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 1e1q_1_B 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 LAQYREVAXX XXXXXXLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLGKI 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 0.000 176.274 176.300 -0.043 0.000 2.045 24 D CA 0.000 53.984 54.000 -0.027 0.000 0.868 24 D CB 0.000 40.786 40.800 -0.023 0.000 0.688 25 L N 1.639 122.828 121.223 -0.057 0.000 2.549 25 L HA 0.035 4.375 4.340 -0.000 0.000 0.229 25 L C 1.773 178.594 176.870 -0.082 0.000 1.158 25 L CA 0.575 55.359 54.840 -0.093 0.000 0.842 25 L CB -0.048 41.935 42.059 -0.127 0.000 0.952 25 L HN 0.379 nan 8.230 nan 0.000 0.452 26 E N 0.267 120.433 120.200 -0.057 0.000 2.170 26 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 26 E C 1.258 177.830 176.600 -0.047 0.000 0.981 26 E CA 0.825 57.197 56.400 -0.048 0.000 0.830 26 E CB 0.256 29.935 29.700 -0.035 0.000 0.775 26 E HN 0.512 nan 8.360 nan 0.000 0.470 27 E N -0.028 120.145 120.200 -0.046 0.000 2.601 27 E HA 0.180 4.530 4.350 -0.000 0.000 0.219 27 E C 0.151 176.719 176.600 -0.054 0.000 0.964 27 E CA 0.127 56.501 56.400 -0.044 0.000 1.050 27 E CB 1.426 31.106 29.700 -0.034 0.000 1.068 27 E HN -0.064 nan 8.360 nan 0.000 0.496 28 T N -0.139 114.380 114.554 -0.059 0.000 2.901 28 T HA 0.722 5.072 4.350 -0.000 0.000 0.293 28 T C -0.345 174.311 174.700 -0.074 0.000 1.084 28 T CA -0.478 61.584 62.100 -0.063 0.000 1.008 28 T CB 2.331 71.172 68.868 -0.045 0.000 1.170 28 T HN 0.153 nan 8.240 nan 0.000 0.509 29 G N 0.606 109.365 108.800 -0.069 0.000 2.649 29 G HA2 0.692 4.652 3.960 -0.000 0.000 0.290 29 G HA3 0.692 4.652 3.960 -0.000 0.000 0.290 29 G C -1.886 173.008 174.900 -0.010 0.000 1.426 29 G CA -0.794 44.270 45.100 -0.059 0.000 0.794 29 G HN 0.608 nan 8.290 nan 0.000 0.483 30 R N -0.456 120.072 120.500 0.046 0.000 2.670 30 R HA 0.545 4.885 4.340 -0.000 0.000 0.289 30 R C -0.733 175.633 176.300 0.110 0.000 0.965 30 R CA -0.790 55.360 56.100 0.083 0.000 0.899 30 R CB 2.684 33.048 30.300 0.107 0.000 1.173 30 R HN 0.310 nan 8.270 nan 0.000 0.456 31 V N 5.003 124.980 119.914 0.105 0.000 2.485 31 V HA -0.023 4.097 4.120 -0.000 0.000 0.287 31 V C 1.455 177.596 176.094 0.078 0.000 1.022 31 V CA 0.497 62.864 62.300 0.112 0.000 1.067 31 V CB 0.647 32.551 31.823 0.135 0.000 0.967 31 V HN 0.736 nan 8.190 nan 0.000 0.479 32 L N 3.975 125.240 121.223 0.069 0.000 2.202 32 L HA 0.145 4.485 4.340 -0.000 0.000 0.205 32 L C 0.827 177.708 176.870 0.017 0.000 1.083 32 L CA 0.915 55.773 54.840 0.029 0.000 0.790 32 L CB 0.236 42.308 42.059 0.022 0.000 0.942 32 L HN 0.857 nan 8.230 nan 0.000 0.452 33 S N -0.972 114.743 115.700 0.026 0.000 2.556 33 S HA 0.493 4.963 4.470 -0.000 0.000 0.280 33 S C -1.186 173.421 174.600 0.012 0.000 1.141 33 S CA -0.864 57.343 58.200 0.012 0.000 0.883 33 S CB 1.993 65.194 63.200 0.001 0.000 1.103 33 S HN 0.015 nan 8.310 nan 0.000 0.453 34 I N 1.808 122.377 120.570 -0.001 0.000 2.498 34 I HA 0.941 5.111 4.170 -0.000 0.000 0.290 34 I C 0.070 176.171 176.117 -0.027 0.000 1.032 34 I CA 0.769 62.059 61.300 -0.016 0.000 1.073 34 I CB 1.278 39.260 38.000 -0.030 0.000 1.251 34 I HN 1.521 nan 8.210 nan 0.000 0.426 35 G N 4.347 113.126 108.800 -0.034 0.000 2.359 35 G HA2 0.156 4.116 3.960 -0.000 0.000 0.293 35 G HA3 0.156 4.116 3.960 -0.000 0.000 0.293 35 G C -0.756 174.121 174.900 -0.039 0.000 1.300 35 G CA -0.214 44.864 45.100 -0.036 0.000 0.888 35 G HN 0.682 nan 8.290 nan 0.000 0.541 36 D N -0.881 119.495 120.400 -0.039 0.000 3.018 36 D HA -0.254 4.386 4.640 -0.000 0.000 0.224 36 D C 1.752 178.019 176.300 -0.054 0.000 1.185 36 D CA 2.838 56.811 54.000 -0.044 0.000 0.858 36 D CB -1.088 39.688 40.800 -0.040 0.000 1.112 36 D HN 2.332 nan 8.370 nan 0.000 0.415 37 G N -0.566 108.200 108.800 -0.057 0.000 2.353 37 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.258 37 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.258 37 G C 0.372 175.226 174.900 -0.077 0.000 1.013 37 G CA 0.616 45.675 45.100 -0.069 0.000 0.622 37 G HN 0.474 nan 8.290 nan 0.000 0.535 38 I N 1.774 122.308 120.570 -0.061 0.000 2.359 38 I HA 0.629 4.799 4.170 -0.000 0.000 0.294 38 I C 0.812 176.916 176.117 -0.021 0.000 0.987 38 I CA -0.629 60.643 61.300 -0.047 0.000 1.225 38 I CB 1.228 39.203 38.000 -0.043 0.000 1.366 38 I HN 0.345 nan 8.210 nan 0.000 0.466 39 A N 8.026 130.852 122.820 0.009 0.000 2.289 39 A HA 0.516 4.836 4.320 -0.000 0.000 0.298 39 A C 0.108 177.734 177.584 0.070 0.000 1.208 39 A CA -0.649 51.423 52.037 0.059 0.000 0.845 39 A CB 0.364 19.456 19.000 0.154 0.000 1.125 39 A HN 0.580 nan 8.150 nan 0.000 0.517 40 R N 2.480 123.015 120.500 0.058 0.000 2.204 40 R HA 0.367 4.707 4.340 -0.000 0.000 0.341 40 R C -1.053 175.295 176.300 0.079 0.000 1.035 40 R CA -0.246 55.887 56.100 0.054 0.000 0.887 40 R CB 0.891 31.211 30.300 0.034 0.000 1.114 40 R HN 0.449 nan 8.270 nan 0.000 0.473 41 V N 3.575 123.537 119.914 0.079 0.000 2.435 41 V HA 0.113 4.233 4.120 -0.000 0.000 0.290 41 V C -0.032 176.124 176.094 0.103 0.000 1.030 41 V CA -0.863 61.487 62.300 0.083 0.000 0.881 41 V CB 1.361 33.206 31.823 0.037 0.000 0.983 41 V HN 0.613 nan 8.190 nan 0.000 0.445 42 H N 3.419 122.492 119.070 0.006 0.000 2.705 42 H HA 0.657 5.213 4.556 -0.000 0.000 0.291 42 H C 0.413 175.737 175.328 -0.007 0.000 1.085 42 H CA 1.001 57.049 56.048 0.001 0.000 1.357 42 H CB 0.534 30.298 29.762 0.004 0.000 1.419 42 H HN 0.985 nan 8.280 nan 0.000 0.462 43 G N 3.181 111.796 108.800 -0.309 0.000 2.348 43 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.199 43 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.199 43 G C -0.287 174.528 174.900 -0.141 0.000 1.235 43 G CA -0.457 44.472 45.100 -0.285 0.000 1.264 43 G HN 0.923 nan 8.290 nan 0.000 0.543 44 L N 0.173 121.329 121.223 -0.111 0.000 3.739 44 L HA -0.245 4.095 4.340 -0.000 0.000 0.442 44 L C 2.151 178.982 176.870 -0.065 0.000 1.241 44 L CA 0.985 55.777 54.840 -0.079 0.000 0.819 44 L CB -0.896 41.119 42.059 -0.072 0.000 1.679 44 L HN 0.650 nan 8.230 nan 0.000 0.889 45 R N -0.064 120.394 120.500 -0.070 0.000 2.127 45 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 45 R C 1.457 177.735 176.300 -0.037 0.000 1.134 45 R CA 1.619 57.687 56.100 -0.053 0.000 0.975 45 R CB -0.190 30.078 30.300 -0.054 0.000 0.865 45 R HN 0.539 nan 8.270 nan 0.000 0.447 46 N N 0.653 119.331 118.700 -0.036 0.000 2.270 46 N HA 0.011 4.751 4.740 -0.000 0.000 0.198 46 N C 0.079 175.576 175.510 -0.023 0.000 1.117 46 N CA 0.147 53.182 53.050 -0.026 0.000 0.845 46 N CB 0.474 38.946 38.487 -0.024 0.000 0.980 46 N HN 0.037 nan 8.380 nan 0.000 0.486 47 V N -0.488 119.410 119.914 -0.027 0.000 2.999 47 V HA 0.082 4.202 4.120 -0.000 0.000 0.307 47 V C 0.337 176.425 176.094 -0.010 0.000 1.084 47 V CA -0.485 61.802 62.300 -0.021 0.000 1.155 47 V CB 0.512 32.321 31.823 -0.024 0.000 0.975 47 V HN 0.064 nan 8.190 nan 0.000 0.490 48 Q N 1.997 121.795 119.800 -0.003 0.000 2.226 48 Q HA 0.701 5.041 4.340 -0.000 0.000 0.256 48 Q C 0.003 176.010 176.000 0.011 0.000 0.962 48 Q CA -0.578 55.227 55.803 0.004 0.000 0.887 48 Q CB 1.795 30.538 28.738 0.007 0.000 1.282 48 Q HN 1.131 nan 8.270 nan 0.000 0.449 49 A N 1.937 124.766 122.820 0.015 0.000 2.524 49 A HA 0.056 4.376 4.320 -0.000 0.000 0.250 49 A C 0.128 177.731 177.584 0.032 0.000 1.078 49 A CA 0.320 52.371 52.037 0.024 0.000 0.761 49 A CB -0.308 18.707 19.000 0.024 0.000 1.012 49 A HN 0.957 nan 8.150 nan 0.000 0.500 50 E N -0.395 119.831 120.200 0.044 0.000 3.303 50 E HA -0.176 4.174 4.350 -0.000 0.000 0.302 50 E C 0.035 176.672 176.600 0.062 0.000 0.902 50 E CA 1.110 57.547 56.400 0.061 0.000 1.042 50 E CB -1.415 28.315 29.700 0.050 0.000 1.528 50 E HN 0.927 nan 8.360 nan 0.000 0.424 51 E N 0.707 120.936 120.200 0.049 0.000 2.266 51 E HA 0.338 4.688 4.350 -0.000 0.000 0.277 51 E C -0.168 176.469 176.600 0.062 0.000 1.018 51 E CA -0.688 55.738 56.400 0.043 0.000 0.840 51 E CB 0.779 30.491 29.700 0.019 0.000 1.082 51 E HN -0.030 nan 8.360 nan 0.000 0.395 52 M N 4.479 124.121 119.600 0.071 0.000 2.233 52 M HA 0.179 4.659 4.480 -0.000 0.000 0.350 52 M C -1.001 175.322 176.300 0.039 0.000 1.176 52 M CA -0.358 55.001 55.300 0.099 0.000 1.150 52 M CB 1.043 33.703 32.600 0.099 0.000 1.530 52 M HN 0.357 nan 8.290 nan 0.000 0.459 53 V N 1.554 121.479 119.914 0.018 0.000 3.040 53 V HA 0.754 4.874 4.120 -0.000 0.000 0.312 53 V C -0.965 175.058 176.094 -0.119 0.000 1.115 53 V CA -0.834 61.408 62.300 -0.096 0.000 0.998 53 V CB 2.224 33.923 31.823 -0.207 0.000 1.042 53 V HN 0.826 nan 8.190 nan 0.000 0.433 54 E N 1.754 121.848 120.200 -0.176 0.000 2.199 54 E HA 0.576 4.926 4.350 -0.000 0.000 0.269 54 E C -1.711 174.769 176.600 -0.199 0.000 0.899 54 E CA -0.413 55.937 56.400 -0.084 0.000 0.772 54 E CB 2.459 32.157 29.700 -0.004 0.000 1.155 54 E HN 0.639 nan 8.360 nan 0.000 0.408 55 F N 0.665 120.634 119.950 0.031 0.000 2.399 55 F HA 0.116 4.643 4.527 -0.000 0.000 0.328 55 F C 1.798 177.611 175.800 0.022 0.000 1.084 55 F CA -0.281 57.734 58.000 0.024 0.000 1.053 55 F CB 1.390 40.404 39.000 0.023 0.000 1.209 55 F HN 0.446 nan 8.300 nan 0.000 0.502 56 S N 0.337 116.154 115.700 0.194 0.000 2.399 56 S HA -0.260 4.210 4.470 -0.000 0.000 0.235 56 S C 1.726 176.394 174.600 0.114 0.000 1.063 56 S CA 1.980 60.251 58.200 0.118 0.000 1.070 56 S CB -0.647 62.612 63.200 0.099 0.000 0.904 56 S HN 0.707 nan 8.310 nan 0.000 0.456 57 S N 0.445 116.228 115.700 0.138 0.000 2.803 57 S HA 0.432 4.902 4.470 -0.000 0.000 0.228 57 S C 1.435 176.092 174.600 0.094 0.000 0.953 57 S CA 0.468 58.722 58.200 0.091 0.000 0.983 57 S CB -0.386 62.847 63.200 0.055 0.000 0.784 57 S HN 0.848 nan 8.310 nan 0.000 0.498 58 G N 0.261 109.130 108.800 0.114 0.000 2.245 58 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.264 58 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.264 58 G C -0.015 174.966 174.900 0.135 0.000 0.985 58 G CA 0.326 45.487 45.100 0.103 0.000 0.625 58 G HN 0.552 nan 8.290 nan 0.000 0.536 59 L N 1.427 122.750 121.223 0.166 0.000 2.453 59 L HA 0.471 4.811 4.340 -0.000 0.000 0.272 59 L C 0.866 177.955 176.870 0.365 0.000 1.182 59 L CA 0.293 55.243 54.840 0.183 0.000 0.858 59 L CB 0.661 42.746 42.059 0.043 0.000 1.120 59 L HN 0.265 nan 8.230 nan 0.000 0.474 60 K N 2.223 122.818 120.400 0.324 0.000 2.123 60 K HA 0.774 5.094 4.320 -0.000 0.000 0.248 60 K C -0.079 176.813 176.600 0.487 0.000 0.969 60 K CA -0.629 55.888 56.287 0.383 0.000 0.882 60 K CB 1.596 34.272 32.500 0.294 0.000 1.080 60 K HN 0.781 nan 8.250 nan 0.000 0.441 61 G N 0.481 109.550 108.800 0.450 0.000 2.866 61 G HA2 0.646 4.606 3.960 -0.000 0.000 0.289 61 G HA3 0.646 4.606 3.960 -0.000 0.000 0.289 61 G C -1.695 173.328 174.900 0.205 0.000 1.396 61 G CA -0.668 44.620 45.100 0.314 0.000 0.848 61 G HN 0.464 nan 8.290 nan 0.000 0.515 62 M N 0.953 120.578 119.600 0.041 0.000 2.267 62 M HA 0.401 4.881 4.480 -0.000 0.000 0.289 62 M C -0.821 175.503 176.300 0.039 0.000 1.043 62 M CA -0.553 54.807 55.300 0.100 0.000 0.928 62 M CB 2.012 34.712 32.600 0.167 0.000 1.613 62 M HN 0.385 nan 8.290 nan 0.000 0.450 63 S N 4.835 120.561 115.700 0.044 0.000 2.437 63 S HA 0.097 4.567 4.470 -0.000 0.000 0.304 63 S C 0.579 175.197 174.600 0.030 0.000 1.167 63 S CA -0.472 57.742 58.200 0.023 0.000 1.106 63 S CB 0.279 63.486 63.200 0.012 0.000 1.099 63 S HN 0.686 nan 8.310 nan 0.000 0.524 64 L N 4.398 125.633 121.223 0.021 0.000 2.189 64 L HA 0.333 4.673 4.340 -0.000 0.000 0.199 64 L C 0.047 176.930 176.870 0.022 0.000 1.074 64 L CA 1.388 56.243 54.840 0.025 0.000 0.783 64 L CB -0.088 41.977 42.059 0.010 0.000 0.955 64 L HN 0.465 nan 8.230 nan 0.000 0.460 65 N N 0.619 119.327 118.700 0.013 0.000 2.476 65 N HA 0.397 5.137 4.740 -0.000 0.000 0.257 65 N C -1.331 174.187 175.510 0.012 0.000 0.970 65 N CA -0.278 52.780 53.050 0.013 0.000 0.938 65 N CB 1.176 39.667 38.487 0.007 0.000 1.144 65 N HN 0.109 nan 8.380 nan 0.000 0.500 66 L N 2.549 123.780 121.223 0.012 0.000 2.312 66 L HA 0.280 4.620 4.340 -0.000 0.000 0.287 66 L C 0.250 177.126 176.870 0.010 0.000 1.091 66 L CA 0.066 54.912 54.840 0.009 0.000 0.846 66 L CB 0.141 42.204 42.059 0.008 0.000 1.219 66 L HN 0.488 nan 8.230 nan 0.000 0.439 67 E N 3.993 124.200 120.200 0.011 0.000 2.235 67 E HA 0.298 4.648 4.350 -0.000 0.000 0.265 67 E C -1.623 174.986 176.600 0.015 0.000 0.940 67 E CA -1.804 54.604 56.400 0.013 0.000 0.819 67 E CB 1.673 31.383 29.700 0.016 0.000 1.206 67 E HN 0.286 nan 8.360 nan 0.000 0.409 68 P HA -0.169 nan 4.420 nan 0.000 0.221 68 P C 0.226 177.542 177.300 0.027 0.000 1.145 68 P CA 1.367 64.476 63.100 0.016 0.000 0.795 68 P CB 0.189 31.898 31.700 0.014 0.000 0.775 69 D N -2.325 118.098 120.400 0.038 0.000 2.520 69 D HA 0.060 4.700 4.640 -0.000 0.000 0.223 69 D C -0.015 176.347 176.300 0.104 0.000 1.186 69 D CA -0.188 53.854 54.000 0.071 0.000 0.821 69 D CB -0.371 40.465 40.800 0.059 0.000 1.072 69 D HN 0.317 nan 8.370 nan 0.000 0.518 70 N N -1.350 117.390 118.700 0.067 0.000 3.185 70 N HA 0.400 5.140 4.740 -0.000 0.000 0.238 70 N C -1.987 173.544 175.510 0.034 0.000 1.451 70 N CA -0.911 52.180 53.050 0.069 0.000 0.888 70 N CB 1.649 40.175 38.487 0.066 0.000 1.413 70 N HN -0.195 nan 8.380 nan 0.000 0.511 71 V N -0.414 119.518 119.914 0.030 0.000 2.540 71 V HA 0.841 4.961 4.120 -0.000 0.000 0.302 71 V C 0.372 176.481 176.094 0.025 0.000 1.035 71 V CA -0.587 61.724 62.300 0.017 0.000 0.873 71 V CB 1.451 33.275 31.823 0.001 0.000 0.992 71 V HN 0.912 nan 8.190 nan 0.000 0.428 72 G N 2.903 111.715 108.800 0.019 0.000 2.335 72 G HA2 0.584 4.544 3.960 -0.000 0.000 0.316 72 G HA3 0.584 4.544 3.960 -0.000 0.000 0.316 72 G C -0.948 173.963 174.900 0.018 0.000 1.129 72 G CA -0.359 44.752 45.100 0.019 0.000 0.899 72 G HN 0.544 nan 8.290 nan 0.000 0.448 73 V N 3.233 123.171 119.914 0.040 0.000 2.448 73 V HA 0.256 4.376 4.120 -0.000 0.000 0.295 73 V C 0.227 176.317 176.094 -0.006 0.000 1.025 73 V CA -0.775 61.554 62.300 0.049 0.000 0.859 73 V CB 1.753 33.674 31.823 0.162 0.000 0.988 73 V HN 0.532 nan 8.190 nan 0.000 0.431 74 V N 5.927 125.779 119.914 -0.103 0.000 2.470 74 V HA 0.166 4.286 4.120 -0.000 0.000 0.276 74 V C 0.215 176.090 176.094 -0.365 0.000 1.040 74 V CA -0.158 61.998 62.300 -0.241 0.000 1.008 74 V CB 1.500 33.141 31.823 -0.304 0.000 0.990 74 V HN 0.627 nan 8.190 nan 0.000 0.477 75 V N 6.570 126.316 119.914 -0.280 0.000 2.385 75 V HA 0.260 4.380 4.120 -0.000 0.000 0.269 75 V C 0.195 176.168 176.094 -0.202 0.000 1.043 75 V CA -0.265 61.897 62.300 -0.229 0.000 0.906 75 V CB 0.768 32.445 31.823 -0.243 0.000 0.995 75 V HN 0.717 nan 8.190 nan 0.000 0.467 76 F N 4.508 124.509 119.950 0.085 0.000 2.913 76 F HA 0.580 5.107 4.527 -0.000 0.000 0.306 76 F C 1.184 177.015 175.800 0.052 0.000 1.205 76 F CA 0.164 58.215 58.000 0.086 0.000 1.359 76 F CB -0.093 38.971 39.000 0.106 0.000 1.260 76 F HN 0.692 nan 8.300 nan 0.000 0.545 77 G N -0.361 108.521 108.800 0.136 0.000 2.364 77 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.286 77 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.286 77 G C -1.254 173.648 174.900 0.004 0.000 1.241 77 G CA -1.022 44.124 45.100 0.075 0.000 0.887 77 G HN -0.114 nan 8.290 nan 0.000 0.484 78 N N 2.189 120.883 118.700 -0.011 0.000 2.434 78 N HA 0.080 4.820 4.740 -0.000 0.000 0.273 78 N C 1.178 176.637 175.510 -0.085 0.000 1.210 78 N CA 0.370 53.399 53.050 -0.034 0.000 0.992 78 N CB 0.605 39.081 38.487 -0.019 0.000 1.355 78 N HN 0.606 nan 8.380 nan 0.000 0.495 79 D N 2.793 123.127 120.400 -0.111 0.000 2.354 79 D HA -0.246 4.394 4.640 -0.000 0.000 0.216 79 D C 1.134 177.360 176.300 -0.123 0.000 0.970 79 D CA 0.914 54.814 54.000 -0.166 0.000 0.905 79 D CB 0.127 40.834 40.800 -0.154 0.000 0.903 79 D HN 0.620 nan 8.370 nan 0.000 0.508 80 K N 0.860 121.213 120.400 -0.079 0.000 2.280 80 K HA -0.079 4.241 4.320 -0.000 0.000 0.202 80 K C 2.080 178.645 176.600 -0.059 0.000 1.047 80 K CA 0.700 56.953 56.287 -0.057 0.000 0.942 80 K CB -0.459 32.020 32.500 -0.037 0.000 0.739 80 K HN 0.169 nan 8.250 nan 0.000 0.457 81 L N 1.277 122.456 121.223 -0.074 0.000 2.650 81 L HA 0.200 4.540 4.340 -0.000 0.000 0.235 81 L C 0.495 177.317 176.870 -0.080 0.000 1.149 81 L CA 0.086 54.888 54.840 -0.063 0.000 0.887 81 L CB -0.273 41.753 42.059 -0.055 0.000 1.021 81 L HN 0.213 nan 8.230 nan 0.000 0.441 82 I N -0.455 120.049 120.570 -0.109 0.000 2.603 82 I HA 0.322 4.492 4.170 -0.000 0.000 0.300 82 I C -0.175 175.918 176.117 -0.039 0.000 1.017 82 I CA -0.589 60.648 61.300 -0.104 0.000 1.098 82 I CB 1.969 39.822 38.000 -0.245 0.000 1.279 82 I HN -0.022 nan 8.210 nan 0.000 0.437 83 K N 3.380 123.784 120.400 0.007 0.000 2.444 83 K HA 0.355 4.675 4.320 -0.000 0.000 0.252 83 K C -0.910 175.712 176.600 0.036 0.000 0.993 83 K CA -0.955 55.341 56.287 0.015 0.000 0.847 83 K CB 2.240 34.749 32.500 0.015 0.000 1.340 83 K HN 0.505 nan 8.250 nan 0.000 0.446 84 E N 0.055 120.270 120.200 0.025 0.000 2.502 84 E HA -0.044 4.306 4.350 -0.000 0.000 0.261 84 E C 0.613 177.236 176.600 0.038 0.000 0.974 84 E CA 1.553 57.971 56.400 0.031 0.000 0.936 84 E CB 0.139 29.848 29.700 0.015 0.000 0.926 84 E HN 0.762 nan 8.360 nan 0.000 0.459 85 G N 3.829 112.659 108.800 0.049 0.000 2.241 85 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.244 85 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.244 85 G C -0.144 174.793 174.900 0.061 0.000 0.998 85 G CA 0.135 45.265 45.100 0.049 0.000 0.621 85 G HN 0.659 nan 8.290 nan 0.000 0.519 86 D N 0.643 121.091 120.400 0.080 0.000 2.449 86 D HA 0.406 5.046 4.640 -0.000 0.000 0.236 86 D C 0.810 177.166 176.300 0.094 0.000 1.149 86 D CA 0.117 54.178 54.000 0.101 0.000 0.878 86 D CB 0.599 41.489 40.800 0.150 0.000 1.198 86 D HN 0.231 nan 8.370 nan 0.000 0.446 87 I N 1.288 121.901 120.570 0.071 0.000 2.428 87 I HA 0.140 4.310 4.170 -0.000 0.000 0.289 87 I C -0.102 176.005 176.117 -0.017 0.000 1.019 87 I CA -0.260 61.056 61.300 0.026 0.000 1.351 87 I CB 1.260 39.270 38.000 0.016 0.000 1.412 87 I HN 0.005 nan 8.210 nan 0.000 0.513 88 V N 6.514 126.376 119.914 -0.087 0.000 2.443 88 V HA 0.429 4.549 4.120 -0.000 0.000 0.293 88 V C -0.191 175.794 176.094 -0.182 0.000 1.021 88 V CA -1.005 61.149 62.300 -0.243 0.000 0.848 88 V CB 1.389 33.009 31.823 -0.338 0.000 0.998 88 V HN 0.576 nan 8.190 nan 0.000 0.424 89 K N 4.012 124.307 120.400 -0.175 0.000 2.164 89 K HA 0.639 4.959 4.320 -0.000 0.000 0.258 89 K C -0.245 176.289 176.600 -0.111 0.000 0.951 89 K CA -0.849 55.372 56.287 -0.110 0.000 0.844 89 K CB 2.333 34.793 32.500 -0.067 0.000 1.099 89 K HN 0.575 nan 8.250 nan 0.000 0.435 90 R N 0.276 120.728 120.500 -0.079 0.000 2.641 90 R HA 0.029 4.369 4.340 -0.000 0.000 0.269 90 R C 1.278 177.555 176.300 -0.037 0.000 1.074 90 R CA 0.115 56.180 56.100 -0.058 0.000 1.133 90 R CB 0.396 30.670 30.300 -0.043 0.000 1.029 90 R HN 0.762 nan 8.270 nan 0.000 0.488 91 T N -2.247 112.293 114.554 -0.022 0.000 2.985 91 T HA 0.163 4.513 4.350 -0.000 0.000 0.254 91 T C 1.351 176.048 174.700 -0.006 0.000 1.021 91 T CA 0.346 62.441 62.100 -0.009 0.000 0.957 91 T CB 0.463 69.334 68.868 0.004 0.000 1.047 91 T HN 0.816 nan 8.240 nan 0.000 0.511 92 G N 1.412 110.208 108.800 -0.007 0.000 2.189 92 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.267 92 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.267 92 G C 0.261 175.161 174.900 0.001 0.000 0.975 92 G CA 0.080 45.177 45.100 -0.005 0.000 0.644 92 G HN 1.349 nan 8.290 nan 0.000 0.537 93 A N 0.462 123.286 122.820 0.006 0.000 2.317 93 A HA 0.753 5.073 4.320 -0.000 0.000 0.327 93 A C 0.292 177.887 177.584 0.018 0.000 1.178 93 A CA -0.709 51.334 52.037 0.010 0.000 0.817 93 A CB 0.822 19.826 19.000 0.008 0.000 1.189 93 A HN 0.459 nan 8.150 nan 0.000 0.489 94 I N 2.472 123.052 120.570 0.017 0.000 2.556 94 I HA 0.027 4.197 4.170 -0.000 0.000 0.284 94 I C 0.702 176.834 176.117 0.025 0.000 1.114 94 I CA -0.024 61.290 61.300 0.023 0.000 1.418 94 I CB 0.613 38.623 38.000 0.016 0.000 1.394 94 I HN 0.406 nan 8.210 nan 0.000 0.552 95 V N 7.538 127.478 119.914 0.044 0.000 2.800 95 V HA -0.148 3.972 4.120 -0.000 0.000 0.299 95 V C 0.258 176.349 176.094 -0.005 0.000 1.151 95 V CA 0.657 62.977 62.300 0.033 0.000 1.297 95 V CB -0.893 30.968 31.823 0.064 0.000 0.835 95 V HN 0.932 nan 8.190 nan 0.000 0.484 96 D N 3.569 123.957 120.400 -0.020 0.000 2.596 96 D HA 0.723 5.363 4.640 -0.000 0.000 0.262 96 D C -0.665 175.609 176.300 -0.043 0.000 1.210 96 D CA -0.511 53.472 54.000 -0.027 0.000 0.873 96 D CB 2.114 42.904 40.800 -0.016 0.000 1.408 96 D HN 0.557 nan 8.370 nan 0.000 0.441 97 V N -5.086 114.804 119.914 -0.040 0.000 3.130 97 V HA 0.752 4.872 4.120 -0.000 0.000 0.310 97 V C -2.965 173.101 176.094 -0.047 0.000 1.158 97 V CA -2.477 59.795 62.300 -0.047 0.000 1.029 97 V CB 1.683 33.475 31.823 -0.052 0.000 1.057 97 V HN 0.428 nan 8.190 nan 0.000 0.436 98 P HA 0.366 nan 4.420 nan 0.000 0.266 98 P C -0.755 176.488 177.300 -0.095 0.000 1.195 98 P CA 0.233 63.292 63.100 -0.068 0.000 0.768 98 P CB 0.818 32.482 31.700 -0.060 0.000 0.838 99 V N 1.932 121.759 119.914 -0.146 0.000 3.049 99 V HA 0.905 5.025 4.120 -0.000 0.000 0.309 99 V C 0.306 176.120 176.094 -0.466 0.000 1.148 99 V CA 0.164 62.319 62.300 -0.242 0.000 0.990 99 V CB 2.080 33.801 31.823 -0.170 0.000 1.039 99 V HN 0.961 nan 8.190 nan 0.000 0.430 100 G N 1.788 110.090 108.800 -0.830 0.000 2.353 100 G HA2 0.034 3.994 3.960 -0.000 0.000 0.424 100 G HA3 0.034 3.994 3.960 -0.000 0.000 0.424 100 G C -0.059 174.405 174.900 -0.727 0.000 1.320 100 G CA -0.084 44.259 45.100 -1.262 0.000 0.995 100 G HN 0.625 nan 8.290 nan 0.000 0.580 101 E N 0.345 120.238 120.200 -0.511 0.000 2.333 101 E HA -0.118 4.232 4.350 -0.000 0.000 0.198 101 E C 1.791 178.369 176.600 -0.037 0.000 1.007 101 E CA 1.214 57.555 56.400 -0.099 0.000 0.845 101 E CB 0.041 29.753 29.700 0.019 0.000 0.766 101 E HN 0.615 nan 8.360 nan 0.000 0.507 102 E N 0.675 120.818 120.200 -0.096 0.000 2.526 102 E HA -0.112 4.238 4.350 -0.000 0.000 0.198 102 E C 1.258 177.839 176.600 -0.032 0.000 1.091 102 E CA 0.443 56.815 56.400 -0.047 0.000 0.880 102 E CB -0.027 29.639 29.700 -0.058 0.000 0.873 102 E HN 0.252 nan 8.360 nan 0.000 0.527 103 L N 0.237 121.444 121.223 -0.027 0.000 2.554 103 L HA 0.198 4.538 4.340 -0.000 0.000 0.225 103 L C 1.041 177.934 176.870 0.037 0.000 1.104 103 L CA 0.122 54.961 54.840 -0.003 0.000 0.866 103 L CB -0.327 41.725 42.059 -0.012 0.000 1.047 103 L HN 0.031 nan 8.230 nan 0.000 0.468 104 L N 0.309 121.576 121.223 0.073 0.000 2.543 104 L HA 0.168 4.508 4.340 -0.000 0.000 0.285 104 L C 1.638 178.536 176.870 0.048 0.000 1.236 104 L CA 0.872 55.770 54.840 0.096 0.000 0.871 104 L CB -0.292 41.863 42.059 0.161 0.000 1.121 104 L HN 0.481 nan 8.230 nan 0.000 0.501 105 G N 1.296 110.109 108.800 0.021 0.000 2.196 105 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.268 105 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.268 105 G C 0.479 175.373 174.900 -0.009 0.000 0.975 105 G CA 0.071 45.164 45.100 -0.013 0.000 0.648 105 G HN 0.495 nan 8.290 nan 0.000 0.538 106 R N -0.602 119.900 120.500 0.003 0.000 2.691 106 R HA 0.697 5.037 4.340 -0.000 0.000 0.259 106 R C -0.197 176.106 176.300 0.004 0.000 1.048 106 R CA -0.745 55.355 56.100 0.001 0.000 1.086 106 R CB 1.265 31.566 30.300 0.002 0.000 1.166 106 R HN 0.264 nan 8.270 nan 0.000 0.526 107 V N 2.036 121.952 119.914 0.004 0.000 2.349 107 V HA 0.333 4.453 4.120 -0.000 0.000 0.284 107 V C 0.094 176.195 176.094 0.011 0.000 1.014 107 V CA -0.793 61.513 62.300 0.010 0.000 0.826 107 V CB 1.267 33.095 31.823 0.008 0.000 1.009 107 V HN 0.582 nan 8.190 nan 0.000 0.431 108 V N 1.129 121.052 119.914 0.014 0.000 3.019 108 V HA 0.852 4.972 4.120 -0.000 0.000 0.317 108 V C -0.269 175.832 176.094 0.012 0.000 1.094 108 V CA -0.782 61.523 62.300 0.008 0.000 1.000 108 V CB 2.156 33.979 31.823 0.000 0.000 1.060 108 V HN 0.748 nan 8.190 nan 0.000 0.443 109 D N 1.666 122.071 120.400 0.008 0.000 2.478 109 D HA 0.520 5.160 4.640 -0.000 0.000 0.274 109 D C 1.166 177.462 176.300 -0.007 0.000 1.234 109 D CA -0.006 54.000 54.000 0.010 0.000 1.069 109 D CB 1.105 41.916 40.800 0.018 0.000 1.113 109 D HN 0.789 nan 8.370 nan 0.000 0.571 110 A N -0.684 122.129 122.820 -0.012 0.000 2.019 110 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 110 A C 2.298 179.825 177.584 -0.095 0.000 1.164 110 A CA 0.971 52.979 52.037 -0.049 0.000 0.644 110 A CB -0.901 18.072 19.000 -0.045 0.000 0.805 110 A HN 0.535 nan 8.150 nan 0.000 0.449 111 L N -1.789 119.382 121.223 -0.086 0.000 2.492 111 L HA 0.166 4.506 4.340 -0.000 0.000 0.223 111 L C 1.846 178.680 176.870 -0.060 0.000 1.132 111 L CA 0.674 55.455 54.840 -0.099 0.000 0.850 111 L CB -0.107 41.916 42.059 -0.059 0.000 0.966 111 L HN 0.576 nan 8.230 nan 0.000 0.454 112 G N -0.776 108.000 108.800 -0.040 0.000 2.195 112 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.224 112 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.224 112 G C 0.086 174.975 174.900 -0.019 0.000 0.990 112 G CA -0.353 44.729 45.100 -0.030 0.000 0.639 112 G HN 0.351 nan 8.290 nan 0.000 0.514 113 N N 1.515 120.208 118.700 -0.011 0.000 2.454 113 N HA 0.436 5.176 4.740 -0.000 0.000 0.260 113 N C 0.602 176.112 175.510 -0.000 0.000 1.218 113 N CA 0.815 53.864 53.050 -0.002 0.000 0.904 113 N CB 1.108 39.599 38.487 0.007 0.000 1.065 113 N HN 0.803 nan 8.380 nan 0.000 0.462 114 A N 1.901 124.720 122.820 -0.001 0.000 2.425 114 A HA 0.355 4.675 4.320 -0.000 0.000 0.249 114 A C 1.192 178.779 177.584 0.005 0.000 1.084 114 A CA -0.433 51.605 52.037 0.001 0.000 0.781 114 A CB -0.257 18.741 19.000 -0.002 0.000 1.019 114 A HN 0.821 nan 8.150 nan 0.000 0.490 115 I N -1.363 119.211 120.570 0.007 0.000 4.225 115 I HA 0.245 4.415 4.170 -0.000 0.000 0.327 115 I C 0.166 176.287 176.117 0.007 0.000 1.422 115 I CA -0.126 61.180 61.300 0.009 0.000 1.150 115 I CB 0.560 38.569 38.000 0.014 0.000 1.192 115 I HN 0.401 nan 8.210 nan 0.000 0.440 116 D N 1.286 121.688 120.400 0.003 0.000 2.325 116 D HA 0.184 4.824 4.640 -0.000 0.000 0.234 116 D C 1.755 178.055 176.300 -0.002 0.000 1.122 116 D CA 0.469 54.469 54.000 -0.001 0.000 0.850 116 D CB 0.015 40.812 40.800 -0.005 0.000 0.921 116 D HN 0.458 nan 8.370 nan 0.000 0.513 117 G N 1.039 109.839 108.800 0.000 0.000 2.270 117 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.268 117 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.268 117 G C 0.718 175.617 174.900 -0.002 0.000 0.982 117 G CA 0.450 45.550 45.100 -0.000 0.000 0.628 117 G HN 0.485 nan 8.290 nan 0.000 0.544 118 K N 1.539 121.937 120.400 -0.003 0.000 3.165 118 K HA 0.432 4.752 4.320 -0.000 0.000 0.270 118 K C 1.499 178.097 176.600 -0.003 0.000 1.111 118 K CA 0.250 56.535 56.287 -0.004 0.000 1.216 118 K CB -0.350 32.147 32.500 -0.005 0.000 1.229 118 K HN 1.229 nan 8.250 nan 0.000 0.435 119 G N 2.428 111.227 108.800 -0.002 0.000 2.692 119 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.248 119 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.248 119 G C -2.452 172.446 174.900 -0.003 0.000 1.340 119 G CA -1.043 44.056 45.100 -0.002 0.000 0.896 119 G HN 0.234 nan 8.290 nan 0.000 0.570 120 P HA 0.513 nan 4.420 nan 0.000 0.274 120 P C 0.083 177.377 177.300 -0.011 0.000 1.246 120 P CA -0.560 62.536 63.100 -0.007 0.000 0.795 120 P CB 0.433 32.129 31.700 -0.007 0.000 1.006 121 I N 0.511 121.072 120.570 -0.016 0.000 2.359 121 I HA 0.243 4.413 4.170 -0.000 0.000 0.294 121 I C 1.377 177.476 176.117 -0.028 0.000 0.987 121 I CA -0.289 60.997 61.300 -0.023 0.000 1.225 121 I CB 0.596 38.578 38.000 -0.030 0.000 1.366 121 I HN 0.473 nan 8.210 nan 0.000 0.466 122 G N 3.897 112.679 108.800 -0.031 0.000 3.574 122 G HA2 0.064 4.024 3.960 -0.000 0.000 0.262 122 G HA3 0.064 4.024 3.960 -0.000 0.000 0.262 122 G C 0.511 175.381 174.900 -0.049 0.000 1.231 122 G CA -0.122 44.959 45.100 -0.032 0.000 1.608 122 G HN 0.560 nan 8.290 nan 0.000 0.628 123 S N -0.473 115.191 115.700 -0.060 0.000 2.549 123 S HA 0.187 4.657 4.470 -0.000 0.000 0.283 123 S C 1.303 175.861 174.600 -0.070 0.000 1.320 123 S CA -0.078 58.070 58.200 -0.087 0.000 1.058 123 S CB 0.857 63.998 63.200 -0.098 0.000 0.882 123 S HN 0.475 nan 8.310 nan 0.000 0.498 124 K N 2.219 122.572 120.400 -0.078 0.000 2.353 124 K HA 0.382 4.702 4.320 -0.000 0.000 0.195 124 K C 0.060 176.629 176.600 -0.052 0.000 1.031 124 K CA 0.107 56.362 56.287 -0.053 0.000 1.079 124 K CB 0.758 33.233 32.500 -0.042 0.000 0.857 124 K HN 0.585 nan 8.250 nan 0.000 0.535 125 A N 0.895 123.669 122.820 -0.077 0.000 2.498 125 A HA 0.701 5.021 4.320 -0.000 0.000 0.298 125 A C -1.156 176.385 177.584 -0.071 0.000 1.075 125 A CA -0.819 51.181 52.037 -0.062 0.000 0.714 125 A CB 1.325 20.294 19.000 -0.051 0.000 1.299 125 A HN 0.078 nan 8.150 nan 0.000 0.407 126 R N 0.092 120.566 120.500 -0.043 0.000 2.807 126 R HA 0.719 5.059 4.340 -0.000 0.000 0.276 126 R C -0.769 175.519 176.300 -0.021 0.000 0.979 126 R CA -0.789 55.288 56.100 -0.038 0.000 0.928 126 R CB 2.718 33.001 30.300 -0.028 0.000 1.191 126 R HN 0.750 nan 8.270 nan 0.000 0.471 127 R N 1.285 121.773 120.500 -0.020 0.000 2.621 127 R HA 0.326 4.666 4.340 -0.000 0.000 0.284 127 R C -0.753 175.544 176.300 -0.006 0.000 0.998 127 R CA -0.824 55.274 56.100 -0.003 0.000 0.895 127 R CB 1.727 32.034 30.300 0.012 0.000 1.195 127 R HN 0.506 nan 8.270 nan 0.000 0.450 128 R N 1.961 122.460 120.500 -0.002 0.000 2.522 128 R HA -0.021 4.319 4.340 -0.000 0.000 0.284 128 R C 1.517 177.813 176.300 -0.007 0.000 1.032 128 R CA 0.210 56.306 56.100 -0.006 0.000 1.049 128 R CB 0.817 31.115 30.300 -0.003 0.000 0.956 128 R HN 0.563 nan 8.270 nan 0.000 0.422 129 V N 1.383 121.285 119.914 -0.020 0.000 2.809 129 V HA 0.016 4.136 4.120 -0.000 0.000 0.256 129 V C 1.244 177.316 176.094 -0.036 0.000 1.080 129 V CA 1.828 64.120 62.300 -0.013 0.000 1.102 129 V CB -0.135 31.666 31.823 -0.037 0.000 0.705 129 V HN 0.837 nan 8.190 nan 0.000 0.475 130 G N 0.333 109.092 108.800 -0.067 0.000 3.448 130 G HA2 0.387 4.347 3.960 -0.000 0.000 0.261 130 G HA3 0.387 4.347 3.960 -0.000 0.000 0.261 130 G C 0.333 175.203 174.900 -0.049 0.000 1.173 130 G CA -0.468 44.573 45.100 -0.098 0.000 0.835 130 G HN 0.479 nan 8.290 nan 0.000 0.534 131 L N 0.216 121.430 121.223 -0.016 0.000 2.467 131 L HA 0.249 4.589 4.340 -0.000 0.000 0.270 131 L C 0.772 177.642 176.870 -0.001 0.000 1.205 131 L CA -0.384 54.455 54.840 -0.001 0.000 0.828 131 L CB 0.834 42.899 42.059 0.011 0.000 1.101 131 L HN 0.049 nan 8.230 nan 0.000 0.479 132 K N 2.025 122.429 120.400 0.008 0.000 2.234 132 K HA 0.452 4.772 4.320 -0.000 0.000 0.282 132 K C -0.242 176.365 176.600 0.011 0.000 1.039 132 K CA -0.479 55.816 56.287 0.014 0.000 0.928 132 K CB 1.240 33.755 32.500 0.025 0.000 1.039 132 K HN 0.619 nan 8.250 nan 0.000 0.470 133 A N 5.561 128.386 122.820 0.010 0.000 2.561 133 A HA 0.181 4.501 4.320 -0.000 0.000 0.234 133 A C -1.993 175.584 177.584 -0.013 0.000 1.055 133 A CA -0.950 51.088 52.037 0.002 0.000 0.756 133 A CB -0.740 18.262 19.000 0.002 0.000 0.986 133 A HN 0.703 nan 8.150 nan 0.000 0.505 134 P HA 0.061 nan 4.420 nan 0.000 0.267 134 P C 0.768 178.027 177.300 -0.068 0.000 1.175 134 P CA 0.963 64.020 63.100 -0.072 0.000 0.763 134 P CB 0.233 31.868 31.700 -0.108 0.000 0.795 135 G N 1.236 109.985 108.800 -0.084 0.000 2.494 135 G HA2 0.229 4.189 3.960 -0.000 0.000 0.270 135 G HA3 0.229 4.189 3.960 -0.000 0.000 0.270 135 G C 1.105 175.956 174.900 -0.082 0.000 1.423 135 G CA -0.684 44.378 45.100 -0.063 0.000 1.055 135 G HN 0.424 nan 8.290 nan 0.000 0.536 136 I N -0.101 120.433 120.570 -0.060 0.000 2.202 136 I HA -0.098 4.072 4.170 -0.000 0.000 0.242 136 I C 2.504 178.574 176.117 -0.079 0.000 1.091 136 I CA 0.568 61.836 61.300 -0.054 0.000 1.368 136 I CB -0.192 37.793 38.000 -0.026 0.000 1.058 136 I HN 0.220 nan 8.210 nan 0.000 0.410 137 I N 1.333 121.848 120.570 -0.091 0.000 2.226 137 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 137 I C -0.306 175.695 176.117 -0.195 0.000 1.100 137 I CA 1.608 62.857 61.300 -0.085 0.000 1.374 137 I CB -2.649 35.338 38.000 -0.021 0.000 1.057 137 I HN 0.174 nan 8.210 nan 0.000 0.413 138 P HA -0.039 nan 4.420 nan 0.000 0.239 138 P C 0.302 177.369 177.300 -0.388 0.000 1.184 138 P CA 0.807 63.340 63.100 -0.945 0.000 0.760 138 P CB 0.009 30.864 31.700 -1.408 0.000 0.884 139 R N -0.484 119.901 120.500 -0.192 0.000 2.782 139 R HA 0.706 5.046 4.340 -0.000 0.000 0.258 139 R C -0.538 175.741 176.300 -0.035 0.000 1.055 139 R CA -0.922 55.122 56.100 -0.092 0.000 1.065 139 R CB 1.174 31.430 30.300 -0.074 0.000 1.172 139 R HN -0.099 nan 8.270 nan 0.000 0.510 140 I N -0.523 120.040 120.570 -0.011 0.000 2.918 140 I HA 0.179 4.349 4.170 -0.000 0.000 0.301 140 I C -0.781 175.338 176.117 0.002 0.000 1.312 140 I CA -0.342 60.961 61.300 0.005 0.000 1.007 140 I CB 2.354 40.367 38.000 0.022 0.000 1.281 140 I HN 0.790 nan 8.210 nan 0.000 0.440 141 S N 4.966 120.667 115.700 0.003 0.000 2.563 141 S HA 0.355 4.825 4.470 -0.000 0.000 0.284 141 S C 0.380 174.978 174.600 -0.003 0.000 1.331 141 S CA -0.276 57.924 58.200 -0.000 0.000 1.047 141 S CB 0.347 63.548 63.200 0.001 0.000 0.859 141 S HN 1.312 nan 8.310 nan 0.000 0.514 142 V N 1.414 121.323 119.914 -0.008 0.000 2.763 142 V HA 0.460 4.580 4.120 -0.000 0.000 0.306 142 V C 0.971 177.052 176.094 -0.022 0.000 1.059 142 V CA -0.055 62.234 62.300 -0.018 0.000 1.138 142 V CB 0.436 32.243 31.823 -0.026 0.000 0.940 142 V HN 1.162 nan 8.190 nan 0.000 0.489 143 R N 1.213 121.693 120.500 -0.034 0.000 2.425 143 R HA 0.304 4.644 4.340 -0.000 0.000 0.299 143 R C -0.440 175.828 176.300 -0.053 0.000 0.830 143 R CA -0.219 55.862 56.100 -0.032 0.000 1.052 143 R CB -0.125 30.165 30.300 -0.017 0.000 1.747 143 R HN 0.781 nan 8.270 nan 0.000 0.472 144 E N 3.631 123.779 120.200 -0.088 0.000 2.145 144 E HA 0.401 4.751 4.350 -0.000 0.000 0.270 144 E C -2.631 173.879 176.600 -0.150 0.000 0.906 144 E CA -2.390 53.930 56.400 -0.134 0.000 0.761 144 E CB 1.898 31.467 29.700 -0.218 0.000 1.116 144 E HN -0.027 nan 8.360 nan 0.000 0.408 145 P HA -0.087 nan 4.420 nan 0.000 0.262 145 P C -0.478 176.712 177.300 -0.184 0.000 1.182 145 P CA 0.140 63.169 63.100 -0.120 0.000 0.761 145 P CB 0.403 32.054 31.700 -0.083 0.000 0.795 146 M N 4.056 123.564 119.600 -0.153 0.000 2.901 146 M HA 0.105 4.585 4.480 -0.000 0.000 0.294 146 M C -0.314 175.906 176.300 -0.132 0.000 1.255 146 M CA -0.545 54.644 55.300 -0.185 0.000 1.274 146 M CB -0.504 32.011 32.600 -0.141 0.000 1.173 146 M HN 0.295 nan 8.290 nan 0.000 0.525 147 Q N 1.503 121.218 119.800 -0.142 0.000 2.286 147 Q HA 0.035 4.375 4.340 -0.000 0.000 0.290 147 Q C 1.271 177.282 176.000 0.018 0.000 1.049 147 Q CA 0.560 56.357 55.803 -0.010 0.000 0.923 147 Q CB 0.330 29.147 28.738 0.131 0.000 1.183 147 Q HN 0.696 nan 8.270 nan 0.000 0.383 148 T N -1.776 112.796 114.554 0.030 0.000 3.037 148 T HA 0.219 4.569 4.350 -0.000 0.000 0.251 148 T C 1.224 175.959 174.700 0.058 0.000 1.079 148 T CA 0.470 62.591 62.100 0.035 0.000 1.067 148 T CB 0.241 69.121 68.868 0.021 0.000 0.948 148 T HN 0.800 nan 8.240 nan 0.000 0.496 149 G N 1.558 110.397 108.800 0.065 0.000 2.179 149 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.260 149 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.260 149 G C -0.004 174.917 174.900 0.035 0.000 0.977 149 G CA 0.216 45.348 45.100 0.054 0.000 0.641 149 G HN 0.663 nan 8.290 nan 0.000 0.533 150 I N 1.021 121.610 120.570 0.032 0.000 2.312 150 I HA 0.274 4.444 4.170 -0.000 0.000 0.290 150 I C 1.574 177.708 176.117 0.027 0.000 1.008 150 I CA -0.884 60.431 61.300 0.026 0.000 1.226 150 I CB 1.358 39.372 38.000 0.024 0.000 1.371 150 I HN -0.029 nan 8.210 nan 0.000 0.468 151 K N 4.498 124.915 120.400 0.027 0.000 2.001 151 K HA -0.242 4.078 4.320 -0.000 0.000 0.214 151 K C 2.023 178.642 176.600 0.032 0.000 1.050 151 K CA 1.884 58.190 56.287 0.031 0.000 0.934 151 K CB -0.284 32.235 32.500 0.032 0.000 0.718 151 K HN 0.788 nan 8.250 nan 0.000 0.443 152 A N 1.094 123.933 122.820 0.032 0.000 2.024 152 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 152 A C 2.344 179.949 177.584 0.035 0.000 1.164 152 A CA 1.553 53.611 52.037 0.035 0.000 0.643 152 A CB -0.490 18.534 19.000 0.039 0.000 0.806 152 A HN 0.122 nan 8.150 nan 0.000 0.451 153 V N -0.183 119.750 119.914 0.031 0.000 2.500 153 V HA -0.098 4.022 4.120 -0.000 0.000 0.243 153 V C 1.767 177.875 176.094 0.023 0.000 1.039 153 V CA 1.706 64.022 62.300 0.027 0.000 1.053 153 V CB -0.635 31.201 31.823 0.022 0.000 0.695 153 V HN 0.407 nan 8.190 nan 0.000 0.463 154 D N 0.649 121.063 120.400 0.024 0.000 2.312 154 D HA -0.070 4.570 4.640 -0.000 0.000 0.211 154 D C 2.323 178.637 176.300 0.024 0.000 0.964 154 D CA 1.503 55.516 54.000 0.022 0.000 0.877 154 D CB 0.080 40.896 40.800 0.027 0.000 0.924 154 D HN 0.609 nan 8.370 nan 0.000 0.515 155 S N -0.458 115.259 115.700 0.028 0.000 2.444 155 S HA 0.067 4.537 4.470 -0.000 0.000 0.223 155 S C 1.933 176.551 174.600 0.029 0.000 1.054 155 S CA 0.070 58.288 58.200 0.030 0.000 0.947 155 S CB -0.256 62.965 63.200 0.034 0.000 0.850 155 S HN 0.164 nan 8.310 nan 0.000 0.527 156 L N 0.991 122.233 121.223 0.031 0.000 2.515 156 L HA 0.406 4.746 4.340 -0.000 0.000 0.223 156 L C -0.060 176.831 176.870 0.034 0.000 1.079 156 L CA 0.033 54.893 54.840 0.034 0.000 0.857 156 L CB 0.508 42.591 42.059 0.040 0.000 1.050 156 L HN 0.165 nan 8.230 nan 0.000 0.476 157 V N 0.725 120.657 119.914 0.031 0.000 2.575 157 V HA 0.223 4.343 4.120 -0.000 0.000 0.281 157 V C -2.463 173.641 176.094 0.016 0.000 1.087 157 V CA -1.098 61.219 62.300 0.028 0.000 1.193 157 V CB 0.342 32.186 31.823 0.036 0.000 1.426 157 V HN -0.003 nan 8.190 nan 0.000 0.623 158 P HA 0.169 nan 4.420 nan 0.000 0.266 158 P C -0.373 176.922 177.300 -0.008 0.000 1.215 158 P CA 0.277 63.379 63.100 0.002 0.000 0.763 158 P CB 1.130 32.831 31.700 0.003 0.000 0.806 159 I N 2.907 123.466 120.570 -0.018 0.000 2.612 159 I HA 0.515 4.685 4.170 -0.000 0.000 0.295 159 I C 1.296 177.385 176.117 -0.047 0.000 1.011 159 I CA -0.613 60.669 61.300 -0.030 0.000 1.326 159 I CB 0.618 38.596 38.000 -0.036 0.000 1.427 159 I HN 0.364 nan 8.210 nan 0.000 0.537 160 G N 4.056 112.825 108.800 -0.053 0.000 2.519 160 G HA2 0.588 4.548 3.960 -0.000 0.000 0.307 160 G HA3 0.588 4.548 3.960 -0.000 0.000 0.307 160 G C -0.683 174.168 174.900 -0.081 0.000 1.266 160 G CA -0.905 44.154 45.100 -0.068 0.000 0.970 160 G HN 0.467 nan 8.290 nan 0.000 0.481 161 R N 0.067 120.497 120.500 -0.115 0.000 2.316 161 R HA 0.455 4.795 4.340 -0.000 0.000 0.314 161 R C 1.174 177.438 176.300 -0.060 0.000 1.069 161 R CA 1.250 57.276 56.100 -0.124 0.000 0.959 161 R CB 0.930 31.080 30.300 -0.250 0.000 0.987 161 R HN 1.130 nan 8.270 nan 0.000 0.446 162 G N 1.880 110.664 108.800 -0.027 0.000 2.218 162 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.216 162 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.216 162 G C 0.134 175.030 174.900 -0.007 0.000 0.994 162 G CA 0.032 45.132 45.100 0.000 0.000 0.637 162 G HN 0.594 nan 8.290 nan 0.000 0.505 163 Q N 0.339 120.128 119.800 -0.020 0.000 2.368 163 Q HA 0.658 4.998 4.340 -0.000 0.000 0.237 163 Q C -0.241 175.749 176.000 -0.016 0.000 0.987 163 Q CA -0.310 55.482 55.803 -0.018 0.000 0.896 163 Q CB 0.441 29.164 28.738 -0.024 0.000 1.241 163 Q HN 0.269 nan 8.270 nan 0.000 0.485 164 R N 2.076 122.567 120.500 -0.015 0.000 2.310 164 R HA 0.334 4.674 4.340 -0.000 0.000 0.324 164 R C -1.437 174.846 176.300 -0.028 0.000 0.955 164 R CA -0.547 55.543 56.100 -0.016 0.000 0.830 164 R CB 1.579 31.869 30.300 -0.016 0.000 1.154 164 R HN 0.596 nan 8.270 nan 0.000 0.458 165 E N 2.828 123.007 120.200 -0.035 0.000 2.218 165 E HA 0.310 4.660 4.350 -0.000 0.000 0.263 165 E C -1.353 175.209 176.600 -0.065 0.000 0.879 165 E CA -0.939 55.433 56.400 -0.046 0.000 0.762 165 E CB 0.956 30.633 29.700 -0.038 0.000 1.166 165 E HN 0.356 nan 8.360 nan 0.000 0.415 166 L N 5.005 126.173 121.223 -0.092 0.000 2.417 166 L HA 0.481 4.821 4.340 -0.000 0.000 0.268 166 L C -0.871 175.915 176.870 -0.139 0.000 1.158 166 L CA 0.145 54.910 54.840 -0.125 0.000 0.819 166 L CB 0.620 42.581 42.059 -0.164 0.000 1.112 166 L HN 0.705 nan 8.230 nan 0.000 0.458 167 I N 6.455 126.948 120.570 -0.127 0.000 2.420 167 I HA 0.410 4.580 4.170 -0.000 0.000 0.282 167 I C -0.565 175.470 176.117 -0.136 0.000 1.019 167 I CA -0.053 61.179 61.300 -0.113 0.000 1.130 167 I CB 1.258 39.221 38.000 -0.062 0.000 1.262 167 I HN 0.511 nan 8.210 nan 0.000 0.454 168 I N 5.379 125.834 120.570 -0.192 0.000 2.545 168 I HA 0.909 5.079 4.170 -0.000 0.000 0.292 168 I C -0.207 175.844 176.117 -0.109 0.000 1.040 168 I CA 0.014 61.198 61.300 -0.194 0.000 1.068 168 I CB 1.809 39.610 38.000 -0.332 0.000 1.251 168 I HN 0.668 nan 8.210 nan 0.000 0.424 169 G N 4.870 113.640 108.800 -0.050 0.000 2.328 169 G HA2 0.199 4.159 3.960 -0.000 0.000 0.295 169 G HA3 0.199 4.159 3.960 -0.000 0.000 0.295 169 G C -2.006 172.877 174.900 -0.028 0.000 1.413 169 G CA -0.770 44.324 45.100 -0.011 0.000 0.817 169 G HN 0.486 nan 8.290 nan 0.000 0.546 170 D N 0.090 120.464 120.400 -0.044 0.000 2.384 170 D HA 0.409 5.049 4.640 -0.000 0.000 0.244 170 D C 1.257 177.508 176.300 -0.082 0.000 1.251 170 D CA -0.207 53.761 54.000 -0.055 0.000 0.961 170 D CB 0.495 41.252 40.800 -0.072 0.000 1.116 170 D HN 0.679 nan 8.370 nan 0.000 0.484 171 R N 0.475 120.941 120.500 -0.056 0.000 2.679 171 R HA 0.006 4.346 4.340 -0.000 0.000 0.268 171 R C -0.236 175.990 176.300 -0.122 0.000 1.044 171 R CA -0.183 55.884 56.100 -0.055 0.000 1.105 171 R CB 0.111 30.404 30.300 -0.011 0.000 0.989 171 R HN 0.256 nan 8.270 nan 0.000 0.447 172 Q N -0.130 119.583 119.800 -0.145 0.000 2.481 172 Q HA -0.165 4.175 4.340 -0.000 0.000 0.272 172 Q C 0.272 175.842 176.000 -0.717 0.000 1.157 172 Q CA 1.713 57.349 55.803 -0.278 0.000 0.935 172 Q CB -1.930 26.721 28.738 -0.145 0.000 1.338 172 Q HN 0.995 nan 8.270 nan 0.000 0.494 173 T N -4.527 109.714 114.554 -0.522 0.000 3.086 173 T HA 0.422 4.772 4.350 -0.000 0.000 0.250 173 T C 1.189 175.751 174.700 -0.231 0.000 1.074 173 T CA 0.697 62.423 62.100 -0.622 0.000 0.988 173 T CB 0.849 69.562 68.868 -0.257 0.000 0.988 173 T HN 0.850 nan 8.240 nan 0.000 0.530 174 G N 1.757 110.489 108.800 -0.113 0.000 2.142 174 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.225 174 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.225 174 G C 0.675 175.608 174.900 0.054 0.000 1.015 174 G CA 0.304 45.464 45.100 0.100 0.000 0.716 174 G HN 0.534 nan 8.290 nan 0.000 0.508 175 K N -0.450 119.957 120.400 0.010 0.000 1.991 175 K HA -0.075 4.245 4.320 -0.000 0.000 0.212 175 K C 2.679 179.301 176.600 0.037 0.000 1.049 175 K CA 2.002 58.297 56.287 0.013 0.000 0.932 175 K CB -0.463 32.030 32.500 -0.010 0.000 0.717 175 K HN 0.298 nan 8.250 nan 0.000 0.441 176 T N 0.971 115.558 114.554 0.055 0.000 2.624 176 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 176 T C 2.102 176.853 174.700 0.085 0.000 1.041 176 T CA 1.831 63.991 62.100 0.100 0.000 1.159 176 T CB -0.409 68.530 68.868 0.118 0.000 0.863 176 T HN 0.175 nan 8.240 nan 0.000 0.434 177 S N 0.673 116.407 115.700 0.056 0.000 2.389 177 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 177 S C 1.974 176.588 174.600 0.022 0.000 1.052 177 S CA 0.972 59.183 58.200 0.019 0.000 1.053 177 S CB -0.469 62.723 63.200 -0.015 0.000 0.886 177 S HN 0.371 nan 8.310 nan 0.000 0.456 178 I N 1.290 121.880 120.570 0.035 0.000 2.361 178 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 178 I C 2.567 178.710 176.117 0.043 0.000 1.133 178 I CA 1.275 62.594 61.300 0.031 0.000 1.413 178 I CB -1.522 36.495 38.000 0.027 0.000 1.073 178 I HN 0.264 nan 8.210 nan 0.000 0.424 179 A N 1.392 124.252 122.820 0.067 0.000 1.854 179 A HA -0.128 4.192 4.320 -0.000 0.000 0.214 179 A C 2.152 179.792 177.584 0.093 0.000 1.192 179 A CA 1.020 53.113 52.037 0.094 0.000 0.611 179 A CB -0.525 18.572 19.000 0.161 0.000 0.832 179 A HN 0.229 nan 8.150 nan 0.000 0.442 180 I N 0.815 121.434 120.570 0.082 0.000 2.264 180 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 180 I C 1.553 177.723 176.117 0.088 0.000 1.111 180 I CA 1.737 63.076 61.300 0.065 0.000 1.382 180 I CB -1.720 36.323 38.000 0.072 0.000 1.060 180 I HN 0.257 nan 8.210 nan 0.000 0.418 181 D N 0.073 120.515 120.400 0.071 0.000 2.312 181 D HA -0.086 4.554 4.640 -0.000 0.000 0.211 181 D C 2.168 178.512 176.300 0.075 0.000 0.964 181 D CA 0.859 54.901 54.000 0.071 0.000 0.877 181 D CB 0.093 40.912 40.800 0.031 0.000 0.924 181 D HN 0.221 nan 8.370 nan 0.000 0.515 182 T N -0.046 114.549 114.554 0.068 0.000 2.809 182 T HA 0.030 4.380 4.350 -0.000 0.000 0.260 182 T C 2.034 176.785 174.700 0.086 0.000 1.039 182 T CA 0.369 62.507 62.100 0.063 0.000 1.141 182 T CB 0.023 68.914 68.868 0.039 0.000 0.869 182 T HN 0.094 nan 8.240 nan 0.000 0.437 183 I N 1.035 121.668 120.570 0.106 0.000 2.058 183 I HA -0.179 3.991 4.170 -0.000 0.000 0.235 183 I C 2.295 178.557 176.117 0.243 0.000 1.053 183 I CA 1.491 62.892 61.300 0.169 0.000 1.313 183 I CB -0.536 37.548 38.000 0.140 0.000 1.039 183 I HN 0.183 nan 8.210 nan 0.000 0.396 184 I N 1.122 121.802 120.570 0.183 0.000 2.182 184 I HA -0.406 3.764 4.170 -0.000 0.000 0.248 184 I C 2.265 178.485 176.117 0.173 0.000 1.073 184 I CA 2.286 63.694 61.300 0.180 0.000 1.335 184 I CB -0.782 37.293 38.000 0.125 0.000 1.031 184 I HN 0.448 nan 8.210 nan 0.000 0.420 185 N N 0.399 119.181 118.700 0.136 0.000 2.453 185 N HA -0.197 4.543 4.740 -0.000 0.000 0.183 185 N C 1.805 177.407 175.510 0.153 0.000 1.041 185 N CA 0.872 53.990 53.050 0.114 0.000 0.900 185 N CB 0.116 38.676 38.487 0.121 0.000 0.961 185 N HN 0.269 nan 8.380 nan 0.000 0.443 186 Q N 0.585 120.472 119.800 0.146 0.000 2.230 186 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 186 Q C 1.670 177.641 176.000 -0.047 0.000 0.963 186 Q CA 0.704 56.581 55.803 0.124 0.000 0.866 186 Q CB -0.318 28.305 28.738 -0.191 0.000 0.931 186 Q HN 0.515 nan 8.270 nan 0.000 0.452 187 K N 1.547 121.915 120.400 -0.053 0.000 2.207 187 K HA -0.247 4.073 4.320 -0.000 0.000 0.208 187 K C 1.928 178.480 176.600 -0.081 0.000 1.046 187 K CA 1.944 58.248 56.287 0.027 0.000 0.929 187 K CB -0.027 32.579 32.500 0.177 0.000 0.720 187 K HN 0.244 nan 8.250 nan 0.000 0.463 188 R N -0.871 119.503 120.500 -0.210 0.000 2.276 188 R HA -0.055 4.285 4.340 -0.000 0.000 0.203 188 R C 1.185 177.243 176.300 -0.403 0.000 1.017 188 R CA 1.173 57.062 56.100 -0.352 0.000 1.010 188 R CB -0.095 29.904 30.300 -0.502 0.000 0.900 188 R HN 0.168 nan 8.270 nan 0.000 0.469 189 F N 0.349 120.208 119.950 -0.152 0.000 2.419 189 F HA 0.270 4.797 4.527 -0.000 0.000 0.283 189 F C 1.649 177.335 175.800 -0.190 0.000 1.044 189 F CA -0.245 57.658 58.000 -0.161 0.000 1.376 189 F CB -0.343 38.546 39.000 -0.184 0.000 1.131 189 F HN -0.086 nan 8.300 nan 0.000 0.585 190 N N 0.269 118.920 118.700 -0.082 0.000 2.573 190 N HA -0.100 4.640 4.740 -0.000 0.000 0.187 190 N C 0.114 175.589 175.510 -0.057 0.000 1.107 190 N CA 0.956 53.892 53.050 -0.189 0.000 0.918 190 N CB -0.362 37.850 38.487 -0.459 0.000 0.966 190 N HN 0.246 nan 8.380 nan 0.000 0.448 191 D N -0.849 119.532 120.400 -0.032 0.000 2.463 191 D HA 0.206 4.846 4.640 -0.000 0.000 0.224 191 D C 1.093 177.386 176.300 -0.011 0.000 1.174 191 D CA -0.083 53.914 54.000 -0.004 0.000 0.829 191 D CB 0.217 41.016 40.800 -0.001 0.000 0.993 191 D HN 0.124 nan 8.370 nan 0.000 0.497 192 G N -0.859 107.936 108.800 -0.008 0.000 2.882 192 G HA2 0.317 4.277 3.960 -0.000 0.000 0.164 192 G HA3 0.317 4.277 3.960 -0.000 0.000 0.164 192 G C 0.777 175.684 174.900 0.012 0.000 1.429 192 G CA 0.144 45.242 45.100 -0.002 0.000 1.059 192 G HN 0.098 nan 8.290 nan 0.000 0.581 193 T N -0.900 113.665 114.554 0.018 0.000 3.177 193 T HA 0.124 4.474 4.350 -0.000 0.000 0.262 193 T C 0.070 174.790 174.700 0.033 0.000 0.959 193 T CA 0.176 62.291 62.100 0.025 0.000 0.996 193 T CB 0.067 68.946 68.868 0.019 0.000 1.185 193 T HN 0.412 nan 8.240 nan 0.000 0.486 194 D N 2.962 123.382 120.400 0.033 0.000 2.342 194 D HA 0.064 4.704 4.640 -0.000 0.000 0.260 194 D C 1.035 177.363 176.300 0.047 0.000 1.278 194 D CA 0.095 54.118 54.000 0.038 0.000 0.910 194 D CB 0.542 41.364 40.800 0.035 0.000 1.079 194 D HN 0.031 nan 8.370 nan 0.000 0.496 195 E N 2.983 123.218 120.200 0.058 0.000 2.526 195 E HA -0.155 4.195 4.350 -0.000 0.000 0.205 195 E C 0.940 177.591 176.600 0.085 0.000 1.104 195 E CA 0.554 57.001 56.400 0.079 0.000 0.899 195 E CB 0.166 29.928 29.700 0.103 0.000 0.838 195 E HN 0.599 nan 8.360 nan 0.000 0.564 196 K N 0.189 120.636 120.400 0.078 0.000 2.166 196 K HA 0.049 4.369 4.320 -0.000 0.000 0.201 196 K C 1.768 178.443 176.600 0.125 0.000 1.052 196 K CA 0.502 56.860 56.287 0.119 0.000 0.969 196 K CB 0.282 32.835 32.500 0.089 0.000 0.761 196 K HN -0.108 nan 8.250 nan 0.000 0.459 197 K N 0.919 121.346 120.400 0.046 0.000 2.404 197 K HA 0.076 4.396 4.320 -0.000 0.000 0.194 197 K C 0.008 176.540 176.600 -0.113 0.000 1.023 197 K CA 0.155 56.419 56.287 -0.039 0.000 1.094 197 K CB 0.415 32.940 32.500 0.042 0.000 0.841 197 K HN 0.061 nan 8.250 nan 0.000 0.523 198 K N 0.852 121.216 120.400 -0.060 0.000 2.149 198 K HA 0.191 4.511 4.320 -0.000 0.000 0.245 198 K C -0.520 175.900 176.600 -0.301 0.000 1.024 198 K CA -0.275 55.885 56.287 -0.213 0.000 0.899 198 K CB 0.488 32.817 32.500 -0.285 0.000 1.038 198 K HN -0.166 nan 8.250 nan 0.000 0.496 199 L N 2.300 123.222 121.223 -0.501 0.000 2.568 199 L HA 0.270 4.610 4.340 -0.000 0.000 0.262 199 L C -1.733 174.827 176.870 -0.517 0.000 0.980 199 L CA -0.274 54.319 54.840 -0.412 0.000 0.882 199 L CB 0.654 42.496 42.059 -0.362 0.000 1.198 199 L HN 0.443 nan 8.230 nan 0.000 0.425 200 Y N 2.733 122.864 120.300 -0.281 0.000 2.336 200 Y HA 0.477 5.027 4.550 -0.000 0.000 0.331 200 Y C 0.567 176.322 175.900 -0.242 0.000 1.211 200 Y CA -0.065 57.828 58.100 -0.345 0.000 1.346 200 Y CB 0.909 38.846 38.460 -0.873 0.000 1.271 200 Y HN 0.478 nan 8.280 nan 0.000 0.538 201 C N 4.170 123.505 119.300 0.058 0.000 2.408 201 C HA 0.690 5.150 4.460 -0.000 0.000 0.321 201 C C -0.304 174.719 174.990 0.054 0.000 1.245 201 C CA -1.052 58.005 59.018 0.065 0.000 1.523 201 C CB -0.240 27.609 27.740 0.181 0.000 2.178 201 C HN 0.623 nan 8.230 nan 0.000 0.488 202 I N 2.829 123.407 120.570 0.015 0.000 2.466 202 I HA 0.321 4.491 4.170 -0.000 0.000 0.289 202 I C -0.951 175.169 176.117 0.005 0.000 1.026 202 I CA -0.471 60.838 61.300 0.015 0.000 1.078 202 I CB 1.258 39.248 38.000 -0.016 0.000 1.249 202 I HN 0.597 nan 8.210 nan 0.000 0.429 203 Y N 6.726 126.983 120.300 -0.073 0.000 2.388 203 Y HA 0.612 5.162 4.550 -0.000 0.000 0.328 203 Y C -0.870 174.991 175.900 -0.066 0.000 0.963 203 Y CA -0.770 57.284 58.100 -0.077 0.000 1.240 203 Y CB 1.160 39.595 38.460 -0.042 0.000 1.118 203 Y HN 0.273 nan 8.280 nan 0.000 0.484 204 V N 6.133 125.789 119.914 -0.430 0.000 2.364 204 V HA 0.610 4.730 4.120 -0.000 0.000 0.272 204 V C 0.044 175.911 176.094 -0.377 0.000 1.036 204 V CA -0.536 61.605 62.300 -0.265 0.000 0.880 204 V CB 0.841 32.576 31.823 -0.146 0.000 0.991 204 V HN 0.887 nan 8.190 nan 0.000 0.460 205 A N 7.165 129.902 122.820 -0.139 0.000 2.256 205 A HA 0.826 5.146 4.320 -0.000 0.000 0.317 205 A C -0.566 177.013 177.584 -0.007 0.000 1.318 205 A CA -0.351 51.661 52.037 -0.041 0.000 0.894 205 A CB 0.006 19.116 19.000 0.183 0.000 1.165 205 A HN 0.782 nan 8.150 nan 0.000 0.525 206 I N 2.228 122.785 120.570 -0.023 0.000 2.382 206 I HA 0.558 4.728 4.170 -0.000 0.000 0.285 206 I C 1.183 177.321 176.117 0.035 0.000 1.007 206 I CA 0.274 61.581 61.300 0.010 0.000 1.142 206 I CB 1.650 39.649 38.000 -0.002 0.000 1.289 206 I HN 0.922 nan 8.210 nan 0.000 0.453 207 G N 3.637 112.468 108.800 0.052 0.000 2.205 207 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.261 207 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.261 207 G C 0.376 175.310 174.900 0.056 0.000 0.980 207 G CA -0.141 44.994 45.100 0.058 0.000 0.632 207 G HN 0.599 nan 8.290 nan 0.000 0.533 208 Q N 0.344 120.180 119.800 0.060 0.000 2.584 208 Q HA 0.437 4.777 4.340 -0.000 0.000 0.218 208 Q C 0.473 176.509 176.000 0.060 0.000 1.079 208 Q CA 0.208 56.051 55.803 0.066 0.000 1.008 208 Q CB 0.400 29.193 28.738 0.091 0.000 1.267 208 Q HN 0.546 nan 8.270 nan 0.000 0.586 209 K N 0.582 121.016 120.400 0.056 0.000 2.118 209 K HA 0.216 4.536 4.320 -0.000 0.000 0.264 209 K C 0.758 177.386 176.600 0.047 0.000 1.000 209 K CA -0.555 55.760 56.287 0.047 0.000 0.929 209 K CB 1.005 33.530 32.500 0.041 0.000 1.021 209 K HN 0.402 nan 8.250 nan 0.000 0.463 210 R N 0.999 121.522 120.500 0.040 0.000 2.094 210 R HA -0.202 4.138 4.340 -0.000 0.000 0.239 210 R C 2.120 178.438 176.300 0.030 0.000 1.137 210 R CA 2.433 58.554 56.100 0.035 0.000 0.943 210 R CB -0.420 29.898 30.300 0.030 0.000 0.850 210 R HN 0.813 nan 8.270 nan 0.000 0.433 211 S N 0.006 115.722 115.700 0.026 0.000 2.390 211 S HA -0.270 4.200 4.470 -0.000 0.000 0.234 211 S C 1.990 176.603 174.600 0.021 0.000 1.063 211 S CA 2.342 60.554 58.200 0.021 0.000 1.108 211 S CB -1.035 62.177 63.200 0.021 0.000 0.975 211 S HN 0.407 nan 8.310 nan 0.000 0.442 212 T N 1.852 116.425 114.554 0.031 0.000 2.833 212 T HA -0.010 4.340 4.350 -0.000 0.000 0.269 212 T C 1.917 176.631 174.700 0.024 0.000 1.054 212 T CA 1.253 63.374 62.100 0.033 0.000 1.135 212 T CB -0.438 68.461 68.868 0.052 0.000 0.869 212 T HN 0.282 nan 8.240 nan 0.000 0.466 213 V N 1.546 121.480 119.914 0.033 0.000 2.346 213 V HA -0.049 4.071 4.120 -0.000 0.000 0.244 213 V C 2.917 179.007 176.094 -0.007 0.000 1.037 213 V CA 1.367 63.683 62.300 0.028 0.000 1.029 213 V CB -1.256 30.606 31.823 0.065 0.000 0.663 213 V HN 0.489 nan 8.190 nan 0.000 0.454 214 A N -0.126 122.693 122.820 -0.001 0.000 1.892 214 A HA -0.344 3.976 4.320 -0.000 0.000 0.218 214 A C 2.151 179.718 177.584 -0.028 0.000 1.188 214 A CA 2.355 54.385 52.037 -0.012 0.000 0.631 214 A CB -0.571 18.427 19.000 -0.004 0.000 0.822 214 A HN 0.649 nan 8.150 nan 0.000 0.447 215 Q N -0.938 118.849 119.800 -0.023 0.000 2.297 215 Q HA 0.061 4.401 4.340 -0.000 0.000 0.204 215 Q C 1.991 177.956 176.000 -0.057 0.000 0.962 215 Q CA 0.571 56.355 55.803 -0.032 0.000 0.879 215 Q CB -0.131 28.599 28.738 -0.013 0.000 0.947 215 Q HN 0.576 nan 8.270 nan 0.000 0.462 216 L N 0.657 121.838 121.223 -0.070 0.000 2.023 216 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 216 L C 2.361 179.149 176.870 -0.136 0.000 1.073 216 L CA 1.590 56.355 54.840 -0.125 0.000 0.745 216 L CB -0.740 41.203 42.059 -0.193 0.000 0.900 216 L HN 0.279 nan 8.230 nan 0.000 0.435 217 V N -1.301 118.548 119.914 -0.108 0.000 2.515 217 V HA -0.197 3.923 4.120 -0.000 0.000 0.250 217 V C 2.596 178.633 176.094 -0.096 0.000 1.058 217 V CA 1.542 63.782 62.300 -0.101 0.000 1.064 217 V CB -0.615 31.166 31.823 -0.070 0.000 0.675 217 V HN 0.349 nan 8.190 nan 0.000 0.461 218 K N 0.973 121.322 120.400 -0.084 0.000 2.057 218 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 218 K C 2.401 178.935 176.600 -0.109 0.000 1.049 218 K CA 2.192 58.429 56.287 -0.083 0.000 0.931 218 K CB -0.384 32.075 32.500 -0.068 0.000 0.714 218 K HN 0.601 nan 8.250 nan 0.000 0.440 219 R N 0.857 121.279 120.500 -0.129 0.000 2.066 219 R HA -0.005 4.335 4.340 -0.000 0.000 0.232 219 R C 2.419 178.625 176.300 -0.158 0.000 1.131 219 R CA 1.323 57.316 56.100 -0.179 0.000 0.955 219 R CB -0.654 29.520 30.300 -0.211 0.000 0.851 219 R HN 0.162 nan 8.270 nan 0.000 0.432 220 L N 0.017 121.157 121.223 -0.140 0.000 2.046 220 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 220 L C 2.289 179.074 176.870 -0.142 0.000 1.077 220 L CA 1.912 56.669 54.840 -0.139 0.000 0.747 220 L CB -0.824 41.142 42.059 -0.155 0.000 0.896 220 L HN 0.320 nan 8.230 nan 0.000 0.432 221 T N -0.462 114.016 114.554 -0.127 0.000 2.597 221 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 221 T C 1.453 176.095 174.700 -0.097 0.000 1.053 221 T CA 1.874 63.909 62.100 -0.108 0.000 1.165 221 T CB -0.389 68.427 68.868 -0.086 0.000 0.863 221 T HN 0.364 nan 8.240 nan 0.000 0.427 222 D N 1.549 121.889 120.400 -0.100 0.000 2.158 222 D HA -0.061 4.579 4.640 -0.000 0.000 0.197 222 D C 1.943 178.193 176.300 -0.084 0.000 0.995 222 D CA 1.277 55.222 54.000 -0.092 0.000 0.846 222 D CB -0.409 40.324 40.800 -0.111 0.000 0.941 222 D HN 0.484 nan 8.370 nan 0.000 0.456 223 A N 0.233 122.998 122.820 -0.091 0.000 2.278 223 A HA 0.033 4.353 4.320 -0.000 0.000 0.212 223 A C 0.325 177.880 177.584 -0.049 0.000 1.213 223 A CA 0.356 52.358 52.037 -0.059 0.000 0.840 223 A CB -0.113 18.861 19.000 -0.043 0.000 0.866 223 A HN 0.051 nan 8.150 nan 0.000 0.489 224 D N -2.598 117.756 120.400 -0.077 0.000 2.689 224 D HA -0.200 4.440 4.640 -0.000 0.000 0.237 224 D C 0.705 176.906 176.300 -0.164 0.000 1.148 224 D CA 1.027 54.976 54.000 -0.084 0.000 0.656 224 D CB -1.158 39.627 40.800 -0.026 0.000 1.050 224 D HN 0.508 nan 8.370 nan 0.000 0.426 225 A N -0.128 122.506 122.820 -0.310 0.000 2.070 225 A HA 0.141 4.461 4.320 -0.000 0.000 0.202 225 A C 2.083 179.134 177.584 -0.887 0.000 1.277 225 A CA 0.427 52.000 52.037 -0.774 0.000 0.872 225 A CB 0.002 18.776 19.000 -0.377 0.000 0.933 225 A HN 0.289 nan 8.150 nan 0.000 0.475 226 M N 1.472 120.822 119.600 -0.418 0.000 2.192 226 M HA -0.216 4.264 4.480 -0.000 0.000 0.259 226 M C 2.042 178.194 176.300 -0.247 0.000 1.071 226 M CA 2.110 57.244 55.300 -0.277 0.000 1.082 226 M CB -0.950 31.554 32.600 -0.160 0.000 1.373 226 M HN 0.705 nan 8.290 nan 0.000 0.408 227 K N 0.239 120.487 120.400 -0.252 0.000 2.280 227 K HA -0.176 4.144 4.320 -0.000 0.000 0.202 227 K C 0.692 177.294 176.600 0.004 0.000 1.047 227 K CA 1.454 57.685 56.287 -0.093 0.000 0.942 227 K CB -0.572 31.912 32.500 -0.027 0.000 0.739 227 K HN 0.511 nan 8.250 nan 0.000 0.457 228 Y N -0.421 119.910 120.300 0.052 0.000 2.734 228 Y HA 0.502 5.052 4.550 -0.000 0.000 0.278 228 Y C -0.763 175.174 175.900 0.061 0.000 1.108 228 Y CA -1.198 56.951 58.100 0.083 0.000 1.211 228 Y CB 0.090 38.550 38.460 0.000 0.000 1.182 228 Y HN -0.205 nan 8.280 nan 0.000 0.547 229 T N 2.782 117.361 114.554 0.041 0.000 2.971 229 T HA 0.558 4.908 4.350 -0.000 0.000 0.304 229 T C -0.465 174.258 174.700 0.039 0.000 1.038 229 T CA -0.506 61.620 62.100 0.043 0.000 1.007 229 T CB 1.590 70.415 68.868 -0.070 0.000 1.055 229 T HN 0.213 nan 8.240 nan 0.000 0.451 230 I N 1.978 122.588 120.570 0.066 0.000 2.577 230 I HA 0.661 4.831 4.170 -0.000 0.000 0.305 230 I C -0.481 175.674 176.117 0.064 0.000 0.986 230 I CA -1.210 60.125 61.300 0.058 0.000 1.189 230 I CB 1.704 39.747 38.000 0.072 0.000 1.355 230 I HN 0.207 nan 8.210 nan 0.000 0.476 231 V N 5.333 125.282 119.914 0.059 0.000 2.443 231 V HA 0.272 4.392 4.120 -0.000 0.000 0.293 231 V C -0.250 175.884 176.094 0.066 0.000 1.021 231 V CA -0.596 61.758 62.300 0.090 0.000 0.848 231 V CB 2.006 33.877 31.823 0.080 0.000 0.998 231 V HN 0.406 nan 8.190 nan 0.000 0.424 232 V N 4.273 124.222 119.914 0.058 0.000 2.350 232 V HA 0.494 4.614 4.120 -0.000 0.000 0.276 232 V C 0.337 176.454 176.094 0.038 0.000 1.028 232 V CA -0.145 62.173 62.300 0.029 0.000 0.860 232 V CB 1.746 33.571 31.823 0.002 0.000 0.990 232 V HN 0.853 nan 8.190 nan 0.000 0.453 233 S N 4.656 120.381 115.700 0.042 0.000 2.456 233 S HA 0.786 5.256 4.470 -0.000 0.000 0.316 233 S C -0.207 174.418 174.600 0.042 0.000 1.089 233 S CA -0.087 58.143 58.200 0.051 0.000 1.101 233 S CB 1.237 64.473 63.200 0.060 0.000 0.995 233 S HN 1.085 nan 8.310 nan 0.000 0.468 234 A N 4.412 127.259 122.820 0.044 0.000 2.763 234 A HA 0.590 4.910 4.320 -0.000 0.000 0.325 234 A C 0.327 177.946 177.584 0.058 0.000 1.209 234 A CA -0.645 51.423 52.037 0.052 0.000 0.764 234 A CB 0.058 19.091 19.000 0.056 0.000 1.120 234 A HN 0.930 nan 8.150 nan 0.000 0.463 235 T N -1.536 113.052 114.554 0.057 0.000 2.824 235 T HA 0.580 4.930 4.350 -0.000 0.000 0.277 235 T C 1.632 176.365 174.700 0.056 0.000 0.975 235 T CA 0.068 62.202 62.100 0.056 0.000 0.966 235 T CB 1.158 70.058 68.868 0.052 0.000 1.054 235 T HN 1.223 nan 8.240 nan 0.000 0.533 236 A N 0.742 123.593 122.820 0.052 0.000 1.971 236 A HA -0.165 4.155 4.320 -0.000 0.000 0.222 236 A C 2.551 180.162 177.584 0.045 0.000 1.182 236 A CA 2.729 54.795 52.037 0.049 0.000 0.649 236 A CB -1.540 17.486 19.000 0.043 0.000 0.818 236 A HN 1.114 nan 8.150 nan 0.000 0.458 237 S N -0.620 115.105 115.700 0.042 0.000 2.527 237 S HA -0.000 4.470 4.470 -0.000 0.000 0.222 237 S C 0.292 174.918 174.600 0.042 0.000 0.985 237 S CA 0.082 58.304 58.200 0.037 0.000 0.921 237 S CB -0.415 62.804 63.200 0.031 0.000 0.772 237 S HN 0.490 nan 8.310 nan 0.000 0.529 238 D N 2.374 122.805 120.400 0.052 0.000 2.372 238 D HA 0.440 5.080 4.640 -0.000 0.000 0.243 238 D C 0.369 176.712 176.300 0.072 0.000 1.121 238 D CA 0.339 54.377 54.000 0.063 0.000 0.898 238 D CB 1.396 42.240 40.800 0.073 0.000 1.202 238 D HN 0.463 nan 8.370 nan 0.000 0.428 239 A N 1.406 124.272 122.820 0.076 0.000 2.507 239 A HA 0.296 4.616 4.320 -0.000 0.000 0.235 239 A C 1.417 179.067 177.584 0.111 0.000 1.070 239 A CA 0.470 52.553 52.037 0.076 0.000 0.768 239 A CB 0.252 19.291 19.000 0.065 0.000 1.011 239 A HN 0.643 nan 8.150 nan 0.000 0.502 240 A N 2.704 125.581 122.820 0.095 0.000 1.917 240 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 240 A C -0.127 177.589 177.584 0.219 0.000 1.182 240 A CA 2.207 54.322 52.037 0.130 0.000 0.633 240 A CB -1.780 17.268 19.000 0.080 0.000 0.819 240 A HN 0.651 nan 8.150 nan 0.000 0.448 241 P HA -0.127 nan 4.420 nan 0.000 0.218 241 P C 1.344 178.989 177.300 0.575 0.000 1.148 241 P CA 0.879 64.218 63.100 0.398 0.000 0.822 241 P CB -0.149 31.652 31.700 0.168 0.000 0.784 242 L N -0.866 120.590 121.223 0.389 0.000 2.056 242 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 242 L C 2.530 179.519 176.870 0.198 0.000 1.078 242 L CA 1.528 56.528 54.840 0.268 0.000 0.749 242 L CB -1.150 41.013 42.059 0.174 0.000 0.901 242 L HN 0.005 nan 8.230 nan 0.000 0.433 243 Q N -1.055 118.867 119.800 0.202 0.000 2.230 243 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 243 Q C 2.033 178.144 176.000 0.184 0.000 0.963 243 Q CA 1.511 57.406 55.803 0.153 0.000 0.866 243 Q CB -0.348 28.472 28.738 0.138 0.000 0.931 243 Q HN 0.550 nan 8.270 nan 0.000 0.452 244 Y N 1.391 121.792 120.300 0.168 0.000 2.184 244 Y HA -0.184 4.366 4.550 -0.000 0.000 0.290 244 Y C 1.959 177.999 175.900 0.234 0.000 1.129 244 Y CA 0.978 59.201 58.100 0.205 0.000 1.144 244 Y CB -0.261 38.368 38.460 0.283 0.000 0.995 244 Y HN 0.083 nan 8.280 nan 0.000 0.513 245 L N 1.160 122.343 121.223 -0.066 0.000 2.083 245 L HA -0.041 4.299 4.340 -0.000 0.000 0.209 245 L C 2.510 179.318 176.870 -0.104 0.000 1.083 245 L CA 1.895 56.641 54.840 -0.156 0.000 0.752 245 L CB -1.374 40.589 42.059 -0.159 0.000 0.899 245 L HN 0.360 nan 8.230 nan 0.000 0.433 246 A N 0.500 123.276 122.820 -0.074 0.000 1.870 246 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 246 A C 0.132 177.655 177.584 -0.101 0.000 1.224 246 A CA 2.508 54.505 52.037 -0.067 0.000 0.650 246 A CB -2.358 16.625 19.000 -0.029 0.000 0.836 246 A HN 0.462 nan 8.150 nan 0.000 0.454 247 P HA -0.202 nan 4.420 nan 0.000 0.216 247 P C 1.068 178.210 177.300 -0.262 0.000 1.157 247 P CA 1.763 64.733 63.100 -0.217 0.000 0.880 247 P CB -0.335 31.023 31.700 -0.570 0.000 0.791 248 Y N 0.007 120.218 120.300 -0.149 0.000 2.145 248 Y HA -0.143 4.407 4.550 -0.000 0.000 0.286 248 Y C 2.781 178.631 175.900 -0.084 0.000 1.145 248 Y CA 1.562 59.574 58.100 -0.147 0.000 1.148 248 Y CB -1.575 36.744 38.460 -0.234 0.000 0.981 248 Y HN -0.077 nan 8.280 nan 0.000 0.507 249 S N -0.094 115.625 115.700 0.032 0.000 2.353 249 S HA -0.217 4.253 4.470 -0.000 0.000 0.222 249 S C 2.451 177.059 174.600 0.013 0.000 1.035 249 S CA 1.421 59.618 58.200 -0.004 0.000 1.025 249 S CB -1.177 61.993 63.200 -0.050 0.000 0.902 249 S HN 0.666 nan 8.310 nan 0.000 0.440 250 G N 0.018 108.826 108.800 0.014 0.000 2.442 250 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.219 250 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.219 250 G C 1.747 176.678 174.900 0.052 0.000 1.141 250 G CA 1.132 46.245 45.100 0.022 0.000 0.763 250 G HN 0.619 nan 8.290 nan 0.000 0.554 251 C N 0.620 119.980 119.300 0.101 0.000 2.435 251 C HA 0.070 4.530 4.460 -0.000 0.000 0.279 251 C C 3.188 178.239 174.990 0.102 0.000 1.321 251 C CA 1.485 60.579 59.018 0.127 0.000 1.752 251 C CB -0.977 26.874 27.740 0.186 0.000 1.959 251 C HN 0.334 nan 8.230 nan 0.000 0.500 252 S N 1.049 116.798 115.700 0.082 0.000 2.368 252 S HA -0.160 4.310 4.470 -0.000 0.000 0.225 252 S C 1.736 176.386 174.600 0.083 0.000 1.030 252 S CA 2.070 60.312 58.200 0.069 0.000 0.999 252 S CB -0.427 62.798 63.200 0.041 0.000 0.844 252 S HN 0.687 nan 8.310 nan 0.000 0.459 253 M N 1.032 120.677 119.600 0.076 0.000 2.202 253 M HA -0.086 4.394 4.480 -0.000 0.000 0.262 253 M C 2.308 178.755 176.300 0.245 0.000 1.063 253 M CA 1.461 56.822 55.300 0.102 0.000 1.097 253 M CB -0.674 31.976 32.600 0.083 0.000 1.382 253 M HN 0.458 nan 8.290 nan 0.000 0.413 254 G N -0.323 108.609 108.800 0.220 0.000 2.464 254 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.217 254 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.217 254 G C 1.342 176.408 174.900 0.276 0.000 1.138 254 G CA 0.200 45.472 45.100 0.287 0.000 0.793 254 G HN 0.473 nan 8.290 nan 0.000 0.539 255 E N -0.463 119.843 120.200 0.178 0.000 2.208 255 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 255 E C 1.885 178.538 176.600 0.088 0.000 0.988 255 E CA 0.480 56.951 56.400 0.118 0.000 0.828 255 E CB -0.199 29.550 29.700 0.082 0.000 0.763 255 E HN 0.599 nan 8.360 nan 0.000 0.478 256 Y N 1.042 121.305 120.300 -0.063 0.000 2.081 256 Y HA -0.326 4.224 4.550 -0.000 0.000 0.280 256 Y C 1.811 177.544 175.900 -0.278 0.000 1.163 256 Y CA 1.762 59.727 58.100 -0.226 0.000 1.135 256 Y CB -0.500 37.734 38.460 -0.377 0.000 0.970 256 Y HN -0.094 nan 8.280 nan 0.000 0.498 257 F N 0.498 120.410 119.950 -0.063 0.000 2.069 257 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 257 F C 2.860 178.566 175.800 -0.157 0.000 1.113 257 F CA 2.157 60.061 58.000 -0.160 0.000 1.214 257 F CB -0.950 38.050 39.000 0.000 0.000 0.978 257 F HN -0.027 nan 8.300 nan 0.000 0.474 258 R N 0.523 121.088 120.500 0.108 0.000 2.096 258 R HA -0.192 4.148 4.340 -0.000 0.000 0.240 258 R C 1.423 177.716 176.300 -0.011 0.000 1.139 258 R CA 2.192 58.325 56.100 0.054 0.000 0.952 258 R CB -0.481 29.865 30.300 0.078 0.000 0.854 258 R HN 0.203 nan 8.270 nan 0.000 0.436 259 D N -0.109 120.263 120.400 -0.046 0.000 2.355 259 D HA -0.014 4.626 4.640 -0.000 0.000 0.218 259 D C 0.157 176.388 176.300 -0.115 0.000 1.004 259 D CA 0.529 54.500 54.000 -0.048 0.000 0.880 259 D CB 0.036 40.816 40.800 -0.034 0.000 0.911 259 D HN 0.206 nan 8.370 nan 0.000 0.528 260 N N -0.028 118.538 118.700 -0.222 0.000 2.453 260 N HA 0.173 4.913 4.740 -0.000 0.000 0.270 260 N C 1.033 176.428 175.510 -0.191 0.000 1.195 260 N CA 0.127 53.018 53.050 -0.264 0.000 0.902 260 N CB 1.185 39.366 38.487 -0.510 0.000 1.186 260 N HN 0.085 nan 8.380 nan 0.000 0.510 261 G N 0.661 109.380 108.800 -0.136 0.000 2.189 261 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.267 261 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.267 261 G C 0.282 175.057 174.900 -0.208 0.000 0.975 261 G CA 0.538 45.557 45.100 -0.136 0.000 0.644 261 G HN 0.311 nan 8.290 nan 0.000 0.537 262 K N -0.084 120.213 120.400 -0.171 0.000 2.168 262 K HA 0.573 4.893 4.320 -0.000 0.000 0.239 262 K C -0.581 175.902 176.600 -0.195 0.000 0.999 262 K CA -0.873 55.353 56.287 -0.101 0.000 0.900 262 K CB 0.952 33.576 32.500 0.208 0.000 1.111 262 K HN 0.294 nan 8.250 nan 0.000 0.452 263 H N -0.171 119.025 119.070 0.210 0.000 2.511 263 H HA 0.458 5.014 4.556 -0.000 0.000 0.328 263 H C -0.718 174.657 175.328 0.078 0.000 1.044 263 H CA -0.551 55.556 56.048 0.099 0.000 1.212 263 H CB 1.687 31.440 29.762 -0.014 0.000 1.428 263 H HN 0.679 nan 8.280 nan 0.000 0.483 264 A N 3.147 126.063 122.820 0.160 0.000 2.384 264 A HA 0.619 4.939 4.320 -0.000 0.000 0.312 264 A C -1.161 176.426 177.584 0.005 0.000 1.113 264 A CA -0.728 51.325 52.037 0.026 0.000 0.779 264 A CB 1.768 20.789 19.000 0.035 0.000 1.307 264 A HN 0.491 nan 8.150 nan 0.000 0.436 265 L N 1.577 122.773 121.223 -0.043 0.000 2.376 265 L HA 0.765 5.105 4.340 -0.000 0.000 0.275 265 L C -1.120 175.692 176.870 -0.096 0.000 0.987 265 L CA -0.307 54.494 54.840 -0.064 0.000 0.828 265 L CB 1.257 43.276 42.059 -0.066 0.000 1.249 265 L HN 0.717 nan 8.230 nan 0.000 0.409 266 I N 5.306 125.774 120.570 -0.170 0.000 2.493 266 I HA 0.577 4.747 4.170 -0.000 0.000 0.298 266 I C -1.182 174.661 176.117 -0.456 0.000 0.998 266 I CA -0.694 60.403 61.300 -0.338 0.000 1.137 266 I CB 1.539 39.259 38.000 -0.467 0.000 1.310 266 I HN 0.646 nan 8.210 nan 0.000 0.445 267 I N 7.423 127.698 120.570 -0.491 0.000 2.410 267 I HA 0.251 4.421 4.170 -0.000 0.000 0.286 267 I C -1.438 174.346 176.117 -0.556 0.000 1.009 267 I CA -0.528 60.524 61.300 -0.414 0.000 1.111 267 I CB 1.316 39.205 38.000 -0.185 0.000 1.262 267 I HN 0.437 nan 8.210 nan 0.000 0.443 268 Y N 4.192 124.344 120.300 -0.246 0.000 2.491 268 Y HA 0.334 4.884 4.550 -0.000 0.000 0.334 268 Y C 0.007 175.746 175.900 -0.269 0.000 0.969 268 Y CA -0.813 57.120 58.100 -0.279 0.000 1.241 268 Y CB 0.603 38.908 38.460 -0.259 0.000 1.105 268 Y HN 0.392 nan 8.280 nan 0.000 0.503 269 D N 4.007 124.283 120.400 -0.206 0.000 2.464 269 D HA 0.189 4.829 4.640 -0.000 0.000 0.243 269 D C -1.319 174.927 176.300 -0.089 0.000 1.104 269 D CA -0.418 53.483 54.000 -0.166 0.000 0.883 269 D CB 0.526 41.158 40.800 -0.280 0.000 1.050 269 D HN 0.664 nan 8.370 nan 0.000 0.524 270 D N 1.298 121.673 120.400 -0.041 0.000 2.423 270 D HA 0.239 4.879 4.640 -0.000 0.000 0.235 270 D C 1.397 177.661 176.300 -0.059 0.000 1.011 270 D CA -0.764 53.205 54.000 -0.051 0.000 0.963 270 D CB 1.189 41.968 40.800 -0.034 0.000 1.349 270 D HN 0.104 nan 8.370 nan 0.000 0.508 271 L N 0.069 121.218 121.223 -0.122 0.000 2.217 271 L HA -0.100 4.240 4.340 -0.000 0.000 0.211 271 L C 1.918 178.773 176.870 -0.024 0.000 1.107 271 L CA 0.770 55.502 54.840 -0.180 0.000 0.783 271 L CB -0.383 41.340 42.059 -0.559 0.000 0.919 271 L HN 0.386 nan 8.230 nan 0.000 0.442 272 S N 0.258 115.948 115.700 -0.017 0.000 2.359 272 S HA -0.235 4.235 4.470 -0.000 0.000 0.223 272 S C 1.916 176.583 174.600 0.113 0.000 1.039 272 S CA 1.455 59.690 58.200 0.058 0.000 1.042 272 S CB -0.199 63.027 63.200 0.044 0.000 0.915 272 S HN 0.382 nan 8.310 nan 0.000 0.439 273 K N 0.913 121.361 120.400 0.081 0.000 2.147 273 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 273 K C 2.507 179.184 176.600 0.129 0.000 1.049 273 K CA 0.941 57.287 56.287 0.099 0.000 0.936 273 K CB -0.159 32.383 32.500 0.069 0.000 0.722 273 K HN 0.399 nan 8.250 nan 0.000 0.446 274 Q N 0.726 120.600 119.800 0.122 0.000 2.020 274 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 274 Q C 2.069 178.214 176.000 0.242 0.000 0.982 274 Q CA 1.649 57.550 55.803 0.164 0.000 0.838 274 Q CB -0.142 28.659 28.738 0.105 0.000 0.899 274 Q HN 0.314 nan 8.270 nan 0.000 0.423 275 A N 0.691 123.659 122.820 0.246 0.000 1.986 275 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 275 A C 2.163 180.006 177.584 0.431 0.000 1.171 275 A CA 1.873 54.071 52.037 0.269 0.000 0.640 275 A CB -1.045 18.027 19.000 0.120 0.000 0.811 275 A HN 0.476 nan 8.150 nan 0.000 0.451 276 V N -2.171 117.944 119.914 0.336 0.000 2.379 276 V HA 0.031 4.151 4.120 -0.000 0.000 0.245 276 V C 2.476 178.674 176.094 0.174 0.000 1.044 276 V CA 1.914 64.361 62.300 0.246 0.000 1.036 276 V CB -1.155 30.762 31.823 0.157 0.000 0.664 276 V HN 0.546 nan 8.190 nan 0.000 0.453 277 A N -0.619 122.313 122.820 0.188 0.000 1.940 277 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 277 A C 2.204 179.897 177.584 0.182 0.000 1.176 277 A CA 2.227 54.365 52.037 0.170 0.000 0.631 277 A CB -1.097 18.028 19.000 0.209 0.000 0.814 277 A HN 0.863 nan 8.150 nan 0.000 0.446 278 Y N 0.195 120.563 120.300 0.113 0.000 2.293 278 Y HA -0.125 4.425 4.550 -0.000 0.000 0.291 278 Y C 2.445 178.358 175.900 0.021 0.000 1.137 278 Y CA 1.793 59.911 58.100 0.030 0.000 1.202 278 Y CB -0.320 38.190 38.460 0.082 0.000 0.990 278 Y HN 0.333 nan 8.280 nan 0.000 0.537 279 R N 0.190 120.732 120.500 0.070 0.000 2.092 279 R HA -0.205 4.135 4.340 -0.000 0.000 0.231 279 R C 2.421 178.644 176.300 -0.129 0.000 1.119 279 R CA 1.688 57.751 56.100 -0.062 0.000 0.970 279 R CB -0.321 29.924 30.300 -0.092 0.000 0.864 279 R HN 0.526 nan 8.270 nan 0.000 0.440 280 Q N 0.101 119.858 119.800 -0.072 0.000 2.119 280 Q HA -0.182 4.158 4.340 -0.000 0.000 0.201 280 Q C 1.939 177.867 176.000 -0.119 0.000 0.972 280 Q CA 1.683 57.440 55.803 -0.077 0.000 0.847 280 Q CB 0.023 28.743 28.738 -0.029 0.000 0.903 280 Q HN 0.399 nan 8.270 nan 0.000 0.433 281 M N -0.319 119.179 119.600 -0.170 0.000 2.099 281 M HA -0.143 4.337 4.480 -0.000 0.000 0.262 281 M C 2.345 178.482 176.300 -0.273 0.000 1.067 281 M CA 1.599 56.764 55.300 -0.225 0.000 1.124 281 M CB 0.008 32.431 32.600 -0.295 0.000 1.353 281 M HN 0.094 nan 8.290 nan 0.000 0.410 282 S N 0.875 116.337 115.700 -0.397 0.000 2.356 282 S HA -0.103 4.367 4.470 -0.000 0.000 0.223 282 S C 1.881 176.369 174.600 -0.186 0.000 1.032 282 S CA 1.292 59.290 58.200 -0.337 0.000 1.005 282 S CB -0.617 62.331 63.200 -0.421 0.000 0.867 282 S HN 0.364 nan 8.310 nan 0.000 0.449 283 L N 1.059 122.189 121.223 -0.154 0.000 2.083 283 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 283 L C 2.206 179.021 176.870 -0.091 0.000 1.083 283 L CA 0.964 55.741 54.840 -0.105 0.000 0.752 283 L CB -0.666 41.336 42.059 -0.095 0.000 0.899 283 L HN 0.259 nan 8.230 nan 0.000 0.433 284 L N -0.604 120.559 121.223 -0.100 0.000 2.201 284 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 284 L C 2.230 179.053 176.870 -0.079 0.000 1.105 284 L CA 0.924 55.716 54.840 -0.081 0.000 0.775 284 L CB -0.325 41.687 42.059 -0.078 0.000 0.913 284 L HN 0.277 nan 8.230 nan 0.000 0.440 285 L N -0.651 120.514 121.223 -0.097 0.000 2.554 285 L HA 0.034 4.374 4.340 -0.000 0.000 0.226 285 L C 0.692 177.525 176.870 -0.062 0.000 1.137 285 L CA 0.219 55.011 54.840 -0.079 0.000 0.863 285 L CB -0.124 41.880 42.059 -0.091 0.000 0.985 285 L HN 0.243 nan 8.230 nan 0.000 0.451 286 R N -0.132 120.330 120.500 -0.064 0.000 3.527 286 R HA -0.112 4.228 4.340 -0.000 0.000 0.288 286 R C -0.361 175.913 176.300 -0.043 0.000 1.146 286 R CA 0.171 56.242 56.100 -0.049 0.000 0.778 286 R CB -1.809 28.470 30.300 -0.036 0.000 1.289 286 R HN 0.307 nan 8.270 nan 0.000 0.454 287 R N 1.790 122.256 120.500 -0.056 0.000 2.490 287 R HA 0.178 4.518 4.340 -0.000 0.000 0.280 287 R C -1.904 174.381 176.300 -0.025 0.000 1.077 287 R CA -1.631 54.446 56.100 -0.038 0.000 1.065 287 R CB 0.275 30.542 30.300 -0.054 0.000 1.003 287 R HN -0.036 nan 8.270 nan 0.000 0.470 288 P HA 0.072 nan 4.420 nan 0.000 0.262 288 P C -2.375 174.933 177.300 0.014 0.000 1.199 288 P CA -0.982 62.119 63.100 0.001 0.000 0.763 288 P CB -0.175 31.530 31.700 0.009 0.000 0.790 289 P HA 0.317 nan 4.420 nan 0.000 0.275 289 P C 0.472 177.789 177.300 0.028 0.000 1.228 289 P CA 0.104 63.213 63.100 0.015 0.000 0.786 289 P CB 0.931 32.623 31.700 -0.013 0.000 0.927 290 G N 1.289 110.123 108.800 0.057 0.000 3.291 290 G HA2 0.325 4.285 3.960 -0.000 0.000 0.173 290 G HA3 0.325 4.285 3.960 -0.000 0.000 0.173 290 G C -0.677 174.229 174.900 0.010 0.000 1.099 290 G CA -0.840 44.276 45.100 0.026 0.000 0.794 290 G HN 0.353 nan 8.290 nan 0.000 0.651 291 R N 1.111 121.557 120.500 -0.091 0.000 2.494 291 R HA 0.113 4.453 4.340 -0.000 0.000 0.291 291 R C 0.082 176.461 176.300 0.131 0.000 0.953 291 R CA 0.997 57.009 56.100 -0.146 0.000 1.098 291 R CB -0.181 29.733 30.300 -0.644 0.000 0.911 291 R HN 0.693 nan 8.270 nan 0.000 0.407 292 E N 2.113 122.379 120.200 0.110 0.000 2.494 292 E HA -0.344 4.006 4.350 -0.000 0.000 0.249 292 E C 0.282 176.884 176.600 0.003 0.000 1.184 292 E CA 0.437 56.924 56.400 0.144 0.000 0.727 292 E CB -1.110 28.805 29.700 0.359 0.000 1.281 292 E HN 0.871 nan 8.360 nan 0.000 0.405 293 A N -2.233 120.590 122.820 0.004 0.000 2.861 293 A HA -0.300 4.020 4.320 -0.000 0.000 0.261 293 A C -0.030 177.509 177.584 -0.074 0.000 1.351 293 A CA 1.782 53.783 52.037 -0.059 0.000 0.904 293 A CB -2.051 16.878 19.000 -0.119 0.000 1.076 293 A HN 0.445 nan 8.150 nan 0.000 0.729 294 Y N 0.158 120.541 120.300 0.138 0.000 2.307 294 Y HA 0.498 5.048 4.550 -0.000 0.000 0.324 294 Y C -1.353 174.649 175.900 0.170 0.000 1.238 294 Y CA -1.492 56.715 58.100 0.179 0.000 1.280 294 Y CB 0.513 39.154 38.460 0.301 0.000 1.248 294 Y HN 0.222 nan 8.280 nan 0.000 0.508 295 P HA 0.071 nan 4.420 nan 0.000 0.274 295 P C 0.515 177.983 177.300 0.279 0.000 1.246 295 P CA -0.117 63.110 63.100 0.213 0.000 0.795 295 P CB 0.888 32.669 31.700 0.136 0.000 1.006 296 G N 1.106 110.034 108.800 0.214 0.000 2.471 296 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 296 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 296 G C 0.635 175.677 174.900 0.237 0.000 1.125 296 G CA 0.527 45.756 45.100 0.216 0.000 0.775 296 G HN 0.604 nan 8.290 nan 0.000 0.548 297 D N 0.703 121.260 120.400 0.261 0.000 2.340 297 D HA -0.021 4.619 4.640 -0.000 0.000 0.217 297 D C 2.249 178.685 176.300 0.227 0.000 1.081 297 D CA 0.467 54.636 54.000 0.281 0.000 0.842 297 D CB -0.479 40.510 40.800 0.315 0.000 0.934 297 D HN 0.284 nan 8.370 nan 0.000 0.511 298 V N -1.893 118.134 119.914 0.188 0.000 2.688 298 V HA -0.198 3.922 4.120 -0.000 0.000 0.256 298 V C 2.177 178.169 176.094 -0.171 0.000 1.084 298 V CA 1.101 63.379 62.300 -0.036 0.000 1.103 298 V CB -1.423 30.298 31.823 -0.170 0.000 0.688 298 V HN 0.129 nan 8.190 nan 0.000 0.480 299 F N 0.581 120.462 119.950 -0.114 0.000 2.206 299 F HA -0.052 4.475 4.527 -0.000 0.000 0.298 299 F C 2.268 178.077 175.800 0.015 0.000 1.090 299 F CA 1.521 59.473 58.000 -0.080 0.000 1.323 299 F CB -0.349 38.644 39.000 -0.012 0.000 1.028 299 F HN 0.198 nan 8.300 nan 0.000 0.492 300 Y N 0.483 120.736 120.300 -0.079 0.000 2.314 300 Y HA -0.097 4.453 4.550 -0.000 0.000 0.293 300 Y C 2.050 177.827 175.900 -0.204 0.000 1.129 300 Y CA 1.262 59.288 58.100 -0.124 0.000 1.201 300 Y CB -0.793 37.680 38.460 0.022 0.000 0.999 300 Y HN 0.195 nan 8.280 nan 0.000 0.541 301 L N -0.292 120.757 121.223 -0.290 0.000 2.043 301 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 301 L C 2.023 178.710 176.870 -0.305 0.000 1.075 301 L CA 2.362 56.961 54.840 -0.401 0.000 0.752 301 L CB -0.600 41.115 42.059 -0.572 0.000 0.891 301 L HN 0.346 nan 8.230 nan 0.000 0.432 302 H N -2.345 116.524 119.070 -0.334 0.000 2.520 302 H HA 0.036 4.592 4.556 -0.000 0.000 0.279 302 H C 2.324 177.411 175.328 -0.401 0.000 0.990 302 H CA 0.615 56.435 56.048 -0.380 0.000 1.288 302 H CB 0.214 29.753 29.762 -0.372 0.000 1.446 302 H HN 0.498 nan 8.280 nan 0.000 0.538 303 S N 1.607 117.079 115.700 -0.379 0.000 2.345 303 S HA -0.209 4.261 4.470 -0.000 0.000 0.219 303 S C 2.110 176.603 174.600 -0.179 0.000 1.031 303 S CA 0.986 58.971 58.200 -0.358 0.000 0.984 303 S CB -0.293 62.592 63.200 -0.524 0.000 0.874 303 S HN 0.506 nan 8.310 nan 0.000 0.451 304 R N 0.952 121.334 120.500 -0.198 0.000 2.159 304 R HA -0.013 4.327 4.340 -0.000 0.000 0.237 304 R C 2.248 178.493 176.300 -0.091 0.000 1.131 304 R CA 1.407 57.412 56.100 -0.159 0.000 0.982 304 R CB -0.723 29.337 30.300 -0.400 0.000 0.868 304 R HN 0.475 nan 8.270 nan 0.000 0.453 305 L N 0.983 122.146 121.223 -0.099 0.000 2.023 305 L HA 0.024 4.364 4.340 -0.000 0.000 0.205 305 L C 2.125 178.903 176.870 -0.153 0.000 1.073 305 L CA 1.505 56.266 54.840 -0.133 0.000 0.745 305 L CB -0.167 41.660 42.059 -0.386 0.000 0.900 305 L HN 0.201 nan 8.230 nan 0.000 0.435 306 L N -0.690 120.432 121.223 -0.168 0.000 2.418 306 L HA -0.008 4.332 4.340 -0.000 0.000 0.218 306 L C 2.350 179.191 176.870 -0.048 0.000 1.125 306 L CA 0.261 55.037 54.840 -0.107 0.000 0.835 306 L CB -0.475 41.501 42.059 -0.139 0.000 0.953 306 L HN 0.289 nan 8.230 nan 0.000 0.454 307 E N 0.578 120.751 120.200 -0.047 0.000 2.268 307 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 307 E C 2.061 178.658 176.600 -0.004 0.000 0.995 307 E CA 0.705 57.094 56.400 -0.018 0.000 0.836 307 E CB 0.093 29.788 29.700 -0.009 0.000 0.763 307 E HN 0.470 nan 8.360 nan 0.000 0.491 308 R N 0.319 120.820 120.500 0.002 0.000 2.235 308 R HA 0.051 4.391 4.340 -0.000 0.000 0.213 308 R C 0.797 177.118 176.300 0.034 0.000 1.059 308 R CA 0.421 56.533 56.100 0.021 0.000 0.997 308 R CB 0.112 30.433 30.300 0.035 0.000 0.884 308 R HN -0.088 nan 8.270 nan 0.000 0.462 309 A N 1.039 123.880 122.820 0.035 0.000 2.309 309 A HA 0.673 4.993 4.320 -0.000 0.000 0.290 309 A C -0.312 177.284 177.584 0.020 0.000 1.206 309 A CA -0.162 51.899 52.037 0.040 0.000 0.850 309 A CB 0.649 19.678 19.000 0.049 0.000 1.118 309 A HN 0.272 nan 8.150 nan 0.000 0.523 310 A N 2.306 125.139 122.820 0.022 0.000 2.581 310 A HA 0.793 5.113 4.320 -0.000 0.000 0.290 310 A C -1.009 176.588 177.584 0.022 0.000 1.119 310 A CA -0.726 51.317 52.037 0.010 0.000 0.670 310 A CB 1.056 20.052 19.000 -0.006 0.000 1.280 310 A HN 0.820 nan 8.150 nan 0.000 0.425 311 K N 1.309 121.718 120.400 0.014 0.000 2.425 311 K HA 0.583 4.903 4.320 -0.000 0.000 0.259 311 K C -0.767 175.844 176.600 0.017 0.000 0.978 311 K CA -0.368 55.937 56.287 0.029 0.000 0.883 311 K CB 0.480 32.992 32.500 0.019 0.000 1.110 311 K HN 0.613 nan 8.250 nan 0.000 0.436 312 M N 3.082 122.706 119.600 0.040 0.000 2.235 312 M HA 0.206 4.686 4.480 -0.000 0.000 0.351 312 M C 0.349 176.692 176.300 0.072 0.000 1.178 312 M CA -0.562 54.759 55.300 0.035 0.000 1.143 312 M CB 0.241 32.879 32.600 0.063 0.000 1.530 312 M HN 0.718 nan 8.290 nan 0.000 0.461 313 N N 1.069 119.822 118.700 0.088 0.000 2.364 313 N HA 0.134 4.874 4.740 -0.000 0.000 0.264 313 N C 0.144 175.740 175.510 0.144 0.000 1.263 313 N CA -0.404 52.712 53.050 0.110 0.000 0.959 313 N CB 0.462 39.011 38.487 0.102 0.000 1.204 313 N HN 0.419 nan 8.380 nan 0.000 0.550 314 D N -0.769 119.693 120.400 0.103 0.000 2.182 314 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 314 D C 1.501 177.840 176.300 0.065 0.000 0.986 314 D CA 1.590 55.634 54.000 0.074 0.000 0.847 314 D CB -0.552 40.276 40.800 0.045 0.000 0.942 314 D HN 0.707 nan 8.370 nan 0.000 0.467 315 A N -0.622 122.253 122.820 0.090 0.000 2.216 315 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 315 A C 1.184 178.644 177.584 -0.207 0.000 1.160 315 A CA 0.558 52.568 52.037 -0.045 0.000 0.725 315 A CB -0.430 18.543 19.000 -0.046 0.000 0.784 315 A HN 0.139 nan 8.150 nan 0.000 0.472 316 F N -1.734 118.210 119.950 -0.010 0.000 2.683 316 F HA 0.413 4.940 4.527 0.000 0.000 0.306 316 F C 1.597 177.380 175.800 -0.028 0.000 1.102 316 F CA 0.449 58.439 58.000 -0.017 0.000 1.244 316 F CB 0.862 39.855 39.000 -0.010 0.000 1.029 316 F HN 0.291 nan 8.300 nan 0.000 0.545 317 G N -0.495 108.351 108.800 0.077 0.000 2.201 317 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.212 317 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.212 317 G C 1.271 176.185 174.900 0.023 0.000 0.994 317 G CA -0.097 45.015 45.100 0.021 0.000 0.644 317 G HN 1.020 nan 8.290 nan 0.000 0.508 318 G N -0.514 108.328 108.800 0.069 0.000 2.189 318 G HA2 0.139 4.099 3.960 -0.000 0.000 0.267 318 G HA3 0.139 4.099 3.960 -0.000 0.000 0.267 318 G C 1.564 176.506 174.900 0.070 0.000 0.975 318 G CA 1.200 46.346 45.100 0.076 0.000 0.644 318 G HN 2.100 nan 8.290 nan 0.000 0.537 319 G N -0.513 108.282 108.800 -0.008 0.000 2.653 319 G HA2 0.708 4.668 3.960 -0.000 0.000 0.265 319 G HA3 0.708 4.668 3.960 -0.000 0.000 0.265 319 G C 0.328 175.299 174.900 0.118 0.000 1.237 319 G CA 1.075 46.117 45.100 -0.096 0.000 0.946 319 G HN 1.914 nan 8.290 nan 0.000 0.522 320 S N -1.907 113.923 115.700 0.218 0.000 2.587 320 S HA 0.563 5.033 4.470 -0.000 0.000 0.269 320 S C -1.710 172.997 174.600 0.178 0.000 1.154 320 S CA -0.816 57.513 58.200 0.215 0.000 0.824 320 S CB 1.839 65.168 63.200 0.214 0.000 1.118 320 S HN 1.141 nan 8.310 nan 0.000 0.462 321 L N 1.551 122.837 121.223 0.105 0.000 2.404 321 L HA 0.733 5.073 4.340 -0.000 0.000 0.272 321 L C -0.697 176.194 176.870 0.034 0.000 0.980 321 L CA 0.227 55.113 54.840 0.077 0.000 0.836 321 L CB 1.748 43.853 42.059 0.078 0.000 1.238 321 L HN 0.954 nan 8.230 nan 0.000 0.408 322 T N 4.158 118.714 114.554 0.005 0.000 2.829 322 T HA 0.857 5.207 4.350 -0.000 0.000 0.282 322 T C -0.359 174.318 174.700 -0.039 0.000 0.990 322 T CA -0.215 61.871 62.100 -0.023 0.000 1.028 322 T CB 1.391 70.231 68.868 -0.048 0.000 0.951 322 T HN 0.791 nan 8.240 nan 0.000 0.460 323 A N 3.146 125.952 122.820 -0.024 0.000 2.365 323 A HA 0.800 5.120 4.320 -0.000 0.000 0.318 323 A C -0.733 176.830 177.584 -0.035 0.000 1.091 323 A CA -0.760 51.258 52.037 -0.031 0.000 0.763 323 A CB 0.758 19.816 19.000 0.097 0.000 1.248 323 A HN 0.843 nan 8.150 nan 0.000 0.442 324 L N 3.662 124.844 121.223 -0.069 0.000 2.495 324 L HA 0.331 4.671 4.340 -0.000 0.000 0.248 324 L C -2.459 174.385 176.870 -0.042 0.000 1.229 324 L CA -1.707 53.100 54.840 -0.055 0.000 0.942 324 L CB 1.380 43.404 42.059 -0.058 0.000 1.242 324 L HN 0.467 nan 8.230 nan 0.000 0.484 325 P HA 0.183 nan 4.420 nan 0.000 0.274 325 P C -0.532 176.726 177.300 -0.070 0.000 1.231 325 P CA -0.151 62.958 63.100 0.015 0.000 0.790 325 P CB 2.078 33.743 31.700 -0.059 0.000 0.951 326 V N 3.526 123.389 119.914 -0.085 0.000 2.709 326 V HA 0.429 4.549 4.120 -0.000 0.000 0.308 326 V C 0.028 176.059 176.094 -0.104 0.000 1.062 326 V CA -0.580 61.668 62.300 -0.086 0.000 0.901 326 V CB 2.046 33.834 31.823 -0.058 0.000 1.003 326 V HN 0.423 nan 8.190 nan 0.000 0.425 327 I N 3.301 123.810 120.570 -0.101 0.000 2.498 327 I HA 0.431 4.601 4.170 -0.000 0.000 0.290 327 I C -0.117 175.966 176.117 -0.056 0.000 1.032 327 I CA -0.367 60.879 61.300 -0.089 0.000 1.073 327 I CB 2.173 40.105 38.000 -0.114 0.000 1.251 327 I HN 0.749 nan 8.210 nan 0.000 0.426 328 E N 5.169 125.352 120.200 -0.027 0.000 2.146 328 E HA 0.356 4.706 4.350 -0.000 0.000 0.282 328 E C -0.511 176.094 176.600 0.008 0.000 0.989 328 E CA -0.349 56.045 56.400 -0.010 0.000 0.799 328 E CB 1.172 30.876 29.700 0.006 0.000 1.088 328 E HN 0.690 nan 8.360 nan 0.000 0.397 329 T N 1.879 116.439 114.554 0.010 0.000 2.881 329 T HA 0.314 4.664 4.350 -0.000 0.000 0.278 329 T C -0.046 174.674 174.700 0.034 0.000 0.982 329 T CA -1.027 61.092 62.100 0.032 0.000 0.989 329 T CB 1.433 70.327 68.868 0.043 0.000 1.058 329 T HN 0.334 nan 8.240 nan 0.000 0.529 330 Q N 0.493 120.321 119.800 0.046 0.000 2.325 330 Q HA 0.531 4.871 4.340 -0.000 0.000 0.262 330 Q C 0.284 176.306 176.000 0.037 0.000 0.968 330 Q CA -0.311 55.518 55.803 0.042 0.000 0.877 330 Q CB 1.232 30.001 28.738 0.052 0.000 1.253 330 Q HN 1.225 nan 8.270 nan 0.000 0.448 331 A N 2.379 125.214 122.820 0.025 0.000 2.466 331 A HA -0.132 4.188 4.320 -0.000 0.000 0.295 331 A C 1.154 178.750 177.584 0.020 0.000 1.465 331 A CA 1.101 53.149 52.037 0.018 0.000 0.744 331 A CB -2.126 16.889 19.000 0.024 0.000 1.098 331 A HN 1.494 nan 8.150 nan 0.000 0.402 332 G N -0.331 108.482 108.800 0.021 0.000 2.269 332 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.277 332 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.277 332 G C 0.064 174.999 174.900 0.057 0.000 1.008 332 G CA 1.089 46.213 45.100 0.041 0.000 0.774 332 G HN 1.668 nan 8.290 nan 0.000 0.511 333 D N 0.376 120.810 120.400 0.057 0.000 2.508 333 D HA 0.323 4.963 4.640 -0.000 0.000 0.224 333 D C 1.773 178.125 176.300 0.087 0.000 1.171 333 D CA 0.222 54.261 54.000 0.065 0.000 1.006 333 D CB 0.211 41.048 40.800 0.061 0.000 1.073 333 D HN 0.547 nan 8.370 nan 0.000 0.513 334 V N 0.804 120.786 119.914 0.114 0.000 3.623 334 V HA 0.094 4.214 4.120 -0.000 0.000 0.274 334 V C 1.240 177.406 176.094 0.120 0.000 1.244 334 V CA 0.410 62.799 62.300 0.148 0.000 1.182 334 V CB -0.170 31.825 31.823 0.287 0.000 0.925 334 V HN 0.256 nan 8.190 nan 0.000 0.462 335 S N 0.292 116.049 115.700 0.096 0.000 2.539 335 S HA 0.607 5.077 4.470 -0.000 0.000 0.221 335 S C 1.294 175.953 174.600 0.098 0.000 0.987 335 S CA 0.271 58.523 58.200 0.088 0.000 0.929 335 S CB 0.241 63.481 63.200 0.066 0.000 0.832 335 S HN 0.894 nan 8.310 nan 0.000 0.492 336 A N 0.701 123.585 122.820 0.106 0.000 2.387 336 A HA 0.270 4.590 4.320 -0.000 0.000 0.251 336 A C 0.945 178.642 177.584 0.189 0.000 1.113 336 A CA 0.048 52.166 52.037 0.136 0.000 0.794 336 A CB -0.242 18.835 19.000 0.127 0.000 1.069 336 A HN 0.347 nan 8.150 nan 0.000 0.506 337 Y N 0.164 120.493 120.300 0.048 0.000 2.089 337 Y HA -0.184 4.366 4.550 0.000 0.000 0.282 337 Y C 2.000 177.903 175.900 0.004 0.000 1.139 337 Y CA 2.003 60.121 58.100 0.030 0.000 1.123 337 Y CB -0.299 38.184 38.460 0.037 0.000 0.980 337 Y HN 0.446 nan 8.280 nan 0.000 0.493 338 I N 0.599 121.144 120.570 -0.041 0.000 2.202 338 I HA -0.164 4.006 4.170 -0.000 0.000 0.242 338 I C -0.394 175.691 176.117 -0.053 0.000 1.091 338 I CA 1.137 62.336 61.300 -0.169 0.000 1.368 338 I CB -2.864 35.019 38.000 -0.197 0.000 1.058 338 I HN 0.132 nan 8.210 nan 0.000 0.410 339 P HA -0.134 nan 4.420 nan 0.000 0.216 339 P C 1.774 179.088 177.300 0.024 0.000 1.153 339 P CA 2.297 65.399 63.100 0.003 0.000 0.858 339 P CB -0.277 31.445 31.700 0.037 0.000 0.789 340 T N -4.169 110.423 114.554 0.065 0.000 2.942 340 T HA -0.041 4.309 4.350 -0.000 0.000 0.265 340 T C 1.738 176.497 174.700 0.098 0.000 1.062 340 T CA 0.833 62.985 62.100 0.087 0.000 1.139 340 T CB -1.003 67.932 68.868 0.112 0.000 0.883 340 T HN -0.051 nan 8.240 nan 0.000 0.468 341 N N 1.630 120.384 118.700 0.090 0.000 2.025 341 N HA -0.074 4.666 4.740 -0.000 0.000 0.194 341 N C 1.970 177.563 175.510 0.138 0.000 1.044 341 N CA 1.383 54.536 53.050 0.173 0.000 0.851 341 N CB -0.864 37.655 38.487 0.053 0.000 1.036 341 N HN 0.309 nan 8.380 nan 0.000 0.422 342 V N 1.521 121.447 119.914 0.020 0.000 2.515 342 V HA -0.114 4.006 4.120 -0.000 0.000 0.250 342 V C 2.179 178.257 176.094 -0.027 0.000 1.058 342 V CA 0.927 63.193 62.300 -0.057 0.000 1.064 342 V CB -0.413 31.311 31.823 -0.166 0.000 0.675 342 V HN 0.256 nan 8.190 nan 0.000 0.461 343 I N 1.284 121.855 120.570 0.002 0.000 2.361 343 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 343 I C 2.428 178.577 176.117 0.053 0.000 1.133 343 I CA 1.755 63.062 61.300 0.012 0.000 1.413 343 I CB -0.339 37.679 38.000 0.031 0.000 1.073 343 I HN 0.482 nan 8.210 nan 0.000 0.424 344 S N -0.068 115.697 115.700 0.108 0.000 2.562 344 S HA 0.127 4.597 4.470 -0.000 0.000 0.221 344 S C 1.639 176.340 174.600 0.168 0.000 0.975 344 S CA 0.192 58.482 58.200 0.149 0.000 0.918 344 S CB -0.267 63.047 63.200 0.190 0.000 0.772 344 S HN 0.407 nan 8.310 nan 0.000 0.531 345 I N 1.920 122.553 120.570 0.105 0.000 2.685 345 I HA 0.042 4.212 4.170 -0.000 0.000 0.251 345 I C 1.756 177.876 176.117 0.005 0.000 1.102 345 I CA 0.721 62.043 61.300 0.036 0.000 1.442 345 I CB -0.591 37.362 38.000 -0.078 0.000 1.194 345 I HN 0.349 nan 8.210 nan 0.000 0.448 346 T N -1.395 113.148 114.554 -0.019 0.000 2.667 346 T HA 0.024 4.374 4.350 -0.000 0.000 0.305 346 T C 0.355 175.049 174.700 -0.009 0.000 1.022 346 T CA -0.217 61.867 62.100 -0.027 0.000 0.995 346 T CB 0.498 69.334 68.868 -0.052 0.000 1.026 346 T HN 0.080 nan 8.240 nan 0.000 0.527 347 D N 0.238 120.630 120.400 -0.013 0.000 2.525 347 D HA 0.430 5.070 4.640 -0.000 0.000 0.229 347 D C 0.903 177.201 176.300 -0.003 0.000 1.202 347 D CA 0.296 54.294 54.000 -0.003 0.000 0.828 347 D CB 0.031 40.828 40.800 -0.005 0.000 1.008 347 D HN 0.969 nan 8.370 nan 0.000 0.493 348 G N 0.431 109.224 108.800 -0.011 0.000 2.357 348 G HA2 0.219 4.179 3.960 -0.000 0.000 0.289 348 G HA3 0.219 4.179 3.960 -0.000 0.000 0.289 348 G C -1.817 173.053 174.900 -0.049 0.000 1.302 348 G CA -0.899 44.198 45.100 -0.006 0.000 0.936 348 G HN 0.076 nan 8.290 nan 0.000 0.513 349 Q N -1.474 118.289 119.800 -0.062 0.000 2.522 349 Q HA 0.717 5.057 4.340 -0.000 0.000 0.285 349 Q C -1.046 174.876 176.000 -0.129 0.000 0.982 349 Q CA -0.560 55.132 55.803 -0.186 0.000 0.805 349 Q CB 2.270 30.735 28.738 -0.454 0.000 1.457 349 Q HN 0.708 nan 8.270 nan 0.000 0.394 350 I N 1.747 122.218 120.570 -0.164 0.000 2.382 350 I HA 0.415 4.585 4.170 -0.000 0.000 0.285 350 I C -1.059 175.009 176.117 -0.081 0.000 1.007 350 I CA -0.445 60.831 61.300 -0.041 0.000 1.142 350 I CB 0.648 38.640 38.000 -0.013 0.000 1.289 350 I HN 0.437 nan 8.210 nan 0.000 0.453 351 F N 6.523 126.476 119.950 0.005 0.000 2.410 351 F HA 0.425 4.952 4.527 0.000 0.000 0.348 351 F C 0.050 175.852 175.800 0.004 0.000 1.106 351 F CA -0.356 57.645 58.000 0.001 0.000 1.163 351 F CB 0.844 39.844 39.000 0.000 0.000 1.129 351 F HN 0.200 nan 8.300 nan 0.000 0.516 352 L N 3.950 125.270 121.223 0.162 0.000 2.287 352 L HA 0.369 4.709 4.340 -0.000 0.000 0.287 352 L C -0.188 176.732 176.870 0.083 0.000 1.022 352 L CA -0.447 54.456 54.840 0.105 0.000 0.814 352 L CB 1.136 43.225 42.059 0.050 0.000 1.217 352 L HN 0.566 nan 8.230 nan 0.000 0.420 353 E N 1.500 121.741 120.200 0.069 0.000 2.249 353 E HA 0.155 4.505 4.350 -0.000 0.000 0.280 353 E C 0.336 176.907 176.600 -0.048 0.000 1.016 353 E CA -0.342 56.067 56.400 0.016 0.000 0.830 353 E CB 1.757 31.465 29.700 0.013 0.000 1.081 353 E HN 0.540 nan 8.360 nan 0.000 0.395 354 T N 2.637 117.101 114.554 -0.150 0.000 2.833 354 T HA -0.133 4.217 4.350 -0.000 0.000 0.269 354 T C 1.293 175.771 174.700 -0.371 0.000 1.054 354 T CA 0.981 62.847 62.100 -0.389 0.000 1.135 354 T CB 0.069 68.677 68.868 -0.433 0.000 0.869 354 T HN 0.349 nan 8.240 nan 0.000 0.466 355 E N 1.285 121.399 120.200 -0.144 0.000 2.015 355 E HA -0.012 4.338 4.350 -0.000 0.000 0.191 355 E C 2.397 179.020 176.600 0.039 0.000 0.991 355 E CA 0.812 57.190 56.400 -0.037 0.000 0.802 355 E CB -0.648 29.047 29.700 -0.008 0.000 0.759 355 E HN 0.446 nan 8.360 nan 0.000 0.447 356 L N 0.111 121.363 121.223 0.049 0.000 2.013 356 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 356 L C 2.549 179.503 176.870 0.139 0.000 1.073 356 L CA 1.403 56.294 54.840 0.084 0.000 0.753 356 L CB -0.636 41.470 42.059 0.078 0.000 0.890 356 L HN 0.052 nan 8.230 nan 0.000 0.432 357 F N 0.286 120.234 119.950 -0.003 0.000 2.010 357 F HA -0.321 4.206 4.527 -0.000 0.000 0.296 357 F C 2.595 178.516 175.800 0.201 0.000 1.146 357 F CA 1.715 59.757 58.000 0.070 0.000 1.181 357 F CB -0.513 38.512 39.000 0.042 0.000 0.965 357 F HN -0.056 nan 8.300 nan 0.000 0.480 358 Y N 0.576 121.067 120.300 0.318 0.000 2.365 358 Y HA -0.214 4.336 4.550 -0.000 0.000 0.287 358 Y C 2.259 178.194 175.900 0.059 0.000 1.162 358 Y CA 1.244 59.454 58.100 0.183 0.000 1.260 358 Y CB -1.427 37.139 38.460 0.176 0.000 0.976 358 Y HN 0.229 nan 8.280 nan 0.000 0.548 359 K N -0.329 120.188 120.400 0.194 0.000 2.505 359 K HA 0.134 4.454 4.320 -0.000 0.000 0.192 359 K C 1.296 177.918 176.600 0.037 0.000 1.025 359 K CA 0.638 56.984 56.287 0.097 0.000 1.086 359 K CB -0.238 32.312 32.500 0.083 0.000 0.840 359 K HN 0.400 nan 8.250 nan 0.000 0.514 360 G N 1.208 110.002 108.800 -0.010 0.000 2.179 360 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.260 360 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.260 360 G C 0.060 174.910 174.900 -0.083 0.000 0.977 360 G CA 0.048 45.098 45.100 -0.084 0.000 0.641 360 G HN 0.245 nan 8.290 nan 0.000 0.533 361 I N 1.932 122.481 120.570 -0.035 0.000 2.406 361 I HA 0.306 4.476 4.170 -0.000 0.000 0.293 361 I C 0.783 176.884 176.117 -0.027 0.000 1.101 361 I CA 0.340 61.632 61.300 -0.013 0.000 1.334 361 I CB -0.064 37.953 38.000 0.029 0.000 1.421 361 I HN 0.169 nan 8.210 nan 0.000 0.513 362 R N 7.906 128.378 120.500 -0.046 0.000 2.532 362 R HA 0.454 4.794 4.340 -0.000 0.000 0.297 362 R C -2.612 173.683 176.300 -0.007 0.000 0.984 362 R CA -1.731 54.346 56.100 -0.039 0.000 0.884 362 R CB 2.340 32.564 30.300 -0.126 0.000 1.182 362 R HN 0.307 nan 8.270 nan 0.000 0.442 363 P HA 0.040 nan 4.420 nan 0.000 0.271 363 P C -0.369 176.979 177.300 0.081 0.000 1.216 363 P CA -0.207 62.928 63.100 0.059 0.000 0.771 363 P CB 0.974 32.705 31.700 0.053 0.000 0.864 364 A N 4.934 127.837 122.820 0.139 0.000 3.077 364 A HA 0.218 4.538 4.320 -0.000 0.000 0.255 364 A C 0.655 178.308 177.584 0.115 0.000 1.728 364 A CA -0.352 51.770 52.037 0.141 0.000 1.383 364 A CB -1.460 17.685 19.000 0.241 0.000 1.097 364 A HN 0.501 nan 8.150 nan 0.000 0.634 365 I N 0.969 121.596 120.570 0.094 0.000 2.428 365 I HA 0.073 4.243 4.170 -0.000 0.000 0.289 365 I C 0.570 176.742 176.117 0.092 0.000 1.019 365 I CA -0.447 60.911 61.300 0.097 0.000 1.351 365 I CB 1.021 39.071 38.000 0.083 0.000 1.412 365 I HN 0.407 nan 8.210 nan 0.000 0.513 366 N N 6.441 125.207 118.700 0.110 0.000 2.868 366 N HA 0.076 4.816 4.740 -0.000 0.000 0.252 366 N C 0.860 176.411 175.510 0.069 0.000 1.130 366 N CA -0.045 53.045 53.050 0.066 0.000 1.026 366 N CB 0.777 39.278 38.487 0.023 0.000 1.335 366 N HN 0.450 nan 8.380 nan 0.000 0.516 367 V N 2.674 122.627 119.914 0.065 0.000 2.311 367 V HA -0.310 3.810 4.120 -0.000 0.000 0.256 367 V C 2.343 178.465 176.094 0.046 0.000 1.077 367 V CA 2.499 64.837 62.300 0.063 0.000 1.067 367 V CB -0.962 30.896 31.823 0.058 0.000 0.659 367 V HN 0.703 nan 8.190 nan 0.000 0.451 368 G N -1.069 107.739 108.800 0.014 0.000 2.432 368 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.219 368 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.219 368 G C 1.440 176.315 174.900 -0.040 0.000 1.135 368 G CA 0.860 45.951 45.100 -0.014 0.000 0.767 368 G HN 0.531 nan 8.290 nan 0.000 0.550 369 L N 0.526 121.695 121.223 -0.090 0.000 2.513 369 L HA 0.224 4.564 4.340 -0.000 0.000 0.222 369 L C 0.969 177.935 176.870 0.161 0.000 1.096 369 L CA -0.227 54.481 54.840 -0.221 0.000 0.857 369 L CB 0.207 41.772 42.059 -0.824 0.000 1.026 369 L HN -0.036 nan 8.230 nan 0.000 0.469 370 S N 0.565 116.445 115.700 0.299 0.000 2.562 370 S HA 0.376 4.846 4.470 -0.000 0.000 0.281 370 S C -0.032 174.686 174.600 0.197 0.000 1.333 370 S CA -0.410 58.004 58.200 0.356 0.000 1.052 370 S CB 1.265 64.593 63.200 0.212 0.000 0.884 370 S HN 0.079 nan 8.310 nan 0.000 0.506 371 V N 0.394 120.399 119.914 0.152 0.000 3.160 371 V HA 0.880 5.000 4.120 -0.000 0.000 0.310 371 V C -0.332 175.792 176.094 0.050 0.000 1.181 371 V CA -0.907 61.447 62.300 0.091 0.000 1.047 371 V CB 2.056 33.931 31.823 0.087 0.000 1.068 371 V HN 0.673 nan 8.190 nan 0.000 0.441 372 S N -0.317 115.405 115.700 0.036 0.000 2.721 372 S HA 0.431 4.901 4.470 -0.000 0.000 0.264 372 S C 0.628 175.239 174.600 0.017 0.000 1.161 372 S CA -0.688 57.523 58.200 0.019 0.000 1.113 372 S CB 1.095 64.304 63.200 0.015 0.000 1.079 372 S HN 0.779 nan 8.310 nan 0.000 0.479 373 R N 1.844 122.353 120.500 0.015 0.000 2.115 373 R HA 0.009 4.349 4.340 -0.000 0.000 0.230 373 R C 0.938 177.243 176.300 0.010 0.000 1.111 373 R CA 1.533 57.642 56.100 0.015 0.000 0.976 373 R CB -0.135 30.175 30.300 0.016 0.000 0.870 373 R HN 0.523 nan 8.270 nan 0.000 0.445 374 V N -3.395 116.522 119.914 0.004 0.000 2.502 374 V HA 0.569 4.689 4.120 -0.000 0.000 0.261 374 V C 0.154 176.245 176.094 -0.005 0.000 0.996 374 V CA -0.203 62.097 62.300 -0.000 0.000 1.095 374 V CB 0.930 32.752 31.823 -0.002 0.000 1.325 374 V HN 0.186 nan 8.190 nan 0.000 0.574 375 G N 0.585 109.384 108.800 -0.003 0.000 2.659 375 G HA2 0.078 4.038 3.960 -0.000 0.000 0.197 375 G HA3 0.078 4.038 3.960 -0.000 0.000 0.197 375 G C 1.114 176.010 174.900 -0.006 0.000 1.099 375 G CA 0.974 46.069 45.100 -0.008 0.000 0.759 375 G HN 0.500 nan 8.290 nan 0.000 0.715 376 S N 2.021 117.722 115.700 0.001 0.000 2.377 376 S HA -0.208 4.262 4.470 -0.000 0.000 0.224 376 S C 2.791 177.391 174.600 -0.001 0.000 1.042 376 S CA 1.795 59.997 58.200 0.003 0.000 1.086 376 S CB -0.710 62.495 63.200 0.007 0.000 0.995 376 S HN 0.648 nan 8.310 nan 0.000 0.428 377 A N 1.448 124.267 122.820 -0.002 0.000 1.958 377 A HA -0.060 4.260 4.320 -0.000 0.000 0.221 377 A C 2.193 179.771 177.584 -0.011 0.000 1.178 377 A CA 1.989 54.023 52.037 -0.004 0.000 0.642 377 A CB -0.978 18.020 19.000 -0.004 0.000 0.816 377 A HN 0.635 nan 8.150 nan 0.000 0.453 378 A N -1.487 121.322 122.820 -0.018 0.000 2.251 378 A HA 0.201 4.521 4.320 -0.000 0.000 0.209 378 A C 1.125 178.694 177.584 -0.026 0.000 1.187 378 A CA 0.367 52.386 52.037 -0.030 0.000 0.823 378 A CB -0.247 18.728 19.000 -0.043 0.000 0.846 378 A HN 0.659 nan 8.150 nan 0.000 0.486 379 Q N 0.989 120.781 119.800 -0.013 0.000 2.327 379 Q HA 0.267 4.607 4.340 -0.000 0.000 0.254 379 Q C -0.581 175.418 176.000 -0.002 0.000 0.952 379 Q CA -0.287 55.513 55.803 -0.006 0.000 0.884 379 Q CB 0.621 29.361 28.738 0.003 0.000 1.224 379 Q HN 0.400 nan 8.270 nan 0.000 0.422 380 T N 3.119 117.674 114.554 0.002 0.000 2.916 380 T HA 0.011 4.361 4.350 -0.000 0.000 0.303 380 T C 0.904 175.610 174.700 0.011 0.000 1.025 380 T CA -0.465 61.639 62.100 0.006 0.000 1.142 380 T CB 0.801 69.676 68.868 0.012 0.000 0.947 380 T HN 0.654 nan 8.240 nan 0.000 0.544 381 R N 2.623 123.129 120.500 0.009 0.000 2.139 381 R HA -0.124 4.216 4.340 -0.000 0.000 0.243 381 R C 2.353 178.663 176.300 0.018 0.000 1.145 381 R CA 1.926 58.034 56.100 0.013 0.000 0.976 381 R CB -1.174 29.132 30.300 0.010 0.000 0.866 381 R HN 0.815 nan 8.270 nan 0.000 0.449 382 A N 0.152 122.981 122.820 0.015 0.000 1.865 382 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 382 A C 2.172 179.776 177.584 0.033 0.000 1.191 382 A CA 1.860 53.908 52.037 0.018 0.000 0.623 382 A CB -0.491 18.514 19.000 0.007 0.000 0.826 382 A HN 0.319 nan 8.150 nan 0.000 0.444 383 M N -1.256 118.363 119.600 0.030 0.000 2.099 383 M HA -0.099 4.381 4.480 -0.000 0.000 0.262 383 M C 2.046 178.368 176.300 0.037 0.000 1.067 383 M CA 1.729 57.051 55.300 0.036 0.000 1.124 383 M CB -1.023 31.594 32.600 0.029 0.000 1.353 383 M HN 0.272 nan 8.290 nan 0.000 0.410 384 K N 0.510 120.927 120.400 0.029 0.000 2.144 384 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 384 K C 1.980 178.601 176.600 0.035 0.000 1.047 384 K CA 1.613 57.917 56.287 0.027 0.000 0.927 384 K CB -0.305 32.208 32.500 0.021 0.000 0.716 384 K HN 0.493 nan 8.250 nan 0.000 0.454 385 Q N -0.793 119.033 119.800 0.044 0.000 2.020 385 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 385 Q C 2.113 178.157 176.000 0.072 0.000 0.974 385 Q CA 1.843 57.681 55.803 0.058 0.000 0.829 385 Q CB -0.052 28.726 28.738 0.067 0.000 0.894 385 Q HN 0.370 nan 8.270 nan 0.000 0.433 386 V N -2.709 117.258 119.914 0.087 0.000 2.403 386 V HA 0.166 4.286 4.120 -0.000 0.000 0.239 386 V C 2.205 178.334 176.094 0.059 0.000 1.041 386 V CA 1.063 63.420 62.300 0.095 0.000 1.051 386 V CB -1.142 30.776 31.823 0.157 0.000 0.704 386 V HN 0.215 nan 8.190 nan 0.000 0.472 387 A N 1.580 124.433 122.820 0.054 0.000 1.948 387 A HA -0.040 4.280 4.320 -0.000 0.000 0.220 387 A C 2.374 179.976 177.584 0.031 0.000 1.177 387 A CA 2.392 54.453 52.037 0.040 0.000 0.636 387 A CB -1.658 17.364 19.000 0.037 0.000 0.815 387 A HN 0.828 nan 8.150 nan 0.000 0.449 388 G N -0.201 108.618 108.800 0.031 0.000 2.553 388 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.218 388 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.218 388 G C 1.691 176.603 174.900 0.020 0.000 1.195 388 G CA 2.238 47.353 45.100 0.024 0.000 0.779 388 G HN 0.647 nan 8.290 nan 0.000 0.577 389 T N -0.563 114.002 114.554 0.017 0.000 2.915 389 T HA -0.007 4.343 4.350 -0.000 0.000 0.269 389 T C 2.254 176.956 174.700 0.004 0.000 1.071 389 T CA 1.308 63.412 62.100 0.007 0.000 1.132 389 T CB -0.141 68.726 68.868 -0.002 0.000 0.878 389 T HN 0.249 nan 8.240 nan 0.000 0.479 390 M N 0.501 120.106 119.600 0.009 0.000 2.175 390 M HA -0.042 4.438 4.480 -0.000 0.000 0.264 390 M C 2.310 178.619 176.300 0.015 0.000 1.063 390 M CA 1.604 56.907 55.300 0.006 0.000 1.119 390 M CB -0.116 32.492 32.600 0.013 0.000 1.377 390 M HN 0.103 nan 8.290 nan 0.000 0.415 391 K N 0.637 121.050 120.400 0.021 0.000 2.026 391 K HA -0.087 4.233 4.320 -0.000 0.000 0.208 391 K C 1.690 178.306 176.600 0.027 0.000 1.048 391 K CA 1.522 57.825 56.287 0.027 0.000 0.929 391 K CB -0.521 31.995 32.500 0.027 0.000 0.713 391 K HN 0.425 nan 8.250 nan 0.000 0.439 392 L N 0.230 121.465 121.223 0.020 0.000 2.017 392 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 392 L C 2.257 179.141 176.870 0.023 0.000 1.073 392 L CA 1.697 56.548 54.840 0.018 0.000 0.745 392 L CB -0.772 41.294 42.059 0.012 0.000 0.894 392 L HN 0.284 nan 8.230 nan 0.000 0.432 393 E N 0.676 120.886 120.200 0.016 0.000 2.085 393 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 393 E C 2.316 178.949 176.600 0.057 0.000 0.994 393 E CA 1.076 57.487 56.400 0.018 0.000 0.801 393 E CB -0.200 29.492 29.700 -0.013 0.000 0.743 393 E HN 0.436 nan 8.360 nan 0.000 0.453 394 L N 0.364 121.623 121.223 0.061 0.000 2.456 394 L HA -0.099 4.241 4.340 -0.000 0.000 0.224 394 L C 2.270 179.221 176.870 0.135 0.000 1.148 394 L CA 0.335 55.251 54.840 0.127 0.000 0.825 394 L CB -0.195 41.921 42.059 0.095 0.000 0.937 394 L HN 0.153 nan 8.230 nan 0.000 0.450 395 A N -0.414 122.452 122.820 0.077 0.000 1.855 395 A HA -0.172 4.148 4.320 -0.000 0.000 0.213 395 A C 2.176 179.785 177.584 0.041 0.000 1.195 395 A CA 0.896 52.961 52.037 0.046 0.000 0.610 395 A CB -0.291 18.726 19.000 0.028 0.000 0.837 395 A HN 0.374 nan 8.150 nan 0.000 0.444 396 Q N -1.442 118.389 119.800 0.052 0.000 2.014 396 Q HA -0.264 4.076 4.340 -0.000 0.000 0.207 396 Q C 2.047 178.089 176.000 0.070 0.000 0.993 396 Q CA 2.138 57.969 55.803 0.047 0.000 0.850 396 Q CB -0.581 28.186 28.738 0.049 0.000 0.916 396 Q HN 0.777 nan 8.270 nan 0.000 0.417 397 Y N 1.550 121.841 120.300 -0.016 0.000 2.014 397 Y HA -0.346 4.204 4.550 -0.000 0.000 0.272 397 Y C 2.395 178.287 175.900 -0.014 0.000 1.164 397 Y CA 2.158 60.248 58.100 -0.016 0.000 1.114 397 Y CB -0.391 38.059 38.460 -0.016 0.000 0.961 397 Y HN -0.052 nan 8.280 nan 0.000 0.489 398 R N 0.297 120.685 120.500 -0.185 0.000 2.154 398 R HA -0.233 4.107 4.340 -0.000 0.000 0.248 398 R C 2.002 178.177 176.300 -0.208 0.000 1.155 398 R CA 2.136 58.071 56.100 -0.275 0.000 0.979 398 R CB -0.251 29.999 30.300 -0.083 0.000 0.869 398 R HN 0.605 nan 8.270 nan 0.000 0.452 399 E N -0.991 119.137 120.200 -0.120 0.000 2.216 399 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 399 E C 1.783 178.325 176.600 -0.097 0.000 0.988 399 E CA 0.977 57.325 56.400 -0.087 0.000 0.834 399 E CB 0.340 30.013 29.700 -0.045 0.000 0.772 399 E HN 0.148 nan 8.360 nan 0.000 0.479 400 V N 1.110 120.953 119.914 -0.119 0.000 2.492 400 V HA 0.062 4.182 4.120 -0.000 0.000 0.241 400 V C 1.299 177.310 176.094 -0.139 0.000 1.041 400 V CA 0.719 62.962 62.300 -0.095 0.000 1.057 400 V CB -0.363 31.436 31.823 -0.040 0.000 0.711 400 V HN 0.230 nan 8.190 nan 0.000 0.468 411 D N 0.101 120.499 120.400 -0.002 0.000 4.874 411 D HA -0.040 4.600 4.640 -0.000 0.000 0.228 411 D C 0.562 176.861 176.300 -0.003 0.000 1.423 411 D CA 0.834 54.832 54.000 -0.003 0.000 1.130 411 D CB -0.017 40.781 40.800 -0.003 0.000 0.564 411 D HN 0.932 nan 8.370 nan 0.000 0.272 412 A N 4.107 126.924 122.820 -0.006 0.000 1.896 412 A HA 0.019 4.339 4.320 -0.000 0.000 0.220 412 A C 2.493 180.072 177.584 -0.008 0.000 1.206 412 A CA 3.739 55.771 52.037 -0.008 0.000 0.647 412 A CB -1.160 17.834 19.000 -0.010 0.000 0.828 412 A HN 1.461 nan 8.150 nan 0.000 0.455 413 A N -0.521 122.295 122.820 -0.007 0.000 1.848 413 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 413 A C 2.533 180.116 177.584 -0.001 0.000 1.220 413 A CA 3.611 55.644 52.037 -0.006 0.000 0.645 413 A CB -1.795 17.201 19.000 -0.006 0.000 0.842 413 A HN 1.084 nan 8.150 nan 0.000 0.451 414 T N -2.415 112.140 114.554 0.002 0.000 2.803 414 T HA -0.242 4.108 4.350 -0.000 0.000 0.269 414 T C 1.863 176.573 174.700 0.018 0.000 1.052 414 T CA 1.783 63.889 62.100 0.011 0.000 1.136 414 T CB -0.502 68.370 68.868 0.007 0.000 0.864 414 T HN 0.588 nan 8.240 nan 0.000 0.467 415 Q N 0.739 120.544 119.800 0.009 0.000 2.045 415 Q HA -0.206 4.134 4.340 -0.000 0.000 0.206 415 Q C 2.612 178.615 176.000 0.005 0.000 0.991 415 Q CA 2.043 57.851 55.803 0.009 0.000 0.851 415 Q CB -0.314 28.424 28.738 -0.001 0.000 0.911 415 Q HN 0.684 nan 8.270 nan 0.000 0.418 416 Q N 0.249 120.046 119.800 -0.006 0.000 2.133 416 Q HA -0.222 4.118 4.340 -0.000 0.000 0.208 416 Q C 2.015 178.007 176.000 -0.013 0.000 0.991 416 Q CA 1.402 57.194 55.803 -0.019 0.000 0.867 416 Q CB -0.110 28.612 28.738 -0.026 0.000 0.911 416 Q HN 0.405 nan 8.270 nan 0.000 0.417 417 L N -0.076 121.155 121.223 0.013 0.000 2.093 417 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 417 L C 2.335 179.260 176.870 0.090 0.000 1.085 417 L CA 0.678 55.543 54.840 0.043 0.000 0.755 417 L CB -0.387 41.710 42.059 0.063 0.000 0.904 417 L HN 0.261 nan 8.230 nan 0.000 0.435 418 L N -1.043 120.246 121.223 0.110 0.000 2.093 418 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 418 L C 2.743 179.624 176.870 0.018 0.000 1.085 418 L CA 0.868 55.810 54.840 0.170 0.000 0.755 418 L CB -0.478 41.657 42.059 0.126 0.000 0.904 418 L HN 0.144 nan 8.230 nan 0.000 0.435 419 S N -0.669 115.017 115.700 -0.023 0.000 2.348 419 S HA -0.134 4.336 4.470 -0.000 0.000 0.221 419 S C 2.148 176.668 174.600 -0.134 0.000 1.033 419 S CA 0.989 59.147 58.200 -0.069 0.000 1.010 419 S CB -0.152 63.013 63.200 -0.059 0.000 0.891 419 S HN 0.282 nan 8.310 nan 0.000 0.442 420 R N 0.663 121.082 120.500 -0.135 0.000 2.083 420 R HA -0.083 4.257 4.340 -0.000 0.000 0.237 420 R C 2.527 178.651 176.300 -0.294 0.000 1.137 420 R CA 1.420 57.416 56.100 -0.173 0.000 0.951 420 R CB -1.418 28.805 30.300 -0.127 0.000 0.851 420 R HN 0.506 nan 8.270 nan 0.000 0.434 421 G N 1.117 109.636 108.800 -0.469 0.000 2.631 421 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.219 421 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.219 421 G C 1.539 175.833 174.900 -1.011 0.000 1.214 421 G CA 2.327 46.718 45.100 -1.182 0.000 0.785 421 G HN 0.322 nan 8.290 nan 0.000 0.596 422 V N -0.715 118.763 119.914 -0.727 0.000 2.380 422 V HA -0.181 3.939 4.120 -0.000 0.000 0.251 422 V C 2.805 178.771 176.094 -0.213 0.000 1.063 422 V CA 2.181 64.286 62.300 -0.324 0.000 1.055 422 V CB -0.685 31.051 31.823 -0.144 0.000 0.657 422 V HN 0.215 nan 8.190 nan 0.000 0.455 423 R N 1.024 121.395 120.500 -0.215 0.000 2.064 423 R HA 0.127 4.467 4.340 -0.000 0.000 0.228 423 R C 2.462 178.680 176.300 -0.137 0.000 1.144 423 R CA 1.683 57.690 56.100 -0.155 0.000 0.932 423 R CB -1.413 28.791 30.300 -0.160 0.000 0.833 423 R HN 0.509 nan 8.270 nan 0.000 0.429 424 L N 0.975 122.105 121.223 -0.156 0.000 2.089 424 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 424 L C 2.348 179.169 176.870 -0.082 0.000 1.079 424 L CA 1.868 56.644 54.840 -0.107 0.000 0.758 424 L CB -1.104 40.892 42.059 -0.105 0.000 0.891 424 L HN 0.249 nan 8.230 nan 0.000 0.433 425 T N -1.130 113.353 114.554 -0.118 0.000 2.833 425 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 425 T C 1.786 176.469 174.700 -0.029 0.000 1.054 425 T CA 1.077 63.144 62.100 -0.054 0.000 1.135 425 T CB -0.118 68.722 68.868 -0.048 0.000 0.869 425 T HN 0.318 nan 8.240 nan 0.000 0.466 426 E N 1.161 121.336 120.200 -0.043 0.000 2.106 426 E HA 0.038 4.388 4.350 -0.000 0.000 0.192 426 E C 2.267 178.866 176.600 -0.001 0.000 0.984 426 E CA 0.610 57.000 56.400 -0.017 0.000 0.806 426 E CB -0.404 29.283 29.700 -0.021 0.000 0.750 426 E HN 0.474 nan 8.360 nan 0.000 0.458 427 L N 0.481 121.700 121.223 -0.007 0.000 2.201 427 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 427 L C 2.300 179.184 176.870 0.023 0.000 1.105 427 L CA 0.606 55.456 54.840 0.017 0.000 0.775 427 L CB -0.345 41.723 42.059 0.015 0.000 0.913 427 L HN 0.079 nan 8.230 nan 0.000 0.440 428 L N -0.814 120.418 121.223 0.016 0.000 2.478 428 L HA -0.039 4.301 4.340 -0.000 0.000 0.223 428 L C 0.902 177.786 176.870 0.022 0.000 1.140 428 L CA 0.337 55.190 54.840 0.023 0.000 0.842 428 L CB -0.540 41.534 42.059 0.025 0.000 0.953 428 L HN 0.133 nan 8.230 nan 0.000 0.452 429 K N 1.773 122.184 120.400 0.018 0.000 2.401 429 K HA 0.190 4.510 4.320 -0.000 0.000 0.278 429 K C -0.190 176.418 176.600 0.014 0.000 1.018 429 K CA 0.244 56.539 56.287 0.014 0.000 0.981 429 K CB 0.938 33.444 32.500 0.011 0.000 0.933 429 K HN 0.060 nan 8.250 nan 0.000 0.477 430 Q N 0.665 120.469 119.800 0.006 0.000 2.391 430 Q HA 0.382 4.722 4.340 -0.000 0.000 0.279 430 Q C -0.800 175.192 176.000 -0.014 0.000 1.028 430 Q CA -0.648 55.157 55.803 0.003 0.000 0.836 430 Q CB 1.852 30.595 28.738 0.008 0.000 1.414 430 Q HN 0.754 nan 8.270 nan 0.000 0.397 431 G N 1.140 109.931 108.800 -0.014 0.000 2.563 431 G HA2 0.280 4.240 3.960 -0.000 0.000 0.283 431 G HA3 0.280 4.240 3.960 -0.000 0.000 0.283 431 G C -0.950 173.908 174.900 -0.070 0.000 1.309 431 G CA -0.274 44.806 45.100 -0.033 0.000 1.022 431 G HN 0.589 nan 8.290 nan 0.000 0.501 432 Q N -1.660 118.065 119.800 -0.126 0.000 2.235 432 Q HA 0.407 4.747 4.340 -0.000 0.000 0.256 432 Q C -0.762 175.118 176.000 -0.199 0.000 0.951 432 Q CA -0.643 54.968 55.803 -0.321 0.000 0.890 432 Q CB 0.822 29.202 28.738 -0.597 0.000 1.279 432 Q HN 0.530 nan 8.270 nan 0.000 0.444 433 Y N -0.845 119.465 120.300 0.017 0.000 4.668 433 Y HA -0.250 4.300 4.550 -0.000 0.000 0.234 433 Y C -0.387 175.518 175.900 0.007 0.000 1.056 433 Y CA 0.901 59.007 58.100 0.009 0.000 2.025 433 Y CB -2.251 36.212 38.460 0.004 0.000 1.613 433 Y HN 0.394 nan 8.280 nan 0.000 0.653 434 S N -0.381 115.377 115.700 0.097 0.000 2.204 434 S HA 0.422 4.892 4.470 -0.000 0.000 0.147 434 S C -2.589 172.032 174.600 0.035 0.000 1.711 434 S CA -1.083 57.156 58.200 0.064 0.000 1.274 434 S CB 1.378 64.607 63.200 0.049 0.000 1.257 434 S HN -0.031 nan 8.310 nan 0.000 0.404 435 P HA 0.176 nan 4.420 nan 0.000 0.267 435 P C -0.450 176.855 177.300 0.009 0.000 1.205 435 P CA 0.100 63.218 63.100 0.030 0.000 0.765 435 P CB 0.360 32.089 31.700 0.048 0.000 0.828 436 M N 1.983 121.586 119.600 0.005 0.000 2.277 436 M HA 0.470 4.950 4.480 -0.000 0.000 0.350 436 M C 0.699 176.986 176.300 -0.022 0.000 1.180 436 M CA -0.665 54.627 55.300 -0.013 0.000 1.103 436 M CB 1.456 34.052 32.600 -0.006 0.000 1.577 436 M HN 0.346 nan 8.290 nan 0.000 0.459 437 A N 1.745 124.534 122.820 -0.053 0.000 2.366 437 A HA 0.207 4.527 4.320 -0.000 0.000 0.249 437 A C 0.886 178.449 177.584 -0.034 0.000 1.084 437 A CA -0.395 51.599 52.037 -0.071 0.000 0.794 437 A CB 0.136 19.069 19.000 -0.111 0.000 1.034 437 A HN 0.968 nan 8.150 nan 0.000 0.491 438 I N 0.260 120.821 120.570 -0.015 0.000 2.286 438 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 438 I C 2.426 178.535 176.117 -0.012 0.000 1.115 438 I CA 2.251 63.555 61.300 0.008 0.000 1.392 438 I CB -0.318 37.705 38.000 0.037 0.000 1.065 438 I HN 0.825 nan 8.210 nan 0.000 0.418 439 E N 0.939 121.117 120.200 -0.036 0.000 2.110 439 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 439 E C 1.714 178.277 176.600 -0.061 0.000 0.988 439 E CA 1.858 58.227 56.400 -0.051 0.000 0.804 439 E CB -0.838 28.820 29.700 -0.070 0.000 0.745 439 E HN 0.699 nan 8.360 nan 0.000 0.458 440 E N 1.184 121.343 120.200 -0.068 0.000 2.072 440 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 440 E C 2.364 178.947 176.600 -0.028 0.000 0.985 440 E CA 1.032 57.384 56.400 -0.079 0.000 0.801 440 E CB -0.258 29.384 29.700 -0.096 0.000 0.750 440 E HN 0.373 nan 8.360 nan 0.000 0.452 441 Q N 0.872 120.669 119.800 -0.005 0.000 2.077 441 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 441 Q C 2.702 178.733 176.000 0.052 0.000 0.989 441 Q CA 2.123 57.942 55.803 0.027 0.000 0.853 441 Q CB -0.534 28.220 28.738 0.028 0.000 0.907 441 Q HN 0.400 nan 8.270 nan 0.000 0.418 442 V N -1.646 118.291 119.914 0.039 0.000 2.515 442 V HA -0.154 3.966 4.120 -0.000 0.000 0.250 442 V C 2.162 178.322 176.094 0.109 0.000 1.058 442 V CA 1.573 63.913 62.300 0.067 0.000 1.064 442 V CB -1.136 30.710 31.823 0.037 0.000 0.675 442 V HN 0.291 nan 8.190 nan 0.000 0.461 443 A N 1.808 124.664 122.820 0.061 0.000 1.841 443 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 443 A C 2.552 180.340 177.584 0.339 0.000 1.199 443 A CA 3.413 55.516 52.037 0.111 0.000 0.621 443 A CB -1.315 17.652 19.000 -0.054 0.000 0.835 443 A HN 1.262 nan 8.150 nan 0.000 0.445 444 V N -1.502 118.584 119.914 0.287 0.000 2.287 444 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 444 V C 2.201 178.437 176.094 0.236 0.000 1.053 444 V CA 2.098 64.608 62.300 0.351 0.000 1.027 444 V CB -1.133 30.823 31.823 0.222 0.000 0.646 444 V HN 0.367 nan 8.190 nan 0.000 0.447 445 I N 0.180 120.854 120.570 0.174 0.000 2.163 445 I HA -0.185 3.985 4.170 -0.000 0.000 0.243 445 I C 2.499 178.713 176.117 0.160 0.000 1.085 445 I CA 1.693 63.070 61.300 0.128 0.000 1.347 445 I CB -1.839 36.221 38.000 0.100 0.000 1.044 445 I HN 0.514 nan 8.210 nan 0.000 0.408 446 Y N 1.954 122.306 120.300 0.086 0.000 2.102 446 Y HA -0.359 4.191 4.550 0.000 0.000 0.280 446 Y C 2.559 178.533 175.900 0.124 0.000 1.178 446 Y CA 2.271 60.429 58.100 0.097 0.000 1.146 446 Y CB -0.560 37.964 38.460 0.106 0.000 0.968 446 Y HN 0.153 nan 8.280 nan 0.000 0.504 447 A N 0.282 123.233 122.820 0.219 0.000 1.870 447 A HA -0.296 4.024 4.320 -0.000 0.000 0.219 447 A C 2.548 180.132 177.584 0.000 0.000 1.224 447 A CA 2.615 54.704 52.037 0.088 0.000 0.650 447 A CB -1.857 17.097 19.000 -0.077 0.000 0.836 447 A HN 0.649 nan 8.150 nan 0.000 0.454 448 G N -1.378 107.389 108.800 -0.056 0.000 2.422 448 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.218 448 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.218 448 G C 1.492 176.317 174.900 -0.125 0.000 1.146 448 G CA 1.214 46.248 45.100 -0.110 0.000 0.769 448 G HN 0.383 nan 8.290 nan 0.000 0.547 449 V N 0.635 120.485 119.914 -0.107 0.000 2.427 449 V HA -0.073 4.047 4.120 -0.000 0.000 0.248 449 V C 2.916 178.894 176.094 -0.193 0.000 1.051 449 V CA 1.424 63.651 62.300 -0.122 0.000 1.048 449 V CB -0.309 31.470 31.823 -0.075 0.000 0.666 449 V HN 0.219 nan 8.190 nan 0.000 0.456 450 R N -0.180 120.146 120.500 -0.290 0.000 2.153 450 R HA 0.101 4.441 4.340 -0.000 0.000 0.218 450 R C 1.821 177.853 176.300 -0.447 0.000 1.072 450 R CA 1.054 56.919 56.100 -0.391 0.000 0.990 450 R CB -0.332 29.652 30.300 -0.528 0.000 0.889 450 R HN 0.612 nan 8.270 nan 0.000 0.452 451 G N -0.605 107.959 108.800 -0.394 0.000 2.227 451 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.168 451 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.168 451 G C 0.245 174.921 174.900 -0.373 0.000 1.006 451 G CA -0.232 44.648 45.100 -0.367 0.000 0.684 451 G HN 0.292 nan 8.290 nan 0.000 0.489 452 Y N 0.887 121.056 120.300 -0.217 0.000 2.715 452 Y HA 0.336 4.886 4.550 -0.000 0.000 0.332 452 Y C 2.132 177.817 175.900 -0.359 0.000 1.213 452 Y CA 1.010 58.977 58.100 -0.222 0.000 1.304 452 Y CB -0.118 38.236 38.460 -0.177 0.000 1.041 452 Y HN 0.360 nan 8.280 nan 0.000 0.502 453 L N -1.621 119.451 121.223 -0.252 0.000 3.217 453 L HA 0.129 4.469 4.340 -0.000 0.000 0.288 453 L C 0.892 177.631 176.870 -0.218 0.000 1.202 453 L CA -0.046 54.592 54.840 -0.338 0.000 1.027 453 L CB 0.302 42.130 42.059 -0.385 0.000 1.427 453 L HN -0.001 nan 8.230 nan 0.000 0.600 454 D N 1.603 121.893 120.400 -0.182 0.000 2.123 454 D HA -0.226 4.414 4.640 -0.000 0.000 0.196 454 D C 1.980 178.217 176.300 -0.105 0.000 0.992 454 D CA 1.468 55.384 54.000 -0.141 0.000 0.833 454 D CB 0.231 40.947 40.800 -0.140 0.000 0.954 454 D HN 0.289 nan 8.370 nan 0.000 0.455 455 K N -0.176 120.168 120.400 -0.094 0.000 2.243 455 K HA -0.040 4.280 4.320 -0.000 0.000 0.201 455 K C 0.769 177.344 176.600 -0.043 0.000 1.051 455 K CA -0.150 56.103 56.287 -0.056 0.000 0.970 455 K CB 0.010 32.488 32.500 -0.037 0.000 0.755 455 K HN -0.044 nan 8.250 nan 0.000 0.465 456 L N 2.762 123.945 121.223 -0.066 0.000 2.461 456 L HA 0.044 4.384 4.340 -0.000 0.000 0.272 456 L C -0.464 176.387 176.870 -0.031 0.000 1.197 456 L CA 0.540 55.359 54.840 -0.034 0.000 0.836 456 L CB 0.832 42.819 42.059 -0.120 0.000 1.105 456 L HN 0.164 nan 8.230 nan 0.000 0.477 457 E N 5.719 125.927 120.200 0.013 0.000 2.301 457 E HA 0.140 4.490 4.350 -0.000 0.000 0.275 457 E C -1.645 174.960 176.600 0.009 0.000 1.030 457 E CA -1.511 54.893 56.400 0.007 0.000 0.852 457 E CB 0.816 30.528 29.700 0.020 0.000 1.060 457 E HN 0.487 nan 8.360 nan 0.000 0.401 458 P HA -0.293 nan 4.420 nan 0.000 0.218 458 P C 1.478 178.789 177.300 0.019 0.000 1.152 458 P CA 1.469 64.564 63.100 -0.009 0.000 0.857 458 P CB 0.107 31.800 31.700 -0.012 0.000 0.787 459 S N -0.947 114.774 115.700 0.034 0.000 2.399 459 S HA -0.144 4.326 4.470 -0.000 0.000 0.231 459 S C 1.629 176.282 174.600 0.088 0.000 1.022 459 S CA 1.132 59.362 58.200 0.051 0.000 0.983 459 S CB -0.688 62.539 63.200 0.045 0.000 0.803 459 S HN 0.003 nan 8.310 nan 0.000 0.480 460 K N 0.777 121.250 120.400 0.121 0.000 2.374 460 K HA 0.300 4.620 4.320 -0.000 0.000 0.196 460 K C 1.565 178.294 176.600 0.215 0.000 1.023 460 K CA -0.106 56.318 56.287 0.229 0.000 1.103 460 K CB -0.150 32.552 32.500 0.337 0.000 0.848 460 K HN 0.425 nan 8.250 nan 0.000 0.528 461 I N 1.016 121.644 120.570 0.096 0.000 2.315 461 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 461 I C 1.747 177.927 176.117 0.104 0.000 1.117 461 I CA 1.379 62.700 61.300 0.036 0.000 1.404 461 I CB -1.188 36.796 38.000 -0.027 0.000 1.071 461 I HN 0.069 nan 8.210 nan 0.000 0.419 462 T N 0.842 115.459 114.554 0.105 0.000 2.737 462 T HA -0.187 4.163 4.350 -0.000 0.000 0.265 462 T C 1.980 176.769 174.700 0.148 0.000 1.038 462 T CA 1.379 63.544 62.100 0.108 0.000 1.144 462 T CB -0.131 68.784 68.868 0.078 0.000 0.866 462 T HN 0.287 nan 8.240 nan 0.000 0.434 463 K N 0.243 120.759 120.400 0.192 0.000 2.044 463 K HA -0.169 4.151 4.320 -0.000 0.000 0.210 463 K C 2.105 178.856 176.600 0.252 0.000 1.049 463 K CA 1.509 57.948 56.287 0.253 0.000 0.927 463 K CB -0.390 32.321 32.500 0.352 0.000 0.713 463 K HN 0.319 nan 8.250 nan 0.000 0.443 464 F N 2.149 122.081 119.950 -0.029 0.000 2.102 464 F HA -0.189 4.338 4.527 0.000 0.000 0.298 464 F C 2.353 178.090 175.800 -0.105 0.000 1.105 464 F CA 2.020 59.775 58.000 -0.409 0.000 1.239 464 F CB -0.296 38.358 39.000 -0.577 0.000 0.991 464 F HN 0.212 nan 8.300 nan 0.000 0.474 465 E N 0.314 120.672 120.200 0.263 0.000 2.033 465 E HA -0.315 4.035 4.350 -0.000 0.000 0.199 465 E C 1.903 178.561 176.600 0.097 0.000 1.011 465 E CA 2.071 58.610 56.400 0.232 0.000 0.815 465 E CB -0.401 29.408 29.700 0.182 0.000 0.755 465 E HN 0.576 nan 8.360 nan 0.000 0.451 466 N N 0.143 118.888 118.700 0.075 0.000 2.104 466 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 466 N C 1.714 177.233 175.510 0.016 0.000 1.024 466 N CA 1.472 54.547 53.050 0.042 0.000 0.853 466 N CB -0.199 38.327 38.487 0.064 0.000 1.008 466 N HN 0.224 nan 8.380 nan 0.000 0.424 467 A N 0.361 123.201 122.820 0.035 0.000 1.897 467 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 467 A C 1.956 179.499 177.584 -0.068 0.000 1.181 467 A CA 0.835 52.920 52.037 0.080 0.000 0.620 467 A CB -0.814 18.333 19.000 0.244 0.000 0.821 467 A HN 0.402 nan 8.150 nan 0.000 0.443 468 F N 0.090 119.697 119.950 -0.573 0.000 2.234 468 F HA -0.052 4.475 4.527 -0.000 0.000 0.299 468 F C 1.660 177.173 175.800 -0.478 0.000 1.087 468 F CA 1.219 58.592 58.000 -1.045 0.000 1.340 468 F CB -0.205 38.015 39.000 -1.300 0.000 1.031 468 F HN 0.181 nan 8.300 nan 0.000 0.500 469 L N 0.680 121.658 121.223 -0.409 0.000 2.005 469 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 469 L C 2.838 179.526 176.870 -0.304 0.000 1.072 469 L CA 2.340 56.944 54.840 -0.394 0.000 0.744 469 L CB -1.405 40.552 42.059 -0.170 0.000 0.895 469 L HN 0.340 nan 8.230 nan 0.000 0.433 470 S N -1.701 113.900 115.700 -0.165 0.000 2.400 470 S HA -0.296 4.174 4.470 -0.000 0.000 0.232 470 S C 2.140 176.689 174.600 -0.084 0.000 1.025 470 S CA 1.298 59.441 58.200 -0.095 0.000 0.993 470 S CB -1.089 62.097 63.200 -0.024 0.000 0.808 470 S HN 0.720 nan 8.310 nan 0.000 0.478 471 H N 2.178 121.123 119.070 -0.209 0.000 2.253 471 H HA -0.118 4.438 4.556 -0.000 0.000 0.296 471 H C 2.405 177.632 175.328 -0.168 0.000 1.067 471 H CA 2.681 58.639 56.048 -0.150 0.000 1.245 471 H CB -0.478 29.168 29.762 -0.193 0.000 1.364 471 H HN 0.411 nan 8.280 nan 0.000 0.494 472 V N -0.070 119.528 119.914 -0.526 0.000 2.282 472 V HA -0.258 3.862 4.120 -0.000 0.000 0.249 472 V C 2.775 178.695 176.094 -0.291 0.000 1.057 472 V CA 2.042 64.055 62.300 -0.479 0.000 1.032 472 V CB -1.177 30.269 31.823 -0.628 0.000 0.645 472 V HN 0.372 nan 8.190 nan 0.000 0.447 473 I N 1.191 121.598 120.570 -0.272 0.000 2.069 473 I HA -0.301 3.869 4.170 -0.000 0.000 0.237 473 I C 3.021 179.046 176.117 -0.153 0.000 1.053 473 I CA 2.517 63.706 61.300 -0.185 0.000 1.311 473 I CB -0.595 37.311 38.000 -0.157 0.000 1.030 473 I HN 0.545 nan 8.210 nan 0.000 0.398 474 S N 0.317 115.930 115.700 -0.145 0.000 2.354 474 S HA -0.235 4.235 4.470 -0.000 0.000 0.219 474 S C 1.874 176.378 174.600 -0.159 0.000 1.035 474 S CA 1.362 59.489 58.200 -0.121 0.000 1.037 474 S CB -0.245 62.907 63.200 -0.080 0.000 0.956 474 S HN 0.391 nan 8.310 nan 0.000 0.428 475 Q N -0.211 119.457 119.800 -0.221 0.000 2.444 475 Q HA 0.124 4.464 4.340 -0.000 0.000 0.206 475 Q C -0.060 175.610 176.000 -0.550 0.000 0.948 475 Q CA 0.578 56.187 55.803 -0.324 0.000 0.946 475 Q CB 0.008 28.559 28.738 -0.310 0.000 1.027 475 Q HN 0.804 nan 8.270 nan 0.000 0.513 476 H N -0.752 118.170 119.070 -0.247 0.000 3.074 476 H HA 0.167 4.723 4.556 -0.000 0.000 0.227 476 H C 0.868 176.095 175.328 -0.169 0.000 1.365 476 H CA -0.143 55.783 56.048 -0.203 0.000 1.078 476 H CB 0.655 30.271 29.762 -0.242 0.000 2.347 476 H HN -0.045 nan 8.280 nan 0.000 0.567 477 Q N 0.549 120.294 119.800 -0.091 0.000 2.112 477 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 477 Q C 2.321 178.285 176.000 -0.061 0.000 0.987 477 Q CA 1.504 57.258 55.803 -0.082 0.000 0.858 477 Q CB -0.159 28.527 28.738 -0.086 0.000 0.905 477 Q HN 0.620 nan 8.270 nan 0.000 0.420 478 A N 1.820 124.609 122.820 -0.052 0.000 1.852 478 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 478 A C 2.099 179.664 177.584 -0.030 0.000 1.215 478 A CA 1.664 53.679 52.037 -0.037 0.000 0.641 478 A CB -1.124 17.860 19.000 -0.027 0.000 0.838 478 A HN 0.400 nan 8.150 nan 0.000 0.450 479 L N -0.194 121.022 121.223 -0.011 0.000 2.034 479 L HA -0.229 4.111 4.340 -0.000 0.000 0.217 479 L C 2.511 179.341 176.870 -0.067 0.000 1.077 479 L CA 2.331 57.149 54.840 -0.037 0.000 0.769 479 L CB -0.881 41.151 42.059 -0.045 0.000 0.890 479 L HN 0.519 nan 8.230 nan 0.000 0.435 480 L N -0.663 120.515 121.223 -0.075 0.000 2.017 480 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 480 L C 2.674 179.502 176.870 -0.070 0.000 1.073 480 L CA 1.479 56.266 54.840 -0.088 0.000 0.745 480 L CB -1.335 40.663 42.059 -0.103 0.000 0.894 480 L HN 0.388 nan 8.230 nan 0.000 0.432 481 G N 0.144 108.907 108.800 -0.061 0.000 2.442 481 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 481 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 481 G C 1.691 176.565 174.900 -0.043 0.000 1.141 481 G CA 0.657 45.725 45.100 -0.052 0.000 0.763 481 G HN 0.338 nan 8.290 nan 0.000 0.554 482 K N 0.006 120.381 120.400 -0.041 0.000 2.026 482 K HA 0.052 4.372 4.320 -0.000 0.000 0.208 482 K C 2.419 178.998 176.600 -0.035 0.000 1.048 482 K CA 1.066 57.332 56.287 -0.034 0.000 0.929 482 K CB -0.274 32.206 32.500 -0.033 0.000 0.713 482 K HN 0.305 nan 8.250 nan 0.000 0.439 483 I N 0.790 121.333 120.570 -0.046 0.000 2.208 483 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 483 I C 2.734 178.831 176.117 -0.033 0.000 1.097 483 I CA 1.172 62.445 61.300 -0.045 0.000 1.363 483 I CB -0.255 37.708 38.000 -0.063 0.000 1.051 483 I HN 0.180 nan 8.210 nan 0.000 0.413 484 R N 0.398 120.876 120.500 -0.038 0.000 2.080 484 R HA -0.169 4.171 4.340 -0.000 0.000 0.236 484 R C 2.322 178.611 176.300 -0.018 0.000 1.137 484 R CA 2.236 58.319 56.100 -0.030 0.000 0.943 484 R CB -0.293 29.981 30.300 -0.043 0.000 0.846 484 R HN 0.265 nan 8.270 nan 0.000 0.431 485 T N 0.623 115.165 114.554 -0.021 0.000 2.904 485 T HA -0.072 4.278 4.350 -0.000 0.000 0.267 485 T C 0.769 175.464 174.700 -0.009 0.000 1.059 485 T CA 1.434 63.526 62.100 -0.013 0.000 1.137 485 T CB -0.111 68.747 68.868 -0.016 0.000 0.879 485 T HN 0.318 nan 8.240 nan 0.000 0.467 486 D N 0.276 120.668 120.400 -0.012 0.000 2.348 486 D HA 0.185 4.825 4.640 -0.000 0.000 0.211 486 D C 1.764 178.061 176.300 -0.005 0.000 0.998 486 D CA 0.629 54.624 54.000 -0.008 0.000 0.873 486 D CB -0.530 40.263 40.800 -0.011 0.000 0.925 486 D HN 0.421 nan 8.370 nan 0.000 0.524 487 G N 1.112 109.909 108.800 -0.006 0.000 2.200 487 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.267 487 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.267 487 G C 0.457 175.357 174.900 -0.000 0.000 0.993 487 G CA 1.189 46.289 45.100 -0.001 0.000 0.701 487 G HN 0.488 nan 8.290 nan 0.000 0.524 488 K N -0.736 119.661 120.400 -0.005 0.000 2.482 488 K HA 0.699 5.019 4.320 -0.000 0.000 0.257 488 K C -0.392 176.201 176.600 -0.011 0.000 0.969 488 K CA -1.318 54.968 56.287 -0.002 0.000 0.842 488 K CB 1.133 33.634 32.500 0.002 0.000 1.359 488 K HN 0.006 nan 8.250 nan 0.000 0.441 489 I N 3.642 124.208 120.570 -0.007 0.000 2.316 489 I HA 0.073 4.243 4.170 -0.000 0.000 0.286 489 I C 0.220 176.332 176.117 -0.008 0.000 1.107 489 I CA -0.458 60.828 61.300 -0.024 0.000 1.219 489 I CB 0.855 38.837 38.000 -0.030 0.000 1.455 489 I HN 0.582 nan 8.210 nan 0.000 0.498 490 S N 3.431 119.124 115.700 -0.013 0.000 2.579 490 S HA 0.091 4.561 4.470 -0.000 0.000 0.275 490 S C 1.140 175.740 174.600 0.001 0.000 1.345 490 S CA -0.312 57.886 58.200 -0.003 0.000 1.031 490 S CB 1.116 64.312 63.200 -0.006 0.000 0.892 490 S HN 0.624 nan 8.310 nan 0.000 0.529 491 E N 0.906 121.113 120.200 0.011 0.000 2.136 491 E HA -0.263 4.087 4.350 -0.000 0.000 0.202 491 E C 1.924 178.532 176.600 0.013 0.000 1.019 491 E CA 1.671 58.082 56.400 0.019 0.000 0.819 491 E CB -0.152 29.560 29.700 0.021 0.000 0.739 491 E HN 0.829 nan 8.360 nan 0.000 0.458 492 E N 0.656 120.860 120.200 0.006 0.000 2.038 492 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 492 E C 2.199 178.794 176.600 -0.008 0.000 1.000 492 E CA 1.255 57.656 56.400 0.002 0.000 0.803 492 E CB -0.074 29.625 29.700 -0.000 0.000 0.750 492 E HN 0.046 nan 8.360 nan 0.000 0.448 493 S N 0.822 116.509 115.700 -0.022 0.000 2.370 493 S HA -0.182 4.288 4.470 -0.000 0.000 0.226 493 S C 1.578 176.136 174.600 -0.070 0.000 1.033 493 S CA 1.420 59.591 58.200 -0.049 0.000 1.011 493 S CB -0.427 62.737 63.200 -0.060 0.000 0.852 493 S HN 0.346 nan 8.310 nan 0.000 0.457 494 D N 1.422 121.795 120.400 -0.046 0.000 2.103 494 D HA -0.113 4.527 4.640 -0.000 0.000 0.190 494 D C 2.043 178.349 176.300 0.009 0.000 0.997 494 D CA 1.649 55.631 54.000 -0.031 0.000 0.833 494 D CB -0.466 40.362 40.800 0.046 0.000 0.961 494 D HN 0.303 nan 8.370 nan 0.000 0.447 495 A N 0.458 123.296 122.820 0.031 0.000 1.908 495 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 495 A C 2.152 179.754 177.584 0.030 0.000 1.181 495 A CA 2.145 54.211 52.037 0.049 0.000 0.627 495 A CB -0.696 18.330 19.000 0.042 0.000 0.818 495 A HN 0.314 nan 8.150 nan 0.000 0.445 496 K N -0.850 119.549 120.400 -0.002 0.000 2.002 496 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 496 K C 1.945 178.509 176.600 -0.061 0.000 1.048 496 K CA 1.581 57.858 56.287 -0.017 0.000 0.930 496 K CB -0.367 32.122 32.500 -0.019 0.000 0.714 496 K HN 0.300 nan 8.250 nan 0.000 0.438 497 L N 2.329 123.481 121.223 -0.117 0.000 2.051 497 L HA -0.246 4.094 4.340 -0.000 0.000 0.214 497 L C 2.374 179.191 176.870 -0.087 0.000 1.076 497 L CA 1.954 56.676 54.840 -0.196 0.000 0.758 497 L CB -0.631 41.180 42.059 -0.413 0.000 0.890 497 L HN 0.229 nan 8.230 nan 0.000 0.433 498 K N -0.458 119.965 120.400 0.039 0.000 2.001 498 K HA -0.294 4.026 4.320 -0.000 0.000 0.214 498 K C 2.132 178.753 176.600 0.035 0.000 1.050 498 K CA 2.096 58.473 56.287 0.150 0.000 0.934 498 K CB -0.434 32.208 32.500 0.237 0.000 0.718 498 K HN 0.547 nan 8.250 nan 0.000 0.443 499 E N 0.686 120.914 120.200 0.046 0.000 2.048 499 E HA -0.250 4.100 4.350 -0.000 0.000 0.202 499 E C 2.072 178.688 176.600 0.027 0.000 1.021 499 E CA 2.156 58.585 56.400 0.048 0.000 0.825 499 E CB -0.282 29.449 29.700 0.051 0.000 0.756 499 E HN 0.468 nan 8.360 nan 0.000 0.454 500 I N 1.160 121.706 120.570 -0.042 0.000 2.185 500 I HA -0.311 3.859 4.170 -0.000 0.000 0.246 500 I C 2.759 178.928 176.117 0.087 0.000 1.088 500 I CA 1.673 62.926 61.300 -0.078 0.000 1.347 500 I CB -0.652 37.110 38.000 -0.397 0.000 1.041 500 I HN 0.227 nan 8.210 nan 0.000 0.415 501 V N -2.218 117.694 119.914 -0.003 0.000 2.488 501 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 501 V C 2.293 178.355 176.094 -0.053 0.000 1.046 501 V CA 1.924 64.181 62.300 -0.072 0.000 1.053 501 V CB -1.049 30.503 31.823 -0.450 0.000 0.679 501 V HN 0.352 nan 8.190 nan 0.000 0.458 502 T N 1.748 116.250 114.554 -0.087 0.000 2.652 502 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 502 T C 1.724 176.507 174.700 0.138 0.000 1.039 502 T CA 2.591 64.747 62.100 0.093 0.000 1.153 502 T CB -0.776 68.180 68.868 0.146 0.000 0.863 502 T HN 0.677 nan 8.240 nan 0.000 0.428 503 N N 0.064 118.844 118.700 0.133 0.000 2.573 503 N HA 0.032 4.772 4.740 -0.000 0.000 0.187 503 N C 1.313 176.904 175.510 0.136 0.000 1.107 503 N CA 0.293 53.420 53.050 0.129 0.000 0.918 503 N CB -0.151 38.417 38.487 0.135 0.000 0.966 503 N HN 0.309 nan 8.380 nan 0.000 0.448 504 F N 0.929 120.898 119.950 0.031 0.000 2.270 504 F HA 0.068 4.595 4.527 -0.000 0.000 0.295 504 F C 1.843 177.672 175.800 0.048 0.000 1.087 504 F CA 0.473 58.452 58.000 -0.035 0.000 1.365 504 F CB -0.006 38.962 39.000 -0.052 0.000 1.056 504 F HN -0.067 nan 8.300 nan 0.000 0.506 505 L N 0.630 121.972 121.223 0.197 0.000 2.013 505 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 505 L C 2.705 179.635 176.870 0.099 0.000 1.073 505 L CA 2.152 57.132 54.840 0.233 0.000 0.753 505 L CB -1.954 40.255 42.059 0.248 0.000 0.890 505 L HN 0.319 nan 8.230 nan 0.000 0.432 506 A N -0.679 122.166 122.820 0.042 0.000 1.972 506 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 506 A C 2.259 179.812 177.584 -0.051 0.000 1.169 506 A CA 1.646 53.690 52.037 0.011 0.000 0.635 506 A CB -0.818 18.192 19.000 0.017 0.000 0.810 506 A HN 0.487 nan 8.150 nan 0.000 0.446 507 G N -2.039 106.675 108.800 -0.143 0.000 2.838 507 G HA2 0.223 4.183 3.960 -0.000 0.000 0.210 507 G HA3 0.223 4.183 3.960 -0.000 0.000 0.210 507 G C 0.318 175.068 174.900 -0.249 0.000 1.153 507 G CA -0.152 44.823 45.100 -0.208 0.000 0.778 507 G HN 0.361 nan 8.290 nan 0.000 0.539 508 F N 2.478 122.162 119.950 -0.442 0.000 2.533 508 F HA 0.408 4.935 4.527 -0.000 0.000 0.378 508 F C 0.356 176.080 175.800 -0.127 0.000 1.070 508 F CA -1.690 56.104 58.000 -0.343 0.000 1.172 508 F CB 0.630 39.522 39.000 -0.181 0.000 1.085 508 F HN -0.032 nan 8.300 nan 0.000 0.552 509 E N 5.468 125.298 120.200 -0.618 0.000 2.257 509 E HA 0.441 4.791 4.350 -0.000 0.000 0.278 509 E C -0.004 176.058 176.600 -0.897 0.000 1.049 509 E CA -0.158 55.910 56.400 -0.554 0.000 0.876 509 E CB 0.765 30.279 29.700 -0.310 0.000 1.035 509 E HN 0.784 nan 8.360 nan 0.000 0.419 510 A N 0.000 122.481 122.820 -0.565 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 51.795 52.037 -0.404 0.000 0.836 510 A CB 0.000 18.896 19.000 -0.174 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486