.333 58.454 56.100 0.035 0.000 0.962 258 R CB -0.522 29.813 30.300 0.059 0.000 0.863 258 R HN 0.197 nan 8.270 nan 0.000 0.442 259 D N -0.277 120.088 120.400 -0.058 0.000 2.347 259 D HA -0.018 4.622 4.640 -0.000 0.000 0.215 259 D C 0.228 176.460 176.300 -0.113 0.000 0.976 259 D CA 0.742 54.708 54.000 -0.057 0.000 0.884 259 D CB 0.009 40.777 40.800 -0.053 0.000 0.915 259 D HN 0.304 nan 8.370 nan 0.000 0.526 260 N N -0.154 118.428 118.700 -0.197 0.000 2.467 260 N HA 0.202 4.942 4.740 -0.000 0.000 0.278 260 N C 0.627 176.051 175.510 -0.143 0.000 1.306 260 N CA 0.060 52.978 53.050 -0.220 0.000 0.905 260 N CB 1.513 39.748 38.487 -0.419 0.000 1.236 260 N HN 0.047 nan 8.380 nan 0.000 0.509 261 G N 1.284 110.018 108.800 -0.110 0.000 2.155 261 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.257 261 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.257 261 G C 0.071 174.861 174.900 -0.183 0.000 0.983 261 G CA 0.591 45.623 45.100 -0.113 0.000 0.676 261 G HN 0.340 nan 8.290 nan 0.000 0.528 262 K N -0.166 120.130 120.400 -0.172 0.000 2.295 262 K HA 0.650 4.970 4.320 -0.000 0.000 0.239 262 K C -0.363 176.094 176.600 -0.239 0.000 0.991 262 K CA -1.009 55.194 56.287 -0.140 0.000 0.845 262 K CB 1.195 33.771 32.500 0.127 0.000 1.197 262 K HN 0.312 nan 8.250 nan 0.000 0.441 263 H N -0.153 119.014 119.070 0.161 0.000 2.472 263 H HA 0.595 5.151 4.556 -0.000 0.000 0.338 263 H C -0.867 174.541 175.328 0.132 0.000 1.133 263 H CA -0.776 55.333 56.048 0.102 0.000 1.216 263 H CB 1.964 31.737 29.762 0.018 0.000 1.497 263 H HN 0.686 nan 8.280 nan 0.000 0.500 264 A N 2.702 125.649 122.820 0.212 0.000 2.475 264 A HA 0.511 4.831 4.320 -0.000 0.000 0.301 264 A C -1.458 176.182 177.584 0.095 0.000 1.059 264 A CA -0.655 51.470 52.037 0.147 0.000 0.710 264 A CB 1.968 21.096 19.000 0.214 0.000 1.288 264 A HN 0.477 nan 8.150 nan 0.000 0.408 265 L N 1.923 123.183 121.223 0.062 0.000 2.341 265 L HA 0.829 5.169 4.340 -0.000 0.000 0.278 265 L C -1.007 175.851 176.870 -0.021 0.000 1.005 265 L CA -0.489 54.360 54.840 0.014 0.000 0.818 265 L CB 1.332 43.403 42.059 0.020 0.000 1.259 265 L HN 0.690 nan 8.230 nan 0.000 0.418 266 I N 5.012 125.507 120.570 -0.125 0.000 2.498 266 I HA 0.551 4.721 4.170 -0.000 0.000 0.290 266 I C -1.325 174.515 176.117 -0.463 0.000 1.032 266 I CA -0.448 60.677 61.300 -0.292 0.000 1.073 266 I CB 1.486 39.249 38.000 -0.396 0.000 1.251 266 I HN 0.587 nan 8.210 nan 0.000 0.426 267 I N 8.027 128.346 120.570 -0.417 0.000 2.378 267 I HA 0.294 4.464 4.170 -0.000 0.000 0.291 267 I C -1.148 174.640 176.117 -0.548 0.000 0.992 267 I CA -0.066 61.003 61.300 -0.386 0.000 1.154 267 I CB 1.294 39.237 38.000 -0.094 0.000 1.315 267 I HN 0.372 nan 8.210 nan 0.000 0.448 268 Y N 4.239 124.403 120.300 -0.227 0.000 2.491 268 Y HA 0.385 4.935 4.550 -0.000 0.000 0.334 268 Y C -0.135 175.610 175.900 -0.258 0.000 0.969 268 Y CA -0.720 57.220 58.100 -0.267 0.000 1.241 268 Y CB 0.919 39.227 38.460 -0.253 0.000 1.105 268 Y HN 0.403 nan 8.280 nan 0.000 0.503 269 D N 3.845 124.128 120.400 -0.196 0.000 2.432 269 D HA 0.177 4.817 4.640 -0.000 0.000 0.265 269 D C -1.257 174.990 176.300 -0.088 0.000 1.160 269 D CA -0.381 53.527 54.000 -0.153 0.000 0.911 269 D CB 0.367 41.039 40.800 -0.213 0.000 1.052 269 D HN 0.694 nan 8.370 nan 0.000 0.508 270 D N 0.180 120.555 120.400 -0.042 0.000 2.559 270 D HA 0.265 4.905 4.640 -0.000 0.000 0.250 270 D C 0.844 177.112 176.300 -0.054 0.000 1.135 270 D CA -0.735 53.240 54.000 -0.043 0.000 0.955 270 D CB 1.127 41.913 40.800 -0.023 0.000 1.442 270 D HN 0.063 nan 8.370 nan 0.000 0.471 271 L N 0.044 121.205 121.223 -0.104 0.000 2.341 271 L HA -0.005 4.335 4.340 -0.000 0.000 0.214 271 L C 1.881 178.744 176.870 -0.012 0.000 1.115 271 L CA 0.427 55.165 54.840 -0.170 0.000 0.820 271 L CB -0.356 41.403 42.059 -0.500 0.000 0.944 271 L HN 0.429 nan 8.230 nan 0.000 0.452 272 S N 0.396 116.095 115.700 -0.001 0.000 2.374 272 S HA -0.214 4.256 4.470 -0.000 0.000 0.227 272 S C 1.951 176.615 174.600 0.107 0.000 1.037 272 S CA 1.505 59.742 58.200 0.062 0.000 1.024 272 S CB -0.093 63.136 63.200 0.048 0.000 0.861 272 S HN 0.401 nan 8.310 nan 0.000 0.456 273 K N 0.798 121.244 120.400 0.077 0.000 2.116 273 K HA -0.014 4.306 4.320 -0.000 0.000 0.203 273 K C 2.487 179.152 176.600 0.109 0.000 1.052 273 K CA 0.679 57.017 56.287 0.086 0.000 0.952 273 K CB -0.169 32.364 32.500 0.055 0.000 0.729 273 K HN 0.322 nan 8.250 nan 0.000 0.446 274 Q N 0.892 120.753 119.800 0.102 0.000 2.061 274 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 274 Q C 2.051 178.183 176.000 0.219 0.000 0.984 274 Q CA 1.886 57.775 55.803 0.143 0.000 0.846 274 Q CB -0.134 28.663 28.738 0.098 0.000 0.902 274 Q HN 0.326 nan 8.270 nan 0.000 0.421 275 A N -0.021 122.941 122.820 0.237 0.000 1.933 275 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 275 A C 2.249 180.086 177.584 0.422 0.000 1.175 275 A CA 1.514 53.710 52.037 0.264 0.000 0.628 275 A CB -0.749 18.321 19.000 0.117 0.000 0.814 275 A HN 0.311 nan 8.150 nan 0.000 0.444 276 V N -0.112 120.000 119.914 0.330 0.000 2.332 276 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 276 V C 3.062 179.229 176.094 0.122 0.000 1.055 276 V CA 2.051 64.477 62.300 0.210 0.000 1.038 276 V CB -1.226 30.684 31.823 0.145 0.000 0.651 276 V HN 0.636 nan 8.190 nan 0.000 0.450 277 A N -1.136 121.765 122.820 0.136 0.000 1.877 277 A HA -0.280 4.040 4.320 -0.000 0.000 0.216 277 A C 2.165 179.800 177.584 0.084 0.000 1.186 277 A CA 2.195 54.291 52.037 0.099 0.000 0.620 277 A CB -0.772 18.304 19.000 0.127 0.000 0.822 277 A HN 0.615 nan 8.150 nan 0.000 0.443 278 Y N 0.171 120.474 120.300 0.004 0.000 2.163 278 Y HA -0.166 4.384 4.550 0.000 0.000 0.288 278 Y C 2.527 178.391 175.900 -0.059 0.000 1.136 278 Y CA 1.961 59.996 58.100 -0.107 0.000 1.147 278 Y CB -0.439 37.966 38.460 -0.091 0.000 0.987 278 Y HN 0.313 nan 8.280 nan 0.000 0.509 279 R N 0.277 120.803 120.500 0.043 0.000 2.119 279 R HA -0.312 4.027 4.340 -0.000 0.000 0.246 279 R C 2.452 178.642 176.300 -0.184 0.000 1.146 279 R CA 2.232 58.269 56.100 -0.105 0.000 0.962 279 R CB -0.441 29.717 30.300 -0.237 0.000 0.863 279 R HN 0.563 nan 8.270 nan 0.000 0.442 280 Q N 0.074 119.794 119.800 -0.134 0.000 2.030 280 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 280 Q C 2.157 178.060 176.000 -0.162 0.000 0.986 280 Q CA 2.269 57.998 55.803 -0.123 0.000 0.843 280 Q CB -0.090 28.602 28.738 -0.077 0.000 0.904 280 Q HN 0.420 nan 8.270 nan 0.000 0.420 281 M N -0.140 119.328 119.600 -0.220 0.000 2.065 281 M HA -0.197 4.283 4.480 -0.000 0.000 0.259 281 M C 2.352 178.474 176.300 -0.297 0.000 1.069 281 M CA 1.929 57.073 55.300 -0.260 0.000 1.110 281 M CB -0.126 32.269 32.600 -0.341 0.000 1.328 281 M HN 0.143 nan 8.290 nan 0.000 0.405 282 S N 0.712 116.151 115.700 -0.434 0.000 2.368 282 S HA -0.070 4.400 4.470 -0.000 0.000 0.225 282 S C 1.886 176.375 174.600 -0.186 0.000 1.030 282 S CA 1.132 59.126 58.200 -0.344 0.000 0.999 282 S CB -0.547 62.416 63.200 -0.394 0.000 0.844 282 S HN 0.376 nan 8.310 nan 0.000 0.459 283 L N 0.856 121.979 121.223 -0.167 0.000 2.046 283 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 283 L C 2.225 179.040 176.870 -0.091 0.000 1.077 283 L CA 1.133 55.905 54.840 -0.114 0.000 0.747 283 L CB -0.527 41.463 42.059 -0.114 0.000 0.896 283 L HN 0.279 nan 8.230 nan 0.000 0.432 284 L N -0.801 120.364 121.223 -0.097 0.000 2.240 284 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 284 L C 2.149 178.986 176.870 -0.056 0.000 1.106 284 L CA 0.572 55.371 54.840 -0.069 0.000 0.793 284 L CB -0.150 41.870 42.059 -0.065 0.000 0.927 284 L HN 0.254 nan 8.230 nan 0.000 0.446 285 L N -0.637 120.543 121.223 -0.072 0.000 2.610 285 L HA -0.007 4.333 4.340 -0.000 0.000 0.232 285 L C 0.816 177.661 176.870 -0.041 0.000 1.149 285 L CA 0.234 55.044 54.840 -0.051 0.000 0.872 285 L CB -0.218 41.802 42.059 -0.065 0.000 0.992 285 L HN 0.256 nan 8.230 nan 0.000 0.447 286 R N -0.187 120.284 120.500 -0.048 0.000 3.776 286 R HA -0.143 4.197 4.340 -0.000 0.000 0.312 286 R C -0.032 176.249 176.300 -0.032 0.000 1.181 286 R CA 0.356 56.434 56.100 -0.037 0.000 0.836 286 R CB -1.419 28.867 30.300 -0.023 0.000 1.324 286 R HN 0.365 nan 8.270 nan 0.000 0.501 287 R N 0.798 121.271 120.500 -0.044 0.000 2.694 287 R HA 0.161 4.500 4.340 -0.000 0.000 0.268 287 R C -2.074 174.212 176.300 -0.024 0.000 1.061 287 R CA -1.478 54.604 56.100 -0.029 0.000 1.133 287 R CB 0.120 30.396 30.300 -0.039 0.000 1.020 287 R HN -0.118 nan 8.270 nan 0.000 0.475 288 P HA 0.058 nan 4.420 nan 0.000 0.267 288 P C -2.310 174.988 177.300 -0.003 0.000 1.205 288 P CA -0.914 62.183 63.100 -0.005 0.000 0.765 288 P CB 0.128 31.830 31.700 0.004 0.000 0.828 289 P HA 0.266 nan 4.420 nan 0.000 0.284 289 P C 0.019 177.314 177.300 -0.008 0.000 1.253 289 P CA 0.019 63.110 63.100 -0.014 0.000 0.800 289 P CB 1.511 33.190 31.700 -0.035 0.000 0.961 290 G N 2.061 110.862 108.800 0.003 0.000 3.175 290 G HA2 0.327 4.286 3.960 -0.000 0.000 0.153 290 G HA3 0.327 4.286 3.960 -0.000 0.000 0.153 290 G C -0.550 174.314 174.900 -0.061 0.000 1.216 290 G CA -0.834 44.246 45.100 -0.033 0.000 0.943 290 G HN 0.546 nan 8.290 nan 0.000 0.611 291 R N 0.572 120.973 120.500 -0.164 0.000 2.538 291 R HA 0.092 4.432 4.340 -0.000 0.000 0.282 291 R C 0.076 176.362 176.300 -0.024 0.000 1.009 291 R CA 0.929 56.917 56.100 -0.186 0.000 1.063 291 R CB -0.207 29.835 30.300 -0.430 0.000 0.945 291 R HN 0.698 nan 8.270 nan 0.000 0.414 292 E N 2.471 122.698 120.200 0.044 0.000 2.722 292 E HA -0.330 4.020 4.350 -0.000 0.000 0.265 292 E C 0.224 176.821 176.600 -0.006 0.000 1.081 292 E CA 0.570 57.044 56.400 0.122 0.000 0.781 292 E CB -1.058 28.862 29.700 0.368 0.000 1.372 292 E HN 0.889 nan 8.360 nan 0.000 0.423 293 A N -2.398 120.399 122.820 -0.038 0.000 2.945 293 A HA -0.306 4.014 4.320 -0.000 0.000 0.263 293 A C 0.022 177.528 177.584 -0.131 0.000 1.293 293 A CA 1.791 53.765 52.037 -0.104 0.000 0.944 293 A CB -2.171 16.737 19.000 -0.154 0.000 1.093 293 A HN 0.467 nan 8.150 nan 0.000 0.786 294 Y N 0.410 120.751 120.300 0.068 0.000 2.301 294 Y HA 0.471 5.021 4.550 -0.000 0.000 0.328 294 Y C -1.186 174.787 175.900 0.122 0.000 1.242 294 Y CA -1.192 56.995 58.100 0.146 0.000 1.323 294 Y CB 0.637 39.306 38.460 0.349 0.000 1.266 294 Y HN 0.266 nan 8.280 nan 0.000 0.527 295 P HA 0.104 nan 4.420 nan 0.000 0.278 295 P C 0.377 177.840 177.300 0.271 0.000 1.266 295 P CA -0.315 62.917 63.100 0.219 0.000 0.807 295 P CB 1.014 32.820 31.700 0.177 0.000 1.094 296 G N 0.571 109.489 108.800 0.197 0.000 2.509 296 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 296 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 296 G C 0.652 175.693 174.900 0.234 0.000 1.124 296 G CA 0.447 45.661 45.100 0.189 0.000 0.776 296 G HN 0.623 nan 8.290 nan 0.000 0.547 297 D N 0.080 120.646 120.400 0.278 0.000 2.342 297 D HA 0.075 4.715 4.640 -0.000 0.000 0.221 297 D C 1.787 178.254 176.300 0.279 0.000 1.101 297 D CA -0.304 53.895 54.000 0.333 0.000 0.837 297 D CB 0.120 41.151 40.800 0.385 0.000 0.938 297 D HN 0.120 nan 8.370 nan 0.000 0.508 298 V N -0.302 119.762 119.914 0.250 0.000 2.719 298 V HA -0.059 4.061 4.120 -0.000 0.000 0.252 298 V C 1.743 177.784 176.094 -0.088 0.000 1.065 298 V CA 0.871 63.204 62.300 0.054 0.000 1.086 298 V CB -0.644 31.240 31.823 0.101 0.000 0.700 298 V HN 0.159 nan 8.190 nan 0.000 0.467 299 F N -0.009 119.907 119.950 -0.056 0.000 2.084 299 F HA -0.201 4.326 4.527 -0.000 0.000 0.296 299 F C 2.225 178.057 175.800 0.053 0.000 1.111 299 F CA 2.396 60.370 58.000 -0.044 0.000 1.224 299 F CB -0.627 38.387 39.000 0.023 0.000 0.991 299 F HN 0.344 nan 8.300 nan 0.000 0.471 300 Y N 0.988 121.401 120.300 0.189 0.000 2.069 300 Y HA -0.320 4.230 4.550 -0.000 0.000 0.278 300 Y C 2.272 178.146 175.900 -0.042 0.000 1.175 300 Y CA 1.944 60.097 58.100 0.089 0.000 1.134 300 Y CB -1.274 37.254 38.460 0.114 0.000 0.965 300 Y HN 0.247 nan 8.280 nan 0.000 0.498 301 L N -0.036 121.078 121.223 -0.183 0.000 2.010 301 L HA -0.344 3.996 4.340 -0.000 0.000 0.219 301 L C 2.454 179.247 176.870 -0.127 0.000 1.077 301 L CA 2.716 57.385 54.840 -0.286 0.000 0.773 301 L CB -0.917 40.889 42.059 -0.422 0.000 0.892 301 L HN 0.441 nan 8.230 nan 0.000 0.436 302 H N -2.006 116.919 119.070 -0.242 0.000 2.403 302 H HA -0.056 4.500 4.556 -0.000 0.000 0.298 302 H C 2.388 177.521 175.328 -0.325 0.000 1.059 302 H CA 0.824 56.684 56.048 -0.313 0.000 1.363 302 H CB 0.082 29.631 29.762 -0.356 0.000 1.410 302 H HN 0.572 nan 8.280 nan 0.000 0.528 303 S N 1.513 117.057 115.700 -0.260 0.000 2.368 303 S HA -0.206 4.264 4.470 -0.000 0.000 0.224 303 S C 2.076 176.628 174.600 -0.080 0.000 1.029 303 S CA 1.178 59.229 58.200 -0.248 0.000 0.988 303 S CB -0.235 62.794 63.200 -0.285 0.000 0.838 303 S HN 0.538 nan 8.310 nan 0.000 0.462 304 R N 0.435 120.907 120.500 -0.047 0.000 2.235 304 R HA 0.199 4.539 4.340 -0.000 0.000 0.213 304 R C 2.181 178.492 176.300 0.019 0.000 1.059 304 R CA 0.899 56.990 56.100 -0.015 0.000 0.997 304 R CB -0.522 29.723 30.300 -0.092 0.000 0.884 304 R HN 0.460 nan 8.270 nan 0.000 0.462 305 L N 0.890 122.114 121.223 0.001 0.000 2.049 305 L HA 0.077 4.417 4.340 -0.000 0.000 0.203 305 L C 1.978 178.790 176.870 -0.096 0.000 1.074 305 L CA 1.435 56.223 54.840 -0.087 0.000 0.749 305 L CB -0.147 41.660 42.059 -0.421 0.000 0.907 305 L HN 0.190 nan 8.230 nan 0.000 0.439 306 L N -0.495 120.660 121.223 -0.113 0.000 2.291 306 L HA -0.045 4.295 4.340 -0.000 0.000 0.214 306 L C 2.263 179.124 176.870 -0.015 0.000 1.120 306 L CA 0.374 55.181 54.840 -0.055 0.000 0.799 306 L CB -0.569 41.433 42.059 -0.096 0.000 0.925 306 L HN 0.278 nan 8.230 nan 0.000 0.446 307 E N 0.449 120.640 120.200 -0.015 0.000 2.347 307 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 307 E C 2.063 178.670 176.600 0.013 0.000 1.008 307 E CA 0.554 56.956 56.400 0.003 0.000 0.852 307 E CB 0.059 29.767 29.700 0.013 0.000 0.783 307 E HN 0.478 nan 8.360 nan 0.000 0.505 308 R N 0.575 121.090 120.500 0.024 0.000 2.236 308 R HA 0.104 4.444 4.340 -0.000 0.000 0.208 308 R C 0.918 177.244 176.300 0.043 0.000 1.036 308 R CA 0.361 56.484 56.100 0.037 0.000 1.001 308 R CB 0.078 30.412 30.300 0.057 0.000 0.896 308 R HN -0.071 nan 8.270 nan 0.000 0.464 309 A N 1.276 124.123 122.820 0.046 0.000 2.450 309 A HA 0.568 4.888 4.320 -0.000 0.000 0.255 309 A C -0.154 177.442 177.584 0.021 0.000 1.096 309 A CA 0.143 52.204 52.037 0.040 0.000 0.778 309 A CB 0.376 19.399 19.000 0.038 0.000 1.031 309 A HN 0.305 nan 8.150 nan 0.000 0.494 310 A N 2.057 124.889 122.820 0.021 0.000 2.605 310 A HA 0.661 4.981 4.320 -0.000 0.000 0.294 310 A C -0.861 176.733 177.584 0.018 0.000 1.062 310 A CA -0.750 51.291 52.037 0.006 0.000 0.682 310 A CB 1.094 20.084 19.000 -0.017 0.000 1.278 310 A HN 0.840 nan 8.150 nan 0.000 0.410 311 K N 2.195 122.600 120.400 0.009 0.000 2.334 311 K HA 0.559 4.879 4.320 -0.000 0.000 0.265 311 K C -0.404 176.198 176.600 0.002 0.000 1.039 311 K CA -0.395 55.907 56.287 0.025 0.000 0.920 311 K CB 0.227 32.740 32.500 0.023 0.000 1.160 311 K HN 0.625 nan 8.250 nan 0.000 0.451 312 M N 2.817 122.424 119.600 0.011 0.000 2.241 312 M HA 0.158 4.638 4.480 -0.000 0.000 0.335 312 M C 0.473 176.797 176.300 0.040 0.000 1.122 312 M CA -0.485 54.813 55.300 -0.004 0.000 1.164 312 M CB 0.107 32.730 32.600 0.038 0.000 1.459 312 M HN 0.712 nan 8.290 nan 0.000 0.461 313 N N 0.972 119.706 118.700 0.056 0.000 2.347 313 N HA 0.097 4.837 4.740 -0.000 0.000 0.253 313 N C 0.106 175.701 175.510 0.142 0.000 1.274 313 N CA -0.282 52.828 53.050 0.099 0.000 0.941 313 N CB 0.426 38.975 38.487 0.104 0.000 1.200 313 N HN 0.408 nan 8.380 nan 0.000 0.514 314 D N -0.430 120.031 120.400 0.102 0.000 2.144 314 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 314 D C 1.705 178.044 176.300 0.066 0.000 0.984 314 D CA 1.729 55.772 54.000 0.072 0.000 0.834 314 D CB -0.648 40.179 40.800 0.045 0.000 0.955 314 D HN 0.715 nan 8.370 nan 0.000 0.465 315 A N 0.043 122.916 122.820 0.089 0.000 2.024 315 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 315 A C 1.510 179.022 177.584 -0.120 0.000 1.164 315 A CA 1.004 53.040 52.037 -0.002 0.000 0.643 315 A CB -0.684 18.333 19.000 0.028 0.000 0.806 315 A HN 0.184 nan 8.150 nan 0.000 0.451 316 F N -1.305 118.635 119.950 -0.016 0.000 2.639 316 F HA 0.410 4.937 4.527 -0.000 0.000 0.300 316 F C 1.721 177.499 175.800 -0.037 0.000 1.109 316 F CA 0.579 58.565 58.000 -0.024 0.000 1.335 316 F CB 0.547 39.536 39.000 -0.018 0.000 1.014 316 F HN 0.356 nan 8.300 nan 0.000 0.537 317 G N -0.445 108.398 108.800 0.072 0.000 2.254 317 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.225 317 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.225 317 G C 1.284 176.191 174.900 0.011 0.000 1.003 317 G CA -0.114 44.995 45.100 0.015 0.000 0.622 317 G HN 1.037 nan 8.290 nan 0.000 0.507 318 G N -0.242 108.587 108.800 0.049 0.000 2.148 318 G HA2 0.183 4.143 3.960 -0.000 0.000 0.254 318 G HA3 0.183 4.143 3.960 -0.000 0.000 0.254 318 G C 1.520 176.418 174.900 -0.003 0.000 0.981 318 G CA 1.092 46.217 45.100 0.043 0.000 0.670 318 G HN 2.124 nan 8.290 nan 0.000 0.528 319 G N -0.457 108.305 108.800 -0.063 0.000 2.653 319 G HA2 0.693 4.653 3.960 -0.000 0.000 0.265 319 G HA3 0.693 4.653 3.960 -0.000 0.000 0.265 319 G C 0.351 175.235 174.900 -0.026 0.000 1.237 319 G CA 1.041 46.035 45.100 -0.176 0.000 0.946 319 G HN 1.878 nan 8.290 nan 0.000 0.522 320 S N -1.682 114.033 115.700 0.025 0.000 2.570 320 S HA 0.613 5.083 4.470 -0.000 0.000 0.270 320 S C -1.578 173.097 174.600 0.125 0.000 1.149 320 S CA -0.815 57.466 58.200 0.134 0.000 0.837 320 S CB 1.951 65.306 63.200 0.258 0.000 1.124 320 S HN 1.130 nan 8.310 nan 0.000 0.465 321 L N 1.686 122.965 121.223 0.093 0.000 2.404 321 L HA 0.704 5.044 4.340 -0.000 0.000 0.272 321 L C -0.823 176.077 176.870 0.050 0.000 0.980 321 L CA 0.218 55.108 54.840 0.083 0.000 0.836 321 L CB 1.868 43.975 42.059 0.080 0.000 1.238 321 L HN 0.924 nan 8.230 nan 0.000 0.408 322 T N 4.323 118.896 114.554 0.032 0.000 2.795 322 T HA 0.817 5.167 4.350 -0.000 0.000 0.282 322 T C -0.250 174.427 174.700 -0.039 0.000 0.980 322 T CA -0.234 61.865 62.100 -0.002 0.000 1.012 322 T CB 1.360 70.221 68.868 -0.011 0.000 0.936 322 T HN 0.772 nan 8.240 nan 0.000 0.457 323 A N 3.604 126.398 122.820 -0.043 0.000 2.318 323 A HA 0.737 5.057 4.320 -0.000 0.000 0.324 323 A C -0.353 177.177 177.584 -0.090 0.000 1.170 323 A CA -0.718 51.261 52.037 -0.097 0.000 0.810 323 A CB 0.524 19.536 19.000 0.021 0.000 1.198 323 A HN 0.871 nan 8.150 nan 0.000 0.484 324 L N 4.746 125.879 121.223 -0.149 0.000 2.426 324 L HA 0.304 4.644 4.340 -0.000 0.000 0.255 324 L C -2.256 174.560 176.870 -0.090 0.000 1.080 324 L CA -1.752 53.028 54.840 -0.099 0.000 0.960 324 L CB 1.179 43.191 42.059 -0.079 0.000 1.326 324 L HN 0.508 nan 8.230 nan 0.000 0.441 325 P HA 0.079 nan 4.420 nan 0.000 0.271 325 P C -0.423 176.843 177.300 -0.056 0.000 1.216 325 P CA -0.052 63.059 63.100 0.017 0.000 0.776 325 P CB 1.846 33.530 31.700 -0.027 0.000 0.881 326 V N 4.688 124.569 119.914 -0.055 0.000 2.459 326 V HA 0.391 4.511 4.120 -0.000 0.000 0.295 326 V C 0.397 176.446 176.094 -0.074 0.000 1.029 326 V CA -0.558 61.706 62.300 -0.060 0.000 0.874 326 V CB 1.571 33.373 31.823 -0.035 0.000 0.985 326 V HN 0.417 nan 8.190 nan 0.000 0.438 327 I N 3.550 124.078 120.570 -0.070 0.000 2.498 327 I HA 0.420 4.590 4.170 -0.000 0.000 0.290 327 I C -0.043 176.061 176.117 -0.022 0.000 1.032 327 I CA -0.437 60.830 61.300 -0.055 0.000 1.073 327 I CB 2.101 40.060 38.000 -0.069 0.000 1.251 327 I HN 0.741 nan 8.210 nan 0.000 0.426 328 E N 5.037 125.237 120.200 0.000 0.000 2.146 328 E HA 0.360 4.710 4.350 -0.000 0.000 0.282 328 E C -0.402 176.219 176.600 0.035 0.000 0.989 328 E CA -0.365 56.046 56.400 0.018 0.000 0.799 328 E CB 1.063 30.778 29.700 0.025 0.000 1.088 328 E HN 0.703 nan 8.360 nan 0.000 0.397 329 T N 2.077 116.658 114.554 0.045 0.000 2.824 329 T HA 0.318 4.668 4.350 -0.000 0.000 0.277 329 T C -0.052 174.684 174.700 0.061 0.000 0.975 329 T CA -0.967 61.170 62.100 0.062 0.000 0.966 329 T CB 1.301 70.218 68.868 0.081 0.000 1.054 329 T HN 0.342 nan 8.240 nan 0.000 0.533 330 Q N 0.199 120.039 119.800 0.067 0.000 2.339 330 Q HA 0.544 4.884 4.340 -0.000 0.000 0.268 330 Q C 0.162 176.197 176.000 0.058 0.000 1.027 330 Q CA -0.260 55.580 55.803 0.061 0.000 0.759 330 Q CB 1.258 30.036 28.738 0.067 0.000 1.244 330 Q HN 1.220 nan 8.270 nan 0.000 0.464 331 A N 2.096 124.948 122.820 0.053 0.000 2.745 331 A HA -0.139 4.180 4.320 -0.000 0.000 0.296 331 A C 1.141 178.757 177.584 0.053 0.000 1.500 331 A CA 1.564 53.632 52.037 0.050 0.000 0.766 331 A CB -2.092 16.935 19.000 0.045 0.000 1.030 331 A HN 1.617 nan 8.150 nan 0.000 0.489 332 G N -1.188 107.649 108.800 0.061 0.000 2.155 332 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.257 332 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.257 332 G C -0.008 174.932 174.900 0.067 0.000 0.983 332 G CA 0.988 46.127 45.100 0.066 0.000 0.676 332 G HN 1.625 nan 8.290 nan 0.000 0.528 333 D N 0.914 121.356 120.400 0.069 0.000 2.470 333 D HA 0.360 5.000 4.640 -0.000 0.000 0.226 333 D C 1.895 178.249 176.300 0.089 0.000 1.196 333 D CA 0.287 54.330 54.000 0.071 0.000 0.979 333 D CB 0.394 41.236 40.800 0.070 0.000 1.059 333 D HN 0.607 nan 8.370 nan 0.000 0.515 334 V N 0.966 120.938 119.914 0.098 0.000 3.510 334 V HA 0.034 4.154 4.120 -0.000 0.000 0.270 334 V C 1.428 177.589 176.094 0.110 0.000 1.201 334 V CA 0.642 63.020 62.300 0.130 0.000 1.166 334 V CB -0.130 31.806 31.823 0.189 0.000 0.825 334 V HN 0.264 nan 8.190 nan 0.000 0.484 335 S N 0.324 116.079 115.700 0.092 0.000 2.540 335 S HA 0.603 5.073 4.470 -0.000 0.000 0.218 335 S C 1.235 175.903 174.600 0.113 0.000 0.977 335 S CA 0.273 58.529 58.200 0.094 0.000 0.918 335 S CB 0.062 63.306 63.200 0.073 0.000 0.806 335 S HN 0.884 nan 8.310 nan 0.000 0.496 336 A N 0.366 123.255 122.820 0.115 0.000 2.409 336 A HA 0.342 4.662 4.320 -0.000 0.000 0.246 336 A C 0.762 178.457 177.584 0.186 0.000 1.099 336 A CA -0.044 52.080 52.037 0.145 0.000 0.789 336 A CB -0.154 18.924 19.000 0.130 0.000 1.053 336 A HN 0.494 nan 8.150 nan 0.000 0.503 337 Y N 0.175 120.506 120.300 0.052 0.000 2.070 337 Y HA -0.207 4.343 4.550 -0.000 0.000 0.279 337 Y C 1.951 177.835 175.900 -0.027 0.000 1.134 337 Y CA 1.895 60.007 58.100 0.020 0.000 1.113 337 Y CB -0.052 38.426 38.460 0.029 0.000 0.981 337 Y HN 0.509 nan 8.280 nan 0.000 0.487 338 I N 0.589 121.003 120.570 -0.259 0.000 2.179 338 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 338 I C -0.600 175.438 176.117 -0.132 0.000 1.088 338 I CA 1.276 62.381 61.300 -0.326 0.000 1.357 338 I CB -2.933 34.905 38.000 -0.270 0.000 1.051 338 I HN 0.212 nan 8.210 nan 0.000 0.409 339 P HA -0.140 nan 4.420 nan 0.000 0.214 339 P C 1.844 179.155 177.300 0.019 0.000 1.163 339 P CA 2.016 65.117 63.100 0.002 0.000 0.889 339 P CB -0.238 31.493 31.700 0.051 0.000 0.790 340 T N -0.502 114.080 114.554 0.046 0.000 2.653 340 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 340 T C 1.596 176.348 174.700 0.087 0.000 1.035 340 T CA 1.843 63.992 62.100 0.083 0.000 1.154 340 T CB -1.067 67.878 68.868 0.128 0.000 0.862 340 T HN 0.131 nan 8.240 nan 0.000 0.441 341 N N 0.765 119.482 118.700 0.029 0.000 2.025 341 N HA -0.073 4.667 4.740 -0.000 0.000 0.194 341 N C 1.995 177.521 175.510 0.025 0.000 1.044 341 N CA 1.018 54.137 53.050 0.115 0.000 0.851 341 N CB -0.907 37.547 38.487 -0.054 0.000 1.036 341 N HN 0.246 nan 8.380 nan 0.000 0.422 342 V N 1.499 121.383 119.914 -0.051 0.000 2.453 342 V HA -0.078 4.042 4.120 -0.000 0.000 0.247 342 V C 2.268 178.325 176.094 -0.061 0.000 1.048 342 V CA 0.862 63.099 62.300 -0.105 0.000 1.049 342 V CB -0.421 31.305 31.823 -0.162 0.000 0.672 342 V HN 0.224 nan 8.190 nan 0.000 0.457 343 I N 0.889 121.450 120.570 -0.015 0.000 2.163 343 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 343 I C 2.779 178.923 176.117 0.045 0.000 1.085 343 I CA 2.120 63.430 61.300 0.016 0.000 1.347 343 I CB -0.472 37.574 38.000 0.077 0.000 1.044 343 I HN 0.462 nan 8.210 nan 0.000 0.408 344 S N 1.035 116.787 115.700 0.087 0.000 2.382 344 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 344 S C 2.021 176.689 174.600 0.112 0.000 1.027 344 S CA 1.095 59.372 58.200 0.129 0.000 0.991 344 S CB -0.420 62.907 63.200 0.212 0.000 0.823 344 S HN 0.366 nan 8.310 nan 0.000 0.469 345 I N 1.864 122.465 120.570 0.052 0.000 2.252 345 I HA -0.066 4.104 4.170 -0.000 0.000 0.245 345 I C 1.633 177.739 176.117 -0.018 0.000 1.102 345 I CA 1.086 62.373 61.300 -0.021 0.000 1.385 345 I CB -0.760 37.128 38.000 -0.186 0.000 1.064 345 I HN 0.466 nan 8.210 nan 0.000 0.414 346 T N -1.885 112.651 114.554 -0.031 0.000 2.726 346 T HA 0.039 4.389 4.350 -0.000 0.000 0.294 346 T C 0.569 175.263 174.700 -0.009 0.000 1.013 346 T CA -0.430 61.651 62.100 -0.032 0.000 0.996 346 T CB 0.638 69.473 68.868 -0.056 0.000 1.016 346 T HN 0.075 nan 8.240 nan 0.000 0.529 347 D N -0.080 120.312 120.400 -0.013 0.000 2.349 347 D HA 0.332 4.972 4.640 -0.000 0.000 0.214 347 D C 0.936 177.235 176.300 -0.002 0.000 1.063 347 D CA 0.438 54.436 54.000 -0.003 0.000 0.847 347 D CB 0.319 41.116 40.800 -0.006 0.000 0.933 347 D HN 0.897 nan 8.370 nan 0.000 0.513 348 G N 0.103 108.894 108.800 -0.016 0.000 2.328 348 G HA2 0.327 4.287 3.960 -0.000 0.000 0.299 348 G HA3 0.327 4.287 3.960 -0.000 0.000 0.299 348 G C -1.925 172.926 174.900 -0.082 0.000 1.435 348 G CA -0.830 44.259 45.100 -0.019 0.000 0.865 348 G HN -0.075 nan 8.290 nan 0.000 0.601 349 Q N -0.858 118.868 119.800 -0.125 0.000 2.359 349 Q HA 0.695 5.035 4.340 -0.000 0.000 0.274 349 Q C -0.655 175.141 176.000 -0.340 0.000 1.074 349 Q CA -0.482 55.108 55.803 -0.355 0.000 0.810 349 Q CB 2.760 31.055 28.738 -0.738 0.000 1.342 349 Q HN 0.582 nan 8.270 nan 0.000 0.427 350 I N 2.718 123.079 120.570 -0.348 0.000 2.330 350 I HA 0.343 4.513 4.170 -0.000 0.000 0.286 350 I C -0.924 175.037 176.117 -0.260 0.000 1.025 350 I CA -0.381 60.802 61.300 -0.194 0.000 1.197 350 I CB 0.345 38.291 38.000 -0.090 0.000 1.358 350 I HN 0.457 nan 8.210 nan 0.000 0.467 351 F N 6.787 126.746 119.950 0.015 0.000 2.424 351 F HA 0.432 4.958 4.527 -0.000 0.000 0.356 351 F C 0.186 176.000 175.800 0.023 0.000 1.110 351 F CA -0.420 57.590 58.000 0.018 0.000 1.161 351 F CB 0.615 39.627 39.000 0.020 0.000 1.115 351 F HN 0.162 nan 8.300 nan 0.000 0.507 352 L N 3.586 124.910 121.223 0.169 0.000 2.325 352 L HA 0.587 4.927 4.340 -0.000 0.000 0.278 352 L C -0.531 176.413 176.870 0.123 0.000 1.023 352 L CA -0.768 54.144 54.840 0.120 0.000 0.811 352 L CB 1.847 43.943 42.059 0.063 0.000 1.249 352 L HN 0.580 nan 8.230 nan 0.000 0.431 353 E N 0.372 120.642 120.200 0.115 0.000 2.272 353 E HA 0.257 4.607 4.350 -0.000 0.000 0.269 353 E C -0.072 176.598 176.600 0.117 0.000 0.877 353 E CA -0.526 55.938 56.400 0.107 0.000 0.755 353 E CB 2.408 32.170 29.700 0.103 0.000 1.192 353 E HN 0.531 nan 8.360 nan 0.000 0.422 354 T N 1.134 115.753 114.554 0.107 0.000 2.720 354 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 354 T C 1.563 176.419 174.700 0.259 0.000 1.037 354 T CA 1.616 63.807 62.100 0.152 0.000 1.144 354 T CB 0.000 68.970 68.868 0.169 0.000 0.864 354 T HN 0.549 nan 8.240 nan 0.000 0.444 355 E N 0.636 120.958 120.200 0.204 0.000 2.051 355 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 355 E C 2.133 178.841 176.600 0.181 0.000 0.991 355 E CA 0.816 57.336 56.400 0.200 0.000 0.799 355 E CB -0.221 29.559 29.700 0.133 0.000 0.748 355 E HN 0.435 nan 8.360 nan 0.000 0.449 356 L N 0.026 121.335 121.223 0.144 0.000 2.046 356 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 356 L C 2.405 179.326 176.870 0.085 0.000 1.077 356 L CA 1.116 56.020 54.840 0.107 0.000 0.747 356 L CB -0.544 41.573 42.059 0.097 0.000 0.896 356 L HN 0.226 nan 8.230 nan 0.000 0.432 357 F N 0.259 120.174 119.950 -0.058 0.000 2.043 357 F HA -0.346 4.181 4.527 -0.000 0.000 0.297 357 F C 2.294 177.954 175.800 -0.233 0.000 1.118 357 F CA 1.900 59.779 58.000 -0.202 0.000 1.202 357 F CB -0.480 38.303 39.000 -0.362 0.000 0.965 357 F HN -0.048 nan 8.300 nan 0.000 0.482 358 Y N -0.371 120.046 120.300 0.195 0.000 2.516 358 Y HA -0.035 4.515 4.550 -0.000 0.000 0.291 358 Y C 2.090 178.001 175.900 0.019 0.000 1.131 358 Y CA 0.675 58.831 58.100 0.094 0.000 1.281 358 Y CB -0.347 38.210 38.460 0.162 0.000 1.013 358 Y HN -0.007 nan 8.280 nan 0.000 0.554 359 K N -0.348 120.130 120.400 0.130 0.000 2.504 359 K HA 0.017 4.337 4.320 -0.000 0.000 0.195 359 K C 1.477 178.084 176.600 0.012 0.000 1.036 359 K CA 0.784 57.116 56.287 0.076 0.000 0.984 359 K CB -0.146 32.401 32.500 0.078 0.000 0.788 359 K HN 0.474 nan 8.250 nan 0.000 0.488 360 G N 0.915 109.674 108.800 -0.068 0.000 2.194 360 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.236 360 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.236 360 G C 0.111 174.932 174.900 -0.132 0.000 0.987 360 G CA -0.359 44.670 45.100 -0.119 0.000 0.635 360 G HN 0.142 nan 8.290 nan 0.000 0.520 361 I N 2.274 122.787 120.570 -0.094 0.000 2.357 361 I HA 0.290 4.460 4.170 -0.000 0.000 0.300 361 I C 0.698 176.751 176.117 -0.107 0.000 1.159 361 I CA 0.567 61.832 61.300 -0.059 0.000 1.339 361 I CB -0.737 37.265 38.000 0.004 0.000 1.458 361 I HN 0.183 nan 8.210 nan 0.000 0.577 362 R N 7.340 127.760 120.500 -0.134 0.000 2.532 362 R HA 0.430 4.770 4.340 -0.000 0.000 0.297 362 R C -2.586 173.675 176.300 -0.065 0.000 0.984 362 R CA -1.735 54.284 56.100 -0.135 0.000 0.884 362 R CB 2.272 32.392 30.300 -0.300 0.000 1.182 362 R HN 0.256 nan 8.270 nan 0.000 0.442 363 P HA -0.031 nan 4.420 nan 0.000 0.268 363 P C -0.129 177.198 177.300 0.045 0.000 1.205 363 P CA -0.008 63.103 63.100 0.019 0.000 0.771 363 P CB 0.869 32.578 31.700 0.015 0.000 0.858 364 A N 4.354 127.243 122.820 0.113 0.000 2.426 364 A HA 0.112 4.432 4.320 -0.000 0.000 0.247 364 A C 0.926 178.572 177.584 0.105 0.000 1.389 364 A CA -0.257 51.858 52.037 0.131 0.000 1.129 364 A CB -1.436 17.713 19.000 0.248 0.000 0.928 364 A HN 0.497 nan 8.150 nan 0.000 0.557 365 I N 1.113 121.731 120.570 0.081 0.000 2.533 365 I HA -0.014 4.156 4.170 -0.000 0.000 0.284 365 I C 0.600 176.776 176.117 0.098 0.000 1.109 365 I CA -0.272 61.081 61.300 0.088 0.000 1.412 365 I CB 0.423 38.463 38.000 0.066 0.000 1.396 365 I HN 0.298 nan 8.210 nan 0.000 0.543 366 N N 6.490 125.268 118.700 0.130 0.000 2.415 366 N HA 0.045 4.785 4.740 -0.000 0.000 0.250 366 N C 0.640 176.216 175.510 0.110 0.000 1.127 366 N CA 0.098 53.214 53.050 0.110 0.000 0.945 366 N CB 1.415 39.962 38.487 0.099 0.000 1.196 366 N HN 0.444 nan 8.380 nan 0.000 0.499 367 V N 3.608 123.571 119.914 0.083 0.000 2.809 367 V HA -0.066 4.054 4.120 -0.000 0.000 0.256 367 V C 2.123 178.256 176.094 0.065 0.000 1.080 367 V CA 1.932 64.277 62.300 0.075 0.000 1.102 367 V CB -0.356 31.506 31.823 0.065 0.000 0.705 367 V HN 0.775 nan 8.190 nan 0.000 0.475 368 G N -0.716 108.111 108.800 0.046 0.000 2.403 368 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.216 368 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.216 368 G C 1.495 176.401 174.900 0.010 0.000 1.154 368 G CA 0.575 45.687 45.100 0.019 0.000 0.784 368 G HN 0.476 nan 8.290 nan 0.000 0.538 369 L N 0.566 121.792 121.223 0.005 0.000 2.253 369 L HA 0.179 4.519 4.340 -0.000 0.000 0.205 369 L C 1.225 178.213 176.870 0.196 0.000 1.078 369 L CA -0.095 54.710 54.840 -0.058 0.000 0.805 369 L CB -0.160 41.681 42.059 -0.364 0.000 0.963 369 L HN -0.002 nan 8.230 nan 0.000 0.459 370 S N 0.147 116.041 115.700 0.324 0.000 2.568 370 S HA 0.256 4.726 4.470 -0.000 0.000 0.282 370 S C -0.272 174.444 174.600 0.193 0.000 1.338 370 S CA -0.101 58.307 58.200 0.347 0.000 1.045 370 S CB 1.776 65.098 63.200 0.204 0.000 0.873 370 S HN 0.071 nan 8.310 nan 0.000 0.516 371 V N 1.980 121.982 119.914 0.148 0.000 2.969 371 V HA 0.675 4.795 4.120 -0.000 0.000 0.304 371 V C -0.950 175.171 176.094 0.046 0.000 1.192 371 V CA -0.489 61.866 62.300 0.092 0.000 0.962 371 V CB 2.504 34.391 31.823 0.107 0.000 1.045 371 V HN 0.799 nan 8.190 nan 0.000 0.428 372 S N 5.184 120.903 115.700 0.031 0.000 2.498 372 S HA 0.544 5.014 4.470 -0.000 0.000 0.317 372 S C 0.673 175.284 174.600 0.018 0.000 1.090 372 S CA -0.675 57.534 58.200 0.014 0.000 1.089 372 S CB 1.369 64.573 63.200 0.006 0.000 0.997 372 S HN 0.806 nan 8.310 nan 0.000 0.470 373 R N 3.015 123.525 120.500 0.016 0.000 2.276 373 R HA 0.039 4.379 4.340 -0.000 0.000 0.203 373 R C 1.561 177.867 176.300 0.010 0.000 1.017 373 R CA 0.599 56.709 56.100 0.017 0.000 1.010 373 R CB -0.176 30.136 30.300 0.020 0.000 0.900 373 R HN 0.509 nan 8.270 nan 0.000 0.469 374 V N 0.384 120.301 119.914 0.004 0.000 2.283 374 V HA -0.077 4.043 4.120 -0.000 0.000 0.243 374 V C 1.714 177.808 176.094 0.000 0.000 1.039 374 V CA 1.867 64.166 62.300 -0.000 0.000 1.016 374 V CB -0.838 30.981 31.823 -0.007 0.000 0.650 374 V HN 0.681 nan 8.190 nan 0.000 0.449 375 G N -0.100 108.701 108.800 0.001 0.000 2.556 375 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.283 375 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.283 375 G C 1.035 175.935 174.900 -0.001 0.000 1.177 375 G CA 0.546 45.648 45.100 0.004 0.000 0.978 375 G HN 0.371 nan 8.290 nan 0.000 0.554 376 S N 0.603 116.304 115.700 0.001 0.000 2.389 376 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 376 S C 2.861 177.458 174.600 -0.006 0.000 1.052 376 S CA 2.932 61.131 58.200 -0.001 0.000 1.053 376 S CB -0.872 62.329 63.200 0.001 0.000 0.886 376 S HN 1.846 nan 8.310 nan 0.000 0.456 377 A N 0.640 123.456 122.820 -0.006 0.000 2.093 377 A HA 0.014 4.334 4.320 -0.000 0.000 0.222 377 A C 1.910 179.483 177.584 -0.019 0.000 1.162 377 A CA 1.788 53.819 52.037 -0.011 0.000 0.655 377 A CB -0.575 18.420 19.000 -0.008 0.000 0.805 377 A HN 0.600 nan 8.150 nan 0.000 0.461 378 A N -1.655 121.152 122.820 -0.021 0.000 2.503 378 A HA 0.409 4.729 4.320 -0.000 0.000 0.263 378 A C 0.580 178.144 177.584 -0.034 0.000 1.258 378 A CA -0.284 51.733 52.037 -0.033 0.000 0.936 378 A CB 0.103 19.083 19.000 -0.034 0.000 1.070 378 A HN 0.569 nan 8.150 nan 0.000 0.522 379 Q N 0.704 120.491 119.800 -0.022 0.000 2.266 379 Q HA 0.448 4.788 4.340 -0.000 0.000 0.261 379 Q C -0.148 175.841 176.000 -0.018 0.000 0.985 379 Q CA -0.514 55.278 55.803 -0.017 0.000 0.873 379 Q CB 1.714 30.448 28.738 -0.005 0.000 1.306 379 Q HN 0.479 nan 8.270 nan 0.000 0.447 380 T N -1.404 113.140 114.554 -0.016 0.000 2.904 380 T HA 0.241 4.591 4.350 -0.000 0.000 0.290 380 T C 1.003 175.702 174.700 -0.002 0.000 1.018 380 T CA -0.621 61.471 62.100 -0.013 0.000 1.075 380 T CB 1.086 69.947 68.868 -0.011 0.000 0.986 380 T HN 0.561 nan 8.240 nan 0.000 0.523 381 R N 0.937 121.436 120.500 -0.001 0.000 2.117 381 R HA -0.140 4.200 4.340 -0.000 0.000 0.243 381 R C 2.691 178.999 176.300 0.013 0.000 1.143 381 R CA 1.459 57.562 56.100 0.005 0.000 0.968 381 R CB -0.946 29.357 30.300 0.004 0.000 0.863 381 R HN 0.860 nan 8.270 nan 0.000 0.444 382 A N 1.046 123.875 122.820 0.014 0.000 1.858 382 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 382 A C 2.122 179.724 177.584 0.031 0.000 1.190 382 A CA 1.621 53.672 52.037 0.023 0.000 0.617 382 A CB -0.439 18.572 19.000 0.018 0.000 0.827 382 A HN 0.231 nan 8.150 nan 0.000 0.443 383 M N -0.144 119.470 119.600 0.025 0.000 2.086 383 M HA -0.083 4.397 4.480 -0.000 0.000 0.261 383 M C 1.891 178.205 176.300 0.024 0.000 1.067 383 M CA 2.045 57.361 55.300 0.027 0.000 1.116 383 M CB -0.605 32.008 32.600 0.021 0.000 1.348 383 M HN 0.396 nan 8.290 nan 0.000 0.407 384 K N -0.471 119.939 120.400 0.017 0.000 2.059 384 K HA -0.311 4.008 4.320 -0.000 0.000 0.212 384 K C 2.157 178.768 176.600 0.018 0.000 1.050 384 K CA 2.340 58.635 56.287 0.014 0.000 0.927 384 K CB -0.293 32.212 32.500 0.009 0.000 0.714 384 K HN 0.610 nan 8.250 nan 0.000 0.447 385 Q N 0.146 119.960 119.800 0.024 0.000 1.927 385 Q HA -0.193 4.147 4.340 -0.000 0.000 0.210 385 Q C 1.961 177.978 176.000 0.029 0.000 1.001 385 Q CA 2.864 58.685 55.803 0.029 0.000 0.862 385 Q CB -0.114 28.649 28.738 0.042 0.000 0.934 385 Q HN 0.333 nan 8.270 nan 0.000 0.420 386 V N -1.693 118.247 119.914 0.042 0.000 2.759 386 V HA -0.046 4.074 4.120 -0.000 0.000 0.256 386 V C 2.041 178.148 176.094 0.022 0.000 1.080 386 V CA 1.531 63.855 62.300 0.039 0.000 1.101 386 V CB -1.320 30.546 31.823 0.072 0.000 0.698 386 V HN 0.461 nan 8.190 nan 0.000 0.477 387 A N 1.645 124.479 122.820 0.022 0.000 1.898 387 A HA 0.109 4.429 4.320 -0.000 0.000 0.216 387 A C 2.411 180.001 177.584 0.010 0.000 1.181 387 A CA 1.733 53.780 52.037 0.016 0.000 0.620 387 A CB -1.464 17.546 19.000 0.017 0.000 0.819 387 A HN 0.640 nan 8.150 nan 0.000 0.442 388 G N -0.810 107.995 108.800 0.009 0.000 2.440 388 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 388 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 388 G C 1.553 176.452 174.900 -0.001 0.000 1.154 388 G CA 1.765 46.868 45.100 0.004 0.000 0.767 388 G HN 0.455 nan 8.290 nan 0.000 0.552 389 T N 0.581 115.132 114.554 -0.006 0.000 2.857 389 T HA -0.005 4.345 4.350 -0.000 0.000 0.266 389 T C 2.285 176.973 174.700 -0.020 0.000 1.048 389 T CA 1.105 63.194 62.100 -0.018 0.000 1.139 389 T CB -0.139 68.711 68.868 -0.030 0.000 0.874 389 T HN 0.204 nan 8.240 nan 0.000 0.455 390 M N 0.932 120.524 119.600 -0.014 0.000 2.086 390 M HA -0.107 4.373 4.480 -0.000 0.000 0.261 390 M C 2.400 178.699 176.300 -0.001 0.000 1.067 390 M CA 1.631 56.923 55.300 -0.013 0.000 1.116 390 M CB -0.157 32.440 32.600 -0.006 0.000 1.348 390 M HN 0.078 nan 8.290 nan 0.000 0.407 391 K N 0.131 120.535 120.400 0.006 0.000 2.044 391 K HA -0.248 4.072 4.320 -0.000 0.000 0.210 391 K C 1.885 178.493 176.600 0.012 0.000 1.049 391 K CA 1.743 58.038 56.287 0.014 0.000 0.927 391 K CB -0.320 32.188 32.500 0.013 0.000 0.713 391 K HN 0.290 nan 8.250 nan 0.000 0.443 392 L N 1.686 122.912 121.223 0.004 0.000 2.017 392 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 392 L C 1.838 178.710 176.870 0.004 0.000 1.073 392 L CA 1.845 56.685 54.840 0.000 0.000 0.745 392 L CB -0.297 41.757 42.059 -0.008 0.000 0.894 392 L HN 0.219 nan 8.230 nan 0.000 0.432 393 E N -0.751 119.447 120.200 -0.002 0.000 2.150 393 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 393 E C 2.262 178.886 176.600 0.040 0.000 0.985 393 E CA 1.163 57.563 56.400 -0.002 0.000 0.814 393 E CB -0.167 29.513 29.700 -0.034 0.000 0.752 393 E HN 0.497 nan 8.360 nan 0.000 0.466 394 L N 0.322 121.574 121.223 0.048 0.000 2.109 394 L HA -0.101 4.239 4.340 -0.000 0.000 0.207 394 L C 2.479 179.423 176.870 0.123 0.000 1.086 394 L CA 0.767 55.677 54.840 0.118 0.000 0.760 394 L CB -0.273 41.837 42.059 0.084 0.000 0.910 394 L HN 0.141 nan 8.230 nan 0.000 0.437 395 A N -0.488 122.366 122.820 0.056 0.000 1.898 395 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 395 A C 2.193 179.779 177.584 0.002 0.000 1.181 395 A CA 1.332 53.381 52.037 0.021 0.000 0.620 395 A CB -0.403 18.601 19.000 0.007 0.000 0.819 395 A HN 0.439 nan 8.150 nan 0.000 0.442 396 Q N -1.993 117.815 119.800 0.013 0.000 2.170 396 Q HA -0.200 4.140 4.340 -0.000 0.000 0.203 396 Q C 1.966 177.970 176.000 0.007 0.000 0.976 396 Q CA 1.701 57.499 55.803 -0.007 0.000 0.858 396 Q CB -0.345 28.392 28.738 -0.003 0.000 0.907 396 Q HN 0.841 nan 8.270 nan 0.000 0.433 397 Y N 1.379 121.635 120.300 -0.073 0.000 2.114 397 Y HA -0.178 4.372 4.550 -0.000 0.000 0.284 397 Y C 2.065 177.917 175.900 -0.081 0.000 1.143 397 Y CA 1.520 59.575 58.100 -0.075 0.000 1.135 397 Y CB -0.150 38.279 38.460 -0.051 0.000 0.980 397 Y HN -0.136 nan 8.280 nan 0.000 0.499 398 R N 0.295 120.640 120.500 -0.258 0.000 2.139 398 R HA -0.197 4.143 4.340 -0.000 0.000 0.243 398 R C 2.126 178.262 176.300 -0.275 0.000 1.145 398 R CA 1.902 57.807 56.100 -0.325 0.000 0.976 398 R CB -0.208 30.011 30.300 -0.134 0.000 0.866 398 R HN 0.558 nan 8.270 nan 0.000 0.449 399 E N -0.563 119.504 120.200 -0.222 0.000 2.107 399 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 399 E C 1.420 177.795 176.600 -0.374 0.000 0.982 399 E CA 1.244 57.514 56.400 -0.217 0.000 0.809 399 E CB 0.299 29.899 29.700 -0.167 0.000 0.756 399 E HN 0.150 nan 8.360 nan 0.000 0.459 400 V N 0.243 119.871 119.914 -0.477 0.000 3.621 400 V HA 0.175 4.295 4.120 -0.000 0.000 0.285 400 V C 1.860 177.669 176.094 -0.475 0.000 1.346 400 V CA 0.664 62.485 62.300 -0.797 0.000 1.104 400 V CB 0.265 31.730 31.823 -0.597 0.000 0.913 400 V HN 0.194 nan 8.190 nan 0.000 0.432 401 A N 0.953 123.528 122.820 -0.409 0.000 2.084 401 A HA -0.071 4.249 4.320 -0.000 0.000 0.221 401 A C 2.212 179.769 177.584 -0.045 0.000 1.161 401 A CA 1.978 53.784 52.037 -0.384 0.000 0.653 401 A CB -0.281 18.331 19.000 -0.648 0.000 0.802 401 A HN 0.635 nan 8.150 nan 0.000 0.457 402 A N -1.678 121.211 122.820 0.115 0.000 2.178 402 A HA 0.354 4.674 4.320 -0.000 0.000 0.211 402 A C 1.438 179.283 177.584 0.434 0.000 1.157 402 A CA 0.121 52.312 52.037 0.257 0.000 0.780 402 A CB -0.485 18.639 19.000 0.207 0.000 0.828 402 A HN 0.539 nan 8.150 nan 0.000 0.476 403 F N -0.666 119.303 119.950 0.033 0.000 2.773 403 F HA 0.190 4.717 4.527 -0.000 0.000 0.304 403 F C 2.234 178.093 175.800 0.099 0.000 1.129 403 F CA -0.103 57.937 58.000 0.067 0.000 1.378 403 F CB 0.120 39.142 39.000 0.036 0.000 1.095 403 F HN 0.319 nan 8.300 nan 0.000 0.565 404 A N 0.772 123.768 122.820 0.292 0.000 1.832 404 A HA -0.150 4.170 4.320 -0.000 0.000 0.214 404 A C 2.007 179.681 177.584 0.151 0.000 1.242 404 A CA 0.896 53.052 52.037 0.198 0.000 0.603 404 A CB -0.701 18.405 19.000 0.176 0.000 0.902 404 A HN 0.308 nan 8.150 nan 0.000 0.455 405 Q N -1.605 118.285 119.800 0.151 0.000 2.364 405 Q HA -0.030 4.310 4.340 -0.000 0.000 0.207 405 Q C -0.161 175.703 176.000 -0.227 0.000 0.970 405 Q CA 0.860 56.649 55.803 -0.023 0.000 0.888 405 Q CB -0.082 28.638 28.738 -0.029 0.000 0.951 405 Q HN 0.654 nan 8.270 nan 0.000 0.469 406 F N -0.416 119.554 119.950 0.034 0.000 2.928 406 F HA 0.395 4.922 4.527 -0.000 0.000 0.337 406 F C 0.366 176.168 175.800 0.004 0.000 1.259 406 F CA -0.583 57.420 58.000 0.005 0.000 1.267 406 F CB 1.347 40.333 39.000 -0.023 0.000 0.986 406 F HN -0.201 nan 8.300 nan 0.000 0.507 407 G N -0.752 108.121 108.800 0.122 0.000 2.719 407 G HA2 0.439 4.399 3.960 -0.000 0.000 0.284 407 G HA3 0.439 4.399 3.960 -0.000 0.000 0.284 407 G C -0.114 174.822 174.900 0.060 0.000 1.488 407 G CA -0.369 44.794 45.100 0.105 0.000 1.139 407 G HN 0.143 nan 8.290 nan 0.000 0.552 408 S N 1.220 116.945 115.700 0.042 0.000 2.665 408 S HA 0.087 4.557 4.470 -0.000 0.000 0.240 408 S C 0.336 174.954 174.600 0.030 0.000 1.081 408 S CA 0.072 58.287 58.200 0.026 0.000 0.887 408 S CB 0.491 63.697 63.200 0.010 0.000 0.805 408 S HN 0.542 nan 8.310 nan 0.000 0.486 409 D N 2.040 122.460 120.400 0.034 0.000 3.133 409 D HA 0.456 5.096 4.640 -0.000 0.000 0.288 409 D C -0.891 175.436 176.300 0.045 0.000 1.346 409 D CA -0.137 53.882 54.000 0.032 0.000 0.934 409 D CB 0.035 40.849 40.800 0.023 0.000 1.042 409 D HN 0.161 nan 8.370 nan 0.000 0.506 410 L N 0.966 122.224 121.223 0.057 0.000 2.375 410 L HA 0.339 4.679 4.340 -0.000 0.000 0.268 410 L C 0.737 177.639 176.870 0.053 0.000 1.058 410 L CA -1.123 53.762 54.840 0.075 0.000 0.803 410 L CB 0.718 42.838 42.059 0.101 0.000 1.212 410 L HN 0.128 nan 8.230 nan 0.000 0.451 411 D N 0.995 121.428 120.400 0.055 0.000 2.362 411 D HA 0.091 4.731 4.640 -0.000 0.000 0.242 411 D C 0.784 177.101 176.300 0.028 0.000 1.132 411 D CA -0.079 53.942 54.000 0.036 0.000 0.907 411 D CB 1.473 42.293 40.800 0.034 0.000 1.195 411 D HN 0.606 nan 8.370 nan 0.000 0.429 412 A N 1.748 124.577 122.820 0.015 0.000 2.019 412 A HA 0.006 4.326 4.320 -0.000 0.000 0.219 412 A C 2.161 179.745 177.584 0.000 0.000 1.164 412 A CA 1.838 53.879 52.037 0.006 0.000 0.644 412 A CB -0.763 18.236 19.000 -0.001 0.000 0.805 412 A HN 0.728 nan 8.150 nan 0.000 0.449 413 A N -0.103 122.718 122.820 0.001 0.000 1.877 413 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 413 A C 2.414 179.994 177.584 -0.007 0.000 1.186 413 A CA 2.451 54.484 52.037 -0.006 0.000 0.620 413 A CB -1.253 17.744 19.000 -0.005 0.000 0.822 413 A HN 0.744 nan 8.150 nan 0.000 0.443 414 T N -2.944 111.613 114.554 0.004 0.000 3.043 414 T HA -0.017 4.333 4.350 -0.000 0.000 0.263 414 T C 1.785 176.496 174.700 0.019 0.000 1.094 414 T CA 1.092 63.191 62.100 -0.001 0.000 1.127 414 T CB -0.195 68.679 68.868 0.010 0.000 0.905 414 T HN 0.545 nan 8.240 nan 0.000 0.490 415 Q N 0.431 120.246 119.800 0.025 0.000 2.167 415 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 415 Q C 2.440 178.444 176.000 0.008 0.000 0.970 415 Q CA 1.402 57.221 55.803 0.027 0.000 0.855 415 Q CB -0.151 28.600 28.738 0.022 0.000 0.911 415 Q HN 0.529 nan 8.270 nan 0.000 0.438 416 Q N 0.983 120.779 119.800 -0.007 0.000 2.083 416 Q HA -0.091 4.248 4.340 -0.000 0.000 0.198 416 Q C 1.811 177.794 176.000 -0.028 0.000 0.969 416 Q CA 1.290 57.077 55.803 -0.027 0.000 0.838 416 Q CB -0.218 28.499 28.738 -0.036 0.000 0.900 416 Q HN 0.361 nan 8.270 nan 0.000 0.436 417 L N -0.217 121.001 121.223 -0.009 0.000 2.046 417 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 417 L C 2.361 179.272 176.870 0.069 0.000 1.077 417 L CA 1.001 55.848 54.840 0.012 0.000 0.747 417 L CB -0.501 41.562 42.059 0.007 0.000 0.896 417 L HN 0.273 nan 8.230 nan 0.000 0.432 418 L N -1.298 119.982 121.223 0.095 0.000 2.027 418 L HA -0.186 4.154 4.340 -0.000 0.000 0.206 418 L C 2.768 179.629 176.870 -0.016 0.000 1.074 418 L CA 1.012 55.954 54.840 0.170 0.000 0.745 418 L CB -0.568 41.585 42.059 0.155 0.000 0.898 418 L HN 0.142 nan 8.230 nan 0.000 0.433 419 S N -0.311 115.368 115.700 -0.036 0.000 2.359 419 S HA -0.265 4.205 4.470 -0.000 0.000 0.222 419 S C 2.094 176.603 174.600 -0.151 0.000 1.038 419 S CA 1.777 59.927 58.200 -0.083 0.000 1.051 419 S CB -0.263 62.898 63.200 -0.064 0.000 0.944 419 S HN 0.265 nan 8.310 nan 0.000 0.433 420 R N 1.270 121.684 120.500 -0.143 0.000 2.105 420 R HA -0.046 4.294 4.340 -0.000 0.000 0.239 420 R C 2.165 178.309 176.300 -0.261 0.000 1.135 420 R CA 1.999 57.997 56.100 -0.169 0.000 0.967 420 R CB -1.274 28.950 30.300 -0.127 0.000 0.861 420 R HN 0.383 nan 8.270 nan 0.000 0.442 421 G N -0.108 108.453 108.800 -0.399 0.000 2.453 421 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.215 421 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.215 421 G C 1.467 175.795 174.900 -0.954 0.000 1.201 421 G CA 1.429 45.995 45.100 -0.890 0.000 0.784 421 G HN 0.366 nan 8.290 nan 0.000 0.545 422 V N -0.763 118.670 119.914 -0.803 0.000 2.568 422 V HA -0.058 4.062 4.120 -0.000 0.000 0.253 422 V C 2.594 178.540 176.094 -0.246 0.000 1.072 422 V CA 2.247 64.301 62.300 -0.411 0.000 1.084 422 V CB -0.617 31.101 31.823 -0.175 0.000 0.676 422 V HN 0.272 nan 8.190 nan 0.000 0.469 423 R N 0.030 120.387 120.500 -0.238 0.000 2.073 423 R HA 0.215 4.555 4.340 -0.000 0.000 0.229 423 R C 2.333 178.544 176.300 -0.148 0.000 1.120 423 R CA 1.711 57.709 56.100 -0.170 0.000 0.967 423 R CB -0.477 29.721 30.300 -0.169 0.000 0.862 423 R HN 0.508 nan 8.270 nan 0.000 0.436 424 L N -0.414 120.707 121.223 -0.170 0.000 2.093 424 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 424 L C 2.125 178.942 176.870 -0.088 0.000 1.085 424 L CA 1.227 55.998 54.840 -0.116 0.000 0.755 424 L CB -0.607 41.385 42.059 -0.112 0.000 0.904 424 L HN 0.228 nan 8.230 nan 0.000 0.435 425 T N -0.684 113.797 114.554 -0.122 0.000 2.720 425 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 425 T C 1.768 176.444 174.700 -0.039 0.000 1.037 425 T CA 1.269 63.332 62.100 -0.062 0.000 1.144 425 T CB -0.130 68.700 68.868 -0.063 0.000 0.864 425 T HN 0.323 nan 8.240 nan 0.000 0.444 426 E N 0.908 121.076 120.200 -0.054 0.000 2.150 426 E HA 0.041 4.391 4.350 -0.000 0.000 0.193 426 E C 2.221 178.812 176.600 -0.015 0.000 0.985 426 E CA 0.538 56.920 56.400 -0.030 0.000 0.814 426 E CB -0.266 29.414 29.700 -0.035 0.000 0.752 426 E HN 0.474 nan 8.360 nan 0.000 0.466 427 L N 0.364 121.574 121.223 -0.022 0.000 2.376 427 L HA -0.057 4.283 4.340 -0.000 0.000 0.219 427 L C 2.201 179.075 176.870 0.006 0.000 1.133 427 L CA 0.437 55.277 54.840 -0.000 0.000 0.816 427 L CB -0.129 41.925 42.059 -0.008 0.000 0.933 427 L HN 0.090 nan 8.230 nan 0.000 0.449 428 L N -0.755 120.467 121.223 -0.002 0.000 2.509 428 L HA 0.020 4.360 4.340 -0.000 0.000 0.222 428 L C 0.866 177.737 176.870 0.002 0.000 1.123 428 L CA 0.103 54.946 54.840 0.005 0.000 0.856 428 L CB -0.054 42.010 42.059 0.008 0.000 0.985 428 L HN 0.108 nan 8.230 nan 0.000 0.456 429 K N 1.336 121.734 120.400 -0.004 0.000 2.436 429 K HA 0.132 4.452 4.320 -0.000 0.000 0.275 429 K C -0.134 176.460 176.600 -0.009 0.000 0.999 429 K CA 0.426 56.705 56.287 -0.014 0.000 0.980 429 K CB 0.606 33.095 32.500 -0.019 0.000 0.919 429 K HN -0.000 nan 8.250 nan 0.000 0.484 430 Q N 0.561 120.348 119.800 -0.022 0.000 2.320 430 Q HA 0.302 4.642 4.340 -0.000 0.000 0.272 430 Q C -0.796 175.182 176.000 -0.037 0.000 1.023 430 Q CA -0.606 55.186 55.803 -0.019 0.000 0.855 430 Q CB 1.787 30.515 28.738 -0.016 0.000 1.367 430 Q HN 0.789 nan 8.270 nan 0.000 0.406 431 G N 1.766 110.549 108.800 -0.028 0.000 2.636 431 G HA2 0.110 4.070 3.960 -0.000 0.000 0.246 431 G HA3 0.110 4.070 3.960 -0.000 0.000 0.246 431 G C -0.598 174.254 174.900 -0.080 0.000 1.216 431 G CA -0.159 44.918 45.100 -0.038 0.000 0.854 431 G HN 0.621 nan 8.290 nan 0.000 0.572 432 Q N -1.004 118.709 119.800 -0.144 0.000 2.312 432 Q HA 0.314 4.654 4.340 -0.000 0.000 0.236 432 Q C -0.278 175.575 176.000 -0.246 0.000 0.965 432 Q CA -0.473 55.110 55.803 -0.367 0.000 0.894 432 Q CB 0.442 28.760 28.738 -0.701 0.000 1.225 432 Q HN 0.660 nan 8.270 nan 0.000 0.478 433 Y N -0.857 119.444 120.300 0.001 0.000 4.798 433 Y HA -0.286 4.264 4.550 -0.000 0.000 0.237 433 Y C -0.157 175.736 175.900 -0.010 0.000 1.017 433 Y CA 0.547 58.642 58.100 -0.008 0.000 2.010 433 Y CB -2.155 36.299 38.460 -0.011 0.000 1.582 433 Y HN 0.447 nan 8.280 nan 0.000 0.621 434 S N -0.663 115.079 115.700 0.071 0.000 2.112 434 S HA 0.403 4.873 4.470 -0.000 0.000 0.151 434 S C -2.434 172.171 174.600 0.009 0.000 1.723 434 S CA -1.156 57.067 58.200 0.039 0.000 1.263 434 S CB 1.372 64.592 63.200 0.034 0.000 1.194 434 S HN 0.072 nan 8.310 nan 0.000 0.419 435 P HA 0.279 nan 4.420 nan 0.000 0.271 435 P C -0.584 176.705 177.300 -0.019 0.000 1.218 435 P CA -0.237 62.861 63.100 -0.003 0.000 0.780 435 P CB 0.611 32.313 31.700 0.004 0.000 0.901 436 M N 1.422 121.013 119.600 -0.015 0.000 2.537 436 M HA 0.545 5.025 4.480 -0.000 0.000 0.324 436 M C 0.564 176.846 176.300 -0.029 0.000 1.187 436 M CA -0.915 54.369 55.300 -0.026 0.000 0.993 436 M CB 1.850 34.444 32.600 -0.011 0.000 1.666 436 M HN 0.315 nan 8.290 nan 0.000 0.461 437 A N 1.101 123.890 122.820 -0.051 0.000 2.366 437 A HA 0.260 4.580 4.320 -0.000 0.000 0.249 437 A C 0.920 178.507 177.584 0.005 0.000 1.084 437 A CA -0.385 51.628 52.037 -0.041 0.000 0.794 437 A CB 0.131 19.087 19.000 -0.074 0.000 1.034 437 A HN 0.899 nan 8.150 nan 0.000 0.491 438 I N 0.505 121.101 120.570 0.042 0.000 2.208 438 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 438 I C 2.544 178.674 176.117 0.022 0.000 1.097 438 I CA 2.224 63.549 61.300 0.042 0.000 1.363 438 I CB -0.330 37.705 38.000 0.058 0.000 1.051 438 I HN 0.836 nan 8.210 nan 0.000 0.413 439 E N 0.241 120.445 120.200 0.007 0.000 2.208 439 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 439 E C 1.751 178.339 176.600 -0.019 0.000 0.988 439 E CA 1.229 57.624 56.400 -0.009 0.000 0.828 439 E CB -0.640 29.047 29.700 -0.022 0.000 0.763 439 E HN 0.606 nan 8.360 nan 0.000 0.478 440 E N 1.060 121.245 120.200 -0.024 0.000 2.072 440 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 440 E C 2.323 178.933 176.600 0.016 0.000 0.985 440 E CA 1.022 57.406 56.400 -0.027 0.000 0.801 440 E CB -0.079 29.595 29.700 -0.044 0.000 0.750 440 E HN 0.353 nan 8.360 nan 0.000 0.452 441 Q N 0.394 120.207 119.800 0.021 0.000 2.030 441 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 441 Q C 2.647 178.682 176.000 0.059 0.000 0.986 441 Q CA 2.085 57.912 55.803 0.039 0.000 0.843 441 Q CB -0.329 28.429 28.738 0.033 0.000 0.904 441 Q HN 0.348 nan 8.270 nan 0.000 0.420 442 V N -1.812 118.134 119.914 0.054 0.000 2.407 442 V HA -0.151 3.969 4.120 -0.000 0.000 0.248 442 V C 2.149 178.311 176.094 0.114 0.000 1.055 442 V CA 1.707 64.053 62.300 0.076 0.000 1.049 442 V CB -1.174 30.684 31.823 0.059 0.000 0.662 442 V HN 0.291 nan 8.190 nan 0.000 0.455 443 A N 0.526 123.397 122.820 0.085 0.000 1.877 443 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 443 A C 2.405 180.139 177.584 0.251 0.000 1.186 443 A CA 2.384 54.492 52.037 0.119 0.000 0.620 443 A CB -0.982 18.060 19.000 0.070 0.000 0.822 443 A HN 0.495 nan 8.150 nan 0.000 0.443 444 V N 0.159 120.208 119.914 0.225 0.000 2.295 444 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 444 V C 2.428 178.593 176.094 0.117 0.000 1.049 444 V CA 2.058 64.468 62.300 0.185 0.000 1.024 444 V CB -0.681 31.231 31.823 0.147 0.000 0.648 444 V HN 0.569 nan 8.190 nan 0.000 0.447 445 I N -0.981 119.657 120.570 0.114 0.000 2.252 445 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 445 I C 2.430 178.609 176.117 0.103 0.000 1.102 445 I CA 2.017 63.366 61.300 0.081 0.000 1.385 445 I CB -0.500 37.538 38.000 0.064 0.000 1.064 445 I HN 0.378 nan 8.210 nan 0.000 0.414 446 Y N 1.984 122.298 120.300 0.023 0.000 2.096 446 Y HA -0.420 4.130 4.550 -0.000 0.000 0.278 446 Y C 2.535 178.467 175.900 0.054 0.000 1.192 446 Y CA 1.904 60.027 58.100 0.039 0.000 1.143 446 Y CB -0.303 38.188 38.460 0.051 0.000 0.963 446 Y HN 0.155 nan 8.280 nan 0.000 0.505 447 A N 0.109 123.072 122.820 0.239 0.000 1.908 447 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 447 A C 2.420 180.008 177.584 0.006 0.000 1.181 447 A CA 1.883 53.986 52.037 0.110 0.000 0.627 447 A CB -1.686 17.244 19.000 -0.117 0.000 0.818 447 A HN 0.646 nan 8.150 nan 0.000 0.445 448 G N -0.394 108.378 108.800 -0.047 0.000 2.404 448 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.213 448 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.213 448 G C 1.555 176.377 174.900 -0.130 0.000 1.189 448 G CA 1.583 46.623 45.100 -0.100 0.000 0.796 448 G HN 0.976 nan 8.290 nan 0.000 0.532 449 V N -1.591 118.252 119.914 -0.118 0.000 2.913 449 V HA 0.114 4.234 4.120 -0.000 0.000 0.260 449 V C 2.336 178.300 176.094 -0.216 0.000 1.098 449 V CA 1.255 63.471 62.300 -0.141 0.000 1.121 449 V CB -0.441 31.324 31.823 -0.096 0.000 0.714 449 V HN 0.104 nan 8.190 nan 0.000 0.487 450 R N 0.833 121.151 120.500 -0.303 0.000 2.280 450 R HA 0.302 4.642 4.340 -0.000 0.000 0.195 450 R C 1.875 177.848 176.300 -0.545 0.000 0.935 450 R CA 0.786 56.621 56.100 -0.441 0.000 1.033 450 R CB 0.093 30.048 30.300 -0.575 0.000 0.964 450 R HN 0.822 nan 8.270 nan 0.000 0.489 451 G N -0.017 108.543 108.800 -0.400 0.000 2.179 451 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.220 451 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.220 451 G C 0.602 175.291 174.900 -0.352 0.000 0.990 451 G CA 0.072 44.957 45.100 -0.359 0.000 0.646 451 G HN 0.377 nan 8.290 nan 0.000 0.517 452 Y N 0.328 120.516 120.300 -0.186 0.000 2.483 452 Y HA 0.207 4.757 4.550 -0.000 0.000 0.291 452 Y C 2.500 178.247 175.900 -0.256 0.000 1.143 452 Y CA 1.348 59.340 58.100 -0.180 0.000 1.289 452 Y CB 0.054 38.423 38.460 -0.152 0.000 0.983 452 Y HN 0.372 nan 8.280 nan 0.000 0.556 453 L N -0.818 120.299 121.223 -0.176 0.000 2.728 453 L HA 0.102 4.442 4.340 -0.000 0.000 0.238 453 L C 0.772 177.521 176.870 -0.203 0.000 1.143 453 L CA -0.092 54.576 54.840 -0.287 0.000 0.937 453 L CB 0.037 41.873 42.059 -0.373 0.000 1.225 453 L HN 0.032 nan 8.230 nan 0.000 0.507 454 D N 1.156 121.459 120.400 -0.162 0.000 2.218 454 D HA -0.131 4.509 4.640 -0.000 0.000 0.204 454 D C 1.907 178.147 176.300 -0.100 0.000 0.976 454 D CA 1.261 55.182 54.000 -0.132 0.000 0.853 454 D CB 0.251 40.972 40.800 -0.131 0.000 0.939 454 D HN 0.250 nan 8.370 nan 0.000 0.481 455 K N -0.463 119.884 120.400 -0.089 0.000 2.352 455 K HA 0.070 4.390 4.320 -0.000 0.000 0.194 455 K C 0.344 176.914 176.600 -0.049 0.000 1.038 455 K CA -0.449 55.804 56.287 -0.057 0.000 1.023 455 K CB 0.498 32.977 32.500 -0.036 0.000 0.840 455 K HN 0.012 nan 8.250 nan 0.000 0.519 456 L N 2.894 124.067 121.223 -0.085 0.000 2.499 456 L HA -0.003 4.337 4.340 -0.000 0.000 0.273 456 L C 0.061 176.903 176.870 -0.045 0.000 1.195 456 L CA 0.537 55.334 54.840 -0.072 0.000 0.882 456 L CB 0.196 42.137 42.059 -0.197 0.000 1.133 456 L HN 0.058 nan 8.230 nan 0.000 0.483 457 E N 6.653 126.857 120.200 0.007 0.000 2.452 457 E HA -0.040 4.310 4.350 -0.000 0.000 0.261 457 E C -1.595 175.009 176.600 0.006 0.000 0.987 457 E CA -1.040 55.367 56.400 0.012 0.000 0.926 457 E CB 0.682 30.405 29.700 0.038 0.000 0.934 457 E HN 0.535 nan 8.360 nan 0.000 0.452 458 P HA -0.216 nan 4.420 nan 0.000 0.216 458 P C 1.310 178.617 177.300 0.012 0.000 1.153 458 P CA 1.459 64.550 63.100 -0.015 0.000 0.858 458 P CB 0.113 31.805 31.700 -0.015 0.000 0.789 459 S N -1.052 114.667 115.700 0.031 0.000 2.469 459 S HA -0.092 4.378 4.470 -0.000 0.000 0.238 459 S C 1.646 176.297 174.600 0.086 0.000 0.998 459 S CA 1.068 59.297 58.200 0.049 0.000 0.957 459 S CB -0.778 62.450 63.200 0.045 0.000 0.764 459 S HN 0.121 nan 8.310 nan 0.000 0.514 460 K N 0.286 120.753 120.400 0.112 0.000 2.393 460 K HA 0.360 4.680 4.320 -0.000 0.000 0.193 460 K C 1.391 178.103 176.600 0.188 0.000 1.026 460 K CA 0.008 56.424 56.287 0.215 0.000 1.064 460 K CB 0.034 32.725 32.500 0.318 0.000 0.833 460 K HN 0.303 nan 8.250 nan 0.000 0.521 461 I N 1.259 121.877 120.570 0.080 0.000 2.252 461 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 461 I C 2.083 178.276 176.117 0.126 0.000 1.102 461 I CA 1.716 63.041 61.300 0.043 0.000 1.385 461 I CB -1.629 36.359 38.000 -0.021 0.000 1.064 461 I HN 0.252 nan 8.210 nan 0.000 0.414 462 T N -0.521 114.096 114.554 0.106 0.000 2.746 462 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 462 T C 1.936 176.719 174.700 0.140 0.000 1.039 462 T CA 1.207 63.368 62.100 0.102 0.000 1.142 462 T CB -0.349 68.560 68.868 0.068 0.000 0.866 462 T HN 0.265 nan 8.240 nan 0.000 0.444 463 K N 0.174 120.690 120.400 0.193 0.000 2.057 463 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 463 K C 2.082 178.869 176.600 0.312 0.000 1.049 463 K CA 1.282 57.730 56.287 0.269 0.000 0.931 463 K CB -0.374 32.340 32.500 0.356 0.000 0.714 463 K HN 0.397 nan 8.250 nan 0.000 0.440 464 F N 2.116 122.083 119.950 0.029 0.000 2.102 464 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 464 F C 2.316 178.100 175.800 -0.026 0.000 1.105 464 F CA 1.892 59.714 58.000 -0.297 0.000 1.239 464 F CB -0.259 38.347 39.000 -0.656 0.000 0.991 464 F HN 0.146 nan 8.300 nan 0.000 0.474 465 E N 0.216 120.469 120.200 0.089 0.000 2.058 465 E HA -0.331 4.019 4.350 -0.000 0.000 0.194 465 E C 2.037 178.632 176.600 -0.009 0.000 0.997 465 E CA 1.584 58.011 56.400 0.045 0.000 0.801 465 E CB -0.471 29.303 29.700 0.124 0.000 0.746 465 E HN 0.505 nan 8.360 nan 0.000 0.450 466 N N 0.232 118.951 118.700 0.031 0.000 2.069 466 N HA -0.190 4.550 4.740 -0.000 0.000 0.191 466 N C 1.649 177.168 175.510 0.015 0.000 1.031 466 N CA 2.159 55.227 53.050 0.030 0.000 0.852 466 N CB -0.288 38.237 38.487 0.064 0.000 1.018 466 N HN 0.214 nan 8.380 nan 0.000 0.423 467 A N -0.379 122.479 122.820 0.063 0.000 1.873 467 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 467 A C 2.194 179.773 177.584 -0.008 0.000 1.186 467 A CA 1.303 53.434 52.037 0.157 0.000 0.616 467 A CB -1.246 17.997 19.000 0.404 0.000 0.823 467 A HN 0.510 nan 8.150 nan 0.000 0.442 468 F N 0.209 119.810 119.950 -0.582 0.000 2.126 468 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 468 F C 1.804 177.276 175.800 -0.547 0.000 1.096 468 F CA 1.878 59.190 58.000 -1.146 0.000 1.255 468 F CB -0.310 37.783 39.000 -1.511 0.000 0.997 468 F HN 0.189 nan 8.300 nan 0.000 0.479 469 L N -0.061 120.907 121.223 -0.425 0.000 2.056 469 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 469 L C 2.513 179.209 176.870 -0.290 0.000 1.078 469 L CA 1.972 56.585 54.840 -0.378 0.000 0.749 469 L CB -1.098 40.884 42.059 -0.129 0.000 0.901 469 L HN 0.116 nan 8.230 nan 0.000 0.433 470 S N -1.417 114.188 115.700 -0.158 0.000 2.383 470 S HA -0.282 4.188 4.470 -0.000 0.000 0.229 470 S C 1.934 176.499 174.600 -0.059 0.000 1.030 470 S CA 1.515 59.669 58.200 -0.076 0.000 1.002 470 S CB -0.561 62.638 63.200 -0.002 0.000 0.829 470 S HN 0.690 nan 8.310 nan 0.000 0.467 471 H N 1.575 120.520 119.070 -0.208 0.000 2.333 471 H HA -0.003 4.553 4.556 -0.000 0.000 0.302 471 H C 2.052 177.260 175.328 -0.200 0.000 1.075 471 H CA 1.851 57.806 56.048 -0.154 0.000 1.348 471 H CB -0.548 29.159 29.762 -0.092 0.000 1.393 471 H HN 0.229 nan 8.280 nan 0.000 0.509 472 V N -0.964 118.613 119.914 -0.561 0.000 2.626 472 V HA -0.110 4.010 4.120 -0.000 0.000 0.252 472 V C 2.376 178.290 176.094 -0.300 0.000 1.067 472 V CA 1.804 63.796 62.300 -0.512 0.000 1.081 472 V CB -0.814 30.567 31.823 -0.737 0.000 0.686 472 V HN 0.390 nan 8.190 nan 0.000 0.468 473 I N 0.774 121.187 120.570 -0.260 0.000 2.286 473 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 473 I C 2.877 178.907 176.117 -0.146 0.000 1.104 473 I CA 1.771 62.968 61.300 -0.172 0.000 1.397 473 I CB -0.378 37.540 38.000 -0.138 0.000 1.072 473 I HN 0.396 nan 8.210 nan 0.000 0.417 474 S N 0.075 115.691 115.700 -0.139 0.000 2.345 474 S HA -0.164 4.306 4.470 -0.000 0.000 0.219 474 S C 1.921 176.426 174.600 -0.159 0.000 1.031 474 S CA 1.422 59.558 58.200 -0.106 0.000 0.984 474 S CB 0.002 63.180 63.200 -0.036 0.000 0.874 474 S HN 0.431 nan 8.310 nan 0.000 0.451 475 Q N -1.377 118.263 119.800 -0.266 0.000 2.317 475 Q HA 0.155 4.495 4.340 -0.000 0.000 0.220 475 Q C -0.102 175.489 176.000 -0.681 0.000 0.873 475 Q CA 0.281 55.824 55.803 -0.433 0.000 0.936 475 Q CB 0.498 28.941 28.738 -0.491 0.000 1.105 475 Q HN 0.645 nan 8.270 nan 0.000 0.520 476 H N -0.643 118.263 119.070 -0.272 0.000 2.587 476 H HA 0.116 4.672 4.556 -0.000 0.000 0.245 476 H C 0.794 176.013 175.328 -0.181 0.000 1.238 476 H CA -0.168 55.744 56.048 -0.227 0.000 0.963 476 H CB 0.741 30.336 29.762 -0.280 0.000 1.904 476 H HN -0.020 nan 8.280 nan 0.000 0.584 477 Q N 1.337 121.075 119.800 -0.103 0.000 2.152 477 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 477 Q C 2.143 178.106 176.000 -0.063 0.000 0.985 477 Q CA 1.882 57.633 55.803 -0.086 0.000 0.863 477 Q CB -0.075 28.609 28.738 -0.090 0.000 0.904 477 Q HN 0.629 nan 8.270 nan 0.000 0.422 478 A N -0.313 122.474 122.820 -0.055 0.000 2.014 478 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 478 A C 1.992 179.559 177.584 -0.029 0.000 1.163 478 A CA 0.876 52.890 52.037 -0.039 0.000 0.652 478 A CB -0.529 18.449 19.000 -0.037 0.000 0.808 478 A HN 0.474 nan 8.150 nan 0.000 0.449 479 L N -0.670 120.543 121.223 -0.017 0.000 2.109 479 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 479 L C 2.297 179.129 176.870 -0.063 0.000 1.086 479 L CA 1.225 56.043 54.840 -0.037 0.000 0.760 479 L CB -0.278 41.754 42.059 -0.047 0.000 0.910 479 L HN 0.413 nan 8.230 nan 0.000 0.437 480 L N -0.312 120.871 121.223 -0.066 0.000 2.072 480 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 480 L C 3.002 179.841 176.870 -0.052 0.000 1.079 480 L CA 1.245 56.042 54.840 -0.072 0.000 0.752 480 L CB -0.738 41.270 42.059 -0.085 0.000 0.906 480 L HN 0.353 nan 8.230 nan 0.000 0.436 481 S N -0.054 115.617 115.700 -0.047 0.000 2.399 481 S HA -0.231 4.239 4.470 -0.000 0.000 0.231 481 S C 2.174 176.757 174.600 -0.029 0.000 1.022 481 S CA 1.553 59.732 58.200 -0.036 0.000 0.983 481 S CB -0.232 nan 63.200 nan 0.000 0.803 481 S HN 0.255 nan 8.310 nan 0.000 0.480 482 K N 0.111 120.492 120.400 -0.032 0.000 2.076 482 K HA 0.165 4.485 4.320 -0.000 0.000 0.204 482 K C 1.802 178.387 176.600 -0.026 0.000 1.051 482 K CA 0.849 57.120 56.287 -0.027 0.000 0.949 482 K CB -0.226 32.258 32.500 -0.028 0.000 0.726 482 K HN 0.485 nan 8.250 nan 0.000 0.443 483 I N 0.744 121.293 120.570 -0.034 0.000 2.335 483 I HA -0.306 3.864 4.170 -0.000 0.000 0.251 483 I C 2.542 178.650 176.117 -0.016 0.000 1.129 483 I CA 1.083 62.366 61.300 -0.029 0.000 1.402 483 I CB -0.179 37.796 38.000 -0.043 0.000 1.069 483 I HN 0.175 nan 8.210 nan 0.000 0.424 484 R N 0.529 121.019 120.500 -0.015 0.000 2.055 484 R HA -0.128 4.212 4.340 -0.000 0.000 0.228 484 R C 2.318 178.615 176.300 -0.004 0.000 1.143 484 R CA 2.026 58.123 56.100 -0.005 0.000 0.945 484 R CB -0.483 29.815 30.300 -0.003 0.000 0.841 484 R HN 0.118 nan 8.270 nan 0.000 0.429 485 T N 1.255 115.804 114.554 -0.008 0.000 2.665 485 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 485 T C 1.037 175.733 174.700 -0.006 0.000 1.035 485 T CA 1.827 63.922 62.100 -0.007 0.000 1.151 485 T CB -0.363 68.499 68.868 -0.010 0.000 0.862 485 T HN 0.354 nan 8.240 nan 0.000 0.438 486 D N -0.145 120.251 120.400 -0.007 0.000 2.312 486 D HA 0.121 4.761 4.640 -0.000 0.000 0.211 486 D C 1.858 178.157 176.300 -0.002 0.000 0.964 486 D CA 0.995 54.992 54.000 -0.004 0.000 0.877 486 D CB -0.344 40.453 40.800 -0.005 0.000 0.924 486 D HN 0.545 nan 8.370 nan 0.000 0.515 487 G N 0.973 109.771 108.800 -0.002 0.000 2.304 487 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.252 487 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.252 487 G C 0.565 175.467 174.900 0.004 0.000 1.014 487 G CA 1.147 46.247 45.100 -0.000 0.000 0.619 487 G HN 0.563 nan 8.290 nan 0.000 0.525 488 K N -1.056 119.348 120.400 0.005 0.000 2.092 488 K HA 0.795 5.115 4.320 -0.000 0.000 0.252 488 K C -0.733 175.873 176.600 0.010 0.000 0.988 488 K CA -1.238 55.057 56.287 0.013 0.000 0.837 488 K CB 0.875 33.386 32.500 0.018 0.000 1.493 488 K HN 0.161 nan 8.250 nan 0.000 0.449 489 I N 2.964 123.548 120.570 0.024 0.000 2.307 489 I HA 0.131 4.301 4.170 -0.000 0.000 0.287 489 I C 0.110 176.244 176.117 0.028 0.000 1.054 489 I CA -0.548 60.763 61.300 0.019 0.000 1.218 489 I CB 1.289 39.318 38.000 0.048 0.000 1.398 489 I HN 0.690 nan 8.210 nan 0.000 0.475 490 S N 3.713 119.420 115.700 0.012 0.000 2.606 490 S HA 0.159 4.629 4.470 -0.000 0.000 0.257 490 S C 1.011 175.627 174.600 0.026 0.000 1.327 490 S CA -0.534 57.676 58.200 0.017 0.000 0.984 490 S CB 0.903 64.107 63.200 0.007 0.000 0.941 490 S HN 0.640 nan 8.310 nan 0.000 0.576 491 E N 0.330 120.546 120.200 0.028 0.000 2.160 491 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 491 E C 1.937 178.555 176.600 0.029 0.000 0.991 491 E CA 1.322 57.743 56.400 0.036 0.000 0.810 491 E CB -0.105 29.613 29.700 0.030 0.000 0.742 491 E HN 0.823 nan 8.360 nan 0.000 0.466 492 E N 0.256 120.465 120.200 0.015 0.000 2.072 492 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 492 E C 1.982 178.578 176.600 -0.007 0.000 0.982 492 E CA 0.818 57.222 56.400 0.007 0.000 0.803 492 E CB 0.192 29.893 29.700 0.003 0.000 0.755 492 E HN 0.014 nan 8.360 nan 0.000 0.453 493 S N 0.806 116.495 115.700 -0.019 0.000 2.406 493 S HA -0.137 4.333 4.470 -0.000 0.000 0.228 493 S C 1.466 176.015 174.600 -0.085 0.000 1.020 493 S CA 0.996 59.161 58.200 -0.058 0.000 0.965 493 S CB -0.172 62.990 63.200 -0.063 0.000 0.798 493 S HN 0.322 nan 8.310 nan 0.000 0.488 494 D N 1.807 122.198 120.400 -0.014 0.000 2.117 494 D HA -0.005 4.635 4.640 -0.000 0.000 0.198 494 D C 2.036 178.383 176.300 0.078 0.000 0.982 494 D CA 1.236 55.276 54.000 0.066 0.000 0.828 494 D CB -0.275 40.617 40.800 0.153 0.000 0.967 494 D HN 0.311 nan 8.370 nan 0.000 0.464 495 A N 0.746 123.596 122.820 0.050 0.000 1.902 495 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 495 A C 2.203 179.795 177.584 0.014 0.000 1.181 495 A CA 1.522 53.588 52.037 0.048 0.000 0.623 495 A CB -0.422 18.601 19.000 0.037 0.000 0.818 495 A HN 0.192 nan 8.150 nan 0.000 0.443 496 K N -0.582 119.802 120.400 -0.028 0.000 2.032 496 K HA -0.075 4.245 4.320 -0.000 0.000 0.209 496 K C 1.904 178.430 176.600 -0.123 0.000 1.048 496 K CA 1.522 57.768 56.287 -0.068 0.000 0.927 496 K CB -0.371 32.078 32.500 -0.086 0.000 0.712 496 K HN 0.457 nan 8.250 nan 0.000 0.441 497 L N 0.991 122.107 121.223 -0.178 0.000 2.056 497 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 497 L C 2.542 179.344 176.870 -0.114 0.000 1.078 497 L CA 1.241 55.928 54.840 -0.255 0.000 0.749 497 L CB -0.329 41.318 42.059 -0.686 0.000 0.901 497 L HN 0.170 nan 8.230 nan 0.000 0.433 498 K N -0.019 120.393 120.400 0.021 0.000 2.059 498 K HA -0.245 4.075 4.320 -0.000 0.000 0.212 498 K C 2.008 178.570 176.600 -0.063 0.000 1.050 498 K CA 1.789 58.091 56.287 0.024 0.000 0.927 498 K CB 0.066 32.671 32.500 0.175 0.000 0.714 498 K HN 0.201 nan 8.250 nan 0.000 0.447 499 E N 0.431 120.624 120.200 -0.011 0.000 2.107 499 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 499 E C 2.139 178.754 176.600 0.025 0.000 0.982 499 E CA 0.950 57.359 56.400 0.016 0.000 0.809 499 E CB -0.145 29.574 29.700 0.032 0.000 0.756 499 E HN 0.461 nan 8.360 nan 0.000 0.459 500 I N 0.608 121.167 120.570 -0.017 0.000 2.142 500 I HA -0.234 3.936 4.170 -0.000 0.000 0.240 500 I C 2.398 178.612 176.117 0.161 0.000 1.078 500 I CA 0.806 62.127 61.300 0.035 0.000 1.343 500 I CB -0.339 37.561 38.000 -0.166 0.000 1.046 500 I HN -0.079 nan 8.210 nan 0.000 0.405 501 V N 1.015 120.952 119.914 0.038 0.000 2.261 501 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 501 V C 2.741 178.866 176.094 0.050 0.000 1.047 501 V CA 2.583 64.876 62.300 -0.012 0.000 1.015 501 V CB -1.344 30.235 31.823 -0.407 0.000 0.642 501 V HN 0.649 nan 8.190 nan 0.000 0.446 502 T N -0.885 113.633 114.554 -0.060 0.000 2.622 502 T HA -0.264 4.086 4.350 -0.000 0.000 0.266 502 T C 1.768 176.552 174.700 0.140 0.000 1.047 502 T CA 1.880 64.017 62.100 0.062 0.000 1.159 502 T CB -0.650 68.266 68.868 0.080 0.000 0.863 502 T HN 0.408 nan 8.240 nan 0.000 0.422 503 N N 0.724 119.510 118.700 0.144 0.000 2.166 503 N HA -0.022 4.718 4.740 -0.000 0.000 0.186 503 N C 1.551 177.178 175.510 0.195 0.000 1.019 503 N CA 1.153 54.293 53.050 0.150 0.000 0.856 503 N CB -0.593 37.976 38.487 0.137 0.000 0.993 503 N HN 0.495 nan 8.380 nan 0.000 0.426 504 F N 1.565 121.600 119.950 0.142 0.000 2.102 504 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 504 F C 2.253 178.209 175.800 0.261 0.000 1.105 504 F CA 0.759 58.871 58.000 0.186 0.000 1.239 504 F CB -0.307 38.848 39.000 0.259 0.000 0.991 504 F HN -0.052 nan 8.300 nan 0.000 0.474 505 L N 0.701 122.224 121.223 0.500 0.000 2.046 505 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 505 L C 2.394 179.412 176.870 0.247 0.000 1.077 505 L CA 2.030 57.114 54.840 0.406 0.000 0.747 505 L CB -1.174 41.025 42.059 0.232 0.000 0.896 505 L HN 0.133 nan 8.230 nan 0.000 0.432 506 A N -0.368 122.549 122.820 0.163 0.000 1.933 506 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 506 A C 2.323 179.941 177.584 0.057 0.000 1.175 506 A CA 1.550 53.647 52.037 0.099 0.000 0.628 506 A CB -1.592 17.454 19.000 0.077 0.000 0.814 506 A HN 0.552 nan 8.150 nan 0.000 0.444 507 G N -1.665 107.143 108.800 0.013 0.000 2.408 507 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 507 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 507 G C 1.437 176.285 174.900 -0.086 0.000 1.150 507 G CA 1.006 46.057 45.100 -0.083 0.000 0.776 507 G HN 0.470 nan 8.290 nan 0.000 0.542 508 F N 1.411 121.250 119.950 -0.185 0.000 2.134 508 F HA 0.046 4.573 4.527 -0.000 0.000 0.299 508 F C 2.379 178.169 175.800 -0.017 0.000 1.097 508 F CA 1.449 59.392 58.000 -0.094 0.000 1.264 508 F CB 0.200 39.263 39.000 0.106 0.000 1.001 508 F HN 0.160 nan 8.300 nan 0.000 0.479 509 E N 0.758 121.053 120.200 0.160 0.000 2.445 509 E HA 0.175 4.525 4.350 -0.000 0.000 0.189 509 E C 0.790 177.385 176.600 -0.007 0.000 1.069 509 E CA 0.031 56.475 56.400 0.074 0.000 0.871 509 E CB -0.085 29.693 29.700 0.130 0.000 0.991 509 E HN 0.353 nan 8.360 nan 0.000 0.481 510 A N 0.000 122.793 122.820 -0.045 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 52.008 52.037 -0.049 0.000 0.836 510 A CB 0.000 18.963 19.000 -0.062 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486