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 2w6j_1_A 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 0.000 176.294 176.300 -0.010 0.000 2.045 24 D CA 0.000 53.998 54.000 -0.004 0.000 0.868 24 D CB 0.000 40.794 40.800 -0.010 0.000 0.688 25 L N 2.735 123.945 121.223 -0.022 0.000 2.858 25 L HA 0.260 4.600 4.340 -0.001 0.000 0.251 25 L C 1.841 178.668 176.870 -0.071 0.000 1.149 25 L CA -0.063 54.745 54.840 -0.053 0.000 0.955 25 L CB 0.495 42.514 42.059 -0.067 0.000 1.289 25 L HN 0.345 nan 8.230 nan 0.000 0.542 26 E N 0.329 120.500 120.200 -0.049 0.000 2.075 26 E HA -0.060 4.289 4.350 -0.001 0.000 0.190 26 E C 1.104 177.674 176.600 -0.050 0.000 0.969 26 E CA 0.730 57.101 56.400 -0.048 0.000 0.815 26 E CB 0.430 30.109 29.700 -0.035 0.000 0.776 26 E HN 0.299 nan 8.360 nan 0.000 0.457 27 E N 0.176 120.350 120.200 -0.044 0.000 2.526 27 E HA 0.057 4.407 4.350 -0.001 0.000 0.208 27 E C 0.425 176.993 176.600 -0.053 0.000 0.997 27 E CA 0.355 56.728 56.400 -0.046 0.000 0.961 27 E CB 1.175 30.853 29.700 -0.037 0.000 1.030 27 E HN 0.204 nan 8.360 nan 0.000 0.483 28 T N -2.330 112.194 114.554 -0.050 0.000 2.887 28 T HA 0.802 5.152 4.350 -0.001 0.000 0.292 28 T C 0.270 174.940 174.700 -0.051 0.000 1.087 28 T CA -0.638 61.432 62.100 -0.050 0.000 1.009 28 T CB 2.550 71.400 68.868 -0.030 0.000 1.203 28 T HN 0.003 nan 8.240 nan 0.000 0.518 29 G N -0.147 108.628 108.800 -0.041 0.000 2.687 29 G HA2 0.696 4.656 3.960 -0.001 0.000 0.291 29 G HA3 0.696 4.656 3.960 -0.001 0.000 0.291 29 G C -1.766 173.151 174.900 0.028 0.000 1.420 29 G CA -1.129 43.961 45.100 -0.018 0.000 0.796 29 G HN 0.783 nan 8.290 nan 0.000 0.485 30 R N -0.486 120.062 120.500 0.081 0.000 2.628 30 R HA 0.507 4.847 4.340 -0.001 0.000 0.288 30 R C -0.794 175.573 176.300 0.112 0.000 0.980 30 R CA -0.730 55.427 56.100 0.095 0.000 0.891 30 R CB 2.651 33.010 30.300 0.099 0.000 1.188 30 R HN 0.339 nan 8.270 nan 0.000 0.450 31 V N 5.413 125.398 119.914 0.118 0.000 2.493 31 V HA -0.044 4.075 4.120 -0.001 0.000 0.292 31 V C 1.466 177.615 176.094 0.090 0.000 1.016 31 V CA 0.613 62.991 62.300 0.130 0.000 1.097 31 V CB 0.582 32.502 31.823 0.161 0.000 0.947 31 V HN 0.748 nan 8.190 nan 0.000 0.479 32 L N 3.927 125.201 121.223 0.085 0.000 2.168 32 L HA 0.133 4.472 4.340 -0.001 0.000 0.203 32 L C 0.960 177.854 176.870 0.041 0.000 1.078 32 L CA 0.907 55.779 54.840 0.054 0.000 0.780 32 L CB 0.088 42.181 42.059 0.057 0.000 0.939 32 L HN 0.832 nan 8.230 nan 0.000 0.451 33 S N -1.018 114.712 115.700 0.049 0.000 2.550 33 S HA 0.649 5.118 4.470 -0.001 0.000 0.270 33 S C -1.048 173.575 174.600 0.038 0.000 1.145 33 S CA -0.764 57.456 58.200 0.033 0.000 0.852 33 S CB 2.704 65.919 63.200 0.024 0.000 1.119 33 S HN 0.032 nan 8.310 nan 0.000 0.465 34 I N 0.494 121.075 120.570 0.017 0.000 2.607 34 I HA 0.864 5.033 4.170 -0.001 0.000 0.290 34 I C -0.452 175.658 176.117 -0.012 0.000 1.129 34 I CA 0.334 61.635 61.300 0.001 0.000 1.042 34 I CB 1.601 39.586 38.000 -0.024 0.000 1.242 34 I HN 1.316 nan 8.210 nan 0.000 0.421 35 G N 4.425 113.216 108.800 -0.015 0.000 2.596 35 G HA2 0.388 4.348 3.960 -0.001 0.000 0.296 35 G HA3 0.388 4.348 3.960 -0.001 0.000 0.296 35 G C -1.317 173.571 174.900 -0.020 0.000 1.513 35 G CA -0.482 44.607 45.100 -0.019 0.000 0.851 35 G HN 0.702 nan 8.290 nan 0.000 0.548 36 D N -0.192 120.193 120.400 -0.025 0.000 2.708 36 D HA -0.189 4.450 4.640 -0.001 0.000 0.236 36 D C 1.613 177.897 176.300 -0.027 0.000 1.146 36 D CA 2.629 56.613 54.000 -0.026 0.000 0.662 36 D CB -1.167 39.617 40.800 -0.026 0.000 1.059 36 D HN 2.257 nan 8.370 nan 0.000 0.428 37 G N -0.954 107.830 108.800 -0.028 0.000 2.168 37 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.263 37 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.263 37 G C 0.203 175.106 174.900 0.006 0.000 0.977 37 G CA 0.394 45.482 45.100 -0.019 0.000 0.659 37 G HN 0.498 nan 8.290 nan 0.000 0.533 38 I N 0.872 121.445 120.570 0.006 0.000 2.389 38 I HA 0.682 4.852 4.170 -0.001 0.000 0.288 38 I C 0.412 176.559 176.117 0.050 0.000 0.999 38 I CA -1.111 60.209 61.300 0.033 0.000 1.129 38 I CB 1.241 39.248 38.000 0.011 0.000 1.288 38 I HN 0.315 nan 8.210 nan 0.000 0.444 39 A N 7.732 130.620 122.820 0.113 0.000 2.271 39 A HA 0.694 5.013 4.320 -0.001 0.000 0.317 39 A C -0.073 177.592 177.584 0.136 0.000 1.245 39 A CA -0.757 51.370 52.037 0.150 0.000 0.857 39 A CB 0.858 20.045 19.000 0.312 0.000 1.175 39 A HN 0.572 nan 8.150 nan 0.000 0.512 40 R N 1.834 122.393 120.500 0.098 0.000 2.221 40 R HA 0.478 4.817 4.340 -0.001 0.000 0.327 40 R C -1.053 175.305 176.300 0.096 0.000 1.033 40 R CA -0.269 55.879 56.100 0.081 0.000 0.887 40 R CB 1.222 31.557 30.300 0.058 0.000 1.057 40 R HN 0.439 nan 8.270 nan 0.000 0.455 41 V N 3.204 123.169 119.914 0.085 0.000 2.540 41 V HA 0.165 4.284 4.120 -0.001 0.000 0.302 41 V C -0.161 175.985 176.094 0.086 0.000 1.035 41 V CA -1.005 61.345 62.300 0.085 0.000 0.873 41 V CB 1.628 33.475 31.823 0.041 0.000 0.992 41 V HN 0.721 nan 8.190 nan 0.000 0.428 42 H N 3.025 122.104 119.070 0.015 0.000 2.582 42 H HA 0.653 5.209 4.556 -0.001 0.000 0.345 42 H C 0.579 175.906 175.328 -0.001 0.000 1.104 42 H CA 1.489 57.541 56.048 0.007 0.000 1.390 42 H CB 1.116 30.884 29.762 0.009 0.000 1.461 42 H HN 1.122 nan 8.280 nan 0.000 0.551 43 G N 2.879 111.318 108.800 -0.601 0.000 2.488 43 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.237 43 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.237 43 G C -0.030 174.756 174.900 -0.190 0.000 1.209 43 G CA -0.363 44.500 45.100 -0.394 0.000 0.929 43 G HN 1.264 nan 8.290 nan 0.000 0.578 44 L N -0.499 120.648 121.223 -0.127 0.000 3.678 44 L HA -0.219 4.121 4.340 -0.001 0.000 0.425 44 L C 2.211 179.031 176.870 -0.084 0.000 1.240 44 L CA 0.810 55.594 54.840 -0.093 0.000 0.876 44 L CB -0.812 41.195 42.059 -0.087 0.000 1.766 44 L HN 0.638 nan 8.230 nan 0.000 0.917 45 R N -0.067 120.380 120.500 -0.089 0.000 2.200 45 R HA -0.057 4.283 4.340 -0.001 0.000 0.234 45 R C 1.411 177.680 176.300 -0.051 0.000 1.127 45 R CA 1.181 57.237 56.100 -0.072 0.000 0.989 45 R CB -0.406 29.851 30.300 -0.071 0.000 0.869 45 R HN 0.545 nan 8.270 nan 0.000 0.459 46 N N 0.488 119.159 118.700 -0.048 0.000 2.322 46 N HA -0.005 4.734 4.740 -0.001 0.000 0.194 46 N C 0.103 175.591 175.510 -0.037 0.000 1.126 46 N CA 0.041 53.068 53.050 -0.038 0.000 0.845 46 N CB 0.335 38.801 38.487 -0.035 0.000 0.976 46 N HN 0.048 nan 8.380 nan 0.000 0.475 47 V N -0.676 119.212 119.914 -0.043 0.000 2.740 47 V HA 0.128 4.247 4.120 -0.001 0.000 0.303 47 V C 0.422 176.499 176.094 -0.028 0.000 1.054 47 V CA -0.576 61.699 62.300 -0.041 0.000 1.106 47 V CB 0.578 32.371 31.823 -0.049 0.000 0.957 47 V HN 0.053 nan 8.190 nan 0.000 0.486 48 Q N 2.430 122.215 119.800 -0.024 0.000 2.227 48 Q HA 0.656 4.996 4.340 -0.001 0.000 0.245 48 Q C 0.273 176.269 176.000 -0.005 0.000 0.926 48 Q CA -0.427 55.368 55.803 -0.013 0.000 0.895 48 Q CB 1.694 30.424 28.738 -0.012 0.000 1.230 48 Q HN 1.134 nan 8.270 nan 0.000 0.450 49 A N 2.107 124.930 122.820 0.005 0.000 2.548 49 A HA 0.013 4.333 4.320 -0.001 0.000 0.247 49 A C 0.151 177.749 177.584 0.022 0.000 1.067 49 A CA 0.408 52.455 52.037 0.018 0.000 0.757 49 A CB -0.303 18.713 19.000 0.026 0.000 0.996 49 A HN 0.979 nan 8.150 nan 0.000 0.504 50 E N -0.492 119.728 120.200 0.034 0.000 3.628 50 E HA -0.212 4.138 4.350 -0.001 0.000 0.309 50 E C 0.229 176.845 176.600 0.027 0.000 0.839 50 E CA 1.160 57.589 56.400 0.048 0.000 1.123 50 E CB -1.497 28.233 29.700 0.050 0.000 1.568 50 E HN 0.962 nan 8.360 nan 0.000 0.440 51 E N 0.833 121.033 120.200 0.002 0.000 2.373 51 E HA 0.137 4.487 4.350 -0.001 0.000 0.267 51 E C -0.064 176.507 176.600 -0.047 0.000 1.032 51 E CA -0.124 56.261 56.400 -0.026 0.000 0.889 51 E CB 0.608 30.287 29.700 -0.037 0.000 0.984 51 E HN 0.008 nan 8.360 nan 0.000 0.425 52 M N 5.059 124.611 119.600 -0.081 0.000 2.084 52 M HA 0.166 4.646 4.480 -0.001 0.000 0.351 52 M C -0.441 175.765 176.300 -0.157 0.000 1.240 52 M CA -0.515 54.696 55.300 -0.148 0.000 1.083 52 M CB 0.846 33.327 32.600 -0.198 0.000 1.593 52 M HN 0.438 nan 8.290 nan 0.000 0.463 53 V N 1.625 121.424 119.914 -0.192 0.000 3.096 53 V HA 0.668 4.788 4.120 -0.001 0.000 0.319 53 V C -0.567 175.360 176.094 -0.278 0.000 1.103 53 V CA -0.928 61.236 62.300 -0.226 0.000 1.016 53 V CB 2.070 33.735 31.823 -0.263 0.000 1.090 53 V HN 0.856 nan 8.190 nan 0.000 0.449 54 E N 0.328 120.365 120.200 -0.271 0.000 2.187 54 E HA 0.556 4.906 4.350 -0.001 0.000 0.268 54 E C -1.529 174.908 176.600 -0.271 0.000 0.896 54 E CA -0.713 55.566 56.400 -0.200 0.000 0.766 54 E CB 1.592 31.238 29.700 -0.089 0.000 1.142 54 E HN 0.599 nan 8.360 nan 0.000 0.408 55 F N 1.339 121.282 119.950 -0.011 0.000 2.378 55 F HA 0.058 4.585 4.527 -0.001 0.000 0.319 55 F C 2.020 177.821 175.800 0.002 0.000 1.155 55 F CA 0.020 58.021 58.000 0.002 0.000 1.157 55 F CB 1.146 40.154 39.000 0.013 0.000 1.252 55 F HN 0.587 nan 8.300 nan 0.000 0.550 56 S N -0.894 114.928 115.700 0.204 0.000 2.419 56 S HA -0.193 4.276 4.470 -0.001 0.000 0.233 56 S C 1.795 176.456 174.600 0.101 0.000 1.016 56 S CA 1.088 59.355 58.200 0.112 0.000 0.974 56 S CB -0.935 62.319 63.200 0.089 0.000 0.786 56 S HN 0.683 nan 8.310 nan 0.000 0.492 57 S N 0.470 116.246 115.700 0.127 0.000 2.522 57 S HA 0.401 4.870 4.470 -0.001 0.000 0.227 57 S C 1.732 176.380 174.600 0.079 0.000 0.986 57 S CA 0.640 58.888 58.200 0.079 0.000 0.929 57 S CB -0.595 62.632 63.200 0.046 0.000 0.769 57 S HN 1.391 nan 8.310 nan 0.000 0.529 58 G N 0.677 109.542 108.800 0.108 0.000 2.232 58 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.226 58 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.226 58 G C 0.002 174.969 174.900 0.111 0.000 0.996 58 G CA -0.060 45.091 45.100 0.085 0.000 0.626 58 G HN 0.505 nan 8.290 nan 0.000 0.509 59 L N 1.298 122.614 121.223 0.155 0.000 2.483 59 L HA 0.359 4.699 4.340 -0.001 0.000 0.276 59 L C 0.845 177.898 176.870 0.306 0.000 1.213 59 L CA -0.014 54.941 54.840 0.191 0.000 0.843 59 L CB 0.388 42.516 42.059 0.115 0.000 1.107 59 L HN -0.000 nan 8.230 nan 0.000 0.487 60 K N 1.385 121.907 120.400 0.203 0.000 2.139 60 K HA 0.752 5.072 4.320 -0.001 0.000 0.243 60 K C -0.051 176.638 176.600 0.149 0.000 0.983 60 K CA -0.522 55.790 56.287 0.041 0.000 0.890 60 K CB 1.918 34.267 32.500 -0.251 0.000 1.090 60 K HN 0.769 nan 8.250 nan 0.000 0.445 61 G N 0.195 108.973 108.800 -0.036 0.000 2.690 61 G HA2 0.596 4.555 3.960 -0.001 0.000 0.293 61 G HA3 0.596 4.555 3.960 -0.001 0.000 0.293 61 G C -1.595 173.286 174.900 -0.032 0.000 1.399 61 G CA -0.668 44.534 45.100 0.169 0.000 0.890 61 G HN 0.413 nan 8.290 nan 0.000 0.485 62 M N 1.062 120.782 119.600 0.199 0.000 2.311 62 M HA 0.447 4.927 4.480 -0.001 0.000 0.325 62 M C -0.219 176.151 176.300 0.116 0.000 1.061 62 M CA -0.567 54.822 55.300 0.148 0.000 0.957 62 M CB 1.803 34.604 32.600 0.336 0.000 1.646 62 M HN 0.348 nan 8.290 nan 0.000 0.434 63 S N 5.795 121.525 115.700 0.050 0.000 3.530 63 S HA 0.221 4.691 4.470 -0.001 0.000 0.279 63 S C 1.038 175.665 174.600 0.045 0.000 1.280 63 S CA -0.358 57.861 58.200 0.031 0.000 0.946 63 S CB -0.358 62.839 63.200 -0.005 0.000 1.501 63 S HN 0.701 nan 8.310 nan 0.000 0.498 64 L N 1.296 122.551 121.223 0.054 0.000 2.249 64 L HA 0.145 4.485 4.340 -0.001 0.000 0.207 64 L C 0.242 177.131 176.870 0.031 0.000 1.090 64 L CA 0.595 55.462 54.840 0.046 0.000 0.802 64 L CB -0.083 41.994 42.059 0.029 0.000 0.947 64 L HN 0.359 nan 8.230 nan 0.000 0.453 65 N N 0.522 119.235 118.700 0.023 0.000 2.476 65 N HA 0.398 5.138 4.740 -0.001 0.000 0.257 65 N C -1.087 174.432 175.510 0.015 0.000 0.970 65 N CA -0.091 52.969 53.050 0.016 0.000 0.938 65 N CB 1.380 39.873 38.487 0.010 0.000 1.144 65 N HN -0.012 nan 8.380 nan 0.000 0.500 66 L N 2.182 123.413 121.223 0.013 0.000 2.264 66 L HA 0.451 4.791 4.340 -0.001 0.000 0.287 66 L C 0.226 177.100 176.870 0.007 0.000 1.039 66 L CA -0.377 54.466 54.840 0.006 0.000 0.829 66 L CB 0.751 42.812 42.059 0.004 0.000 1.211 66 L HN 0.373 nan 8.230 nan 0.000 0.427 67 E N 3.407 123.610 120.200 0.006 0.000 2.281 67 E HA 0.339 4.688 4.350 -0.001 0.000 0.262 67 E C -1.760 174.843 176.600 0.006 0.000 0.933 67 E CA -1.777 54.628 56.400 0.008 0.000 0.809 67 E CB 1.863 31.570 29.700 0.012 0.000 1.242 67 E HN 0.258 nan 8.360 nan 0.000 0.418 68 P HA -0.201 nan 4.420 nan 0.000 0.216 68 P C 0.402 177.709 177.300 0.012 0.000 1.154 68 P CA 1.489 64.594 63.100 0.008 0.000 0.865 68 P CB 0.144 31.851 31.700 0.011 0.000 0.789 69 D N -2.540 117.875 120.400 0.024 0.000 2.433 69 D HA 0.056 4.696 4.640 -0.001 0.000 0.211 69 D C 0.171 176.507 176.300 0.061 0.000 1.114 69 D CA -0.200 53.829 54.000 0.049 0.000 0.837 69 D CB -0.729 40.107 40.800 0.060 0.000 0.984 69 D HN 0.364 nan 8.370 nan 0.000 0.505 70 N N -1.484 117.236 118.700 0.033 0.000 2.927 70 N HA 0.419 5.159 4.740 -0.001 0.000 0.248 70 N C -1.914 173.604 175.510 0.013 0.000 1.443 70 N CA -1.013 52.057 53.050 0.034 0.000 0.870 70 N CB 1.704 40.223 38.487 0.053 0.000 1.444 70 N HN -0.212 nan 8.380 nan 0.000 0.519 71 V N 0.119 120.041 119.914 0.014 0.000 2.384 71 V HA 0.711 4.830 4.120 -0.001 0.000 0.287 71 V C 0.676 176.788 176.094 0.030 0.000 1.020 71 V CA -0.665 61.641 62.300 0.010 0.000 0.850 71 V CB 1.126 32.943 31.823 -0.010 0.000 0.987 71 V HN 0.875 nan 8.190 nan 0.000 0.436 72 G N 3.923 112.741 108.800 0.029 0.000 2.394 72 G HA2 0.474 4.434 3.960 -0.001 0.000 0.298 72 G HA3 0.474 4.434 3.960 -0.001 0.000 0.298 72 G C -0.559 174.374 174.900 0.056 0.000 1.087 72 G CA -0.129 44.995 45.100 0.040 0.000 1.035 72 G HN 0.535 nan 8.290 nan 0.000 0.420 73 V N 3.784 123.754 119.914 0.093 0.000 2.370 73 V HA 0.248 4.367 4.120 -0.001 0.000 0.283 73 V C 0.232 176.439 176.094 0.188 0.000 1.023 73 V CA -0.859 61.524 62.300 0.138 0.000 0.857 73 V CB 1.651 33.566 31.823 0.153 0.000 0.985 73 V HN 0.462 nan 8.190 nan 0.000 0.443 74 V N 7.168 127.196 119.914 0.191 0.000 2.432 74 V HA 0.341 4.460 4.120 -0.001 0.000 0.271 74 V C 0.064 176.361 176.094 0.338 0.000 1.046 74 V CA 0.018 62.431 62.300 0.190 0.000 0.945 74 V CB 1.752 33.641 31.823 0.110 0.000 0.992 74 V HN 0.659 nan 8.190 nan 0.000 0.471 75 V N 8.038 128.105 119.914 0.254 0.000 2.498 75 V HA 0.280 4.399 4.120 -0.001 0.000 0.279 75 V C 0.085 176.370 176.094 0.318 0.000 1.048 75 V CA -0.258 62.223 62.300 0.301 0.000 0.967 75 V CB 1.056 32.903 31.823 0.040 0.000 0.988 75 V HN 0.757 nan 8.190 nan 0.000 0.473 76 F N 4.569 124.583 119.950 0.107 0.000 2.660 76 F HA 0.634 5.161 4.527 -0.001 0.000 0.342 76 F C 1.037 176.867 175.800 0.051 0.000 1.195 76 F CA 0.205 58.257 58.000 0.087 0.000 1.300 76 F CB -0.018 39.046 39.000 0.106 0.000 1.616 76 F HN 0.758 nan 8.300 nan 0.000 0.592 77 G N 0.397 109.271 108.800 0.124 0.000 2.368 77 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.269 77 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.269 77 G C -1.506 173.400 174.900 0.009 0.000 1.291 77 G CA -1.141 43.997 45.100 0.062 0.000 0.903 77 G HN 0.083 nan 8.290 nan 0.000 0.483 78 N N 1.163 119.860 118.700 -0.006 0.000 2.488 78 N HA 0.272 5.012 4.740 -0.001 0.000 0.274 78 N C 0.687 176.159 175.510 -0.063 0.000 1.111 78 N CA 0.358 53.391 53.050 -0.027 0.000 0.974 78 N CB 1.467 39.943 38.487 -0.018 0.000 1.089 78 N HN 0.535 nan 8.380 nan 0.000 0.465 79 D N 2.307 122.663 120.400 -0.073 0.000 2.349 79 D HA -0.115 4.524 4.640 -0.001 0.000 0.224 79 D C 1.257 177.503 176.300 -0.091 0.000 1.029 79 D CA 0.600 54.534 54.000 -0.111 0.000 0.879 79 D CB -0.121 40.619 40.800 -0.099 0.000 0.906 79 D HN 0.714 nan 8.370 nan 0.000 0.528 80 K N 0.695 121.059 120.400 -0.061 0.000 2.280 80 K HA -0.073 4.246 4.320 -0.001 0.000 0.202 80 K C 1.457 178.028 176.600 -0.048 0.000 1.047 80 K CA 0.808 57.068 56.287 -0.045 0.000 0.942 80 K CB -0.304 32.179 32.500 -0.028 0.000 0.739 80 K HN 0.210 nan 8.250 nan 0.000 0.457 81 L N 1.233 122.418 121.223 -0.064 0.000 2.611 81 L HA 0.308 4.647 4.340 -0.001 0.000 0.229 81 L C 0.241 177.059 176.870 -0.086 0.000 1.137 81 L CA -0.192 54.614 54.840 -0.057 0.000 0.901 81 L CB 0.066 42.100 42.059 -0.042 0.000 1.098 81 L HN 0.162 nan 8.230 nan 0.000 0.456 82 I N 0.110 120.603 120.570 -0.128 0.000 2.436 82 I HA 0.290 4.460 4.170 -0.001 0.000 0.289 82 I C -0.356 175.717 176.117 -0.073 0.000 1.010 82 I CA -0.415 60.793 61.300 -0.153 0.000 1.098 82 I CB 1.741 39.516 38.000 -0.375 0.000 1.266 82 I HN -0.021 nan 8.210 nan 0.000 0.434 83 K N 4.297 124.684 120.400 -0.021 0.000 2.395 83 K HA 0.364 4.683 4.320 -0.001 0.000 0.247 83 K C -0.645 175.970 176.600 0.024 0.000 0.973 83 K CA -0.966 55.320 56.287 -0.001 0.000 0.828 83 K CB 2.292 34.795 32.500 0.004 0.000 1.272 83 K HN 0.516 nan 8.250 nan 0.000 0.439 84 E N 0.363 120.575 120.200 0.021 0.000 2.529 84 E HA -0.058 4.291 4.350 -0.001 0.000 0.259 84 E C 0.475 177.096 176.600 0.035 0.000 0.966 84 E CA 1.326 57.744 56.400 0.030 0.000 0.937 84 E CB 0.075 29.786 29.700 0.018 0.000 0.923 84 E HN 0.769 nan 8.360 nan 0.000 0.468 85 G N 3.864 112.692 108.800 0.047 0.000 2.175 85 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.244 85 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.244 85 G C -0.217 174.718 174.900 0.058 0.000 0.982 85 G CA 0.106 45.233 45.100 0.044 0.000 0.641 85 G HN 0.658 nan 8.290 nan 0.000 0.527 86 D N 0.426 120.873 120.400 0.079 0.000 2.424 86 D HA 0.453 5.092 4.640 -0.001 0.000 0.244 86 D C 0.889 177.256 176.300 0.111 0.000 1.134 86 D CA -0.041 54.020 54.000 0.101 0.000 0.881 86 D CB 0.725 41.608 40.800 0.138 0.000 1.191 86 D HN 0.236 nan 8.370 nan 0.000 0.445 87 I N 1.949 122.570 120.570 0.085 0.000 2.529 87 I HA 0.079 4.249 4.170 -0.001 0.000 0.284 87 I C -0.055 176.081 176.117 0.031 0.000 1.082 87 I CA -0.067 61.264 61.300 0.052 0.000 1.406 87 I CB 0.974 38.993 38.000 0.031 0.000 1.405 87 I HN 0.015 nan 8.210 nan 0.000 0.548 88 V N 6.635 126.529 119.914 -0.033 0.000 2.540 88 V HA 0.492 4.612 4.120 -0.001 0.000 0.302 88 V C -0.202 175.809 176.094 -0.137 0.000 1.035 88 V CA -0.983 61.220 62.300 -0.162 0.000 0.873 88 V CB 1.668 33.338 31.823 -0.256 0.000 0.992 88 V HN 0.586 nan 8.190 nan 0.000 0.428 89 K N 3.599 123.903 120.400 -0.160 0.000 2.324 89 K HA 0.587 4.907 4.320 -0.001 0.000 0.253 89 K C -0.615 175.910 176.600 -0.126 0.000 0.932 89 K CA -0.871 55.349 56.287 -0.112 0.000 0.799 89 K CB 2.591 35.047 32.500 -0.075 0.000 1.154 89 K HN 0.557 nan 8.250 nan 0.000 0.425 90 R N 1.017 121.458 120.500 -0.099 0.000 2.489 90 R HA 0.034 4.374 4.340 -0.001 0.000 0.287 90 R C 0.656 176.913 176.300 -0.072 0.000 1.053 90 R CA 0.309 56.357 56.100 -0.087 0.000 1.036 90 R CB 0.269 30.528 30.300 -0.069 0.000 0.966 90 R HN 0.749 nan 8.270 nan 0.000 0.432 91 T N -1.666 112.845 114.554 -0.072 0.000 3.091 91 T HA 0.199 4.548 4.350 -0.001 0.000 0.277 91 T C 1.156 175.827 174.700 -0.048 0.000 0.996 91 T CA 0.084 62.150 62.100 -0.057 0.000 0.897 91 T CB 0.823 69.655 68.868 -0.061 0.000 1.109 91 T HN 0.799 nan 8.240 nan 0.000 0.534 92 G N 1.697 110.467 108.800 -0.049 0.000 2.153 92 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.252 92 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.252 92 G C 0.374 175.249 174.900 -0.042 0.000 0.994 92 G CA -0.107 44.969 45.100 -0.040 0.000 0.698 92 G HN 1.290 nan 8.290 nan 0.000 0.521 93 A N 0.096 122.884 122.820 -0.054 0.000 2.520 93 A HA 0.530 4.850 4.320 -0.001 0.000 0.245 93 A C 0.666 178.219 177.584 -0.051 0.000 1.072 93 A CA 0.252 52.255 52.037 -0.058 0.000 0.761 93 A CB 0.393 19.344 19.000 -0.082 0.000 1.004 93 A HN 1.089 nan 8.150 nan 0.000 0.499 94 I N 4.180 124.725 120.570 -0.041 0.000 2.377 94 I HA 0.300 4.469 4.170 -0.001 0.000 0.293 94 I C -0.334 175.764 176.117 -0.032 0.000 0.987 94 I CA -0.490 60.791 61.300 -0.032 0.000 1.185 94 I CB 1.717 39.703 38.000 -0.023 0.000 1.341 94 I HN 0.326 nan 8.210 nan 0.000 0.455 95 V N 8.157 128.055 119.914 -0.027 0.000 2.287 95 V HA 0.133 4.252 4.120 -0.001 0.000 0.246 95 V C -0.110 175.982 176.094 -0.003 0.000 1.165 95 V CA -0.289 62.002 62.300 -0.015 0.000 1.088 95 V CB -0.510 31.312 31.823 -0.002 0.000 1.242 95 V HN 0.770 nan 8.190 nan 0.000 0.497 96 D N 3.639 124.039 120.400 -0.000 0.000 2.566 96 D HA 0.729 5.368 4.640 -0.001 0.000 0.254 96 D C -0.475 175.832 176.300 0.013 0.000 1.090 96 D CA -0.688 53.315 54.000 0.005 0.000 1.034 96 D CB 2.376 43.174 40.800 -0.003 0.000 1.434 96 D HN 0.301 nan 8.370 nan 0.000 0.509 97 V N -4.962 114.958 119.914 0.011 0.000 3.078 97 V HA 0.724 4.844 4.120 -0.001 0.000 0.311 97 V C -2.855 173.232 176.094 -0.011 0.000 1.138 97 V CA -2.258 60.049 62.300 0.011 0.000 1.007 97 V CB 1.780 33.619 31.823 0.027 0.000 1.045 97 V HN 0.581 nan 8.190 nan 0.000 0.432 98 P HA 0.329 nan 4.420 nan 0.000 0.269 98 P C -0.832 176.419 177.300 -0.081 0.000 1.215 98 P CA 0.087 63.156 63.100 -0.052 0.000 0.780 98 P CB 1.429 33.103 31.700 -0.043 0.000 0.898 99 V N 1.333 121.152 119.914 -0.159 0.000 2.851 99 V HA 0.775 4.895 4.120 -0.001 0.000 0.307 99 V C 0.219 175.974 176.094 -0.564 0.000 1.129 99 V CA 0.414 62.549 62.300 -0.275 0.000 0.932 99 V CB 1.842 33.552 31.823 -0.189 0.000 1.024 99 V HN 1.110 nan 8.190 nan 0.000 0.426 100 G N 3.452 111.738 108.800 -0.858 0.000 2.353 100 G HA2 0.031 3.991 3.960 -0.001 0.000 0.424 100 G HA3 0.031 3.991 3.960 -0.001 0.000 0.424 100 G C -0.048 174.523 174.900 -0.547 0.000 1.320 100 G CA -0.115 44.280 45.100 -1.176 0.000 0.995 100 G HN 0.598 nan 8.290 nan 0.000 0.580 101 E N 0.284 120.274 120.200 -0.350 0.000 2.472 101 E HA -0.088 4.262 4.350 -0.001 0.000 0.200 101 E C 1.960 178.554 176.600 -0.009 0.000 1.046 101 E CA 1.119 57.487 56.400 -0.054 0.000 0.871 101 E CB 0.099 29.805 29.700 0.010 0.000 0.806 101 E HN 0.596 nan 8.360 nan 0.000 0.533 102 E N 0.679 120.836 120.200 -0.072 0.000 2.274 102 E HA -0.136 4.214 4.350 -0.001 0.000 0.194 102 E C 1.981 178.576 176.600 -0.009 0.000 0.996 102 E CA 0.506 56.886 56.400 -0.034 0.000 0.840 102 E CB -0.296 29.369 29.700 -0.057 0.000 0.772 102 E HN 0.339 nan 8.360 nan 0.000 0.491 103 L N 0.799 122.015 121.223 -0.010 0.000 2.291 103 L HA 0.027 4.367 4.340 -0.001 0.000 0.214 103 L C 1.224 178.134 176.870 0.066 0.000 1.120 103 L CA 0.136 54.991 54.840 0.024 0.000 0.799 103 L CB -0.345 41.730 42.059 0.026 0.000 0.925 103 L HN -0.001 nan 8.230 nan 0.000 0.446 104 L N 0.884 122.167 121.223 0.101 0.000 2.534 104 L HA 0.079 4.419 4.340 -0.001 0.000 0.271 104 L C 1.316 178.229 176.870 0.071 0.000 1.178 104 L CA 0.697 55.613 54.840 0.126 0.000 0.907 104 L CB -0.103 42.074 42.059 0.197 0.000 1.164 104 L HN 0.364 nan 8.230 nan 0.000 0.482 105 G N 2.107 110.931 108.800 0.039 0.000 2.175 105 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.244 105 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.244 105 G C 0.217 175.119 174.900 0.003 0.000 0.982 105 G CA -0.545 44.556 45.100 0.003 0.000 0.641 105 G HN 0.459 nan 8.290 nan 0.000 0.527 106 R N -0.211 120.300 120.500 0.018 0.000 2.668 106 R HA 0.710 5.050 4.340 -0.001 0.000 0.279 106 R C -0.299 176.015 176.300 0.023 0.000 0.976 106 R CA -0.765 55.345 56.100 0.018 0.000 0.978 106 R CB 1.802 32.115 30.300 0.020 0.000 1.133 106 R HN 0.228 nan 8.270 nan 0.000 0.484 107 V N 2.834 122.761 119.914 0.021 0.000 2.384 107 V HA 0.415 4.535 4.120 -0.001 0.000 0.287 107 V C 0.241 176.355 176.094 0.032 0.000 1.020 107 V CA -0.768 61.550 62.300 0.030 0.000 0.850 107 V CB 1.422 33.259 31.823 0.024 0.000 0.987 107 V HN 0.593 nan 8.190 nan 0.000 0.436 108 V N 1.217 121.155 119.914 0.040 0.000 3.046 108 V HA 0.823 4.943 4.120 -0.001 0.000 0.316 108 V C -0.297 175.824 176.094 0.045 0.000 1.104 108 V CA -0.894 61.429 62.300 0.039 0.000 1.006 108 V CB 2.072 33.917 31.823 0.037 0.000 1.058 108 V HN 0.781 nan 8.190 nan 0.000 0.440 109 D N 1.756 122.183 120.400 0.046 0.000 2.440 109 D HA 0.461 5.100 4.640 -0.001 0.000 0.269 109 D C 1.281 177.615 176.300 0.056 0.000 1.249 109 D CA 0.111 54.142 54.000 0.051 0.000 1.055 109 D CB 0.732 41.565 40.800 0.055 0.000 1.104 109 D HN 0.837 nan 8.370 nan 0.000 0.561 110 A N -0.891 121.966 122.820 0.062 0.000 2.076 110 A HA -0.059 4.260 4.320 -0.001 0.000 0.220 110 A C 2.092 179.727 177.584 0.085 0.000 1.160 110 A CA 1.054 53.132 52.037 0.068 0.000 0.653 110 A CB -0.789 18.250 19.000 0.065 0.000 0.801 110 A HN 0.519 nan 8.150 nan 0.000 0.455 111 L N -2.059 119.219 121.223 0.091 0.000 2.693 111 L HA 0.312 4.652 4.340 -0.001 0.000 0.235 111 L C 1.491 178.395 176.870 0.058 0.000 1.127 111 L CA 0.467 55.361 54.840 0.090 0.000 0.914 111 L CB 0.290 42.416 42.059 0.112 0.000 1.193 111 L HN 0.514 nan 8.230 nan 0.000 0.502 112 G N -0.097 108.733 108.800 0.050 0.000 2.157 112 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.239 112 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.239 112 G C 0.021 174.938 174.900 0.028 0.000 0.982 112 G CA -0.389 44.731 45.100 0.034 0.000 0.650 112 G HN 0.355 nan 8.290 nan 0.000 0.527 113 N N 1.178 119.900 118.700 0.035 0.000 2.497 113 N HA 0.494 5.234 4.740 -0.001 0.000 0.271 113 N C 0.661 176.188 175.510 0.028 0.000 1.142 113 N CA 0.621 53.689 53.050 0.030 0.000 0.965 113 N CB 1.324 39.833 38.487 0.037 0.000 1.077 113 N HN 0.715 nan 8.380 nan 0.000 0.462 114 A N 2.134 124.966 122.820 0.021 0.000 2.520 114 A HA 0.184 4.504 4.320 -0.001 0.000 0.245 114 A C 1.283 178.880 177.584 0.022 0.000 1.072 114 A CA -0.092 51.957 52.037 0.019 0.000 0.761 114 A CB -0.459 18.549 19.000 0.013 0.000 1.004 114 A HN 0.833 nan 8.150 nan 0.000 0.499 115 I N -0.945 119.639 120.570 0.023 0.000 4.225 115 I HA 0.248 4.418 4.170 -0.001 0.000 0.327 115 I C 0.254 176.382 176.117 0.017 0.000 1.422 115 I CA 0.002 61.315 61.300 0.022 0.000 1.150 115 I CB 0.478 38.495 38.000 0.028 0.000 1.192 115 I HN 0.460 nan 8.210 nan 0.000 0.440 116 D N 1.227 121.635 120.400 0.014 0.000 2.339 116 D HA 0.151 4.791 4.640 -0.001 0.000 0.217 116 D C 1.681 177.985 176.300 0.006 0.000 1.050 116 D CA 0.624 54.629 54.000 0.008 0.000 0.856 116 D CB 0.072 40.876 40.800 0.006 0.000 0.922 116 D HN 0.429 nan 8.370 nan 0.000 0.518 117 G N 0.749 109.553 108.800 0.008 0.000 2.153 117 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.252 117 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.252 117 G C 0.688 175.591 174.900 0.004 0.000 0.994 117 G CA 0.389 45.493 45.100 0.006 0.000 0.698 117 G HN 0.453 nan 8.290 nan 0.000 0.521 118 K N 0.240 120.643 120.400 0.004 0.000 2.493 118 K HA 0.475 4.795 4.320 -0.001 0.000 0.207 118 K C 1.481 178.083 176.600 0.003 0.000 1.033 118 K CA 0.454 56.743 56.287 0.003 0.000 1.161 118 K CB 0.262 32.763 32.500 0.002 0.000 0.873 118 K HN 1.381 nan 8.250 nan 0.000 0.491 119 G N 2.475 111.278 108.800 0.004 0.000 2.660 119 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.215 119 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.215 119 G C -2.666 172.236 174.900 0.004 0.000 1.345 119 G CA -1.057 44.045 45.100 0.004 0.000 0.877 119 G HN 0.127 nan 8.290 nan 0.000 0.549 120 P HA 0.489 nan 4.420 nan 0.000 0.275 120 P C 0.129 177.427 177.300 -0.003 0.000 1.228 120 P CA -0.456 62.643 63.100 -0.000 0.000 0.786 120 P CB 0.584 32.283 31.700 -0.002 0.000 0.927 121 I N 1.858 122.425 120.570 -0.005 0.000 2.517 121 I HA 0.061 4.230 4.170 -0.001 0.000 0.285 121 I C 1.691 177.796 176.117 -0.020 0.000 1.106 121 I CA 0.253 61.545 61.300 -0.012 0.000 1.402 121 I CB -0.139 37.852 38.000 -0.014 0.000 1.399 121 I HN 0.528 nan 8.210 nan 0.000 0.535 122 G N 4.533 113.319 108.800 -0.023 0.000 3.452 122 G HA2 0.007 3.967 3.960 -0.001 0.000 0.258 122 G HA3 0.007 3.967 3.960 -0.001 0.000 0.258 122 G C 0.658 175.532 174.900 -0.044 0.000 1.305 122 G CA -0.176 44.908 45.100 -0.027 0.000 1.514 122 G HN 0.618 nan 8.290 nan 0.000 0.593 123 S N -0.284 115.384 115.700 -0.053 0.000 2.516 123 S HA 0.148 4.618 4.470 -0.001 0.000 0.282 123 S C 1.425 175.982 174.600 -0.073 0.000 1.286 123 S CA -0.143 58.008 58.200 -0.081 0.000 1.066 123 S CB 0.642 63.794 63.200 -0.080 0.000 0.884 123 S HN 0.508 nan 8.310 nan 0.000 0.491 124 K N 2.897 123.242 120.400 -0.091 0.000 2.352 124 K HA 0.293 4.613 4.320 -0.001 0.000 0.194 124 K C 0.423 176.983 176.600 -0.068 0.000 1.038 124 K CA 0.333 56.579 56.287 -0.068 0.000 1.023 124 K CB 0.451 32.916 32.500 -0.058 0.000 0.840 124 K HN 0.610 nan 8.250 nan 0.000 0.519 125 A N 1.348 124.106 122.820 -0.103 0.000 2.454 125 A HA 0.679 4.999 4.320 -0.001 0.000 0.302 125 A C -0.994 176.536 177.584 -0.090 0.000 1.079 125 A CA -0.821 51.165 52.037 -0.085 0.000 0.731 125 A CB 1.368 20.318 19.000 -0.082 0.000 1.299 125 A HN 0.049 nan 8.150 nan 0.000 0.413 126 R N -0.097 120.372 120.500 -0.051 0.000 2.837 126 R HA 0.791 5.130 4.340 -0.001 0.000 0.271 126 R C -0.761 175.530 176.300 -0.016 0.000 0.993 126 R CA -0.870 55.206 56.100 -0.039 0.000 0.931 126 R CB 2.655 32.938 30.300 -0.027 0.000 1.206 126 R HN 0.779 nan 8.270 nan 0.000 0.474 127 R N 0.904 121.400 120.500 -0.007 0.000 2.584 127 R HA 0.303 4.642 4.340 -0.001 0.000 0.276 127 R C -0.974 175.333 176.300 0.011 0.000 1.046 127 R CA -0.770 55.336 56.100 0.011 0.000 0.906 127 R CB 1.747 32.064 30.300 0.028 0.000 1.215 127 R HN 0.552 nan 8.270 nan 0.000 0.449 128 R N 1.831 122.336 120.500 0.010 0.000 2.585 128 R HA -0.010 4.329 4.340 -0.001 0.000 0.275 128 R C 1.436 177.742 176.300 0.010 0.000 1.018 128 R CA 0.323 56.426 56.100 0.004 0.000 1.072 128 R CB 0.736 31.034 30.300 -0.004 0.000 0.953 128 R HN 0.571 nan 8.270 nan 0.000 0.419 129 V N 0.716 120.632 119.914 0.004 0.000 2.719 129 V HA 0.122 4.242 4.120 -0.001 0.000 0.252 129 V C 0.865 176.940 176.094 -0.031 0.000 1.065 129 V CA 1.417 63.726 62.300 0.016 0.000 1.086 129 V CB 0.060 31.898 31.823 0.024 0.000 0.700 129 V HN 0.725 nan 8.190 nan 0.000 0.467 130 G N 1.384 110.135 108.800 -0.080 0.000 2.800 130 G HA2 0.649 4.609 3.960 -0.001 0.000 0.340 130 G HA3 0.649 4.609 3.960 -0.001 0.000 0.340 130 G C -0.942 173.914 174.900 -0.073 0.000 1.089 130 G CA -0.381 44.633 45.100 -0.143 0.000 1.144 130 G HN 0.370 nan 8.290 nan 0.000 0.461 131 L N 0.900 122.098 121.223 -0.043 0.000 2.371 131 L HA 0.514 4.854 4.340 -0.001 0.000 0.262 131 L C 0.168 177.032 176.870 -0.010 0.000 1.006 131 L CA -1.128 53.703 54.840 -0.016 0.000 0.818 131 L CB 2.818 44.881 42.059 0.006 0.000 1.354 131 L HN 0.252 nan 8.230 nan 0.000 0.415 132 K N 0.901 121.299 120.400 -0.003 0.000 2.202 132 K HA 0.530 4.849 4.320 -0.001 0.000 0.264 132 K C -0.131 176.472 176.600 0.005 0.000 1.010 132 K CA -0.403 55.887 56.287 0.004 0.000 0.940 132 K CB 1.224 33.731 32.500 0.012 0.000 0.983 132 K HN 0.648 nan 8.250 nan 0.000 0.475 133 A N 3.436 126.259 122.820 0.006 0.000 2.366 133 A HA 0.295 4.615 4.320 -0.001 0.000 0.249 133 A C -2.130 175.440 177.584 -0.023 0.000 1.084 133 A CA -1.201 50.834 52.037 -0.002 0.000 0.794 133 A CB -0.450 18.551 19.000 0.003 0.000 1.034 133 A HN 0.463 nan 8.150 nan 0.000 0.491 134 P HA 0.213 nan 4.420 nan 0.000 0.265 134 P C 0.677 177.926 177.300 -0.084 0.000 1.187 134 P CA 0.563 63.603 63.100 -0.100 0.000 0.766 134 P CB 0.430 32.046 31.700 -0.139 0.000 0.820 135 G N 1.713 110.453 108.800 -0.099 0.000 2.516 135 G HA2 0.095 4.054 3.960 -0.001 0.000 0.276 135 G HA3 0.095 4.054 3.960 -0.001 0.000 0.276 135 G C 1.111 175.968 174.900 -0.072 0.000 1.390 135 G CA -0.548 44.513 45.100 -0.065 0.000 1.050 135 G HN 0.364 nan 8.290 nan 0.000 0.519 136 I N 0.075 120.618 120.570 -0.044 0.000 2.179 136 I HA -0.128 4.041 4.170 -0.001 0.000 0.242 136 I C 2.753 178.840 176.117 -0.050 0.000 1.088 136 I CA 1.083 62.363 61.300 -0.034 0.000 1.357 136 I CB -0.776 37.216 38.000 -0.012 0.000 1.051 136 I HN 0.270 nan 8.210 nan 0.000 0.409 137 I N 1.310 121.845 120.570 -0.057 0.000 2.202 137 I HA -0.138 4.031 4.170 -0.001 0.000 0.242 137 I C -0.272 175.790 176.117 -0.091 0.000 1.091 137 I CA 1.450 62.724 61.300 -0.043 0.000 1.368 137 I CB -2.749 35.249 38.000 -0.003 0.000 1.058 137 I HN 0.147 nan 8.210 nan 0.000 0.410 138 P HA -0.037 nan 4.420 nan 0.000 0.239 138 P C 0.277 177.419 177.300 -0.264 0.000 1.184 138 P CA 0.819 63.575 63.100 -0.573 0.000 0.760 138 P CB 0.035 31.026 31.700 -1.181 0.000 0.884 139 R N -0.537 119.884 120.500 -0.132 0.000 2.674 139 R HA 0.683 5.022 4.340 -0.001 0.000 0.266 139 R C -0.452 175.842 176.300 -0.010 0.000 1.016 139 R CA -0.907 55.157 56.100 -0.061 0.000 1.062 139 R CB 1.040 31.308 30.300 -0.053 0.000 1.142 139 R HN -0.081 nan 8.270 nan 0.000 0.517 140 I N -0.767 119.807 120.570 0.005 0.000 2.865 140 I HA 0.194 4.364 4.170 -0.001 0.000 0.302 140 I C -0.573 175.551 176.117 0.012 0.000 1.140 140 I CA -0.206 61.104 61.300 0.016 0.000 1.021 140 I CB 2.491 40.508 38.000 0.030 0.000 1.233 140 I HN 0.505 nan 8.210 nan 0.000 0.427 141 S N 3.132 118.838 115.700 0.011 0.000 2.573 141 S HA 0.116 4.585 4.470 -0.001 0.000 0.297 141 S C -0.293 174.312 174.600 0.007 0.000 1.280 141 S CA -0.385 57.820 58.200 0.008 0.000 1.061 141 S CB 0.101 63.305 63.200 0.007 0.000 0.812 141 S HN 0.388 nan 8.310 nan 0.000 0.500 142 V N 5.873 125.789 119.914 0.004 0.000 2.485 142 V HA 0.141 4.260 4.120 -0.001 0.000 0.287 142 V C 1.280 177.369 176.094 -0.008 0.000 1.022 142 V CA 0.707 63.007 62.300 -0.001 0.000 1.067 142 V CB 0.347 32.169 31.823 -0.003 0.000 0.967 142 V HN 0.857 nan 8.190 nan 0.000 0.479 143 R N 2.113 122.604 120.500 -0.015 0.000 2.551 143 R HA 0.193 4.532 4.340 -0.001 0.000 0.316 143 R C -0.134 176.139 176.300 -0.045 0.000 0.934 143 R CA -0.227 55.859 56.100 -0.023 0.000 1.117 143 R CB 1.043 31.335 30.300 -0.014 0.000 1.626 143 R HN 0.701 nan 8.270 nan 0.000 0.513 144 E N 2.368 122.529 120.200 -0.066 0.000 2.197 144 E HA 0.259 4.609 4.350 -0.001 0.000 0.281 144 E C -2.609 173.912 176.600 -0.131 0.000 0.995 144 E CA -2.155 54.175 56.400 -0.116 0.000 0.808 144 E CB 1.381 30.977 29.700 -0.173 0.000 1.093 144 E HN -0.149 nan 8.360 nan 0.000 0.394 145 P HA -0.020 nan 4.420 nan 0.000 0.268 145 P C -0.688 176.502 177.300 -0.183 0.000 1.204 145 P CA 0.057 63.076 63.100 -0.134 0.000 0.768 145 P CB 0.445 32.070 31.700 -0.126 0.000 0.842 146 M N 3.762 123.283 119.600 -0.132 0.000 2.060 146 M HA 0.145 4.624 4.480 -0.001 0.000 0.342 146 M C -0.678 175.575 176.300 -0.078 0.000 1.031 146 M CA -0.458 54.763 55.300 -0.132 0.000 0.981 146 M CB 0.398 32.943 32.600 -0.091 0.000 1.376 146 M HN 0.311 nan 8.290 nan 0.000 0.397 147 Q N 2.559 122.316 119.800 -0.073 0.000 2.295 147 Q HA 0.172 4.511 4.340 -0.001 0.000 0.259 147 Q C 1.288 177.327 176.000 0.065 0.000 0.976 147 Q CA 0.131 55.950 55.803 0.025 0.000 0.923 147 Q CB 0.858 29.668 28.738 0.121 0.000 1.185 147 Q HN 0.761 nan 8.270 nan 0.000 0.410 148 T N -1.384 113.194 114.554 0.040 0.000 3.014 148 T HA 0.089 4.438 4.350 -0.001 0.000 0.263 148 T C 1.256 175.981 174.700 0.041 0.000 1.078 148 T CA 0.673 62.795 62.100 0.037 0.000 1.135 148 T CB 0.060 68.938 68.868 0.017 0.000 0.895 148 T HN 0.829 nan 8.240 nan 0.000 0.480 149 G N 1.403 110.228 108.800 0.042 0.000 2.159 149 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.256 149 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.256 149 G C -0.003 174.903 174.900 0.010 0.000 0.977 149 G CA 0.179 45.294 45.100 0.025 0.000 0.652 149 G HN 0.676 nan 8.290 nan 0.000 0.531 150 I N 0.576 121.152 120.570 0.010 0.000 2.330 150 I HA 0.280 4.449 4.170 -0.001 0.000 0.289 150 I C 1.519 177.641 176.117 0.008 0.000 1.001 150 I CA -0.855 60.447 61.300 0.002 0.000 1.193 150 I CB 1.405 39.404 38.000 -0.001 0.000 1.345 150 I HN -0.028 nan 8.210 nan 0.000 0.461 151 K N 4.182 124.586 120.400 0.008 0.000 2.044 151 K HA -0.236 4.083 4.320 -0.001 0.000 0.210 151 K C 2.074 178.683 176.600 0.015 0.000 1.049 151 K CA 1.943 58.239 56.287 0.014 0.000 0.927 151 K CB -0.165 32.345 32.500 0.016 0.000 0.713 151 K HN 0.802 nan 8.250 nan 0.000 0.443 152 A N 0.833 123.661 122.820 0.012 0.000 1.933 152 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 152 A C 2.357 179.953 177.584 0.019 0.000 1.175 152 A CA 1.491 53.538 52.037 0.017 0.000 0.628 152 A CB -0.478 18.532 19.000 0.018 0.000 0.814 152 A HN 0.092 nan 8.150 nan 0.000 0.444 153 V N 0.183 120.106 119.914 0.014 0.000 2.273 153 V HA -0.148 3.972 4.120 -0.001 0.000 0.242 153 V C 2.052 178.153 176.094 0.011 0.000 1.035 153 V CA 1.997 64.304 62.300 0.012 0.000 1.013 153 V CB -0.784 31.042 31.823 0.006 0.000 0.652 153 V HN 0.437 nan 8.190 nan 0.000 0.452 154 D N 0.528 120.935 120.400 0.012 0.000 2.218 154 D HA -0.121 4.518 4.640 -0.001 0.000 0.204 154 D C 2.364 178.671 176.300 0.013 0.000 0.976 154 D CA 1.738 55.745 54.000 0.011 0.000 0.853 154 D CB -0.092 40.718 40.800 0.016 0.000 0.939 154 D HN 0.602 nan 8.370 nan 0.000 0.481 155 S N -0.858 114.852 115.700 0.017 0.000 2.427 155 S HA 0.074 4.544 4.470 -0.001 0.000 0.224 155 S C 1.856 176.468 174.600 0.020 0.000 1.047 155 S CA 0.129 58.340 58.200 0.019 0.000 0.953 155 S CB -0.103 63.111 63.200 0.023 0.000 0.824 155 S HN 0.204 nan 8.310 nan 0.000 0.502 156 L N 0.893 122.130 121.223 0.022 0.000 2.642 156 L HA 0.416 4.755 4.340 -0.001 0.000 0.233 156 L C -0.131 176.757 176.870 0.029 0.000 1.077 156 L CA -0.007 54.849 54.840 0.027 0.000 0.879 156 L CB 0.945 43.024 42.059 0.032 0.000 1.151 156 L HN 0.171 nan 8.230 nan 0.000 0.495 157 V N 0.215 120.143 119.914 0.023 0.000 2.647 157 V HA 0.254 4.373 4.120 -0.001 0.000 0.305 157 V C -2.445 173.654 176.094 0.008 0.000 1.162 157 V CA -1.231 61.081 62.300 0.020 0.000 1.248 157 V CB -0.072 31.764 31.823 0.021 0.000 1.508 157 V HN -0.006 nan 8.190 nan 0.000 0.647 158 P HA 0.293 nan 4.420 nan 0.000 0.268 158 P C -0.421 176.873 177.300 -0.010 0.000 1.205 158 P CA 0.352 63.451 63.100 -0.002 0.000 0.771 158 P CB 1.486 33.184 31.700 -0.002 0.000 0.858 159 I N 1.762 122.321 120.570 -0.018 0.000 2.404 159 I HA 0.497 4.667 4.170 -0.001 0.000 0.293 159 I C 1.023 177.118 176.117 -0.037 0.000 0.992 159 I CA -0.458 60.827 61.300 -0.025 0.000 1.149 159 I CB 1.993 39.977 38.000 -0.027 0.000 1.315 159 I HN 0.328 nan 8.210 nan 0.000 0.446 160 G N 4.408 113.187 108.800 -0.035 0.000 2.471 160 G HA2 0.573 4.533 3.960 -0.001 0.000 0.332 160 G HA3 0.573 4.533 3.960 -0.001 0.000 0.332 160 G C -0.610 174.263 174.900 -0.044 0.000 1.176 160 G CA -0.856 44.216 45.100 -0.046 0.000 0.949 160 G HN 0.518 nan 8.290 nan 0.000 0.488 161 R N -0.188 120.277 120.500 -0.058 0.000 2.370 161 R HA 0.426 4.765 4.340 -0.001 0.000 0.309 161 R C 1.163 177.470 176.300 0.011 0.000 1.059 161 R CA 1.275 57.354 56.100 -0.034 0.000 0.981 161 R CB 0.763 31.018 30.300 -0.076 0.000 0.972 161 R HN 1.053 nan 8.270 nan 0.000 0.437 162 G N 1.751 110.563 108.800 0.021 0.000 2.218 162 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.216 162 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.216 162 G C 0.157 175.062 174.900 0.009 0.000 0.994 162 G CA -0.205 44.909 45.100 0.024 0.000 0.637 162 G HN 0.571 nan 8.290 nan 0.000 0.505 163 Q N 0.220 120.020 119.800 -0.001 0.000 2.368 163 Q HA 0.640 4.980 4.340 -0.001 0.000 0.237 163 Q C -0.185 175.811 176.000 -0.008 0.000 0.987 163 Q CA -0.370 55.429 55.803 -0.006 0.000 0.896 163 Q CB 0.388 29.118 28.738 -0.013 0.000 1.241 163 Q HN 0.296 nan 8.270 nan 0.000 0.485 164 R N 2.172 122.666 120.500 -0.010 0.000 2.337 164 R HA 0.298 4.637 4.340 -0.001 0.000 0.319 164 R C -1.433 174.850 176.300 -0.030 0.000 0.954 164 R CA -0.511 55.579 56.100 -0.016 0.000 0.840 164 R CB 1.505 31.796 30.300 -0.015 0.000 1.164 164 R HN 0.436 nan 8.270 nan 0.000 0.472 165 E N 2.694 122.871 120.200 -0.039 0.000 2.155 165 E HA 0.271 4.621 4.350 -0.001 0.000 0.264 165 E C -1.336 175.217 176.600 -0.078 0.000 0.886 165 E CA -0.928 55.438 56.400 -0.056 0.000 0.752 165 E CB 0.898 30.570 29.700 -0.047 0.000 1.133 165 E HN 0.348 nan 8.360 nan 0.000 0.414 166 L N 5.584 126.739 121.223 -0.113 0.000 2.367 166 L HA 0.418 4.758 4.340 -0.001 0.000 0.275 166 L C -0.848 175.920 176.870 -0.171 0.000 1.129 166 L CA 0.233 54.985 54.840 -0.147 0.000 0.839 166 L CB 0.438 42.385 42.059 -0.187 0.000 1.133 166 L HN 0.638 nan 8.230 nan 0.000 0.453 167 I N 6.997 127.487 120.570 -0.133 0.000 2.312 167 I HA 0.404 4.573 4.170 -0.001 0.000 0.290 167 I C -0.281 175.760 176.117 -0.126 0.000 1.008 167 I CA -0.165 61.063 61.300 -0.119 0.000 1.226 167 I CB 1.176 39.139 38.000 -0.061 0.000 1.371 167 I HN 0.572 nan 8.210 nan 0.000 0.468 168 I N 5.425 125.902 120.570 -0.156 0.000 2.619 168 I HA 0.891 5.060 4.170 -0.001 0.000 0.292 168 I C -0.412 175.697 176.117 -0.013 0.000 1.100 168 I CA 0.015 61.247 61.300 -0.112 0.000 1.043 168 I CB 2.023 39.905 38.000 -0.196 0.000 1.239 168 I HN 0.695 nan 8.210 nan 0.000 0.420 169 G N 4.811 113.628 108.800 0.029 0.000 2.316 169 G HA2 0.180 4.139 3.960 -0.001 0.000 0.296 169 G HA3 0.180 4.139 3.960 -0.001 0.000 0.296 169 G C -1.979 172.944 174.900 0.037 0.000 1.399 169 G CA -0.790 44.346 45.100 0.060 0.000 0.833 169 G HN 0.514 nan 8.290 nan 0.000 0.565 170 D N 0.331 120.752 120.400 0.036 0.000 2.363 170 D HA 0.341 4.981 4.640 -0.001 0.000 0.240 170 D C 1.299 177.594 176.300 -0.008 0.000 1.236 170 D CA -0.115 53.898 54.000 0.022 0.000 0.927 170 D CB 0.439 41.256 40.800 0.027 0.000 1.150 170 D HN 0.683 nan 8.370 nan 0.000 0.458 171 R N 0.846 121.343 120.500 -0.005 0.000 2.566 171 R HA -0.099 4.241 4.340 -0.001 0.000 0.273 171 R C -0.181 176.075 176.300 -0.073 0.000 0.981 171 R CA 0.051 56.137 56.100 -0.023 0.000 1.091 171 R CB -0.056 30.241 30.300 -0.005 0.000 0.924 171 R HN 0.261 nan 8.270 nan 0.000 0.411 172 Q N 0.150 119.890 119.800 -0.099 0.000 2.475 172 Q HA -0.164 4.176 4.340 -0.001 0.000 0.280 172 Q C 0.388 176.144 176.000 -0.405 0.000 1.234 172 Q CA 1.796 57.479 55.803 -0.201 0.000 0.873 172 Q CB -1.752 26.885 28.738 -0.168 0.000 1.256 172 Q HN 1.004 nan 8.270 nan 0.000 0.475 173 T N -5.137 109.253 114.554 -0.273 0.000 3.060 173 T HA 0.413 4.763 4.350 -0.001 0.000 0.249 173 T C 1.203 175.829 174.700 -0.123 0.000 1.079 173 T CA 0.818 62.753 62.100 -0.275 0.000 1.013 173 T CB 0.952 69.769 68.868 -0.086 0.000 0.975 173 T HN 0.820 nan 8.240 nan 0.000 0.518 174 G N 1.573 110.321 108.800 -0.088 0.000 2.141 174 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.164 174 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.164 174 G C 0.653 175.565 174.900 0.021 0.000 1.009 174 G CA 0.128 45.244 45.100 0.026 0.000 0.677 174 G HN 0.472 nan 8.290 nan 0.000 0.508 175 K N -0.300 120.103 120.400 0.005 0.000 1.984 175 K HA -0.037 4.282 4.320 -0.001 0.000 0.209 175 K C 2.546 179.165 176.600 0.033 0.000 1.046 175 K CA 1.824 58.118 56.287 0.012 0.000 0.934 175 K CB -0.372 32.129 32.500 0.002 0.000 0.717 175 K HN 0.262 nan 8.250 nan 0.000 0.438 176 T N 1.281 115.866 114.554 0.052 0.000 2.759 176 T HA -0.124 4.226 4.350 -0.001 0.000 0.269 176 T C 2.094 176.834 174.700 0.067 0.000 1.042 176 T CA 1.545 63.701 62.100 0.094 0.000 1.140 176 T CB -0.220 68.715 68.868 0.112 0.000 0.864 176 T HN 0.151 nan 8.240 nan 0.000 0.455 177 S N 1.105 116.828 115.700 0.038 0.000 2.383 177 S HA -0.031 4.439 4.470 -0.001 0.000 0.229 177 S C 2.009 176.608 174.600 -0.001 0.000 1.030 177 S CA 0.905 59.109 58.200 0.007 0.000 1.002 177 S CB -0.433 62.747 63.200 -0.034 0.000 0.829 177 S HN 0.449 nan 8.310 nan 0.000 0.467 178 I N 1.558 122.133 120.570 0.009 0.000 2.226 178 I HA -0.238 3.931 4.170 -0.001 0.000 0.245 178 I C 2.665 178.796 176.117 0.024 0.000 1.100 178 I CA 1.175 62.480 61.300 0.008 0.000 1.374 178 I CB -0.451 37.553 38.000 0.006 0.000 1.057 178 I HN 0.280 nan 8.210 nan 0.000 0.413 179 A N 0.904 123.751 122.820 0.046 0.000 1.898 179 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 179 A C 2.207 179.833 177.584 0.070 0.000 1.181 179 A CA 1.285 53.366 52.037 0.073 0.000 0.620 179 A CB -0.504 18.578 19.000 0.136 0.000 0.819 179 A HN 0.277 nan 8.150 nan 0.000 0.442 180 I N 0.573 121.173 120.570 0.050 0.000 2.202 180 I HA -0.174 3.996 4.170 -0.001 0.000 0.242 180 I C 1.795 177.945 176.117 0.055 0.000 1.091 180 I CA 1.513 62.828 61.300 0.025 0.000 1.368 180 I CB -1.604 36.410 38.000 0.024 0.000 1.058 180 I HN 0.242 nan 8.210 nan 0.000 0.410 181 D N 0.537 120.968 120.400 0.051 0.000 2.144 181 D HA -0.132 4.508 4.640 -0.001 0.000 0.199 181 D C 2.195 178.523 176.300 0.047 0.000 0.984 181 D CA 1.422 55.448 54.000 0.045 0.000 0.834 181 D CB -0.103 40.696 40.800 -0.002 0.000 0.955 181 D HN 0.265 nan 8.370 nan 0.000 0.465 182 T N 0.492 115.073 114.554 0.045 0.000 2.708 182 T HA -0.069 4.280 4.350 -0.001 0.000 0.266 182 T C 2.207 176.954 174.700 0.078 0.000 1.037 182 T CA 0.555 62.686 62.100 0.052 0.000 1.146 182 T CB -0.166 68.725 68.868 0.038 0.000 0.865 182 T HN 0.158 nan 8.240 nan 0.000 0.435 183 I N 0.613 121.237 120.570 0.091 0.000 2.179 183 I HA -0.144 4.025 4.170 -0.001 0.000 0.242 183 I C 2.268 178.511 176.117 0.209 0.000 1.088 183 I CA 1.365 62.755 61.300 0.150 0.000 1.357 183 I CB -0.372 37.692 38.000 0.106 0.000 1.051 183 I HN 0.199 nan 8.210 nan 0.000 0.409 184 I N 0.741 121.389 120.570 0.130 0.000 2.264 184 I HA -0.330 3.839 4.170 -0.001 0.000 0.248 184 I C 2.223 178.400 176.117 0.099 0.000 1.111 184 I CA 1.446 62.821 61.300 0.124 0.000 1.382 184 I CB -0.514 37.535 38.000 0.081 0.000 1.060 184 I HN 0.322 nan 8.210 nan 0.000 0.418 185 N N 0.544 119.280 118.700 0.060 0.000 2.289 185 N HA -0.205 4.535 4.740 -0.001 0.000 0.184 185 N C 1.778 177.242 175.510 -0.077 0.000 1.016 185 N CA 1.129 54.176 53.050 -0.006 0.000 0.872 185 N CB 0.048 38.558 38.487 0.038 0.000 0.973 185 N HN 0.241 nan 8.380 nan 0.000 0.433 186 Q N 0.318 120.116 119.800 -0.004 0.000 2.364 186 Q HA -0.086 4.254 4.340 -0.001 0.000 0.207 186 Q C 1.653 177.442 176.000 -0.352 0.000 0.970 186 Q CA 0.574 56.337 55.803 -0.067 0.000 0.888 186 Q CB -0.223 28.403 28.738 -0.187 0.000 0.951 186 Q HN 0.517 nan 8.270 nan 0.000 0.469 187 K N 1.637 121.887 120.400 -0.250 0.000 2.113 187 K HA -0.210 4.110 4.320 -0.001 0.000 0.208 187 K C 2.047 178.500 176.600 -0.244 0.000 1.047 187 K CA 1.560 57.750 56.287 -0.163 0.000 0.928 187 K CB 0.064 32.620 32.500 0.094 0.000 0.716 187 K HN 0.254 nan 8.250 nan 0.000 0.446 188 R N -0.602 119.660 120.500 -0.396 0.000 2.120 188 R HA -0.116 4.223 4.340 -0.001 0.000 0.234 188 R C 1.976 178.022 176.300 -0.423 0.000 1.123 188 R CA 1.712 57.539 56.100 -0.454 0.000 0.975 188 R CB -0.722 29.218 30.300 -0.600 0.000 0.866 188 R HN 0.160 nan 8.270 nan 0.000 0.446 189 F N 1.583 121.433 119.950 -0.165 0.000 2.149 189 F HA 0.058 4.585 4.527 -0.001 0.000 0.294 189 F C 1.997 177.675 175.800 -0.203 0.000 1.095 189 F CA 0.413 58.308 58.000 -0.176 0.000 1.276 189 F CB -0.371 38.507 39.000 -0.203 0.000 1.023 189 F HN -0.028 nan 8.300 nan 0.000 0.480 190 N N 0.232 118.847 118.700 -0.141 0.000 2.364 190 N HA -0.136 4.603 4.740 -0.001 0.000 0.183 190 N C 0.892 176.341 175.510 -0.101 0.000 1.022 190 N CA 1.157 54.072 53.050 -0.224 0.000 0.883 190 N CB -0.454 37.731 38.487 -0.503 0.000 0.965 190 N HN 0.283 nan 8.380 nan 0.000 0.438 191 D N -0.252 120.098 120.400 -0.083 0.000 2.349 191 D HA 0.082 4.722 4.640 -0.001 0.000 0.215 191 D C 1.239 177.523 176.300 -0.028 0.000 1.016 191 D CA 0.190 54.167 54.000 -0.039 0.000 0.870 191 D CB -0.021 40.752 40.800 -0.045 0.000 0.917 191 D HN 0.135 nan 8.370 nan 0.000 0.524 192 G N -0.093 108.692 108.800 -0.025 0.000 2.535 192 G HA2 0.283 4.243 3.960 -0.001 0.000 0.282 192 G HA3 0.283 4.243 3.960 -0.001 0.000 0.282 192 G C 0.971 175.877 174.900 0.009 0.000 1.350 192 G CA 0.295 45.393 45.100 -0.004 0.000 1.039 192 G HN 0.154 nan 8.290 nan 0.000 0.509 193 T N -3.020 111.543 114.554 0.014 0.000 3.010 193 T HA 0.130 4.479 4.350 -0.001 0.000 0.257 193 T C 0.375 175.088 174.700 0.021 0.000 1.020 193 T CA 0.045 62.155 62.100 0.018 0.000 0.938 193 T CB 0.324 69.200 68.868 0.013 0.000 1.049 193 T HN 0.331 nan 8.240 nan 0.000 0.522 194 D N 2.780 123.193 120.400 0.022 0.000 2.358 194 D HA 0.060 4.699 4.640 -0.001 0.000 0.258 194 D C 0.310 176.621 176.300 0.018 0.000 1.223 194 D CA -0.003 54.007 54.000 0.017 0.000 0.886 194 D CB 0.787 41.595 40.800 0.013 0.000 1.120 194 D HN 0.139 nan 8.370 nan 0.000 0.482 195 E N 3.676 123.892 120.200 0.025 0.000 2.303 195 E HA 0.013 4.362 4.350 -0.001 0.000 0.211 195 E C 0.603 177.237 176.600 0.056 0.000 1.223 195 E CA 0.108 56.535 56.400 0.045 0.000 1.344 195 E CB 0.441 30.169 29.700 0.047 0.000 1.299 195 E HN 0.531 nan 8.360 nan 0.000 0.441 196 K N -0.354 120.062 120.400 0.027 0.000 2.645 196 K HA 0.129 4.449 4.320 -0.001 0.000 0.203 196 K C 1.282 177.816 176.600 -0.111 0.000 1.653 196 K CA -0.072 56.226 56.287 0.018 0.000 1.138 196 K CB 0.632 33.123 32.500 -0.014 0.000 1.515 196 K HN -0.130 nan 8.250 nan 0.000 0.592 197 K N 1.274 121.592 120.400 -0.137 0.000 2.305 197 K HA 0.059 4.379 4.320 -0.001 0.000 0.199 197 K C 0.229 176.662 176.600 -0.278 0.000 1.047 197 K CA 0.522 56.634 56.287 -0.293 0.000 0.976 197 K CB 0.295 32.643 32.500 -0.254 0.000 0.765 197 K HN 0.013 nan 8.250 nan 0.000 0.474 198 K N 0.830 121.155 120.400 -0.124 0.000 2.234 198 K HA 0.131 4.450 4.320 -0.001 0.000 0.251 198 K C -0.455 176.019 176.600 -0.210 0.000 1.011 198 K CA 0.036 56.215 56.287 -0.180 0.000 0.889 198 K CB 0.354 32.725 32.500 -0.214 0.000 1.011 198 K HN -0.149 nan 8.250 nan 0.000 0.505 199 L N 1.817 122.805 121.223 -0.392 0.000 2.849 199 L HA 0.219 4.558 4.340 -0.001 0.000 0.256 199 L C -1.922 174.683 176.870 -0.441 0.000 0.951 199 L CA -0.171 54.491 54.840 -0.297 0.000 1.003 199 L CB 0.712 42.652 42.059 -0.199 0.000 1.408 199 L HN 0.468 nan 8.230 nan 0.000 0.463 200 Y N 3.066 123.219 120.300 -0.244 0.000 2.304 200 Y HA 0.537 5.087 4.550 -0.001 0.000 0.328 200 Y C 0.554 176.331 175.900 -0.205 0.000 1.123 200 Y CA -0.057 57.855 58.100 -0.312 0.000 1.218 200 Y CB 1.087 39.010 38.460 -0.895 0.000 1.207 200 Y HN 0.521 nan 8.280 nan 0.000 0.495 201 C N 4.548 123.917 119.300 0.115 0.000 2.411 201 C HA 0.712 5.171 4.460 -0.001 0.000 0.330 201 C C -0.124 174.913 174.990 0.078 0.000 1.224 201 C CA -1.124 57.952 59.018 0.097 0.000 1.770 201 C CB 0.075 27.920 27.740 0.176 0.000 2.297 201 C HN 0.644 nan 8.230 nan 0.000 0.507 202 I N 2.333 122.929 120.570 0.044 0.000 2.478 202 I HA 0.263 4.432 4.170 -0.001 0.000 0.287 202 I C -1.077 175.056 176.117 0.027 0.000 1.042 202 I CA -0.403 60.923 61.300 0.042 0.000 1.067 202 I CB 1.077 39.089 38.000 0.019 0.000 1.233 202 I HN 0.622 nan 8.210 nan 0.000 0.431 203 Y N 7.167 127.436 120.300 -0.051 0.000 2.342 203 Y HA 0.612 5.162 4.550 -0.000 0.000 0.338 203 Y C -0.796 175.078 175.900 -0.043 0.000 0.965 203 Y CA -0.731 57.332 58.100 -0.061 0.000 1.159 203 Y CB 1.189 39.627 38.460 -0.036 0.000 1.157 203 Y HN 0.266 nan 8.280 nan 0.000 0.486 204 V N 6.479 126.098 119.914 -0.491 0.000 2.350 204 V HA 0.621 4.741 4.120 -0.001 0.000 0.276 204 V C 0.067 175.883 176.094 -0.464 0.000 1.028 204 V CA -0.680 61.433 62.300 -0.312 0.000 0.860 204 V CB 0.718 32.475 31.823 -0.111 0.000 0.990 204 V HN 0.921 nan 8.190 nan 0.000 0.453 205 A N 6.774 129.462 122.820 -0.221 0.000 2.252 205 A HA 0.838 5.158 4.320 -0.001 0.000 0.309 205 A C -0.608 176.955 177.584 -0.035 0.000 1.285 205 A CA -0.295 51.684 52.037 -0.097 0.000 0.900 205 A CB 0.035 19.103 19.000 0.114 0.000 1.157 205 A HN 0.755 nan 8.150 nan 0.000 0.536 206 I N 2.090 122.639 120.570 -0.035 0.000 2.410 206 I HA 0.558 4.728 4.170 -0.001 0.000 0.286 206 I C 1.109 177.235 176.117 0.015 0.000 1.009 206 I CA 0.473 61.769 61.300 -0.006 0.000 1.111 206 I CB 1.761 39.753 38.000 -0.014 0.000 1.262 206 I HN 0.976 nan 8.210 nan 0.000 0.443 207 G N 3.603 112.419 108.800 0.025 0.000 2.162 207 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.260 207 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.260 207 G C 0.309 175.230 174.900 0.034 0.000 0.976 207 G CA -0.152 44.967 45.100 0.031 0.000 0.655 207 G HN 0.591 nan 8.290 nan 0.000 0.533 208 Q N 0.149 119.972 119.800 0.040 0.000 2.396 208 Q HA 0.460 4.800 4.340 -0.001 0.000 0.221 208 Q C 0.765 176.790 176.000 0.042 0.000 1.025 208 Q CA 0.082 55.913 55.803 0.047 0.000 0.946 208 Q CB 0.539 29.319 28.738 0.069 0.000 1.224 208 Q HN 0.640 nan 8.270 nan 0.000 0.539 209 K N 0.107 120.531 120.400 0.040 0.000 2.185 209 K HA 0.228 4.547 4.320 -0.001 0.000 0.271 209 K C 0.383 177.004 176.600 0.035 0.000 1.013 209 K CA -0.518 55.789 56.287 0.033 0.000 0.943 209 K CB 1.119 33.636 32.500 0.027 0.000 0.998 209 K HN 0.408 nan 8.250 nan 0.000 0.468 210 R N 0.716 121.234 120.500 0.030 0.000 2.117 210 R HA -0.179 4.160 4.340 -0.001 0.000 0.243 210 R C 2.242 178.557 176.300 0.024 0.000 1.143 210 R CA 2.225 58.342 56.100 0.029 0.000 0.968 210 R CB -0.425 29.890 30.300 0.024 0.000 0.863 210 R HN 0.940 nan 8.270 nan 0.000 0.444 211 S N -0.390 115.322 115.700 0.020 0.000 2.402 211 S HA -0.103 4.366 4.470 -0.001 0.000 0.229 211 S C 1.928 176.537 174.600 0.015 0.000 1.021 211 S CA 1.550 59.759 58.200 0.014 0.000 0.974 211 S CB -0.352 62.856 63.200 0.013 0.000 0.800 211 S HN 0.185 nan 8.310 nan 0.000 0.484 212 T N 2.476 117.044 114.554 0.023 0.000 2.708 212 T HA -0.018 4.331 4.350 -0.001 0.000 0.266 212 T C 1.910 176.625 174.700 0.025 0.000 1.037 212 T CA 1.492 63.608 62.100 0.027 0.000 1.146 212 T CB -0.563 68.329 68.868 0.040 0.000 0.865 212 T HN 0.309 nan 8.240 nan 0.000 0.435 213 V N 1.788 121.725 119.914 0.039 0.000 2.407 213 V HA -0.157 3.962 4.120 -0.001 0.000 0.248 213 V C 2.876 178.972 176.094 0.004 0.000 1.055 213 V CA 1.608 63.933 62.300 0.042 0.000 1.049 213 V CB -1.256 30.610 31.823 0.072 0.000 0.662 213 V HN 0.515 nan 8.190 nan 0.000 0.455 214 A N -0.785 122.036 122.820 0.003 0.000 1.902 214 A HA -0.247 4.073 4.320 -0.001 0.000 0.217 214 A C 2.221 179.788 177.584 -0.028 0.000 1.181 214 A CA 1.629 53.659 52.037 -0.011 0.000 0.623 214 A CB -0.457 18.540 19.000 -0.005 0.000 0.818 214 A HN 0.516 nan 8.150 nan 0.000 0.443 215 Q N -0.727 119.058 119.800 -0.025 0.000 2.084 215 Q HA -0.120 4.220 4.340 -0.001 0.000 0.202 215 Q C 2.135 178.096 176.000 -0.065 0.000 0.978 215 Q CA 0.928 56.708 55.803 -0.038 0.000 0.844 215 Q CB -0.529 28.197 28.738 -0.020 0.000 0.898 215 Q HN 0.602 nan 8.270 nan 0.000 0.426 216 L N 1.075 122.255 121.223 -0.072 0.000 2.017 216 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 216 L C 2.440 179.218 176.870 -0.153 0.000 1.073 216 L CA 1.885 56.644 54.840 -0.134 0.000 0.745 216 L CB -0.982 40.969 42.059 -0.180 0.000 0.894 216 L HN 0.185 nan 8.230 nan 0.000 0.432 217 V N -2.066 117.780 119.914 -0.115 0.000 2.515 217 V HA -0.201 3.918 4.120 -0.001 0.000 0.250 217 V C 2.620 178.655 176.094 -0.099 0.000 1.058 217 V CA 1.733 63.970 62.300 -0.105 0.000 1.064 217 V CB -0.861 30.924 31.823 -0.064 0.000 0.675 217 V HN 0.314 nan 8.190 nan 0.000 0.461 218 K N 1.512 121.859 120.400 -0.089 0.000 2.032 218 K HA -0.206 4.114 4.320 -0.001 0.000 0.209 218 K C 2.342 178.871 176.600 -0.118 0.000 1.048 218 K CA 2.184 58.418 56.287 -0.089 0.000 0.927 218 K CB -0.583 31.871 32.500 -0.077 0.000 0.712 218 K HN 0.447 nan 8.250 nan 0.000 0.441 219 R N 0.658 121.073 120.500 -0.141 0.000 2.096 219 R HA -0.049 4.290 4.340 -0.001 0.000 0.240 219 R C 2.109 178.313 176.300 -0.160 0.000 1.139 219 R CA 1.924 57.912 56.100 -0.186 0.000 0.952 219 R CB -0.809 29.372 30.300 -0.198 0.000 0.854 219 R HN 0.369 nan 8.270 nan 0.000 0.436 220 L N -0.505 120.629 121.223 -0.149 0.000 2.141 220 L HA -0.111 4.229 4.340 -0.001 0.000 0.209 220 L C 2.157 178.940 176.870 -0.146 0.000 1.094 220 L CA 1.760 56.509 54.840 -0.152 0.000 0.763 220 L CB -0.597 41.358 42.059 -0.175 0.000 0.908 220 L HN 0.296 nan 8.230 nan 0.000 0.437 221 T N -1.165 113.314 114.554 -0.125 0.000 2.737 221 T HA -0.148 4.202 4.350 -0.001 0.000 0.265 221 T C 1.424 176.068 174.700 -0.093 0.000 1.038 221 T CA 1.312 63.350 62.100 -0.104 0.000 1.144 221 T CB -0.207 68.612 68.868 -0.083 0.000 0.866 221 T HN 0.278 nan 8.240 nan 0.000 0.434 222 D N 1.578 121.919 120.400 -0.099 0.000 2.219 222 D HA 0.037 4.677 4.640 -0.001 0.000 0.205 222 D C 2.018 178.268 176.300 -0.084 0.000 0.970 222 D CA 0.851 54.796 54.000 -0.090 0.000 0.851 222 D CB -0.282 40.453 40.800 -0.108 0.000 0.943 222 D HN 0.427 nan 8.370 nan 0.000 0.488 223 A N 0.309 123.074 122.820 -0.092 0.000 2.238 223 A HA -0.008 4.312 4.320 -0.001 0.000 0.208 223 A C 0.511 178.064 177.584 -0.052 0.000 1.177 223 A CA 0.486 52.483 52.037 -0.066 0.000 0.804 223 A CB -0.007 18.959 19.000 -0.058 0.000 0.823 223 A HN 0.048 nan 8.150 nan 0.000 0.482 224 D N -2.991 117.366 120.400 -0.072 0.000 2.800 224 D HA -0.202 4.437 4.640 -0.001 0.000 0.232 224 D C 0.740 176.965 176.300 -0.125 0.000 1.137 224 D CA 1.052 55.012 54.000 -0.068 0.000 0.718 224 D CB -1.272 39.517 40.800 -0.019 0.000 1.084 224 D HN 0.511 nan 8.370 nan 0.000 0.432 225 A N -0.700 121.972 122.820 -0.246 0.000 2.140 225 A HA 0.132 4.451 4.320 -0.001 0.000 0.209 225 A C 2.090 179.201 177.584 -0.789 0.000 1.181 225 A CA 0.469 52.146 52.037 -0.600 0.000 0.824 225 A CB -0.003 18.796 19.000 -0.335 0.000 0.879 225 A HN 0.277 nan 8.150 nan 0.000 0.480 226 M N 1.232 120.599 119.600 -0.390 0.000 2.202 226 M HA -0.169 4.311 4.480 -0.001 0.000 0.262 226 M C 1.999 178.160 176.300 -0.232 0.000 1.063 226 M CA 1.894 57.034 55.300 -0.267 0.000 1.097 226 M CB -1.004 31.508 32.600 -0.147 0.000 1.382 226 M HN 0.703 nan 8.290 nan 0.000 0.413 227 K N 0.323 120.591 120.400 -0.219 0.000 2.281 227 K HA -0.182 4.137 4.320 -0.001 0.000 0.203 227 K C 0.988 177.628 176.600 0.067 0.000 1.046 227 K CA 1.664 57.923 56.287 -0.048 0.000 0.938 227 K CB -0.652 31.861 32.500 0.021 0.000 0.737 227 K HN 0.515 nan 8.250 nan 0.000 0.458 228 Y N -0.583 119.754 120.300 0.062 0.000 2.660 228 Y HA 0.460 5.010 4.550 -0.001 0.000 0.254 228 Y C -0.582 175.372 175.900 0.090 0.000 1.176 228 Y CA -1.080 57.081 58.100 0.102 0.000 1.195 228 Y CB 0.091 38.540 38.460 -0.018 0.000 1.190 228 Y HN -0.214 nan 8.280 nan 0.000 0.535 229 T N 2.704 117.235 114.554 -0.039 0.000 2.841 229 T HA 0.587 4.937 4.350 -0.001 0.000 0.283 229 T C -0.538 174.186 174.700 0.040 0.000 1.000 229 T CA -0.417 61.681 62.100 -0.004 0.000 0.977 229 T CB 1.849 70.640 68.868 -0.130 0.000 0.979 229 T HN 0.139 nan 8.240 nan 0.000 0.446 230 I N 2.556 123.176 120.570 0.083 0.000 2.354 230 I HA 0.406 4.576 4.170 -0.001 0.000 0.292 230 I C -0.377 175.794 176.117 0.089 0.000 0.989 230 I CA -1.003 60.348 61.300 0.085 0.000 1.188 230 I CB 1.542 39.611 38.000 0.114 0.000 1.342 230 I HN 0.249 nan 8.210 nan 0.000 0.457 231 V N 7.451 127.414 119.914 0.081 0.000 2.350 231 V HA 0.295 4.415 4.120 -0.001 0.000 0.276 231 V C 0.054 176.204 176.094 0.093 0.000 1.028 231 V CA -0.599 61.772 62.300 0.119 0.000 0.860 231 V CB 1.528 33.416 31.823 0.108 0.000 0.990 231 V HN 0.406 nan 8.190 nan 0.000 0.453 232 V N 4.212 124.177 119.914 0.086 0.000 2.370 232 V HA 0.566 4.686 4.120 -0.001 0.000 0.283 232 V C 0.129 176.254 176.094 0.051 0.000 1.023 232 V CA -0.129 62.205 62.300 0.057 0.000 0.857 232 V CB 1.679 33.528 31.823 0.043 0.000 0.985 232 V HN 0.829 nan 8.190 nan 0.000 0.443 233 S N 3.727 119.460 115.700 0.054 0.000 2.647 233 S HA 0.784 5.253 4.470 -0.001 0.000 0.300 233 S C -0.433 174.192 174.600 0.042 0.000 1.129 233 S CA -0.172 58.060 58.200 0.054 0.000 1.029 233 S CB 1.270 64.513 63.200 0.072 0.000 1.007 233 S HN 1.091 nan 8.310 nan 0.000 0.484 234 A N 4.166 127.006 122.820 0.033 0.000 2.431 234 A HA 0.641 4.961 4.320 -0.001 0.000 0.318 234 A C 0.412 178.013 177.584 0.028 0.000 1.330 234 A CA -0.620 51.434 52.037 0.029 0.000 0.804 234 A CB 0.158 19.171 19.000 0.022 0.000 1.135 234 A HN 0.834 nan 8.150 nan 0.000 0.483 235 T N -0.888 113.684 114.554 0.031 0.000 2.814 235 T HA 0.560 4.910 4.350 -0.001 0.000 0.284 235 T C 1.587 176.302 174.700 0.026 0.000 0.998 235 T CA 0.054 62.173 62.100 0.032 0.000 0.935 235 T CB 0.955 69.844 68.868 0.034 0.000 1.167 235 T HN 1.060 nan 8.240 nan 0.000 0.545 236 A N 0.732 123.567 122.820 0.026 0.000 1.978 236 A HA -0.068 4.252 4.320 -0.001 0.000 0.220 236 A C 2.452 180.046 177.584 0.016 0.000 1.170 236 A CA 2.086 54.137 52.037 0.022 0.000 0.636 236 A CB -1.376 17.638 19.000 0.023 0.000 0.810 236 A HN 1.098 nan 8.150 nan 0.000 0.448 237 S N -0.704 115.006 115.700 0.016 0.000 2.575 237 S HA 0.081 4.551 4.470 -0.001 0.000 0.215 237 S C -0.144 174.462 174.600 0.010 0.000 0.966 237 S CA -0.163 58.044 58.200 0.012 0.000 0.911 237 S CB -0.256 62.951 63.200 0.013 0.000 0.780 237 S HN 0.371 nan 8.310 nan 0.000 0.514 238 D N 2.980 123.386 120.400 0.011 0.000 2.389 238 D HA 0.542 5.181 4.640 -0.001 0.000 0.247 238 D C 0.342 176.636 176.300 -0.010 0.000 1.128 238 D CA 0.185 54.188 54.000 0.006 0.000 0.884 238 D CB 1.239 42.045 40.800 0.011 0.000 1.194 238 D HN 0.445 nan 8.370 nan 0.000 0.441 239 A N 1.863 124.668 122.820 -0.024 0.000 2.520 239 A HA 0.327 4.646 4.320 -0.001 0.000 0.235 239 A C 1.540 179.078 177.584 -0.077 0.000 1.065 239 A CA 0.403 52.411 52.037 -0.049 0.000 0.764 239 A CB 0.163 19.128 19.000 -0.058 0.000 1.002 239 A HN 0.651 nan 8.150 nan 0.000 0.502 240 A N 3.338 126.122 122.820 -0.060 0.000 1.927 240 A HA -0.130 4.189 4.320 -0.001 0.000 0.220 240 A C -0.122 177.435 177.584 -0.045 0.000 1.185 240 A CA 2.281 54.296 52.037 -0.037 0.000 0.639 240 A CB -1.749 17.231 19.000 -0.034 0.000 0.820 240 A HN 0.661 nan 8.150 nan 0.000 0.451 241 P HA -0.093 nan 4.420 nan 0.000 0.218 241 P C 1.431 178.580 177.300 -0.252 0.000 1.149 241 P CA 0.768 63.726 63.100 -0.236 0.000 0.817 241 P CB -0.155 31.109 31.700 -0.727 0.000 0.785 242 L N -0.840 120.176 121.223 -0.345 0.000 2.056 242 L HA -0.197 4.143 4.340 -0.001 0.000 0.207 242 L C 2.684 179.542 176.870 -0.021 0.000 1.078 242 L CA 1.589 56.334 54.840 -0.158 0.000 0.749 242 L CB -0.988 41.014 42.059 -0.096 0.000 0.901 242 L HN -0.002 nan 8.230 nan 0.000 0.433 243 Q N -1.063 118.741 119.800 0.006 0.000 2.084 243 Q HA -0.260 4.079 4.340 -0.001 0.000 0.202 243 Q C 2.139 178.195 176.000 0.092 0.000 0.978 243 Q CA 1.886 57.716 55.803 0.044 0.000 0.844 243 Q CB -0.356 28.412 28.738 0.049 0.000 0.898 243 Q HN 0.486 nan 8.270 nan 0.000 0.426 244 Y N 1.217 121.526 120.300 0.014 0.000 2.165 244 Y HA -0.225 4.324 4.550 -0.001 0.000 0.286 244 Y C 1.688 177.673 175.900 0.141 0.000 1.155 244 Y CA 1.423 59.568 58.100 0.076 0.000 1.164 244 Y CB -0.232 38.296 38.460 0.114 0.000 0.978 244 Y HN 0.007 nan 8.280 nan 0.000 0.513 245 L N -0.424 120.733 121.223 -0.110 0.000 2.179 245 L HA -0.040 4.300 4.340 -0.001 0.000 0.208 245 L C 2.801 179.673 176.870 0.003 0.000 1.096 245 L CA 0.745 55.519 54.840 -0.109 0.000 0.779 245 L CB -0.947 41.122 42.059 0.017 0.000 0.922 245 L HN 0.353 nan 8.230 nan 0.000 0.443 246 A N 1.151 123.967 122.820 -0.006 0.000 1.903 246 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 246 A C -0.131 177.446 177.584 -0.012 0.000 1.191 246 A CA 2.075 54.115 52.037 0.006 0.000 0.638 246 A CB -1.857 17.147 19.000 0.006 0.000 0.823 246 A HN 0.284 nan 8.150 nan 0.000 0.451 247 P HA -0.149 nan 4.420 nan 0.000 0.215 247 P C 0.983 178.180 177.300 -0.171 0.000 1.157 247 P CA 1.330 64.323 63.100 -0.178 0.000 0.868 247 P CB -0.243 31.073 31.700 -0.640 0.000 0.788 248 Y N -0.316 119.905 120.300 -0.132 0.000 2.181 248 Y HA -0.162 4.388 4.550 -0.001 0.000 0.288 248 Y C 2.663 178.546 175.900 -0.029 0.000 1.146 248 Y CA 1.396 59.429 58.100 -0.111 0.000 1.164 248 Y CB -1.259 37.078 38.460 -0.204 0.000 0.982 248 Y HN -0.082 nan 8.280 nan 0.000 0.515 249 S N -0.100 115.678 115.700 0.129 0.000 2.359 249 S HA -0.199 4.271 4.470 -0.001 0.000 0.224 249 S C 2.390 177.045 174.600 0.092 0.000 1.035 249 S CA 1.275 59.531 58.200 0.093 0.000 1.018 249 S CB -1.038 62.207 63.200 0.076 0.000 0.876 249 S HN 0.679 nan 8.310 nan 0.000 0.448 250 G N 0.054 108.912 108.800 0.096 0.000 2.418 250 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.217 250 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.217 250 G C 1.719 176.690 174.900 0.119 0.000 1.158 250 G CA 1.022 46.180 45.100 0.096 0.000 0.771 250 G HN 0.580 nan 8.290 nan 0.000 0.545 251 C N 0.688 120.087 119.300 0.165 0.000 2.413 251 C HA -0.067 4.392 4.460 -0.001 0.000 0.276 251 C C 3.300 178.372 174.990 0.136 0.000 1.236 251 C CA 1.830 60.950 59.018 0.169 0.000 1.735 251 C CB -0.970 26.872 27.740 0.170 0.000 2.031 251 C HN 0.375 nan 8.230 nan 0.000 0.474 252 S N 0.328 116.100 115.700 0.120 0.000 2.400 252 S HA -0.176 4.293 4.470 -0.001 0.000 0.232 252 S C 1.696 176.365 174.600 0.115 0.000 1.025 252 S CA 1.976 60.237 58.200 0.102 0.000 0.993 252 S CB -0.363 62.883 63.200 0.077 0.000 0.808 252 S HN 0.659 nan 8.310 nan 0.000 0.478 253 M N 0.772 120.445 119.600 0.122 0.000 2.175 253 M HA -0.026 4.453 4.480 -0.001 0.000 0.264 253 M C 2.484 178.957 176.300 0.288 0.000 1.063 253 M CA 1.460 56.849 55.300 0.148 0.000 1.119 253 M CB -0.723 31.958 32.600 0.135 0.000 1.377 253 M HN 0.443 nan 8.290 nan 0.000 0.415 254 G N -0.100 108.861 108.800 0.269 0.000 2.421 254 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.217 254 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.217 254 G C 1.317 176.399 174.900 0.304 0.000 1.143 254 G CA 0.430 45.731 45.100 0.335 0.000 0.784 254 G HN 0.473 nan 8.290 nan 0.000 0.541 255 E N -0.618 119.699 120.200 0.194 0.000 2.204 255 E HA -0.145 4.204 4.350 -0.001 0.000 0.195 255 E C 1.895 178.553 176.600 0.097 0.000 0.990 255 E CA 0.574 57.050 56.400 0.127 0.000 0.821 255 E CB -0.203 29.553 29.700 0.094 0.000 0.750 255 E HN 0.631 nan 8.360 nan 0.000 0.477 256 Y N 0.374 120.659 120.300 -0.026 0.000 2.165 256 Y HA -0.270 4.279 4.550 -0.001 0.000 0.286 256 Y C 1.627 177.386 175.900 -0.234 0.000 1.155 256 Y CA 1.637 59.626 58.100 -0.185 0.000 1.164 256 Y CB -0.308 37.940 38.460 -0.353 0.000 0.978 256 Y HN -0.058 nan 8.280 nan 0.000 0.513 257 F N 0.051 119.950 119.950 -0.086 0.000 2.163 257 F HA -0.063 4.464 4.527 -0.001 0.000 0.297 257 F C 2.774 178.467 175.800 -0.178 0.000 1.094 257 F CA 1.640 59.531 58.000 -0.182 0.000 1.290 257 F CB -0.682 38.320 39.000 0.002 0.000 1.017 257 F HN -0.117 nan 8.300 nan 0.000 0.483 258 R N 0.668 121.226 120.500 0.096 0.000 2.103 258 R HA -0.188 4.151 4.340 -0.001 0.000 0.242 258 R C 1.084 177.357 176.300 -0.046 0.000 1.142 258 R CA 2.113 58.223 56.100 0.017 0.000 0.960 258 R CB -0.418 29.911 30.300 0.048 0.000 0.858 258 R HN 0.190 nan 8.270 nan 0.000 0.439 259 D N -0.325 120.027 120.400 -0.081 0.000 2.340 259 D HA -0.013 4.626 4.640 -0.001 0.000 0.220 259 D C -0.005 176.208 176.300 -0.145 0.000 1.039 259 D CA 0.556 54.510 54.000 -0.077 0.000 0.866 259 D CB 0.132 40.902 40.800 -0.050 0.000 0.913 259 D HN 0.254 nan 8.370 nan 0.000 0.523 260 N N -0.612 117.942 118.700 -0.243 0.000 2.338 260 N HA 0.278 5.018 4.740 -0.001 0.000 0.251 260 N C 0.810 176.216 175.510 -0.174 0.000 1.199 260 N CA 0.097 52.987 53.050 -0.267 0.000 0.879 260 N CB 1.276 39.457 38.487 -0.509 0.000 1.159 260 N HN 0.004 nan 8.380 nan 0.000 0.514 261 G N 0.161 108.881 108.800 -0.134 0.000 2.153 261 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.252 261 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.252 261 G C 0.059 174.851 174.900 -0.180 0.000 0.994 261 G CA 0.335 45.360 45.100 -0.126 0.000 0.698 261 G HN 0.335 nan 8.290 nan 0.000 0.521 262 K N -0.500 119.798 120.400 -0.170 0.000 2.313 262 K HA 0.666 4.985 4.320 -0.001 0.000 0.235 262 K C -0.458 175.995 176.600 -0.244 0.000 1.035 262 K CA -1.009 55.217 56.287 -0.101 0.000 0.868 262 K CB 1.142 33.767 32.500 0.208 0.000 1.232 262 K HN 0.295 nan 8.250 nan 0.000 0.459 263 H N -0.170 118.997 119.070 0.162 0.000 2.505 263 H HA 0.513 5.068 4.556 -0.001 0.000 0.338 263 H C -1.003 174.356 175.328 0.052 0.000 1.057 263 H CA -0.696 55.396 56.048 0.074 0.000 1.202 263 H CB 1.901 31.659 29.762 -0.008 0.000 1.466 263 H HN 0.664 nan 8.280 nan 0.000 0.499 264 A N 3.150 126.045 122.820 0.125 0.000 2.401 264 A HA 0.534 4.854 4.320 -0.001 0.000 0.310 264 A C -1.281 176.312 177.584 0.015 0.000 1.075 264 A CA -0.695 51.353 52.037 0.018 0.000 0.746 264 A CB 1.829 20.849 19.000 0.033 0.000 1.277 264 A HN 0.468 nan 8.150 nan 0.000 0.425 265 L N 2.150 123.361 121.223 -0.020 0.000 2.333 265 L HA 0.767 5.106 4.340 -0.001 0.000 0.280 265 L C -1.031 175.799 176.870 -0.067 0.000 1.004 265 L CA -0.410 54.410 54.840 -0.034 0.000 0.820 265 L CB 1.168 43.213 42.059 -0.023 0.000 1.247 265 L HN 0.673 nan 8.230 nan 0.000 0.416 266 I N 5.160 125.644 120.570 -0.144 0.000 2.433 266 I HA 0.535 4.704 4.170 -0.001 0.000 0.292 266 I C -1.151 174.699 176.117 -0.445 0.000 1.001 266 I CA -0.566 60.550 61.300 -0.308 0.000 1.119 266 I CB 1.437 39.181 38.000 -0.426 0.000 1.289 266 I HN 0.609 nan 8.210 nan 0.000 0.438 267 I N 7.867 128.178 120.570 -0.431 0.000 2.378 267 I HA 0.266 4.435 4.170 -0.001 0.000 0.291 267 I C -1.153 174.613 176.117 -0.585 0.000 0.992 267 I CA -0.070 60.993 61.300 -0.395 0.000 1.154 267 I CB 1.268 39.191 38.000 -0.129 0.000 1.315 267 I HN 0.346 nan 8.210 nan 0.000 0.448 268 Y N 4.075 124.240 120.300 -0.225 0.000 2.593 268 Y HA 0.371 4.921 4.550 -0.000 0.000 0.331 268 Y C -0.115 175.631 175.900 -0.257 0.000 0.986 268 Y CA -0.723 57.220 58.100 -0.263 0.000 1.262 268 Y CB 0.783 39.096 38.460 -0.244 0.000 1.098 268 Y HN 0.405 nan 8.280 nan 0.000 0.506 269 D N 3.794 124.066 120.400 -0.213 0.000 2.462 269 D HA 0.176 4.815 4.640 -0.001 0.000 0.249 269 D C -1.211 175.031 176.300 -0.097 0.000 1.117 269 D CA -0.368 53.532 54.000 -0.166 0.000 0.900 269 D CB 0.311 40.968 40.800 -0.237 0.000 1.039 269 D HN 0.679 nan 8.370 nan 0.000 0.516 270 D N 0.357 120.728 120.400 -0.047 0.000 2.523 270 D HA 0.238 4.877 4.640 -0.001 0.000 0.236 270 D C 0.904 177.169 176.300 -0.058 0.000 1.094 270 D CA -0.745 53.226 54.000 -0.048 0.000 0.942 270 D CB 1.132 41.915 40.800 -0.029 0.000 1.447 270 D HN 0.069 nan 8.370 nan 0.000 0.479 271 L N 0.255 121.410 121.223 -0.115 0.000 2.395 271 L HA -0.024 4.315 4.340 -0.001 0.000 0.218 271 L C 1.788 178.632 176.870 -0.042 0.000 1.130 271 L CA 0.474 55.206 54.840 -0.181 0.000 0.826 271 L CB -0.353 41.386 42.059 -0.533 0.000 0.941 271 L HN 0.435 nan 8.230 nan 0.000 0.451 272 S N 0.266 115.950 115.700 -0.026 0.000 2.356 272 S HA -0.187 4.283 4.470 -0.001 0.000 0.223 272 S C 1.948 176.601 174.600 0.088 0.000 1.032 272 S CA 1.357 59.581 58.200 0.039 0.000 1.005 272 S CB -0.065 63.154 63.200 0.032 0.000 0.867 272 S HN 0.385 nan 8.310 nan 0.000 0.449 273 K N 0.940 121.377 120.400 0.062 0.000 2.097 273 K HA -0.069 4.251 4.320 -0.001 0.000 0.205 273 K C 2.465 179.122 176.600 0.095 0.000 1.050 273 K CA 0.831 57.162 56.287 0.074 0.000 0.938 273 K CB -0.156 32.373 32.500 0.047 0.000 0.718 273 K HN 0.341 nan 8.250 nan 0.000 0.442 274 Q N 0.613 120.466 119.800 0.088 0.000 2.096 274 Q HA -0.177 4.162 4.340 -0.001 0.000 0.204 274 Q C 2.027 178.137 176.000 0.184 0.000 0.982 274 Q CA 1.657 57.531 55.803 0.118 0.000 0.850 274 Q CB -0.080 28.700 28.738 0.070 0.000 0.901 274 Q HN 0.333 nan 8.270 nan 0.000 0.422 275 A N -0.114 122.822 122.820 0.193 0.000 1.933 275 A HA -0.119 4.200 4.320 -0.001 0.000 0.218 275 A C 2.212 180.020 177.584 0.372 0.000 1.175 275 A CA 1.394 53.557 52.037 0.211 0.000 0.628 275 A CB -0.624 18.420 19.000 0.074 0.000 0.814 275 A HN 0.294 nan 8.150 nan 0.000 0.444 276 V N -0.143 119.948 119.914 0.294 0.000 2.343 276 V HA -0.263 3.856 4.120 -0.001 0.000 0.247 276 V C 3.055 179.223 176.094 0.124 0.000 1.051 276 V CA 1.959 64.382 62.300 0.204 0.000 1.036 276 V CB -1.193 30.712 31.823 0.137 0.000 0.654 276 V HN 0.620 nan 8.190 nan 0.000 0.451 277 A N -1.045 121.856 122.820 0.135 0.000 1.902 277 A HA -0.272 4.048 4.320 -0.001 0.000 0.217 277 A C 2.173 179.819 177.584 0.104 0.000 1.181 277 A CA 2.073 54.171 52.037 0.102 0.000 0.623 277 A CB -0.788 18.284 19.000 0.120 0.000 0.818 277 A HN 0.604 nan 8.150 nan 0.000 0.443 278 Y N 0.354 120.672 120.300 0.031 0.000 2.224 278 Y HA -0.179 4.370 4.550 -0.001 0.000 0.289 278 Y C 2.520 178.396 175.900 -0.040 0.000 1.146 278 Y CA 1.957 60.027 58.100 -0.051 0.000 1.182 278 Y CB -0.352 38.109 38.460 0.001 0.000 0.983 278 Y HN 0.341 nan 8.280 nan 0.000 0.524 279 R N 0.219 120.739 120.500 0.033 0.000 2.081 279 R HA -0.244 4.095 4.340 -0.001 0.000 0.235 279 R C 2.441 178.640 176.300 -0.167 0.000 1.131 279 R CA 1.879 57.918 56.100 -0.102 0.000 0.960 279 R CB -0.415 29.771 30.300 -0.191 0.000 0.856 279 R HN 0.538 nan 8.270 nan 0.000 0.436 280 Q N 0.275 120.006 119.800 -0.115 0.000 2.061 280 Q HA -0.237 4.103 4.340 -0.001 0.000 0.204 280 Q C 2.062 177.977 176.000 -0.141 0.000 0.984 280 Q CA 2.303 58.041 55.803 -0.108 0.000 0.846 280 Q CB -0.081 28.618 28.738 -0.065 0.000 0.902 280 Q HN 0.422 nan 8.270 nan 0.000 0.421 281 M N -0.258 119.227 119.600 -0.191 0.000 2.086 281 M HA -0.154 4.325 4.480 -0.001 0.000 0.261 281 M C 2.397 178.537 176.300 -0.266 0.000 1.067 281 M CA 1.641 56.805 55.300 -0.226 0.000 1.116 281 M CB -0.079 32.344 32.600 -0.295 0.000 1.348 281 M HN 0.101 nan 8.290 nan 0.000 0.407 282 S N 0.824 116.288 115.700 -0.393 0.000 2.356 282 S HA -0.088 4.382 4.470 -0.001 0.000 0.223 282 S C 1.898 176.389 174.600 -0.183 0.000 1.032 282 S CA 1.228 59.225 58.200 -0.338 0.000 1.005 282 S CB -0.518 62.435 63.200 -0.411 0.000 0.867 282 S HN 0.367 nan 8.310 nan 0.000 0.449 283 L N 0.835 121.963 121.223 -0.159 0.000 2.046 283 L HA -0.059 4.280 4.340 -0.001 0.000 0.208 283 L C 2.162 178.982 176.870 -0.084 0.000 1.077 283 L CA 1.036 55.813 54.840 -0.105 0.000 0.747 283 L CB -0.499 41.498 42.059 -0.103 0.000 0.896 283 L HN 0.276 nan 8.230 nan 0.000 0.432 284 L N -0.720 120.448 121.223 -0.091 0.000 2.291 284 L HA -0.138 4.202 4.340 -0.001 0.000 0.214 284 L C 2.099 178.936 176.870 -0.055 0.000 1.120 284 L CA 0.604 55.405 54.840 -0.065 0.000 0.799 284 L CB -0.164 41.858 42.059 -0.061 0.000 0.925 284 L HN 0.266 nan 8.230 nan 0.000 0.446 285 L N -0.533 120.646 121.223 -0.073 0.000 2.610 285 L HA 0.037 4.376 4.340 -0.001 0.000 0.232 285 L C 0.786 177.630 176.870 -0.043 0.000 1.149 285 L CA 0.187 54.994 54.840 -0.055 0.000 0.872 285 L CB -0.199 41.816 42.059 -0.073 0.000 0.992 285 L HN 0.253 nan 8.230 nan 0.000 0.447 286 R N 0.017 120.489 120.500 -0.047 0.000 3.770 286 R HA -0.164 4.176 4.340 -0.001 0.000 0.305 286 R C 0.015 176.297 176.300 -0.029 0.000 1.184 286 R CA 0.399 56.479 56.100 -0.033 0.000 0.823 286 R CB -1.655 28.633 30.300 -0.020 0.000 1.285 286 R HN 0.417 nan 8.270 nan 0.000 0.499 287 R N 1.071 121.546 120.500 -0.042 0.000 2.594 287 R HA 0.157 4.497 4.340 -0.001 0.000 0.272 287 R C -2.064 174.226 176.300 -0.016 0.000 1.074 287 R CA -1.478 54.605 56.100 -0.028 0.000 1.105 287 R CB 0.197 30.469 30.300 -0.046 0.000 1.008 287 R HN -0.113 nan 8.270 nan 0.000 0.472 288 P HA 0.070 nan 4.420 nan 0.000 0.271 288 P C -2.301 175.014 177.300 0.025 0.000 1.226 288 P CA -0.967 62.140 63.100 0.013 0.000 0.765 288 P CB 0.177 31.889 31.700 0.021 0.000 0.835 289 P HA 0.288 nan 4.420 nan 0.000 0.278 289 P C 0.030 177.367 177.300 0.061 0.000 1.238 289 P CA 0.031 63.151 63.100 0.034 0.000 0.794 289 P CB 1.382 33.084 31.700 0.005 0.000 0.955 290 G N 1.359 110.226 108.800 0.113 0.000 3.212 290 G HA2 0.376 4.336 3.960 -0.001 0.000 0.188 290 G HA3 0.376 4.336 3.960 -0.001 0.000 0.188 290 G C -0.669 174.303 174.900 0.119 0.000 1.254 290 G CA -0.958 44.210 45.100 0.113 0.000 0.957 290 G HN 0.579 nan 8.290 nan 0.000 0.596 291 R N 0.506 121.040 120.500 0.056 0.000 2.523 291 R HA 0.044 4.383 4.340 -0.001 0.000 0.281 291 R C 0.126 176.596 176.300 0.284 0.000 0.969 291 R CA 1.213 57.325 56.100 0.020 0.000 1.093 291 R CB -0.300 29.802 30.300 -0.331 0.000 0.917 291 R HN 0.708 nan 8.270 nan 0.000 0.408 292 E N 2.573 122.897 120.200 0.207 0.000 2.883 292 E HA -0.340 4.009 4.350 -0.001 0.000 0.271 292 E C 0.353 176.984 176.600 0.052 0.000 1.049 292 E CA 0.540 57.071 56.400 0.219 0.000 0.817 292 E CB -1.225 28.739 29.700 0.440 0.000 1.407 292 E HN 0.895 nan 8.360 nan 0.000 0.434 293 A N -2.407 120.442 122.820 0.047 0.000 3.153 293 A HA -0.312 4.008 4.320 -0.001 0.000 0.265 293 A C 0.109 177.643 177.584 -0.083 0.000 1.212 293 A CA 1.758 53.766 52.037 -0.048 0.000 1.018 293 A CB -2.156 16.771 19.000 -0.122 0.000 1.130 293 A HN 0.455 nan 8.150 nan 0.000 0.873 294 Y N 0.677 121.075 120.300 0.164 0.000 2.336 294 Y HA 0.444 4.993 4.550 -0.001 0.000 0.331 294 Y C -1.151 174.850 175.900 0.169 0.000 1.211 294 Y CA -1.071 57.118 58.100 0.148 0.000 1.346 294 Y CB 0.447 38.979 38.460 0.119 0.000 1.271 294 Y HN 0.268 nan 8.280 nan 0.000 0.538 295 P HA 0.072 nan 4.420 nan 0.000 0.276 295 P C 0.456 177.917 177.300 0.267 0.000 1.252 295 P CA -0.250 62.974 63.100 0.207 0.000 0.802 295 P CB 0.972 32.748 31.700 0.127 0.000 1.035 296 G N 0.830 109.760 108.800 0.216 0.000 2.535 296 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.218 296 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.218 296 G C 0.638 175.676 174.900 0.229 0.000 1.122 296 G CA 0.501 45.730 45.100 0.216 0.000 0.769 296 G HN 0.627 nan 8.290 nan 0.000 0.549 297 D N -0.083 120.473 120.400 0.260 0.000 2.368 297 D HA 0.082 4.721 4.640 -0.001 0.000 0.218 297 D C 1.787 178.255 176.300 0.280 0.000 1.112 297 D CA -0.352 53.843 54.000 0.324 0.000 0.834 297 D CB 0.047 41.082 40.800 0.393 0.000 0.953 297 D HN 0.095 nan 8.370 nan 0.000 0.505 298 V N -0.238 119.794 119.914 0.197 0.000 2.515 298 V HA -0.107 4.013 4.120 -0.001 0.000 0.250 298 V C 1.791 177.812 176.094 -0.123 0.000 1.058 298 V CA 1.144 63.435 62.300 -0.016 0.000 1.064 298 V CB -0.667 31.089 31.823 -0.111 0.000 0.675 298 V HN 0.192 nan 8.190 nan 0.000 0.461 299 F N -0.028 119.877 119.950 -0.076 0.000 2.075 299 F HA -0.221 4.306 4.527 0.000 0.000 0.297 299 F C 2.221 178.059 175.800 0.063 0.000 1.113 299 F CA 2.427 60.423 58.000 -0.006 0.000 1.218 299 F CB -0.647 38.398 39.000 0.076 0.000 0.984 299 F HN 0.336 nan 8.300 nan 0.000 0.472 300 Y N 0.851 121.252 120.300 0.168 0.000 2.151 300 Y HA -0.275 4.276 4.550 0.002 0.000 0.284 300 Y C 2.208 178.067 175.900 -0.069 0.000 1.166 300 Y CA 1.756 59.901 58.100 0.076 0.000 1.163 300 Y CB -1.089 37.445 38.460 0.122 0.000 0.974 300 Y HN 0.264 nan 8.280 nan 0.000 0.511 301 L N -0.159 120.949 121.223 -0.192 0.000 1.978 301 L HA -0.314 4.026 4.340 -0.001 0.000 0.218 301 L C 2.322 179.037 176.870 -0.258 0.000 1.075 301 L CA 2.616 57.251 54.840 -0.342 0.000 0.767 301 L CB -0.919 40.811 42.059 -0.548 0.000 0.890 301 L HN 0.377 nan 8.230 nan 0.000 0.434 302 H N -1.715 117.179 119.070 -0.294 0.000 2.436 302 H HA -0.045 4.511 4.556 -0.001 0.000 0.294 302 H C 2.368 177.471 175.328 -0.374 0.000 1.048 302 H CA 0.848 56.676 56.048 -0.368 0.000 1.353 302 H CB 0.060 29.594 29.762 -0.381 0.000 1.414 302 H HN 0.573 nan 8.280 nan 0.000 0.536 303 S N 1.008 116.524 115.700 -0.306 0.000 2.383 303 S HA -0.127 4.342 4.470 -0.001 0.000 0.227 303 S C 1.999 176.534 174.600 -0.108 0.000 1.026 303 S CA 0.524 58.567 58.200 -0.263 0.000 0.981 303 S CB -0.080 62.937 63.200 -0.304 0.000 0.818 303 S HN 0.321 nan 8.310 nan 0.000 0.472 304 R N 0.428 120.867 120.500 -0.102 0.000 2.091 304 R HA -0.025 4.314 4.340 -0.001 0.000 0.238 304 R C 2.410 178.699 176.300 -0.019 0.000 1.136 304 R CA 1.540 57.597 56.100 -0.071 0.000 0.959 304 R CB -0.753 29.433 30.300 -0.191 0.000 0.856 304 R HN 0.441 nan 8.270 nan 0.000 0.437 305 L N 0.866 122.059 121.223 -0.051 0.000 2.005 305 L HA -0.116 4.224 4.340 -0.001 0.000 0.207 305 L C 1.959 178.740 176.870 -0.149 0.000 1.072 305 L CA 1.691 56.428 54.840 -0.172 0.000 0.744 305 L CB -0.269 41.460 42.059 -0.551 0.000 0.895 305 L HN 0.103 nan 8.230 nan 0.000 0.433 306 L N -0.897 120.231 121.223 -0.158 0.000 2.395 306 L HA -0.054 4.285 4.340 -0.001 0.000 0.218 306 L C 2.192 179.039 176.870 -0.037 0.000 1.130 306 L CA 0.448 55.231 54.840 -0.094 0.000 0.826 306 L CB -0.262 41.719 42.059 -0.130 0.000 0.941 306 L HN 0.293 nan 8.230 nan 0.000 0.451 307 E N 0.221 120.400 120.200 -0.034 0.000 2.347 307 E HA -0.112 4.238 4.350 -0.001 0.000 0.196 307 E C 2.063 178.665 176.600 0.003 0.000 1.008 307 E CA 0.514 56.909 56.400 -0.008 0.000 0.852 307 E CB 0.166 29.867 29.700 0.003 0.000 0.783 307 E HN 0.247 nan 8.360 nan 0.000 0.505 308 R N -0.093 120.413 120.500 0.010 0.000 2.236 308 R HA 0.164 4.504 4.340 -0.001 0.000 0.208 308 R C 0.441 176.762 176.300 0.036 0.000 1.036 308 R CA 0.481 56.596 56.100 0.025 0.000 1.001 308 R CB 0.101 30.427 30.300 0.043 0.000 0.896 308 R HN -0.010 nan 8.270 nan 0.000 0.464 309 A N 1.261 124.105 122.820 0.040 0.000 2.454 309 A HA 0.551 4.871 4.320 -0.001 0.000 0.260 309 A C -0.209 177.387 177.584 0.020 0.000 1.106 309 A CA 0.160 52.220 52.037 0.038 0.000 0.780 309 A CB 0.285 19.309 19.000 0.041 0.000 1.044 309 A HN 0.305 nan 8.150 nan 0.000 0.498 310 A N 2.435 125.267 122.820 0.020 0.000 2.605 310 A HA 0.671 4.991 4.320 -0.001 0.000 0.294 310 A C -0.767 176.828 177.584 0.018 0.000 1.062 310 A CA -0.769 51.273 52.037 0.008 0.000 0.682 310 A CB 1.111 20.104 19.000 -0.012 0.000 1.278 310 A HN 0.891 nan 8.150 nan 0.000 0.410 311 K N 2.118 122.527 120.400 0.015 0.000 2.240 311 K HA 0.620 4.940 4.320 -0.001 0.000 0.271 311 K C -0.506 176.103 176.600 0.015 0.000 1.018 311 K CA -0.284 56.021 56.287 0.031 0.000 0.874 311 K CB 0.468 32.989 32.500 0.033 0.000 1.098 311 K HN 0.607 nan 8.250 nan 0.000 0.458 312 M N 3.212 122.827 119.600 0.024 0.000 2.274 312 M HA 0.224 4.703 4.480 -0.001 0.000 0.344 312 M C 0.111 176.447 176.300 0.060 0.000 1.161 312 M CA -0.840 54.475 55.300 0.024 0.000 1.126 312 M CB 0.569 33.197 32.600 0.047 0.000 1.522 312 M HN 0.745 nan 8.290 nan 0.000 0.461 313 N N 1.047 119.798 118.700 0.084 0.000 2.399 313 N HA 0.056 4.796 4.740 -0.001 0.000 0.250 313 N C 0.071 175.654 175.510 0.122 0.000 1.272 313 N CA -0.218 52.894 53.050 0.103 0.000 0.928 313 N CB 0.441 38.996 38.487 0.114 0.000 1.158 313 N HN 0.405 nan 8.380 nan 0.000 0.463 314 D N -0.164 120.285 120.400 0.082 0.000 2.182 314 D HA -0.157 4.483 4.640 -0.001 0.000 0.201 314 D C 1.652 177.979 176.300 0.045 0.000 0.986 314 D CA 1.698 55.731 54.000 0.055 0.000 0.847 314 D CB -0.575 40.245 40.800 0.034 0.000 0.942 314 D HN 0.729 nan 8.370 nan 0.000 0.467 315 A N -0.147 122.713 122.820 0.067 0.000 1.972 315 A HA -0.127 4.192 4.320 -0.001 0.000 0.219 315 A C 1.482 178.983 177.584 -0.137 0.000 1.169 315 A CA 0.835 52.862 52.037 -0.018 0.000 0.635 315 A CB -0.580 18.434 19.000 0.023 0.000 0.810 315 A HN 0.184 nan 8.150 nan 0.000 0.446 316 F N -1.042 118.899 119.950 -0.015 0.000 2.668 316 F HA 0.414 4.940 4.527 -0.001 0.000 0.297 316 F C 1.669 177.448 175.800 -0.035 0.000 1.124 316 F CA 0.598 58.584 58.000 -0.022 0.000 1.353 316 F CB 0.574 39.564 39.000 -0.017 0.000 0.992 316 F HN 0.357 nan 8.300 nan 0.000 0.524 317 G N -0.519 108.319 108.800 0.065 0.000 2.259 317 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.217 317 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.217 317 G C 1.271 176.174 174.900 0.005 0.000 1.001 317 G CA -0.137 44.970 45.100 0.011 0.000 0.627 317 G HN 1.038 nan 8.290 nan 0.000 0.501 318 G N -0.351 108.471 108.800 0.038 0.000 2.162 318 G HA2 0.181 4.141 3.960 -0.001 0.000 0.260 318 G HA3 0.181 4.141 3.960 -0.001 0.000 0.260 318 G C 1.517 176.403 174.900 -0.024 0.000 0.976 318 G CA 1.101 46.220 45.100 0.032 0.000 0.655 318 G HN 2.124 nan 8.290 nan 0.000 0.533 319 G N -0.383 108.363 108.800 -0.090 0.000 2.651 319 G HA2 0.678 4.637 3.960 -0.001 0.000 0.260 319 G HA3 0.678 4.637 3.960 -0.001 0.000 0.260 319 G C 0.330 175.176 174.900 -0.090 0.000 1.216 319 G CA 1.028 45.991 45.100 -0.228 0.000 0.913 319 G HN 1.848 nan 8.290 nan 0.000 0.535 320 S N -1.475 114.188 115.700 -0.062 0.000 2.556 320 S HA 0.611 5.081 4.470 -0.001 0.000 0.271 320 S C -1.471 173.184 174.600 0.092 0.000 1.135 320 S CA -0.827 57.428 58.200 0.091 0.000 0.858 320 S CB 1.972 65.318 63.200 0.244 0.000 1.114 320 S HN 1.035 nan 8.310 nan 0.000 0.468 321 L N 1.848 123.115 121.223 0.074 0.000 2.376 321 L HA 0.725 5.065 4.340 -0.001 0.000 0.275 321 L C -0.745 176.150 176.870 0.041 0.000 0.987 321 L CA 0.216 55.096 54.840 0.066 0.000 0.828 321 L CB 1.942 44.043 42.059 0.070 0.000 1.249 321 L HN 0.936 nan 8.230 nan 0.000 0.409 322 T N 4.115 118.682 114.554 0.022 0.000 2.829 322 T HA 0.840 5.189 4.350 -0.001 0.000 0.282 322 T C -0.337 174.346 174.700 -0.029 0.000 0.990 322 T CA -0.301 61.798 62.100 -0.002 0.000 1.028 322 T CB 1.490 70.349 68.868 -0.014 0.000 0.951 322 T HN 0.781 nan 8.240 nan 0.000 0.460 323 A N 3.131 125.937 122.820 -0.023 0.000 2.342 323 A HA 0.769 5.088 4.320 -0.001 0.000 0.323 323 A C -0.578 176.976 177.584 -0.049 0.000 1.125 323 A CA -0.773 51.238 52.037 -0.045 0.000 0.785 323 A CB 0.594 19.639 19.000 0.073 0.000 1.221 323 A HN 0.861 nan 8.150 nan 0.000 0.463 324 L N 4.372 125.538 121.223 -0.096 0.000 2.445 324 L HA 0.332 4.671 4.340 -0.001 0.000 0.252 324 L C -2.322 174.516 176.870 -0.054 0.000 1.105 324 L CA -1.746 53.053 54.840 -0.068 0.000 0.943 324 L CB 1.327 43.348 42.059 -0.063 0.000 1.277 324 L HN 0.490 nan 8.230 nan 0.000 0.465 325 P HA 0.133 nan 4.420 nan 0.000 0.274 325 P C -0.520 176.746 177.300 -0.056 0.000 1.231 325 P CA -0.145 62.969 63.100 0.023 0.000 0.790 325 P CB 2.003 33.676 31.700 -0.044 0.000 0.951 326 V N 4.027 123.903 119.914 -0.062 0.000 2.495 326 V HA 0.384 4.503 4.120 -0.001 0.000 0.298 326 V C 0.339 176.381 176.094 -0.087 0.000 1.031 326 V CA -0.591 61.669 62.300 -0.067 0.000 0.871 326 V CB 1.645 33.444 31.823 -0.040 0.000 0.988 326 V HN 0.418 nan 8.190 nan 0.000 0.432 327 I N 3.534 124.055 120.570 -0.082 0.000 2.465 327 I HA 0.432 4.602 4.170 -0.001 0.000 0.291 327 I C 0.018 176.118 176.117 -0.028 0.000 1.014 327 I CA -0.382 60.877 61.300 -0.068 0.000 1.093 327 I CB 2.082 40.035 38.000 -0.080 0.000 1.267 327 I HN 0.755 nan 8.210 nan 0.000 0.431 328 E N 5.065 125.262 120.200 -0.006 0.000 2.146 328 E HA 0.343 4.692 4.350 -0.001 0.000 0.282 328 E C -0.444 176.176 176.600 0.034 0.000 0.989 328 E CA -0.392 56.017 56.400 0.015 0.000 0.799 328 E CB 1.086 30.799 29.700 0.021 0.000 1.088 328 E HN 0.699 nan 8.360 nan 0.000 0.397 329 T N 1.958 116.539 114.554 0.046 0.000 2.902 329 T HA 0.312 4.661 4.350 -0.001 0.000 0.280 329 T C -0.030 174.706 174.700 0.060 0.000 0.992 329 T CA -0.996 61.142 62.100 0.064 0.000 1.015 329 T CB 1.443 70.362 68.868 0.084 0.000 1.044 329 T HN 0.334 nan 8.240 nan 0.000 0.520 330 Q N 0.421 120.261 119.800 0.067 0.000 2.348 330 Q HA 0.536 4.876 4.340 -0.001 0.000 0.265 330 Q C 0.355 176.389 176.000 0.057 0.000 0.998 330 Q CA -0.248 55.592 55.803 0.060 0.000 0.831 330 Q CB 1.295 30.073 28.738 0.066 0.000 1.251 330 Q HN 1.223 nan 8.270 nan 0.000 0.456 331 A N 2.318 125.169 122.820 0.051 0.000 2.640 331 A HA -0.162 4.157 4.320 -0.001 0.000 0.300 331 A C 1.165 178.780 177.584 0.051 0.000 1.499 331 A CA 1.440 53.506 52.037 0.049 0.000 0.759 331 A CB -2.118 16.908 19.000 0.043 0.000 1.048 331 A HN 1.552 nan 8.150 nan 0.000 0.450 332 G N -1.087 107.748 108.800 0.059 0.000 2.166 332 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.260 332 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.260 332 G C 0.034 174.973 174.900 0.064 0.000 0.986 332 G CA 0.999 46.137 45.100 0.064 0.000 0.683 332 G HN 1.556 nan 8.290 nan 0.000 0.527 333 D N 0.835 121.275 120.400 0.067 0.000 2.498 333 D HA 0.340 4.980 4.640 -0.001 0.000 0.229 333 D C 1.936 178.290 176.300 0.090 0.000 1.188 333 D CA 0.316 54.357 54.000 0.068 0.000 1.028 333 D CB 0.345 41.185 40.800 0.067 0.000 1.087 333 D HN 0.605 nan 8.370 nan 0.000 0.510 334 V N 0.986 120.959 119.914 0.099 0.000 3.444 334 V HA 0.003 4.122 4.120 -0.001 0.000 0.271 334 V C 1.268 177.439 176.094 0.128 0.000 1.188 334 V CA 0.807 63.196 62.300 0.147 0.000 1.168 334 V CB -0.221 31.729 31.823 0.211 0.000 0.810 334 V HN 0.271 nan 8.190 nan 0.000 0.500 335 S N 0.479 116.236 115.700 0.095 0.000 2.557 335 S HA 0.643 5.113 4.470 -0.001 0.000 0.223 335 S C 1.129 175.791 174.600 0.102 0.000 0.969 335 S CA 0.226 58.481 58.200 0.090 0.000 0.927 335 S CB 0.160 63.396 63.200 0.060 0.000 0.806 335 S HN 0.891 nan 8.310 nan 0.000 0.489 336 A N 0.564 123.453 122.820 0.115 0.000 2.366 336 A HA 0.352 4.672 4.320 -0.001 0.000 0.250 336 A C 0.805 178.510 177.584 0.201 0.000 1.099 336 A CA -0.130 51.992 52.037 0.143 0.000 0.794 336 A CB -0.122 18.960 19.000 0.136 0.000 1.056 336 A HN 0.505 nan 8.150 nan 0.000 0.499 337 Y N -0.114 120.220 120.300 0.056 0.000 2.089 337 Y HA -0.217 4.333 4.550 -0.001 0.000 0.282 337 Y C 1.891 177.786 175.900 -0.008 0.000 1.139 337 Y CA 1.663 59.783 58.100 0.032 0.000 1.123 337 Y CB -0.025 38.462 38.460 0.044 0.000 0.980 337 Y HN 0.510 nan 8.280 nan 0.000 0.493 338 I N 0.511 121.055 120.570 -0.044 0.000 2.202 338 I HA -0.164 4.005 4.170 -0.001 0.000 0.242 338 I C -0.667 175.442 176.117 -0.013 0.000 1.091 338 I CA 1.046 62.248 61.300 -0.163 0.000 1.368 338 I CB -2.921 34.926 38.000 -0.255 0.000 1.058 338 I HN 0.187 nan 8.210 nan 0.000 0.410 339 P HA -0.133 nan 4.420 nan 0.000 0.215 339 P C 1.852 179.209 177.300 0.094 0.000 1.157 339 P CA 1.927 65.061 63.100 0.057 0.000 0.874 339 P CB -0.191 31.564 31.700 0.091 0.000 0.790 340 T N -0.523 114.115 114.554 0.140 0.000 2.665 340 T HA -0.181 4.169 4.350 -0.001 0.000 0.268 340 T C 1.606 176.426 174.700 0.200 0.000 1.035 340 T CA 1.725 63.928 62.100 0.171 0.000 1.151 340 T CB -1.041 67.944 68.868 0.196 0.000 0.862 340 T HN 0.123 nan 8.240 nan 0.000 0.438 341 N N 0.860 119.695 118.700 0.225 0.000 2.025 341 N HA -0.085 4.655 4.740 -0.001 0.000 0.194 341 N C 1.975 177.564 175.510 0.132 0.000 1.044 341 N CA 1.050 54.282 53.050 0.305 0.000 0.851 341 N CB -0.920 37.693 38.487 0.210 0.000 1.036 341 N HN 0.233 nan 8.380 nan 0.000 0.422 342 V N 1.389 121.312 119.914 0.015 0.000 2.548 342 V HA -0.073 4.047 4.120 -0.001 0.000 0.249 342 V C 2.247 178.319 176.094 -0.036 0.000 1.055 342 V CA 0.797 63.047 62.300 -0.084 0.000 1.065 342 V CB -0.410 31.303 31.823 -0.184 0.000 0.681 342 V HN 0.209 nan 8.190 nan 0.000 0.462 343 I N 1.303 121.885 120.570 0.020 0.000 2.163 343 I HA -0.277 3.892 4.170 -0.001 0.000 0.243 343 I C 2.750 178.914 176.117 0.077 0.000 1.085 343 I CA 2.049 63.376 61.300 0.046 0.000 1.347 343 I CB -0.456 37.614 38.000 0.115 0.000 1.044 343 I HN 0.502 nan 8.210 nan 0.000 0.408 344 S N 0.947 116.726 115.700 0.131 0.000 2.383 344 S HA -0.114 4.356 4.470 -0.001 0.000 0.227 344 S C 1.987 176.677 174.600 0.150 0.000 1.026 344 S CA 0.899 59.200 58.200 0.167 0.000 0.981 344 S CB -0.753 62.598 63.200 0.253 0.000 0.818 344 S HN 0.414 nan 8.310 nan 0.000 0.472 345 I N 2.391 123.020 120.570 0.099 0.000 2.252 345 I HA -0.072 4.097 4.170 -0.001 0.000 0.245 345 I C 1.660 177.777 176.117 0.001 0.000 1.102 345 I CA 1.047 62.356 61.300 0.015 0.000 1.385 345 I CB -0.946 36.961 38.000 -0.155 0.000 1.064 345 I HN 0.466 nan 8.210 nan 0.000 0.414 346 T N -1.917 112.628 114.554 -0.015 0.000 2.754 346 T HA 0.066 4.416 4.350 -0.001 0.000 0.286 346 T C 0.552 175.251 174.700 -0.001 0.000 0.997 346 T CA -0.518 61.568 62.100 -0.024 0.000 0.982 346 T CB 0.800 69.636 68.868 -0.053 0.000 1.027 346 T HN 0.061 nan 8.240 nan 0.000 0.529 347 D N 0.080 120.476 120.400 -0.007 0.000 2.339 347 D HA 0.326 4.965 4.640 -0.001 0.000 0.217 347 D C 0.935 177.238 176.300 0.004 0.000 1.050 347 D CA 0.441 54.444 54.000 0.004 0.000 0.856 347 D CB 0.182 40.983 40.800 0.001 0.000 0.922 347 D HN 0.906 nan 8.370 nan 0.000 0.518 348 G N 0.115 108.909 108.800 -0.010 0.000 2.328 348 G HA2 0.330 4.290 3.960 -0.001 0.000 0.299 348 G HA3 0.330 4.290 3.960 -0.001 0.000 0.299 348 G C -1.932 172.923 174.900 -0.075 0.000 1.435 348 G CA -0.863 44.229 45.100 -0.014 0.000 0.865 348 G HN -0.058 nan 8.290 nan 0.000 0.601 349 Q N -0.776 118.956 119.800 -0.113 0.000 2.345 349 Q HA 0.671 5.011 4.340 -0.001 0.000 0.275 349 Q C -0.685 175.134 176.000 -0.301 0.000 1.063 349 Q CA -0.471 55.134 55.803 -0.329 0.000 0.819 349 Q CB 2.781 31.104 28.738 -0.692 0.000 1.356 349 Q HN 0.596 nan 8.270 nan 0.000 0.418 350 I N 2.670 123.056 120.570 -0.307 0.000 2.330 350 I HA 0.353 4.523 4.170 -0.001 0.000 0.286 350 I C -0.895 175.089 176.117 -0.222 0.000 1.025 350 I CA -0.403 60.802 61.300 -0.158 0.000 1.197 350 I CB 0.403 38.358 38.000 -0.074 0.000 1.358 350 I HN 0.468 nan 8.210 nan 0.000 0.467 351 F N 6.803 126.764 119.950 0.018 0.000 2.411 351 F HA 0.430 4.956 4.527 -0.001 0.000 0.355 351 F C 0.178 175.993 175.800 0.025 0.000 1.117 351 F CA -0.387 57.625 58.000 0.020 0.000 1.139 351 F CB 0.705 39.718 39.000 0.022 0.000 1.120 351 F HN 0.177 nan 8.300 nan 0.000 0.493 352 L N 3.671 125.002 121.223 0.179 0.000 2.325 352 L HA 0.582 4.921 4.340 -0.001 0.000 0.278 352 L C -0.505 176.441 176.870 0.127 0.000 1.023 352 L CA -0.735 54.181 54.840 0.127 0.000 0.811 352 L CB 1.860 43.964 42.059 0.075 0.000 1.249 352 L HN 0.573 nan 8.230 nan 0.000 0.431 353 E N 0.260 120.529 120.200 0.115 0.000 2.293 353 E HA 0.265 4.615 4.350 -0.001 0.000 0.270 353 E C -0.185 176.481 176.600 0.109 0.000 0.879 353 E CA -0.484 55.978 56.400 0.104 0.000 0.756 353 E CB 2.503 32.262 29.700 0.098 0.000 1.208 353 E HN 0.544 nan 8.360 nan 0.000 0.428 354 T N 1.281 115.895 114.554 0.101 0.000 2.737 354 T HA -0.148 4.201 4.350 -0.001 0.000 0.265 354 T C 1.184 176.026 174.700 0.237 0.000 1.038 354 T CA 1.309 63.491 62.100 0.136 0.000 1.144 354 T CB -0.034 68.929 68.868 0.158 0.000 0.866 354 T HN 0.457 nan 8.240 nan 0.000 0.434 355 E N 0.795 121.111 120.200 0.193 0.000 2.268 355 E HA 0.001 4.351 4.350 -0.001 0.000 0.195 355 E C 2.132 178.837 176.600 0.175 0.000 0.995 355 E CA 0.537 57.059 56.400 0.203 0.000 0.836 355 E CB -0.270 29.514 29.700 0.139 0.000 0.763 355 E HN 0.441 nan 8.360 nan 0.000 0.491 356 L N -0.043 121.263 121.223 0.140 0.000 2.072 356 L HA -0.129 4.210 4.340 -0.001 0.000 0.205 356 L C 2.344 179.266 176.870 0.086 0.000 1.079 356 L CA 0.832 55.734 54.840 0.103 0.000 0.752 356 L CB -0.400 41.712 42.059 0.089 0.000 0.906 356 L HN 0.115 nan 8.230 nan 0.000 0.436 357 F N 0.212 120.121 119.950 -0.069 0.000 2.065 357 F HA -0.341 4.186 4.527 -0.001 0.000 0.298 357 F C 2.250 177.912 175.800 -0.229 0.000 1.112 357 F CA 1.884 59.758 58.000 -0.210 0.000 1.212 357 F CB -0.327 38.441 39.000 -0.387 0.000 0.975 357 F HN -0.039 nan 8.300 nan 0.000 0.476 358 Y N -0.462 119.990 120.300 0.252 0.000 2.516 358 Y HA -0.017 4.532 4.550 -0.001 0.000 0.291 358 Y C 2.127 178.058 175.900 0.051 0.000 1.131 358 Y CA 0.574 58.764 58.100 0.150 0.000 1.281 358 Y CB -0.283 38.284 38.460 0.178 0.000 1.013 358 Y HN -0.044 nan 8.280 nan 0.000 0.554 359 K N -0.439 120.056 120.400 0.158 0.000 2.365 359 K HA 0.011 4.330 4.320 -0.001 0.000 0.199 359 K C 1.462 178.078 176.600 0.026 0.000 1.045 359 K CA 0.906 57.247 56.287 0.089 0.000 0.962 359 K CB -0.097 32.452 32.500 0.080 0.000 0.759 359 K HN 0.464 nan 8.250 nan 0.000 0.469 360 G N 0.626 109.401 108.800 -0.043 0.000 2.201 360 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.212 360 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.212 360 G C 0.015 174.844 174.900 -0.119 0.000 0.994 360 G CA -0.452 44.590 45.100 -0.096 0.000 0.644 360 G HN 0.089 nan 8.290 nan 0.000 0.508 361 I N 2.268 122.785 120.570 -0.089 0.000 2.357 361 I HA 0.322 4.491 4.170 -0.001 0.000 0.300 361 I C 0.711 176.749 176.117 -0.132 0.000 1.159 361 I CA 0.431 61.690 61.300 -0.068 0.000 1.339 361 I CB -0.710 37.287 38.000 -0.005 0.000 1.458 361 I HN 0.158 nan 8.210 nan 0.000 0.577 362 R N 7.348 127.748 120.500 -0.166 0.000 2.483 362 R HA 0.407 4.747 4.340 -0.001 0.000 0.303 362 R C -2.543 173.693 176.300 -0.106 0.000 0.987 362 R CA -1.657 54.324 56.100 -0.199 0.000 0.881 362 R CB 2.408 32.475 30.300 -0.388 0.000 1.177 362 R HN 0.252 nan 8.270 nan 0.000 0.451 363 P HA -0.010 nan 4.420 nan 0.000 0.268 363 P C -0.289 177.019 177.300 0.014 0.000 1.205 363 P CA -0.084 63.010 63.100 -0.011 0.000 0.771 363 P CB 0.898 32.599 31.700 0.001 0.000 0.858 364 A N 4.294 127.159 122.820 0.074 0.000 2.916 364 A HA 0.197 4.516 4.320 -0.001 0.000 0.254 364 A C 0.721 178.361 177.584 0.093 0.000 1.544 364 A CA -0.359 51.737 52.037 0.098 0.000 1.224 364 A CB -1.445 17.679 19.000 0.206 0.000 1.012 364 A HN 0.477 nan 8.150 nan 0.000 0.636 365 I N 1.051 121.664 120.570 0.072 0.000 2.416 365 I HA 0.035 4.205 4.170 -0.001 0.000 0.288 365 I C 0.498 176.670 176.117 0.092 0.000 1.051 365 I CA -0.441 60.910 61.300 0.085 0.000 1.375 365 I CB 0.635 38.674 38.000 0.064 0.000 1.407 365 I HN 0.295 nan 8.210 nan 0.000 0.516 366 N N 6.493 125.265 118.700 0.121 0.000 2.402 366 N HA 0.045 4.785 4.740 -0.001 0.000 0.259 366 N C 0.712 176.284 175.510 0.105 0.000 1.167 366 N CA 0.131 53.240 53.050 0.100 0.000 0.949 366 N CB 1.250 39.787 38.487 0.084 0.000 1.212 366 N HN 0.435 nan 8.380 nan 0.000 0.493 367 V N 3.499 123.461 119.914 0.080 0.000 2.515 367 V HA -0.114 4.005 4.120 -0.001 0.000 0.250 367 V C 2.211 178.345 176.094 0.066 0.000 1.058 367 V CA 2.139 64.484 62.300 0.074 0.000 1.064 367 V CB -0.706 31.155 31.823 0.063 0.000 0.675 367 V HN 0.757 nan 8.190 nan 0.000 0.461 368 G N -0.730 108.099 108.800 0.048 0.000 2.422 368 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.218 368 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.218 368 G C 1.512 176.422 174.900 0.016 0.000 1.140 368 G CA 0.586 45.701 45.100 0.025 0.000 0.775 368 G HN 0.471 nan 8.290 nan 0.000 0.545 369 L N 0.498 121.727 121.223 0.010 0.000 2.354 369 L HA 0.176 4.515 4.340 -0.001 0.000 0.212 369 L C 1.075 178.044 176.870 0.166 0.000 1.091 369 L CA -0.095 54.718 54.840 -0.046 0.000 0.828 369 L CB -0.050 41.829 42.059 -0.301 0.000 0.973 369 L HN 0.029 nan 8.230 nan 0.000 0.461 370 S N -0.007 115.862 115.700 0.281 0.000 2.572 370 S HA 0.305 4.774 4.470 -0.001 0.000 0.279 370 S C -0.268 174.447 174.600 0.191 0.000 1.341 370 S CA -0.139 58.268 58.200 0.346 0.000 1.043 370 S CB 2.137 65.466 63.200 0.216 0.000 0.887 370 S HN 0.033 nan 8.310 nan 0.000 0.516 371 V N 1.818 121.825 119.914 0.155 0.000 3.012 371 V HA 0.752 4.871 4.120 -0.001 0.000 0.307 371 V C -1.086 175.039 176.094 0.051 0.000 1.166 371 V CA -0.498 61.859 62.300 0.096 0.000 0.974 371 V CB 2.568 34.456 31.823 0.109 0.000 1.040 371 V HN 0.814 nan 8.190 nan 0.000 0.428 372 S N 5.157 120.880 115.700 0.037 0.000 2.756 372 S HA 0.512 4.982 4.470 -0.001 0.000 0.303 372 S C 0.564 175.177 174.600 0.022 0.000 1.135 372 S CA -0.659 57.553 58.200 0.020 0.000 1.066 372 S CB 1.416 64.623 63.200 0.011 0.000 1.008 372 S HN 0.788 nan 8.310 nan 0.000 0.482 373 R N 2.910 123.423 120.500 0.021 0.000 2.235 373 R HA 0.018 4.357 4.340 -0.001 0.000 0.213 373 R C 1.524 177.833 176.300 0.015 0.000 1.059 373 R CA 0.922 57.035 56.100 0.022 0.000 0.997 373 R CB -0.195 30.120 30.300 0.025 0.000 0.884 373 R HN 0.568 nan 8.270 nan 0.000 0.462 374 V N 0.173 120.093 119.914 0.009 0.000 2.453 374 V HA -0.053 4.067 4.120 -0.001 0.000 0.247 374 V C 1.753 177.849 176.094 0.004 0.000 1.048 374 V CA 1.481 63.784 62.300 0.004 0.000 1.049 374 V CB -0.796 31.026 31.823 -0.002 0.000 0.672 374 V HN 0.664 nan 8.190 nan 0.000 0.457 375 G N 0.425 109.229 108.800 0.006 0.000 2.611 375 G HA2 -0.405 3.554 3.960 -0.001 0.000 0.301 375 G HA3 -0.405 3.554 3.960 -0.001 0.000 0.301 375 G C 1.145 176.047 174.900 0.003 0.000 1.233 375 G CA 0.701 45.805 45.100 0.008 0.000 0.993 375 G HN 0.381 nan 8.290 nan 0.000 0.553 376 S N 0.793 116.496 115.700 0.005 0.000 2.419 376 S HA 0.011 4.480 4.470 -0.001 0.000 0.235 376 S C 2.746 177.345 174.600 -0.003 0.000 1.019 376 S CA 2.031 60.232 58.200 0.002 0.000 0.982 376 S CB -0.604 62.599 63.200 0.005 0.000 0.789 376 S HN 1.604 nan 8.310 nan 0.000 0.490 377 A N 0.777 123.595 122.820 -0.003 0.000 2.076 377 A HA 0.146 4.466 4.320 -0.001 0.000 0.220 377 A C 1.952 179.526 177.584 -0.016 0.000 1.160 377 A CA 1.496 53.529 52.037 -0.008 0.000 0.653 377 A CB -0.494 18.503 19.000 -0.004 0.000 0.801 377 A HN 0.513 nan 8.150 nan 0.000 0.455 378 A N -1.484 121.326 122.820 -0.018 0.000 2.387 378 A HA 0.372 4.691 4.320 -0.001 0.000 0.234 378 A C 0.694 178.259 177.584 -0.033 0.000 1.253 378 A CA -0.201 51.819 52.037 -0.029 0.000 0.894 378 A CB 0.055 19.038 19.000 -0.027 0.000 0.963 378 A HN 0.583 nan 8.150 nan 0.000 0.508 379 Q N 0.451 120.237 119.800 -0.023 0.000 2.301 379 Q HA 0.452 4.792 4.340 -0.001 0.000 0.267 379 Q C -0.134 175.853 176.000 -0.021 0.000 1.035 379 Q CA -0.557 55.235 55.803 -0.019 0.000 0.856 379 Q CB 1.742 30.476 28.738 -0.007 0.000 1.337 379 Q HN 0.457 nan 8.270 nan 0.000 0.450 380 T N -1.540 113.002 114.554 -0.021 0.000 2.868 380 T HA 0.228 4.578 4.350 -0.001 0.000 0.292 380 T C 0.929 175.624 174.700 -0.009 0.000 1.028 380 T CA -0.518 61.571 62.100 -0.019 0.000 1.059 380 T CB 0.994 69.851 68.868 -0.018 0.000 0.991 380 T HN 0.572 nan 8.240 nan 0.000 0.531 381 R N 0.725 121.219 120.500 -0.009 0.000 2.105 381 R HA -0.087 4.252 4.340 -0.001 0.000 0.239 381 R C 2.772 179.073 176.300 0.001 0.000 1.135 381 R CA 1.424 57.522 56.100 -0.004 0.000 0.967 381 R CB -0.896 29.401 30.300 -0.005 0.000 0.861 381 R HN 0.849 nan 8.270 nan 0.000 0.442 382 A N 0.702 123.522 122.820 -0.001 0.000 1.908 382 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 382 A C 2.081 179.672 177.584 0.012 0.000 1.181 382 A CA 1.604 53.642 52.037 0.001 0.000 0.627 382 A CB -0.375 18.622 19.000 -0.004 0.000 0.818 382 A HN 0.240 nan 8.150 nan 0.000 0.445 383 M N -0.404 119.203 119.600 0.012 0.000 2.200 383 M HA 0.028 4.508 4.480 -0.001 0.000 0.265 383 M C 1.828 178.139 176.300 0.019 0.000 1.066 383 M CA 1.794 57.105 55.300 0.018 0.000 1.127 383 M CB -0.439 32.169 32.600 0.013 0.000 1.379 383 M HN 0.356 nan 8.290 nan 0.000 0.420 384 K N -0.173 120.235 120.400 0.013 0.000 2.280 384 K HA -0.198 4.121 4.320 -0.001 0.000 0.202 384 K C 1.802 178.413 176.600 0.019 0.000 1.047 384 K CA 1.513 57.808 56.287 0.013 0.000 0.942 384 K CB -0.058 32.446 32.500 0.007 0.000 0.739 384 K HN 0.708 nan 8.250 nan 0.000 0.457 385 Q N -0.313 119.500 119.800 0.023 0.000 2.451 385 Q HA -0.046 4.293 4.340 -0.001 0.000 0.206 385 Q C 1.255 177.283 176.000 0.046 0.000 0.947 385 Q CA 0.946 56.768 55.803 0.031 0.000 0.937 385 Q CB 0.463 29.218 28.738 0.029 0.000 1.025 385 Q HN 0.203 nan 8.270 nan 0.000 0.511 386 V N -5.077 114.865 119.914 0.047 0.000 3.431 386 V HA 0.483 4.602 4.120 -0.001 0.000 0.255 386 V C 2.087 178.204 176.094 0.039 0.000 1.403 386 V CA 0.291 62.625 62.300 0.058 0.000 1.101 386 V CB -0.136 31.739 31.823 0.088 0.000 0.891 386 V HN 0.205 nan 8.190 nan 0.000 0.446 387 A N 1.791 124.630 122.820 0.032 0.000 1.969 387 A HA 0.158 4.478 4.320 -0.001 0.000 0.218 387 A C 2.222 179.818 177.584 0.021 0.000 1.169 387 A CA 1.998 54.050 52.037 0.025 0.000 0.635 387 A CB -1.207 17.806 19.000 0.022 0.000 0.810 387 A HN 0.741 nan 8.150 nan 0.000 0.445 388 G N -0.735 108.078 108.800 0.020 0.000 2.414 388 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.215 388 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.215 388 G C 1.587 176.496 174.900 0.015 0.000 1.188 388 G CA 1.627 46.737 45.100 0.017 0.000 0.783 388 G HN 0.428 nan 8.290 nan 0.000 0.537 389 T N 1.032 115.595 114.554 0.014 0.000 2.684 389 T HA -0.161 4.189 4.350 -0.001 0.000 0.267 389 T C 2.294 176.996 174.700 0.002 0.000 1.036 389 T CA 1.430 63.534 62.100 0.007 0.000 1.148 389 T CB -0.230 68.641 68.868 0.004 0.000 0.863 389 T HN 0.198 nan 8.240 nan 0.000 0.436 390 M N 0.749 120.352 119.600 0.005 0.000 2.117 390 M HA -0.115 4.365 4.480 -0.001 0.000 0.262 390 M C 2.407 178.713 176.300 0.009 0.000 1.065 390 M CA 1.636 56.937 55.300 0.001 0.000 1.114 390 M CB -0.173 32.430 32.600 0.005 0.000 1.361 390 M HN 0.100 nan 8.290 nan 0.000 0.408 391 K N 0.034 120.444 120.400 0.016 0.000 2.057 391 K HA -0.217 4.102 4.320 -0.001 0.000 0.207 391 K C 1.868 178.483 176.600 0.025 0.000 1.049 391 K CA 1.345 57.646 56.287 0.023 0.000 0.931 391 K CB -0.184 32.330 32.500 0.023 0.000 0.714 391 K HN 0.286 nan 8.250 nan 0.000 0.440 392 L N 1.688 122.922 121.223 0.019 0.000 2.072 392 L HA -0.088 4.251 4.340 -0.001 0.000 0.205 392 L C 1.689 178.573 176.870 0.024 0.000 1.079 392 L CA 1.754 56.605 54.840 0.019 0.000 0.752 392 L CB -0.261 41.805 42.059 0.013 0.000 0.906 392 L HN 0.172 nan 8.230 nan 0.000 0.436 393 E N -0.736 119.474 120.200 0.017 0.000 2.150 393 E HA -0.174 4.176 4.350 -0.001 0.000 0.193 393 E C 2.237 178.870 176.600 0.056 0.000 0.985 393 E CA 1.150 57.562 56.400 0.020 0.000 0.814 393 E CB -0.142 29.550 29.700 -0.013 0.000 0.752 393 E HN 0.484 nan 8.360 nan 0.000 0.466 394 L N 0.287 121.544 121.223 0.058 0.000 2.156 394 L HA -0.072 4.268 4.340 -0.001 0.000 0.208 394 L C 2.483 179.438 176.870 0.141 0.000 1.095 394 L CA 0.659 55.572 54.840 0.122 0.000 0.770 394 L CB -0.283 41.825 42.059 0.082 0.000 0.914 394 L HN 0.135 nan 8.230 nan 0.000 0.439 395 A N -0.307 122.558 122.820 0.074 0.000 1.898 395 A HA -0.232 4.088 4.320 -0.001 0.000 0.216 395 A C 2.204 179.806 177.584 0.031 0.000 1.181 395 A CA 1.388 53.451 52.037 0.043 0.000 0.620 395 A CB -0.392 18.624 19.000 0.028 0.000 0.819 395 A HN 0.433 nan 8.150 nan 0.000 0.442 396 Q N -2.041 117.786 119.800 0.046 0.000 2.167 396 Q HA -0.181 4.159 4.340 -0.001 0.000 0.202 396 Q C 1.942 177.970 176.000 0.047 0.000 0.970 396 Q CA 1.705 57.531 55.803 0.038 0.000 0.855 396 Q CB -0.336 28.427 28.738 0.041 0.000 0.911 396 Q HN 0.878 nan 8.270 nan 0.000 0.438 397 Y N 0.945 121.220 120.300 -0.041 0.000 2.242 397 Y HA -0.109 4.440 4.550 -0.001 0.000 0.291 397 Y C 1.995 177.846 175.900 -0.082 0.000 1.137 397 Y CA 1.266 59.330 58.100 -0.060 0.000 1.181 397 Y CB 0.027 38.456 38.460 -0.051 0.000 0.989 397 Y HN -0.152 nan 8.280 nan 0.000 0.527 398 R N 0.451 120.786 120.500 -0.275 0.000 2.152 398 R HA -0.134 4.206 4.340 -0.001 0.000 0.232 398 R C 2.013 178.134 176.300 -0.300 0.000 1.117 398 R CA 1.578 57.465 56.100 -0.356 0.000 0.981 398 R CB -0.119 30.100 30.300 -0.134 0.000 0.870 398 R HN 0.561 nan 8.270 nan 0.000 0.451 399 E N -0.498 119.580 120.200 -0.202 0.000 2.208 399 E HA -0.110 4.239 4.350 -0.001 0.000 0.193 399 E C 1.380 177.840 176.600 -0.232 0.000 0.988 399 E CA 1.083 57.395 56.400 -0.146 0.000 0.828 399 E CB 0.348 30.014 29.700 -0.058 0.000 0.763 399 E HN 0.171 nan 8.360 nan 0.000 0.478 400 V N 0.143 119.832 119.914 -0.374 0.000 3.661 400 V HA 0.141 4.260 4.120 -0.001 0.000 0.271 400 V C 1.957 177.484 176.094 -0.946 0.000 1.315 400 V CA 0.753 62.675 62.300 -0.631 0.000 1.072 400 V CB 0.524 32.186 31.823 -0.267 0.000 0.830 400 V HN 0.176 nan 8.190 nan 0.000 0.443 401 A N 0.991 123.354 122.820 -0.762 0.000 2.024 401 A HA -0.120 4.200 4.320 -0.001 0.000 0.220 401 A C 2.376 179.693 177.584 -0.445 0.000 1.164 401 A CA 1.995 53.614 52.037 -0.697 0.000 0.643 401 A CB -0.474 17.935 19.000 -0.984 0.000 0.806 401 A HN 0.578 nan 8.150 nan 0.000 0.451 402 A N -0.106 122.433 122.820 -0.468 0.000 1.933 402 A HA 0.038 4.357 4.320 -0.001 0.000 0.218 402 A C 1.322 178.890 177.584 -0.026 0.000 1.175 402 A CA 1.336 53.252 52.037 -0.202 0.000 0.628 402 A CB -0.731 18.204 19.000 -0.107 0.000 0.814 402 A HN 1.002 nan 8.150 nan 0.000 0.444 403 F N -2.736 117.249 119.950 0.057 0.000 2.983 403 F HA 0.734 5.261 4.527 -0.001 0.000 0.307 403 F C 1.328 177.219 175.800 0.152 0.000 1.218 403 F CA -0.601 57.497 58.000 0.164 0.000 1.323 403 F CB -0.646 38.419 39.000 0.108 0.000 0.989 403 F HN 0.078 nan 8.300 nan 0.000 0.509 404 A N 0.266 123.131 122.820 0.074 0.000 2.014 404 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 404 A C 1.960 179.607 177.584 0.105 0.000 1.163 404 A CA 1.142 53.227 52.037 0.079 0.000 0.652 404 A CB -0.311 18.726 19.000 0.061 0.000 0.808 404 A HN 0.632 nan 8.150 nan 0.000 0.449 405 Q N -2.311 117.563 119.800 0.124 0.000 2.247 405 Q HA 0.283 4.622 4.340 -0.001 0.000 0.211 405 Q C -0.748 175.086 176.000 -0.276 0.000 0.861 405 Q CA -0.075 55.685 55.803 -0.072 0.000 0.949 405 Q CB 0.452 29.106 28.738 -0.140 0.000 1.115 405 Q HN 0.640 nan 8.270 nan 0.000 0.507 406 F N -0.025 119.997 119.950 0.120 0.000 2.761 406 F HA 0.437 4.964 4.527 -0.001 0.000 0.367 406 F C 0.458 176.331 175.800 0.122 0.000 1.386 406 F CA -0.640 57.428 58.000 0.113 0.000 1.177 406 F CB 1.784 40.858 39.000 0.123 0.000 1.092 406 F HN -0.093 nan 8.300 nan 0.000 0.517 407 G N -0.321 108.603 108.800 0.207 0.000 4.101 407 G HA2 0.193 4.153 3.960 -0.001 0.000 0.262 407 G HA3 0.193 4.153 3.960 -0.001 0.000 0.262 407 G C 0.537 175.493 174.900 0.094 0.000 1.181 407 G CA -0.100 45.099 45.100 0.166 0.000 0.640 407 G HN 0.237 nan 8.290 nan 0.000 0.467 408 S N -1.044 114.688 115.700 0.054 0.000 2.496 408 S HA 0.041 4.511 4.470 -0.001 0.000 0.224 408 S C 0.840 175.455 174.600 0.026 0.000 0.996 408 S CA 0.869 59.086 58.200 0.028 0.000 0.927 408 S CB 0.372 63.576 63.200 0.007 0.000 0.774 408 S HN 0.229 nan 8.310 nan 0.000 0.524 409 D N 1.123 121.540 120.400 0.029 0.000 2.469 409 D HA 0.266 4.906 4.640 -0.001 0.000 0.215 409 D C 0.091 176.404 176.300 0.021 0.000 1.154 409 D CA -0.132 53.880 54.000 0.019 0.000 0.832 409 D CB 0.662 41.468 40.800 0.011 0.000 1.008 409 D HN 0.440 nan 8.370 nan 0.000 0.506 410 L N 0.644 121.888 121.223 0.036 0.000 2.464 410 L HA 0.290 4.630 4.340 -0.001 0.000 0.264 410 L C 0.518 177.412 176.870 0.040 0.000 1.199 410 L CA -0.857 54.006 54.840 0.039 0.000 0.818 410 L CB 0.165 42.266 42.059 0.070 0.000 1.102 410 L HN -0.193 nan 8.230 nan 0.000 0.473 411 D N 1.287 121.708 120.400 0.034 0.000 2.362 411 D HA 0.089 4.729 4.640 -0.001 0.000 0.238 411 D C 1.024 177.344 176.300 0.033 0.000 1.212 411 D CA 0.202 54.219 54.000 0.028 0.000 0.902 411 D CB 1.021 41.834 40.800 0.022 0.000 1.180 411 D HN 0.828 nan 8.370 nan 0.000 0.445 412 A N 1.348 124.182 122.820 0.022 0.000 1.978 412 A HA -0.018 4.302 4.320 -0.001 0.000 0.220 412 A C 2.237 179.834 177.584 0.021 0.000 1.170 412 A CA 2.416 54.464 52.037 0.018 0.000 0.636 412 A CB -1.017 17.988 19.000 0.008 0.000 0.810 412 A HN 0.747 nan 8.150 nan 0.000 0.448 413 A N -0.212 122.622 122.820 0.023 0.000 1.877 413 A HA -0.124 4.196 4.320 -0.001 0.000 0.216 413 A C 2.390 179.996 177.584 0.037 0.000 1.186 413 A CA 2.515 54.566 52.037 0.024 0.000 0.620 413 A CB -1.321 17.693 19.000 0.022 0.000 0.822 413 A HN 0.731 nan 8.150 nan 0.000 0.443 414 T N -2.716 111.872 114.554 0.056 0.000 3.023 414 T HA -0.025 4.324 4.350 -0.001 0.000 0.266 414 T C 1.803 176.552 174.700 0.082 0.000 1.093 414 T CA 1.154 63.304 62.100 0.082 0.000 1.129 414 T CB -0.171 68.774 68.868 0.128 0.000 0.899 414 T HN 0.553 nan 8.240 nan 0.000 0.491 415 Q N 0.407 120.245 119.800 0.065 0.000 2.119 415 Q HA -0.100 4.240 4.340 -0.001 0.000 0.201 415 Q C 2.468 178.488 176.000 0.033 0.000 0.972 415 Q CA 1.288 57.123 55.803 0.053 0.000 0.847 415 Q CB -0.145 28.616 28.738 0.038 0.000 0.903 415 Q HN 0.455 nan 8.270 nan 0.000 0.433 416 Q N 0.695 120.508 119.800 0.022 0.000 2.123 416 Q HA -0.077 4.263 4.340 -0.001 0.000 0.199 416 Q C 1.741 177.745 176.000 0.006 0.000 0.966 416 Q CA 1.230 57.034 55.803 0.001 0.000 0.845 416 Q CB -0.124 28.609 28.738 -0.008 0.000 0.907 416 Q HN 0.377 nan 8.270 nan 0.000 0.439 417 L N -0.394 120.850 121.223 0.034 0.000 2.083 417 L HA -0.169 4.170 4.340 -0.001 0.000 0.209 417 L C 2.247 179.183 176.870 0.110 0.000 1.083 417 L CA 0.968 55.845 54.840 0.061 0.000 0.752 417 L CB -0.421 41.682 42.059 0.074 0.000 0.899 417 L HN 0.274 nan 8.230 nan 0.000 0.433 418 L N -1.444 119.851 121.223 0.119 0.000 2.109 418 L HA -0.148 4.192 4.340 -0.001 0.000 0.207 418 L C 2.704 179.590 176.870 0.026 0.000 1.086 418 L CA 0.830 55.772 54.840 0.170 0.000 0.760 418 L CB -0.385 41.753 42.059 0.131 0.000 0.910 418 L HN 0.137 nan 8.230 nan 0.000 0.437 419 S N -0.450 115.245 115.700 -0.008 0.000 2.368 419 S HA -0.184 4.285 4.470 -0.001 0.000 0.224 419 S C 2.070 176.604 174.600 -0.109 0.000 1.029 419 S CA 1.194 59.360 58.200 -0.056 0.000 0.988 419 S CB -0.143 63.032 63.200 -0.042 0.000 0.838 419 S HN 0.244 nan 8.310 nan 0.000 0.462 420 R N 1.513 121.949 120.500 -0.105 0.000 2.092 420 R HA 0.015 4.354 4.340 -0.001 0.000 0.231 420 R C 2.107 178.269 176.300 -0.231 0.000 1.119 420 R CA 1.704 57.720 56.100 -0.139 0.000 0.970 420 R CB -1.274 28.966 30.300 -0.100 0.000 0.864 420 R HN 0.351 nan 8.270 nan 0.000 0.440 421 G N -0.273 108.333 108.800 -0.322 0.000 2.639 421 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.216 421 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.216 421 G C 1.021 175.346 174.900 -0.957 0.000 1.267 421 G CA 1.521 46.087 45.100 -0.889 0.000 0.801 421 G HN 0.266 nan 8.290 nan 0.000 0.592 422 V N -0.124 119.375 119.914 -0.691 0.000 3.592 422 V HA 0.216 4.335 4.120 -0.001 0.000 0.272 422 V C 2.407 178.361 176.094 -0.233 0.000 1.228 422 V CA 0.958 63.015 62.300 -0.405 0.000 1.173 422 V CB -0.458 31.270 31.823 -0.158 0.000 0.873 422 V HN 0.105 nan 8.190 nan 0.000 0.476 423 R N 0.585 120.947 120.500 -0.230 0.000 2.066 423 R HA 0.267 4.606 4.340 -0.001 0.000 0.224 423 R C 2.082 178.294 176.300 -0.147 0.000 1.122 423 R CA 1.132 57.134 56.100 -0.164 0.000 0.974 423 R CB -0.539 29.666 30.300 -0.157 0.000 0.871 423 R HN 0.436 nan 8.270 nan 0.000 0.435 424 L N -0.200 120.918 121.223 -0.174 0.000 2.141 424 L HA -0.133 4.207 4.340 -0.001 0.000 0.209 424 L C 1.897 178.704 176.870 -0.104 0.000 1.094 424 L CA 1.401 56.166 54.840 -0.126 0.000 0.763 424 L CB -0.586 41.398 42.059 -0.125 0.000 0.908 424 L HN 0.254 nan 8.230 nan 0.000 0.437 425 T N -0.970 113.495 114.554 -0.148 0.000 2.746 425 T HA -0.144 4.206 4.350 -0.001 0.000 0.267 425 T C 1.772 176.438 174.700 -0.057 0.000 1.039 425 T CA 1.060 63.105 62.100 -0.093 0.000 1.142 425 T CB -0.098 68.701 68.868 -0.114 0.000 0.866 425 T HN 0.275 nan 8.240 nan 0.000 0.444 426 E N 1.158 121.318 120.200 -0.066 0.000 2.150 426 E HA 0.020 4.369 4.350 -0.001 0.000 0.193 426 E C 2.134 178.724 176.600 -0.016 0.000 0.985 426 E CA 0.644 57.023 56.400 -0.035 0.000 0.814 426 E CB -0.332 29.347 29.700 -0.035 0.000 0.752 426 E HN 0.483 nan 8.360 nan 0.000 0.466 427 L N 0.264 121.474 121.223 -0.023 0.000 2.478 427 L HA -0.021 4.318 4.340 -0.001 0.000 0.223 427 L C 2.085 178.957 176.870 0.003 0.000 1.140 427 L CA 0.247 55.087 54.840 0.001 0.000 0.842 427 L CB -0.109 41.947 42.059 -0.005 0.000 0.953 427 L HN 0.045 nan 8.230 nan 0.000 0.452 428 L N -0.805 120.413 121.223 -0.008 0.000 2.567 428 L HA 0.056 4.395 4.340 -0.001 0.000 0.225 428 L C 0.808 177.673 176.870 -0.008 0.000 1.119 428 L CA 0.114 54.952 54.840 -0.003 0.000 0.871 428 L CB -0.025 42.033 42.059 -0.001 0.000 1.036 428 L HN 0.110 nan 8.230 nan 0.000 0.459 429 K N 1.126 121.518 120.400 -0.014 0.000 2.295 429 K HA 0.261 4.581 4.320 -0.001 0.000 0.270 429 K C -0.226 176.360 176.600 -0.023 0.000 1.011 429 K CA 0.178 56.449 56.287 -0.026 0.000 0.953 429 K CB 0.850 33.333 32.500 -0.029 0.000 0.956 429 K HN -0.042 nan 8.250 nan 0.000 0.477 430 Q N 0.393 120.169 119.800 -0.040 0.000 2.352 430 Q HA 0.293 4.633 4.340 -0.001 0.000 0.270 430 Q C -0.767 175.194 176.000 -0.064 0.000 1.006 430 Q CA -0.593 55.187 55.803 -0.040 0.000 0.880 430 Q CB 1.781 30.499 28.738 -0.033 0.000 1.392 430 Q HN 0.814 nan 8.270 nan 0.000 0.401 431 G N 1.511 110.276 108.800 -0.058 0.000 2.684 431 G HA2 0.143 4.102 3.960 -0.001 0.000 0.255 431 G HA3 0.143 4.102 3.960 -0.001 0.000 0.255 431 G C -0.678 174.143 174.900 -0.131 0.000 1.219 431 G CA -0.125 44.928 45.100 -0.078 0.000 0.901 431 G HN 0.590 nan 8.290 nan 0.000 0.548 432 Q N -1.414 118.256 119.800 -0.218 0.000 2.214 432 Q HA 0.408 4.748 4.340 -0.001 0.000 0.251 432 Q C -0.453 175.321 176.000 -0.376 0.000 0.936 432 Q CA -0.635 54.873 55.803 -0.491 0.000 0.894 432 Q CB 0.723 28.917 28.738 -0.906 0.000 1.252 432 Q HN 0.668 nan 8.270 nan 0.000 0.448 433 Y N -0.756 119.540 120.300 -0.007 0.000 4.907 433 Y HA -0.296 4.254 4.550 -0.001 0.000 0.246 433 Y C 0.048 175.937 175.900 -0.018 0.000 0.968 433 Y CA 0.505 58.597 58.100 -0.014 0.000 1.961 433 Y CB -2.010 36.441 38.460 -0.016 0.000 1.487 433 Y HN 0.497 nan 8.280 nan 0.000 0.575 434 S N -0.566 115.171 115.700 0.063 0.000 2.128 434 S HA 0.450 4.920 4.470 -0.001 0.000 0.157 434 S C -2.237 172.361 174.600 -0.003 0.000 1.650 434 S CA -1.162 57.055 58.200 0.028 0.000 1.269 434 S CB 1.056 64.266 63.200 0.017 0.000 1.227 434 S HN 0.097 nan 8.310 nan 0.000 0.405 435 P HA 0.197 nan 4.420 nan 0.000 0.267 435 P C -0.581 176.703 177.300 -0.027 0.000 1.200 435 P CA -0.065 63.028 63.100 -0.012 0.000 0.772 435 P CB 0.498 32.197 31.700 -0.001 0.000 0.855 436 M N 1.574 121.161 119.600 -0.022 0.000 2.363 436 M HA 0.463 4.943 4.480 -0.001 0.000 0.343 436 M C 0.552 176.835 176.300 -0.029 0.000 1.165 436 M CA -0.779 54.503 55.300 -0.030 0.000 1.046 436 M CB 1.772 34.362 32.600 -0.018 0.000 1.648 436 M HN 0.345 nan 8.290 nan 0.000 0.452 437 A N 1.959 124.749 122.820 -0.050 0.000 2.483 437 A HA 0.106 4.426 4.320 -0.001 0.000 0.238 437 A C 1.041 178.622 177.584 -0.004 0.000 1.070 437 A CA -0.286 51.727 52.037 -0.040 0.000 0.770 437 A CB -0.016 18.944 19.000 -0.067 0.000 1.008 437 A HN 0.980 nan 8.150 nan 0.000 0.497 438 I N 0.932 121.519 120.570 0.028 0.000 2.248 438 I HA -0.254 3.916 4.170 -0.001 0.000 0.248 438 I C 2.516 178.641 176.117 0.013 0.000 1.107 438 I CA 2.411 63.728 61.300 0.029 0.000 1.373 438 I CB -0.205 37.819 38.000 0.041 0.000 1.055 438 I HN 0.866 nan 8.210 nan 0.000 0.418 439 E N 0.236 120.435 120.200 -0.001 0.000 2.208 439 E HA -0.248 4.102 4.350 -0.001 0.000 0.193 439 E C 1.748 178.339 176.600 -0.016 0.000 0.988 439 E CA 1.424 57.815 56.400 -0.014 0.000 0.828 439 E CB -0.603 29.079 29.700 -0.029 0.000 0.763 439 E HN 0.642 nan 8.360 nan 0.000 0.478 440 E N 0.893 121.080 120.200 -0.022 0.000 2.107 440 E HA -0.120 4.229 4.350 -0.001 0.000 0.191 440 E C 2.317 178.929 176.600 0.019 0.000 0.982 440 E CA 0.928 57.314 56.400 -0.023 0.000 0.809 440 E CB -0.014 29.657 29.700 -0.049 0.000 0.756 440 E HN 0.376 nan 8.360 nan 0.000 0.459 441 Q N 0.372 120.185 119.800 0.022 0.000 2.020 441 Q HA -0.154 4.186 4.340 -0.001 0.000 0.202 441 Q C 2.617 178.655 176.000 0.064 0.000 0.982 441 Q CA 2.007 57.833 55.803 0.039 0.000 0.838 441 Q CB -0.309 28.447 28.738 0.030 0.000 0.899 441 Q HN 0.338 nan 8.270 nan 0.000 0.423 442 V N -1.860 118.088 119.914 0.057 0.000 2.626 442 V HA -0.077 4.043 4.120 -0.001 0.000 0.252 442 V C 2.112 178.284 176.094 0.129 0.000 1.067 442 V CA 1.579 63.926 62.300 0.078 0.000 1.081 442 V CB -1.052 30.799 31.823 0.046 0.000 0.686 442 V HN 0.274 nan 8.190 nan 0.000 0.468 443 A N 0.436 123.324 122.820 0.113 0.000 1.969 443 A HA -0.053 4.266 4.320 -0.001 0.000 0.218 443 A C 2.465 180.239 177.584 0.317 0.000 1.169 443 A CA 2.006 54.153 52.037 0.182 0.000 0.635 443 A CB -0.659 18.411 19.000 0.117 0.000 0.810 443 A HN 0.801 nan 8.150 nan 0.000 0.445 444 V N -0.371 119.690 119.914 0.244 0.000 2.407 444 V HA -0.106 4.013 4.120 -0.001 0.000 0.245 444 V C 2.123 178.298 176.094 0.135 0.000 1.041 444 V CA 1.810 64.231 62.300 0.201 0.000 1.040 444 V CB -0.395 31.530 31.823 0.170 0.000 0.671 444 V HN 0.512 nan 8.190 nan 0.000 0.455 445 I N -0.132 120.515 120.570 0.127 0.000 2.286 445 I HA -0.199 3.971 4.170 -0.001 0.000 0.248 445 I C 2.470 178.653 176.117 0.109 0.000 1.115 445 I CA 2.356 63.711 61.300 0.090 0.000 1.392 445 I CB -0.547 37.498 38.000 0.076 0.000 1.065 445 I HN 0.609 nan 8.210 nan 0.000 0.418 446 Y N 1.918 122.249 120.300 0.051 0.000 2.181 446 Y HA -0.240 4.310 4.550 -0.001 0.000 0.288 446 Y C 2.462 178.430 175.900 0.113 0.000 1.146 446 Y CA 1.338 59.480 58.100 0.069 0.000 1.164 446 Y CB -0.381 38.126 38.460 0.078 0.000 0.982 446 Y HN 0.073 nan 8.280 nan 0.000 0.515 447 A N 0.583 123.345 122.820 -0.097 0.000 1.933 447 A HA -0.055 4.265 4.320 -0.001 0.000 0.218 447 A C 2.398 179.918 177.584 -0.108 0.000 1.175 447 A CA 1.682 53.642 52.037 -0.127 0.000 0.628 447 A CB -1.613 17.361 19.000 -0.043 0.000 0.814 447 A HN 0.642 nan 8.150 nan 0.000 0.444 448 G N -1.061 107.676 108.800 -0.106 0.000 2.396 448 G HA2 0.036 3.995 3.960 -0.001 0.000 0.214 448 G HA3 0.036 3.995 3.960 -0.001 0.000 0.214 448 G C 1.485 176.287 174.900 -0.164 0.000 1.166 448 G CA 0.967 45.991 45.100 -0.126 0.000 0.793 448 G HN 0.265 nan 8.290 nan 0.000 0.533 449 V N 0.599 120.426 119.914 -0.145 0.000 2.307 449 V HA -0.064 4.055 4.120 -0.001 0.000 0.245 449 V C 2.665 178.632 176.094 -0.212 0.000 1.045 449 V CA 1.464 63.684 62.300 -0.134 0.000 1.024 449 V CB -0.327 31.462 31.823 -0.057 0.000 0.651 449 V HN 0.256 nan 8.190 nan 0.000 0.449 450 R N -0.036 120.261 120.500 -0.339 0.000 2.319 450 R HA 0.174 4.513 4.340 -0.001 0.000 0.204 450 R C 0.963 176.826 176.300 -0.728 0.000 0.954 450 R CA 0.615 56.434 56.100 -0.469 0.000 1.066 450 R CB -0.227 29.773 30.300 -0.501 0.000 0.991 450 R HN 0.584 nan 8.270 nan 0.000 0.486 451 G N 0.839 109.301 108.800 -0.564 0.000 2.587 451 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.245 451 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.245 451 G C -0.261 174.226 174.900 -0.688 0.000 0.959 451 G CA -0.284 44.519 45.100 -0.495 0.000 1.268 451 G HN 0.514 nan 8.290 nan 0.000 0.448 452 Y N -0.094 120.085 120.300 -0.202 0.000 2.666 452 Y HA 0.323 4.872 4.550 -0.001 0.000 0.260 452 Y C 1.899 177.675 175.900 -0.207 0.000 1.089 452 Y CA -0.277 57.713 58.100 -0.184 0.000 1.246 452 Y CB 0.721 39.061 38.460 -0.199 0.000 1.353 452 Y HN 0.403 nan 8.280 nan 0.000 0.558 453 L N -0.730 120.423 121.223 -0.118 0.000 3.016 453 L HA 0.255 4.594 4.340 -0.001 0.000 0.267 453 L C 0.186 176.956 176.870 -0.166 0.000 1.182 453 L CA 0.094 54.811 54.840 -0.206 0.000 0.997 453 L CB 0.313 42.203 42.059 -0.282 0.000 1.354 453 L HN 0.037 nan 8.230 nan 0.000 0.569 454 D N 0.824 121.143 120.400 -0.135 0.000 2.263 454 D HA -0.156 4.484 4.640 -0.001 0.000 0.208 454 D C 1.524 177.769 176.300 -0.091 0.000 0.971 454 D CA 0.978 54.909 54.000 -0.115 0.000 0.867 454 D CB 0.102 40.836 40.800 -0.111 0.000 0.929 454 D HN 0.096 nan 8.370 nan 0.000 0.492 455 K N -0.408 119.941 120.400 -0.085 0.000 2.374 455 K HA 0.233 4.553 4.320 -0.001 0.000 0.196 455 K C -0.259 176.301 176.600 -0.068 0.000 1.023 455 K CA -0.273 55.976 56.287 -0.063 0.000 1.103 455 K CB 0.465 32.937 32.500 -0.046 0.000 0.848 455 K HN 0.069 nan 8.250 nan 0.000 0.528 456 L N 1.749 122.911 121.223 -0.101 0.000 2.292 456 L HA 0.220 4.560 4.340 -0.001 0.000 0.284 456 L C -0.302 176.526 176.870 -0.071 0.000 1.065 456 L CA -0.626 54.153 54.840 -0.101 0.000 0.806 456 L CB 0.942 42.879 42.059 -0.205 0.000 1.175 456 L HN 0.014 nan 8.230 nan 0.000 0.431 457 E N 7.763 127.943 120.200 -0.032 0.000 2.585 457 E HA -0.002 4.347 4.350 -0.001 0.000 0.252 457 E C -1.851 174.741 176.600 -0.012 0.000 0.981 457 E CA -0.829 55.561 56.400 -0.017 0.000 0.943 457 E CB 0.634 30.334 29.700 0.000 0.000 0.923 457 E HN 0.469 nan 8.360 nan 0.000 0.486 458 P HA -0.330 nan 4.420 nan 0.000 0.219 458 P C 1.083 178.387 177.300 0.007 0.000 1.161 458 P CA 2.381 65.468 63.100 -0.022 0.000 0.909 458 P CB -0.267 31.421 31.700 -0.020 0.000 0.793 459 S N -1.149 114.563 115.700 0.021 0.000 2.500 459 S HA -0.107 4.362 4.470 -0.001 0.000 0.239 459 S C 1.566 176.215 174.600 0.081 0.000 0.989 459 S CA 1.006 59.230 58.200 0.040 0.000 0.951 459 S CB -0.846 62.373 63.200 0.031 0.000 0.759 459 S HN 0.278 nan 8.310 nan 0.000 0.523 460 K N 0.222 120.688 120.400 0.110 0.000 2.367 460 K HA 0.382 4.701 4.320 -0.001 0.000 0.194 460 K C 1.487 178.252 176.600 0.275 0.000 1.027 460 K CA 0.123 56.553 56.287 0.240 0.000 1.075 460 K CB -0.057 32.614 32.500 0.285 0.000 0.845 460 K HN 0.384 nan 8.250 nan 0.000 0.529 461 I N 1.707 122.356 120.570 0.132 0.000 2.226 461 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 461 I C 2.533 178.747 176.117 0.162 0.000 1.100 461 I CA 1.643 63.006 61.300 0.104 0.000 1.374 461 I CB -0.674 37.330 38.000 0.007 0.000 1.057 461 I HN 0.266 nan 8.210 nan 0.000 0.413 462 T N -1.122 113.501 114.554 0.115 0.000 2.746 462 T HA -0.259 4.090 4.350 -0.001 0.000 0.267 462 T C 1.904 176.665 174.700 0.102 0.000 1.039 462 T CA 1.306 63.460 62.100 0.089 0.000 1.142 462 T CB -0.325 68.577 68.868 0.057 0.000 0.866 462 T HN 0.275 nan 8.240 nan 0.000 0.444 463 K N -0.288 120.213 120.400 0.169 0.000 2.228 463 K HA 0.072 4.392 4.320 -0.001 0.000 0.202 463 K C 1.986 178.597 176.600 0.019 0.000 1.051 463 K CA 0.585 57.006 56.287 0.224 0.000 0.960 463 K CB -0.257 32.494 32.500 0.420 0.000 0.743 463 K HN 0.436 nan 8.250 nan 0.000 0.458 464 F N 2.005 121.728 119.950 -0.380 0.000 2.102 464 F HA -0.165 4.362 4.527 -0.001 0.000 0.298 464 F C 2.130 177.747 175.800 -0.306 0.000 1.105 464 F CA 1.684 59.149 58.000 -0.892 0.000 1.239 464 F CB -0.191 38.471 39.000 -0.564 0.000 0.991 464 F HN 0.066 nan 8.300 nan 0.000 0.474 465 E N 0.148 120.247 120.200 -0.168 0.000 2.077 465 E HA -0.301 4.048 4.350 -0.001 0.000 0.193 465 E C 2.007 178.528 176.600 -0.132 0.000 0.989 465 E CA 1.379 57.692 56.400 -0.145 0.000 0.800 465 E CB -0.388 29.349 29.700 0.060 0.000 0.746 465 E HN 0.523 nan 8.360 nan 0.000 0.452 466 N N 0.145 118.798 118.700 -0.080 0.000 2.069 466 N HA -0.197 4.542 4.740 -0.001 0.000 0.191 466 N C 1.614 177.090 175.510 -0.057 0.000 1.031 466 N CA 1.978 55.002 53.050 -0.043 0.000 0.852 466 N CB -0.196 38.299 38.487 0.013 0.000 1.018 466 N HN 0.205 nan 8.380 nan 0.000 0.423 467 A N -0.608 122.175 122.820 -0.061 0.000 1.897 467 A HA -0.042 4.277 4.320 -0.001 0.000 0.215 467 A C 2.122 179.685 177.584 -0.036 0.000 1.181 467 A CA 1.077 53.157 52.037 0.071 0.000 0.620 467 A CB -1.071 18.058 19.000 0.215 0.000 0.821 467 A HN 0.498 nan 8.150 nan 0.000 0.443 468 F N 0.130 119.700 119.950 -0.633 0.000 2.102 468 F HA -0.117 4.410 4.527 -0.001 0.000 0.298 468 F C 1.788 177.273 175.800 -0.526 0.000 1.105 468 F CA 1.672 59.011 58.000 -1.103 0.000 1.239 468 F CB -0.358 37.790 39.000 -1.419 0.000 0.991 468 F HN 0.170 nan 8.300 nan 0.000 0.474 469 L N 0.004 120.943 121.223 -0.473 0.000 2.056 469 L HA -0.158 4.182 4.340 -0.001 0.000 0.207 469 L C 2.536 179.215 176.870 -0.319 0.000 1.078 469 L CA 1.980 56.568 54.840 -0.420 0.000 0.749 469 L CB -1.049 40.901 42.059 -0.181 0.000 0.901 469 L HN 0.120 nan 8.230 nan 0.000 0.433 470 S N -1.616 113.971 115.700 -0.189 0.000 2.383 470 S HA -0.280 4.190 4.470 -0.001 0.000 0.229 470 S C 1.944 176.487 174.600 -0.094 0.000 1.030 470 S CA 1.485 59.623 58.200 -0.103 0.000 1.002 470 S CB -0.585 62.601 63.200 -0.023 0.000 0.829 470 S HN 0.669 nan 8.310 nan 0.000 0.467 471 H N 1.679 120.613 119.070 -0.227 0.000 2.357 471 H HA -0.021 4.534 4.556 -0.001 0.000 0.301 471 H C 2.020 177.217 175.328 -0.218 0.000 1.082 471 H CA 1.869 57.812 56.048 -0.174 0.000 1.342 471 H CB -0.413 29.273 29.762 -0.127 0.000 1.389 471 H HN 0.245 nan 8.280 nan 0.000 0.511 472 V N -1.140 118.450 119.914 -0.539 0.000 2.379 472 V HA -0.099 4.021 4.120 -0.001 0.000 0.245 472 V C 2.479 178.384 176.094 -0.314 0.000 1.044 472 V CA 1.705 63.722 62.300 -0.471 0.000 1.036 472 V CB -0.841 30.601 31.823 -0.635 0.000 0.664 472 V HN 0.391 nan 8.190 nan 0.000 0.453 473 I N 1.157 121.558 120.570 -0.282 0.000 2.163 473 I HA -0.237 3.933 4.170 -0.001 0.000 0.243 473 I C 2.939 178.951 176.117 -0.176 0.000 1.085 473 I CA 2.213 63.396 61.300 -0.195 0.000 1.347 473 I CB -0.433 37.472 38.000 -0.159 0.000 1.044 473 I HN 0.447 nan 8.210 nan 0.000 0.408 474 S N -0.474 115.116 115.700 -0.182 0.000 2.387 474 S HA -0.130 4.339 4.470 -0.001 0.000 0.226 474 S C 1.923 176.397 174.600 -0.211 0.000 1.026 474 S CA 1.153 59.261 58.200 -0.155 0.000 0.972 474 S CB 0.093 63.233 63.200 -0.101 0.000 0.814 474 S HN 0.368 nan 8.310 nan 0.000 0.477 475 Q N -0.536 119.056 119.800 -0.346 0.000 2.391 475 Q HA 0.206 4.545 4.340 -0.001 0.000 0.243 475 Q C -0.007 175.596 176.000 -0.662 0.000 0.874 475 Q CA 0.595 56.091 55.803 -0.513 0.000 0.950 475 Q CB 0.165 28.502 28.738 -0.669 0.000 1.103 475 Q HN 0.691 nan 8.270 nan 0.000 0.544 476 H N -0.008 118.895 119.070 -0.277 0.000 2.500 476 H HA 0.206 4.762 4.556 -0.001 0.000 0.243 476 H C 0.875 176.094 175.328 -0.182 0.000 1.318 476 H CA -0.129 55.788 56.048 -0.218 0.000 1.077 476 H CB 0.859 30.472 29.762 -0.248 0.000 1.748 476 H HN -0.034 nan 8.280 nan 0.000 0.556 477 Q N 1.192 120.934 119.800 -0.096 0.000 2.167 477 Q HA -0.034 4.306 4.340 -0.001 0.000 0.202 477 Q C 2.201 178.166 176.000 -0.058 0.000 0.970 477 Q CA 1.390 57.142 55.803 -0.085 0.000 0.855 477 Q CB 0.053 28.735 28.738 -0.092 0.000 0.911 477 Q HN 0.647 nan 8.270 nan 0.000 0.438 478 A N 0.248 123.041 122.820 -0.045 0.000 1.933 478 A HA -0.170 4.150 4.320 -0.001 0.000 0.218 478 A C 2.021 179.588 177.584 -0.027 0.000 1.175 478 A CA 1.289 53.308 52.037 -0.030 0.000 0.628 478 A CB -0.759 18.229 19.000 -0.019 0.000 0.814 478 A HN 0.503 nan 8.150 nan 0.000 0.444 479 L N -0.671 120.541 121.223 -0.018 0.000 2.027 479 L HA -0.115 4.224 4.340 -0.001 0.000 0.206 479 L C 2.448 179.280 176.870 -0.063 0.000 1.074 479 L CA 1.431 56.245 54.840 -0.044 0.000 0.745 479 L CB -0.316 41.707 42.059 -0.059 0.000 0.898 479 L HN 0.425 nan 8.230 nan 0.000 0.433 480 L N -0.321 120.862 121.223 -0.066 0.000 2.141 480 L HA -0.175 4.165 4.340 -0.001 0.000 0.209 480 L C 3.015 179.850 176.870 -0.057 0.000 1.094 480 L CA 1.235 56.033 54.840 -0.071 0.000 0.763 480 L CB -0.844 41.164 42.059 -0.085 0.000 0.908 480 L HN 0.379 nan 8.230 nan 0.000 0.437 481 S N 0.466 116.135 115.700 -0.051 0.000 2.382 481 S HA -0.209 4.260 4.470 -0.001 0.000 0.228 481 S C 2.131 176.708 174.600 -0.038 0.000 1.027 481 S CA 1.446 59.621 58.200 -0.042 0.000 0.991 481 S CB -0.248 nan 63.200 nan 0.000 0.823 481 S HN 0.306 nan 8.310 nan 0.000 0.469 482 K N 0.344 120.719 120.400 -0.042 0.000 2.147 482 K HA 0.055 4.375 4.320 -0.001 0.000 0.205 482 K C 1.653 178.226 176.600 -0.046 0.000 1.049 482 K CA 1.326 57.588 56.287 -0.041 0.000 0.936 482 K CB -0.319 32.154 32.500 -0.045 0.000 0.722 482 K HN 0.555 nan 8.250 nan 0.000 0.446 483 I N 0.070 120.607 120.570 -0.054 0.000 2.761 483 I HA -0.162 4.008 4.170 -0.001 0.000 0.261 483 I C 2.457 178.552 176.117 -0.037 0.000 1.198 483 I CA 0.732 61.999 61.300 -0.055 0.000 1.482 483 I CB -0.091 37.868 38.000 -0.068 0.000 1.100 483 I HN 0.094 nan 8.210 nan 0.000 0.445 484 R N 0.691 121.172 120.500 -0.032 0.000 2.087 484 R HA -0.034 4.306 4.340 -0.001 0.000 0.216 484 R C 2.226 178.515 176.300 -0.018 0.000 1.114 484 R CA 1.362 57.450 56.100 -0.021 0.000 1.002 484 R CB -0.143 30.145 30.300 -0.019 0.000 0.903 484 R HN 0.138 nan 8.270 nan 0.000 0.445 485 T N 0.754 115.295 114.554 -0.021 0.000 2.788 485 T HA -0.077 4.272 4.350 -0.001 0.000 0.268 485 T C 0.556 175.246 174.700 -0.017 0.000 1.044 485 T CA 1.684 63.773 62.100 -0.018 0.000 1.139 485 T CB -0.153 68.704 68.868 -0.019 0.000 0.867 485 T HN 0.335 nan 8.240 nan 0.000 0.454 486 D N 0.009 120.397 120.400 -0.021 0.000 2.367 486 D HA 0.300 4.940 4.640 -0.001 0.000 0.207 486 D C 1.482 177.771 176.300 -0.019 0.000 1.034 486 D CA 0.545 54.533 54.000 -0.020 0.000 0.861 486 D CB -0.187 40.599 40.800 -0.024 0.000 0.943 486 D HN 0.394 nan 8.370 nan 0.000 0.515 487 G N 1.226 110.015 108.800 -0.020 0.000 2.198 487 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.260 487 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.260 487 G C 0.181 175.071 174.900 -0.017 0.000 1.025 487 G CA 1.012 46.102 45.100 -0.017 0.000 0.769 487 G HN 0.575 nan 8.290 nan 0.000 0.507 488 K N -2.093 118.292 120.400 -0.025 0.000 2.809 488 K HA 0.610 4.930 4.320 -0.001 0.000 0.293 488 K C -0.993 175.576 176.600 -0.051 0.000 1.061 488 K CA -1.357 54.913 56.287 -0.028 0.000 0.837 488 K CB 0.607 33.097 32.500 -0.017 0.000 1.524 488 K HN 0.174 nan 8.250 nan 0.000 0.370 489 I N 2.969 123.499 120.570 -0.066 0.000 2.291 489 I HA 0.156 4.326 4.170 -0.001 0.000 0.290 489 I C 0.417 176.487 176.117 -0.079 0.000 1.050 489 I CA -0.443 60.785 61.300 -0.120 0.000 1.245 489 I CB 1.366 39.227 38.000 -0.230 0.000 1.405 489 I HN 0.773 nan 8.210 nan 0.000 0.478 490 S N 3.753 119.412 115.700 -0.068 0.000 2.640 490 S HA 0.225 4.695 4.470 -0.001 0.000 0.262 490 S C 0.981 175.563 174.600 -0.030 0.000 1.232 490 S CA -0.401 57.777 58.200 -0.037 0.000 0.988 490 S CB 1.111 64.293 63.200 -0.031 0.000 1.034 490 S HN 0.568 nan 8.310 nan 0.000 0.569 491 E N 0.412 120.607 120.200 -0.008 0.000 2.106 491 E HA -0.072 4.278 4.350 -0.001 0.000 0.192 491 E C 1.966 178.566 176.600 -0.001 0.000 0.984 491 E CA 1.398 57.803 56.400 0.008 0.000 0.806 491 E CB -0.250 29.459 29.700 0.016 0.000 0.750 491 E HN 0.806 nan 8.360 nan 0.000 0.458 492 E N -0.064 120.128 120.200 -0.013 0.000 2.051 492 E HA -0.164 4.186 4.350 -0.001 0.000 0.192 492 E C 1.855 178.432 176.600 -0.039 0.000 0.991 492 E CA 1.303 57.692 56.400 -0.018 0.000 0.799 492 E CB 0.034 29.723 29.700 -0.018 0.000 0.748 492 E HN 0.100 nan 8.360 nan 0.000 0.449 493 S N 0.615 116.277 115.700 -0.063 0.000 2.382 493 S HA -0.189 4.281 4.470 -0.001 0.000 0.228 493 S C 1.566 176.079 174.600 -0.144 0.000 1.027 493 S CA 1.422 59.556 58.200 -0.110 0.000 0.991 493 S CB -0.337 62.781 63.200 -0.137 0.000 0.823 493 S HN 0.408 nan 8.310 nan 0.000 0.469 494 D N 1.514 121.847 120.400 -0.111 0.000 2.117 494 D HA -0.063 4.576 4.640 -0.001 0.000 0.197 494 D C 1.927 178.258 176.300 0.052 0.000 0.987 494 D CA 1.335 55.315 54.000 -0.034 0.000 0.829 494 D CB -0.288 40.561 40.800 0.081 0.000 0.961 494 D HN 0.311 nan 8.370 nan 0.000 0.460 495 A N 0.225 123.059 122.820 0.024 0.000 1.898 495 A HA -0.149 4.171 4.320 -0.001 0.000 0.216 495 A C 2.181 179.759 177.584 -0.010 0.000 1.181 495 A CA 1.704 53.755 52.037 0.024 0.000 0.620 495 A CB -0.649 18.363 19.000 0.019 0.000 0.819 495 A HN 0.256 nan 8.150 nan 0.000 0.442 496 K N -0.559 119.818 120.400 -0.039 0.000 2.057 496 K HA 0.020 4.340 4.320 -0.001 0.000 0.206 496 K C 1.848 178.390 176.600 -0.097 0.000 1.050 496 K CA 1.077 57.322 56.287 -0.070 0.000 0.935 496 K CB -0.252 32.196 32.500 -0.087 0.000 0.715 496 K HN 0.437 nan 8.250 nan 0.000 0.439 497 L N 0.895 122.068 121.223 -0.084 0.000 2.141 497 L HA -0.156 4.184 4.340 -0.001 0.000 0.209 497 L C 2.515 179.332 176.870 -0.087 0.000 1.094 497 L CA 1.165 55.983 54.840 -0.036 0.000 0.763 497 L CB -0.207 41.851 42.059 -0.001 0.000 0.908 497 L HN 0.199 nan 8.230 nan 0.000 0.437 498 K N -0.201 120.116 120.400 -0.138 0.000 2.026 498 K HA -0.196 4.124 4.320 -0.001 0.000 0.208 498 K C 2.010 178.513 176.600 -0.162 0.000 1.048 498 K CA 1.338 57.435 56.287 -0.317 0.000 0.929 498 K CB 0.094 32.521 32.500 -0.122 0.000 0.713 498 K HN 0.171 nan 8.250 nan 0.000 0.439 499 E N 0.730 120.893 120.200 -0.061 0.000 2.085 499 E HA -0.202 4.147 4.350 -0.001 0.000 0.194 499 E C 2.137 178.756 176.600 0.031 0.000 0.994 499 E CA 1.337 57.734 56.400 -0.006 0.000 0.801 499 E CB -0.247 29.457 29.700 0.007 0.000 0.743 499 E HN 0.455 nan 8.360 nan 0.000 0.453 500 I N 0.523 121.102 120.570 0.015 0.000 2.202 500 I HA -0.211 3.959 4.170 -0.001 0.000 0.242 500 I C 2.493 178.740 176.117 0.216 0.000 1.091 500 I CA 0.646 62.013 61.300 0.112 0.000 1.368 500 I CB -0.267 37.727 38.000 -0.011 0.000 1.058 500 I HN -0.086 nan 8.210 nan 0.000 0.410 501 V N 0.989 120.958 119.914 0.092 0.000 2.270 501 V HA -0.278 3.841 4.120 -0.001 0.000 0.245 501 V C 2.765 178.938 176.094 0.133 0.000 1.043 501 V CA 2.593 64.921 62.300 0.048 0.000 1.014 501 V CB -1.173 30.527 31.823 -0.205 0.000 0.645 501 V HN 0.636 nan 8.190 nan 0.000 0.447 502 T N -1.297 113.277 114.554 0.034 0.000 2.708 502 T HA -0.221 4.128 4.350 -0.001 0.000 0.266 502 T C 1.721 176.493 174.700 0.121 0.000 1.037 502 T CA 1.757 63.897 62.100 0.067 0.000 1.146 502 T CB -0.568 68.324 68.868 0.039 0.000 0.865 502 T HN 0.431 nan 8.240 nan 0.000 0.435 503 N N 0.481 119.262 118.700 0.135 0.000 2.244 503 N HA 0.011 4.751 4.740 -0.001 0.000 0.183 503 N C 1.536 177.156 175.510 0.184 0.000 1.016 503 N CA 0.940 54.072 53.050 0.137 0.000 0.866 503 N CB -0.420 38.141 38.487 0.124 0.000 0.980 503 N HN 0.457 nan 8.380 nan 0.000 0.430 504 F N 1.440 121.466 119.950 0.128 0.000 2.206 504 F HA -0.051 4.476 4.527 -0.001 0.000 0.298 504 F C 2.188 178.146 175.800 0.264 0.000 1.090 504 F CA 0.446 58.548 58.000 0.169 0.000 1.323 504 F CB -0.099 39.032 39.000 0.217 0.000 1.028 504 F HN -0.102 nan 8.300 nan 0.000 0.492 505 L N 0.451 121.950 121.223 0.459 0.000 2.046 505 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 505 L C 2.486 179.468 176.870 0.187 0.000 1.077 505 L CA 2.021 57.057 54.840 0.327 0.000 0.747 505 L CB -1.096 41.030 42.059 0.112 0.000 0.896 505 L HN 0.132 nan 8.230 nan 0.000 0.432 506 A N -0.853 122.035 122.820 0.115 0.000 1.930 506 A HA -0.056 4.264 4.320 -0.001 0.000 0.217 506 A C 2.302 179.902 177.584 0.027 0.000 1.175 506 A CA 1.449 53.521 52.037 0.057 0.000 0.627 506 A CB -1.438 17.587 19.000 0.042 0.000 0.815 506 A HN 0.517 nan 8.150 nan 0.000 0.443 507 G N -1.736 107.064 108.800 -0.001 0.000 2.403 507 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.216 507 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.216 507 G C 1.415 176.281 174.900 -0.057 0.000 1.154 507 G CA 1.028 46.088 45.100 -0.068 0.000 0.784 507 G HN 0.474 nan 8.290 nan 0.000 0.538 508 F N 2.131 121.989 119.950 -0.153 0.000 2.293 508 F HA 0.055 4.582 4.527 -0.001 0.000 0.297 508 F C 2.720 178.517 175.800 -0.005 0.000 1.089 508 F CA 1.526 59.480 58.000 -0.076 0.000 1.377 508 F CB 0.055 39.097 39.000 0.070 0.000 1.051 508 F HN 0.396 nan 8.300 nan 0.000 0.511 509 E N 0.542 120.773 120.200 0.052 0.000 2.482 509 E HA 0.136 4.486 4.350 -0.001 0.000 0.196 509 E C 1.094 177.638 176.600 -0.094 0.000 1.047 509 E CA 0.378 56.764 56.400 -0.024 0.000 0.869 509 E CB -0.262 29.465 29.700 0.045 0.000 0.836 509 E HN 0.310 nan 8.360 nan 0.000 0.520 510 A N 0.000 122.756 122.820 -0.107 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 510 A CA 0.000 51.979 52.037 -0.097 0.000 0.836 510 A CB 0.000 18.951 19.000 -0.081 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486