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 2jj1_1_H DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAAF AQFGSDLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE SQHQALLSKI RTDGKISEES DAKLKEIVTN FLAGFEA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 24 D HA 0.000 nan 4.640 nan 0.000 0.175 24 D C 0.000 176.296 176.300 -0.007 0.000 2.045 24 D CA 0.000 53.999 54.000 -0.001 0.000 0.868 24 D CB 0.000 40.796 40.800 -0.007 0.000 0.688 25 L N 2.554 123.769 121.223 -0.013 0.000 2.612 25 L HA 0.286 4.626 4.340 -0.000 0.000 0.230 25 L C 1.555 178.387 176.870 -0.063 0.000 1.140 25 L CA 0.313 55.127 54.840 -0.043 0.000 0.896 25 L CB 0.101 42.127 42.059 -0.055 0.000 1.065 25 L HN 0.422 nan 8.230 nan 0.000 0.447 26 E N -0.253 119.921 120.200 -0.043 0.000 2.201 26 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 26 E C 1.527 178.102 176.600 -0.042 0.000 0.957 26 E CA 0.318 56.693 56.400 -0.043 0.000 0.858 26 E CB 0.455 30.136 29.700 -0.031 0.000 0.816 26 E HN 0.268 nan 8.360 nan 0.000 0.475 27 E N 0.128 120.306 120.200 -0.036 0.000 2.415 27 E HA 0.033 4.383 4.350 -0.000 0.000 0.197 27 E C 0.857 177.430 176.600 -0.044 0.000 1.007 27 E CA 0.598 56.975 56.400 -0.038 0.000 0.890 27 E CB 0.771 30.453 29.700 -0.030 0.000 0.891 27 E HN 0.248 nan 8.360 nan 0.000 0.496 28 T N -2.617 111.914 114.554 -0.038 0.000 2.831 28 T HA 0.804 5.154 4.350 -0.000 0.000 0.287 28 T C 0.281 174.960 174.700 -0.034 0.000 1.070 28 T CA -0.467 61.611 62.100 -0.036 0.000 1.010 28 T CB 2.445 71.302 68.868 -0.018 0.000 1.264 28 T HN 0.020 nan 8.240 nan 0.000 0.532 29 G N 0.045 108.835 108.800 -0.016 0.000 2.649 29 G HA2 0.645 4.605 3.960 -0.000 0.000 0.290 29 G HA3 0.645 4.605 3.960 -0.000 0.000 0.290 29 G C -1.594 173.344 174.900 0.064 0.000 1.426 29 G CA -1.147 43.962 45.100 0.014 0.000 0.794 29 G HN 0.895 nan 8.290 nan 0.000 0.483 30 R N -0.250 120.322 120.500 0.120 0.000 2.740 30 R HA 0.670 5.010 4.340 -0.000 0.000 0.282 30 R C -1.083 175.300 176.300 0.138 0.000 0.969 30 R CA -0.637 55.537 56.100 0.123 0.000 0.918 30 R CB 1.499 31.863 30.300 0.107 0.000 1.175 30 R HN 0.330 nan 8.270 nan 0.000 0.464 31 V N 4.376 124.370 119.914 0.135 0.000 2.521 31 V HA 0.041 4.161 4.120 -0.000 0.000 0.286 31 V C 1.732 177.878 176.094 0.088 0.000 1.034 31 V CA -0.047 62.332 62.300 0.132 0.000 1.045 31 V CB 0.830 32.733 31.823 0.133 0.000 0.974 31 V HN 0.692 nan 8.190 nan 0.000 0.480 32 L N 3.571 124.845 121.223 0.085 0.000 2.145 32 L HA 0.127 4.467 4.340 -0.000 0.000 0.201 32 L C 0.839 177.731 176.870 0.036 0.000 1.075 32 L CA 0.892 55.764 54.840 0.053 0.000 0.773 32 L CB 0.173 42.268 42.059 0.060 0.000 0.936 32 L HN 0.844 nan 8.230 nan 0.000 0.451 33 S N -0.903 114.822 115.700 0.041 0.000 2.533 33 S HA 0.602 5.072 4.470 -0.000 0.000 0.271 33 S C -1.017 173.596 174.600 0.021 0.000 1.143 33 S CA -0.762 57.452 58.200 0.023 0.000 0.891 33 S CB 2.561 65.772 63.200 0.019 0.000 1.105 33 S HN 0.046 nan 8.310 nan 0.000 0.468 34 I N 0.888 121.458 120.570 -0.001 0.000 2.647 34 I HA 0.917 5.087 4.170 -0.000 0.000 0.295 34 I C -0.345 175.757 176.117 -0.025 0.000 1.078 34 I CA 0.323 61.611 61.300 -0.020 0.000 1.048 34 I CB 1.766 39.731 38.000 -0.059 0.000 1.239 34 I HN 1.363 nan 8.210 nan 0.000 0.421 35 G N 4.517 113.302 108.800 -0.026 0.000 2.405 35 G HA2 0.364 4.324 3.960 -0.000 0.000 0.303 35 G HA3 0.364 4.324 3.960 -0.000 0.000 0.303 35 G C -1.238 173.649 174.900 -0.021 0.000 1.644 35 G CA -0.425 44.661 45.100 -0.025 0.000 0.899 35 G HN 0.741 nan 8.290 nan 0.000 0.667 36 D N -0.310 120.076 120.400 -0.023 0.000 2.800 36 D HA -0.125 4.515 4.640 -0.000 0.000 0.232 36 D C 1.624 177.912 176.300 -0.021 0.000 1.137 36 D CA 2.898 56.885 54.000 -0.022 0.000 0.718 36 D CB -1.233 39.554 40.800 -0.023 0.000 1.084 36 D HN 2.347 nan 8.370 nan 0.000 0.432 37 G N -1.029 107.760 108.800 -0.019 0.000 2.143 37 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.248 37 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.248 37 G C 0.092 175.002 174.900 0.016 0.000 0.991 37 G CA 0.333 45.429 45.100 -0.006 0.000 0.689 37 G HN 0.471 nan 8.290 nan 0.000 0.522 38 I N 0.572 121.148 120.570 0.010 0.000 2.436 38 I HA 0.706 4.876 4.170 -0.000 0.000 0.289 38 I C 0.318 176.460 176.117 0.042 0.000 1.010 38 I CA -1.338 59.983 61.300 0.035 0.000 1.098 38 I CB 1.411 39.421 38.000 0.016 0.000 1.266 38 I HN 0.371 nan 8.210 nan 0.000 0.434 39 A N 7.491 130.371 122.820 0.100 0.000 2.287 39 A HA 0.699 5.019 4.320 -0.000 0.000 0.317 39 A C -0.143 177.520 177.584 0.132 0.000 1.220 39 A CA -0.763 51.348 52.037 0.123 0.000 0.835 39 A CB 0.818 19.965 19.000 0.244 0.000 1.180 39 A HN 0.552 nan 8.150 nan 0.000 0.500 40 R N 1.940 122.496 120.500 0.094 0.000 2.234 40 R HA 0.422 4.762 4.340 -0.000 0.000 0.324 40 R C -0.937 175.428 176.300 0.108 0.000 1.054 40 R CA -0.226 55.926 56.100 0.086 0.000 0.912 40 R CB 0.975 31.311 30.300 0.061 0.000 1.030 40 R HN 0.427 nan 8.270 nan 0.000 0.455 41 V N 3.468 123.446 119.914 0.106 0.000 2.448 41 V HA 0.163 4.283 4.120 -0.000 0.000 0.295 41 V C -0.001 176.156 176.094 0.105 0.000 1.025 41 V CA -1.015 61.353 62.300 0.113 0.000 0.859 41 V CB 1.422 33.299 31.823 0.089 0.000 0.988 41 V HN 0.726 nan 8.190 nan 0.000 0.431 42 H N 3.413 122.503 119.070 0.034 0.000 2.548 42 H HA 0.673 5.229 4.556 0.000 0.000 0.331 42 H C 0.500 175.838 175.328 0.016 0.000 1.093 42 H CA 1.339 57.400 56.048 0.022 0.000 1.367 42 H CB 1.065 30.840 29.762 0.020 0.000 1.455 42 H HN 1.131 nan 8.280 nan 0.000 0.519 43 G N 2.787 111.238 108.800 -0.583 0.000 2.466 43 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 43 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 43 G C -0.211 174.584 174.900 -0.176 0.000 1.237 43 G CA -0.476 44.397 45.100 -0.379 0.000 0.954 43 G HN 1.284 nan 8.290 nan 0.000 0.580 44 L N -0.619 120.536 121.223 -0.113 0.000 3.660 44 L HA -0.216 4.124 4.340 -0.000 0.000 0.440 44 L C 2.232 179.057 176.870 -0.075 0.000 1.262 44 L CA 0.705 55.496 54.840 -0.080 0.000 0.837 44 L CB -0.795 41.221 42.059 -0.071 0.000 1.689 44 L HN 0.644 nan 8.230 nan 0.000 0.890 45 R N 0.190 120.642 120.500 -0.080 0.000 2.105 45 R HA -0.065 4.275 4.340 -0.000 0.000 0.239 45 R C 1.405 177.678 176.300 -0.044 0.000 1.135 45 R CA 1.466 57.528 56.100 -0.064 0.000 0.967 45 R CB -0.459 29.805 30.300 -0.060 0.000 0.861 45 R HN 0.555 nan 8.270 nan 0.000 0.442 46 N N 0.915 119.591 118.700 -0.042 0.000 2.314 46 N HA 0.016 4.756 4.740 -0.000 0.000 0.200 46 N C -0.088 175.403 175.510 -0.033 0.000 1.135 46 N CA 0.025 53.055 53.050 -0.033 0.000 0.835 46 N CB 0.389 38.859 38.487 -0.029 0.000 0.989 46 N HN 0.024 nan 8.380 nan 0.000 0.478 47 V N -0.513 119.379 119.914 -0.037 0.000 2.843 47 V HA 0.105 4.225 4.120 -0.000 0.000 0.305 47 V C 0.390 176.469 176.094 -0.024 0.000 1.065 47 V CA -0.569 61.709 62.300 -0.036 0.000 1.116 47 V CB 0.483 32.281 31.823 -0.041 0.000 0.968 47 V HN 0.061 nan 8.190 nan 0.000 0.487 48 Q N 2.273 122.061 119.800 -0.022 0.000 2.230 48 Q HA 0.673 5.013 4.340 -0.000 0.000 0.253 48 Q C 0.222 176.220 176.000 -0.003 0.000 0.919 48 Q CA -0.448 55.348 55.803 -0.011 0.000 0.908 48 Q CB 1.677 30.408 28.738 -0.012 0.000 1.245 48 Q HN 1.136 nan 8.270 nan 0.000 0.437 49 A N 2.596 125.420 122.820 0.007 0.000 2.580 49 A HA -0.064 4.256 4.320 -0.000 0.000 0.244 49 A C 0.207 177.805 177.584 0.023 0.000 1.045 49 A CA 0.599 52.648 52.037 0.019 0.000 0.761 49 A CB -0.348 18.669 19.000 0.027 0.000 0.962 49 A HN 0.989 nan 8.150 nan 0.000 0.512 50 E N -0.610 119.612 120.200 0.037 0.000 3.763 50 E HA -0.188 4.162 4.350 -0.000 0.000 0.319 50 E C 0.206 176.824 176.600 0.029 0.000 0.804 50 E CA 1.158 57.589 56.400 0.051 0.000 1.196 50 E CB -1.347 28.379 29.700 0.043 0.000 1.607 50 E HN 0.936 nan 8.360 nan 0.000 0.431 51 E N 0.510 120.713 120.200 0.005 0.000 2.349 51 E HA 0.222 4.572 4.350 -0.000 0.000 0.265 51 E C -0.080 176.491 176.600 -0.048 0.000 1.064 51 E CA -0.370 56.016 56.400 -0.025 0.000 0.886 51 E CB 0.651 30.329 29.700 -0.036 0.000 1.036 51 E HN -0.012 nan 8.360 nan 0.000 0.413 52 M N 4.534 124.082 119.600 -0.086 0.000 2.084 52 M HA 0.169 4.649 4.480 -0.000 0.000 0.351 52 M C -0.361 175.836 176.300 -0.172 0.000 1.240 52 M CA -0.492 54.714 55.300 -0.157 0.000 1.083 52 M CB 0.633 33.117 32.600 -0.193 0.000 1.593 52 M HN 0.373 nan 8.290 nan 0.000 0.463 53 V N 1.478 121.261 119.914 -0.218 0.000 3.096 53 V HA 0.688 4.808 4.120 -0.000 0.000 0.319 53 V C -0.520 175.367 176.094 -0.345 0.000 1.103 53 V CA -0.875 61.270 62.300 -0.259 0.000 1.016 53 V CB 2.202 33.855 31.823 -0.283 0.000 1.090 53 V HN 0.860 nan 8.190 nan 0.000 0.449 54 E N 0.547 120.547 120.200 -0.334 0.000 2.199 54 E HA 0.519 4.869 4.350 -0.000 0.000 0.265 54 E C -1.612 174.810 176.600 -0.296 0.000 0.882 54 E CA -0.693 55.550 56.400 -0.262 0.000 0.759 54 E CB 1.662 31.286 29.700 -0.126 0.000 1.148 54 E HN 0.623 nan 8.360 nan 0.000 0.412 55 F N 1.448 121.392 119.950 -0.009 0.000 2.380 55 F HA 0.058 4.585 4.527 0.000 0.000 0.325 55 F C 2.106 177.909 175.800 0.004 0.000 1.136 55 F CA 0.039 58.042 58.000 0.005 0.000 1.171 55 F CB 1.209 40.219 39.000 0.017 0.000 1.230 55 F HN 0.610 nan 8.300 nan 0.000 0.554 56 S N -0.529 115.303 115.700 0.219 0.000 2.383 56 S HA -0.234 4.236 4.470 -0.000 0.000 0.229 56 S C 1.943 176.603 174.600 0.099 0.000 1.030 56 S CA 1.340 59.610 58.200 0.117 0.000 1.002 56 S CB -1.044 62.213 63.200 0.095 0.000 0.829 56 S HN 0.715 nan 8.310 nan 0.000 0.467 57 S N 0.766 116.536 115.700 0.118 0.000 2.481 57 S HA 0.334 4.804 4.470 -0.000 0.000 0.231 57 S C 1.721 176.370 174.600 0.081 0.000 0.996 57 S CA 0.766 59.013 58.200 0.078 0.000 0.942 57 S CB -0.826 62.406 63.200 0.052 0.000 0.768 57 S HN 1.640 nan 8.310 nan 0.000 0.520 58 G N 0.386 109.252 108.800 0.110 0.000 2.159 58 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.227 58 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.227 58 G C -0.090 174.877 174.900 0.111 0.000 0.986 58 G CA 0.019 45.171 45.100 0.088 0.000 0.651 58 G HN 0.504 nan 8.290 nan 0.000 0.523 59 L N 0.598 121.928 121.223 0.178 0.000 2.436 59 L HA 0.449 4.789 4.340 -0.000 0.000 0.265 59 L C 0.706 177.746 176.870 0.283 0.000 1.168 59 L CA -0.541 54.431 54.840 0.221 0.000 0.815 59 L CB 0.610 42.792 42.059 0.205 0.000 1.109 59 L HN -0.088 nan 8.230 nan 0.000 0.462 60 K N 1.281 121.787 120.400 0.178 0.000 2.087 60 K HA 0.669 4.989 4.320 -0.000 0.000 0.255 60 K C -0.061 176.587 176.600 0.080 0.000 0.988 60 K CA -0.428 55.833 56.287 -0.044 0.000 0.915 60 K CB 1.671 33.956 32.500 -0.358 0.000 1.043 60 K HN 0.755 nan 8.250 nan 0.000 0.457 61 G N 0.317 109.032 108.800 -0.142 0.000 2.696 61 G HA2 0.605 4.565 3.960 -0.000 0.000 0.295 61 G HA3 0.605 4.565 3.960 -0.000 0.000 0.295 61 G C -1.520 173.338 174.900 -0.069 0.000 1.398 61 G CA -0.664 44.494 45.100 0.098 0.000 0.920 61 G HN 0.454 nan 8.290 nan 0.000 0.492 62 M N 1.387 121.102 119.600 0.192 0.000 2.321 62 M HA 0.531 5.011 4.480 -0.000 0.000 0.315 62 M C -0.601 175.786 176.300 0.144 0.000 1.052 62 M CA -0.564 54.832 55.300 0.160 0.000 0.936 62 M CB 1.817 34.632 32.600 0.359 0.000 1.639 62 M HN 0.320 nan 8.290 nan 0.000 0.433 63 S N 6.255 121.997 115.700 0.070 0.000 2.681 63 S HA 0.290 4.760 4.470 -0.000 0.000 0.313 63 S C 0.856 175.496 174.600 0.066 0.000 1.137 63 S CA -0.578 57.654 58.200 0.053 0.000 1.045 63 S CB -0.150 63.056 63.200 0.010 0.000 1.208 63 S HN 0.766 nan 8.310 nan 0.000 0.523 64 L N 1.521 122.792 121.223 0.079 0.000 2.307 64 L HA 0.178 4.518 4.340 -0.000 0.000 0.211 64 L C 0.152 177.052 176.870 0.051 0.000 1.099 64 L CA 0.529 55.414 54.840 0.074 0.000 0.816 64 L CB -0.081 42.022 42.059 0.072 0.000 0.952 64 L HN 0.382 nan 8.230 nan 0.000 0.455 65 N N 0.378 119.102 118.700 0.040 0.000 2.417 65 N HA 0.450 5.190 4.740 -0.000 0.000 0.274 65 N C -1.130 174.396 175.510 0.026 0.000 0.987 65 N CA -0.171 52.897 53.050 0.029 0.000 0.912 65 N CB 1.598 40.098 38.487 0.021 0.000 1.177 65 N HN -0.028 nan 8.380 nan 0.000 0.490 66 L N 1.963 123.199 121.223 0.022 0.000 2.277 66 L HA 0.461 4.801 4.340 -0.000 0.000 0.284 66 L C 0.205 177.083 176.870 0.013 0.000 1.028 66 L CA -0.439 54.410 54.840 0.014 0.000 0.835 66 L CB 0.841 42.906 42.059 0.010 0.000 1.215 66 L HN 0.386 nan 8.230 nan 0.000 0.425 67 E N 3.374 123.582 120.200 0.012 0.000 2.249 67 E HA 0.329 4.679 4.350 -0.000 0.000 0.263 67 E C -1.722 174.884 176.600 0.010 0.000 0.950 67 E CA -1.793 54.615 56.400 0.013 0.000 0.827 67 E CB 1.795 31.505 29.700 0.017 0.000 1.220 67 E HN 0.268 nan 8.360 nan 0.000 0.411 68 P HA -0.182 nan 4.420 nan 0.000 0.216 68 P C 0.366 177.674 177.300 0.012 0.000 1.150 68 P CA 1.416 64.522 63.100 0.010 0.000 0.843 68 P CB 0.168 31.876 31.700 0.013 0.000 0.787 69 D N -2.358 118.057 120.400 0.025 0.000 2.469 69 D HA 0.062 4.702 4.640 -0.000 0.000 0.213 69 D C 0.000 176.337 176.300 0.061 0.000 1.135 69 D CA -0.237 53.791 54.000 0.047 0.000 0.834 69 D CB -0.741 40.096 40.800 0.061 0.000 1.009 69 D HN 0.342 nan 8.370 nan 0.000 0.507 70 N N -1.531 117.191 118.700 0.036 0.000 2.961 70 N HA 0.429 5.169 4.740 -0.000 0.000 0.245 70 N C -1.999 173.525 175.510 0.024 0.000 1.404 70 N CA -0.980 52.095 53.050 0.042 0.000 0.880 70 N CB 1.809 40.331 38.487 0.058 0.000 1.461 70 N HN -0.208 nan 8.380 nan 0.000 0.510 71 V N 0.351 120.282 119.914 0.029 0.000 2.409 71 V HA 0.685 4.805 4.120 -0.000 0.000 0.291 71 V C 0.597 176.719 176.094 0.047 0.000 1.020 71 V CA -0.693 61.623 62.300 0.026 0.000 0.848 71 V CB 1.255 33.084 31.823 0.009 0.000 0.990 71 V HN 0.904 nan 8.190 nan 0.000 0.430 72 G N 4.415 113.241 108.800 0.044 0.000 2.439 72 G HA2 0.419 4.379 3.960 -0.000 0.000 0.298 72 G HA3 0.419 4.379 3.960 -0.000 0.000 0.298 72 G C -0.370 174.574 174.900 0.074 0.000 1.044 72 G CA -0.030 45.102 45.100 0.053 0.000 1.168 72 G HN 0.520 nan 8.290 nan 0.000 0.433 73 V N 3.477 123.459 119.914 0.113 0.000 2.427 73 V HA 0.254 4.374 4.120 -0.000 0.000 0.286 73 V C 0.239 176.454 176.094 0.202 0.000 1.034 73 V CA -0.740 61.657 62.300 0.161 0.000 0.893 73 V CB 1.789 33.736 31.823 0.208 0.000 0.982 73 V HN 0.393 nan 8.190 nan 0.000 0.452 74 V N 5.920 125.967 119.914 0.222 0.000 2.383 74 V HA 0.306 4.426 4.120 -0.000 0.000 0.275 74 V C 0.000 176.313 176.094 0.365 0.000 1.036 74 V CA -0.312 62.120 62.300 0.220 0.000 0.889 74 V CB 1.910 33.829 31.823 0.161 0.000 0.985 74 V HN 0.646 nan 8.190 nan 0.000 0.459 75 V N 6.839 126.917 119.914 0.273 0.000 2.406 75 V HA 0.284 4.404 4.120 -0.000 0.000 0.272 75 V C 0.079 176.361 176.094 0.313 0.000 1.043 75 V CA -0.243 62.255 62.300 0.330 0.000 0.915 75 V CB 1.012 32.899 31.823 0.108 0.000 0.988 75 V HN 0.719 nan 8.190 nan 0.000 0.466 76 F N 4.775 124.811 119.950 0.144 0.000 2.733 76 F HA 0.611 5.138 4.527 -0.000 0.000 0.344 76 F C 1.102 176.949 175.800 0.078 0.000 1.179 76 F CA 0.183 58.249 58.000 0.110 0.000 1.316 76 F CB -0.041 39.029 39.000 0.117 0.000 1.577 76 F HN 0.710 nan 8.300 nan 0.000 0.591 77 G N -0.063 108.832 108.800 0.157 0.000 2.351 77 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.279 77 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.279 77 G C -1.443 173.478 174.900 0.034 0.000 1.297 77 G CA -1.174 43.981 45.100 0.091 0.000 0.886 77 G HN -0.004 nan 8.290 nan 0.000 0.493 78 N N 0.552 119.262 118.700 0.016 0.000 2.497 78 N HA 0.184 4.924 4.740 -0.000 0.000 0.268 78 N C 0.541 176.026 175.510 -0.042 0.000 1.171 78 N CA -0.147 52.897 53.050 -0.009 0.000 0.948 78 N CB 1.276 39.761 38.487 -0.004 0.000 1.069 78 N HN 0.401 nan 8.380 nan 0.000 0.460 79 D N 2.329 122.698 120.400 -0.052 0.000 2.264 79 D HA -0.167 4.473 4.640 -0.000 0.000 0.208 79 D C 1.513 177.764 176.300 -0.082 0.000 0.966 79 D CA 0.979 54.927 54.000 -0.086 0.000 0.864 79 D CB 0.106 40.865 40.800 -0.068 0.000 0.933 79 D HN 0.724 nan 8.370 nan 0.000 0.499 80 K N 0.789 121.158 120.400 -0.052 0.000 2.281 80 K HA -0.108 4.212 4.320 -0.000 0.000 0.203 80 K C 1.825 178.398 176.600 -0.045 0.000 1.046 80 K CA 0.905 57.168 56.287 -0.040 0.000 0.938 80 K CB -0.365 32.121 32.500 -0.024 0.000 0.737 80 K HN 0.169 nan 8.250 nan 0.000 0.458 81 L N 0.896 122.085 121.223 -0.057 0.000 2.395 81 L HA 0.167 4.507 4.340 -0.000 0.000 0.218 81 L C 0.786 177.607 176.870 -0.081 0.000 1.130 81 L CA 0.197 55.005 54.840 -0.052 0.000 0.826 81 L CB -0.033 42.004 42.059 -0.036 0.000 0.941 81 L HN 0.174 nan 8.230 nan 0.000 0.451 82 I N 0.283 120.771 120.570 -0.137 0.000 2.354 82 I HA 0.234 4.404 4.170 -0.000 0.000 0.292 82 I C -0.230 175.827 176.117 -0.100 0.000 0.989 82 I CA -0.425 60.768 61.300 -0.178 0.000 1.188 82 I CB 1.331 39.081 38.000 -0.417 0.000 1.342 82 I HN -0.028 nan 8.210 nan 0.000 0.457 83 K N 4.550 124.919 120.400 -0.050 0.000 2.306 83 K HA 0.400 4.720 4.320 -0.000 0.000 0.236 83 K C -0.500 176.099 176.600 -0.002 0.000 1.013 83 K CA -0.970 55.303 56.287 -0.023 0.000 0.857 83 K CB 1.852 34.347 32.500 -0.010 0.000 1.214 83 K HN 0.519 nan 8.250 nan 0.000 0.449 84 E N 0.201 120.402 120.200 0.003 0.000 2.465 84 E HA -0.030 4.320 4.350 -0.000 0.000 0.260 84 E C 0.481 177.095 176.600 0.024 0.000 0.980 84 E CA 1.167 57.577 56.400 0.015 0.000 0.927 84 E CB 0.000 29.705 29.700 0.007 0.000 0.934 84 E HN 0.775 nan 8.360 nan 0.000 0.459 85 G N 4.004 112.827 108.800 0.038 0.000 2.195 85 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 85 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 85 G C -0.118 174.817 174.900 0.059 0.000 0.984 85 G CA 0.119 45.244 45.100 0.042 0.000 0.633 85 G HN 0.668 nan 8.290 nan 0.000 0.525 86 D N 0.579 121.023 120.400 0.073 0.000 2.488 86 D HA 0.375 5.015 4.640 -0.000 0.000 0.238 86 D C 0.955 177.332 176.300 0.128 0.000 1.138 86 D CA 0.050 54.110 54.000 0.100 0.000 0.873 86 D CB 0.511 41.380 40.800 0.116 0.000 1.183 86 D HN 0.262 nan 8.370 nan 0.000 0.458 87 I N 2.269 122.902 120.570 0.104 0.000 2.496 87 I HA 0.039 4.209 4.170 -0.000 0.000 0.285 87 I C -0.018 176.149 176.117 0.083 0.000 1.080 87 I CA -0.016 61.332 61.300 0.080 0.000 1.404 87 I CB 0.870 38.900 38.000 0.050 0.000 1.403 87 I HN 0.025 nan 8.210 nan 0.000 0.539 88 V N 6.944 126.874 119.914 0.027 0.000 2.407 88 V HA 0.389 4.509 4.120 -0.000 0.000 0.291 88 V C -0.005 176.022 176.094 -0.111 0.000 1.018 88 V CA -1.016 61.228 62.300 -0.094 0.000 0.842 88 V CB 1.082 32.818 31.823 -0.147 0.000 0.996 88 V HN 0.585 nan 8.190 nan 0.000 0.426 89 K N 3.845 124.165 120.400 -0.133 0.000 2.130 89 K HA 0.609 4.929 4.320 -0.000 0.000 0.268 89 K C -0.231 176.292 176.600 -0.129 0.000 0.983 89 K CA -0.778 55.448 56.287 -0.102 0.000 0.893 89 K CB 1.828 34.283 32.500 -0.074 0.000 1.066 89 K HN 0.551 nan 8.250 nan 0.000 0.450 90 R N 0.947 121.388 120.500 -0.097 0.000 2.298 90 R HA 0.057 4.397 4.340 -0.000 0.000 0.310 90 R C 0.692 176.947 176.300 -0.074 0.000 1.068 90 R CA -0.058 55.988 56.100 -0.090 0.000 0.957 90 R CB 0.532 30.790 30.300 -0.070 0.000 1.003 90 R HN 0.712 nan 8.270 nan 0.000 0.454 91 T N -1.066 113.442 114.554 -0.077 0.000 3.174 91 T HA 0.194 4.544 4.350 -0.000 0.000 0.269 91 T C 1.055 175.724 174.700 -0.052 0.000 1.017 91 T CA 0.045 62.109 62.100 -0.060 0.000 0.899 91 T CB 0.527 69.359 68.868 -0.061 0.000 1.077 91 T HN 0.804 nan 8.240 nan 0.000 0.552 92 G N 1.365 110.133 108.800 -0.053 0.000 2.246 92 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.273 92 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.273 92 G C 0.327 175.199 174.900 -0.047 0.000 1.055 92 G CA -0.131 44.942 45.100 -0.045 0.000 0.851 92 G HN 1.233 nan 8.290 nan 0.000 0.500 93 A N -0.432 122.352 122.820 -0.060 0.000 2.386 93 A HA 0.688 5.008 4.320 -0.000 0.000 0.248 93 A C 0.539 178.090 177.584 -0.055 0.000 1.082 93 A CA 0.391 52.389 52.037 -0.065 0.000 0.789 93 A CB 0.649 19.595 19.000 -0.091 0.000 1.025 93 A HN 1.564 nan 8.150 nan 0.000 0.490 94 I N 2.586 123.126 120.570 -0.048 0.000 2.468 94 I HA 0.330 4.500 4.170 -0.000 0.000 0.284 94 I C -0.850 175.245 176.117 -0.036 0.000 1.038 94 I CA -0.789 60.488 61.300 -0.038 0.000 1.083 94 I CB 1.531 39.514 38.000 -0.028 0.000 1.223 94 I HN 0.299 nan 8.210 nan 0.000 0.443 95 V N 7.531 127.424 119.914 -0.035 0.000 2.356 95 V HA 0.065 4.185 4.120 -0.000 0.000 0.244 95 V C 0.036 176.121 176.094 -0.015 0.000 1.120 95 V CA 0.195 62.479 62.300 -0.027 0.000 1.181 95 V CB -1.151 30.662 31.823 -0.018 0.000 1.244 95 V HN 0.761 nan 8.190 nan 0.000 0.487 96 D N 3.500 123.893 120.400 -0.011 0.000 2.531 96 D HA 0.690 5.330 4.640 -0.000 0.000 0.244 96 D C -0.516 175.785 176.300 0.003 0.000 1.090 96 D CA -0.699 53.299 54.000 -0.004 0.000 0.989 96 D CB 2.453 43.248 40.800 -0.009 0.000 1.433 96 D HN 0.261 nan 8.370 nan 0.000 0.492 97 V N -4.187 115.730 119.914 0.004 0.000 2.876 97 V HA 0.672 4.792 4.120 -0.000 0.000 0.312 97 V C -2.821 173.264 176.094 -0.014 0.000 1.085 97 V CA -2.276 60.027 62.300 0.004 0.000 0.945 97 V CB 1.725 33.559 31.823 0.018 0.000 1.017 97 V HN 0.540 nan 8.190 nan 0.000 0.428 98 P HA 0.216 nan 4.420 nan 0.000 0.265 98 P C -0.672 176.579 177.300 -0.082 0.000 1.193 98 P CA 0.339 63.410 63.100 -0.049 0.000 0.765 98 P CB 1.537 33.212 31.700 -0.042 0.000 0.823 99 V N 2.343 122.173 119.914 -0.141 0.000 2.925 99 V HA 0.856 4.976 4.120 -0.000 0.000 0.311 99 V C 0.127 175.913 176.094 -0.513 0.000 1.104 99 V CA 0.483 62.630 62.300 -0.254 0.000 0.954 99 V CB 1.880 33.605 31.823 -0.162 0.000 1.022 99 V HN 1.046 nan 8.190 nan 0.000 0.427 100 G N 3.849 112.149 108.800 -0.833 0.000 2.359 100 G HA2 0.016 3.976 3.960 -0.000 0.000 0.303 100 G HA3 0.016 3.976 3.960 -0.000 0.000 0.303 100 G C 0.011 174.508 174.900 -0.672 0.000 1.293 100 G CA 0.005 44.352 45.100 -1.255 0.000 0.964 100 G HN 0.629 nan 8.290 nan 0.000 0.531 101 E N 0.422 120.335 120.200 -0.478 0.000 2.268 101 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 101 E C 2.021 178.582 176.600 -0.064 0.000 0.995 101 E CA 1.327 57.646 56.400 -0.135 0.000 0.836 101 E CB 0.042 29.712 29.700 -0.051 0.000 0.763 101 E HN 0.660 nan 8.360 nan 0.000 0.491 102 E N 1.004 121.138 120.200 -0.110 0.000 2.418 102 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 102 E C 1.937 178.514 176.600 -0.038 0.000 1.026 102 E CA 0.433 56.798 56.400 -0.059 0.000 0.862 102 E CB -0.304 29.355 29.700 -0.068 0.000 0.799 102 E HN 0.324 nan 8.360 nan 0.000 0.518 103 L N 0.625 121.820 121.223 -0.047 0.000 2.395 103 L HA 0.079 4.419 4.340 -0.000 0.000 0.218 103 L C 1.197 178.093 176.870 0.043 0.000 1.130 103 L CA 0.090 54.927 54.840 -0.004 0.000 0.826 103 L CB -0.118 41.936 42.059 -0.009 0.000 0.941 103 L HN 0.021 nan 8.230 nan 0.000 0.451 104 L N 0.203 121.467 121.223 0.069 0.000 2.490 104 L HA 0.114 4.454 4.340 -0.000 0.000 0.274 104 L C 1.391 178.295 176.870 0.056 0.000 1.201 104 L CA 0.652 55.553 54.840 0.101 0.000 0.869 104 L CB 0.077 42.228 42.059 0.153 0.000 1.123 104 L HN 0.336 nan 8.230 nan 0.000 0.484 105 G N 1.720 110.541 108.800 0.034 0.000 2.148 105 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.254 105 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.254 105 G C 0.191 175.093 174.900 0.004 0.000 0.981 105 G CA -0.316 44.785 45.100 0.001 0.000 0.670 105 G HN 0.463 nan 8.290 nan 0.000 0.528 106 R N -0.586 119.925 120.500 0.018 0.000 2.732 106 R HA 0.730 5.070 4.340 -0.000 0.000 0.278 106 R C -0.312 176.003 176.300 0.026 0.000 0.976 106 R CA -0.906 55.205 56.100 0.018 0.000 0.963 106 R CB 1.812 32.122 30.300 0.017 0.000 1.150 106 R HN 0.214 nan 8.270 nan 0.000 0.478 107 V N 2.646 122.575 119.914 0.024 0.000 2.409 107 V HA 0.489 4.609 4.120 -0.000 0.000 0.291 107 V C 0.106 176.220 176.094 0.033 0.000 1.020 107 V CA -0.744 61.577 62.300 0.034 0.000 0.848 107 V CB 1.594 33.436 31.823 0.031 0.000 0.990 107 V HN 0.613 nan 8.190 nan 0.000 0.430 108 V N 1.340 121.278 119.914 0.040 0.000 3.141 108 V HA 0.829 4.949 4.120 -0.000 0.000 0.312 108 V C -0.497 175.623 176.094 0.043 0.000 1.157 108 V CA -0.821 61.502 62.300 0.037 0.000 1.041 108 V CB 2.202 34.045 31.823 0.034 0.000 1.071 108 V HN 0.780 nan 8.190 nan 0.000 0.441 109 D N 1.674 122.100 120.400 0.044 0.000 2.478 109 D HA 0.474 5.114 4.640 -0.000 0.000 0.274 109 D C 1.191 177.523 176.300 0.054 0.000 1.234 109 D CA 0.048 54.078 54.000 0.050 0.000 1.069 109 D CB 1.127 41.961 40.800 0.056 0.000 1.113 109 D HN 0.912 nan 8.370 nan 0.000 0.571 110 A N -0.871 121.985 122.820 0.059 0.000 2.178 110 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 110 A C 1.914 179.545 177.584 0.079 0.000 1.157 110 A CA 0.801 52.876 52.037 0.062 0.000 0.689 110 A CB -0.717 18.318 19.000 0.059 0.000 0.787 110 A HN 0.511 nan 8.150 nan 0.000 0.465 111 L N -2.010 119.264 121.223 0.084 0.000 2.857 111 L HA 0.297 4.637 4.340 -0.000 0.000 0.249 111 L C 1.486 178.385 176.870 0.049 0.000 1.172 111 L CA 0.405 55.292 54.840 0.079 0.000 0.980 111 L CB 0.119 42.238 42.059 0.100 0.000 1.299 111 L HN 0.500 nan 8.230 nan 0.000 0.535 112 G N 0.156 108.981 108.800 0.043 0.000 2.179 112 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.260 112 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.260 112 G C 0.209 175.124 174.900 0.024 0.000 0.977 112 G CA -0.199 44.918 45.100 0.028 0.000 0.641 112 G HN 0.403 nan 8.290 nan 0.000 0.533 113 N N 1.353 120.072 118.700 0.032 0.000 2.483 113 N HA 0.448 5.188 4.740 -0.000 0.000 0.264 113 N C 0.722 176.248 175.510 0.027 0.000 1.197 113 N CA 0.796 53.864 53.050 0.028 0.000 0.927 113 N CB 1.136 39.646 38.487 0.037 0.000 1.065 113 N HN 0.733 nan 8.380 nan 0.000 0.461 114 A N 2.469 125.301 122.820 0.020 0.000 2.477 114 A HA 0.240 4.560 4.320 -0.000 0.000 0.246 114 A C 1.326 178.923 177.584 0.022 0.000 1.078 114 A CA -0.147 51.901 52.037 0.019 0.000 0.770 114 A CB -0.254 18.753 19.000 0.013 0.000 1.011 114 A HN 0.829 nan 8.150 nan 0.000 0.494 115 I N -0.980 119.604 120.570 0.023 0.000 4.310 115 I HA 0.230 4.400 4.170 -0.000 0.000 0.328 115 I C 0.256 176.385 176.117 0.020 0.000 1.406 115 I CA 0.068 61.382 61.300 0.024 0.000 1.174 115 I CB 0.471 38.489 38.000 0.030 0.000 1.279 115 I HN 0.486 nan 8.210 nan 0.000 0.471 116 D N 1.576 121.985 120.400 0.017 0.000 2.339 116 D HA 0.133 4.773 4.640 -0.000 0.000 0.217 116 D C 1.578 177.882 176.300 0.008 0.000 1.050 116 D CA 0.731 54.738 54.000 0.011 0.000 0.856 116 D CB 0.162 40.968 40.800 0.009 0.000 0.922 116 D HN 0.489 nan 8.370 nan 0.000 0.518 117 G N 0.812 109.617 108.800 0.009 0.000 2.137 117 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.237 117 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.237 117 G C 0.540 175.443 174.900 0.005 0.000 1.002 117 G CA 0.271 45.375 45.100 0.007 0.000 0.702 117 G HN 0.452 nan 8.290 nan 0.000 0.515 118 K N 0.119 120.521 120.400 0.005 0.000 2.514 118 K HA 0.487 4.807 4.320 -0.000 0.000 0.207 118 K C 1.453 178.055 176.600 0.003 0.000 1.035 118 K CA 0.240 56.528 56.287 0.003 0.000 1.113 118 K CB 0.681 33.182 32.500 0.001 0.000 0.846 118 K HN 1.396 nan 8.250 nan 0.000 0.491 119 G N 2.870 111.673 108.800 0.004 0.000 2.642 119 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.231 119 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.231 119 G C -2.504 172.398 174.900 0.002 0.000 1.338 119 G CA -1.005 44.097 45.100 0.003 0.000 0.883 119 G HN 0.139 nan 8.290 nan 0.000 0.570 120 P HA 0.351 nan 4.420 nan 0.000 0.267 120 P C 0.157 177.454 177.300 -0.005 0.000 1.200 120 P CA -0.138 62.961 63.100 -0.002 0.000 0.772 120 P CB 0.361 32.059 31.700 -0.004 0.000 0.855 121 I N 2.078 122.643 120.570 -0.008 0.000 2.379 121 I HA 0.067 4.237 4.170 -0.000 0.000 0.290 121 I C 1.676 177.780 176.117 -0.022 0.000 1.063 121 I CA 0.165 61.455 61.300 -0.015 0.000 1.351 121 I CB 0.014 38.003 38.000 -0.018 0.000 1.410 121 I HN 0.491 nan 8.210 nan 0.000 0.505 122 G N 4.649 113.434 108.800 -0.024 0.000 3.392 122 G HA2 0.022 3.982 3.960 -0.000 0.000 0.247 122 G HA3 0.022 3.982 3.960 -0.000 0.000 0.247 122 G C 0.588 175.464 174.900 -0.040 0.000 1.161 122 G CA -0.105 44.979 45.100 -0.026 0.000 1.739 122 G HN 0.577 nan 8.290 nan 0.000 0.619 123 S N -0.369 115.303 115.700 -0.047 0.000 2.523 123 S HA 0.289 4.759 4.470 -0.000 0.000 0.275 123 S C 1.210 175.776 174.600 -0.056 0.000 1.281 123 S CA -0.375 57.784 58.200 -0.069 0.000 1.050 123 S CB 0.989 64.146 63.200 -0.071 0.000 0.937 123 S HN 0.462 nan 8.310 nan 0.000 0.492 124 K N 2.172 122.533 120.400 -0.065 0.000 2.355 124 K HA 0.365 4.685 4.320 -0.000 0.000 0.198 124 K C 0.093 176.673 176.600 -0.034 0.000 1.039 124 K CA -0.013 56.249 56.287 -0.041 0.000 1.075 124 K CB 0.834 33.316 32.500 -0.029 0.000 0.870 124 K HN 0.619 nan 8.250 nan 0.000 0.540 125 A N 1.107 123.895 122.820 -0.053 0.000 2.527 125 A HA 0.733 5.053 4.320 -0.000 0.000 0.293 125 A C -1.141 176.416 177.584 -0.045 0.000 1.117 125 A CA -0.818 51.200 52.037 -0.031 0.000 0.723 125 A CB 1.367 20.370 19.000 0.006 0.000 1.313 125 A HN 0.085 nan 8.150 nan 0.000 0.411 126 R N -0.224 120.264 120.500 -0.020 0.000 2.771 126 R HA 0.714 5.054 4.340 -0.000 0.000 0.274 126 R C -0.795 175.504 176.300 -0.002 0.000 0.987 126 R CA -0.828 55.260 56.100 -0.020 0.000 0.908 126 R CB 2.730 33.020 30.300 -0.018 0.000 1.213 126 R HN 0.773 nan 8.270 nan 0.000 0.468 127 R N 1.100 121.601 120.500 0.001 0.000 2.686 127 R HA 0.393 4.733 4.340 -0.000 0.000 0.283 127 R C -0.720 175.586 176.300 0.010 0.000 0.978 127 R CA -0.799 55.309 56.100 0.014 0.000 0.897 127 R CB 1.733 32.050 30.300 0.029 0.000 1.192 127 R HN 0.523 nan 8.270 nan 0.000 0.457 128 R N 1.348 121.853 120.500 0.008 0.000 2.643 128 R HA 0.016 4.356 4.340 -0.000 0.000 0.270 128 R C 1.260 177.564 176.300 0.008 0.000 1.061 128 R CA 0.205 56.305 56.100 0.001 0.000 1.107 128 R CB 0.874 31.170 30.300 -0.006 0.000 0.999 128 R HN 0.576 nan 8.270 nan 0.000 0.460 129 V N -0.242 119.671 119.914 -0.002 0.000 3.354 129 V HA 0.246 4.366 4.120 -0.000 0.000 0.258 129 V C 0.673 176.752 176.094 -0.024 0.000 1.159 129 V CA 1.129 63.437 62.300 0.013 0.000 1.125 129 V CB 0.449 32.284 31.823 0.020 0.000 0.774 129 V HN 0.698 nan 8.190 nan 0.000 0.464 130 G N 1.197 109.952 108.800 -0.075 0.000 2.788 130 G HA2 0.683 4.643 3.960 -0.000 0.000 0.327 130 G HA3 0.683 4.643 3.960 -0.000 0.000 0.327 130 G C -1.218 173.642 174.900 -0.067 0.000 1.249 130 G CA -0.373 44.645 45.100 -0.136 0.000 1.063 130 G HN 0.320 nan 8.290 nan 0.000 0.497 131 L N 0.929 122.132 121.223 -0.033 0.000 2.424 131 L HA 0.489 4.829 4.340 -0.000 0.000 0.258 131 L C 0.200 177.077 176.870 0.012 0.000 0.995 131 L CA -1.068 53.770 54.840 -0.003 0.000 0.821 131 L CB 2.843 44.912 42.059 0.016 0.000 1.383 131 L HN 0.250 nan 8.230 nan 0.000 0.410 132 K N 1.200 121.612 120.400 0.020 0.000 2.436 132 K HA 0.388 4.708 4.320 -0.000 0.000 0.275 132 K C -0.111 176.510 176.600 0.035 0.000 0.999 132 K CA -0.172 56.134 56.287 0.033 0.000 0.980 132 K CB 1.086 33.607 32.500 0.035 0.000 0.919 132 K HN 0.669 nan 8.250 nan 0.000 0.484 133 A N 4.910 127.753 122.820 0.039 0.000 2.386 133 A HA 0.246 4.566 4.320 -0.000 0.000 0.248 133 A C -2.130 175.460 177.584 0.009 0.000 1.082 133 A CA -1.156 50.900 52.037 0.031 0.000 0.789 133 A CB -0.366 18.655 19.000 0.035 0.000 1.025 133 A HN 0.466 nan 8.150 nan 0.000 0.490 134 P HA 0.122 nan 4.420 nan 0.000 0.261 134 P C 0.755 178.020 177.300 -0.059 0.000 1.173 134 P CA 0.904 63.968 63.100 -0.060 0.000 0.760 134 P CB 0.422 32.064 31.700 -0.097 0.000 0.783 135 G N 1.832 110.590 108.800 -0.071 0.000 2.485 135 G HA2 0.091 4.051 3.960 -0.000 0.000 0.260 135 G HA3 0.091 4.051 3.960 -0.000 0.000 0.260 135 G C 1.029 175.888 174.900 -0.069 0.000 1.459 135 G CA -0.477 44.593 45.100 -0.050 0.000 1.060 135 G HN 0.399 nan 8.290 nan 0.000 0.546 136 I N -0.142 120.400 120.570 -0.048 0.000 2.286 136 I HA -0.066 4.104 4.170 -0.000 0.000 0.245 136 I C 2.464 178.542 176.117 -0.065 0.000 1.104 136 I CA 0.460 61.734 61.300 -0.043 0.000 1.397 136 I CB -0.038 37.950 38.000 -0.020 0.000 1.072 136 I HN 0.214 nan 8.210 nan 0.000 0.417 137 I N 0.901 121.427 120.570 -0.073 0.000 2.252 137 I HA -0.114 4.056 4.170 -0.000 0.000 0.245 137 I C -0.434 175.589 176.117 -0.157 0.000 1.102 137 I CA 1.327 62.583 61.300 -0.074 0.000 1.385 137 I CB -2.611 35.372 38.000 -0.028 0.000 1.064 137 I HN 0.168 nan 8.210 nan 0.000 0.414 138 P HA 0.007 nan 4.420 nan 0.000 0.252 138 P C -0.065 176.980 177.300 -0.424 0.000 1.265 138 P CA 0.629 63.300 63.100 -0.714 0.000 0.775 138 P CB 0.009 31.018 31.700 -1.151 0.000 1.128 139 R N -0.492 119.884 120.500 -0.207 0.000 2.803 139 R HA 0.662 5.002 4.340 -0.000 0.000 0.276 139 R C -0.700 175.567 176.300 -0.055 0.000 0.978 139 R CA -1.016 55.017 56.100 -0.113 0.000 0.939 139 R CB 1.611 31.861 30.300 -0.084 0.000 1.179 139 R HN -0.092 nan 8.270 nan 0.000 0.472 140 I N -0.373 120.182 120.570 -0.025 0.000 2.797 140 I HA 0.311 4.481 4.170 -0.000 0.000 0.307 140 I C -0.172 175.942 176.117 -0.005 0.000 1.033 140 I CA -0.316 60.980 61.300 -0.007 0.000 1.071 140 I CB 2.332 40.337 38.000 0.007 0.000 1.255 140 I HN 0.529 nan 8.210 nan 0.000 0.445 141 S N 2.641 118.339 115.700 -0.003 0.000 2.554 141 S HA 0.101 4.571 4.470 -0.000 0.000 0.290 141 S C -0.327 174.271 174.600 -0.003 0.000 1.309 141 S CA -0.393 57.805 58.200 -0.003 0.000 1.047 141 S CB 0.080 63.279 63.200 -0.003 0.000 0.828 141 S HN 0.418 nan 8.310 nan 0.000 0.509 142 V N 5.963 125.873 119.914 -0.006 0.000 2.450 142 V HA 0.123 4.243 4.120 -0.000 0.000 0.281 142 V C 1.247 177.331 176.094 -0.016 0.000 1.019 142 V CA 0.529 62.824 62.300 -0.010 0.000 1.062 142 V CB 0.351 32.167 31.823 -0.011 0.000 0.979 142 V HN 0.797 nan 8.190 nan 0.000 0.477 143 R N 2.443 122.929 120.500 -0.023 0.000 2.562 143 R HA 0.215 4.555 4.340 -0.000 0.000 0.191 143 R C 0.279 176.549 176.300 -0.050 0.000 0.835 143 R CA 0.002 56.084 56.100 -0.029 0.000 1.036 143 R CB 0.452 30.740 30.300 -0.021 0.000 1.437 143 R HN 0.674 nan 8.270 nan 0.000 0.654 144 E N 3.059 123.217 120.200 -0.071 0.000 2.289 144 E HA 0.213 4.563 4.350 -0.000 0.000 0.278 144 E C -2.418 174.100 176.600 -0.136 0.000 1.032 144 E CA -1.952 54.377 56.400 -0.118 0.000 0.854 144 E CB 0.687 30.285 29.700 -0.170 0.000 1.046 144 E HN -0.045 nan 8.360 nan 0.000 0.409 145 P HA -0.018 nan 4.420 nan 0.000 0.269 145 P C -0.649 176.543 177.300 -0.180 0.000 1.215 145 P CA 0.002 63.021 63.100 -0.136 0.000 0.780 145 P CB 0.467 32.091 31.700 -0.127 0.000 0.898 146 M N 2.623 122.145 119.600 -0.130 0.000 1.999 146 M HA 0.147 4.627 4.480 -0.000 0.000 0.299 146 M C -1.007 175.254 176.300 -0.066 0.000 0.900 146 M CA -0.445 54.780 55.300 -0.125 0.000 0.904 146 M CB 0.712 33.256 32.600 -0.092 0.000 1.477 146 M HN 0.299 nan 8.290 nan 0.000 0.403 147 Q N 2.738 122.508 119.800 -0.050 0.000 2.323 147 Q HA 0.195 4.535 4.340 -0.000 0.000 0.257 147 Q C 1.237 177.288 176.000 0.085 0.000 1.022 147 Q CA 0.097 55.929 55.803 0.049 0.000 0.919 147 Q CB 0.763 29.593 28.738 0.154 0.000 1.220 147 Q HN 0.760 nan 8.270 nan 0.000 0.427 148 T N -1.296 113.283 114.554 0.042 0.000 2.985 148 T HA 0.041 4.391 4.350 -0.000 0.000 0.266 148 T C 1.342 176.060 174.700 0.031 0.000 1.076 148 T CA 0.750 62.869 62.100 0.032 0.000 1.135 148 T CB 0.055 68.930 68.868 0.012 0.000 0.890 148 T HN 0.820 nan 8.240 nan 0.000 0.480 149 G N 1.434 110.254 108.800 0.032 0.000 2.199 149 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.254 149 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.254 149 G C 0.027 174.927 174.900 0.000 0.000 0.982 149 G CA 0.088 45.194 45.100 0.011 0.000 0.632 149 G HN 0.673 nan 8.290 nan 0.000 0.529 150 I N 0.958 121.529 120.570 0.002 0.000 2.331 150 I HA 0.313 4.483 4.170 -0.000 0.000 0.292 150 I C 1.535 177.654 176.117 0.003 0.000 0.998 150 I CA -0.710 60.587 61.300 -0.005 0.000 1.267 150 I CB 1.390 39.384 38.000 -0.009 0.000 1.386 150 I HN -0.023 nan 8.210 nan 0.000 0.476 151 K N 4.402 124.805 120.400 0.003 0.000 2.009 151 K HA -0.184 4.136 4.320 -0.000 0.000 0.210 151 K C 2.133 178.741 176.600 0.013 0.000 1.049 151 K CA 1.724 58.018 56.287 0.011 0.000 0.929 151 K CB -0.239 32.269 32.500 0.013 0.000 0.714 151 K HN 0.808 nan 8.250 nan 0.000 0.440 152 A N 1.029 123.856 122.820 0.011 0.000 1.958 152 A HA -0.179 4.141 4.320 -0.000 0.000 0.221 152 A C 2.372 179.967 177.584 0.018 0.000 1.178 152 A CA 1.841 53.887 52.037 0.016 0.000 0.642 152 A CB -0.724 18.286 19.000 0.016 0.000 0.816 152 A HN 0.106 nan 8.150 nan 0.000 0.453 153 V N 0.095 120.016 119.914 0.013 0.000 2.273 153 V HA -0.147 3.973 4.120 -0.000 0.000 0.242 153 V C 2.066 178.166 176.094 0.010 0.000 1.035 153 V CA 2.002 64.309 62.300 0.011 0.000 1.013 153 V CB -0.768 31.058 31.823 0.004 0.000 0.652 153 V HN 0.467 nan 8.190 nan 0.000 0.452 154 D N 0.505 120.912 120.400 0.011 0.000 2.218 154 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 154 D C 2.349 178.656 176.300 0.012 0.000 0.976 154 D CA 1.679 55.686 54.000 0.011 0.000 0.853 154 D CB -0.082 40.728 40.800 0.017 0.000 0.939 154 D HN 0.607 nan 8.370 nan 0.000 0.481 155 S N -0.499 115.210 115.700 0.016 0.000 2.398 155 S HA 0.068 4.538 4.470 -0.000 0.000 0.220 155 S C 1.914 176.524 174.600 0.017 0.000 1.046 155 S CA 0.107 58.317 58.200 0.018 0.000 0.953 155 S CB -0.238 62.974 63.200 0.021 0.000 0.856 155 S HN 0.167 nan 8.310 nan 0.000 0.506 156 L N 1.089 122.324 121.223 0.020 0.000 2.590 156 L HA 0.392 4.732 4.340 -0.000 0.000 0.227 156 L C -0.237 176.649 176.870 0.026 0.000 1.099 156 L CA 0.126 54.980 54.840 0.024 0.000 0.872 156 L CB 1.050 43.126 42.059 0.029 0.000 1.088 156 L HN 0.213 nan 8.230 nan 0.000 0.479 157 V N 0.132 120.058 119.914 0.021 0.000 2.886 157 V HA 0.183 4.303 4.120 -0.000 0.000 0.368 157 V C -2.499 173.599 176.094 0.007 0.000 1.313 157 V CA -0.868 61.443 62.300 0.020 0.000 1.491 157 V CB 0.559 32.397 31.823 0.025 0.000 1.345 157 V HN 0.016 nan 8.190 nan 0.000 0.646 158 P HA 0.319 nan 4.420 nan 0.000 0.271 158 P C -0.164 177.128 177.300 -0.013 0.000 1.220 158 P CA 0.374 63.471 63.100 -0.005 0.000 0.768 158 P CB 1.535 33.232 31.700 -0.005 0.000 0.848 159 I N 1.764 122.322 120.570 -0.020 0.000 2.797 159 I HA 0.654 4.824 4.170 -0.000 0.000 0.310 159 I C 1.177 177.270 176.117 -0.040 0.000 0.990 159 I CA -0.376 60.907 61.300 -0.028 0.000 1.228 159 I CB 1.383 39.365 38.000 -0.030 0.000 1.406 159 I HN 0.367 nan 8.210 nan 0.000 0.534 160 G N 1.769 110.544 108.800 -0.042 0.000 2.659 160 G HA2 0.511 4.471 3.960 -0.000 0.000 0.296 160 G HA3 0.511 4.471 3.960 -0.000 0.000 0.296 160 G C -1.115 173.753 174.900 -0.053 0.000 1.369 160 G CA -0.928 44.140 45.100 -0.054 0.000 0.937 160 G HN 0.469 nan 8.290 nan 0.000 0.485 161 R N 0.424 120.879 120.500 -0.074 0.000 2.399 161 R HA 0.409 4.749 4.340 -0.000 0.000 0.324 161 R C 1.278 177.575 176.300 -0.006 0.000 1.030 161 R CA 1.391 57.456 56.100 -0.058 0.000 0.984 161 R CB 0.501 30.722 30.300 -0.131 0.000 0.961 161 R HN 1.201 nan 8.270 nan 0.000 0.433 162 G N 1.865 110.671 108.800 0.009 0.000 2.352 162 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.204 162 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.204 162 G C 0.208 175.112 174.900 0.005 0.000 1.004 162 G CA -0.300 44.811 45.100 0.019 0.000 0.648 162 G HN 0.566 nan 8.290 nan 0.000 0.491 163 Q N 0.542 120.338 119.800 -0.007 0.000 2.492 163 Q HA 0.561 4.901 4.340 -0.000 0.000 0.238 163 Q C -0.267 175.725 176.000 -0.012 0.000 1.045 163 Q CA -0.021 55.776 55.803 -0.011 0.000 0.934 163 Q CB 0.321 29.048 28.738 -0.018 0.000 1.276 163 Q HN 0.326 nan 8.270 nan 0.000 0.521 164 R N 2.181 122.672 120.500 -0.014 0.000 2.337 164 R HA 0.309 4.649 4.340 -0.000 0.000 0.319 164 R C -1.435 174.843 176.300 -0.036 0.000 0.954 164 R CA -0.563 55.524 56.100 -0.020 0.000 0.840 164 R CB 1.538 31.831 30.300 -0.013 0.000 1.164 164 R HN 0.453 nan 8.270 nan 0.000 0.472 165 E N 2.652 122.824 120.200 -0.046 0.000 2.155 165 E HA 0.312 4.662 4.350 -0.000 0.000 0.264 165 E C -1.326 175.223 176.600 -0.085 0.000 0.886 165 E CA -0.912 55.450 56.400 -0.063 0.000 0.752 165 E CB 0.945 30.613 29.700 -0.053 0.000 1.133 165 E HN 0.406 nan 8.360 nan 0.000 0.414 166 L N 5.415 126.565 121.223 -0.122 0.000 2.349 166 L HA 0.465 4.805 4.340 -0.000 0.000 0.275 166 L C -0.864 175.902 176.870 -0.173 0.000 1.115 166 L CA 0.098 54.847 54.840 -0.152 0.000 0.820 166 L CB 0.572 42.514 42.059 -0.195 0.000 1.135 166 L HN 0.652 nan 8.230 nan 0.000 0.445 167 I N 6.988 127.478 120.570 -0.134 0.000 2.328 167 I HA 0.409 4.579 4.170 -0.000 0.000 0.287 167 I C -0.441 175.606 176.117 -0.117 0.000 1.012 167 I CA -0.163 61.069 61.300 -0.113 0.000 1.195 167 I CB 1.121 39.086 38.000 -0.058 0.000 1.350 167 I HN 0.551 nan 8.210 nan 0.000 0.464 168 I N 5.471 125.956 120.570 -0.142 0.000 2.607 168 I HA 0.836 5.006 4.170 -0.000 0.000 0.290 168 I C -0.536 175.575 176.117 -0.010 0.000 1.129 168 I CA 0.030 61.267 61.300 -0.106 0.000 1.042 168 I CB 1.930 39.813 38.000 -0.194 0.000 1.242 168 I HN 0.686 nan 8.210 nan 0.000 0.421 169 G N 5.041 113.855 108.800 0.024 0.000 2.451 169 G HA2 0.232 4.192 3.960 -0.000 0.000 0.292 169 G HA3 0.232 4.192 3.960 -0.000 0.000 0.292 169 G C -1.824 173.098 174.900 0.037 0.000 1.427 169 G CA -0.699 44.436 45.100 0.058 0.000 0.792 169 G HN 0.483 nan 8.290 nan 0.000 0.498 170 D N 0.227 120.649 120.400 0.036 0.000 2.369 170 D HA 0.261 4.901 4.640 -0.000 0.000 0.241 170 D C 1.226 177.524 176.300 -0.003 0.000 1.271 170 D CA 0.012 54.025 54.000 0.022 0.000 0.942 170 D CB 0.411 41.226 40.800 0.025 0.000 1.129 170 D HN 0.661 nan 8.370 nan 0.000 0.476 171 R N -0.007 120.492 120.500 -0.002 0.000 2.697 171 R HA -0.024 4.316 4.340 -0.000 0.000 0.265 171 R C -0.112 176.154 176.300 -0.057 0.000 1.009 171 R CA 0.041 56.132 56.100 -0.015 0.000 1.099 171 R CB -0.281 30.018 30.300 -0.002 0.000 0.965 171 R HN 0.385 nan 8.270 nan 0.000 0.428 172 Q N -0.640 119.117 119.800 -0.071 0.000 2.494 172 Q HA -0.190 4.150 4.340 -0.000 0.000 0.272 172 Q C 0.098 175.924 176.000 -0.291 0.000 1.145 172 Q CA 1.308 57.027 55.803 -0.140 0.000 0.943 172 Q CB -1.852 26.816 28.738 -0.116 0.000 1.338 172 Q HN 0.994 nan 8.270 nan 0.000 0.492 173 T N -4.802 109.631 114.554 -0.202 0.000 3.022 173 T HA 0.437 4.787 4.350 -0.000 0.000 0.250 173 T C 1.231 175.878 174.700 -0.089 0.000 1.060 173 T CA 0.484 62.451 62.100 -0.222 0.000 1.013 173 T CB 1.116 69.938 68.868 -0.077 0.000 0.982 173 T HN 0.953 nan 8.240 nan 0.000 0.508 174 G N 1.571 110.343 108.800 -0.046 0.000 2.155 174 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.135 174 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.135 174 G C 0.622 175.538 174.900 0.026 0.000 1.023 174 G CA 0.079 45.202 45.100 0.038 0.000 0.688 174 G HN 0.448 nan 8.290 nan 0.000 0.499 175 K N -0.376 120.032 120.400 0.013 0.000 2.062 175 K HA -0.002 4.318 4.320 -0.000 0.000 0.205 175 K C 2.484 179.105 176.600 0.035 0.000 1.051 175 K CA 1.686 57.983 56.287 0.017 0.000 0.941 175 K CB -0.167 32.339 32.500 0.009 0.000 0.719 175 K HN 0.283 nan 8.250 nan 0.000 0.440 176 T N 1.005 115.590 114.554 0.052 0.000 2.857 176 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 176 T C 2.039 176.768 174.700 0.048 0.000 1.048 176 T CA 1.189 63.340 62.100 0.086 0.000 1.139 176 T CB -0.142 68.790 68.868 0.107 0.000 0.874 176 T HN 0.119 nan 8.240 nan 0.000 0.455 177 S N 1.555 117.270 115.700 0.025 0.000 2.372 177 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 177 S C 1.995 176.585 174.600 -0.017 0.000 1.044 177 S CA 1.041 59.234 58.200 -0.012 0.000 1.050 177 S CB -0.436 62.743 63.200 -0.035 0.000 0.901 177 S HN 0.345 nan 8.310 nan 0.000 0.447 178 I N 1.811 122.381 120.570 -0.001 0.000 2.226 178 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 178 I C 2.695 178.818 176.117 0.010 0.000 1.100 178 I CA 1.253 62.552 61.300 -0.002 0.000 1.374 178 I CB -1.904 36.096 38.000 0.000 0.000 1.057 178 I HN 0.250 nan 8.210 nan 0.000 0.413 179 A N 1.313 124.152 122.820 0.032 0.000 1.858 179 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 179 A C 2.273 179.879 177.584 0.037 0.000 1.190 179 A CA 1.257 53.328 52.037 0.056 0.000 0.617 179 A CB -0.619 18.461 19.000 0.133 0.000 0.827 179 A HN 0.229 nan 8.150 nan 0.000 0.443 180 I N 0.790 121.366 120.570 0.010 0.000 2.099 180 I HA -0.239 3.931 4.170 -0.000 0.000 0.239 180 I C 1.945 178.077 176.117 0.024 0.000 1.066 180 I CA 1.973 63.265 61.300 -0.012 0.000 1.324 180 I CB -1.676 36.324 38.000 0.001 0.000 1.037 180 I HN 0.305 nan 8.210 nan 0.000 0.401 181 D N 0.340 120.751 120.400 0.019 0.000 2.123 181 D HA -0.145 4.495 4.640 -0.000 0.000 0.196 181 D C 2.174 178.489 176.300 0.025 0.000 0.992 181 D CA 1.596 55.606 54.000 0.018 0.000 0.833 181 D CB -0.425 40.359 40.800 -0.027 0.000 0.954 181 D HN 0.279 nan 8.370 nan 0.000 0.455 182 T N 0.684 115.252 114.554 0.024 0.000 2.720 182 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 182 T C 2.150 176.884 174.700 0.056 0.000 1.037 182 T CA 0.802 62.922 62.100 0.033 0.000 1.144 182 T CB -0.260 68.623 68.868 0.024 0.000 0.864 182 T HN 0.183 nan 8.240 nan 0.000 0.444 183 I N 0.417 121.030 120.570 0.071 0.000 2.252 183 I HA -0.065 4.105 4.170 -0.000 0.000 0.245 183 I C 2.191 178.416 176.117 0.179 0.000 1.102 183 I CA 1.155 62.535 61.300 0.132 0.000 1.385 183 I CB -0.386 37.679 38.000 0.109 0.000 1.064 183 I HN 0.182 nan 8.210 nan 0.000 0.414 184 I N 0.997 121.630 120.570 0.104 0.000 2.423 184 I HA -0.293 3.877 4.170 -0.000 0.000 0.254 184 I C 2.176 178.334 176.117 0.070 0.000 1.151 184 I CA 1.239 62.595 61.300 0.094 0.000 1.421 184 I CB -0.501 37.536 38.000 0.062 0.000 1.079 184 I HN 0.329 nan 8.210 nan 0.000 0.431 185 N N 0.501 119.221 118.700 0.033 0.000 2.331 185 N HA -0.172 4.568 4.740 -0.000 0.000 0.180 185 N C 1.818 177.242 175.510 -0.144 0.000 1.019 185 N CA 1.046 54.068 53.050 -0.048 0.000 0.881 185 N CB 0.094 38.577 38.487 -0.008 0.000 0.972 185 N HN 0.212 nan 8.380 nan 0.000 0.435 186 Q N 0.535 120.304 119.800 -0.051 0.000 2.297 186 Q HA -0.088 4.252 4.340 -0.000 0.000 0.204 186 Q C 1.665 177.473 176.000 -0.321 0.000 0.962 186 Q CA 0.544 56.283 55.803 -0.107 0.000 0.879 186 Q CB -0.250 28.366 28.738 -0.202 0.000 0.947 186 Q HN 0.500 nan 8.270 nan 0.000 0.462 187 K N 1.688 121.978 120.400 -0.183 0.000 2.071 187 K HA -0.259 4.061 4.320 -0.000 0.000 0.217 187 K C 2.005 178.486 176.600 -0.200 0.000 1.054 187 K CA 2.190 58.444 56.287 -0.056 0.000 0.937 187 K CB -0.074 32.476 32.500 0.083 0.000 0.719 187 K HN 0.261 nan 8.250 nan 0.000 0.454 188 R N -0.672 119.607 120.500 -0.370 0.000 2.241 188 R HA -0.120 4.220 4.340 -0.000 0.000 0.224 188 R C 1.692 177.720 176.300 -0.453 0.000 1.101 188 R CA 1.740 57.569 56.100 -0.450 0.000 0.995 188 R CB -0.396 29.553 30.300 -0.586 0.000 0.870 188 R HN 0.248 nan 8.270 nan 0.000 0.463 189 F N 0.309 120.173 119.950 -0.143 0.000 2.437 189 F HA 0.236 4.763 4.527 -0.000 0.000 0.288 189 F C 1.854 177.546 175.800 -0.181 0.000 1.085 189 F CA -0.356 57.549 58.000 -0.157 0.000 1.430 189 F CB -0.145 38.740 39.000 -0.191 0.000 1.120 189 F HN -0.072 nan 8.300 nan 0.000 0.556 190 N N 0.390 119.031 118.700 -0.097 0.000 2.309 190 N HA -0.129 4.611 4.740 -0.000 0.000 0.182 190 N C 0.886 176.362 175.510 -0.057 0.000 1.018 190 N CA 1.170 54.113 53.050 -0.178 0.000 0.876 190 N CB -0.363 37.869 38.487 -0.425 0.000 0.972 190 N HN 0.235 nan 8.380 nan 0.000 0.434 191 D N -0.061 120.317 120.400 -0.038 0.000 2.349 191 D HA 0.072 4.712 4.640 -0.000 0.000 0.215 191 D C 1.187 177.487 176.300 -0.001 0.000 1.016 191 D CA 0.154 54.151 54.000 -0.004 0.000 0.870 191 D CB -0.055 40.742 40.800 -0.005 0.000 0.917 191 D HN 0.130 nan 8.370 nan 0.000 0.524 192 G N 0.033 108.833 108.800 -0.000 0.000 2.588 192 G HA2 0.247 4.207 3.960 -0.000 0.000 0.278 192 G HA3 0.247 4.207 3.960 -0.000 0.000 0.278 192 G C 0.857 175.770 174.900 0.021 0.000 1.307 192 G CA 0.224 45.333 45.100 0.015 0.000 1.016 192 G HN 0.158 nan 8.290 nan 0.000 0.503 193 T N -2.895 111.673 114.554 0.022 0.000 3.129 193 T HA 0.181 4.531 4.350 -0.000 0.000 0.267 193 T C -0.083 174.632 174.700 0.024 0.000 1.018 193 T CA -0.180 61.934 62.100 0.024 0.000 0.903 193 T CB 0.425 69.304 68.868 0.019 0.000 1.067 193 T HN 0.271 nan 8.240 nan 0.000 0.549 194 D N 2.051 122.465 120.400 0.023 0.000 2.428 194 D HA 0.218 4.858 4.640 -0.000 0.000 0.221 194 D C 1.088 177.397 176.300 0.015 0.000 1.123 194 D CA -0.406 53.603 54.000 0.015 0.000 0.869 194 D CB 1.141 41.944 40.800 0.005 0.000 1.032 194 D HN 0.074 nan 8.370 nan 0.000 0.506 195 E N 2.916 123.134 120.200 0.031 0.000 2.153 195 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 195 E C 1.536 178.175 176.600 0.065 0.000 0.988 195 E CA 0.593 57.026 56.400 0.055 0.000 0.811 195 E CB 0.157 29.898 29.700 0.069 0.000 0.746 195 E HN 0.477 nan 8.360 nan 0.000 0.466 196 K N 1.030 121.454 120.400 0.041 0.000 2.059 196 K HA -0.157 4.163 4.320 -0.000 0.000 0.212 196 K C 1.957 178.516 176.600 -0.068 0.000 1.050 196 K CA 1.204 57.508 56.287 0.028 0.000 0.927 196 K CB -0.124 32.366 32.500 -0.017 0.000 0.714 196 K HN 0.104 nan 8.250 nan 0.000 0.447 197 K N 0.753 121.078 120.400 -0.126 0.000 2.361 197 K HA 0.032 4.352 4.320 -0.000 0.000 0.196 197 K C 0.420 176.845 176.600 -0.291 0.000 1.039 197 K CA 0.099 56.210 56.287 -0.293 0.000 1.001 197 K CB 0.282 32.596 32.500 -0.309 0.000 0.795 197 K HN 0.101 nan 8.250 nan 0.000 0.495 198 K N 1.378 121.689 120.400 -0.149 0.000 2.469 198 K HA 0.028 4.348 4.320 -0.000 0.000 0.274 198 K C -0.500 175.919 176.600 -0.301 0.000 0.983 198 K CA 0.112 56.265 56.287 -0.224 0.000 0.974 198 K CB 0.419 32.791 32.500 -0.213 0.000 0.913 198 K HN -0.140 nan 8.250 nan 0.000 0.493 199 L N 3.740 124.664 121.223 -0.498 0.000 2.491 199 L HA 0.278 4.618 4.340 -0.000 0.000 0.267 199 L C -1.755 174.742 176.870 -0.621 0.000 0.971 199 L CA -0.401 54.185 54.840 -0.423 0.000 0.857 199 L CB 0.907 42.814 42.059 -0.254 0.000 1.226 199 L HN 0.437 nan 8.230 nan 0.000 0.408 200 Y N 3.400 123.527 120.300 -0.288 0.000 2.304 200 Y HA 0.521 5.071 4.550 -0.000 0.000 0.328 200 Y C 0.544 176.303 175.900 -0.236 0.000 1.123 200 Y CA -0.118 57.763 58.100 -0.365 0.000 1.218 200 Y CB 1.117 39.002 38.460 -0.959 0.000 1.207 200 Y HN 0.529 nan 8.280 nan 0.000 0.495 201 C N 4.270 123.632 119.300 0.104 0.000 2.435 201 C HA 0.709 5.169 4.460 -0.000 0.000 0.333 201 C C -0.323 174.730 174.990 0.106 0.000 1.202 201 C CA -0.969 58.110 59.018 0.103 0.000 1.830 201 C CB 0.293 28.141 27.740 0.180 0.000 2.326 201 C HN 0.599 nan 8.230 nan 0.000 0.507 202 I N 2.299 122.913 120.570 0.073 0.000 2.468 202 I HA 0.226 4.396 4.170 -0.000 0.000 0.284 202 I C -0.790 175.364 176.117 0.061 0.000 1.038 202 I CA -0.242 61.104 61.300 0.076 0.000 1.083 202 I CB 0.568 38.603 38.000 0.059 0.000 1.223 202 I HN 0.596 nan 8.210 nan 0.000 0.443 203 Y N 6.959 127.249 120.300 -0.017 0.000 2.454 203 Y HA 0.593 5.143 4.550 -0.000 0.000 0.345 203 Y C -0.447 175.447 175.900 -0.010 0.000 0.970 203 Y CA -0.683 57.400 58.100 -0.029 0.000 1.204 203 Y CB 0.925 39.377 38.460 -0.013 0.000 1.122 203 Y HN 0.326 nan 8.280 nan 0.000 0.514 204 V N 6.756 126.414 119.914 -0.427 0.000 2.353 204 V HA 0.508 4.628 4.120 -0.000 0.000 0.264 204 V C 0.172 175.975 176.094 -0.484 0.000 1.049 204 V CA -0.533 61.586 62.300 -0.302 0.000 0.896 204 V CB 0.398 32.169 31.823 -0.086 0.000 1.025 204 V HN 0.902 nan 8.190 nan 0.000 0.475 205 A N 7.024 129.668 122.820 -0.293 0.000 2.260 205 A HA 0.798 5.118 4.320 -0.000 0.000 0.312 205 A C -0.562 176.984 177.584 -0.063 0.000 1.321 205 A CA -0.337 51.596 52.037 -0.174 0.000 0.928 205 A CB -0.049 18.980 19.000 0.048 0.000 1.158 205 A HN 0.725 nan 8.150 nan 0.000 0.542 206 I N 2.178 122.712 120.570 -0.060 0.000 2.330 206 I HA 0.558 4.728 4.170 -0.000 0.000 0.289 206 I C 1.218 177.339 176.117 0.006 0.000 1.001 206 I CA 0.690 61.980 61.300 -0.018 0.000 1.193 206 I CB 1.542 39.529 38.000 -0.022 0.000 1.345 206 I HN 0.950 nan 8.210 nan 0.000 0.461 207 G N 3.627 112.439 108.800 0.020 0.000 2.179 207 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 207 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 207 G C 0.385 175.305 174.900 0.033 0.000 0.977 207 G CA -0.178 44.939 45.100 0.029 0.000 0.641 207 G HN 0.582 nan 8.290 nan 0.000 0.533 208 Q N 0.181 120.004 119.800 0.038 0.000 2.500 208 Q HA 0.473 4.813 4.340 -0.000 0.000 0.215 208 Q C 0.775 176.802 176.000 0.044 0.000 1.062 208 Q CA 0.225 56.057 55.803 0.048 0.000 0.996 208 Q CB 0.455 29.235 28.738 0.071 0.000 1.239 208 Q HN 0.628 nan 8.270 nan 0.000 0.578 209 K N -0.186 120.240 120.400 0.044 0.000 2.118 209 K HA 0.272 4.592 4.320 -0.000 0.000 0.267 209 K C 0.341 176.965 176.600 0.040 0.000 0.991 209 K CA -0.572 55.737 56.287 0.037 0.000 0.916 209 K CB 1.198 33.717 32.500 0.031 0.000 1.041 209 K HN 0.393 nan 8.250 nan 0.000 0.455 210 R N 0.667 121.188 120.500 0.035 0.000 2.091 210 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 210 R C 2.236 178.554 176.300 0.031 0.000 1.136 210 R CA 2.113 58.234 56.100 0.034 0.000 0.959 210 R CB -0.466 29.852 30.300 0.029 0.000 0.856 210 R HN 0.931 nan 8.270 nan 0.000 0.437 211 S N -0.297 115.418 115.700 0.026 0.000 2.423 211 S HA -0.089 4.381 4.470 -0.000 0.000 0.231 211 S C 1.861 176.474 174.600 0.022 0.000 1.014 211 S CA 1.476 59.688 58.200 0.020 0.000 0.965 211 S CB -0.176 63.035 63.200 0.017 0.000 0.785 211 S HN 0.175 nan 8.310 nan 0.000 0.495 212 T N 2.221 116.794 114.554 0.031 0.000 2.770 212 T HA 0.035 4.385 4.350 -0.000 0.000 0.263 212 T C 1.885 176.609 174.700 0.041 0.000 1.039 212 T CA 1.336 63.458 62.100 0.037 0.000 1.142 212 T CB -0.492 68.404 68.868 0.048 0.000 0.868 212 T HN 0.305 nan 8.240 nan 0.000 0.435 213 V N 1.943 121.891 119.914 0.057 0.000 2.332 213 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 213 V C 2.875 178.986 176.094 0.028 0.000 1.055 213 V CA 1.721 64.063 62.300 0.070 0.000 1.038 213 V CB -1.253 30.623 31.823 0.089 0.000 0.651 213 V HN 0.515 nan 8.190 nan 0.000 0.450 214 A N -0.721 122.110 122.820 0.018 0.000 1.877 214 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 214 A C 2.218 179.791 177.584 -0.018 0.000 1.186 214 A CA 1.663 53.700 52.037 0.001 0.000 0.620 214 A CB -0.472 18.530 19.000 0.004 0.000 0.822 214 A HN 0.541 nan 8.150 nan 0.000 0.443 215 Q N -0.627 119.162 119.800 -0.017 0.000 2.084 215 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 215 Q C 2.150 178.115 176.000 -0.057 0.000 0.978 215 Q CA 0.993 56.776 55.803 -0.033 0.000 0.844 215 Q CB -0.575 28.152 28.738 -0.018 0.000 0.898 215 Q HN 0.607 nan 8.270 nan 0.000 0.426 216 L N 0.968 122.158 121.223 -0.055 0.000 1.956 216 L HA -0.168 4.172 4.340 -0.000 0.000 0.216 216 L C 2.473 179.269 176.870 -0.123 0.000 1.073 216 L CA 2.236 57.011 54.840 -0.108 0.000 0.762 216 L CB -1.074 40.907 42.059 -0.130 0.000 0.889 216 L HN 0.238 nan 8.230 nan 0.000 0.433 217 V N -1.663 118.199 119.914 -0.087 0.000 2.913 217 V HA -0.185 3.935 4.120 -0.000 0.000 0.260 217 V C 2.536 178.581 176.094 -0.082 0.000 1.098 217 V CA 1.795 64.046 62.300 -0.081 0.000 1.121 217 V CB -0.569 31.228 31.823 -0.043 0.000 0.714 217 V HN 0.409 nan 8.190 nan 0.000 0.487 218 K N 1.382 121.736 120.400 -0.076 0.000 2.057 218 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 218 K C 2.307 178.842 176.600 -0.108 0.000 1.050 218 K CA 1.941 58.180 56.287 -0.080 0.000 0.935 218 K CB -0.520 31.938 32.500 -0.070 0.000 0.715 218 K HN 0.462 nan 8.250 nan 0.000 0.439 219 R N 0.547 120.969 120.500 -0.131 0.000 2.081 219 R HA 0.040 4.380 4.340 -0.000 0.000 0.235 219 R C 2.037 178.251 176.300 -0.144 0.000 1.131 219 R CA 1.621 57.616 56.100 -0.175 0.000 0.960 219 R CB -0.703 29.477 30.300 -0.199 0.000 0.856 219 R HN 0.328 nan 8.270 nan 0.000 0.436 220 L N -0.451 120.694 121.223 -0.131 0.000 2.141 220 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 220 L C 1.997 178.786 176.870 -0.135 0.000 1.094 220 L CA 1.604 56.364 54.840 -0.133 0.000 0.763 220 L CB -0.455 41.514 42.059 -0.150 0.000 0.908 220 L HN 0.274 nan 8.230 nan 0.000 0.437 221 T N -1.207 113.277 114.554 -0.116 0.000 2.770 221 T HA -0.146 4.204 4.350 -0.000 0.000 0.263 221 T C 1.426 176.071 174.700 -0.091 0.000 1.039 221 T CA 1.204 63.244 62.100 -0.100 0.000 1.142 221 T CB -0.165 68.656 68.868 -0.078 0.000 0.868 221 T HN 0.255 nan 8.240 nan 0.000 0.435 222 D N 1.672 122.015 120.400 -0.095 0.000 2.123 222 D HA -0.021 4.619 4.640 -0.000 0.000 0.196 222 D C 1.890 178.142 176.300 -0.081 0.000 0.992 222 D CA 1.102 55.048 54.000 -0.090 0.000 0.833 222 D CB -0.282 40.451 40.800 -0.113 0.000 0.954 222 D HN 0.418 nan 8.370 nan 0.000 0.455 223 A N 0.278 123.046 122.820 -0.086 0.000 2.302 223 A HA 0.049 4.369 4.320 -0.000 0.000 0.219 223 A C 0.414 177.961 177.584 -0.061 0.000 1.243 223 A CA 0.392 52.392 52.037 -0.061 0.000 0.856 223 A CB -0.115 18.860 19.000 -0.043 0.000 0.893 223 A HN 0.072 nan 8.150 nan 0.000 0.491 224 D N -2.228 118.124 120.400 -0.081 0.000 2.701 224 D HA -0.231 4.409 4.640 -0.000 0.000 0.235 224 D C 0.751 176.963 176.300 -0.147 0.000 1.155 224 D CA 1.067 55.015 54.000 -0.087 0.000 0.649 224 D CB -1.205 39.570 40.800 -0.042 0.000 1.050 224 D HN 0.529 nan 8.370 nan 0.000 0.425 225 A N -0.491 122.184 122.820 -0.241 0.000 2.197 225 A HA 0.143 4.463 4.320 -0.000 0.000 0.210 225 A C 2.071 179.201 177.584 -0.756 0.000 1.180 225 A CA 0.351 52.065 52.037 -0.539 0.000 0.846 225 A CB 0.009 18.846 19.000 -0.272 0.000 0.884 225 A HN 0.318 nan 8.150 nan 0.000 0.487 226 M N 1.084 120.452 119.600 -0.387 0.000 2.279 226 M HA -0.141 4.339 4.480 -0.000 0.000 0.264 226 M C 1.993 178.139 176.300 -0.258 0.000 1.062 226 M CA 1.753 56.888 55.300 -0.275 0.000 1.099 226 M CB -0.806 31.704 32.600 -0.149 0.000 1.394 226 M HN 0.697 nan 8.290 nan 0.000 0.426 227 K N 0.076 120.315 120.400 -0.268 0.000 2.360 227 K HA -0.166 4.154 4.320 -0.000 0.000 0.201 227 K C 0.809 177.431 176.600 0.037 0.000 1.046 227 K CA 1.433 57.668 56.287 -0.087 0.000 0.945 227 K CB -0.533 31.959 32.500 -0.014 0.000 0.750 227 K HN 0.487 nan 8.250 nan 0.000 0.464 228 Y N -0.693 119.654 120.300 0.079 0.000 2.682 228 Y HA 0.470 5.020 4.550 -0.000 0.000 0.251 228 Y C -0.625 175.342 175.900 0.110 0.000 1.172 228 Y CA -1.151 57.033 58.100 0.140 0.000 1.186 228 Y CB 0.020 38.522 38.460 0.070 0.000 1.216 228 Y HN -0.221 nan 8.280 nan 0.000 0.540 229 T N 2.824 117.396 114.554 0.030 0.000 2.824 229 T HA 0.592 4.942 4.350 -0.000 0.000 0.282 229 T C -0.555 174.186 174.700 0.069 0.000 0.993 229 T CA -0.395 61.741 62.100 0.060 0.000 0.967 229 T CB 1.655 70.488 68.868 -0.057 0.000 0.960 229 T HN 0.155 nan 8.240 nan 0.000 0.441 230 I N 2.728 123.365 120.570 0.111 0.000 2.339 230 I HA 0.410 4.580 4.170 -0.000 0.000 0.290 230 I C -0.338 175.843 176.117 0.107 0.000 0.994 230 I CA -0.993 60.368 61.300 0.103 0.000 1.191 230 I CB 1.563 39.639 38.000 0.128 0.000 1.343 230 I HN 0.237 nan 8.210 nan 0.000 0.458 231 V N 7.500 127.471 119.914 0.095 0.000 2.350 231 V HA 0.252 4.372 4.120 -0.000 0.000 0.276 231 V C 0.061 176.209 176.094 0.091 0.000 1.028 231 V CA -0.572 61.804 62.300 0.127 0.000 0.860 231 V CB 1.612 33.512 31.823 0.128 0.000 0.990 231 V HN 0.411 nan 8.190 nan 0.000 0.453 232 V N 4.754 124.713 119.914 0.076 0.000 2.293 232 V HA 0.391 4.511 4.120 -0.000 0.000 0.275 232 V C 0.278 176.393 176.094 0.034 0.000 1.021 232 V CA -0.075 62.255 62.300 0.048 0.000 0.815 232 V CB 1.522 33.368 31.823 0.039 0.000 1.025 232 V HN 0.851 nan 8.190 nan 0.000 0.448 233 S N 4.802 120.530 115.700 0.046 0.000 2.594 233 S HA 0.753 5.223 4.470 -0.000 0.000 0.322 233 S C -0.151 174.471 174.600 0.037 0.000 1.085 233 S CA -0.228 57.998 58.200 0.045 0.000 1.116 233 S CB 1.020 64.262 63.200 0.070 0.000 0.979 233 S HN 0.951 nan 8.310 nan 0.000 0.465 234 A N 4.722 127.557 122.820 0.025 0.000 2.316 234 A HA 0.645 4.965 4.320 -0.000 0.000 0.324 234 A C 0.551 178.149 177.584 0.024 0.000 1.375 234 A CA -0.642 51.410 52.037 0.025 0.000 0.882 234 A CB 0.102 19.115 19.000 0.021 0.000 1.152 234 A HN 0.869 nan 8.150 nan 0.000 0.512 235 T N -0.840 113.731 114.554 0.028 0.000 2.880 235 T HA 0.590 4.940 4.350 -0.000 0.000 0.279 235 T C 1.524 176.240 174.700 0.026 0.000 0.990 235 T CA 0.006 62.124 62.100 0.030 0.000 0.938 235 T CB 1.055 69.944 68.868 0.035 0.000 1.206 235 T HN 0.928 nan 8.240 nan 0.000 0.573 236 A N 0.617 123.453 122.820 0.027 0.000 2.024 236 A HA -0.012 4.308 4.320 -0.000 0.000 0.220 236 A C 2.237 179.832 177.584 0.019 0.000 1.164 236 A CA 1.671 53.722 52.037 0.024 0.000 0.643 236 A CB -1.195 17.819 19.000 0.025 0.000 0.806 236 A HN 1.006 nan 8.150 nan 0.000 0.451 237 S N -0.847 114.864 115.700 0.019 0.000 2.557 237 S HA 0.180 4.650 4.470 -0.000 0.000 0.223 237 S C -0.431 174.178 174.600 0.015 0.000 0.969 237 S CA -0.441 57.768 58.200 0.016 0.000 0.927 237 S CB -0.132 63.078 63.200 0.017 0.000 0.806 237 S HN 0.316 nan 8.310 nan 0.000 0.489 238 D N 3.096 123.505 120.400 0.015 0.000 2.308 238 D HA 0.593 5.233 4.640 -0.000 0.000 0.251 238 D C 0.431 176.728 176.300 -0.006 0.000 1.127 238 D CA 0.079 54.086 54.000 0.011 0.000 0.876 238 D CB 1.349 42.158 40.800 0.015 0.000 1.176 238 D HN 0.440 nan 8.370 nan 0.000 0.446 239 A N 2.196 125.005 122.820 -0.020 0.000 2.583 239 A HA 0.279 4.599 4.320 -0.000 0.000 0.231 239 A C 1.603 179.146 177.584 -0.070 0.000 1.065 239 A CA 0.527 52.537 52.037 -0.045 0.000 0.760 239 A CB 0.057 19.022 19.000 -0.059 0.000 1.001 239 A HN 0.683 nan 8.150 nan 0.000 0.509 240 A N 2.890 125.678 122.820 -0.054 0.000 1.881 240 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 240 A C 0.155 177.719 177.584 -0.033 0.000 1.215 240 A CA 2.191 54.210 52.037 -0.030 0.000 0.648 240 A CB -1.793 17.190 19.000 -0.029 0.000 0.832 240 A HN 0.721 nan 8.150 nan 0.000 0.455 241 P HA -0.090 nan 4.420 nan 0.000 0.222 241 P C 1.446 178.630 177.300 -0.194 0.000 1.147 241 P CA 0.852 63.873 63.100 -0.133 0.000 0.790 241 P CB -0.155 31.272 31.700 -0.454 0.000 0.780 242 L N -0.448 120.603 121.223 -0.287 0.000 2.023 242 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 242 L C 2.921 179.785 176.870 -0.010 0.000 1.073 242 L CA 1.407 56.160 54.840 -0.146 0.000 0.745 242 L CB -1.168 40.833 42.059 -0.097 0.000 0.900 242 L HN -0.067 nan 8.230 nan 0.000 0.435 243 Q N -0.855 118.953 119.800 0.014 0.000 2.197 243 Q HA -0.281 4.059 4.340 -0.000 0.000 0.207 243 Q C 2.074 178.138 176.000 0.106 0.000 0.984 243 Q CA 2.000 57.833 55.803 0.051 0.000 0.869 243 Q CB -0.394 28.377 28.738 0.054 0.000 0.906 243 Q HN 0.488 nan 8.270 nan 0.000 0.426 244 Y N 1.166 121.474 120.300 0.013 0.000 2.114 244 Y HA -0.181 4.369 4.550 0.000 0.000 0.284 244 Y C 1.724 177.706 175.900 0.136 0.000 1.143 244 Y CA 1.381 59.522 58.100 0.069 0.000 1.135 244 Y CB -0.363 38.146 38.460 0.082 0.000 0.980 244 Y HN -0.019 nan 8.280 nan 0.000 0.499 245 L N -0.206 120.943 121.223 -0.124 0.000 2.131 245 L HA -0.046 4.294 4.340 -0.000 0.000 0.206 245 L C 2.815 179.691 176.870 0.011 0.000 1.087 245 L CA 0.771 55.533 54.840 -0.130 0.000 0.767 245 L CB -1.093 40.933 42.059 -0.054 0.000 0.917 245 L HN 0.333 nan 8.230 nan 0.000 0.441 246 A N 1.249 124.068 122.820 -0.003 0.000 1.906 246 A HA -0.257 4.063 4.320 -0.000 0.000 0.222 246 A C -0.060 177.500 177.584 -0.040 0.000 1.282 246 A CA 2.663 54.697 52.037 -0.004 0.000 0.675 246 A CB -2.176 16.822 19.000 -0.004 0.000 0.838 246 A HN 0.290 nan 8.150 nan 0.000 0.469 247 P HA -0.157 nan 4.420 nan 0.000 0.215 247 P C 1.033 178.162 177.300 -0.285 0.000 1.153 247 P CA 1.547 64.470 63.100 -0.295 0.000 0.853 247 P CB -0.250 30.982 31.700 -0.781 0.000 0.788 248 Y N -0.230 119.991 120.300 -0.131 0.000 2.145 248 Y HA -0.160 4.390 4.550 -0.000 0.000 0.286 248 Y C 2.686 178.569 175.900 -0.028 0.000 1.145 248 Y CA 1.439 59.475 58.100 -0.106 0.000 1.148 248 Y CB -1.364 36.978 38.460 -0.196 0.000 0.981 248 Y HN -0.092 nan 8.280 nan 0.000 0.507 249 S N 0.049 115.816 115.700 0.111 0.000 2.359 249 S HA -0.242 4.228 4.470 -0.000 0.000 0.223 249 S C 2.383 177.032 174.600 0.083 0.000 1.039 249 S CA 1.428 59.676 58.200 0.081 0.000 1.042 249 S CB -1.169 62.069 63.200 0.063 0.000 0.915 249 S HN 0.681 nan 8.310 nan 0.000 0.439 250 G N -0.028 108.825 108.800 0.088 0.000 2.408 250 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 250 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 250 G C 1.715 176.693 174.900 0.129 0.000 1.150 250 G CA 0.981 46.141 45.100 0.100 0.000 0.776 250 G HN 0.593 nan 8.290 nan 0.000 0.542 251 C N 0.653 120.054 119.300 0.168 0.000 2.413 251 C HA -0.044 4.416 4.460 -0.000 0.000 0.276 251 C C 3.263 178.337 174.990 0.141 0.000 1.236 251 C CA 1.802 60.927 59.018 0.179 0.000 1.735 251 C CB -0.968 26.881 27.740 0.182 0.000 2.031 251 C HN 0.359 nan 8.230 nan 0.000 0.474 252 S N 0.476 116.247 115.700 0.119 0.000 2.370 252 S HA -0.196 4.274 4.470 -0.000 0.000 0.226 252 S C 1.730 176.386 174.600 0.094 0.000 1.033 252 S CA 2.123 60.381 58.200 0.096 0.000 1.011 252 S CB -0.407 62.836 63.200 0.072 0.000 0.852 252 S HN 0.668 nan 8.310 nan 0.000 0.457 253 M N 0.777 120.433 119.600 0.093 0.000 2.159 253 M HA -0.058 4.422 4.480 -0.000 0.000 0.263 253 M C 2.307 178.732 176.300 0.207 0.000 1.063 253 M CA 1.469 56.820 55.300 0.085 0.000 1.110 253 M CB -0.593 32.062 32.600 0.093 0.000 1.374 253 M HN 0.434 nan 8.290 nan 0.000 0.411 254 G N -0.644 108.320 108.800 0.274 0.000 2.650 254 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.214 254 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.214 254 G C 1.303 176.416 174.900 0.355 0.000 1.136 254 G CA 0.241 45.594 45.100 0.422 0.000 0.789 254 G HN 0.468 nan 8.290 nan 0.000 0.536 255 E N -0.730 119.596 120.200 0.210 0.000 2.230 255 E HA -0.033 4.317 4.350 -0.000 0.000 0.192 255 E C 1.769 178.426 176.600 0.095 0.000 0.987 255 E CA 0.000 56.486 56.400 0.142 0.000 0.841 255 E CB -0.140 29.620 29.700 0.101 0.000 0.783 255 E HN 0.566 nan 8.360 nan 0.000 0.481 256 Y N 0.708 120.946 120.300 -0.103 0.000 2.151 256 Y HA -0.332 4.218 4.550 -0.000 0.000 0.284 256 Y C 1.624 177.369 175.900 -0.258 0.000 1.166 256 Y CA 1.804 59.751 58.100 -0.256 0.000 1.163 256 Y CB -0.312 37.864 38.460 -0.474 0.000 0.974 256 Y HN -0.043 nan 8.280 nan 0.000 0.511 257 F N -0.026 119.995 119.950 0.117 0.000 2.060 257 F HA -0.128 4.399 4.527 -0.000 0.000 0.295 257 F C 2.811 178.566 175.800 -0.074 0.000 1.120 257 F CA 1.689 59.696 58.000 0.011 0.000 1.205 257 F CB -0.808 38.273 39.000 0.134 0.000 0.986 257 F HN -0.145 nan 8.300 nan 0.000 0.470 258 R N 0.706 121.316 120.500 0.183 0.000 2.113 258 R HA -0.223 4.117 4.340 -0.000 0.000 0.244 258 R C 1.523 177.823 176.300 -0.001 0.000 1.142 258 R CA 2.393 58.534 56.100 0.069 0.000 0.953 258 R CB -0.514 29.840 30.300 0.090 0.000 0.860 258 R HN 0.227 nan 8.270 nan 0.000 0.438 259 D N -0.151 120.231 120.400 -0.030 0.000 2.234 259 D HA -0.035 4.605 4.640 -0.000 0.000 0.205 259 D C 0.345 176.578 176.300 -0.112 0.000 0.962 259 D CA 0.775 54.748 54.000 -0.045 0.000 0.855 259 D CB -0.111 40.663 40.800 -0.043 0.000 0.951 259 D HN 0.209 nan 8.370 nan 0.000 0.500 260 N N 0.346 118.913 118.700 -0.222 0.000 2.758 260 N HA 0.203 4.943 4.740 -0.000 0.000 0.293 260 N C 0.845 176.263 175.510 -0.153 0.000 1.273 260 N CA 0.216 53.117 53.050 -0.248 0.000 1.022 260 N CB 0.955 39.154 38.487 -0.479 0.000 1.334 260 N HN 0.119 nan 8.380 nan 0.000 0.519 261 G N 0.584 109.319 108.800 -0.109 0.000 2.168 261 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.263 261 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.263 261 G C 0.284 175.084 174.900 -0.167 0.000 0.977 261 G CA 0.558 45.595 45.100 -0.103 0.000 0.659 261 G HN 0.379 nan 8.290 nan 0.000 0.533 262 K N -0.480 119.835 120.400 -0.141 0.000 2.280 262 K HA 0.635 4.955 4.320 -0.000 0.000 0.234 262 K C -0.464 176.007 176.600 -0.216 0.000 1.028 262 K CA -0.981 55.249 56.287 -0.094 0.000 0.882 262 K CB 0.992 33.632 32.500 0.234 0.000 1.194 262 K HN 0.274 nan 8.250 nan 0.000 0.458 263 H N -0.184 118.992 119.070 0.178 0.000 2.489 263 H HA 0.517 5.073 4.556 -0.000 0.000 0.343 263 H C -0.978 174.371 175.328 0.035 0.000 1.086 263 H CA -0.662 55.431 56.048 0.074 0.000 1.198 263 H CB 1.902 31.650 29.762 -0.023 0.000 1.490 263 H HN 0.657 nan 8.280 nan 0.000 0.504 264 A N 3.158 126.059 122.820 0.134 0.000 2.401 264 A HA 0.564 4.884 4.320 -0.000 0.000 0.310 264 A C -1.287 176.309 177.584 0.021 0.000 1.075 264 A CA -0.682 51.369 52.037 0.022 0.000 0.746 264 A CB 1.881 20.948 19.000 0.111 0.000 1.277 264 A HN 0.499 nan 8.150 nan 0.000 0.425 265 L N 1.775 122.987 121.223 -0.019 0.000 2.365 265 L HA 0.854 5.194 4.340 -0.000 0.000 0.273 265 L C -1.130 175.706 176.870 -0.056 0.000 1.000 265 L CA -0.490 54.330 54.840 -0.033 0.000 0.819 265 L CB 1.471 43.511 42.059 -0.031 0.000 1.284 265 L HN 0.693 nan 8.230 nan 0.000 0.418 266 I N 4.888 125.379 120.570 -0.133 0.000 2.499 266 I HA 0.522 4.692 4.170 -0.000 0.000 0.288 266 I C -1.402 174.457 176.117 -0.429 0.000 1.048 266 I CA -0.480 60.652 61.300 -0.280 0.000 1.062 266 I CB 1.571 39.351 38.000 -0.366 0.000 1.238 266 I HN 0.601 nan 8.210 nan 0.000 0.426 267 I N 8.108 128.454 120.570 -0.372 0.000 2.339 267 I HA 0.284 4.454 4.170 -0.000 0.000 0.290 267 I C -1.080 174.743 176.117 -0.490 0.000 0.994 267 I CA -0.087 61.013 61.300 -0.333 0.000 1.191 267 I CB 1.106 39.086 38.000 -0.033 0.000 1.343 267 I HN 0.352 nan 8.210 nan 0.000 0.458 268 Y N 4.361 124.548 120.300 -0.188 0.000 2.404 268 Y HA 0.393 4.943 4.550 0.000 0.000 0.344 268 Y C 0.012 175.768 175.900 -0.240 0.000 0.970 268 Y CA -0.615 57.341 58.100 -0.240 0.000 1.180 268 Y CB 0.882 39.203 38.460 -0.232 0.000 1.138 268 Y HN 0.413 nan 8.280 nan 0.000 0.510 269 D N 3.982 124.277 120.400 -0.176 0.000 2.404 269 D HA 0.181 4.821 4.640 -0.000 0.000 0.267 269 D C -1.353 174.889 176.300 -0.096 0.000 1.194 269 D CA -0.443 53.464 54.000 -0.155 0.000 0.910 269 D CB 0.371 41.035 40.800 -0.228 0.000 1.090 269 D HN 0.713 nan 8.370 nan 0.000 0.511 270 D N 0.299 120.672 120.400 -0.046 0.000 2.592 270 D HA 0.289 4.929 4.640 -0.000 0.000 0.263 270 D C 0.846 177.112 176.300 -0.057 0.000 1.132 270 D CA -0.727 53.245 54.000 -0.045 0.000 0.996 270 D CB 1.097 41.881 40.800 -0.026 0.000 1.442 270 D HN 0.081 nan 8.370 nan 0.000 0.486 271 L N -0.124 121.034 121.223 -0.108 0.000 2.307 271 L HA 0.013 4.353 4.340 -0.000 0.000 0.211 271 L C 1.963 178.815 176.870 -0.031 0.000 1.099 271 L CA 0.374 55.112 54.840 -0.170 0.000 0.816 271 L CB -0.350 41.405 42.059 -0.507 0.000 0.952 271 L HN 0.419 nan 8.230 nan 0.000 0.455 272 S N 0.587 116.274 115.700 -0.021 0.000 2.369 272 S HA -0.251 4.219 4.470 -0.000 0.000 0.225 272 S C 1.935 176.594 174.600 0.098 0.000 1.043 272 S CA 1.647 59.874 58.200 0.045 0.000 1.074 272 S CB -0.170 63.051 63.200 0.036 0.000 0.962 272 S HN 0.372 nan 8.310 nan 0.000 0.433 273 K N 0.796 121.238 120.400 0.071 0.000 2.097 273 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 273 K C 2.496 179.157 176.600 0.102 0.000 1.049 273 K CA 0.967 57.302 56.287 0.081 0.000 0.933 273 K CB -0.167 32.363 32.500 0.050 0.000 0.717 273 K HN 0.358 nan 8.250 nan 0.000 0.442 274 Q N 0.646 120.504 119.800 0.096 0.000 2.084 274 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 274 Q C 2.084 178.203 176.000 0.199 0.000 0.978 274 Q CA 1.552 57.434 55.803 0.131 0.000 0.844 274 Q CB -0.078 28.714 28.738 0.090 0.000 0.898 274 Q HN 0.327 nan 8.270 nan 0.000 0.426 275 A N 0.122 123.071 122.820 0.214 0.000 1.908 275 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 275 A C 2.258 180.048 177.584 0.344 0.000 1.181 275 A CA 1.641 53.812 52.037 0.224 0.000 0.627 275 A CB -0.872 18.188 19.000 0.100 0.000 0.818 275 A HN 0.298 nan 8.150 nan 0.000 0.445 276 V N -0.156 119.929 119.914 0.286 0.000 2.332 276 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 276 V C 3.052 179.224 176.094 0.131 0.000 1.055 276 V CA 2.081 64.504 62.300 0.205 0.000 1.038 276 V CB -1.226 30.680 31.823 0.138 0.000 0.651 276 V HN 0.647 nan 8.190 nan 0.000 0.450 277 A N -1.107 121.795 122.820 0.137 0.000 1.877 277 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 277 A C 2.171 179.814 177.584 0.099 0.000 1.186 277 A CA 2.124 54.223 52.037 0.103 0.000 0.620 277 A CB -0.774 18.300 19.000 0.123 0.000 0.822 277 A HN 0.608 nan 8.150 nan 0.000 0.443 278 Y N 0.496 120.796 120.300 -0.001 0.000 2.200 278 Y HA -0.181 4.369 4.550 0.000 0.000 0.290 278 Y C 2.524 178.390 175.900 -0.056 0.000 1.137 278 Y CA 1.948 59.983 58.100 -0.109 0.000 1.163 278 Y CB -0.437 37.966 38.460 -0.094 0.000 0.988 278 Y HN 0.366 nan 8.280 nan 0.000 0.518 279 R N 0.357 120.877 120.500 0.034 0.000 2.103 279 R HA -0.277 4.063 4.340 -0.000 0.000 0.242 279 R C 2.420 178.628 176.300 -0.153 0.000 1.142 279 R CA 2.091 58.149 56.100 -0.071 0.000 0.960 279 R CB -0.531 29.734 30.300 -0.059 0.000 0.858 279 R HN 0.554 nan 8.270 nan 0.000 0.439 280 Q N 0.311 120.051 119.800 -0.100 0.000 2.014 280 Q HA -0.257 4.083 4.340 -0.000 0.000 0.207 280 Q C 2.176 178.094 176.000 -0.137 0.000 0.993 280 Q CA 2.501 58.245 55.803 -0.098 0.000 0.850 280 Q CB -0.144 28.561 28.738 -0.055 0.000 0.916 280 Q HN 0.457 nan 8.270 nan 0.000 0.417 281 M N -0.070 119.424 119.600 -0.176 0.000 2.080 281 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 281 M C 2.325 178.472 176.300 -0.255 0.000 1.068 281 M CA 1.918 57.095 55.300 -0.205 0.000 1.109 281 M CB -0.063 32.391 32.600 -0.244 0.000 1.342 281 M HN 0.175 nan 8.290 nan 0.000 0.405 282 S N 0.658 116.124 115.700 -0.391 0.000 2.355 282 S HA -0.083 4.387 4.470 -0.000 0.000 0.222 282 S C 1.856 176.343 174.600 -0.188 0.000 1.031 282 S CA 1.165 59.157 58.200 -0.346 0.000 0.993 282 S CB -0.594 62.336 63.200 -0.450 0.000 0.859 282 S HN 0.398 nan 8.310 nan 0.000 0.453 283 L N 0.892 122.017 121.223 -0.162 0.000 2.079 283 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 283 L C 2.267 179.086 176.870 -0.085 0.000 1.081 283 L CA 1.105 55.880 54.840 -0.109 0.000 0.752 283 L CB -0.548 41.449 42.059 -0.104 0.000 0.896 283 L HN 0.275 nan 8.230 nan 0.000 0.433 284 L N -0.824 120.345 121.223 -0.089 0.000 2.179 284 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 284 L C 2.228 179.067 176.870 -0.053 0.000 1.096 284 L CA 0.559 55.361 54.840 -0.063 0.000 0.779 284 L CB -0.168 41.857 42.059 -0.057 0.000 0.922 284 L HN 0.245 nan 8.230 nan 0.000 0.443 285 L N -0.529 120.652 121.223 -0.070 0.000 2.633 285 L HA -0.087 4.253 4.340 -0.000 0.000 0.235 285 L C 0.884 177.728 176.870 -0.043 0.000 1.163 285 L CA 0.365 55.174 54.840 -0.053 0.000 0.859 285 L CB -0.344 41.673 42.059 -0.071 0.000 0.973 285 L HN 0.284 nan 8.230 nan 0.000 0.451 286 R N -0.198 120.272 120.500 -0.049 0.000 3.770 286 R HA -0.159 4.181 4.340 -0.000 0.000 0.305 286 R C 0.092 176.372 176.300 -0.035 0.000 1.184 286 R CA 0.418 56.495 56.100 -0.038 0.000 0.823 286 R CB -1.330 28.956 30.300 -0.023 0.000 1.285 286 R HN 0.374 nan 8.270 nan 0.000 0.499 287 R N 0.575 121.045 120.500 -0.050 0.000 2.615 287 R HA 0.209 4.549 4.340 -0.000 0.000 0.270 287 R C -2.109 174.171 176.300 -0.032 0.000 1.081 287 R CA -1.560 54.516 56.100 -0.039 0.000 1.154 287 R CB 0.283 30.547 30.300 -0.060 0.000 1.063 287 R HN -0.120 nan 8.270 nan 0.000 0.519 288 P HA 0.100 nan 4.420 nan 0.000 0.276 288 P C -2.364 174.936 177.300 -0.001 0.000 1.243 288 P CA -1.154 61.943 63.100 -0.006 0.000 0.768 288 P CB 0.219 31.922 31.700 0.005 0.000 0.856 289 P HA 0.195 nan 4.420 nan 0.000 0.276 289 P C 0.170 177.474 177.300 0.007 0.000 1.235 289 P CA 0.248 63.343 63.100 -0.009 0.000 0.772 289 P CB 1.150 32.832 31.700 -0.030 0.000 0.871 290 G N 2.513 111.334 108.800 0.034 0.000 3.135 290 G HA2 0.347 4.307 3.960 -0.000 0.000 0.159 290 G HA3 0.347 4.307 3.960 -0.000 0.000 0.159 290 G C -0.530 174.364 174.900 -0.010 0.000 1.244 290 G CA -0.889 44.219 45.100 0.013 0.000 0.965 290 G HN 0.537 nan 8.290 nan 0.000 0.599 291 R N 0.540 120.979 120.500 -0.102 0.000 2.583 291 R HA 0.051 4.391 4.340 -0.000 0.000 0.274 291 R C 0.121 176.472 176.300 0.086 0.000 0.998 291 R CA 0.909 56.934 56.100 -0.124 0.000 1.081 291 R CB -0.187 29.862 30.300 -0.418 0.000 0.940 291 R HN 0.689 nan 8.270 nan 0.000 0.413 292 E N 2.478 122.732 120.200 0.090 0.000 2.450 292 E HA -0.332 4.018 4.350 -0.000 0.000 0.244 292 E C 0.301 176.856 176.600 -0.076 0.000 1.226 292 E CA 0.510 56.976 56.400 0.111 0.000 0.720 292 E CB -1.236 28.667 29.700 0.339 0.000 1.254 292 E HN 0.847 nan 8.360 nan 0.000 0.399 293 A N -2.206 120.577 122.820 -0.060 0.000 2.829 293 A HA -0.308 4.012 4.320 -0.000 0.000 0.267 293 A C 0.021 177.510 177.584 -0.158 0.000 1.370 293 A CA 1.784 53.747 52.037 -0.123 0.000 0.900 293 A CB -2.173 16.727 19.000 -0.167 0.000 1.044 293 A HN 0.485 nan 8.150 nan 0.000 0.691 294 Y N -0.006 120.369 120.300 0.126 0.000 2.301 294 Y HA 0.485 5.035 4.550 0.000 0.000 0.328 294 Y C -1.295 174.700 175.900 0.158 0.000 1.242 294 Y CA -1.402 56.807 58.100 0.181 0.000 1.323 294 Y CB 0.627 39.309 38.460 0.370 0.000 1.266 294 Y HN 0.251 nan 8.280 nan 0.000 0.527 295 P HA 0.130 nan 4.420 nan 0.000 0.281 295 P C 0.414 177.876 177.300 0.271 0.000 1.281 295 P CA -0.408 62.812 63.100 0.199 0.000 0.811 295 P CB 0.904 32.662 31.700 0.096 0.000 1.154 296 G N 0.309 109.229 108.800 0.201 0.000 2.559 296 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.216 296 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.216 296 G C 0.500 175.543 174.900 0.239 0.000 1.126 296 G CA 0.405 45.627 45.100 0.203 0.000 0.778 296 G HN 0.617 nan 8.290 nan 0.000 0.543 297 D N -0.034 120.537 120.400 0.285 0.000 2.388 297 D HA 0.100 4.740 4.640 -0.000 0.000 0.221 297 D C 1.728 178.221 176.300 0.322 0.000 1.133 297 D CA -0.433 53.783 54.000 0.359 0.000 0.831 297 D CB 0.122 41.179 40.800 0.429 0.000 0.962 297 D HN 0.075 nan 8.370 nan 0.000 0.502 298 V N -0.211 119.864 119.914 0.268 0.000 2.358 298 V HA -0.129 3.991 4.120 -0.000 0.000 0.246 298 V C 1.883 177.930 176.094 -0.078 0.000 1.047 298 V CA 1.325 63.667 62.300 0.069 0.000 1.035 298 V CB -0.640 31.198 31.823 0.025 0.000 0.658 298 V HN 0.236 nan 8.190 nan 0.000 0.452 299 F N -0.329 119.571 119.950 -0.083 0.000 2.126 299 F HA -0.272 4.255 4.527 -0.000 0.000 0.299 299 F C 2.237 178.086 175.800 0.081 0.000 1.096 299 F CA 2.438 60.422 58.000 -0.027 0.000 1.255 299 F CB -0.405 38.617 39.000 0.036 0.000 0.997 299 F HN 0.366 nan 8.300 nan 0.000 0.479 300 Y N 0.501 120.956 120.300 0.259 0.000 2.181 300 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 300 Y C 2.119 178.030 175.900 0.018 0.000 1.146 300 Y CA 1.442 59.639 58.100 0.162 0.000 1.164 300 Y CB -1.034 37.510 38.460 0.139 0.000 0.982 300 Y HN 0.189 nan 8.280 nan 0.000 0.515 301 L N 0.011 121.185 121.223 -0.081 0.000 1.956 301 L HA -0.307 4.033 4.340 -0.000 0.000 0.216 301 L C 2.440 179.260 176.870 -0.085 0.000 1.073 301 L CA 2.568 57.272 54.840 -0.227 0.000 0.762 301 L CB -1.041 40.769 42.059 -0.415 0.000 0.889 301 L HN 0.349 nan 8.230 nan 0.000 0.433 302 H N -1.962 117.011 119.070 -0.161 0.000 2.395 302 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 302 H C 2.361 177.537 175.328 -0.253 0.000 1.070 302 H CA 0.948 56.840 56.048 -0.260 0.000 1.356 302 H CB 0.042 29.605 29.762 -0.332 0.000 1.401 302 H HN 0.542 nan 8.280 nan 0.000 0.524 303 S N 1.429 117.045 115.700 -0.139 0.000 2.402 303 S HA -0.192 4.278 4.470 -0.000 0.000 0.229 303 S C 2.084 176.697 174.600 0.022 0.000 1.021 303 S CA 1.087 59.217 58.200 -0.117 0.000 0.974 303 S CB -0.163 62.992 63.200 -0.075 0.000 0.800 303 S HN 0.546 nan 8.310 nan 0.000 0.484 304 R N 0.410 120.950 120.500 0.066 0.000 2.153 304 R HA 0.178 4.518 4.340 -0.000 0.000 0.218 304 R C 2.268 178.620 176.300 0.087 0.000 1.072 304 R CA 0.922 57.068 56.100 0.076 0.000 0.990 304 R CB -0.694 29.608 30.300 0.003 0.000 0.889 304 R HN 0.421 nan 8.270 nan 0.000 0.452 305 L N 1.439 122.714 121.223 0.087 0.000 1.976 305 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 305 L C 2.078 178.916 176.870 -0.052 0.000 1.071 305 L CA 1.712 56.528 54.840 -0.038 0.000 0.746 305 L CB -0.316 41.492 42.059 -0.418 0.000 0.890 305 L HN 0.223 nan 8.230 nan 0.000 0.432 306 L N -0.619 120.561 121.223 -0.071 0.000 2.376 306 L HA -0.050 4.290 4.340 -0.000 0.000 0.219 306 L C 2.382 179.259 176.870 0.011 0.000 1.133 306 L CA 0.333 55.158 54.840 -0.024 0.000 0.816 306 L CB -0.615 41.402 42.059 -0.070 0.000 0.933 306 L HN 0.275 nan 8.230 nan 0.000 0.449 307 E N 0.567 120.779 120.200 0.019 0.000 2.268 307 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 307 E C 2.111 178.732 176.600 0.036 0.000 0.995 307 E CA 0.717 57.135 56.400 0.031 0.000 0.836 307 E CB 0.005 29.732 29.700 0.045 0.000 0.763 307 E HN 0.448 nan 8.360 nan 0.000 0.491 308 R N 0.429 120.958 120.500 0.048 0.000 2.280 308 R HA 0.063 4.403 4.340 -0.000 0.000 0.207 308 R C 0.789 177.125 176.300 0.061 0.000 1.043 308 R CA 0.394 56.529 56.100 0.057 0.000 1.006 308 R CB 0.054 30.400 30.300 0.077 0.000 0.885 308 R HN -0.065 nan 8.270 nan 0.000 0.467 309 A N 1.045 123.900 122.820 0.059 0.000 2.401 309 A HA 0.646 4.966 4.320 -0.000 0.000 0.259 309 A C -0.269 177.335 177.584 0.032 0.000 1.103 309 A CA 0.009 52.077 52.037 0.051 0.000 0.789 309 A CB 0.603 19.631 19.000 0.047 0.000 1.035 309 A HN 0.271 nan 8.150 nan 0.000 0.491 310 A N 1.952 124.790 122.820 0.031 0.000 2.590 310 A HA 0.617 4.937 4.320 -0.000 0.000 0.294 310 A C -0.992 176.606 177.584 0.024 0.000 1.046 310 A CA -0.739 51.308 52.037 0.016 0.000 0.684 310 A CB 0.969 19.968 19.000 -0.000 0.000 1.279 310 A HN 0.888 nan 8.150 nan 0.000 0.415 311 K N 2.440 122.848 120.400 0.013 0.000 2.281 311 K HA 0.592 4.912 4.320 -0.000 0.000 0.272 311 K C -0.488 176.113 176.600 -0.000 0.000 1.048 311 K CA -0.411 55.891 56.287 0.025 0.000 0.898 311 K CB 0.272 32.786 32.500 0.023 0.000 1.128 311 K HN 0.618 nan 8.250 nan 0.000 0.460 312 M N 3.315 122.919 119.600 0.008 0.000 2.235 312 M HA 0.178 4.658 4.480 -0.000 0.000 0.351 312 M C 0.380 176.694 176.300 0.024 0.000 1.178 312 M CA -0.616 54.676 55.300 -0.013 0.000 1.143 312 M CB 0.397 33.011 32.600 0.024 0.000 1.530 312 M HN 0.711 nan 8.290 nan 0.000 0.461 313 N N 1.438 120.150 118.700 0.019 0.000 2.327 313 N HA 0.075 4.815 4.740 -0.000 0.000 0.257 313 N C 0.145 175.724 175.510 0.114 0.000 1.281 313 N CA -0.226 52.862 53.050 0.063 0.000 0.942 313 N CB 0.462 38.984 38.487 0.057 0.000 1.199 313 N HN 0.422 nan 8.380 nan 0.000 0.532 314 D N -0.688 119.767 120.400 0.092 0.000 2.144 314 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 314 D C 1.781 178.134 176.300 0.088 0.000 0.978 314 D CA 1.591 55.636 54.000 0.076 0.000 0.833 314 D CB -0.653 40.177 40.800 0.049 0.000 0.961 314 D HN 0.692 nan 8.370 nan 0.000 0.470 315 A N 0.509 123.404 122.820 0.125 0.000 1.958 315 A HA -0.213 4.107 4.320 -0.000 0.000 0.221 315 A C 1.660 179.262 177.584 0.029 0.000 1.178 315 A CA 1.300 53.396 52.037 0.099 0.000 0.642 315 A CB -0.836 18.276 19.000 0.185 0.000 0.816 315 A HN 0.199 nan 8.150 nan 0.000 0.453 316 F N -1.536 118.406 119.950 -0.014 0.000 2.693 316 F HA 0.405 4.932 4.527 0.000 0.000 0.303 316 F C 1.773 177.553 175.800 -0.034 0.000 1.097 316 F CA 0.617 58.604 58.000 -0.022 0.000 1.330 316 F CB 0.613 39.604 39.000 -0.016 0.000 1.067 316 F HN 0.397 nan 8.300 nan 0.000 0.565 317 G N -0.768 108.087 108.800 0.092 0.000 2.316 317 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.203 317 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.203 317 G C 1.276 176.187 174.900 0.018 0.000 0.999 317 G CA -0.144 44.971 45.100 0.026 0.000 0.649 317 G HN 0.927 nan 8.290 nan 0.000 0.489 318 G N -0.264 108.567 108.800 0.052 0.000 2.184 318 G HA2 0.158 4.118 3.960 -0.000 0.000 0.264 318 G HA3 0.158 4.118 3.960 -0.000 0.000 0.264 318 G C 1.523 176.423 174.900 0.001 0.000 0.975 318 G CA 1.210 46.335 45.100 0.041 0.000 0.642 318 G HN 2.080 nan 8.290 nan 0.000 0.536 319 G N -0.569 108.187 108.800 -0.074 0.000 2.588 319 G HA2 0.747 4.707 3.960 -0.000 0.000 0.278 319 G HA3 0.747 4.707 3.960 -0.000 0.000 0.278 319 G C 0.270 175.138 174.900 -0.054 0.000 1.307 319 G CA 0.948 45.909 45.100 -0.232 0.000 1.016 319 G HN 1.918 nan 8.290 nan 0.000 0.503 320 S N -2.005 113.690 115.700 -0.008 0.000 2.567 320 S HA 0.528 4.998 4.470 -0.000 0.000 0.270 320 S C -1.711 172.970 174.600 0.135 0.000 1.152 320 S CA -0.766 57.511 58.200 0.128 0.000 0.835 320 S CB 1.700 65.049 63.200 0.248 0.000 1.115 320 S HN 1.338 nan 8.310 nan 0.000 0.459 321 L N 1.907 123.190 121.223 0.101 0.000 2.404 321 L HA 0.748 5.088 4.340 -0.000 0.000 0.272 321 L C -0.790 176.110 176.870 0.051 0.000 0.980 321 L CA 0.220 55.114 54.840 0.090 0.000 0.836 321 L CB 1.794 43.911 42.059 0.097 0.000 1.238 321 L HN 0.883 nan 8.230 nan 0.000 0.408 322 T N 4.341 118.910 114.554 0.026 0.000 2.795 322 T HA 0.817 5.167 4.350 -0.000 0.000 0.282 322 T C -0.149 174.526 174.700 -0.042 0.000 0.980 322 T CA -0.219 61.877 62.100 -0.007 0.000 1.012 322 T CB 1.381 70.236 68.868 -0.021 0.000 0.936 322 T HN 0.808 nan 8.240 nan 0.000 0.457 323 A N 3.588 126.383 122.820 -0.043 0.000 2.318 323 A HA 0.742 5.062 4.320 -0.000 0.000 0.324 323 A C -0.388 177.148 177.584 -0.081 0.000 1.170 323 A CA -0.778 51.206 52.037 -0.088 0.000 0.810 323 A CB 0.467 19.474 19.000 0.011 0.000 1.198 323 A HN 0.882 nan 8.150 nan 0.000 0.484 324 L N 4.738 125.882 121.223 -0.131 0.000 2.435 324 L HA 0.330 4.670 4.340 -0.000 0.000 0.253 324 L C -2.311 174.511 176.870 -0.081 0.000 1.087 324 L CA -1.763 53.025 54.840 -0.088 0.000 0.950 324 L CB 1.299 43.318 42.059 -0.068 0.000 1.304 324 L HN 0.495 nan 8.230 nan 0.000 0.453 325 P HA 0.136 nan 4.420 nan 0.000 0.275 325 P C -0.473 176.799 177.300 -0.047 0.000 1.228 325 P CA -0.129 62.994 63.100 0.039 0.000 0.786 325 P CB 2.134 33.830 31.700 -0.006 0.000 0.927 326 V N 4.546 124.431 119.914 -0.049 0.000 2.513 326 V HA 0.411 4.531 4.120 -0.000 0.000 0.299 326 V C 0.312 176.354 176.094 -0.087 0.000 1.035 326 V CA -0.592 61.671 62.300 -0.061 0.000 0.889 326 V CB 1.696 33.502 31.823 -0.028 0.000 0.988 326 V HN 0.426 nan 8.190 nan 0.000 0.440 327 I N 3.314 123.836 120.570 -0.081 0.000 2.533 327 I HA 0.418 4.588 4.170 -0.000 0.000 0.290 327 I C -0.086 176.011 176.117 -0.033 0.000 1.056 327 I CA -0.532 60.724 61.300 -0.074 0.000 1.057 327 I CB 2.077 40.018 38.000 -0.097 0.000 1.240 327 I HN 0.744 nan 8.210 nan 0.000 0.423 328 E N 4.568 124.762 120.200 -0.011 0.000 2.200 328 E HA 0.402 4.752 4.350 -0.000 0.000 0.283 328 E C -0.488 176.129 176.600 0.027 0.000 1.015 328 E CA -0.362 56.045 56.400 0.012 0.000 0.819 328 E CB 1.081 30.794 29.700 0.021 0.000 1.081 328 E HN 0.676 nan 8.360 nan 0.000 0.397 329 T N 2.199 116.777 114.554 0.039 0.000 2.874 329 T HA 0.300 4.650 4.350 -0.000 0.000 0.281 329 T C -0.161 174.572 174.700 0.056 0.000 0.994 329 T CA -1.019 61.115 62.100 0.057 0.000 1.015 329 T CB 1.264 70.177 68.868 0.075 0.000 1.028 329 T HN 0.342 nan 8.240 nan 0.000 0.523 330 Q N 0.467 120.305 119.800 0.063 0.000 2.357 330 Q HA 0.538 4.878 4.340 -0.000 0.000 0.266 330 Q C 0.179 176.212 176.000 0.054 0.000 1.021 330 Q CA -0.403 55.434 55.803 0.057 0.000 0.784 330 Q CB 1.206 29.982 28.738 0.062 0.000 1.243 330 Q HN 1.202 nan 8.270 nan 0.000 0.465 331 A N 2.146 124.995 122.820 0.048 0.000 2.610 331 A HA -0.101 4.219 4.320 -0.000 0.000 0.299 331 A C 1.048 178.661 177.584 0.049 0.000 1.487 331 A CA 1.074 53.138 52.037 0.045 0.000 0.743 331 A CB -2.145 16.879 19.000 0.041 0.000 1.070 331 A HN 1.568 nan 8.150 nan 0.000 0.439 332 G N -0.692 108.141 108.800 0.056 0.000 2.305 332 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.287 332 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.287 332 G C -0.125 174.814 174.900 0.064 0.000 1.036 332 G CA 0.997 46.135 45.100 0.063 0.000 0.887 332 G HN 1.723 nan 8.290 nan 0.000 0.505 333 D N 0.119 120.562 120.400 0.071 0.000 2.499 333 D HA 0.396 5.036 4.640 -0.000 0.000 0.225 333 D C 1.690 178.045 176.300 0.092 0.000 1.124 333 D CA 0.029 54.073 54.000 0.073 0.000 0.938 333 D CB 0.541 41.384 40.800 0.071 0.000 1.014 333 D HN 0.480 nan 8.370 nan 0.000 0.517 334 V N 0.891 120.868 119.914 0.105 0.000 3.510 334 V HA 0.068 4.188 4.120 -0.000 0.000 0.270 334 V C 1.377 177.544 176.094 0.121 0.000 1.201 334 V CA 0.547 62.931 62.300 0.140 0.000 1.166 334 V CB -0.162 31.786 31.823 0.208 0.000 0.825 334 V HN 0.281 nan 8.190 nan 0.000 0.484 335 S N 0.499 116.259 115.700 0.101 0.000 2.557 335 S HA 0.630 5.100 4.470 -0.000 0.000 0.223 335 S C 1.058 175.729 174.600 0.118 0.000 0.969 335 S CA 0.270 58.530 58.200 0.101 0.000 0.927 335 S CB -0.061 63.185 63.200 0.078 0.000 0.806 335 S HN 0.856 nan 8.310 nan 0.000 0.489 336 A N 0.170 123.064 122.820 0.123 0.000 2.332 336 A HA 0.441 4.761 4.320 -0.000 0.000 0.258 336 A C 0.703 178.408 177.584 0.202 0.000 1.087 336 A CA -0.335 51.794 52.037 0.153 0.000 0.802 336 A CB -0.022 19.059 19.000 0.135 0.000 1.042 336 A HN 0.530 nan 8.150 nan 0.000 0.489 337 Y N 0.982 121.325 120.300 0.071 0.000 2.081 337 Y HA -0.245 4.305 4.550 0.000 0.000 0.280 337 Y C 1.756 177.657 175.900 0.002 0.000 1.163 337 Y CA 1.896 60.027 58.100 0.051 0.000 1.135 337 Y CB 0.010 38.514 38.460 0.074 0.000 0.970 337 Y HN 0.546 nan 8.280 nan 0.000 0.498 338 I N 0.422 120.901 120.570 -0.152 0.000 2.202 338 I HA -0.153 4.017 4.170 -0.000 0.000 0.242 338 I C -0.617 175.436 176.117 -0.107 0.000 1.091 338 I CA 1.107 62.245 61.300 -0.270 0.000 1.368 338 I CB -2.756 35.075 38.000 -0.283 0.000 1.058 338 I HN 0.200 nan 8.210 nan 0.000 0.410 339 P HA -0.136 nan 4.420 nan 0.000 0.215 339 P C 1.842 179.157 177.300 0.025 0.000 1.157 339 P CA 1.855 64.956 63.100 0.002 0.000 0.874 339 P CB -0.197 31.535 31.700 0.053 0.000 0.790 340 T N -0.544 114.054 114.554 0.073 0.000 2.665 340 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 340 T C 1.564 176.333 174.700 0.116 0.000 1.035 340 T CA 1.839 64.011 62.100 0.120 0.000 1.151 340 T CB -1.014 67.968 68.868 0.190 0.000 0.862 340 T HN 0.135 nan 8.240 nan 0.000 0.438 341 N N 0.880 119.616 118.700 0.060 0.000 2.025 341 N HA -0.077 4.663 4.740 -0.000 0.000 0.194 341 N C 1.963 177.401 175.510 -0.120 0.000 1.044 341 N CA 0.976 54.041 53.050 0.026 0.000 0.851 341 N CB -1.020 37.399 38.487 -0.112 0.000 1.036 341 N HN 0.217 nan 8.380 nan 0.000 0.422 342 V N 1.545 121.376 119.914 -0.140 0.000 2.427 342 V HA -0.102 4.018 4.120 -0.000 0.000 0.248 342 V C 2.228 178.254 176.094 -0.113 0.000 1.051 342 V CA 0.960 63.151 62.300 -0.182 0.000 1.048 342 V CB -0.499 31.182 31.823 -0.236 0.000 0.666 342 V HN 0.249 nan 8.190 nan 0.000 0.456 343 I N 0.369 120.904 120.570 -0.058 0.000 2.151 343 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 343 I C 2.737 178.863 176.117 0.015 0.000 1.080 343 I CA 2.034 63.322 61.300 -0.021 0.000 1.339 343 I CB -0.487 37.540 38.000 0.044 0.000 1.039 343 I HN 0.386 nan 8.210 nan 0.000 0.409 344 S N 0.915 116.648 115.700 0.055 0.000 2.382 344 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 344 S C 1.989 176.637 174.600 0.079 0.000 1.027 344 S CA 1.261 59.530 58.200 0.114 0.000 0.991 344 S CB -0.259 63.090 63.200 0.247 0.000 0.823 344 S HN 0.337 nan 8.310 nan 0.000 0.469 345 I N 1.383 121.941 120.570 -0.019 0.000 2.333 345 I HA -0.038 4.132 4.170 -0.000 0.000 0.246 345 I C 1.494 177.589 176.117 -0.037 0.000 1.106 345 I CA 0.881 62.140 61.300 -0.067 0.000 1.411 345 I CB -0.654 37.202 38.000 -0.241 0.000 1.082 345 I HN 0.406 nan 8.210 nan 0.000 0.420 346 T N -1.757 112.765 114.554 -0.053 0.000 2.748 346 T HA 0.019 4.369 4.350 -0.000 0.000 0.304 346 T C 0.566 175.254 174.700 -0.019 0.000 1.041 346 T CA -0.397 61.676 62.100 -0.045 0.000 1.033 346 T CB 0.668 69.493 68.868 -0.072 0.000 0.995 346 T HN 0.094 nan 8.240 nan 0.000 0.536 347 D N 0.168 120.557 120.400 -0.019 0.000 2.339 347 D HA 0.326 4.966 4.640 -0.000 0.000 0.217 347 D C 0.944 177.240 176.300 -0.007 0.000 1.050 347 D CA 0.404 54.401 54.000 -0.006 0.000 0.856 347 D CB 0.220 41.016 40.800 -0.007 0.000 0.922 347 D HN 0.903 nan 8.370 nan 0.000 0.518 348 G N 0.172 108.958 108.800 -0.023 0.000 2.321 348 G HA2 0.305 4.265 3.960 -0.000 0.000 0.298 348 G HA3 0.305 4.265 3.960 -0.000 0.000 0.298 348 G C -1.944 172.901 174.900 -0.092 0.000 1.385 348 G CA -0.833 44.252 45.100 -0.026 0.000 0.856 348 G HN -0.070 nan 8.290 nan 0.000 0.584 349 Q N -0.633 119.086 119.800 -0.134 0.000 2.331 349 Q HA 0.644 4.984 4.340 -0.000 0.000 0.272 349 Q C -0.546 175.263 176.000 -0.318 0.000 1.062 349 Q CA -0.436 55.144 55.803 -0.371 0.000 0.806 349 Q CB 2.648 30.895 28.738 -0.817 0.000 1.312 349 Q HN 0.582 nan 8.270 nan 0.000 0.431 350 I N 3.374 123.769 120.570 -0.292 0.000 2.287 350 I HA 0.321 4.491 4.170 -0.000 0.000 0.290 350 I C -0.808 175.184 176.117 -0.209 0.000 1.069 350 I CA -0.399 60.812 61.300 -0.149 0.000 1.237 350 I CB 0.189 38.149 38.000 -0.067 0.000 1.418 350 I HN 0.457 nan 8.210 nan 0.000 0.481 351 F N 6.729 126.683 119.950 0.007 0.000 2.410 351 F HA 0.485 5.012 4.527 -0.000 0.000 0.348 351 F C 0.172 175.980 175.800 0.014 0.000 1.106 351 F CA -0.475 57.531 58.000 0.009 0.000 1.163 351 F CB 0.743 39.749 39.000 0.011 0.000 1.129 351 F HN 0.168 nan 8.300 nan 0.000 0.516 352 L N 3.077 124.409 121.223 0.183 0.000 2.346 352 L HA 0.578 4.918 4.340 -0.000 0.000 0.274 352 L C -0.574 176.363 176.870 0.110 0.000 1.007 352 L CA -0.795 54.118 54.840 0.121 0.000 0.818 352 L CB 2.064 44.168 42.059 0.076 0.000 1.284 352 L HN 0.589 nan 8.230 nan 0.000 0.424 353 E N 0.284 120.541 120.200 0.094 0.000 2.256 353 E HA 0.302 4.652 4.350 -0.000 0.000 0.267 353 E C -0.109 176.533 176.600 0.070 0.000 0.892 353 E CA -0.560 55.886 56.400 0.076 0.000 0.775 353 E CB 2.426 32.168 29.700 0.069 0.000 1.207 353 E HN 0.538 nan 8.360 nan 0.000 0.420 354 T N 0.844 115.429 114.554 0.051 0.000 2.904 354 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 354 T C 1.517 176.304 174.700 0.145 0.000 1.059 354 T CA 1.143 63.267 62.100 0.041 0.000 1.137 354 T CB 0.041 68.957 68.868 0.080 0.000 0.879 354 T HN 0.528 nan 8.240 nan 0.000 0.467 355 E N 1.063 121.350 120.200 0.144 0.000 2.017 355 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 355 E C 2.115 178.804 176.600 0.147 0.000 0.997 355 E CA 1.022 57.520 56.400 0.163 0.000 0.804 355 E CB -0.241 29.523 29.700 0.107 0.000 0.757 355 E HN 0.425 nan 8.360 nan 0.000 0.448 356 L N 0.137 121.422 121.223 0.103 0.000 2.012 356 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 356 L C 2.529 179.431 176.870 0.053 0.000 1.073 356 L CA 1.314 56.198 54.840 0.073 0.000 0.748 356 L CB -0.659 41.436 42.059 0.059 0.000 0.891 356 L HN 0.220 nan 8.230 nan 0.000 0.431 357 F N 0.354 120.229 119.950 -0.125 0.000 2.045 357 F HA -0.377 4.150 4.527 0.000 0.000 0.297 357 F C 2.308 177.936 175.800 -0.286 0.000 1.114 357 F CA 2.036 59.865 58.000 -0.284 0.000 1.207 357 F CB -0.453 38.238 39.000 -0.515 0.000 0.964 357 F HN -0.037 nan 8.300 nan 0.000 0.486 358 Y N -0.505 119.948 120.300 0.255 0.000 2.516 358 Y HA -0.020 4.530 4.550 0.000 0.000 0.291 358 Y C 2.087 178.017 175.900 0.050 0.000 1.131 358 Y CA 0.503 58.692 58.100 0.149 0.000 1.281 358 Y CB -0.382 38.188 38.460 0.183 0.000 1.013 358 Y HN -0.013 nan 8.280 nan 0.000 0.554 359 K N -0.154 120.330 120.400 0.139 0.000 2.442 359 K HA -0.044 4.276 4.320 -0.000 0.000 0.198 359 K C 1.537 178.150 176.600 0.022 0.000 1.044 359 K CA 0.925 57.258 56.287 0.077 0.000 0.948 359 K CB -0.266 32.271 32.500 0.063 0.000 0.762 359 K HN 0.510 nan 8.250 nan 0.000 0.472 360 G N 0.994 109.768 108.800 -0.044 0.000 2.176 360 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.232 360 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.232 360 G C 0.089 174.911 174.900 -0.130 0.000 0.986 360 G CA -0.293 44.746 45.100 -0.101 0.000 0.643 360 G HN 0.137 nan 8.290 nan 0.000 0.522 361 I N 2.025 122.533 120.570 -0.105 0.000 2.357 361 I HA 0.319 4.489 4.170 -0.000 0.000 0.300 361 I C 0.708 176.732 176.117 -0.156 0.000 1.159 361 I CA 0.447 61.697 61.300 -0.084 0.000 1.339 361 I CB -0.795 37.193 38.000 -0.020 0.000 1.458 361 I HN 0.164 nan 8.210 nan 0.000 0.577 362 R N 7.284 127.674 120.500 -0.183 0.000 2.532 362 R HA 0.453 4.793 4.340 -0.000 0.000 0.297 362 R C -2.569 173.663 176.300 -0.113 0.000 0.984 362 R CA -1.680 54.292 56.100 -0.213 0.000 0.884 362 R CB 2.434 32.497 30.300 -0.395 0.000 1.182 362 R HN 0.281 nan 8.270 nan 0.000 0.442 363 P HA 0.008 nan 4.420 nan 0.000 0.269 363 P C -0.219 177.082 177.300 0.001 0.000 1.215 363 P CA -0.148 62.937 63.100 -0.025 0.000 0.780 363 P CB 0.874 32.569 31.700 -0.008 0.000 0.898 364 A N 3.689 126.548 122.820 0.065 0.000 2.543 364 A HA 0.160 4.480 4.320 -0.000 0.000 0.258 364 A C 0.904 178.536 177.584 0.079 0.000 1.391 364 A CA -0.341 51.748 52.037 0.086 0.000 1.066 364 A CB -1.446 17.672 19.000 0.196 0.000 0.972 364 A HN 0.474 nan 8.150 nan 0.000 0.560 365 I N 1.073 121.679 120.570 0.061 0.000 2.533 365 I HA -0.023 4.147 4.170 -0.000 0.000 0.284 365 I C 0.509 176.672 176.117 0.077 0.000 1.109 365 I CA -0.319 61.025 61.300 0.075 0.000 1.412 365 I CB 0.310 38.344 38.000 0.058 0.000 1.396 365 I HN 0.264 nan 8.210 nan 0.000 0.543 366 N N 6.469 125.230 118.700 0.102 0.000 2.399 366 N HA 0.037 4.777 4.740 -0.000 0.000 0.259 366 N C 0.637 176.193 175.510 0.078 0.000 1.160 366 N CA 0.151 53.245 53.050 0.074 0.000 0.946 366 N CB 1.363 39.879 38.487 0.048 0.000 1.156 366 N HN 0.445 nan 8.380 nan 0.000 0.489 367 V N 3.724 123.670 119.914 0.055 0.000 2.427 367 V HA -0.102 4.018 4.120 -0.000 0.000 0.248 367 V C 2.080 178.199 176.094 0.043 0.000 1.051 367 V CA 2.233 64.565 62.300 0.054 0.000 1.048 367 V CB -0.697 31.155 31.823 0.049 0.000 0.666 367 V HN 0.812 nan 8.190 nan 0.000 0.456 368 G N -1.017 107.792 108.800 0.016 0.000 2.403 368 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.216 368 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.216 368 G C 1.525 176.416 174.900 -0.016 0.000 1.154 368 G CA 0.632 45.728 45.100 -0.007 0.000 0.784 368 G HN 0.454 nan 8.290 nan 0.000 0.538 369 L N 0.507 121.708 121.223 -0.037 0.000 2.221 369 L HA 0.147 4.487 4.340 -0.000 0.000 0.202 369 L C 1.253 178.214 176.870 0.151 0.000 1.074 369 L CA -0.027 54.740 54.840 -0.121 0.000 0.795 369 L CB -0.305 41.457 42.059 -0.495 0.000 0.960 369 L HN 0.042 nan 8.230 nan 0.000 0.458 370 S N 0.005 115.897 115.700 0.320 0.000 2.558 370 S HA 0.223 4.693 4.470 -0.000 0.000 0.288 370 S C -0.179 174.545 174.600 0.206 0.000 1.318 370 S CA -0.040 58.389 58.200 0.382 0.000 1.056 370 S CB 1.737 65.073 63.200 0.226 0.000 0.853 370 S HN 0.099 nan 8.310 nan 0.000 0.505 371 V N 1.416 121.426 119.914 0.159 0.000 3.232 371 V HA 0.823 4.943 4.120 -0.000 0.000 0.303 371 V C -1.307 174.815 176.094 0.046 0.000 1.311 371 V CA -0.502 61.854 62.300 0.094 0.000 1.061 371 V CB 2.618 34.504 31.823 0.104 0.000 1.085 371 V HN 0.826 nan 8.190 nan 0.000 0.447 372 S N 2.618 118.337 115.700 0.032 0.000 2.750 372 S HA 0.499 4.969 4.470 -0.000 0.000 0.276 372 S C 0.258 174.868 174.600 0.015 0.000 1.165 372 S CA -0.595 57.613 58.200 0.014 0.000 1.047 372 S CB 1.430 64.633 63.200 0.006 0.000 1.056 372 S HN 0.760 nan 8.310 nan 0.000 0.481 373 R N 2.827 123.335 120.500 0.014 0.000 2.276 373 R HA 0.054 4.394 4.340 -0.000 0.000 0.203 373 R C 1.563 177.868 176.300 0.009 0.000 1.017 373 R CA 0.784 56.893 56.100 0.015 0.000 1.010 373 R CB -0.150 30.161 30.300 0.019 0.000 0.900 373 R HN 0.535 nan 8.270 nan 0.000 0.469 374 V N 0.425 120.341 119.914 0.003 0.000 2.307 374 V HA -0.069 4.051 4.120 -0.000 0.000 0.245 374 V C 1.621 177.714 176.094 -0.001 0.000 1.045 374 V CA 1.683 63.983 62.300 -0.002 0.000 1.024 374 V CB -0.878 30.941 31.823 -0.008 0.000 0.651 374 V HN 0.678 nan 8.190 nan 0.000 0.449 375 G N 0.046 108.846 108.800 0.000 0.000 2.552 375 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.265 375 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.265 375 G C 0.925 175.824 174.900 -0.001 0.000 1.234 375 G CA 0.384 45.486 45.100 0.003 0.000 0.944 375 G HN 0.360 nan 8.290 nan 0.000 0.568 376 S N 0.316 116.017 115.700 0.001 0.000 2.413 376 S HA -0.150 4.320 4.470 -0.000 0.000 0.237 376 S C 2.734 177.331 174.600 -0.006 0.000 1.044 376 S CA 2.473 60.672 58.200 -0.001 0.000 1.024 376 S CB -0.667 62.534 63.200 0.001 0.000 0.829 376 S HN 1.822 nan 8.310 nan 0.000 0.475 377 A N 0.252 123.068 122.820 -0.007 0.000 2.225 377 A HA 0.266 4.586 4.320 -0.000 0.000 0.215 377 A C 1.728 179.301 177.584 -0.020 0.000 1.164 377 A CA 1.359 53.389 52.037 -0.011 0.000 0.710 377 A CB -0.420 18.575 19.000 -0.009 0.000 0.780 377 A HN 0.532 nan 8.150 nan 0.000 0.473 378 A N -1.362 121.445 122.820 -0.022 0.000 2.564 378 A HA 0.425 4.745 4.320 -0.000 0.000 0.279 378 A C 0.439 178.003 177.584 -0.035 0.000 1.232 378 A CA -0.289 51.727 52.037 -0.034 0.000 0.950 378 A CB 0.171 19.151 19.000 -0.033 0.000 1.138 378 A HN 0.513 nan 8.150 nan 0.000 0.526 379 Q N 0.745 120.530 119.800 -0.025 0.000 2.306 379 Q HA 0.452 4.792 4.340 -0.000 0.000 0.265 379 Q C -0.127 175.861 176.000 -0.021 0.000 1.022 379 Q CA -0.591 55.200 55.803 -0.020 0.000 0.853 379 Q CB 1.873 30.607 28.738 -0.007 0.000 1.327 379 Q HN 0.486 nan 8.270 nan 0.000 0.449 380 T N -1.307 113.235 114.554 -0.020 0.000 2.856 380 T HA 0.153 4.503 4.350 -0.000 0.000 0.306 380 T C 0.986 175.683 174.700 -0.005 0.000 1.062 380 T CA -0.396 61.694 62.100 -0.017 0.000 1.083 380 T CB 0.835 69.694 68.868 -0.015 0.000 0.984 380 T HN 0.576 nan 8.240 nan 0.000 0.542 381 R N 0.973 121.471 120.500 -0.004 0.000 2.127 381 R HA -0.078 4.262 4.340 -0.000 0.000 0.238 381 R C 2.681 178.988 176.300 0.012 0.000 1.134 381 R CA 1.231 57.333 56.100 0.004 0.000 0.975 381 R CB -0.794 29.507 30.300 0.002 0.000 0.865 381 R HN 0.840 nan 8.270 nan 0.000 0.447 382 A N 1.012 123.839 122.820 0.013 0.000 1.855 382 A HA -0.188 4.132 4.320 -0.000 0.000 0.215 382 A C 2.094 179.697 177.584 0.031 0.000 1.191 382 A CA 1.263 53.313 52.037 0.023 0.000 0.613 382 A CB -0.360 18.650 19.000 0.017 0.000 0.829 382 A HN 0.173 nan 8.150 nan 0.000 0.442 383 M N 0.145 119.759 119.600 0.023 0.000 2.067 383 M HA -0.088 4.392 4.480 -0.000 0.000 0.260 383 M C 1.964 178.278 176.300 0.023 0.000 1.069 383 M CA 2.177 57.492 55.300 0.025 0.000 1.117 383 M CB -0.668 31.943 32.600 0.018 0.000 1.334 383 M HN 0.420 nan 8.290 nan 0.000 0.407 384 K N -0.538 119.872 120.400 0.015 0.000 2.107 384 K HA -0.301 4.019 4.320 -0.000 0.000 0.211 384 K C 2.183 178.793 176.600 0.017 0.000 1.049 384 K CA 2.225 58.519 56.287 0.013 0.000 0.927 384 K CB -0.317 32.188 32.500 0.008 0.000 0.714 384 K HN 0.636 nan 8.250 nan 0.000 0.452 385 Q N 0.271 120.085 119.800 0.023 0.000 1.942 385 Q HA -0.156 4.184 4.340 -0.000 0.000 0.203 385 Q C 2.131 178.148 176.000 0.028 0.000 0.987 385 Q CA 2.413 58.232 55.803 0.027 0.000 0.844 385 Q CB -0.082 28.679 28.738 0.037 0.000 0.911 385 Q HN 0.349 nan 8.270 nan 0.000 0.423 386 V N -1.265 118.675 119.914 0.043 0.000 2.407 386 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 386 V C 2.238 178.345 176.094 0.023 0.000 1.055 386 V CA 1.749 64.073 62.300 0.040 0.000 1.049 386 V CB -1.591 30.277 31.823 0.075 0.000 0.662 386 V HN 0.421 nan 8.190 nan 0.000 0.455 387 A N 1.639 124.474 122.820 0.024 0.000 1.883 387 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 387 A C 2.438 180.029 177.584 0.012 0.000 1.186 387 A CA 2.173 54.221 52.037 0.018 0.000 0.624 387 A CB -1.616 17.395 19.000 0.018 0.000 0.822 387 A HN 0.740 nan 8.150 nan 0.000 0.444 388 G N -1.355 107.451 108.800 0.010 0.000 2.462 388 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.220 388 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.220 388 G C 1.483 176.384 174.900 0.001 0.000 1.121 388 G CA 1.716 46.820 45.100 0.007 0.000 0.758 388 G HN 0.485 nan 8.290 nan 0.000 0.559 389 T N 0.636 115.188 114.554 -0.003 0.000 2.735 389 T HA -0.014 4.336 4.350 -0.000 0.000 0.256 389 T C 2.279 176.970 174.700 -0.015 0.000 1.042 389 T CA 0.989 63.080 62.100 -0.014 0.000 1.147 389 T CB -0.286 68.566 68.868 -0.027 0.000 0.865 389 T HN 0.165 nan 8.240 nan 0.000 0.421 390 M N 1.232 120.824 119.600 -0.014 0.000 2.089 390 M HA -0.253 4.227 4.480 -0.000 0.000 0.257 390 M C 2.364 178.664 176.300 0.001 0.000 1.071 390 M CA 1.889 57.181 55.300 -0.013 0.000 1.096 390 M CB -0.242 32.355 32.600 -0.005 0.000 1.330 390 M HN 0.145 nan 8.290 nan 0.000 0.403 391 K N 0.019 120.424 120.400 0.007 0.000 2.020 391 K HA -0.253 4.067 4.320 -0.000 0.000 0.212 391 K C 1.861 178.470 176.600 0.014 0.000 1.050 391 K CA 1.955 58.251 56.287 0.014 0.000 0.929 391 K CB -0.396 32.112 32.500 0.014 0.000 0.714 391 K HN 0.360 nan 8.250 nan 0.000 0.443 392 L N 1.509 122.737 121.223 0.007 0.000 2.056 392 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 392 L C 1.841 178.717 176.870 0.010 0.000 1.078 392 L CA 1.796 56.640 54.840 0.006 0.000 0.749 392 L CB -0.289 41.770 42.059 -0.000 0.000 0.901 392 L HN 0.246 nan 8.230 nan 0.000 0.433 393 E N -0.675 119.526 120.200 0.002 0.000 2.106 393 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 393 E C 2.254 178.873 176.600 0.032 0.000 0.984 393 E CA 1.205 57.604 56.400 -0.002 0.000 0.806 393 E CB -0.164 29.515 29.700 -0.035 0.000 0.750 393 E HN 0.493 nan 8.360 nan 0.000 0.458 394 L N 0.217 121.467 121.223 0.045 0.000 2.217 394 L HA -0.084 4.256 4.340 -0.000 0.000 0.211 394 L C 2.372 179.320 176.870 0.131 0.000 1.107 394 L CA 0.504 55.419 54.840 0.124 0.000 0.783 394 L CB -0.212 41.907 42.059 0.100 0.000 0.919 394 L HN 0.157 nan 8.230 nan 0.000 0.442 395 A N -0.286 122.571 122.820 0.061 0.000 1.873 395 A HA -0.222 4.098 4.320 -0.000 0.000 0.215 395 A C 2.155 179.748 177.584 0.015 0.000 1.186 395 A CA 1.263 53.315 52.037 0.026 0.000 0.616 395 A CB -0.343 18.664 19.000 0.012 0.000 0.823 395 A HN 0.444 nan 8.150 nan 0.000 0.442 396 Q N -2.037 117.782 119.800 0.032 0.000 2.291 396 Q HA -0.149 4.191 4.340 -0.000 0.000 0.205 396 Q C 1.876 177.904 176.000 0.047 0.000 0.970 396 Q CA 1.412 57.228 55.803 0.023 0.000 0.876 396 Q CB -0.301 28.453 28.738 0.026 0.000 0.935 396 Q HN 0.826 nan 8.270 nan 0.000 0.455 397 Y N 1.438 121.700 120.300 -0.063 0.000 2.133 397 Y HA -0.127 4.423 4.550 0.000 0.000 0.287 397 Y C 1.970 177.807 175.900 -0.105 0.000 1.134 397 Y CA 1.435 59.489 58.100 -0.075 0.000 1.133 397 Y CB -0.069 38.358 38.460 -0.056 0.000 0.987 397 Y HN -0.151 nan 8.280 nan 0.000 0.502 398 R N 0.314 120.690 120.500 -0.207 0.000 2.127 398 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 398 R C 2.112 178.245 176.300 -0.279 0.000 1.134 398 R CA 1.667 57.579 56.100 -0.313 0.000 0.975 398 R CB -0.222 29.981 30.300 -0.161 0.000 0.865 398 R HN 0.511 nan 8.270 nan 0.000 0.447 399 E N -0.480 119.600 120.200 -0.200 0.000 2.204 399 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 399 E C 1.491 177.847 176.600 -0.407 0.000 0.990 399 E CA 1.145 57.419 56.400 -0.210 0.000 0.821 399 E CB 0.262 29.897 29.700 -0.109 0.000 0.750 399 E HN 0.133 nan 8.360 nan 0.000 0.477 400 V N -0.085 119.558 119.914 -0.453 0.000 3.379 400 V HA 0.107 4.227 4.120 -0.000 0.000 0.249 400 V C 1.881 177.555 176.094 -0.699 0.000 1.184 400 V CA 0.812 62.701 62.300 -0.685 0.000 1.106 400 V CB 0.365 32.042 31.823 -0.242 0.000 0.826 400 V HN 0.220 nan 8.190 nan 0.000 0.465 401 A N 0.581 123.056 122.820 -0.575 0.000 2.255 401 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 401 A C 2.132 179.558 177.584 -0.264 0.000 1.175 401 A CA 2.017 53.739 52.037 -0.524 0.000 0.682 401 A CB -0.381 18.119 19.000 -0.834 0.000 0.784 401 A HN 0.603 nan 8.150 nan 0.000 0.482 402 A N -1.330 121.317 122.820 -0.289 0.000 2.095 402 A HA 0.331 4.651 4.320 -0.000 0.000 0.212 402 A C 1.419 179.171 177.584 0.281 0.000 1.162 402 A CA 0.225 52.255 52.037 -0.013 0.000 0.753 402 A CB -0.338 18.663 19.000 0.001 0.000 0.840 402 A HN 0.561 nan 8.150 nan 0.000 0.468 403 F N -0.266 119.715 119.950 0.052 0.000 2.725 403 F HA 0.230 4.757 4.527 -0.000 0.000 0.303 403 F C 2.155 178.021 175.800 0.109 0.000 1.167 403 F CA -0.180 57.873 58.000 0.088 0.000 1.403 403 F CB -0.048 38.984 39.000 0.053 0.000 1.077 403 F HN 0.304 nan 8.300 nan 0.000 0.537 404 A N 0.779 123.744 122.820 0.241 0.000 1.832 404 A HA -0.146 4.174 4.320 -0.000 0.000 0.214 404 A C 2.021 179.678 177.584 0.122 0.000 1.204 404 A CA 1.018 53.152 52.037 0.160 0.000 0.606 404 A CB -0.448 18.622 19.000 0.116 0.000 0.849 404 A HN 0.378 nan 8.150 nan 0.000 0.445 405 Q N -1.977 117.885 119.800 0.104 0.000 2.360 405 Q HA 0.203 4.543 4.340 -0.000 0.000 0.202 405 Q C -0.347 175.429 176.000 -0.372 0.000 0.915 405 Q CA 0.190 55.917 55.803 -0.126 0.000 0.943 405 Q CB 0.215 28.833 28.738 -0.200 0.000 1.064 405 Q HN 0.688 nan 8.270 nan 0.000 0.511 406 F N -0.793 119.198 119.950 0.068 0.000 2.791 406 F HA 0.339 4.866 4.527 -0.000 0.000 0.316 406 F C 0.674 176.502 175.800 0.046 0.000 1.134 406 F CA -0.614 57.416 58.000 0.050 0.000 1.222 406 F CB 1.407 40.435 39.000 0.047 0.000 1.034 406 F HN -0.161 nan 8.300 nan 0.000 0.516 407 G N -0.307 108.593 108.800 0.167 0.000 2.788 407 G HA2 0.402 4.362 3.960 -0.000 0.000 0.327 407 G HA3 0.402 4.362 3.960 -0.000 0.000 0.327 407 G C 0.237 175.180 174.900 0.072 0.000 1.249 407 G CA -0.214 44.964 45.100 0.130 0.000 1.063 407 G HN 0.164 nan 8.290 nan 0.000 0.497 408 S N 1.198 116.929 115.700 0.052 0.000 2.499 408 S HA 0.075 4.545 4.470 -0.000 0.000 0.225 408 S C 0.695 175.310 174.600 0.025 0.000 1.050 408 S CA 0.145 58.363 58.200 0.030 0.000 0.928 408 S CB 0.495 63.708 63.200 0.021 0.000 0.803 408 S HN 0.525 nan 8.310 nan 0.000 0.506 409 D N 2.143 122.558 120.400 0.025 0.000 3.008 409 D HA 0.314 4.954 4.640 -0.000 0.000 0.312 409 D C -0.930 175.381 176.300 0.017 0.000 1.361 409 D CA -0.086 53.924 54.000 0.015 0.000 0.858 409 D CB 0.395 41.199 40.800 0.006 0.000 1.098 409 D HN 0.217 nan 8.370 nan 0.000 0.482 410 L N 0.664 121.906 121.223 0.033 0.000 2.399 410 L HA 0.268 4.608 4.340 -0.000 0.000 0.266 410 L C 0.724 177.615 176.870 0.035 0.000 1.114 410 L CA -0.918 53.949 54.840 0.045 0.000 0.804 410 L CB 0.270 42.377 42.059 0.080 0.000 1.146 410 L HN -0.043 nan 8.230 nan 0.000 0.451 411 D N 0.531 120.953 120.400 0.036 0.000 2.357 411 D HA 0.355 4.995 4.640 -0.000 0.000 0.242 411 D C 1.003 177.320 176.300 0.029 0.000 1.153 411 D CA -0.026 53.991 54.000 0.027 0.000 0.918 411 D CB 0.919 41.734 40.800 0.025 0.000 1.181 411 D HN 0.644 nan 8.370 nan 0.000 0.435 412 A N 1.358 124.188 122.820 0.017 0.000 1.978 412 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 412 A C 2.174 179.765 177.584 0.012 0.000 1.170 412 A CA 1.839 53.882 52.037 0.011 0.000 0.636 412 A CB -1.240 17.761 19.000 0.002 0.000 0.810 412 A HN 0.703 nan 8.150 nan 0.000 0.448 413 A N -0.211 122.619 122.820 0.017 0.000 1.855 413 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 413 A C 2.390 179.993 177.584 0.032 0.000 1.191 413 A CA 2.326 54.373 52.037 0.018 0.000 0.613 413 A CB -1.375 17.636 19.000 0.018 0.000 0.829 413 A HN 0.728 nan 8.150 nan 0.000 0.442 414 T N -2.369 112.218 114.554 0.055 0.000 3.035 414 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 414 T C 1.730 176.480 174.700 0.083 0.000 1.109 414 T CA 1.384 63.535 62.100 0.085 0.000 1.119 414 T CB -0.193 68.758 68.868 0.138 0.000 0.900 414 T HN 0.552 nan 8.240 nan 0.000 0.503 415 Q N 0.068 119.903 119.800 0.058 0.000 2.269 415 Q HA 0.007 4.347 4.340 -0.000 0.000 0.201 415 Q C 2.372 178.384 176.000 0.020 0.000 0.946 415 Q CA 0.822 56.652 55.803 0.046 0.000 0.877 415 Q CB -0.027 28.730 28.738 0.032 0.000 0.963 415 Q HN 0.477 nan 8.270 nan 0.000 0.472 416 Q N 0.495 120.300 119.800 0.007 0.000 2.212 416 Q HA -0.030 4.310 4.340 -0.000 0.000 0.199 416 Q C 1.624 177.609 176.000 -0.025 0.000 0.950 416 Q CA 1.006 56.797 55.803 -0.020 0.000 0.863 416 Q CB 0.056 28.777 28.738 -0.028 0.000 0.944 416 Q HN 0.359 nan 8.270 nan 0.000 0.465 417 L N -0.412 120.816 121.223 0.008 0.000 2.141 417 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 417 L C 2.201 179.096 176.870 0.042 0.000 1.094 417 L CA 0.739 55.594 54.840 0.025 0.000 0.763 417 L CB -0.420 41.676 42.059 0.061 0.000 0.908 417 L HN 0.236 nan 8.230 nan 0.000 0.437 418 L N -0.969 120.299 121.223 0.076 0.000 2.027 418 L HA -0.169 4.171 4.340 -0.000 0.000 0.206 418 L C 2.750 179.563 176.870 -0.094 0.000 1.074 418 L CA 1.177 56.081 54.840 0.107 0.000 0.745 418 L CB -0.349 41.789 42.059 0.130 0.000 0.898 418 L HN 0.224 nan 8.230 nan 0.000 0.433 419 S N -0.436 115.217 115.700 -0.078 0.000 2.343 419 S HA -0.228 4.242 4.470 -0.000 0.000 0.219 419 S C 1.981 176.471 174.600 -0.183 0.000 1.033 419 S CA 1.328 59.462 58.200 -0.110 0.000 1.014 419 S CB -0.318 62.837 63.200 -0.075 0.000 0.915 419 S HN 0.245 nan 8.310 nan 0.000 0.435 420 R N 1.588 121.981 120.500 -0.178 0.000 2.096 420 R HA -0.065 4.275 4.340 -0.000 0.000 0.240 420 R C 2.322 178.427 176.300 -0.325 0.000 1.139 420 R CA 1.945 57.925 56.100 -0.201 0.000 0.952 420 R CB -1.374 28.835 30.300 -0.150 0.000 0.854 420 R HN 0.401 nan 8.270 nan 0.000 0.436 421 G N -0.161 108.325 108.800 -0.523 0.000 2.514 421 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 421 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 421 G C 1.454 175.677 174.900 -1.129 0.000 1.198 421 G CA 1.827 46.190 45.100 -1.228 0.000 0.780 421 G HN 0.396 nan 8.290 nan 0.000 0.565 422 V N -1.170 118.282 119.914 -0.770 0.000 2.594 422 V HA 0.005 4.125 4.120 -0.000 0.000 0.253 422 V C 2.580 178.554 176.094 -0.201 0.000 1.069 422 V CA 2.163 64.270 62.300 -0.321 0.000 1.082 422 V CB -0.565 31.189 31.823 -0.116 0.000 0.680 422 V HN 0.307 nan 8.190 nan 0.000 0.469 423 R N 0.003 120.373 120.500 -0.216 0.000 2.080 423 R HA 0.314 4.654 4.340 -0.000 0.000 0.222 423 R C 2.352 178.575 176.300 -0.129 0.000 1.107 423 R CA 1.231 57.241 56.100 -0.149 0.000 0.980 423 R CB -0.427 29.784 30.300 -0.149 0.000 0.879 423 R HN 0.436 nan 8.270 nan 0.000 0.439 424 L N 0.148 121.278 121.223 -0.156 0.000 2.083 424 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 424 L C 2.075 178.903 176.870 -0.070 0.000 1.083 424 L CA 1.366 56.144 54.840 -0.104 0.000 0.752 424 L CB -0.728 41.266 42.059 -0.107 0.000 0.899 424 L HN 0.258 nan 8.230 nan 0.000 0.433 425 T N -0.948 113.553 114.554 -0.088 0.000 2.759 425 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 425 T C 1.776 176.467 174.700 -0.016 0.000 1.042 425 T CA 1.163 63.249 62.100 -0.022 0.000 1.140 425 T CB -0.127 68.752 68.868 0.019 0.000 0.864 425 T HN 0.298 nan 8.240 nan 0.000 0.455 426 E N 1.094 121.275 120.200 -0.031 0.000 2.150 426 E HA 0.043 4.393 4.350 -0.000 0.000 0.193 426 E C 2.188 178.786 176.600 -0.003 0.000 0.985 426 E CA 0.583 56.974 56.400 -0.014 0.000 0.814 426 E CB -0.370 29.320 29.700 -0.016 0.000 0.752 426 E HN 0.474 nan 8.360 nan 0.000 0.466 427 L N 0.338 121.555 121.223 -0.010 0.000 2.465 427 L HA -0.050 4.290 4.340 -0.000 0.000 0.224 427 L C 2.108 178.984 176.870 0.011 0.000 1.145 427 L CA 0.346 55.191 54.840 0.009 0.000 0.834 427 L CB -0.122 41.939 42.059 0.004 0.000 0.944 427 L HN 0.066 nan 8.230 nan 0.000 0.451 428 L N -0.967 120.258 121.223 0.003 0.000 2.529 428 L HA 0.046 4.386 4.340 -0.000 0.000 0.223 428 L C 0.919 177.787 176.870 -0.004 0.000 1.113 428 L CA 0.075 54.917 54.840 0.004 0.000 0.861 428 L CB -0.002 42.062 42.059 0.009 0.000 1.012 428 L HN 0.091 nan 8.230 nan 0.000 0.461 429 K N 1.173 121.568 120.400 -0.008 0.000 2.355 429 K HA 0.173 4.493 4.320 -0.000 0.000 0.270 429 K C -0.170 176.417 176.600 -0.022 0.000 1.003 429 K CA 0.381 56.654 56.287 -0.024 0.000 0.957 429 K CB 0.691 33.177 32.500 -0.024 0.000 0.939 429 K HN -0.022 nan 8.250 nan 0.000 0.482 430 Q N 0.343 120.118 119.800 -0.041 0.000 2.353 430 Q HA 0.327 4.667 4.340 -0.000 0.000 0.275 430 Q C -0.994 174.968 176.000 -0.063 0.000 1.029 430 Q CA -0.666 55.113 55.803 -0.040 0.000 0.848 430 Q CB 1.853 30.570 28.738 -0.036 0.000 1.390 430 Q HN 0.788 nan 8.270 nan 0.000 0.401 431 G N 1.800 110.568 108.800 -0.053 0.000 2.503 431 G HA2 0.175 4.135 3.960 -0.000 0.000 0.257 431 G HA3 0.175 4.135 3.960 -0.000 0.000 0.257 431 G C -0.600 174.229 174.900 -0.118 0.000 1.214 431 G CA -0.163 44.897 45.100 -0.067 0.000 0.839 431 G HN 0.611 nan 8.290 nan 0.000 0.559 432 Q N -0.507 119.173 119.800 -0.200 0.000 2.382 432 Q HA 0.235 4.575 4.340 -0.000 0.000 0.229 432 Q C -0.168 175.619 176.000 -0.354 0.000 1.006 432 Q CA -0.362 55.164 55.803 -0.461 0.000 0.916 432 Q CB 0.327 28.557 28.738 -0.847 0.000 1.235 432 Q HN 0.662 nan 8.270 nan 0.000 0.512 433 Y N -0.952 119.340 120.300 -0.012 0.000 4.324 433 Y HA -0.294 4.256 4.550 -0.000 0.000 0.224 433 Y C -0.205 175.681 175.900 -0.023 0.000 1.113 433 Y CA 0.499 58.587 58.100 -0.020 0.000 1.887 433 Y CB -2.372 36.076 38.460 -0.021 0.000 1.602 433 Y HN 0.419 nan 8.280 nan 0.000 0.654 434 S N -1.270 114.453 115.700 0.039 0.000 2.317 434 S HA 0.442 4.912 4.470 -0.000 0.000 0.144 434 S C -2.377 172.215 174.600 -0.013 0.000 1.660 434 S CA -1.182 57.029 58.200 0.017 0.000 1.273 434 S CB 1.658 64.867 63.200 0.015 0.000 1.330 434 S HN 0.072 nan 8.310 nan 0.000 0.395 435 P HA 0.345 nan 4.420 nan 0.000 0.272 435 P C -0.629 176.649 177.300 -0.037 0.000 1.230 435 P CA -0.314 62.770 63.100 -0.026 0.000 0.788 435 P CB 0.570 32.256 31.700 -0.023 0.000 0.949 436 M N 0.854 120.434 119.600 -0.033 0.000 2.578 436 M HA 0.527 5.007 4.480 -0.000 0.000 0.321 436 M C 0.315 176.590 176.300 -0.041 0.000 1.182 436 M CA -0.875 54.402 55.300 -0.039 0.000 0.965 436 M CB 2.084 34.670 32.600 -0.023 0.000 1.694 436 M HN 0.332 nan 8.290 nan 0.000 0.461 437 A N 1.350 124.136 122.820 -0.057 0.000 2.425 437 A HA 0.211 4.531 4.320 -0.000 0.000 0.242 437 A C 0.913 178.495 177.584 -0.003 0.000 1.077 437 A CA -0.292 51.718 52.037 -0.044 0.000 0.781 437 A CB 0.061 19.021 19.000 -0.065 0.000 1.020 437 A HN 0.960 nan 8.150 nan 0.000 0.494 438 I N 0.835 121.425 120.570 0.033 0.000 2.163 438 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 438 I C 2.550 178.678 176.117 0.018 0.000 1.085 438 I CA 2.397 63.719 61.300 0.035 0.000 1.347 438 I CB -0.332 37.699 38.000 0.051 0.000 1.044 438 I HN 0.852 nan 8.210 nan 0.000 0.408 439 E N 0.637 120.841 120.200 0.007 0.000 2.118 439 E HA -0.301 4.049 4.350 -0.000 0.000 0.195 439 E C 1.788 178.377 176.600 -0.017 0.000 0.992 439 E CA 1.903 58.297 56.400 -0.009 0.000 0.804 439 E CB -0.934 28.751 29.700 -0.024 0.000 0.741 439 E HN 0.672 nan 8.360 nan 0.000 0.458 440 E N 1.030 121.214 120.200 -0.026 0.000 2.077 440 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 440 E C 2.367 178.973 176.600 0.010 0.000 0.989 440 E CA 1.343 57.723 56.400 -0.032 0.000 0.800 440 E CB -0.164 29.506 29.700 -0.051 0.000 0.746 440 E HN 0.444 nan 8.360 nan 0.000 0.452 441 Q N 0.523 120.333 119.800 0.017 0.000 2.030 441 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 441 Q C 2.676 178.712 176.000 0.059 0.000 0.986 441 Q CA 1.906 57.731 55.803 0.036 0.000 0.843 441 Q CB -0.527 28.228 28.738 0.028 0.000 0.904 441 Q HN 0.331 nan 8.270 nan 0.000 0.420 442 V N -0.438 119.508 119.914 0.053 0.000 2.392 442 V HA -0.220 3.900 4.120 -0.000 0.000 0.249 442 V C 2.138 178.304 176.094 0.120 0.000 1.059 442 V CA 2.015 64.362 62.300 0.078 0.000 1.051 442 V CB -0.967 30.892 31.823 0.059 0.000 0.658 442 V HN 0.326 nan 8.190 nan 0.000 0.455 443 A N 0.138 123.012 122.820 0.090 0.000 1.877 443 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 443 A C 2.392 180.134 177.584 0.264 0.000 1.186 443 A CA 2.346 54.459 52.037 0.127 0.000 0.620 443 A CB -0.981 18.059 19.000 0.068 0.000 0.822 443 A HN 0.569 nan 8.150 nan 0.000 0.443 444 V N 0.134 120.188 119.914 0.234 0.000 2.515 444 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 444 V C 2.356 178.529 176.094 0.132 0.000 1.058 444 V CA 1.874 64.300 62.300 0.210 0.000 1.064 444 V CB -0.670 31.254 31.823 0.168 0.000 0.675 444 V HN 0.563 nan 8.190 nan 0.000 0.461 445 I N -1.153 119.492 120.570 0.124 0.000 2.353 445 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 445 I C 2.390 178.572 176.117 0.109 0.000 1.119 445 I CA 1.637 62.990 61.300 0.088 0.000 1.417 445 I CB -0.490 37.552 38.000 0.070 0.000 1.078 445 I HN 0.306 nan 8.210 nan 0.000 0.421 446 Y N 2.084 122.403 120.300 0.032 0.000 2.139 446 Y HA -0.400 4.150 4.550 -0.000 0.000 0.282 446 Y C 2.597 178.527 175.900 0.050 0.000 1.179 446 Y CA 1.736 59.862 58.100 0.043 0.000 1.161 446 Y CB -0.267 38.224 38.460 0.051 0.000 0.970 446 Y HN 0.154 nan 8.280 nan 0.000 0.511 447 A N 0.114 123.067 122.820 0.222 0.000 1.903 447 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 447 A C 2.441 180.038 177.584 0.021 0.000 1.191 447 A CA 2.212 54.291 52.037 0.070 0.000 0.638 447 A CB -1.758 17.174 19.000 -0.114 0.000 0.823 447 A HN 0.632 nan 8.150 nan 0.000 0.451 448 G N -0.674 108.111 108.800 -0.025 0.000 2.425 448 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.213 448 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.213 448 G C 1.572 176.409 174.900 -0.105 0.000 1.201 448 G CA 1.695 46.749 45.100 -0.075 0.000 0.799 448 G HN 1.047 nan 8.290 nan 0.000 0.534 449 V N -1.579 118.274 119.914 -0.103 0.000 2.913 449 V HA 0.122 4.242 4.120 -0.000 0.000 0.260 449 V C 2.243 178.218 176.094 -0.199 0.000 1.098 449 V CA 1.223 63.445 62.300 -0.131 0.000 1.121 449 V CB -0.429 31.335 31.823 -0.098 0.000 0.714 449 V HN 0.103 nan 8.190 nan 0.000 0.487 450 R N 0.897 121.239 120.500 -0.264 0.000 2.317 450 R HA 0.313 4.653 4.340 -0.000 0.000 0.208 450 R C 1.843 177.885 176.300 -0.430 0.000 0.914 450 R CA 0.604 56.492 56.100 -0.355 0.000 1.060 450 R CB -0.121 29.902 30.300 -0.461 0.000 1.015 450 R HN 0.834 nan 8.270 nan 0.000 0.498 451 G N 0.410 109.030 108.800 -0.301 0.000 2.157 451 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.248 451 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.248 451 G C 0.614 175.314 174.900 -0.333 0.000 0.979 451 G CA 0.339 45.256 45.100 -0.305 0.000 0.650 451 G HN 0.390 nan 8.290 nan 0.000 0.529 452 Y N 0.107 120.313 120.300 -0.157 0.000 2.352 452 Y HA 0.171 4.721 4.550 -0.000 0.000 0.292 452 Y C 2.708 178.480 175.900 -0.213 0.000 1.136 452 Y CA 1.557 59.567 58.100 -0.149 0.000 1.227 452 Y CB -0.053 38.334 38.460 -0.122 0.000 0.991 452 Y HN 0.381 nan 8.280 nan 0.000 0.545 453 L N -0.579 120.563 121.223 -0.136 0.000 2.592 453 L HA -0.001 4.339 4.340 -0.000 0.000 0.227 453 L C 1.078 177.844 176.870 -0.173 0.000 1.127 453 L CA 0.019 54.714 54.840 -0.243 0.000 0.884 453 L CB -0.203 41.662 42.059 -0.325 0.000 1.065 453 L HN 0.103 nan 8.230 nan 0.000 0.457 454 D N 1.477 121.791 120.400 -0.143 0.000 2.190 454 D HA -0.184 4.456 4.640 -0.000 0.000 0.200 454 D C 1.479 177.724 176.300 -0.091 0.000 0.992 454 D CA 1.431 55.358 54.000 -0.121 0.000 0.854 454 D CB 0.049 40.776 40.800 -0.123 0.000 0.936 454 D HN 0.318 nan 8.370 nan 0.000 0.462 455 K N -0.470 119.882 120.400 -0.080 0.000 2.437 455 K HA 0.187 4.507 4.320 -0.000 0.000 0.205 455 K C -0.019 176.559 176.600 -0.037 0.000 1.026 455 K CA -0.373 55.885 56.287 -0.050 0.000 1.153 455 K CB 0.842 33.321 32.500 -0.035 0.000 0.863 455 K HN -0.001 nan 8.250 nan 0.000 0.502 456 L N 1.258 122.444 121.223 -0.060 0.000 2.325 456 L HA 0.253 4.593 4.340 -0.000 0.000 0.278 456 L C -0.384 176.471 176.870 -0.024 0.000 1.023 456 L CA -0.412 54.406 54.840 -0.036 0.000 0.811 456 L CB 1.332 43.321 42.059 -0.116 0.000 1.249 456 L HN -0.012 nan 8.230 nan 0.000 0.431 457 E N 5.514 125.726 120.200 0.021 0.000 2.415 457 E HA 0.010 4.360 4.350 -0.000 0.000 0.263 457 E C -1.722 174.888 176.600 0.017 0.000 0.995 457 E CA -1.057 55.356 56.400 0.020 0.000 0.915 457 E CB 0.799 30.523 29.700 0.040 0.000 0.951 457 E HN 0.526 nan 8.360 nan 0.000 0.449 458 P HA -0.253 nan 4.420 nan 0.000 0.215 458 P C 1.417 178.732 177.300 0.024 0.000 1.157 458 P CA 1.616 64.714 63.100 -0.003 0.000 0.874 458 P CB 0.105 31.800 31.700 -0.007 0.000 0.790 459 S N -0.598 115.124 115.700 0.036 0.000 2.419 459 S HA -0.179 4.291 4.470 -0.000 0.000 0.235 459 S C 1.751 176.404 174.600 0.089 0.000 1.019 459 S CA 1.325 59.556 58.200 0.051 0.000 0.982 459 S CB -0.976 62.250 63.200 0.044 0.000 0.789 459 S HN 0.173 nan 8.310 nan 0.000 0.490 460 K N 0.422 120.893 120.400 0.118 0.000 2.418 460 K HA 0.284 4.604 4.320 -0.000 0.000 0.195 460 K C 1.725 178.459 176.600 0.222 0.000 1.035 460 K CA 0.376 56.800 56.287 0.228 0.000 1.003 460 K CB -0.108 32.587 32.500 0.325 0.000 0.793 460 K HN 0.362 nan 8.250 nan 0.000 0.494 461 I N 1.526 122.162 120.570 0.110 0.000 2.208 461 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 461 I C 2.408 178.615 176.117 0.150 0.000 1.097 461 I CA 1.861 63.208 61.300 0.079 0.000 1.363 461 I CB -1.607 36.397 38.000 0.007 0.000 1.051 461 I HN 0.318 nan 8.210 nan 0.000 0.413 462 T N -0.899 113.725 114.554 0.116 0.000 2.777 462 T HA -0.220 4.130 4.350 -0.000 0.000 0.266 462 T C 1.946 176.718 174.700 0.119 0.000 1.040 462 T CA 1.235 63.395 62.100 0.099 0.000 1.141 462 T CB -0.352 68.555 68.868 0.063 0.000 0.868 462 T HN 0.270 nan 8.240 nan 0.000 0.444 463 K N 0.047 120.546 120.400 0.166 0.000 2.057 463 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 463 K C 2.069 178.778 176.600 0.183 0.000 1.049 463 K CA 1.354 57.766 56.287 0.209 0.000 0.931 463 K CB -0.400 32.288 32.500 0.314 0.000 0.714 463 K HN 0.409 nan 8.250 nan 0.000 0.440 464 F N 2.080 121.990 119.950 -0.067 0.000 2.075 464 F HA -0.204 4.323 4.527 -0.000 0.000 0.297 464 F C 2.263 178.006 175.800 -0.094 0.000 1.113 464 F CA 2.086 59.862 58.000 -0.373 0.000 1.218 464 F CB -0.383 38.286 39.000 -0.552 0.000 0.984 464 F HN 0.167 nan 8.300 nan 0.000 0.472 465 E N 0.253 120.452 120.200 -0.001 0.000 2.058 465 E HA -0.352 3.998 4.350 -0.000 0.000 0.194 465 E C 2.085 178.630 176.600 -0.091 0.000 0.997 465 E CA 1.626 58.004 56.400 -0.037 0.000 0.801 465 E CB -0.499 29.262 29.700 0.102 0.000 0.746 465 E HN 0.536 nan 8.360 nan 0.000 0.450 466 N N 0.283 118.964 118.700 -0.031 0.000 2.061 466 N HA -0.211 4.529 4.740 -0.000 0.000 0.193 466 N C 1.632 177.118 175.510 -0.040 0.000 1.030 466 N CA 2.329 55.368 53.050 -0.018 0.000 0.856 466 N CB -0.374 38.131 38.487 0.029 0.000 1.023 466 N HN 0.236 nan 8.380 nan 0.000 0.424 467 A N -0.702 122.109 122.820 -0.014 0.000 1.897 467 A HA -0.006 4.314 4.320 -0.000 0.000 0.215 467 A C 2.174 179.703 177.584 -0.092 0.000 1.181 467 A CA 1.098 53.184 52.037 0.082 0.000 0.620 467 A CB -1.136 18.040 19.000 0.293 0.000 0.821 467 A HN 0.485 nan 8.150 nan 0.000 0.443 468 F N 0.339 119.877 119.950 -0.687 0.000 2.102 468 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 468 F C 1.809 177.243 175.800 -0.609 0.000 1.105 468 F CA 1.819 59.072 58.000 -1.244 0.000 1.239 468 F CB -0.395 37.655 39.000 -1.583 0.000 0.991 468 F HN 0.189 nan 8.300 nan 0.000 0.474 469 L N -0.029 120.886 121.223 -0.513 0.000 2.056 469 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 469 L C 2.492 179.163 176.870 -0.332 0.000 1.078 469 L CA 2.000 56.579 54.840 -0.435 0.000 0.749 469 L CB -1.176 40.778 42.059 -0.175 0.000 0.901 469 L HN 0.146 nan 8.230 nan 0.000 0.433 470 S N -1.317 114.260 115.700 -0.204 0.000 2.365 470 S HA -0.298 4.172 4.470 -0.000 0.000 0.225 470 S C 1.923 176.467 174.600 -0.093 0.000 1.039 470 S CA 1.525 59.661 58.200 -0.107 0.000 1.033 470 S CB -0.592 62.591 63.200 -0.027 0.000 0.887 470 S HN 0.698 nan 8.310 nan 0.000 0.447 471 H N 1.810 120.742 119.070 -0.229 0.000 2.267 471 H HA -0.100 4.456 4.556 -0.000 0.000 0.297 471 H C 2.155 177.346 175.328 -0.229 0.000 1.080 471 H CA 2.234 58.174 56.048 -0.179 0.000 1.278 471 H CB -0.787 28.879 29.762 -0.160 0.000 1.365 471 H HN 0.237 nan 8.280 nan 0.000 0.489 472 V N -0.917 118.708 119.914 -0.481 0.000 2.490 472 V HA -0.162 3.958 4.120 -0.000 0.000 0.250 472 V C 2.456 178.376 176.094 -0.291 0.000 1.061 472 V CA 2.047 64.084 62.300 -0.439 0.000 1.064 472 V CB -0.878 30.591 31.823 -0.589 0.000 0.670 472 V HN 0.430 nan 8.190 nan 0.000 0.461 473 I N 0.627 121.043 120.570 -0.258 0.000 2.439 473 I HA -0.123 4.047 4.170 -0.000 0.000 0.251 473 I C 2.818 178.841 176.117 -0.157 0.000 1.139 473 I CA 1.645 62.838 61.300 -0.179 0.000 1.438 473 I CB -0.364 37.548 38.000 -0.147 0.000 1.085 473 I HN 0.387 nan 8.210 nan 0.000 0.427 474 S N -0.043 115.561 115.700 -0.160 0.000 2.348 474 S HA -0.128 4.342 4.470 -0.000 0.000 0.219 474 S C 2.010 176.492 174.600 -0.197 0.000 1.033 474 S CA 1.281 59.400 58.200 -0.135 0.000 0.974 474 S CB 0.048 63.204 63.200 -0.075 0.000 0.868 474 S HN 0.391 nan 8.310 nan 0.000 0.459 475 Q N -1.081 118.524 119.800 -0.325 0.000 2.259 475 Q HA 0.101 4.441 4.340 -0.000 0.000 0.201 475 Q C 0.088 175.703 176.000 -0.641 0.000 0.938 475 Q CA 0.621 56.115 55.803 -0.516 0.000 0.872 475 Q CB 0.289 28.584 28.738 -0.738 0.000 0.971 475 Q HN 0.646 nan 8.270 nan 0.000 0.494 476 H N -0.336 118.565 119.070 -0.283 0.000 2.476 476 H HA 0.106 4.662 4.556 -0.000 0.000 0.256 476 H C 0.641 175.857 175.328 -0.186 0.000 1.321 476 H CA -0.252 55.661 56.048 -0.224 0.000 1.056 476 H CB 0.702 30.309 29.762 -0.258 0.000 1.643 476 H HN 0.062 nan 8.280 nan 0.000 0.541 477 Q N 1.442 121.179 119.800 -0.105 0.000 2.135 477 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 477 Q C 2.179 178.142 176.000 -0.062 0.000 0.981 477 Q CA 1.758 57.508 55.803 -0.089 0.000 0.856 477 Q CB -0.105 28.578 28.738 -0.093 0.000 0.902 477 Q HN 0.627 nan 8.270 nan 0.000 0.425 478 A N 0.485 123.275 122.820 -0.049 0.000 1.902 478 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 478 A C 2.010 179.575 177.584 -0.031 0.000 1.181 478 A CA 1.463 53.480 52.037 -0.034 0.000 0.623 478 A CB -0.858 18.127 19.000 -0.025 0.000 0.818 478 A HN 0.511 nan 8.150 nan 0.000 0.443 479 L N -0.421 120.788 121.223 -0.023 0.000 2.056 479 L HA -0.081 4.259 4.340 -0.000 0.000 0.207 479 L C 2.304 179.132 176.870 -0.070 0.000 1.078 479 L CA 1.653 56.463 54.840 -0.051 0.000 0.749 479 L CB -0.682 41.333 42.059 -0.073 0.000 0.901 479 L HN 0.441 nan 8.230 nan 0.000 0.433 480 L N 0.280 121.459 121.223 -0.072 0.000 2.083 480 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 480 L C 3.005 179.841 176.870 -0.055 0.000 1.083 480 L CA 1.366 56.161 54.840 -0.076 0.000 0.752 480 L CB -0.815 41.191 42.059 -0.088 0.000 0.899 480 L HN 0.423 nan 8.230 nan 0.000 0.433 481 S N -0.238 115.433 115.700 -0.048 0.000 2.399 481 S HA -0.205 4.265 4.470 -0.000 0.000 0.231 481 S C 2.164 176.746 174.600 -0.031 0.000 1.022 481 S CA 1.406 59.584 58.200 -0.036 0.000 0.983 481 S CB -0.188 nan 63.200 nan 0.000 0.803 481 S HN 0.291 nan 8.310 nan 0.000 0.480 482 K N -0.111 120.267 120.400 -0.036 0.000 2.323 482 K HA 0.296 4.616 4.320 -0.000 0.000 0.197 482 K C 1.580 178.160 176.600 -0.033 0.000 1.043 482 K CA 0.213 56.481 56.287 -0.032 0.000 0.997 482 K CB -0.021 32.459 32.500 -0.032 0.000 0.807 482 K HN 0.483 nan 8.250 nan 0.000 0.497 483 I N 0.596 121.141 120.570 -0.041 0.000 2.439 483 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 483 I C 2.586 178.691 176.117 -0.020 0.000 1.139 483 I CA 0.912 62.191 61.300 -0.037 0.000 1.438 483 I CB -0.092 37.878 38.000 -0.051 0.000 1.085 483 I HN 0.132 nan 8.210 nan 0.000 0.427 484 R N 0.652 121.141 120.500 -0.019 0.000 2.060 484 R HA -0.126 4.214 4.340 -0.000 0.000 0.225 484 R C 2.317 178.612 176.300 -0.009 0.000 1.155 484 R CA 2.174 58.268 56.100 -0.009 0.000 0.930 484 R CB -0.523 29.774 30.300 -0.005 0.000 0.829 484 R HN 0.115 nan 8.270 nan 0.000 0.433 485 T N 1.413 115.960 114.554 -0.011 0.000 2.567 485 T HA -0.230 4.120 4.350 -0.000 0.000 0.261 485 T C 1.295 175.989 174.700 -0.009 0.000 1.123 485 T CA 2.213 64.306 62.100 -0.010 0.000 1.166 485 T CB -0.743 68.118 68.868 -0.012 0.000 0.860 485 T HN 0.397 nan 8.240 nan 0.000 0.436 486 D N 0.235 120.628 120.400 -0.010 0.000 2.265 486 D HA 0.075 4.715 4.640 -0.000 0.000 0.208 486 D C 1.829 178.126 176.300 -0.004 0.000 0.977 486 D CA 1.429 55.425 54.000 -0.007 0.000 0.871 486 D CB -0.656 40.139 40.800 -0.008 0.000 0.925 486 D HN 0.616 nan 8.370 nan 0.000 0.485 487 G N 0.274 109.072 108.800 -0.005 0.000 3.329 487 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.220 487 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.220 487 G C 0.633 175.534 174.900 0.002 0.000 1.358 487 G CA 0.756 45.854 45.100 -0.003 0.000 0.856 487 G HN 0.606 nan 8.290 nan 0.000 0.551 488 K N 0.194 120.597 120.400 0.006 0.000 2.531 488 K HA 0.818 5.138 4.320 -0.000 0.000 0.265 488 K C -0.149 176.459 176.600 0.013 0.000 1.045 488 K CA -1.000 55.295 56.287 0.014 0.000 1.040 488 K CB 1.069 33.580 32.500 0.019 0.000 1.436 488 K HN 0.302 nan 8.250 nan 0.000 0.571 489 I N 2.699 123.286 120.570 0.028 0.000 2.306 489 I HA 0.114 4.284 4.170 -0.000 0.000 0.288 489 I C 0.104 176.237 176.117 0.026 0.000 1.036 489 I CA -0.730 60.584 61.300 0.023 0.000 1.221 489 I CB 1.435 39.471 38.000 0.060 0.000 1.385 489 I HN 0.729 nan 8.210 nan 0.000 0.472 490 S N 3.798 119.503 115.700 0.007 0.000 2.589 490 S HA 0.139 4.609 4.470 -0.000 0.000 0.265 490 S C 0.965 175.577 174.600 0.019 0.000 1.342 490 S CA -0.424 57.782 58.200 0.011 0.000 1.005 490 S CB 1.134 64.335 63.200 0.000 0.000 0.909 490 S HN 0.669 nan 8.310 nan 0.000 0.555 491 E N 0.385 120.599 120.200 0.023 0.000 2.160 491 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 491 E C 1.928 178.540 176.600 0.020 0.000 0.991 491 E CA 1.364 57.782 56.400 0.029 0.000 0.810 491 E CB -0.096 29.620 29.700 0.026 0.000 0.742 491 E HN 0.821 nan 8.360 nan 0.000 0.466 492 E N 0.115 120.319 120.200 0.006 0.000 2.047 492 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 492 E C 2.059 178.644 176.600 -0.025 0.000 0.987 492 E CA 1.194 57.590 56.400 -0.006 0.000 0.799 492 E CB 0.154 29.848 29.700 -0.010 0.000 0.752 492 E HN 0.070 nan 8.360 nan 0.000 0.449 493 S N 0.912 116.590 115.700 -0.037 0.000 2.402 493 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 493 S C 1.495 176.032 174.600 -0.105 0.000 1.021 493 S CA 0.975 59.125 58.200 -0.083 0.000 0.974 493 S CB -0.184 62.965 63.200 -0.086 0.000 0.800 493 S HN 0.266 nan 8.310 nan 0.000 0.484 494 D N 1.350 121.737 120.400 -0.020 0.000 2.219 494 D HA 0.057 4.697 4.640 -0.000 0.000 0.205 494 D C 1.972 178.316 176.300 0.072 0.000 0.970 494 D CA 0.948 54.991 54.000 0.072 0.000 0.851 494 D CB -0.163 40.717 40.800 0.133 0.000 0.943 494 D HN 0.372 nan 8.370 nan 0.000 0.488 495 A N 0.672 123.507 122.820 0.026 0.000 1.854 495 A HA -0.117 4.203 4.320 -0.000 0.000 0.214 495 A C 2.161 179.735 177.584 -0.016 0.000 1.192 495 A CA 1.153 53.204 52.037 0.023 0.000 0.611 495 A CB -0.295 18.715 19.000 0.016 0.000 0.832 495 A HN 0.077 nan 8.150 nan 0.000 0.442 496 K N -0.370 119.992 120.400 -0.063 0.000 2.032 496 K HA -0.085 4.235 4.320 -0.000 0.000 0.209 496 K C 1.908 178.412 176.600 -0.161 0.000 1.048 496 K CA 1.539 57.757 56.287 -0.116 0.000 0.927 496 K CB -0.406 32.006 32.500 -0.147 0.000 0.712 496 K HN 0.452 nan 8.250 nan 0.000 0.441 497 L N 0.864 121.967 121.223 -0.200 0.000 2.046 497 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 497 L C 2.547 179.332 176.870 -0.141 0.000 1.077 497 L CA 1.298 55.987 54.840 -0.252 0.000 0.747 497 L CB -0.383 41.308 42.059 -0.613 0.000 0.896 497 L HN 0.183 nan 8.230 nan 0.000 0.432 498 K N -0.139 120.247 120.400 -0.024 0.000 2.074 498 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 498 K C 2.036 178.619 176.600 -0.029 0.000 1.048 498 K CA 1.498 57.802 56.287 0.028 0.000 0.926 498 K CB 0.148 32.750 32.500 0.171 0.000 0.713 498 K HN 0.237 nan 8.250 nan 0.000 0.444 499 E N 0.520 120.712 120.200 -0.013 0.000 2.060 499 E HA -0.093 4.257 4.350 -0.000 0.000 0.189 499 E C 2.167 178.782 176.600 0.025 0.000 0.974 499 E CA 0.862 57.271 56.400 0.015 0.000 0.808 499 E CB -0.241 29.472 29.700 0.021 0.000 0.768 499 E HN 0.375 nan 8.360 nan 0.000 0.453 500 I N 1.100 121.660 120.570 -0.017 0.000 2.145 500 I HA -0.295 3.875 4.170 -0.000 0.000 0.244 500 I C 2.424 178.652 176.117 0.184 0.000 1.075 500 I CA 1.123 62.457 61.300 0.057 0.000 1.332 500 I CB -0.390 37.544 38.000 -0.110 0.000 1.033 500 I HN -0.061 nan 8.210 nan 0.000 0.410 501 V N 0.754 120.699 119.914 0.053 0.000 2.270 501 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 501 V C 2.670 178.813 176.094 0.081 0.000 1.043 501 V CA 2.474 64.782 62.300 0.013 0.000 1.014 501 V CB -1.383 30.202 31.823 -0.395 0.000 0.645 501 V HN 0.622 nan 8.190 nan 0.000 0.447 502 T N -0.684 113.866 114.554 -0.008 0.000 2.665 502 T HA -0.269 4.081 4.350 -0.000 0.000 0.268 502 T C 1.724 176.514 174.700 0.149 0.000 1.035 502 T CA 1.990 64.155 62.100 0.107 0.000 1.151 502 T CB -0.538 68.405 68.868 0.124 0.000 0.862 502 T HN 0.445 nan 8.240 nan 0.000 0.438 503 N N 0.537 119.330 118.700 0.154 0.000 2.148 503 N HA 0.055 4.795 4.740 -0.000 0.000 0.186 503 N C 1.574 177.190 175.510 0.178 0.000 1.031 503 N CA 0.941 54.079 53.050 0.146 0.000 0.848 503 N CB -0.634 37.932 38.487 0.132 0.000 1.005 503 N HN 0.399 nan 8.380 nan 0.000 0.427 504 F N 2.162 122.186 119.950 0.124 0.000 2.063 504 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 504 F C 2.317 178.244 175.800 0.212 0.000 1.105 504 F CA 1.286 59.371 58.000 0.142 0.000 1.215 504 F CB -0.477 38.653 39.000 0.216 0.000 0.972 504 F HN -0.021 nan 8.300 nan 0.000 0.483 505 L N 0.662 122.165 121.223 0.467 0.000 2.042 505 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 505 L C 2.444 179.461 176.870 0.245 0.000 1.076 505 L CA 2.157 57.236 54.840 0.397 0.000 0.749 505 L CB -1.375 40.841 42.059 0.263 0.000 0.893 505 L HN 0.186 nan 8.230 nan 0.000 0.432 506 A N -0.520 122.394 122.820 0.157 0.000 1.940 506 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 506 A C 2.346 179.961 177.584 0.052 0.000 1.176 506 A CA 1.638 53.732 52.037 0.095 0.000 0.631 506 A CB -1.622 17.422 19.000 0.074 0.000 0.814 506 A HN 0.555 nan 8.150 nan 0.000 0.446 507 G N -1.464 107.338 108.800 0.003 0.000 2.422 507 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 507 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 507 G C 1.442 176.307 174.900 -0.058 0.000 1.146 507 G CA 1.111 46.163 45.100 -0.079 0.000 0.769 507 G HN 0.481 nan 8.290 nan 0.000 0.547 508 F N 1.253 121.095 119.950 -0.180 0.000 2.102 508 F HA 0.041 4.568 4.527 -0.000 0.000 0.298 508 F C 2.549 178.337 175.800 -0.020 0.000 1.105 508 F CA 1.888 59.834 58.000 -0.091 0.000 1.239 508 F CB -0.010 39.031 39.000 0.067 0.000 0.991 508 F HN 0.215 nan 8.300 nan 0.000 0.474 509 E N 0.342 120.575 120.200 0.054 0.000 2.435 509 E HA 0.120 4.470 4.350 -0.000 0.000 0.195 509 E C 1.042 177.600 176.600 -0.069 0.000 1.029 509 E CA 0.135 56.510 56.400 -0.042 0.000 0.865 509 E CB -0.069 29.671 29.700 0.067 0.000 0.833 509 E HN 0.399 nan 8.360 nan 0.000 0.510 510 A N 0.000 122.786 122.820 -0.056 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 52.004 52.037 -0.054 0.000 0.836 510 A CB 0.000 18.975 19.000 -0.042 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486