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 2w6f_1_B DATA FIRST_RESID 24 DATA SEQUENCE DLEETGRVLS IGDGIARVHG LRNVQAEEMV EFSSGLKGMS LNLEPDNVGV DATA SEQUENCE VVFGNDKLIK EGDIVKRTGA IVDVPVGEEL LGRVVDALGN AIDGKGPIGS DATA SEQUENCE KARRRVGLKA PGIIPRISVR EPMQTGIKAV DSLVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTSIAIDTI INQKRFNDGT DEKKKLYCIY VAIGQKRSTV AQLVKRLTDA DATA SEQUENCE DAMKYTIVVS ATASDAAPLQ YLAPYSGCSM GEYFRDNGKH ALIIYDDLSK DATA SEQUENCE QAVAYRQMSL LLRRPPGREA YPGDVFYLHS RLLERAAKMN DAFGGGSLTA DATA SEQUENCE LPVIETQAGD VSAYIPTNVI SITDGQIFLE TELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQTRAM KQVAGTMKLE LAQYREVAXX XXXXXXLDAA TQQLLSRGVR DATA SEQUENCE LTELLKQGQY SPMAIEEQVA VIYAGVRGYL DKLEPSKITK FENAFLSHVI DATA SEQUENCE 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 0.000 176.284 176.300 -0.027 0.000 2.045 24 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 24 D CB 0.000 40.791 40.800 -0.014 0.000 0.688 25 L N 2.660 123.861 121.223 -0.038 0.000 2.653 25 L HA 0.215 4.569 4.340 0.022 0.000 0.231 25 L C 1.581 178.404 176.870 -0.078 0.000 1.153 25 L CA 0.048 54.843 54.840 -0.076 0.000 0.933 25 L CB 0.313 42.310 42.059 -0.104 0.000 1.175 25 L HN 0.329 nan 8.230 nan 0.000 0.473 26 E N 0.210 120.378 120.200 -0.052 0.000 2.166 26 E HA -0.006 4.357 4.350 0.022 0.000 0.192 26 E C 1.037 177.610 176.600 -0.045 0.000 0.967 26 E CA 0.722 57.094 56.400 -0.046 0.000 0.840 26 E CB 0.542 30.223 29.700 -0.032 0.000 0.795 26 E HN 0.401 nan 8.360 nan 0.000 0.470 27 E N 0.419 120.594 120.200 -0.042 0.000 2.562 27 E HA 0.168 4.531 4.350 0.022 0.000 0.214 27 E C 0.078 176.648 176.600 -0.050 0.000 0.979 27 E CA 0.186 56.560 56.400 -0.042 0.000 1.002 27 E CB 1.450 31.130 29.700 -0.032 0.000 1.048 27 E HN -0.010 nan 8.360 nan 0.000 0.488 28 T N -0.259 114.263 114.554 -0.053 0.000 2.887 28 T HA 0.725 5.088 4.350 0.022 0.000 0.292 28 T C -0.159 174.504 174.700 -0.063 0.000 1.087 28 T CA -0.678 61.389 62.100 -0.054 0.000 1.009 28 T CB 2.280 71.127 68.868 -0.035 0.000 1.203 28 T HN 0.109 nan 8.240 nan 0.000 0.518 29 G N 0.411 109.181 108.800 -0.051 0.000 2.718 29 G HA2 0.637 4.610 3.960 0.022 0.000 0.295 29 G HA3 0.637 4.610 3.960 0.022 0.000 0.295 29 G C -1.734 173.179 174.900 0.020 0.000 1.421 29 G CA -0.828 44.251 45.100 -0.034 0.000 0.902 29 G HN 0.542 nan 8.290 nan 0.000 0.501 30 R N 0.525 121.069 120.500 0.074 0.000 2.445 30 R HA 0.489 4.842 4.340 0.022 0.000 0.308 30 R C -0.318 176.053 176.300 0.119 0.000 0.961 30 R CA -0.729 55.428 56.100 0.095 0.000 0.862 30 R CB 2.427 32.785 30.300 0.097 0.000 1.144 30 R HN 0.341 nan 8.270 nan 0.000 0.447 31 V N 5.115 125.102 119.914 0.122 0.000 2.599 31 V HA -0.066 4.067 4.120 0.022 0.000 0.300 31 V C 1.622 177.770 176.094 0.089 0.000 1.034 31 V CA 0.571 62.947 62.300 0.127 0.000 1.115 31 V CB 0.504 32.408 31.823 0.136 0.000 0.934 31 V HN 0.742 nan 8.190 nan 0.000 0.485 32 L N 3.630 124.902 121.223 0.082 0.000 2.298 32 L HA 0.180 4.533 4.340 0.022 0.000 0.209 32 L C 0.747 177.634 176.870 0.028 0.000 1.084 32 L CA 0.859 55.727 54.840 0.047 0.000 0.816 32 L CB 0.254 42.339 42.059 0.043 0.000 0.967 32 L HN 0.878 nan 8.230 nan 0.000 0.460 33 S N -0.847 114.872 115.700 0.032 0.000 2.579 33 S HA 0.471 4.955 4.470 0.022 0.000 0.290 33 S C -1.226 173.377 174.600 0.005 0.000 1.123 33 S CA -0.872 57.336 58.200 0.013 0.000 0.894 33 S CB 1.762 64.966 63.200 0.006 0.000 1.095 33 S HN -0.017 nan 8.310 nan 0.000 0.450 34 I N 1.617 122.179 120.570 -0.014 0.000 2.530 34 I HA 0.974 5.157 4.170 0.022 0.000 0.297 34 I C -0.023 176.070 176.117 -0.038 0.000 1.011 34 I CA 0.136 61.412 61.300 -0.040 0.000 1.107 34 I CB 1.573 39.529 38.000 -0.074 0.000 1.285 34 I HN 1.433 nan 8.210 nan 0.000 0.436 35 G N 4.863 113.636 108.800 -0.045 0.000 2.380 35 G HA2 0.314 4.287 3.960 0.022 0.000 0.305 35 G HA3 0.314 4.287 3.960 0.022 0.000 0.305 35 G C -1.131 173.745 174.900 -0.040 0.000 1.672 35 G CA -0.550 44.527 45.100 -0.038 0.000 0.904 35 G HN 0.719 nan 8.290 nan 0.000 0.686 36 D N 0.130 120.506 120.400 -0.039 0.000 2.772 36 D HA -0.179 4.474 4.640 0.022 0.000 0.233 36 D C 1.629 177.901 176.300 -0.047 0.000 1.143 36 D CA 2.634 56.611 54.000 -0.039 0.000 0.700 36 D CB -1.080 39.698 40.800 -0.037 0.000 1.076 36 D HN 2.291 nan 8.370 nan 0.000 0.430 37 G N -0.277 108.488 108.800 -0.057 0.000 2.296 37 G HA2 -0.305 3.668 3.960 0.022 0.000 0.282 37 G HA3 -0.305 3.668 3.960 0.022 0.000 0.282 37 G C 0.287 175.139 174.900 -0.079 0.000 1.014 37 G CA 0.481 45.538 45.100 -0.073 0.000 0.812 37 G HN 0.535 nan 8.290 nan 0.000 0.508 38 I N 0.650 121.182 120.570 -0.063 0.000 2.439 38 I HA 0.579 4.762 4.170 0.022 0.000 0.285 38 I C 0.443 176.541 176.117 -0.031 0.000 1.021 38 I CA -0.741 60.532 61.300 -0.046 0.000 1.091 38 I CB 1.452 39.432 38.000 -0.034 0.000 1.242 38 I HN 0.260 nan 8.210 nan 0.000 0.439 39 A N 8.037 130.851 122.820 -0.010 0.000 2.290 39 A HA 0.666 4.999 4.320 0.022 0.000 0.310 39 A C -0.053 177.573 177.584 0.069 0.000 1.202 39 A CA -0.660 51.393 52.037 0.026 0.000 0.837 39 A CB 0.620 19.649 19.000 0.047 0.000 1.139 39 A HN 0.567 nan 8.150 nan 0.000 0.509 40 R N 2.576 123.111 120.500 0.059 0.000 2.233 40 R HA 0.360 4.713 4.340 0.022 0.000 0.334 40 R C -0.813 175.542 176.300 0.091 0.000 1.037 40 R CA -0.289 55.849 56.100 0.064 0.000 0.920 40 R CB 0.662 30.987 30.300 0.042 0.000 1.137 40 R HN 0.480 nan 8.270 nan 0.000 0.492 41 V N 2.758 122.733 119.914 0.103 0.000 2.686 41 V HA 0.127 4.260 4.120 0.022 0.000 0.295 41 V C 0.172 176.337 176.094 0.118 0.000 1.057 41 V CA -0.688 61.678 62.300 0.110 0.000 1.012 41 V CB 1.267 33.137 31.823 0.079 0.000 1.006 41 V HN 0.617 nan 8.190 nan 0.000 0.477 42 H N 1.864 120.949 119.070 0.025 0.000 2.476 42 H HA 0.682 5.250 4.556 0.020 0.000 0.328 42 H C 0.257 175.590 175.328 0.008 0.000 1.073 42 H CA 0.748 56.805 56.048 0.015 0.000 1.229 42 H CB 0.954 30.725 29.762 0.015 0.000 1.432 42 H HN 1.033 nan 8.280 nan 0.000 0.477 43 G N 3.095 111.558 108.800 -0.561 0.000 2.443 43 G HA2 -0.171 3.802 3.960 0.022 0.000 0.209 43 G HA3 -0.171 3.802 3.960 0.022 0.000 0.209 43 G C -0.235 174.555 174.900 -0.182 0.000 1.176 43 G CA -0.465 44.396 45.100 -0.399 0.000 1.074 43 G HN 1.206 nan 8.290 nan 0.000 0.577 44 L N -0.525 120.623 121.223 -0.125 0.000 3.678 44 L HA -0.225 4.128 4.340 0.022 0.000 0.425 44 L C 2.017 178.844 176.870 -0.072 0.000 1.240 44 L CA 1.069 55.859 54.840 -0.083 0.000 0.876 44 L CB -0.785 41.231 42.059 -0.072 0.000 1.766 44 L HN 0.680 nan 8.230 nan 0.000 0.917 45 R N -0.508 119.945 120.500 -0.079 0.000 2.293 45 R HA -0.096 4.257 4.340 0.022 0.000 0.219 45 R C 1.430 177.706 176.300 -0.039 0.000 1.091 45 R CA 1.292 57.357 56.100 -0.059 0.000 1.004 45 R CB -0.159 30.107 30.300 -0.056 0.000 0.865 45 R HN 0.464 nan 8.270 nan 0.000 0.469 46 N N -0.319 118.358 118.700 -0.038 0.000 2.205 46 N HA 0.028 4.781 4.740 0.022 0.000 0.201 46 N C -0.280 175.215 175.510 -0.024 0.000 1.128 46 N CA 0.059 53.092 53.050 -0.027 0.000 0.867 46 N CB 0.638 39.109 38.487 -0.026 0.000 0.996 46 N HN -0.053 nan 8.380 nan 0.000 0.503 47 V N 0.351 120.249 119.914 -0.028 0.000 2.901 47 V HA 0.032 4.165 4.120 0.022 0.000 0.307 47 V C 0.597 176.684 176.094 -0.010 0.000 1.084 47 V CA -0.353 61.934 62.300 -0.021 0.000 1.184 47 V CB 0.220 32.029 31.823 -0.022 0.000 0.941 47 V HN 0.095 nan 8.190 nan 0.000 0.493 48 Q N 1.712 121.509 119.800 -0.004 0.000 2.193 48 Q HA 0.705 5.058 4.340 0.022 0.000 0.246 48 Q C 0.097 176.103 176.000 0.009 0.000 0.959 48 Q CA -0.515 55.289 55.803 0.002 0.000 0.904 48 Q CB 1.410 30.150 28.738 0.003 0.000 1.238 48 Q HN 1.070 nan 8.270 nan 0.000 0.469 49 A N 1.257 124.085 122.820 0.013 0.000 2.450 49 A HA 0.159 4.492 4.320 0.022 0.000 0.255 49 A C -0.125 177.476 177.584 0.028 0.000 1.096 49 A CA 0.110 52.160 52.037 0.021 0.000 0.778 49 A CB -0.223 18.791 19.000 0.022 0.000 1.031 49 A HN 0.917 nan 8.150 nan 0.000 0.494 50 E N -0.559 119.665 120.200 0.040 0.000 3.303 50 E HA -0.176 4.187 4.350 0.022 0.000 0.302 50 E C 0.085 176.719 176.600 0.057 0.000 0.902 50 E CA 1.137 57.571 56.400 0.056 0.000 1.042 50 E CB -1.343 28.384 29.700 0.046 0.000 1.528 50 E HN 0.913 nan 8.360 nan 0.000 0.424 51 E N 0.491 120.718 120.200 0.045 0.000 2.313 51 E HA 0.270 4.633 4.350 0.022 0.000 0.272 51 E C 0.102 176.737 176.600 0.059 0.000 1.038 51 E CA -0.620 55.802 56.400 0.037 0.000 0.863 51 E CB 0.737 30.446 29.700 0.014 0.000 1.060 51 E HN -0.038 nan 8.360 nan 0.000 0.402 52 M N 3.626 123.263 119.600 0.061 0.000 2.228 52 M HA 0.130 4.623 4.480 0.022 0.000 0.351 52 M C -0.202 176.116 176.300 0.030 0.000 1.233 52 M CA -0.075 55.278 55.300 0.088 0.000 1.129 52 M CB 0.756 33.393 32.600 0.061 0.000 1.604 52 M HN 0.500 nan 8.290 nan 0.000 0.457 53 V N 1.492 121.410 119.914 0.007 0.000 3.155 53 V HA 0.707 4.840 4.120 0.022 0.000 0.313 53 V C -0.723 175.268 176.094 -0.172 0.000 1.162 53 V CA -0.860 61.371 62.300 -0.115 0.000 1.048 53 V CB 2.520 34.229 31.823 -0.191 0.000 1.092 53 V HN 0.816 nan 8.190 nan 0.000 0.447 54 E N 0.627 120.670 120.200 -0.261 0.000 2.248 54 E HA 0.542 4.905 4.350 0.022 0.000 0.267 54 E C -1.865 174.526 176.600 -0.348 0.000 0.877 54 E CA -0.412 55.868 56.400 -0.199 0.000 0.759 54 E CB 2.530 32.192 29.700 -0.063 0.000 1.182 54 E HN 0.630 nan 8.360 nan 0.000 0.418 55 F N 0.602 120.575 119.950 0.039 0.000 2.377 55 F HA 0.114 4.650 4.527 0.016 0.000 0.328 55 F C 1.868 177.684 175.800 0.026 0.000 1.094 55 F CA -0.189 57.829 58.000 0.031 0.000 1.093 55 F CB 1.365 40.384 39.000 0.032 0.000 1.214 55 F HN 0.433 nan 8.300 nan 0.000 0.518 56 S N 0.436 116.254 115.700 0.197 0.000 2.409 56 S HA -0.239 4.244 4.470 0.022 0.000 0.237 56 S C 1.669 176.335 174.600 0.109 0.000 1.060 56 S CA 1.955 60.225 58.200 0.116 0.000 1.052 56 S CB -0.543 62.717 63.200 0.100 0.000 0.871 56 S HN 0.691 nan 8.310 nan 0.000 0.465 57 S N 0.374 116.157 115.700 0.139 0.000 2.743 57 S HA 0.429 4.912 4.470 0.022 0.000 0.230 57 S C 1.258 175.923 174.600 0.109 0.000 0.950 57 S CA 0.322 58.583 58.200 0.102 0.000 0.976 57 S CB -0.255 62.993 63.200 0.081 0.000 0.779 57 S HN 0.760 nan 8.310 nan 0.000 0.487 58 G N 0.544 109.417 108.800 0.121 0.000 2.233 58 G HA2 -0.259 3.714 3.960 0.022 0.000 0.270 58 G HA3 -0.259 3.714 3.960 0.022 0.000 0.270 58 G C -0.095 174.893 174.900 0.146 0.000 1.011 58 G CA 0.417 45.581 45.100 0.108 0.000 0.762 58 G HN 0.539 nan 8.290 nan 0.000 0.511 59 L N -0.325 121.031 121.223 0.222 0.000 2.421 59 L HA 0.744 5.097 4.340 0.022 0.000 0.263 59 L C 0.597 177.711 176.870 0.406 0.000 1.122 59 L CA -0.347 54.648 54.840 0.257 0.000 0.804 59 L CB 1.070 43.232 42.059 0.172 0.000 1.150 59 L HN 0.199 nan 8.230 nan 0.000 0.457 60 K N 0.311 120.943 120.400 0.387 0.000 2.221 60 K HA 0.826 5.159 4.320 0.022 0.000 0.243 60 K C -0.679 176.268 176.600 0.580 0.000 0.968 60 K CA -0.693 55.851 56.287 0.429 0.000 0.846 60 K CB 1.873 34.563 32.500 0.316 0.000 1.141 60 K HN 0.800 nan 8.250 nan 0.000 0.434 61 G N 0.658 109.752 108.800 0.490 0.000 2.684 61 G HA2 0.517 4.490 3.960 0.022 0.000 0.290 61 G HA3 0.517 4.490 3.960 0.022 0.000 0.290 61 G C -1.820 173.229 174.900 0.248 0.000 1.425 61 G CA -0.779 44.500 45.100 0.298 0.000 0.822 61 G HN 0.526 nan 8.290 nan 0.000 0.482 62 M N 1.106 120.731 119.600 0.042 0.000 2.243 62 M HA 0.573 5.066 4.480 0.022 0.000 0.324 62 M C -0.502 175.835 176.300 0.061 0.000 1.031 62 M CA -0.495 54.892 55.300 0.145 0.000 0.949 62 M CB 1.685 34.421 32.600 0.227 0.000 1.615 62 M HN 0.338 nan 8.290 nan 0.000 0.430 63 S N 4.691 120.428 115.700 0.061 0.000 2.429 63 S HA 0.118 4.601 4.470 0.022 0.000 0.292 63 S C 0.552 175.177 174.600 0.042 0.000 1.183 63 S CA -0.498 57.725 58.200 0.038 0.000 1.088 63 S CB 0.497 63.711 63.200 0.023 0.000 1.018 63 S HN 0.722 nan 8.310 nan 0.000 0.511 64 L N 5.173 126.417 121.223 0.035 0.000 2.187 64 L HA 0.328 4.681 4.340 0.022 0.000 0.197 64 L C 0.103 176.992 176.870 0.031 0.000 1.090 64 L CA 1.432 56.294 54.840 0.037 0.000 0.781 64 L CB -0.173 41.901 42.059 0.025 0.000 0.956 64 L HN 0.472 nan 8.230 nan 0.000 0.463 65 N N -0.117 118.598 118.700 0.024 0.000 2.408 65 N HA 0.473 5.226 4.740 0.022 0.000 0.280 65 N C -1.356 174.165 175.510 0.019 0.000 1.002 65 N CA -0.156 52.907 53.050 0.021 0.000 0.907 65 N CB 1.191 39.688 38.487 0.018 0.000 1.161 65 N HN 0.044 nan 8.380 nan 0.000 0.488 66 L N 2.148 123.381 121.223 0.017 0.000 2.297 66 L HA 0.374 4.727 4.340 0.022 0.000 0.277 66 L C 0.015 176.893 176.870 0.013 0.000 1.040 66 L CA -0.377 54.471 54.840 0.013 0.000 0.867 66 L CB 0.368 42.433 42.059 0.010 0.000 1.244 66 L HN 0.457 nan 8.230 nan 0.000 0.433 67 E N 3.280 123.490 120.200 0.016 0.000 2.222 67 E HA 0.268 4.631 4.350 0.022 0.000 0.272 67 E C -1.620 174.991 176.600 0.018 0.000 0.982 67 E CA -1.864 54.546 56.400 0.017 0.000 0.842 67 E CB 1.484 31.197 29.700 0.020 0.000 1.144 67 E HN 0.250 nan 8.360 nan 0.000 0.397 68 P HA -0.181 nan 4.420 nan 0.000 0.222 68 P C -0.533 176.784 177.300 0.029 0.000 1.139 68 P CA 1.434 64.545 63.100 0.019 0.000 0.790 68 P CB 0.058 31.769 31.700 0.018 0.000 0.757 69 D N -3.410 117.015 120.400 0.041 0.000 2.969 69 D HA 0.149 4.802 4.640 0.022 0.000 0.317 69 D C -0.415 175.949 176.300 0.107 0.000 1.650 69 D CA -0.665 53.379 54.000 0.074 0.000 0.789 69 D CB -1.184 39.661 40.800 0.075 0.000 1.277 69 D HN 0.250 nan 8.370 nan 0.000 0.463 70 N N -1.823 116.918 118.700 0.067 0.000 4.310 70 N HA 0.336 5.089 4.740 0.022 0.000 0.212 70 N C -2.241 173.292 175.510 0.037 0.000 1.277 70 N CA -0.947 52.146 53.050 0.072 0.000 0.854 70 N CB 0.872 39.410 38.487 0.086 0.000 1.480 70 N HN -0.118 nan 8.380 nan 0.000 0.489 71 V N 0.211 120.146 119.914 0.036 0.000 2.409 71 V HA 0.799 4.932 4.120 0.022 0.000 0.291 71 V C 0.683 176.800 176.094 0.038 0.000 1.020 71 V CA -0.367 61.948 62.300 0.026 0.000 0.848 71 V CB 1.258 33.088 31.823 0.012 0.000 0.990 71 V HN 0.906 nan 8.190 nan 0.000 0.430 72 G N 3.885 112.704 108.800 0.031 0.000 2.351 72 G HA2 0.499 4.472 3.960 0.022 0.000 0.287 72 G HA3 0.499 4.472 3.960 0.022 0.000 0.287 72 G C -0.628 174.293 174.900 0.035 0.000 1.159 72 G CA -0.134 44.985 45.100 0.031 0.000 0.929 72 G HN 0.513 nan 8.290 nan 0.000 0.435 73 V N 3.110 123.059 119.914 0.058 0.000 2.547 73 V HA 0.307 4.440 4.120 0.022 0.000 0.299 73 V C 0.056 176.163 176.094 0.020 0.000 1.040 73 V CA -0.682 61.661 62.300 0.072 0.000 0.913 73 V CB 2.069 34.002 31.823 0.182 0.000 0.992 73 V HN 0.478 nan 8.190 nan 0.000 0.449 74 V N 5.550 125.426 119.914 -0.062 0.000 2.348 74 V HA 0.245 4.379 4.120 0.022 0.000 0.270 74 V C 0.098 175.990 176.094 -0.337 0.000 1.037 74 V CA -0.432 61.755 62.300 -0.189 0.000 0.872 74 V CB 1.527 33.214 31.823 -0.227 0.000 1.002 74 V HN 0.617 nan 8.190 nan 0.000 0.464 75 V N 6.442 126.217 119.914 -0.233 0.000 2.470 75 V HA 0.172 4.305 4.120 0.022 0.000 0.276 75 V C 0.359 176.328 176.094 -0.208 0.000 1.040 75 V CA -0.011 62.167 62.300 -0.203 0.000 1.008 75 V CB 0.481 32.157 31.823 -0.246 0.000 0.990 75 V HN 0.716 nan 8.190 nan 0.000 0.477 76 F N 4.521 124.530 119.950 0.099 0.000 2.833 76 F HA 0.573 5.109 4.527 0.015 0.000 0.327 76 F C 1.139 176.974 175.800 0.058 0.000 1.184 76 F CA 0.237 58.291 58.000 0.089 0.000 1.328 76 F CB -0.101 38.958 39.000 0.099 0.000 1.440 76 F HN 0.682 nan 8.300 nan 0.000 0.569 77 G N -0.264 108.619 108.800 0.140 0.000 2.315 77 G HA2 0.027 4.000 3.960 0.022 0.000 0.294 77 G HA3 0.027 4.000 3.960 0.022 0.000 0.294 77 G C -1.472 173.440 174.900 0.020 0.000 1.300 77 G CA -1.238 43.915 45.100 0.088 0.000 0.843 77 G HN -0.037 nan 8.290 nan 0.000 0.527 78 N N 1.124 119.830 118.700 0.011 0.000 2.411 78 N HA 0.038 4.791 4.740 0.022 0.000 0.261 78 N C 0.826 176.303 175.510 -0.055 0.000 1.248 78 N CA 0.534 53.575 53.050 -0.014 0.000 0.885 78 N CB 0.751 39.236 38.487 -0.004 0.000 1.062 78 N HN 0.533 nan 8.380 nan 0.000 0.471 79 D N 2.829 123.186 120.400 -0.071 0.000 2.319 79 D HA -0.087 4.566 4.640 0.022 0.000 0.230 79 D C 1.096 177.343 176.300 -0.088 0.000 1.094 79 D CA 0.119 54.050 54.000 -0.115 0.000 0.856 79 D CB 0.061 40.788 40.800 -0.121 0.000 0.915 79 D HN 0.717 nan 8.370 nan 0.000 0.517 80 K N 1.080 121.446 120.400 -0.057 0.000 2.103 80 K HA -0.066 4.267 4.320 0.022 0.000 0.204 80 K C 2.097 178.671 176.600 -0.043 0.000 1.052 80 K CA 0.487 56.749 56.287 -0.041 0.000 0.945 80 K CB -0.450 32.036 32.500 -0.023 0.000 0.722 80 K HN 0.106 nan 8.250 nan 0.000 0.443 81 L N 1.212 122.406 121.223 -0.049 0.000 2.353 81 L HA 0.049 4.402 4.340 0.022 0.000 0.220 81 L C 1.137 177.971 176.870 -0.060 0.000 1.133 81 L CA 0.484 55.300 54.840 -0.041 0.000 0.798 81 L CB -0.630 41.410 42.059 -0.033 0.000 0.922 81 L HN 0.176 nan 8.230 nan 0.000 0.445 82 I N 0.012 120.514 120.570 -0.113 0.000 2.488 82 I HA 0.260 4.443 4.170 0.022 0.000 0.299 82 I C -0.043 176.036 176.117 -0.062 0.000 0.984 82 I CA -0.310 60.914 61.300 -0.127 0.000 1.250 82 I CB 1.404 39.217 38.000 -0.311 0.000 1.389 82 I HN 0.004 nan 8.210 nan 0.000 0.488 83 K N 3.523 123.913 120.400 -0.017 0.000 2.509 83 K HA 0.339 4.672 4.320 0.022 0.000 0.266 83 K C -1.029 175.583 176.600 0.020 0.000 0.987 83 K CA -0.992 55.294 56.287 -0.002 0.000 0.868 83 K CB 2.115 34.618 32.500 0.006 0.000 1.421 83 K HN 0.518 nan 8.250 nan 0.000 0.444 84 E N 0.211 120.420 120.200 0.015 0.000 2.465 84 E HA -0.002 4.361 4.350 0.022 0.000 0.260 84 E C 0.581 177.202 176.600 0.035 0.000 0.980 84 E CA 1.473 57.887 56.400 0.025 0.000 0.927 84 E CB 0.049 29.756 29.700 0.013 0.000 0.934 84 E HN 0.759 nan 8.360 nan 0.000 0.459 85 G N 3.901 112.731 108.800 0.050 0.000 2.217 85 G HA2 -0.241 3.732 3.960 0.022 0.000 0.246 85 G HA3 -0.241 3.732 3.960 0.022 0.000 0.246 85 G C -0.065 174.875 174.900 0.066 0.000 0.990 85 G CA 0.146 45.278 45.100 0.053 0.000 0.627 85 G HN 0.664 nan 8.290 nan 0.000 0.522 86 D N 0.216 120.666 120.400 0.083 0.000 2.390 86 D HA 0.408 5.061 4.640 0.022 0.000 0.236 86 D C 0.721 177.086 176.300 0.108 0.000 1.189 86 D CA 0.093 54.155 54.000 0.104 0.000 0.887 86 D CB 0.569 41.459 40.800 0.149 0.000 1.198 86 D HN 0.174 nan 8.370 nan 0.000 0.444 87 I N 0.877 121.501 120.570 0.089 0.000 2.396 87 I HA 0.137 4.320 4.170 0.022 0.000 0.292 87 I C -0.289 175.840 176.117 0.020 0.000 0.999 87 I CA -0.337 60.993 61.300 0.050 0.000 1.310 87 I CB 1.479 39.495 38.000 0.027 0.000 1.404 87 I HN -0.015 nan 8.210 nan 0.000 0.496 88 V N 6.889 126.773 119.914 -0.049 0.000 2.448 88 V HA 0.483 4.616 4.120 0.022 0.000 0.295 88 V C -0.198 175.796 176.094 -0.167 0.000 1.025 88 V CA -0.937 61.235 62.300 -0.214 0.000 0.859 88 V CB 1.531 33.187 31.823 -0.277 0.000 0.988 88 V HN 0.578 nan 8.190 nan 0.000 0.431 89 K N 4.053 124.344 120.400 -0.181 0.000 2.259 89 K HA 0.641 4.974 4.320 0.022 0.000 0.252 89 K C -0.194 176.336 176.600 -0.116 0.000 0.936 89 K CA -0.893 55.326 56.287 -0.114 0.000 0.810 89 K CB 2.650 35.106 32.500 -0.074 0.000 1.143 89 K HN 0.595 nan 8.250 nan 0.000 0.427 90 R N -0.022 120.428 120.500 -0.082 0.000 2.840 90 R HA 0.072 4.425 4.340 0.022 0.000 0.282 90 R C 1.047 177.317 176.300 -0.049 0.000 1.133 90 R CA 0.347 56.408 56.100 -0.065 0.000 1.208 90 R CB 0.068 30.340 30.300 -0.047 0.000 1.160 90 R HN 0.823 nan 8.270 nan 0.000 0.576 91 T N -4.441 110.093 114.554 -0.033 0.000 3.252 91 T HA 0.168 4.531 4.350 0.022 0.000 0.295 91 T C 1.118 175.809 174.700 -0.015 0.000 0.897 91 T CA 0.211 62.298 62.100 -0.022 0.000 0.905 91 T CB 0.486 69.345 68.868 -0.014 0.000 1.202 91 T HN 0.848 nan 8.240 nan 0.000 0.592 92 G N 1.532 110.323 108.800 -0.016 0.000 2.212 92 G HA2 0.034 4.007 3.960 0.022 0.000 0.267 92 G HA3 0.034 4.007 3.960 0.022 0.000 0.267 92 G C 0.236 175.132 174.900 -0.007 0.000 1.002 92 G CA 0.147 45.240 45.100 -0.012 0.000 0.729 92 G HN 1.560 nan 8.290 nan 0.000 0.517 93 A N 0.174 122.992 122.820 -0.003 0.000 2.319 93 A HA 0.731 5.064 4.320 0.022 0.000 0.310 93 A C 0.234 177.823 177.584 0.009 0.000 1.152 93 A CA -0.770 51.266 52.037 -0.000 0.000 0.783 93 A CB 1.015 20.013 19.000 -0.004 0.000 1.184 93 A HN 0.437 nan 8.150 nan 0.000 0.474 94 I N 2.666 123.241 120.570 0.008 0.000 2.683 94 I HA -0.003 4.180 4.170 0.022 0.000 0.286 94 I C 0.790 176.914 176.117 0.012 0.000 1.175 94 I CA 0.195 61.504 61.300 0.015 0.000 1.429 94 I CB 0.601 38.606 38.000 0.008 0.000 1.371 94 I HN 0.423 nan 8.210 nan 0.000 0.569 95 V N 7.562 127.494 119.914 0.029 0.000 2.814 95 V HA -0.157 3.976 4.120 0.022 0.000 0.298 95 V C 0.308 176.386 176.094 -0.027 0.000 1.195 95 V CA 0.623 62.927 62.300 0.007 0.000 1.323 95 V CB -0.740 31.099 31.823 0.028 0.000 0.842 95 V HN 0.942 nan 8.190 nan 0.000 0.494 96 D N 3.733 124.107 120.400 -0.044 0.000 2.744 96 D HA 0.791 5.444 4.640 0.022 0.000 0.304 96 D C -0.638 175.625 176.300 -0.063 0.000 1.179 96 D CA -0.469 53.504 54.000 -0.045 0.000 1.024 96 D CB 2.101 42.882 40.800 -0.031 0.000 1.453 96 D HN 0.614 nan 8.370 nan 0.000 0.529 97 V N -5.820 114.061 119.914 -0.055 0.000 3.120 97 V HA 0.630 4.763 4.120 0.022 0.000 0.303 97 V C -3.043 173.014 176.094 -0.063 0.000 1.238 97 V CA -2.236 60.026 62.300 -0.063 0.000 1.008 97 V CB 1.566 33.348 31.823 -0.068 0.000 1.064 97 V HN 0.419 nan 8.190 nan 0.000 0.434 98 P HA 0.242 nan 4.420 nan 0.000 0.261 98 P C -0.675 176.559 177.300 -0.111 0.000 1.173 98 P CA 0.535 63.586 63.100 -0.082 0.000 0.760 98 P CB 0.580 32.236 31.700 -0.074 0.000 0.783 99 V N 2.872 122.692 119.914 -0.156 0.000 3.049 99 V HA 0.901 5.034 4.120 0.022 0.000 0.309 99 V C 0.257 176.063 176.094 -0.481 0.000 1.148 99 V CA 0.270 62.414 62.300 -0.259 0.000 0.990 99 V CB 2.189 33.912 31.823 -0.167 0.000 1.039 99 V HN 0.904 nan 8.190 nan 0.000 0.430 100 G N 2.279 110.530 108.800 -0.914 0.000 2.362 100 G HA2 0.015 3.988 3.960 0.022 0.000 0.656 100 G HA3 0.015 3.988 3.960 0.022 0.000 0.656 100 G C -0.017 174.391 174.900 -0.819 0.000 1.376 100 G CA -0.189 44.099 45.100 -1.355 0.000 0.971 100 G HN 0.620 nan 8.290 nan 0.000 0.636 101 E N 0.212 120.039 120.200 -0.623 0.000 2.333 101 E HA -0.178 4.185 4.350 0.022 0.000 0.200 101 E C 1.775 178.343 176.600 -0.053 0.000 1.010 101 E CA 1.401 57.718 56.400 -0.139 0.000 0.841 101 E CB 0.066 29.771 29.700 0.008 0.000 0.757 101 E HN 0.679 nan 8.360 nan 0.000 0.508 102 E N 0.367 120.503 120.200 -0.106 0.000 2.463 102 E HA -0.059 4.304 4.350 0.022 0.000 0.191 102 E C 1.342 177.920 176.600 -0.037 0.000 1.083 102 E CA 0.220 56.590 56.400 -0.049 0.000 0.872 102 E CB 0.060 29.727 29.700 -0.055 0.000 0.966 102 E HN 0.217 nan 8.360 nan 0.000 0.491 103 L N 0.386 121.588 121.223 -0.036 0.000 2.408 103 L HA 0.166 4.519 4.340 0.022 0.000 0.215 103 L C 1.089 177.979 176.870 0.033 0.000 1.081 103 L CA 0.246 55.079 54.840 -0.011 0.000 0.840 103 L CB -0.155 41.889 42.059 -0.025 0.000 1.002 103 L HN 0.092 nan 8.230 nan 0.000 0.468 104 L N 0.514 121.781 121.223 0.074 0.000 2.593 104 L HA 0.043 4.396 4.340 0.022 0.000 0.287 104 L C 1.524 178.424 176.870 0.051 0.000 1.243 104 L CA 1.013 55.912 54.840 0.098 0.000 0.890 104 L CB -0.396 41.759 42.059 0.161 0.000 1.134 104 L HN 0.527 nan 8.230 nan 0.000 0.502 105 G N 1.807 110.622 108.800 0.024 0.000 2.184 105 G HA2 -0.240 3.733 3.960 0.022 0.000 0.264 105 G HA3 -0.240 3.733 3.960 0.022 0.000 0.264 105 G C 0.328 175.226 174.900 -0.003 0.000 0.975 105 G CA -0.183 44.913 45.100 -0.005 0.000 0.642 105 G HN 0.467 nan 8.290 nan 0.000 0.536 106 R N -0.468 120.036 120.500 0.007 0.000 2.598 106 R HA 0.679 5.032 4.340 0.022 0.000 0.279 106 R C -0.146 176.157 176.300 0.005 0.000 0.984 106 R CA -0.963 55.138 56.100 0.002 0.000 0.999 106 R CB 1.553 31.853 30.300 -0.001 0.000 1.114 106 R HN 0.211 nan 8.270 nan 0.000 0.493 107 V N 3.258 123.174 119.914 0.003 0.000 2.304 107 V HA 0.270 4.403 4.120 0.022 0.000 0.278 107 V C 0.128 176.227 176.094 0.007 0.000 1.018 107 V CA -0.727 61.580 62.300 0.010 0.000 0.814 107 V CB 1.205 33.034 31.823 0.010 0.000 1.021 107 V HN 0.557 nan 8.190 nan 0.000 0.440 108 V N 1.600 121.518 119.914 0.007 0.000 2.975 108 V HA 0.818 4.951 4.120 0.022 0.000 0.318 108 V C -0.012 176.082 176.094 -0.000 0.000 1.077 108 V CA -0.763 61.536 62.300 -0.002 0.000 1.000 108 V CB 2.040 33.857 31.823 -0.011 0.000 1.066 108 V HN 0.729 nan 8.190 nan 0.000 0.452 109 D N 1.933 122.329 120.400 -0.006 0.000 2.478 109 D HA 0.452 5.105 4.640 0.022 0.000 0.274 109 D C 1.062 177.347 176.300 -0.025 0.000 1.234 109 D CA 0.002 53.998 54.000 -0.006 0.000 1.069 109 D CB 0.863 41.663 40.800 -0.000 0.000 1.113 109 D HN 0.811 nan 8.370 nan 0.000 0.571 110 A N -0.948 121.853 122.820 -0.032 0.000 2.209 110 A HA 0.055 4.388 4.320 0.022 0.000 0.212 110 A C 2.031 179.546 177.584 -0.115 0.000 1.158 110 A CA 0.531 52.530 52.037 -0.064 0.000 0.742 110 A CB -0.759 18.208 19.000 -0.054 0.000 0.790 110 A HN 0.510 nan 8.150 nan 0.000 0.472 111 L N -2.306 118.853 121.223 -0.107 0.000 2.616 111 L HA 0.270 4.623 4.340 0.022 0.000 0.229 111 L C 1.692 178.509 176.870 -0.089 0.000 1.110 111 L CA 0.653 55.412 54.840 -0.135 0.000 0.884 111 L CB 0.336 42.319 42.059 -0.125 0.000 1.115 111 L HN 0.529 nan 8.230 nan 0.000 0.481 112 G N -0.520 108.243 108.800 -0.062 0.000 2.213 112 G HA2 -0.235 3.738 3.960 0.022 0.000 0.226 112 G HA3 -0.235 3.738 3.960 0.022 0.000 0.226 112 G C 0.131 175.009 174.900 -0.036 0.000 0.992 112 G CA -0.441 44.630 45.100 -0.049 0.000 0.632 112 G HN 0.293 nan 8.290 nan 0.000 0.511 113 N N 1.595 120.277 118.700 -0.030 0.000 2.458 113 N HA 0.471 5.224 4.740 0.022 0.000 0.258 113 N C 0.642 176.145 175.510 -0.011 0.000 1.219 113 N CA 0.841 53.881 53.050 -0.017 0.000 0.902 113 N CB 1.103 39.585 38.487 -0.009 0.000 1.076 113 N HN 0.817 nan 8.380 nan 0.000 0.455 114 A N 1.929 124.744 122.820 -0.009 0.000 2.425 114 A HA 0.333 4.666 4.320 0.022 0.000 0.249 114 A C 1.290 178.874 177.584 0.000 0.000 1.084 114 A CA -0.373 51.660 52.037 -0.005 0.000 0.781 114 A CB -0.237 18.759 19.000 -0.006 0.000 1.019 114 A HN 0.829 nan 8.150 nan 0.000 0.490 115 I N -1.267 119.304 120.570 0.003 0.000 4.225 115 I HA 0.248 4.431 4.170 0.022 0.000 0.327 115 I C 0.082 176.202 176.117 0.005 0.000 1.422 115 I CA -0.024 61.279 61.300 0.006 0.000 1.150 115 I CB 0.442 38.448 38.000 0.011 0.000 1.192 115 I HN 0.450 nan 8.210 nan 0.000 0.440 116 D N 1.296 121.697 120.400 0.002 0.000 2.340 116 D HA 0.131 4.785 4.640 0.022 0.000 0.220 116 D C 1.735 178.035 176.300 -0.001 0.000 1.039 116 D CA 0.608 54.608 54.000 -0.000 0.000 0.866 116 D CB -0.110 40.688 40.800 -0.003 0.000 0.913 116 D HN 0.430 nan 8.370 nan 0.000 0.523 117 G N 0.938 109.739 108.800 0.000 0.000 2.233 117 G HA2 -0.399 3.574 3.960 0.022 0.000 0.270 117 G HA3 -0.399 3.574 3.960 0.022 0.000 0.270 117 G C 0.635 175.534 174.900 -0.001 0.000 1.011 117 G CA 0.460 45.560 45.100 0.001 0.000 0.762 117 G HN 0.458 nan 8.290 nan 0.000 0.511 118 K N 0.546 120.945 120.400 -0.003 0.000 2.862 118 K HA 0.443 4.776 4.320 0.022 0.000 0.229 118 K C 1.230 177.828 176.600 -0.004 0.000 1.107 118 K CA 0.343 56.628 56.287 -0.004 0.000 1.222 118 K CB -0.179 32.318 32.500 -0.005 0.000 1.067 118 K HN 1.357 nan 8.250 nan 0.000 0.464 119 G N 2.819 111.617 108.800 -0.003 0.000 2.716 119 G HA2 -0.173 3.800 3.960 0.022 0.000 0.686 119 G HA3 -0.173 3.800 3.960 0.022 0.000 0.686 119 G C -2.640 172.257 174.900 -0.006 0.000 1.337 119 G CA -1.315 43.783 45.100 -0.004 0.000 0.829 119 G HN 0.081 nan 8.290 nan 0.000 0.599 120 P HA 0.184 nan 4.420 nan 0.000 0.266 120 P C 0.575 177.867 177.300 -0.014 0.000 1.186 120 P CA 0.003 63.097 63.100 -0.010 0.000 0.767 120 P CB 0.318 32.013 31.700 -0.009 0.000 0.820 121 I N 1.586 122.145 120.570 -0.019 0.000 2.396 121 I HA 0.125 4.308 4.170 0.022 0.000 0.289 121 I C 1.467 177.566 176.117 -0.031 0.000 1.056 121 I CA 0.021 61.305 61.300 -0.026 0.000 1.365 121 I CB 0.112 38.092 38.000 -0.034 0.000 1.407 121 I HN 0.403 nan 8.210 nan 0.000 0.509 122 G N 4.705 113.487 108.800 -0.030 0.000 3.101 122 G HA2 0.181 4.154 3.960 0.022 0.000 0.272 122 G HA3 0.181 4.154 3.960 0.022 0.000 0.272 122 G C 0.237 175.110 174.900 -0.046 0.000 0.801 122 G CA -0.123 44.958 45.100 -0.031 0.000 1.978 122 G HN 0.566 nan 8.290 nan 0.000 0.591 123 S N 0.429 116.097 115.700 -0.054 0.000 2.525 123 S HA 0.337 4.820 4.470 0.022 0.000 0.278 123 S C 1.257 175.820 174.600 -0.062 0.000 1.234 123 S CA -0.657 57.498 58.200 -0.075 0.000 1.058 123 S CB 1.288 64.434 63.200 -0.089 0.000 0.983 123 S HN 0.576 nan 8.310 nan 0.000 0.495 124 K N 2.245 122.604 120.400 -0.069 0.000 2.141 124 K HA 0.289 4.622 4.320 0.022 0.000 0.202 124 K C 0.764 177.337 176.600 -0.046 0.000 1.045 124 K CA 0.418 56.677 56.287 -0.046 0.000 0.971 124 K CB -0.005 32.475 32.500 -0.034 0.000 0.795 124 K HN 0.607 nan 8.250 nan 0.000 0.459 125 A N 1.646 124.429 122.820 -0.063 0.000 2.286 125 A HA 0.470 4.803 4.320 0.022 0.000 0.286 125 A C -0.384 177.163 177.584 -0.062 0.000 1.097 125 A CA -0.342 51.666 52.037 -0.048 0.000 0.821 125 A CB 0.577 19.562 19.000 -0.025 0.000 1.076 125 A HN 0.150 nan 8.150 nan 0.000 0.490 126 R N -0.559 119.917 120.500 -0.040 0.000 2.837 126 R HA 0.726 5.079 4.340 0.022 0.000 0.271 126 R C -0.824 175.460 176.300 -0.027 0.000 0.993 126 R CA -0.796 55.280 56.100 -0.040 0.000 0.931 126 R CB 2.440 32.720 30.300 -0.033 0.000 1.206 126 R HN 0.839 nan 8.270 nan 0.000 0.474 127 R N 0.954 121.437 120.500 -0.028 0.000 2.566 127 R HA 0.292 4.645 4.340 0.022 0.000 0.271 127 R C -1.145 175.145 176.300 -0.018 0.000 1.071 127 R CA -0.704 55.387 56.100 -0.015 0.000 0.915 127 R CB 1.569 31.865 30.300 -0.007 0.000 1.228 127 R HN 0.536 nan 8.270 nan 0.000 0.449 128 R N 1.967 122.459 120.500 -0.013 0.000 2.590 128 R HA 0.048 4.401 4.340 0.022 0.000 0.274 128 R C 1.412 177.701 176.300 -0.019 0.000 1.061 128 R CA 0.252 56.341 56.100 -0.018 0.000 1.081 128 R CB 0.805 31.096 30.300 -0.015 0.000 0.984 128 R HN 0.593 nan 8.270 nan 0.000 0.448 129 V N 0.312 120.207 119.914 -0.032 0.000 2.591 129 V HA 0.042 4.175 4.120 0.022 0.000 0.249 129 V C 1.363 177.431 176.094 -0.044 0.000 1.053 129 V CA 1.728 64.016 62.300 -0.021 0.000 1.068 129 V CB -0.337 31.461 31.823 -0.041 0.000 0.689 129 V HN 0.879 nan 8.190 nan 0.000 0.462 130 G N 0.497 109.244 108.800 -0.089 0.000 3.314 130 G HA2 0.350 4.323 3.960 0.022 0.000 0.238 130 G HA3 0.350 4.323 3.960 0.022 0.000 0.238 130 G C 0.409 175.269 174.900 -0.066 0.000 1.184 130 G CA -0.452 44.571 45.100 -0.128 0.000 0.806 130 G HN 0.487 nan 8.290 nan 0.000 0.536 131 L N 0.219 121.426 121.223 -0.026 0.000 2.483 131 L HA 0.198 4.551 4.340 0.022 0.000 0.275 131 L C 0.878 177.746 176.870 -0.003 0.000 1.220 131 L CA -0.283 54.552 54.840 -0.008 0.000 0.833 131 L CB 0.634 42.695 42.059 0.004 0.000 1.102 131 L HN 0.052 nan 8.230 nan 0.000 0.490 132 K N 1.898 122.302 120.400 0.007 0.000 2.270 132 K HA 0.451 4.784 4.320 0.022 0.000 0.276 132 K C -0.187 176.421 176.600 0.013 0.000 1.023 132 K CA -0.413 55.885 56.287 0.018 0.000 0.955 132 K CB 1.137 33.654 32.500 0.027 0.000 0.975 132 K HN 0.627 nan 8.250 nan 0.000 0.471 133 A N 4.907 127.736 122.820 0.016 0.000 2.466 133 A HA 0.263 4.596 4.320 0.022 0.000 0.238 133 A C -2.108 175.469 177.584 -0.011 0.000 1.074 133 A CA -1.110 50.931 52.037 0.006 0.000 0.774 133 A CB -0.606 18.400 19.000 0.009 0.000 1.015 133 A HN 0.686 nan 8.150 nan 0.000 0.498 134 P HA 0.191 nan 4.420 nan 0.000 0.266 134 P C 0.721 177.980 177.300 -0.068 0.000 1.195 134 P CA 0.536 63.593 63.100 -0.071 0.000 0.768 134 P CB 0.300 31.934 31.700 -0.110 0.000 0.838 135 G N 1.506 110.257 108.800 -0.082 0.000 2.479 135 G HA2 0.083 4.056 3.960 0.022 0.000 0.275 135 G HA3 0.083 4.056 3.960 0.022 0.000 0.275 135 G C 1.096 175.951 174.900 -0.074 0.000 1.421 135 G CA -0.533 44.529 45.100 -0.063 0.000 1.059 135 G HN 0.424 nan 8.290 nan 0.000 0.535 136 I N -0.297 120.242 120.570 -0.052 0.000 2.233 136 I HA -0.092 4.091 4.170 0.022 0.000 0.243 136 I C 2.574 178.654 176.117 -0.062 0.000 1.093 136 I CA 0.391 61.665 61.300 -0.043 0.000 1.380 136 I CB -0.107 37.881 38.000 -0.020 0.000 1.067 136 I HN 0.242 nan 8.210 nan 0.000 0.413 137 I N 1.355 121.884 120.570 -0.070 0.000 2.127 137 I HA -0.178 4.005 4.170 0.022 0.000 0.241 137 I C -0.115 175.917 176.117 -0.141 0.000 1.075 137 I CA 1.947 63.209 61.300 -0.064 0.000 1.334 137 I CB -2.746 35.242 38.000 -0.019 0.000 1.040 137 I HN 0.181 nan 8.210 nan 0.000 0.405 138 P HA -0.092 nan 4.420 nan 0.000 0.225 138 P C 0.512 177.613 177.300 -0.332 0.000 1.148 138 P CA 1.031 63.682 63.100 -0.747 0.000 0.779 138 P CB 0.007 30.995 31.700 -1.186 0.000 0.780 139 R N -0.498 119.902 120.500 -0.167 0.000 2.549 139 R HA 0.640 4.993 4.340 0.022 0.000 0.259 139 R C -0.147 176.143 176.300 -0.017 0.000 1.095 139 R CA -0.750 55.307 56.100 -0.071 0.000 1.148 139 R CB 0.518 30.785 30.300 -0.054 0.000 1.181 139 R HN -0.052 nan 8.270 nan 0.000 0.571 140 I N -1.233 119.340 120.570 0.004 0.000 2.841 140 I HA 0.151 4.334 4.170 0.022 0.000 0.298 140 I C -0.824 175.302 176.117 0.015 0.000 1.304 140 I CA -0.138 61.173 61.300 0.018 0.000 1.019 140 I CB 2.538 40.559 38.000 0.035 0.000 1.282 140 I HN 0.478 nan 8.210 nan 0.000 0.432 141 S N 4.368 120.076 115.700 0.014 0.000 2.626 141 S HA 0.181 4.664 4.470 0.022 0.000 0.303 141 S C -0.052 174.553 174.600 0.009 0.000 1.256 141 S CA 0.010 58.216 58.200 0.010 0.000 1.069 141 S CB -0.109 63.097 63.200 0.010 0.000 0.807 141 S HN 0.827 nan 8.310 nan 0.000 0.500 142 V N 4.635 124.551 119.914 0.004 0.000 2.617 142 V HA 0.225 4.358 4.120 0.022 0.000 0.304 142 V C 1.044 177.133 176.094 -0.008 0.000 1.040 142 V CA 0.181 62.479 62.300 -0.004 0.000 1.149 142 V CB 0.229 32.045 31.823 -0.012 0.000 0.914 142 V HN 0.996 nan 8.190 nan 0.000 0.487 143 R N 1.572 122.063 120.500 -0.015 0.000 2.555 143 R HA 0.389 4.742 4.340 0.022 0.000 0.312 143 R C -0.062 176.218 176.300 -0.034 0.000 0.938 143 R CA -0.297 55.793 56.100 -0.015 0.000 1.112 143 R CB 0.436 30.734 30.300 -0.003 0.000 1.535 143 R HN 0.750 nan 8.270 nan 0.000 0.525 144 E N 3.618 123.781 120.200 -0.062 0.000 2.175 144 E HA 0.350 4.713 4.350 0.022 0.000 0.278 144 E C -2.523 174.007 176.600 -0.118 0.000 0.969 144 E CA -2.457 53.881 56.400 -0.104 0.000 0.796 144 E CB 1.795 31.386 29.700 -0.182 0.000 1.104 144 E HN -0.031 nan 8.360 nan 0.000 0.395 145 P HA -0.020 nan 4.420 nan 0.000 0.269 145 P C -0.623 176.578 177.300 -0.166 0.000 1.209 145 P CA -0.024 63.015 63.100 -0.102 0.000 0.776 145 P CB 0.506 32.165 31.700 -0.069 0.000 0.876 146 M N 3.026 122.542 119.600 -0.140 0.000 2.182 146 M HA 0.128 4.621 4.480 0.022 0.000 0.285 146 M C -0.450 175.778 176.300 -0.121 0.000 0.956 146 M CA -0.473 54.723 55.300 -0.173 0.000 0.878 146 M CB 0.210 32.731 32.600 -0.132 0.000 1.373 146 M HN 0.320 nan 8.290 nan 0.000 0.393 147 Q N 1.667 121.390 119.800 -0.128 0.000 2.330 147 Q HA 0.124 4.477 4.340 0.022 0.000 0.279 147 Q C 1.032 177.035 176.000 0.005 0.000 1.024 147 Q CA 0.517 56.309 55.803 -0.018 0.000 0.900 147 Q CB 0.562 29.357 28.738 0.094 0.000 1.221 147 Q HN 0.699 nan 8.270 nan 0.000 0.396 148 T N -1.924 112.644 114.554 0.024 0.000 3.034 148 T HA 0.234 4.597 4.350 0.022 0.000 0.248 148 T C 1.244 175.974 174.700 0.049 0.000 1.040 148 T CA 0.449 62.566 62.100 0.028 0.000 1.107 148 T CB 0.240 69.119 68.868 0.018 0.000 0.932 148 T HN 0.835 nan 8.240 nan 0.000 0.474 149 G N 1.673 110.505 108.800 0.054 0.000 2.195 149 G HA2 -0.179 3.794 3.960 0.022 0.000 0.246 149 G HA3 -0.179 3.794 3.960 0.022 0.000 0.246 149 G C 0.027 174.947 174.900 0.033 0.000 0.984 149 G CA -0.061 45.070 45.100 0.051 0.000 0.633 149 G HN 0.634 nan 8.290 nan 0.000 0.525 150 I N 1.837 122.425 120.570 0.029 0.000 2.297 150 I HA 0.219 4.402 4.170 0.022 0.000 0.291 150 I C 1.687 177.820 176.117 0.026 0.000 1.033 150 I CA -0.758 60.556 61.300 0.023 0.000 1.253 150 I CB 1.194 39.205 38.000 0.019 0.000 1.396 150 I HN 0.050 nan 8.210 nan 0.000 0.476 151 K N 4.779 125.194 120.400 0.026 0.000 2.059 151 K HA -0.258 4.075 4.320 0.022 0.000 0.212 151 K C 2.043 178.660 176.600 0.028 0.000 1.050 151 K CA 1.813 58.117 56.287 0.028 0.000 0.927 151 K CB -0.330 32.187 32.500 0.028 0.000 0.714 151 K HN 0.770 nan 8.250 nan 0.000 0.447 152 A N 1.465 124.303 122.820 0.029 0.000 1.883 152 A HA -0.131 4.202 4.320 0.022 0.000 0.217 152 A C 2.541 180.146 177.584 0.034 0.000 1.186 152 A CA 1.769 53.826 52.037 0.033 0.000 0.624 152 A CB -0.769 18.255 19.000 0.041 0.000 0.822 152 A HN 0.105 nan 8.150 nan 0.000 0.444 153 V N 0.723 120.656 119.914 0.031 0.000 2.244 153 V HA -0.206 3.927 4.120 0.022 0.000 0.244 153 V C 1.969 178.076 176.094 0.023 0.000 1.042 153 V CA 2.145 64.461 62.300 0.027 0.000 1.006 153 V CB -0.877 30.959 31.823 0.022 0.000 0.641 153 V HN 0.504 nan 8.190 nan 0.000 0.446 154 D N 0.454 120.867 120.400 0.023 0.000 2.350 154 D HA -0.083 4.570 4.640 0.022 0.000 0.216 154 D C 2.259 178.573 176.300 0.024 0.000 0.968 154 D CA 1.561 55.574 54.000 0.022 0.000 0.894 154 D CB 0.034 40.850 40.800 0.027 0.000 0.909 154 D HN 0.642 nan 8.370 nan 0.000 0.520 155 S N -0.526 115.190 115.700 0.026 0.000 2.460 155 S HA 0.090 4.573 4.470 0.022 0.000 0.226 155 S C 1.927 176.542 174.600 0.025 0.000 1.057 155 S CA -0.088 58.128 58.200 0.026 0.000 0.948 155 S CB -0.061 63.155 63.200 0.027 0.000 0.822 155 S HN 0.133 nan 8.310 nan 0.000 0.512 156 L N 0.964 122.204 121.223 0.028 0.000 2.609 156 L HA 0.423 4.776 4.340 0.022 0.000 0.230 156 L C -0.146 176.743 176.870 0.032 0.000 1.087 156 L CA 0.074 54.932 54.840 0.031 0.000 0.874 156 L CB 0.889 42.970 42.059 0.037 0.000 1.114 156 L HN 0.141 nan 8.230 nan 0.000 0.488 157 V N 0.267 120.198 119.914 0.029 0.000 2.575 157 V HA 0.242 4.375 4.120 0.022 0.000 0.281 157 V C -2.455 173.647 176.094 0.014 0.000 1.087 157 V CA -1.194 61.121 62.300 0.025 0.000 1.193 157 V CB 0.306 32.148 31.823 0.031 0.000 1.426 157 V HN -0.039 nan 8.190 nan 0.000 0.623 158 P HA 0.054 nan 4.420 nan 0.000 0.258 158 P C -0.329 176.967 177.300 -0.007 0.000 1.172 158 P CA 0.614 63.715 63.100 0.003 0.000 0.762 158 P CB 0.339 32.041 31.700 0.003 0.000 0.764 159 I N 3.020 123.580 120.570 -0.016 0.000 2.385 159 I HA 0.420 4.603 4.170 0.022 0.000 0.294 159 I C 1.246 177.340 176.117 -0.039 0.000 0.988 159 I CA -0.523 60.761 61.300 -0.025 0.000 1.265 159 I CB 0.766 38.747 38.000 -0.031 0.000 1.388 159 I HN 0.305 nan 8.210 nan 0.000 0.480 160 G N 5.534 114.311 108.800 -0.038 0.000 2.461 160 G HA2 0.526 4.499 3.960 0.022 0.000 0.329 160 G HA3 0.526 4.499 3.960 0.022 0.000 0.329 160 G C -0.293 174.570 174.900 -0.062 0.000 1.170 160 G CA -0.876 44.194 45.100 -0.050 0.000 0.935 160 G HN 0.517 nan 8.290 nan 0.000 0.492 161 R N -0.011 120.435 120.500 -0.090 0.000 2.316 161 R HA 0.430 4.783 4.340 0.022 0.000 0.314 161 R C 0.963 177.245 176.300 -0.031 0.000 1.069 161 R CA 0.885 56.928 56.100 -0.095 0.000 0.959 161 R CB 0.870 31.047 30.300 -0.204 0.000 0.987 161 R HN 1.063 nan 8.270 nan 0.000 0.446 162 G N 1.935 110.733 108.800 -0.005 0.000 2.168 162 G HA2 -0.260 3.713 3.960 0.022 0.000 0.197 162 G HA3 -0.260 3.713 3.960 0.022 0.000 0.197 162 G C 0.038 174.942 174.900 0.007 0.000 0.997 162 G CA -0.124 44.986 45.100 0.018 0.000 0.658 162 G HN 0.582 nan 8.290 nan 0.000 0.513 163 Q N -0.205 119.592 119.800 -0.005 0.000 2.212 163 Q HA 0.759 5.112 4.340 0.022 0.000 0.238 163 Q C -0.194 175.804 176.000 -0.003 0.000 0.955 163 Q CA -0.753 55.046 55.803 -0.006 0.000 0.906 163 Q CB 0.601 29.331 28.738 -0.014 0.000 1.215 163 Q HN 0.220 nan 8.270 nan 0.000 0.478 164 R N 1.898 122.395 120.500 -0.004 0.000 2.337 164 R HA 0.309 4.662 4.340 0.022 0.000 0.319 164 R C -1.534 174.755 176.300 -0.018 0.000 0.954 164 R CA -0.487 55.611 56.100 -0.004 0.000 0.840 164 R CB 1.590 31.887 30.300 -0.005 0.000 1.164 164 R HN 0.549 nan 8.270 nan 0.000 0.472 165 E N 2.883 123.069 120.200 -0.023 0.000 2.199 165 E HA 0.351 4.714 4.350 0.022 0.000 0.265 165 E C -1.485 175.084 176.600 -0.051 0.000 0.882 165 E CA -0.916 55.462 56.400 -0.038 0.000 0.759 165 E CB 1.132 30.813 29.700 -0.031 0.000 1.148 165 E HN 0.395 nan 8.360 nan 0.000 0.412 166 L N 5.295 126.468 121.223 -0.082 0.000 2.312 166 L HA 0.475 4.828 4.340 0.022 0.000 0.281 166 L C -1.096 175.706 176.870 -0.114 0.000 1.070 166 L CA -0.428 54.350 54.840 -0.103 0.000 0.805 166 L CB 0.731 42.708 42.059 -0.137 0.000 1.174 166 L HN 0.557 nan 8.230 nan 0.000 0.434 167 I N 7.030 127.550 120.570 -0.083 0.000 2.312 167 I HA 0.378 4.561 4.170 0.022 0.000 0.290 167 I C -0.218 175.854 176.117 -0.075 0.000 1.008 167 I CA -0.156 61.105 61.300 -0.065 0.000 1.226 167 I CB 0.810 38.795 38.000 -0.026 0.000 1.371 167 I HN 0.634 nan 8.210 nan 0.000 0.468 168 I N 4.822 125.337 120.570 -0.093 0.000 2.582 168 I HA 0.852 5.035 4.170 0.022 0.000 0.292 168 I C -0.294 175.836 176.117 0.021 0.000 1.066 168 I CA 0.039 61.300 61.300 -0.064 0.000 1.053 168 I CB 2.190 40.103 38.000 -0.144 0.000 1.241 168 I HN 0.707 nan 8.210 nan 0.000 0.421 169 G N 5.188 114.010 108.800 0.036 0.000 2.349 169 G HA2 0.213 4.186 3.960 0.022 0.000 0.294 169 G HA3 0.213 4.186 3.960 0.022 0.000 0.294 169 G C -1.888 173.026 174.900 0.024 0.000 1.380 169 G CA -0.678 44.454 45.100 0.053 0.000 0.811 169 G HN 0.489 nan 8.290 nan 0.000 0.519 170 D N -0.046 120.361 120.400 0.011 0.000 2.414 170 D HA 0.327 4.980 4.640 0.022 0.000 0.259 170 D C 1.080 177.365 176.300 -0.025 0.000 1.269 170 D CA -0.212 53.789 54.000 0.002 0.000 1.028 170 D CB 0.443 41.246 40.800 0.004 0.000 1.093 170 D HN 0.680 nan 8.370 nan 0.000 0.545 171 R N 0.087 120.579 120.500 -0.014 0.000 2.679 171 R HA 0.021 4.374 4.340 0.022 0.000 0.268 171 R C -0.103 176.159 176.300 -0.063 0.000 1.044 171 R CA -0.211 55.877 56.100 -0.020 0.000 1.105 171 R CB 0.161 30.465 30.300 0.005 0.000 0.989 171 R HN 0.225 nan 8.270 nan 0.000 0.447 172 Q N 0.038 119.790 119.800 -0.080 0.000 2.475 172 Q HA -0.148 4.205 4.340 0.022 0.000 0.280 172 Q C -0.006 175.741 176.000 -0.421 0.000 1.234 172 Q CA 1.710 57.424 55.803 -0.149 0.000 0.873 172 Q CB -1.624 27.078 28.738 -0.061 0.000 1.256 172 Q HN 0.991 nan 8.270 nan 0.000 0.475 173 T N -4.502 109.798 114.554 -0.424 0.000 3.069 173 T HA 0.426 4.789 4.350 0.022 0.000 0.252 173 T C 1.087 175.428 174.700 -0.598 0.000 1.053 173 T CA 0.514 62.176 62.100 -0.730 0.000 0.964 173 T CB 0.995 69.677 68.868 -0.310 0.000 1.005 173 T HN 0.764 nan 8.240 nan 0.000 0.532 174 G N 1.848 110.467 108.800 -0.303 0.000 2.207 174 G HA2 -0.230 3.743 3.960 0.022 0.000 0.216 174 G HA3 -0.230 3.743 3.960 0.022 0.000 0.216 174 G C 0.539 175.437 174.900 -0.004 0.000 1.053 174 G CA 0.198 45.279 45.100 -0.032 0.000 0.764 174 G HN 0.497 nan 8.290 nan 0.000 0.495 175 K N -0.546 119.840 120.400 -0.023 0.000 1.980 175 K HA 0.002 4.335 4.320 0.022 0.000 0.208 175 K C 2.673 179.291 176.600 0.030 0.000 1.043 175 K CA 1.787 58.077 56.287 0.005 0.000 0.938 175 K CB -0.419 32.080 32.500 -0.002 0.000 0.724 175 K HN 0.249 nan 8.250 nan 0.000 0.438 176 T N 1.304 115.887 114.554 0.048 0.000 2.685 176 T HA -0.183 4.180 4.350 0.022 0.000 0.268 176 T C 2.050 176.776 174.700 0.043 0.000 1.034 176 T CA 1.811 63.962 62.100 0.085 0.000 1.149 176 T CB -0.393 68.537 68.868 0.102 0.000 0.860 176 T HN 0.145 nan 8.240 nan 0.000 0.449 177 S N 0.790 116.499 115.700 0.015 0.000 2.420 177 S HA -0.056 4.428 4.470 0.022 0.000 0.237 177 S C 1.936 176.522 174.600 -0.023 0.000 1.023 177 S CA 0.871 59.054 58.200 -0.030 0.000 0.991 177 S CB -0.449 62.724 63.200 -0.044 0.000 0.792 177 S HN 0.468 nan 8.310 nan 0.000 0.488 178 I N 1.001 121.576 120.570 0.008 0.000 2.406 178 I HA -0.128 4.055 4.170 0.022 0.000 0.249 178 I C 2.636 178.765 176.117 0.021 0.000 1.122 178 I CA 0.801 62.107 61.300 0.011 0.000 1.431 178 I CB -0.508 37.504 38.000 0.020 0.000 1.087 178 I HN 0.271 nan 8.210 nan 0.000 0.424 179 A N 1.663 124.509 122.820 0.043 0.000 1.865 179 A HA -0.196 4.137 4.320 0.022 0.000 0.217 179 A C 2.170 179.782 177.584 0.047 0.000 1.191 179 A CA 1.468 53.546 52.037 0.069 0.000 0.623 179 A CB -0.579 18.515 19.000 0.156 0.000 0.826 179 A HN 0.245 nan 8.150 nan 0.000 0.444 180 I N 0.718 121.296 120.570 0.014 0.000 2.058 180 I HA -0.240 3.943 4.170 0.022 0.000 0.235 180 I C 1.966 178.100 176.117 0.029 0.000 1.053 180 I CA 1.926 63.224 61.300 -0.003 0.000 1.313 180 I CB -2.002 35.993 38.000 -0.009 0.000 1.039 180 I HN 0.271 nan 8.210 nan 0.000 0.396 181 D N 0.721 121.124 120.400 0.005 0.000 2.191 181 D HA -0.181 4.472 4.640 0.022 0.000 0.195 181 D C 2.169 178.498 176.300 0.049 0.000 1.003 181 D CA 1.876 55.889 54.000 0.022 0.000 0.867 181 D CB -0.436 40.355 40.800 -0.014 0.000 0.926 181 D HN 0.341 nan 8.370 nan 0.000 0.450 182 T N 0.407 114.986 114.554 0.041 0.000 2.708 182 T HA -0.082 4.281 4.350 0.022 0.000 0.266 182 T C 2.180 176.925 174.700 0.075 0.000 1.037 182 T CA 0.665 62.794 62.100 0.047 0.000 1.146 182 T CB -0.234 68.651 68.868 0.029 0.000 0.865 182 T HN 0.185 nan 8.240 nan 0.000 0.435 183 I N 0.533 121.156 120.570 0.088 0.000 2.127 183 I HA -0.154 4.029 4.170 0.022 0.000 0.241 183 I C 2.336 178.600 176.117 0.245 0.000 1.075 183 I CA 1.410 62.802 61.300 0.152 0.000 1.334 183 I CB -0.411 37.650 38.000 0.102 0.000 1.040 183 I HN 0.192 nan 8.210 nan 0.000 0.405 184 I N 0.897 121.571 120.570 0.173 0.000 2.208 184 I HA -0.341 3.842 4.170 0.022 0.000 0.245 184 I C 2.230 178.459 176.117 0.188 0.000 1.097 184 I CA 1.751 63.165 61.300 0.190 0.000 1.363 184 I CB -0.442 37.637 38.000 0.132 0.000 1.051 184 I HN 0.339 nan 8.210 nan 0.000 0.413 185 N N 0.253 119.038 118.700 0.141 0.000 2.443 185 N HA -0.229 4.524 4.740 0.022 0.000 0.184 185 N C 1.790 177.415 175.510 0.191 0.000 1.037 185 N CA 0.883 54.011 53.050 0.130 0.000 0.896 185 N CB 0.126 38.688 38.487 0.126 0.000 0.959 185 N HN 0.159 nan 8.380 nan 0.000 0.442 186 Q N 0.629 120.519 119.800 0.150 0.000 2.230 186 Q HA -0.023 4.330 4.340 0.022 0.000 0.202 186 Q C 1.640 177.583 176.000 -0.095 0.000 0.963 186 Q CA 0.875 56.709 55.803 0.052 0.000 0.866 186 Q CB -0.205 28.387 28.738 -0.243 0.000 0.931 186 Q HN 0.391 nan 8.270 nan 0.000 0.452 187 K N 0.705 121.050 120.400 -0.091 0.000 2.160 187 K HA -0.220 4.113 4.320 0.022 0.000 0.206 187 K C 1.857 178.400 176.600 -0.094 0.000 1.047 187 K CA 1.445 57.708 56.287 -0.041 0.000 0.930 187 K CB -0.054 32.576 32.500 0.218 0.000 0.720 187 K HN 0.193 nan 8.250 nan 0.000 0.450 188 R N -0.138 120.260 120.500 -0.170 0.000 2.200 188 R HA -0.156 4.197 4.340 0.022 0.000 0.234 188 R C 1.097 177.093 176.300 -0.507 0.000 1.127 188 R CA 1.627 57.491 56.100 -0.394 0.000 0.989 188 R CB -0.243 29.730 30.300 -0.545 0.000 0.869 188 R HN 0.199 nan 8.270 nan 0.000 0.459 189 F N 0.273 120.126 119.950 -0.163 0.000 2.602 189 F HA 0.302 4.842 4.527 0.021 0.000 0.284 189 F C 1.819 177.501 175.800 -0.198 0.000 1.111 189 F CA -0.384 57.520 58.000 -0.161 0.000 1.405 189 F CB -0.422 38.475 39.000 -0.172 0.000 1.121 189 F HN -0.107 nan 8.300 nan 0.000 0.603 190 N N 0.519 119.169 118.700 -0.084 0.000 2.309 190 N HA -0.133 4.620 4.740 0.022 0.000 0.182 190 N C 0.678 176.141 175.510 -0.079 0.000 1.018 190 N CA 1.240 54.166 53.050 -0.206 0.000 0.876 190 N CB -0.320 37.872 38.487 -0.492 0.000 0.972 190 N HN 0.221 nan 8.380 nan 0.000 0.434 191 D N 0.053 120.421 120.400 -0.054 0.000 2.328 191 D HA 0.116 4.769 4.640 0.022 0.000 0.226 191 D C 0.982 177.267 176.300 -0.025 0.000 1.066 191 D CA 0.069 54.057 54.000 -0.019 0.000 0.861 191 D CB -0.070 40.721 40.800 -0.015 0.000 0.912 191 D HN 0.141 nan 8.370 nan 0.000 0.521 192 G N -0.740 108.044 108.800 -0.027 0.000 2.537 192 G HA2 0.289 4.262 3.960 0.022 0.000 0.297 192 G HA3 0.289 4.262 3.960 0.022 0.000 0.297 192 G C 1.067 175.969 174.900 0.004 0.000 1.310 192 G CA -0.170 44.920 45.100 -0.017 0.000 1.027 192 G HN 0.018 nan 8.290 nan 0.000 0.505 193 T N -0.353 114.206 114.554 0.008 0.000 2.781 193 T HA -0.004 4.359 4.350 0.022 0.000 0.252 193 T C 0.853 175.570 174.700 0.028 0.000 1.039 193 T CA 0.839 62.948 62.100 0.016 0.000 1.147 193 T CB -0.253 68.622 68.868 0.011 0.000 0.865 193 T HN 0.461 nan 8.240 nan 0.000 0.423 194 D N 2.203 122.623 120.400 0.033 0.000 2.412 194 D HA -0.008 4.646 4.640 0.022 0.000 0.257 194 D C 1.036 177.365 176.300 0.050 0.000 1.217 194 D CA -0.069 53.956 54.000 0.042 0.000 0.897 194 D CB 0.685 41.512 40.800 0.045 0.000 1.132 194 D HN 0.213 nan 8.370 nan 0.000 0.493 195 E N 3.414 123.648 120.200 0.057 0.000 2.347 195 E HA -0.123 4.240 4.350 0.022 0.000 0.196 195 E C 1.001 177.658 176.600 0.094 0.000 1.008 195 E CA 0.621 57.066 56.400 0.075 0.000 0.852 195 E CB -0.007 29.745 29.700 0.087 0.000 0.783 195 E HN 0.565 nan 8.360 nan 0.000 0.505 196 K N 0.566 121.021 120.400 0.093 0.000 2.444 196 K HA 0.098 4.431 4.320 0.022 0.000 0.193 196 K C 1.559 178.226 176.600 0.111 0.000 1.024 196 K CA 0.221 56.595 56.287 0.145 0.000 1.077 196 K CB 0.378 32.947 32.500 0.116 0.000 0.833 196 K HN -0.109 nan 8.250 nan 0.000 0.517 197 K N 0.711 121.137 120.400 0.044 0.000 2.373 197 K HA 0.122 4.455 4.320 0.022 0.000 0.202 197 K C -0.111 176.413 176.600 -0.127 0.000 1.025 197 K CA 0.124 56.388 56.287 -0.037 0.000 1.115 197 K CB 0.631 33.176 32.500 0.074 0.000 0.858 197 K HN 0.056 nan 8.250 nan 0.000 0.525 198 K N 0.759 121.109 120.400 -0.083 0.000 2.109 198 K HA 0.386 4.719 4.320 0.022 0.000 0.243 198 K C -0.751 175.682 176.600 -0.280 0.000 1.006 198 K CA -0.804 55.354 56.287 -0.215 0.000 0.917 198 K CB 1.032 33.379 32.500 -0.256 0.000 1.081 198 K HN -0.197 nan 8.250 nan 0.000 0.468 199 L N 2.186 123.131 121.223 -0.463 0.000 2.611 199 L HA 0.271 4.624 4.340 0.022 0.000 0.263 199 L C -1.793 174.801 176.870 -0.460 0.000 0.969 199 L CA -0.304 54.320 54.840 -0.360 0.000 0.894 199 L CB 0.854 42.718 42.059 -0.325 0.000 1.229 199 L HN 0.453 nan 8.230 nan 0.000 0.416 200 Y N 2.870 123.011 120.300 -0.265 0.000 2.335 200 Y HA 0.424 4.987 4.550 0.022 0.000 0.331 200 Y C 0.651 176.441 175.900 -0.182 0.000 1.094 200 Y CA -0.170 57.758 58.100 -0.287 0.000 1.253 200 Y CB 0.718 38.715 38.460 -0.771 0.000 1.203 200 Y HN 0.473 nan 8.280 nan 0.000 0.508 201 C N 4.599 123.967 119.300 0.112 0.000 2.370 201 C HA 0.697 5.170 4.460 0.022 0.000 0.354 201 C C -0.067 174.964 174.990 0.069 0.000 1.218 201 C CA -0.882 58.187 59.018 0.084 0.000 2.154 201 C CB -0.122 27.707 27.740 0.150 0.000 2.391 201 C HN 0.562 nan 8.230 nan 0.000 0.540 202 I N 1.996 122.587 120.570 0.034 0.000 2.498 202 I HA 0.334 4.517 4.170 0.022 0.000 0.290 202 I C -0.719 175.410 176.117 0.021 0.000 1.032 202 I CA -0.351 60.964 61.300 0.025 0.000 1.073 202 I CB 1.005 39.003 38.000 -0.004 0.000 1.251 202 I HN 0.632 nan 8.210 nan 0.000 0.426 203 Y N 6.569 126.823 120.300 -0.077 0.000 2.338 203 Y HA 0.707 5.270 4.550 0.021 0.000 0.328 203 Y C -1.075 174.777 175.900 -0.080 0.000 0.965 203 Y CA -0.921 57.127 58.100 -0.086 0.000 1.208 203 Y CB 1.202 39.633 38.460 -0.049 0.000 1.132 203 Y HN 0.326 nan 8.280 nan 0.000 0.469 204 V N 5.777 125.391 119.914 -0.501 0.000 2.407 204 V HA 0.746 4.879 4.120 0.022 0.000 0.278 204 V C 0.047 175.857 176.094 -0.473 0.000 1.037 204 V CA -0.531 61.561 62.300 -0.347 0.000 0.900 204 V CB 0.949 32.645 31.823 -0.211 0.000 0.983 204 V HN 0.899 nan 8.190 nan 0.000 0.459 205 A N 6.885 129.561 122.820 -0.239 0.000 2.287 205 A HA 0.890 5.223 4.320 0.022 0.000 0.317 205 A C -0.637 176.914 177.584 -0.055 0.000 1.220 205 A CA -0.486 51.467 52.037 -0.139 0.000 0.835 205 A CB 0.440 19.469 19.000 0.048 0.000 1.180 205 A HN 0.798 nan 8.150 nan 0.000 0.500 206 I N 1.810 122.353 120.570 -0.045 0.000 2.466 206 I HA 0.568 4.751 4.170 0.022 0.000 0.289 206 I C 1.163 177.293 176.117 0.022 0.000 1.026 206 I CA -0.232 61.066 61.300 -0.004 0.000 1.078 206 I CB 1.866 39.856 38.000 -0.016 0.000 1.249 206 I HN 0.968 nan 8.210 nan 0.000 0.429 207 G N 3.599 112.425 108.800 0.042 0.000 2.228 207 G HA2 -0.227 3.746 3.960 0.022 0.000 0.270 207 G HA3 -0.227 3.746 3.960 0.022 0.000 0.270 207 G C 0.495 175.423 174.900 0.047 0.000 0.976 207 G CA 0.065 45.195 45.100 0.049 0.000 0.636 207 G HN 0.604 nan 8.290 nan 0.000 0.542 208 Q N 0.018 119.847 119.800 0.048 0.000 2.697 208 Q HA 0.452 4.805 4.340 0.022 0.000 0.196 208 Q C 0.486 176.519 176.000 0.053 0.000 1.121 208 Q CA 0.148 55.985 55.803 0.057 0.000 1.151 208 Q CB 0.369 29.154 28.738 0.078 0.000 1.250 208 Q HN 0.456 nan 8.270 nan 0.000 0.658 209 K N 0.675 121.107 120.400 0.054 0.000 2.156 209 K HA 0.200 4.533 4.320 0.022 0.000 0.271 209 K C 1.308 177.936 176.600 0.047 0.000 0.995 209 K CA -0.359 55.955 56.287 0.046 0.000 0.890 209 K CB 0.970 33.496 32.500 0.043 0.000 1.073 209 K HN 0.368 nan 8.250 nan 0.000 0.454 210 R N 0.866 121.390 120.500 0.041 0.000 2.073 210 R HA -0.145 4.208 4.340 0.022 0.000 0.234 210 R C 1.777 178.097 176.300 0.034 0.000 1.134 210 R CA 1.810 57.934 56.100 0.039 0.000 0.952 210 R CB -0.519 29.800 30.300 0.032 0.000 0.850 210 R HN 0.628 nan 8.270 nan 0.000 0.433 211 S N 0.991 116.708 115.700 0.029 0.000 2.399 211 S HA -0.221 4.262 4.470 0.022 0.000 0.235 211 S C 1.998 176.613 174.600 0.026 0.000 1.063 211 S CA 2.289 60.504 58.200 0.024 0.000 1.070 211 S CB -0.812 62.402 63.200 0.024 0.000 0.904 211 S HN 0.408 nan 8.310 nan 0.000 0.456 212 T N 1.913 116.489 114.554 0.036 0.000 2.812 212 T HA 0.031 4.395 4.350 0.022 0.000 0.264 212 T C 1.985 176.708 174.700 0.037 0.000 1.042 212 T CA 1.165 63.289 62.100 0.040 0.000 1.140 212 T CB -0.491 68.411 68.868 0.057 0.000 0.870 212 T HN 0.295 nan 8.240 nan 0.000 0.445 213 V N 1.922 121.867 119.914 0.052 0.000 2.307 213 V HA -0.092 4.041 4.120 0.022 0.000 0.245 213 V C 2.992 179.095 176.094 0.015 0.000 1.045 213 V CA 1.522 63.855 62.300 0.055 0.000 1.024 213 V CB -1.295 30.579 31.823 0.086 0.000 0.651 213 V HN 0.519 nan 8.190 nan 0.000 0.449 214 A N -0.499 122.330 122.820 0.015 0.000 1.940 214 A HA -0.299 4.034 4.320 0.022 0.000 0.219 214 A C 2.161 179.738 177.584 -0.012 0.000 1.176 214 A CA 2.059 54.097 52.037 0.002 0.000 0.631 214 A CB -0.448 18.556 19.000 0.007 0.000 0.814 214 A HN 0.662 nan 8.150 nan 0.000 0.446 215 Q N -0.952 118.843 119.800 -0.009 0.000 2.331 215 Q HA 0.129 4.482 4.340 0.022 0.000 0.203 215 Q C 1.985 177.963 176.000 -0.037 0.000 0.944 215 Q CA 0.362 56.153 55.803 -0.019 0.000 0.892 215 Q CB -0.099 28.636 28.738 -0.005 0.000 0.983 215 Q HN 0.602 nan 8.270 nan 0.000 0.482 216 L N 1.059 122.255 121.223 -0.044 0.000 2.027 216 L HA -0.121 4.232 4.340 0.022 0.000 0.206 216 L C 2.355 179.157 176.870 -0.113 0.000 1.074 216 L CA 1.674 56.458 54.840 -0.094 0.000 0.745 216 L CB -0.540 41.435 42.059 -0.141 0.000 0.898 216 L HN 0.268 nan 8.230 nan 0.000 0.433 217 V N -2.000 117.862 119.914 -0.087 0.000 2.548 217 V HA -0.169 3.964 4.120 0.022 0.000 0.249 217 V C 2.650 178.697 176.094 -0.080 0.000 1.055 217 V CA 1.380 63.629 62.300 -0.084 0.000 1.065 217 V CB -0.669 31.121 31.823 -0.056 0.000 0.681 217 V HN 0.297 nan 8.190 nan 0.000 0.462 218 K N 1.344 121.704 120.400 -0.067 0.000 2.032 218 K HA -0.236 4.097 4.320 0.022 0.000 0.209 218 K C 2.392 178.937 176.600 -0.091 0.000 1.048 218 K CA 2.430 58.676 56.287 -0.068 0.000 0.927 218 K CB -0.657 31.808 32.500 -0.058 0.000 0.712 218 K HN 0.538 nan 8.250 nan 0.000 0.441 219 R N 0.812 121.251 120.500 -0.102 0.000 2.081 219 R HA 0.011 4.364 4.340 0.022 0.000 0.235 219 R C 2.408 178.637 176.300 -0.118 0.000 1.131 219 R CA 1.332 57.350 56.100 -0.138 0.000 0.960 219 R CB -0.597 29.629 30.300 -0.123 0.000 0.856 219 R HN 0.252 nan 8.270 nan 0.000 0.436 220 L N -0.725 120.432 121.223 -0.109 0.000 2.056 220 L HA -0.139 4.214 4.340 0.022 0.000 0.207 220 L C 2.213 179.005 176.870 -0.131 0.000 1.078 220 L CA 1.782 56.548 54.840 -0.124 0.000 0.749 220 L CB -0.693 41.277 42.059 -0.148 0.000 0.901 220 L HN 0.288 nan 8.230 nan 0.000 0.433 221 T N -0.570 113.917 114.554 -0.112 0.000 2.643 221 T HA -0.175 4.188 4.350 0.022 0.000 0.264 221 T C 1.362 176.010 174.700 -0.087 0.000 1.045 221 T CA 1.625 63.667 62.100 -0.096 0.000 1.155 221 T CB -0.208 68.615 68.868 -0.075 0.000 0.863 221 T HN 0.320 nan 8.240 nan 0.000 0.420 222 D N 1.264 121.611 120.400 -0.088 0.000 2.309 222 D HA 0.011 4.664 4.640 0.022 0.000 0.212 222 D C 1.647 177.900 176.300 -0.078 0.000 0.968 222 D CA 0.647 54.597 54.000 -0.082 0.000 0.882 222 D CB -0.194 40.547 40.800 -0.097 0.000 0.918 222 D HN 0.437 nan 8.370 nan 0.000 0.503 223 A N 0.217 122.988 122.820 -0.081 0.000 2.308 223 A HA 0.081 4.414 4.320 0.022 0.000 0.217 223 A C 0.383 177.942 177.584 -0.042 0.000 1.216 223 A CA 0.114 52.120 52.037 -0.051 0.000 0.864 223 A CB 0.179 19.161 19.000 -0.030 0.000 0.902 223 A HN -0.005 nan 8.150 nan 0.000 0.499 224 D N -2.220 118.136 120.400 -0.073 0.000 2.705 224 D HA -0.182 4.471 4.640 0.022 0.000 0.240 224 D C 0.606 176.824 176.300 -0.136 0.000 1.137 224 D CA 1.010 54.965 54.000 -0.074 0.000 0.677 224 D CB -1.202 39.588 40.800 -0.017 0.000 1.049 224 D HN 0.519 nan 8.370 nan 0.000 0.427 225 A N 0.161 122.790 122.820 -0.318 0.000 2.312 225 A HA 0.180 4.513 4.320 0.022 0.000 0.215 225 A C 2.007 179.033 177.584 -0.929 0.000 1.256 225 A CA 0.174 51.700 52.037 -0.851 0.000 0.966 225 A CB 0.109 18.852 19.000 -0.429 0.000 1.053 225 A HN 0.291 nan 8.150 nan 0.000 0.510 226 M N 1.255 120.600 119.600 -0.425 0.000 2.213 226 M HA -0.144 4.349 4.480 0.022 0.000 0.263 226 M C 1.978 178.142 176.300 -0.226 0.000 1.062 226 M CA 1.887 57.024 55.300 -0.271 0.000 1.105 226 M CB -0.911 31.599 32.600 -0.150 0.000 1.385 226 M HN 0.675 nan 8.290 nan 0.000 0.417 227 K N 0.593 120.860 120.400 -0.222 0.000 2.160 227 K HA -0.194 4.140 4.320 0.022 0.000 0.206 227 K C 0.904 177.521 176.600 0.029 0.000 1.047 227 K CA 1.883 58.135 56.287 -0.057 0.000 0.930 227 K CB -0.848 31.659 32.500 0.011 0.000 0.720 227 K HN 0.515 nan 8.250 nan 0.000 0.450 228 Y N -0.720 119.599 120.300 0.032 0.000 2.720 228 Y HA 0.512 5.075 4.550 0.022 0.000 0.268 228 Y C -0.603 175.324 175.900 0.045 0.000 1.142 228 Y CA -1.122 57.008 58.100 0.050 0.000 1.193 228 Y CB 0.029 38.457 38.460 -0.055 0.000 1.176 228 Y HN -0.214 nan 8.280 nan 0.000 0.542 229 T N 2.042 116.584 114.554 -0.019 0.000 2.893 229 T HA 0.640 5.003 4.350 0.022 0.000 0.291 229 T C -0.452 174.271 174.700 0.038 0.000 1.028 229 T CA -0.496 61.614 62.100 0.017 0.000 0.995 229 T CB 1.862 70.674 68.868 -0.094 0.000 1.051 229 T HN 0.179 nan 8.240 nan 0.000 0.470 230 I N 1.454 122.062 120.570 0.065 0.000 2.750 230 I HA 0.696 4.879 4.170 0.022 0.000 0.308 230 I C -0.815 175.337 176.117 0.058 0.000 1.016 230 I CA -1.141 60.194 61.300 0.059 0.000 1.098 230 I CB 2.055 40.101 38.000 0.076 0.000 1.279 230 I HN 0.203 nan 8.210 nan 0.000 0.454 231 V N 4.602 124.546 119.914 0.050 0.000 2.532 231 V HA 0.263 4.396 4.120 0.022 0.000 0.294 231 V C -0.444 175.681 176.094 0.051 0.000 1.036 231 V CA -0.603 61.745 62.300 0.081 0.000 0.876 231 V CB 1.901 33.778 31.823 0.091 0.000 1.012 231 V HN 0.375 nan 8.190 nan 0.000 0.432 232 V N 3.399 123.330 119.914 0.028 0.000 2.439 232 V HA 0.558 4.691 4.120 0.022 0.000 0.282 232 V C 0.380 176.478 176.094 0.007 0.000 1.039 232 V CA -0.126 62.175 62.300 0.002 0.000 0.913 232 V CB 1.698 33.506 31.823 -0.025 0.000 0.983 232 V HN 0.813 nan 8.190 nan 0.000 0.460 233 S N 3.160 118.870 115.700 0.016 0.000 2.519 233 S HA 0.764 5.247 4.470 0.022 0.000 0.309 233 S C -0.090 174.522 174.600 0.020 0.000 1.100 233 S CA -0.368 57.848 58.200 0.025 0.000 1.059 233 S CB 1.493 64.718 63.200 0.042 0.000 1.008 233 S HN 1.039 nan 8.310 nan 0.000 0.478 234 A N 3.344 126.176 122.820 0.020 0.000 2.646 234 A HA 0.606 4.939 4.320 0.022 0.000 0.312 234 A C 0.308 177.917 177.584 0.041 0.000 1.245 234 A CA -0.709 51.348 52.037 0.034 0.000 0.755 234 A CB 0.051 19.072 19.000 0.035 0.000 1.132 234 A HN 0.688 nan 8.150 nan 0.000 0.458 235 T N -1.468 113.113 114.554 0.045 0.000 2.849 235 T HA 0.591 4.954 4.350 0.022 0.000 0.276 235 T C 1.586 176.316 174.700 0.049 0.000 0.971 235 T CA 0.058 62.187 62.100 0.047 0.000 0.949 235 T CB 1.087 69.982 68.868 0.046 0.000 1.093 235 T HN 1.229 nan 8.240 nan 0.000 0.545 236 A N 0.160 123.009 122.820 0.047 0.000 2.104 236 A HA -0.102 4.231 4.320 0.022 0.000 0.223 236 A C 2.359 179.969 177.584 0.044 0.000 1.164 236 A CA 2.249 54.313 52.037 0.046 0.000 0.659 236 A CB -1.229 17.796 19.000 0.042 0.000 0.808 236 A HN 0.801 nan 8.150 nan 0.000 0.465 237 S N -0.982 114.744 115.700 0.042 0.000 2.539 237 S HA 0.110 4.593 4.470 0.022 0.000 0.221 237 S C -0.077 174.550 174.600 0.044 0.000 0.987 237 S CA -0.477 57.747 58.200 0.039 0.000 0.929 237 S CB -0.195 63.025 63.200 0.034 0.000 0.832 237 S HN 0.514 nan 8.310 nan 0.000 0.492 238 D N 2.399 122.831 120.400 0.053 0.000 2.304 238 D HA 0.423 5.076 4.640 0.022 0.000 0.247 238 D C 0.265 176.611 176.300 0.077 0.000 1.089 238 D CA 0.040 54.078 54.000 0.064 0.000 0.910 238 D CB 1.514 42.355 40.800 0.068 0.000 1.199 238 D HN 0.367 nan 8.370 nan 0.000 0.426 239 A N 1.440 124.310 122.820 0.083 0.000 2.561 239 A HA 0.242 4.575 4.320 0.022 0.000 0.234 239 A C 1.483 179.140 177.584 0.121 0.000 1.055 239 A CA 0.532 52.621 52.037 0.087 0.000 0.756 239 A CB 0.163 19.212 19.000 0.082 0.000 0.986 239 A HN 0.664 nan 8.150 nan 0.000 0.505 240 A N 3.608 126.494 122.820 0.110 0.000 1.903 240 A HA -0.128 4.205 4.320 0.022 0.000 0.219 240 A C -0.031 177.695 177.584 0.238 0.000 1.191 240 A CA 2.242 54.367 52.037 0.147 0.000 0.638 240 A CB -1.809 17.255 19.000 0.106 0.000 0.823 240 A HN 0.668 nan 8.150 nan 0.000 0.451 241 P HA -0.141 nan 4.420 nan 0.000 0.217 241 P C 1.335 178.928 177.300 0.489 0.000 1.148 241 P CA 1.000 64.336 63.100 0.393 0.000 0.828 241 P CB -0.158 31.656 31.700 0.190 0.000 0.783 242 L N -1.159 120.271 121.223 0.346 0.000 2.131 242 L HA -0.119 4.234 4.340 0.022 0.000 0.206 242 L C 2.663 179.630 176.870 0.162 0.000 1.087 242 L CA 1.334 56.321 54.840 0.244 0.000 0.767 242 L CB -1.043 41.120 42.059 0.173 0.000 0.917 242 L HN -0.051 nan 8.230 nan 0.000 0.441 243 Q N -0.867 119.037 119.800 0.173 0.000 2.124 243 Q HA -0.247 4.106 4.340 0.022 0.000 0.202 243 Q C 2.135 178.231 176.000 0.160 0.000 0.977 243 Q CA 1.834 57.717 55.803 0.134 0.000 0.850 243 Q CB -0.366 28.452 28.738 0.133 0.000 0.901 243 Q HN 0.486 nan 8.270 nan 0.000 0.429 244 Y N 1.434 121.822 120.300 0.146 0.000 2.114 244 Y HA -0.254 4.308 4.550 0.020 0.000 0.284 244 Y C 1.953 177.969 175.900 0.192 0.000 1.143 244 Y CA 1.265 59.468 58.100 0.173 0.000 1.135 244 Y CB -0.595 38.009 38.460 0.240 0.000 0.980 244 Y HN 0.073 nan 8.280 nan 0.000 0.499 245 L N 1.061 122.145 121.223 -0.231 0.000 2.017 245 L HA -0.066 4.287 4.340 0.022 0.000 0.208 245 L C 2.656 179.447 176.870 -0.132 0.000 1.073 245 L CA 2.130 56.821 54.840 -0.248 0.000 0.745 245 L CB -1.587 40.409 42.059 -0.104 0.000 0.894 245 L HN 0.377 nan 8.230 nan 0.000 0.432 246 A N 0.487 123.252 122.820 -0.091 0.000 1.916 246 A HA -0.302 4.031 4.320 0.022 0.000 0.224 246 A C 0.028 177.549 177.584 -0.106 0.000 1.366 246 A CA 2.883 54.872 52.037 -0.080 0.000 0.692 246 A CB -2.595 16.378 19.000 -0.044 0.000 0.841 246 A HN 0.510 nan 8.150 nan 0.000 0.480 247 P HA -0.144 nan 4.420 nan 0.000 0.218 247 P C 1.002 178.167 177.300 -0.224 0.000 1.149 247 P CA 1.464 64.451 63.100 -0.187 0.000 0.817 247 P CB -0.296 31.108 31.700 -0.494 0.000 0.785 248 Y N 0.370 120.609 120.300 -0.102 0.000 2.200 248 Y HA -0.088 4.474 4.550 0.020 0.000 0.290 248 Y C 2.846 178.709 175.900 -0.061 0.000 1.137 248 Y CA 1.233 59.268 58.100 -0.108 0.000 1.163 248 Y CB -1.430 36.910 38.460 -0.201 0.000 0.988 248 Y HN -0.071 nan 8.280 nan 0.000 0.518 249 S N -0.073 115.657 115.700 0.050 0.000 2.354 249 S HA -0.201 4.282 4.470 0.022 0.000 0.219 249 S C 2.491 177.099 174.600 0.013 0.000 1.035 249 S CA 1.440 59.641 58.200 0.002 0.000 1.037 249 S CB -1.205 61.969 63.200 -0.043 0.000 0.956 249 S HN 0.639 nan 8.310 nan 0.000 0.428 250 G N 0.285 109.088 108.800 0.004 0.000 2.505 250 G HA2 -0.338 3.635 3.960 0.022 0.000 0.220 250 G HA3 -0.338 3.635 3.960 0.022 0.000 0.220 250 G C 1.780 176.699 174.900 0.032 0.000 1.145 250 G CA 1.264 46.363 45.100 -0.002 0.000 0.761 250 G HN 0.600 nan 8.290 nan 0.000 0.571 251 C N 0.348 119.702 119.300 0.090 0.000 2.413 251 C HA -0.044 4.429 4.460 0.022 0.000 0.276 251 C C 3.258 178.305 174.990 0.094 0.000 1.236 251 C CA 1.787 60.879 59.018 0.123 0.000 1.735 251 C CB -1.057 26.792 27.740 0.182 0.000 2.031 251 C HN 0.367 nan 8.230 nan 0.000 0.474 252 S N 0.443 116.187 115.700 0.074 0.000 2.383 252 S HA -0.195 4.288 4.470 0.022 0.000 0.229 252 S C 1.749 176.381 174.600 0.053 0.000 1.030 252 S CA 2.170 60.402 58.200 0.054 0.000 1.002 252 S CB -0.358 62.859 63.200 0.028 0.000 0.829 252 S HN 0.681 nan 8.310 nan 0.000 0.467 253 M N 0.572 120.201 119.600 0.048 0.000 2.117 253 M HA -0.044 4.449 4.480 0.022 0.000 0.262 253 M C 2.506 178.917 176.300 0.185 0.000 1.065 253 M CA 1.560 56.892 55.300 0.054 0.000 1.114 253 M CB -0.944 31.688 32.600 0.054 0.000 1.361 253 M HN 0.428 nan 8.290 nan 0.000 0.408 254 G N 0.068 108.985 108.800 0.195 0.000 2.432 254 G HA2 -0.181 3.792 3.960 0.022 0.000 0.219 254 G HA3 -0.181 3.792 3.960 0.022 0.000 0.219 254 G C 1.369 176.433 174.900 0.274 0.000 1.135 254 G CA 0.635 45.909 45.100 0.289 0.000 0.767 254 G HN 0.499 nan 8.290 nan 0.000 0.550 255 E N -0.725 119.571 120.200 0.160 0.000 2.150 255 E HA -0.131 4.232 4.350 0.022 0.000 0.193 255 E C 1.914 178.560 176.600 0.077 0.000 0.985 255 E CA 0.670 57.134 56.400 0.107 0.000 0.814 255 E CB -0.213 29.530 29.700 0.070 0.000 0.752 255 E HN 0.635 nan 8.360 nan 0.000 0.466 256 Y N 0.714 120.942 120.300 -0.119 0.000 2.097 256 Y HA -0.311 4.253 4.550 0.023 0.000 0.282 256 Y C 1.708 177.437 175.900 -0.284 0.000 1.152 256 Y CA 1.777 59.710 58.100 -0.278 0.000 1.136 256 Y CB -0.576 37.600 38.460 -0.473 0.000 0.975 256 Y HN -0.063 nan 8.280 nan 0.000 0.498 257 F N 0.564 120.569 119.950 0.091 0.000 2.095 257 F HA -0.195 4.345 4.527 0.021 0.000 0.298 257 F C 2.845 178.573 175.800 -0.120 0.000 1.104 257 F CA 2.053 60.004 58.000 -0.082 0.000 1.232 257 F CB -1.006 38.022 39.000 0.045 0.000 0.987 257 F HN -0.031 nan 8.300 nan 0.000 0.475 258 R N 0.605 121.183 120.500 0.131 0.000 2.096 258 R HA -0.201 4.152 4.340 0.022 0.000 0.240 258 R C 1.648 177.934 176.300 -0.023 0.000 1.139 258 R CA 2.156 58.288 56.100 0.054 0.000 0.952 258 R CB -0.521 29.822 30.300 0.071 0.000 0.854 258 R HN 0.173 nan 8.270 nan 0.000 0.436 259 D N 0.139 120.503 120.400 -0.060 0.000 2.310 259 D HA -0.075 4.578 4.640 0.022 0.000 0.212 259 D C -0.018 176.193 176.300 -0.148 0.000 0.965 259 D CA 0.992 54.942 54.000 -0.082 0.000 0.879 259 D CB -0.132 40.622 40.800 -0.076 0.000 0.921 259 D HN 0.370 nan 8.370 nan 0.000 0.510 260 N N -0.688 117.864 118.700 -0.246 0.000 2.761 260 N HA 0.335 5.088 4.740 0.022 0.000 0.317 260 N C 0.773 176.179 175.510 -0.173 0.000 1.546 260 N CA 0.002 52.900 53.050 -0.254 0.000 1.015 260 N CB 1.178 39.402 38.487 -0.438 0.000 1.343 260 N HN -0.048 nan 8.380 nan 0.000 0.504 261 G N 0.285 109.007 108.800 -0.131 0.000 2.200 261 G HA2 -0.376 3.597 3.960 0.022 0.000 0.268 261 G HA3 -0.376 3.597 3.960 0.022 0.000 0.268 261 G C 0.338 175.103 174.900 -0.225 0.000 0.986 261 G CA 0.816 45.830 45.100 -0.143 0.000 0.677 261 G HN 0.381 nan 8.290 nan 0.000 0.532 262 K N -0.651 119.638 120.400 -0.185 0.000 2.419 262 K HA 0.597 4.930 4.320 0.022 0.000 0.246 262 K C -0.423 176.025 176.600 -0.253 0.000 1.037 262 K CA -0.847 55.372 56.287 -0.113 0.000 0.982 262 K CB 0.711 33.312 32.500 0.167 0.000 1.283 262 K HN 0.266 nan 8.250 nan 0.000 0.500 263 H N -0.377 118.807 119.070 0.191 0.000 2.823 263 H HA 0.412 4.980 4.556 0.022 0.000 0.332 263 H C -1.004 174.377 175.328 0.087 0.000 0.980 263 H CA -0.570 55.537 56.048 0.099 0.000 1.286 263 H CB 1.703 31.466 29.762 0.002 0.000 1.541 263 H HN 0.691 nan 8.280 nan 0.000 0.521 264 A N 2.933 125.867 122.820 0.189 0.000 2.350 264 A HA 0.648 4.981 4.320 0.022 0.000 0.318 264 A C -1.102 176.506 177.584 0.040 0.000 1.132 264 A CA -0.705 51.379 52.037 0.077 0.000 0.811 264 A CB 1.664 20.735 19.000 0.118 0.000 1.313 264 A HN 0.446 nan 8.150 nan 0.000 0.454 265 L N 1.135 122.356 121.223 -0.003 0.000 2.376 265 L HA 0.725 5.078 4.340 0.022 0.000 0.275 265 L C -1.059 175.775 176.870 -0.059 0.000 0.987 265 L CA -0.298 54.525 54.840 -0.028 0.000 0.828 265 L CB 1.243 43.283 42.059 -0.033 0.000 1.249 265 L HN 0.673 nan 8.230 nan 0.000 0.409 266 I N 5.448 125.942 120.570 -0.127 0.000 2.474 266 I HA 0.542 4.725 4.170 0.022 0.000 0.294 266 I C -1.126 174.751 176.117 -0.401 0.000 1.005 266 I CA -0.537 60.584 61.300 -0.298 0.000 1.113 266 I CB 1.424 39.164 38.000 -0.433 0.000 1.289 266 I HN 0.608 nan 8.210 nan 0.000 0.436 267 I N 7.882 128.199 120.570 -0.421 0.000 2.411 267 I HA 0.237 4.420 4.170 0.022 0.000 0.284 267 I C -1.323 174.485 176.117 -0.515 0.000 1.012 267 I CA -0.472 60.625 61.300 -0.340 0.000 1.119 267 I CB 1.049 39.011 38.000 -0.062 0.000 1.261 267 I HN 0.422 nan 8.210 nan 0.000 0.448 268 Y N 4.452 124.618 120.300 -0.224 0.000 2.454 268 Y HA 0.314 4.876 4.550 0.021 0.000 0.345 268 Y C 0.129 175.870 175.900 -0.265 0.000 0.970 268 Y CA -0.663 57.273 58.100 -0.273 0.000 1.204 268 Y CB 0.407 38.712 38.460 -0.258 0.000 1.122 268 Y HN 0.389 nan 8.280 nan 0.000 0.514 269 D N 3.688 123.958 120.400 -0.215 0.000 2.462 269 D HA 0.241 4.894 4.640 0.022 0.000 0.245 269 D C -1.260 174.982 176.300 -0.098 0.000 1.122 269 D CA -0.406 53.502 54.000 -0.153 0.000 0.864 269 D CB 0.844 41.503 40.800 -0.234 0.000 1.098 269 D HN 0.600 nan 8.370 nan 0.000 0.541 270 D N 2.066 122.438 120.400 -0.048 0.000 2.374 270 D HA 0.310 4.963 4.640 0.022 0.000 0.239 270 D C 1.326 177.584 176.300 -0.070 0.000 0.991 270 D CA -0.692 53.280 54.000 -0.046 0.000 0.960 270 D CB 2.025 42.814 40.800 -0.019 0.000 1.284 270 D HN 0.146 nan 8.370 nan 0.000 0.512 271 L N 0.284 121.430 121.223 -0.128 0.000 2.418 271 L HA -0.006 4.347 4.340 0.022 0.000 0.218 271 L C 1.889 178.731 176.870 -0.047 0.000 1.125 271 L CA 0.373 55.079 54.840 -0.223 0.000 0.835 271 L CB -0.141 41.566 42.059 -0.585 0.000 0.953 271 L HN 0.355 nan 8.230 nan 0.000 0.454 272 S N 0.551 116.241 115.700 -0.015 0.000 2.351 272 S HA -0.197 4.286 4.470 0.022 0.000 0.220 272 S C 1.902 176.560 174.600 0.097 0.000 1.035 272 S CA 1.503 59.732 58.200 0.048 0.000 1.031 272 S CB -0.072 63.151 63.200 0.039 0.000 0.928 272 S HN 0.400 nan 8.310 nan 0.000 0.433 273 K N 0.992 121.437 120.400 0.074 0.000 2.211 273 K HA -0.076 4.257 4.320 0.022 0.000 0.203 273 K C 2.362 179.035 176.600 0.122 0.000 1.050 273 K CA 0.721 57.065 56.287 0.094 0.000 0.945 273 K CB -0.147 32.393 32.500 0.068 0.000 0.732 273 K HN 0.416 nan 8.250 nan 0.000 0.451 274 Q N 1.170 121.036 119.800 0.110 0.000 2.079 274 Q HA -0.133 4.220 4.340 0.022 0.000 0.200 274 Q C 2.119 178.264 176.000 0.243 0.000 0.974 274 Q CA 1.369 57.264 55.803 0.154 0.000 0.840 274 Q CB -0.089 28.702 28.738 0.089 0.000 0.898 274 Q HN 0.303 nan 8.270 nan 0.000 0.430 275 A N 0.813 123.781 122.820 0.246 0.000 1.908 275 A HA -0.183 4.150 4.320 0.022 0.000 0.218 275 A C 2.184 180.000 177.584 0.387 0.000 1.181 275 A CA 2.077 54.264 52.037 0.250 0.000 0.627 275 A CB -1.105 17.955 19.000 0.100 0.000 0.818 275 A HN 0.466 nan 8.150 nan 0.000 0.445 276 V N -2.769 117.336 119.914 0.319 0.000 2.667 276 V HA 0.065 4.198 4.120 0.022 0.000 0.252 276 V C 2.429 178.623 176.094 0.168 0.000 1.065 276 V CA 1.681 64.129 62.300 0.246 0.000 1.083 276 V CB -1.255 30.665 31.823 0.161 0.000 0.692 276 V HN 0.523 nan 8.190 nan 0.000 0.468 277 A N -0.291 122.643 122.820 0.191 0.000 1.873 277 A HA -0.161 4.172 4.320 0.022 0.000 0.215 277 A C 2.200 179.899 177.584 0.192 0.000 1.186 277 A CA 1.915 54.058 52.037 0.178 0.000 0.616 277 A CB -1.006 18.124 19.000 0.216 0.000 0.823 277 A HN 0.729 nan 8.150 nan 0.000 0.442 278 Y N 0.701 121.053 120.300 0.088 0.000 2.224 278 Y HA -0.170 4.392 4.550 0.020 0.000 0.289 278 Y C 2.450 178.336 175.900 -0.023 0.000 1.146 278 Y CA 1.806 59.886 58.100 -0.033 0.000 1.182 278 Y CB -0.411 38.040 38.460 -0.015 0.000 0.983 278 Y HN 0.382 nan 8.280 nan 0.000 0.524 279 R N 0.284 120.781 120.500 -0.005 0.000 2.092 279 R HA -0.202 4.151 4.340 0.022 0.000 0.231 279 R C 2.400 178.607 176.300 -0.155 0.000 1.119 279 R CA 1.669 57.692 56.100 -0.129 0.000 0.970 279 R CB -0.456 29.791 30.300 -0.088 0.000 0.864 279 R HN 0.548 nan 8.270 nan 0.000 0.440 280 Q N 0.449 120.204 119.800 -0.074 0.000 2.096 280 Q HA -0.209 4.144 4.340 0.022 0.000 0.204 280 Q C 2.048 177.987 176.000 -0.102 0.000 0.982 280 Q CA 2.097 57.858 55.803 -0.070 0.000 0.850 280 Q CB -0.078 28.649 28.738 -0.019 0.000 0.901 280 Q HN 0.440 nan 8.270 nan 0.000 0.422 281 M N 0.004 119.532 119.600 -0.120 0.000 2.065 281 M HA -0.177 4.316 4.480 0.022 0.000 0.259 281 M C 2.378 178.549 176.300 -0.216 0.000 1.069 281 M CA 1.871 57.081 55.300 -0.149 0.000 1.110 281 M CB -0.155 32.359 32.600 -0.144 0.000 1.328 281 M HN 0.137 nan 8.290 nan 0.000 0.405 282 S N 0.895 116.375 115.700 -0.367 0.000 2.370 282 S HA -0.099 4.384 4.470 0.022 0.000 0.226 282 S C 1.899 176.384 174.600 -0.192 0.000 1.033 282 S CA 1.222 59.220 58.200 -0.335 0.000 1.011 282 S CB -0.591 62.321 63.200 -0.480 0.000 0.852 282 S HN 0.395 nan 8.310 nan 0.000 0.457 283 L N 0.876 122.002 121.223 -0.162 0.000 2.093 283 L HA -0.027 4.326 4.340 0.022 0.000 0.208 283 L C 2.199 179.015 176.870 -0.090 0.000 1.085 283 L CA 0.942 55.715 54.840 -0.112 0.000 0.755 283 L CB -0.633 41.365 42.059 -0.103 0.000 0.904 283 L HN 0.288 nan 8.230 nan 0.000 0.435 284 L N -0.499 120.669 121.223 -0.091 0.000 2.201 284 L HA -0.178 4.175 4.340 0.022 0.000 0.212 284 L C 2.268 179.097 176.870 -0.067 0.000 1.105 284 L CA 0.892 55.690 54.840 -0.070 0.000 0.775 284 L CB -0.266 41.755 42.059 -0.062 0.000 0.913 284 L HN 0.274 nan 8.230 nan 0.000 0.440 285 L N -0.753 120.421 121.223 -0.082 0.000 2.552 285 L HA 0.028 4.381 4.340 0.022 0.000 0.227 285 L C 0.892 177.729 176.870 -0.054 0.000 1.146 285 L CA 0.381 55.182 54.840 -0.065 0.000 0.858 285 L CB -0.063 41.951 42.059 -0.075 0.000 0.969 285 L HN 0.240 nan 8.230 nan 0.000 0.451 286 R N -0.483 119.981 120.500 -0.060 0.000 3.762 286 R HA -0.128 4.225 4.340 0.022 0.000 0.328 286 R C -0.070 176.202 176.300 -0.047 0.000 1.164 286 R CA 0.213 56.284 56.100 -0.049 0.000 0.861 286 R CB -1.635 28.644 30.300 -0.035 0.000 1.408 286 R HN 0.318 nan 8.270 nan 0.000 0.502 287 R N 1.889 122.353 120.500 -0.061 0.000 2.438 287 R HA 0.178 4.531 4.340 0.022 0.000 0.287 287 R C -1.973 174.302 176.300 -0.041 0.000 1.077 287 R CA -1.541 54.530 56.100 -0.048 0.000 1.034 287 R CB 0.291 30.555 30.300 -0.060 0.000 0.993 287 R HN -0.092 nan 8.270 nan 0.000 0.459 288 P HA -0.062 nan 4.420 nan 0.000 0.255 288 P C -2.362 174.931 177.300 -0.010 0.000 1.161 288 P CA -0.595 62.496 63.100 -0.014 0.000 0.768 288 P CB -0.205 31.493 31.700 -0.003 0.000 0.746 289 P HA 0.207 nan 4.420 nan 0.000 0.276 289 P C 0.389 177.695 177.300 0.010 0.000 1.230 289 P CA 0.218 63.310 63.100 -0.014 0.000 0.776 289 P CB 1.240 32.918 31.700 -0.037 0.000 0.888 290 G N 2.379 111.207 108.800 0.048 0.000 3.286 290 G HA2 0.325 4.298 3.960 0.022 0.000 0.166 290 G HA3 0.325 4.298 3.960 0.022 0.000 0.166 290 G C -0.505 174.409 174.900 0.023 0.000 1.155 290 G CA -0.844 44.276 45.100 0.033 0.000 0.871 290 G HN 0.544 nan 8.290 nan 0.000 0.637 291 R N 0.702 121.165 120.500 -0.061 0.000 2.523 291 R HA 0.031 4.384 4.340 0.022 0.000 0.281 291 R C 0.117 176.491 176.300 0.122 0.000 0.969 291 R CA 1.116 57.135 56.100 -0.135 0.000 1.093 291 R CB -0.287 29.632 30.300 -0.636 0.000 0.917 291 R HN 0.680 nan 8.270 nan 0.000 0.408 292 E N 2.581 122.854 120.200 0.121 0.000 2.660 292 E HA -0.346 4.017 4.350 0.022 0.000 0.260 292 E C 0.366 176.970 176.600 0.006 0.000 1.122 292 E CA 0.514 57.010 56.400 0.160 0.000 0.755 292 E CB -1.164 28.765 29.700 0.381 0.000 1.345 292 E HN 0.880 nan 8.360 nan 0.000 0.421 293 A N -2.362 120.453 122.820 -0.008 0.000 3.413 293 A HA -0.308 4.025 4.320 0.022 0.000 0.268 293 A C 0.056 177.574 177.584 -0.111 0.000 1.128 293 A CA 1.786 53.771 52.037 -0.087 0.000 1.062 293 A CB -1.964 16.948 19.000 -0.147 0.000 1.121 293 A HN 0.429 nan 8.150 nan 0.000 0.895 294 Y N 0.897 121.269 120.300 0.120 0.000 2.346 294 Y HA 0.432 4.994 4.550 0.021 0.000 0.330 294 Y C -1.360 174.608 175.900 0.113 0.000 1.178 294 Y CA -1.232 56.946 58.100 0.129 0.000 1.331 294 Y CB 0.372 38.963 38.460 0.219 0.000 1.253 294 Y HN 0.239 nan 8.280 nan 0.000 0.529 295 P HA -0.007 nan 4.420 nan 0.000 0.269 295 P C 0.668 178.089 177.300 0.201 0.000 1.215 295 P CA 0.178 63.343 63.100 0.108 0.000 0.780 295 P CB 0.903 32.580 31.700 -0.038 0.000 0.898 296 G N 2.136 111.032 108.800 0.161 0.000 2.485 296 G HA2 -0.238 3.735 3.960 0.022 0.000 0.221 296 G HA3 -0.238 3.735 3.960 0.022 0.000 0.221 296 G C 0.721 175.751 174.900 0.217 0.000 1.115 296 G CA 0.734 45.941 45.100 0.179 0.000 0.751 296 G HN 0.640 nan 8.290 nan 0.000 0.567 297 D N 0.733 121.275 120.400 0.237 0.000 2.368 297 D HA -0.003 4.650 4.640 0.022 0.000 0.218 297 D C 2.171 178.643 176.300 0.287 0.000 1.112 297 D CA 0.425 54.601 54.000 0.293 0.000 0.834 297 D CB -0.364 40.628 40.800 0.320 0.000 0.953 297 D HN 0.318 nan 8.370 nan 0.000 0.505 298 V N -1.939 118.111 119.914 0.226 0.000 2.867 298 V HA -0.132 4.001 4.120 0.022 0.000 0.260 298 V C 2.158 178.175 176.094 -0.128 0.000 1.099 298 V CA 0.934 63.249 62.300 0.026 0.000 1.122 298 V CB -1.527 30.218 31.823 -0.132 0.000 0.708 298 V HN 0.159 nan 8.190 nan 0.000 0.490 299 F N 0.877 120.773 119.950 -0.089 0.000 2.206 299 F HA -0.057 4.483 4.527 0.022 0.000 0.298 299 F C 2.227 178.043 175.800 0.027 0.000 1.090 299 F CA 1.505 59.460 58.000 -0.074 0.000 1.323 299 F CB -0.440 38.564 39.000 0.008 0.000 1.028 299 F HN 0.179 nan 8.300 nan 0.000 0.492 300 Y N 0.737 120.999 120.300 -0.063 0.000 2.314 300 Y HA -0.103 4.461 4.550 0.022 0.000 0.293 300 Y C 2.073 177.857 175.900 -0.193 0.000 1.129 300 Y CA 1.320 59.318 58.100 -0.171 0.000 1.201 300 Y CB -0.756 37.724 38.460 0.035 0.000 0.999 300 Y HN 0.219 nan 8.280 nan 0.000 0.541 301 L N -0.070 120.987 121.223 -0.277 0.000 2.089 301 L HA -0.291 4.062 4.340 0.022 0.000 0.213 301 L C 2.056 178.812 176.870 -0.189 0.000 1.079 301 L CA 2.381 57.018 54.840 -0.339 0.000 0.758 301 L CB -0.741 41.043 42.059 -0.458 0.000 0.891 301 L HN 0.405 nan 8.230 nan 0.000 0.433 302 H N -2.236 116.646 119.070 -0.313 0.000 2.418 302 H HA 0.016 4.585 4.556 0.021 0.000 0.300 302 H C 2.317 177.404 175.328 -0.401 0.000 1.041 302 H CA 0.706 56.540 56.048 -0.356 0.000 1.364 302 H CB 0.069 29.638 29.762 -0.323 0.000 1.439 302 H HN 0.472 nan 8.280 nan 0.000 0.540 303 S N 1.957 117.391 115.700 -0.442 0.000 2.368 303 S HA -0.245 4.238 4.470 0.022 0.000 0.225 303 S C 2.106 176.597 174.600 -0.183 0.000 1.030 303 S CA 1.254 59.222 58.200 -0.386 0.000 0.999 303 S CB -0.366 62.492 63.200 -0.569 0.000 0.844 303 S HN 0.504 nan 8.310 nan 0.000 0.459 304 R N 1.223 121.593 120.500 -0.217 0.000 2.080 304 R HA -0.060 4.293 4.340 0.022 0.000 0.236 304 R C 2.322 178.574 176.300 -0.079 0.000 1.137 304 R CA 1.478 57.478 56.100 -0.167 0.000 0.943 304 R CB -1.125 28.914 30.300 -0.435 0.000 0.846 304 R HN 0.400 nan 8.270 nan 0.000 0.431 305 L N 1.614 122.801 121.223 -0.060 0.000 1.956 305 L HA -0.133 4.221 4.340 0.022 0.000 0.216 305 L C 2.291 179.085 176.870 -0.127 0.000 1.073 305 L CA 1.766 56.552 54.840 -0.091 0.000 0.762 305 L CB -0.553 41.289 42.059 -0.362 0.000 0.889 305 L HN 0.273 nan 8.230 nan 0.000 0.433 306 L N -0.398 120.723 121.223 -0.172 0.000 2.549 306 L HA -0.088 4.265 4.340 0.022 0.000 0.229 306 L C 2.331 179.177 176.870 -0.039 0.000 1.158 306 L CA 0.405 55.184 54.840 -0.101 0.000 0.842 306 L CB -0.625 41.357 42.059 -0.129 0.000 0.952 306 L HN 0.376 nan 8.230 nan 0.000 0.452 307 E N 0.430 120.609 120.200 -0.035 0.000 2.285 307 E HA -0.107 4.256 4.350 0.022 0.000 0.194 307 E C 2.103 178.707 176.600 0.007 0.000 0.997 307 E CA 0.543 56.938 56.400 -0.007 0.000 0.845 307 E CB 0.140 29.841 29.700 0.002 0.000 0.782 307 E HN 0.514 nan 8.360 nan 0.000 0.491 308 R N 0.726 121.235 120.500 0.015 0.000 2.237 308 R HA 0.052 4.405 4.340 0.022 0.000 0.219 308 R C 1.059 177.385 176.300 0.044 0.000 1.080 308 R CA 0.434 56.553 56.100 0.032 0.000 0.995 308 R CB -0.063 30.267 30.300 0.050 0.000 0.875 308 R HN -0.066 nan 8.270 nan 0.000 0.462 309 A N 1.162 124.011 122.820 0.048 0.000 2.407 309 A HA 0.600 4.933 4.320 0.022 0.000 0.248 309 A C -0.057 177.546 177.584 0.032 0.000 1.082 309 A CA 0.245 52.313 52.037 0.052 0.000 0.785 309 A CB 0.452 19.485 19.000 0.054 0.000 1.020 309 A HN 0.320 nan 8.150 nan 0.000 0.489 310 A N 1.363 124.204 122.820 0.034 0.000 2.569 310 A HA 0.607 4.940 4.320 0.022 0.000 0.292 310 A C -1.046 176.558 177.584 0.034 0.000 1.032 310 A CA -0.636 51.414 52.037 0.021 0.000 0.669 310 A CB 0.795 19.798 19.000 0.005 0.000 1.290 310 A HN 1.113 nan 8.150 nan 0.000 0.422 311 K N 2.218 122.634 120.400 0.026 0.000 2.389 311 K HA 0.614 4.947 4.320 0.022 0.000 0.261 311 K C -0.340 176.279 176.600 0.033 0.000 1.014 311 K CA -0.430 55.884 56.287 0.046 0.000 0.920 311 K CB 0.281 32.804 32.500 0.038 0.000 1.149 311 K HN 0.641 nan 8.250 nan 0.000 0.444 312 M N 2.449 122.077 119.600 0.046 0.000 2.202 312 M HA 0.204 4.697 4.480 0.022 0.000 0.316 312 M C 0.459 176.810 176.300 0.084 0.000 1.138 312 M CA -0.431 54.893 55.300 0.041 0.000 1.151 312 M CB 0.084 32.725 32.600 0.068 0.000 1.422 312 M HN 0.717 nan 8.290 nan 0.000 0.471 313 N N 0.163 118.939 118.700 0.125 0.000 2.491 313 N HA 0.213 4.966 4.740 0.022 0.000 0.279 313 N C 0.033 175.637 175.510 0.156 0.000 1.236 313 N CA -0.527 52.604 53.050 0.135 0.000 0.982 313 N CB 0.368 38.940 38.487 0.141 0.000 1.194 313 N HN 0.374 nan 8.380 nan 0.000 0.582 314 D N -0.221 120.241 120.400 0.104 0.000 2.116 314 D HA -0.177 4.476 4.640 0.022 0.000 0.193 314 D C 1.676 177.998 176.300 0.037 0.000 0.998 314 D CA 2.175 56.212 54.000 0.063 0.000 0.836 314 D CB -0.847 39.976 40.800 0.038 0.000 0.951 314 D HN 0.719 nan 8.370 nan 0.000 0.449 315 A N -0.541 122.300 122.820 0.036 0.000 2.186 315 A HA -0.139 4.194 4.320 0.022 0.000 0.219 315 A C 1.199 178.553 177.584 -0.382 0.000 1.159 315 A CA 0.919 52.871 52.037 -0.142 0.000 0.680 315 A CB -0.592 18.326 19.000 -0.137 0.000 0.787 315 A HN 0.209 nan 8.150 nan 0.000 0.467 316 F N -2.184 117.758 119.950 -0.012 0.000 2.724 316 F HA 0.439 4.979 4.527 0.021 0.000 0.310 316 F C 1.590 177.370 175.800 -0.032 0.000 1.107 316 F CA 0.366 58.354 58.000 -0.020 0.000 1.218 316 F CB 0.776 39.768 39.000 -0.014 0.000 1.042 316 F HN 0.281 nan 8.300 nan 0.000 0.540 317 G N -0.482 108.359 108.800 0.068 0.000 2.278 317 G HA2 -0.049 3.924 3.960 0.022 0.000 0.210 317 G HA3 -0.049 3.924 3.960 0.022 0.000 0.210 317 G C 1.341 176.249 174.900 0.014 0.000 1.000 317 G CA -0.065 45.044 45.100 0.015 0.000 0.635 317 G HN 0.999 nan 8.290 nan 0.000 0.495 318 G N -0.191 108.646 108.800 0.061 0.000 2.189 318 G HA2 0.112 4.085 3.960 0.022 0.000 0.267 318 G HA3 0.112 4.085 3.960 0.022 0.000 0.267 318 G C 1.739 176.668 174.900 0.049 0.000 0.975 318 G CA 1.261 46.403 45.100 0.069 0.000 0.644 318 G HN 2.148 nan 8.290 nan 0.000 0.537 319 G N -0.389 108.383 108.800 -0.046 0.000 2.647 319 G HA2 0.618 4.591 3.960 0.022 0.000 0.271 319 G HA3 0.618 4.591 3.960 0.022 0.000 0.271 319 G C 0.389 175.314 174.900 0.042 0.000 1.300 319 G CA 1.323 46.316 45.100 -0.178 0.000 0.997 319 G HN 2.035 nan 8.290 nan 0.000 0.533 320 S N -2.129 113.644 115.700 0.122 0.000 2.595 320 S HA 0.515 4.998 4.470 0.022 0.000 0.270 320 S C -1.778 172.924 174.600 0.171 0.000 1.145 320 S CA -0.805 57.516 58.200 0.202 0.000 0.825 320 S CB 1.667 65.047 63.200 0.299 0.000 1.107 320 S HN 1.286 nan 8.310 nan 0.000 0.461 321 L N 1.566 122.856 121.223 0.112 0.000 2.409 321 L HA 0.790 5.143 4.340 0.022 0.000 0.272 321 L C -0.839 176.063 176.870 0.054 0.000 0.980 321 L CA 0.219 55.114 54.840 0.091 0.000 0.826 321 L CB 1.935 44.047 42.059 0.089 0.000 1.268 321 L HN 0.942 nan 8.230 nan 0.000 0.407 322 T N 4.508 119.079 114.554 0.028 0.000 2.770 322 T HA 0.824 5.187 4.350 0.022 0.000 0.283 322 T C -0.391 174.303 174.700 -0.010 0.000 0.988 322 T CA -0.292 61.809 62.100 0.002 0.000 0.957 322 T CB 1.305 70.159 68.868 -0.024 0.000 0.930 322 T HN 0.789 nan 8.240 nan 0.000 0.443 323 A N 3.770 126.595 122.820 0.009 0.000 2.318 323 A HA 0.753 5.086 4.320 0.022 0.000 0.324 323 A C -0.356 177.234 177.584 0.010 0.000 1.170 323 A CA -0.681 51.368 52.037 0.019 0.000 0.810 323 A CB 0.484 19.574 19.000 0.151 0.000 1.198 323 A HN 0.883 nan 8.150 nan 0.000 0.484 324 L N 4.970 126.181 121.223 -0.020 0.000 2.506 324 L HA 0.314 4.667 4.340 0.022 0.000 0.247 324 L C -2.264 174.611 176.870 0.007 0.000 1.141 324 L CA -1.738 53.094 54.840 -0.014 0.000 0.973 324 L CB 1.410 43.456 42.059 -0.021 0.000 1.319 324 L HN 0.508 nan 8.230 nan 0.000 0.455 325 P HA 0.175 nan 4.420 nan 0.000 0.278 325 P C -0.534 176.748 177.300 -0.030 0.000 1.238 325 P CA -0.169 62.967 63.100 0.061 0.000 0.794 325 P CB 2.050 33.730 31.700 -0.034 0.000 0.955 326 V N 4.001 123.889 119.914 -0.043 0.000 2.581 326 V HA 0.440 4.573 4.120 0.022 0.000 0.303 326 V C 0.312 176.364 176.094 -0.071 0.000 1.041 326 V CA -0.631 61.640 62.300 -0.049 0.000 0.907 326 V CB 1.782 33.591 31.823 -0.023 0.000 0.994 326 V HN 0.425 nan 8.190 nan 0.000 0.442 327 I N 3.050 123.584 120.570 -0.061 0.000 2.499 327 I HA 0.399 4.582 4.170 0.022 0.000 0.288 327 I C -0.136 175.970 176.117 -0.019 0.000 1.048 327 I CA -0.403 60.866 61.300 -0.052 0.000 1.062 327 I CB 2.027 39.988 38.000 -0.066 0.000 1.238 327 I HN 0.777 nan 8.210 nan 0.000 0.426 328 E N 5.606 125.807 120.200 0.001 0.000 2.081 328 E HA 0.331 4.694 4.350 0.022 0.000 0.276 328 E C -0.503 176.117 176.600 0.034 0.000 0.950 328 E CA -0.323 56.087 56.400 0.017 0.000 0.776 328 E CB 1.058 30.770 29.700 0.021 0.000 1.094 328 E HN 0.690 nan 8.360 nan 0.000 0.402 329 T N 1.925 116.504 114.554 0.041 0.000 2.882 329 T HA 0.268 4.631 4.350 0.022 0.000 0.287 329 T C 0.159 174.890 174.700 0.051 0.000 1.014 329 T CA -0.910 61.224 62.100 0.057 0.000 1.049 329 T CB 1.479 70.393 68.868 0.076 0.000 1.001 329 T HN 0.348 nan 8.240 nan 0.000 0.525 330 Q N 0.449 120.283 119.800 0.056 0.000 2.282 330 Q HA 0.528 4.881 4.340 0.022 0.000 0.260 330 Q C 0.581 176.605 176.000 0.040 0.000 0.964 330 Q CA -0.293 55.538 55.803 0.046 0.000 0.880 330 Q CB 1.537 30.305 28.738 0.050 0.000 1.286 330 Q HN 1.213 nan 8.270 nan 0.000 0.445 331 A N 2.020 124.856 122.820 0.028 0.000 2.665 331 A HA -0.200 4.134 4.320 0.022 0.000 0.301 331 A C 1.181 178.778 177.584 0.022 0.000 1.509 331 A CA 1.360 53.408 52.037 0.018 0.000 0.789 331 A CB -2.194 16.815 19.000 0.015 0.000 1.024 331 A HN 1.524 nan 8.150 nan 0.000 0.460 332 G N -1.016 107.804 108.800 0.032 0.000 2.212 332 G HA2 -0.280 3.693 3.960 0.022 0.000 0.267 332 G HA3 -0.280 3.693 3.960 0.022 0.000 0.267 332 G C 0.036 174.965 174.900 0.048 0.000 1.002 332 G CA 1.100 46.225 45.100 0.040 0.000 0.729 332 G HN 1.615 nan 8.290 nan 0.000 0.517 333 D N 0.376 120.808 120.400 0.053 0.000 2.416 333 D HA 0.316 4.969 4.640 0.022 0.000 0.240 333 D C 1.625 177.977 176.300 0.087 0.000 1.250 333 D CA 0.335 54.371 54.000 0.059 0.000 0.967 333 D CB 0.603 41.437 40.800 0.057 0.000 1.059 333 D HN 0.634 nan 8.370 nan 0.000 0.512 334 V N 1.553 121.530 119.914 0.106 0.000 3.563 334 V HA 0.154 4.287 4.120 0.022 0.000 0.299 334 V C 1.141 177.313 176.094 0.130 0.000 1.290 334 V CA 0.366 62.761 62.300 0.158 0.000 1.201 334 V CB 0.049 32.054 31.823 0.303 0.000 1.045 334 V HN 0.313 nan 8.190 nan 0.000 0.425 335 S N 0.504 116.263 115.700 0.099 0.000 2.524 335 S HA 0.566 5.049 4.470 0.022 0.000 0.215 335 S C 1.361 176.025 174.600 0.106 0.000 0.986 335 S CA 0.335 58.591 58.200 0.094 0.000 0.911 335 S CB 0.065 63.307 63.200 0.070 0.000 0.805 335 S HN 0.967 nan 8.310 nan 0.000 0.501 336 A N 0.740 123.627 122.820 0.111 0.000 2.521 336 A HA 0.132 4.465 4.320 0.022 0.000 0.237 336 A C 0.932 178.628 177.584 0.187 0.000 1.087 336 A CA 0.104 52.224 52.037 0.139 0.000 0.777 336 A CB -0.251 18.825 19.000 0.127 0.000 1.035 336 A HN 0.414 nan 8.150 nan 0.000 0.510 337 Y N 1.150 121.481 120.300 0.052 0.000 2.097 337 Y HA -0.209 4.354 4.550 0.022 0.000 0.282 337 Y C 1.829 177.729 175.900 -0.001 0.000 1.152 337 Y CA 2.333 60.453 58.100 0.033 0.000 1.136 337 Y CB -0.602 37.890 38.460 0.054 0.000 0.975 337 Y HN 0.519 nan 8.280 nan 0.000 0.498 338 I N 0.379 120.882 120.570 -0.110 0.000 2.163 338 I HA -0.189 3.994 4.170 0.022 0.000 0.240 338 I C -0.636 175.443 176.117 -0.065 0.000 1.081 338 I CA 1.500 62.661 61.300 -0.231 0.000 1.353 338 I CB -1.939 35.882 38.000 -0.298 0.000 1.054 338 I HN 0.130 nan 8.210 nan 0.000 0.407 339 P HA -0.195 nan 4.420 nan 0.000 0.215 339 P C 1.788 179.111 177.300 0.038 0.000 1.157 339 P CA 2.606 65.719 63.100 0.022 0.000 0.874 339 P CB -0.485 31.249 31.700 0.056 0.000 0.790 340 T N -3.254 111.343 114.554 0.072 0.000 2.684 340 T HA -0.202 4.161 4.350 0.022 0.000 0.267 340 T C 1.746 176.501 174.700 0.092 0.000 1.036 340 T CA 1.584 63.738 62.100 0.091 0.000 1.148 340 T CB -1.405 67.533 68.868 0.116 0.000 0.863 340 T HN -0.045 nan 8.240 nan 0.000 0.436 341 N N 1.624 120.374 118.700 0.083 0.000 2.027 341 N HA -0.115 4.638 4.740 0.022 0.000 0.200 341 N C 1.990 177.595 175.510 0.159 0.000 1.042 341 N CA 1.725 54.866 53.050 0.151 0.000 0.871 341 N CB -1.174 37.344 38.487 0.053 0.000 1.063 341 N HN 0.364 nan 8.380 nan 0.000 0.438 342 V N 1.230 121.187 119.914 0.072 0.000 2.469 342 V HA -0.172 3.961 4.120 0.022 0.000 0.251 342 V C 2.192 178.290 176.094 0.007 0.000 1.064 342 V CA 1.178 63.488 62.300 0.015 0.000 1.066 342 V CB -0.484 31.302 31.823 -0.061 0.000 0.667 342 V HN 0.292 nan 8.190 nan 0.000 0.461 343 I N 1.042 121.622 120.570 0.017 0.000 2.394 343 I HA -0.159 4.024 4.170 0.022 0.000 0.251 343 I C 2.311 178.454 176.117 0.042 0.000 1.136 343 I CA 1.637 62.938 61.300 0.003 0.000 1.425 343 I CB -0.237 37.769 38.000 0.010 0.000 1.079 343 I HN 0.470 nan 8.210 nan 0.000 0.425 344 S N -0.169 115.587 115.700 0.093 0.000 2.701 344 S HA 0.170 4.653 4.470 0.022 0.000 0.220 344 S C 1.312 176.013 174.600 0.170 0.000 0.954 344 S CA 0.149 58.426 58.200 0.127 0.000 0.936 344 S CB -0.310 62.977 63.200 0.144 0.000 0.777 344 S HN 0.436 nan 8.310 nan 0.000 0.518 345 I N 0.773 121.409 120.570 0.110 0.000 3.873 345 I HA 0.089 4.272 4.170 0.022 0.000 0.284 345 I C 1.488 177.617 176.117 0.020 0.000 1.186 345 I CA 0.444 61.785 61.300 0.070 0.000 1.362 345 I CB -0.336 37.661 38.000 -0.005 0.000 1.432 345 I HN 0.333 nan 8.210 nan 0.000 0.454 346 T N -1.342 113.208 114.554 -0.006 0.000 2.689 346 T HA 0.070 4.433 4.350 0.022 0.000 0.308 346 T C 0.311 175.007 174.700 -0.008 0.000 1.021 346 T CA -0.102 61.986 62.100 -0.020 0.000 0.973 346 T CB 0.561 69.402 68.868 -0.046 0.000 1.113 346 T HN 0.068 nan 8.240 nan 0.000 0.522 347 D N 0.217 120.609 120.400 -0.012 0.000 2.643 347 D HA 0.430 5.083 4.640 0.022 0.000 0.244 347 D C 0.708 177.001 176.300 -0.011 0.000 1.257 347 D CA 0.048 54.045 54.000 -0.005 0.000 0.831 347 D CB 0.151 40.950 40.800 -0.002 0.000 1.043 347 D HN 0.954 nan 8.370 nan 0.000 0.488 348 G N 0.727 109.511 108.800 -0.026 0.000 2.361 348 G HA2 0.248 4.221 3.960 0.022 0.000 0.305 348 G HA3 0.248 4.221 3.960 0.022 0.000 0.305 348 G C -1.888 172.955 174.900 -0.094 0.000 1.367 348 G CA -0.881 44.197 45.100 -0.037 0.000 0.951 348 G HN 0.019 nan 8.290 nan 0.000 0.615 349 Q N -1.312 118.402 119.800 -0.142 0.000 2.501 349 Q HA 0.810 5.163 4.340 0.022 0.000 0.288 349 Q C -0.833 175.035 176.000 -0.220 0.000 1.051 349 Q CA -0.685 54.948 55.803 -0.284 0.000 0.788 349 Q CB 2.291 30.649 28.738 -0.633 0.000 1.469 349 Q HN 0.682 nan 8.270 nan 0.000 0.416 350 I N 2.007 122.447 120.570 -0.218 0.000 2.466 350 I HA 0.390 4.573 4.170 0.022 0.000 0.279 350 I C -1.303 174.786 176.117 -0.046 0.000 1.033 350 I CA -0.462 60.802 61.300 -0.060 0.000 1.123 350 I CB 0.575 38.569 38.000 -0.010 0.000 1.237 350 I HN 0.427 nan 8.210 nan 0.000 0.460 351 F N 6.403 126.366 119.950 0.022 0.000 2.405 351 F HA 0.494 5.035 4.527 0.022 0.000 0.355 351 F C 0.062 175.880 175.800 0.030 0.000 1.121 351 F CA -0.894 57.119 58.000 0.022 0.000 1.112 351 F CB 0.489 39.502 39.000 0.022 0.000 1.126 351 F HN 0.103 nan 8.300 nan 0.000 0.481 352 L N 3.723 125.073 121.223 0.211 0.000 2.289 352 L HA 0.445 4.798 4.340 0.022 0.000 0.285 352 L C 0.021 176.967 176.870 0.128 0.000 1.049 352 L CA -0.592 54.334 54.840 0.143 0.000 0.804 352 L CB 1.077 43.184 42.059 0.080 0.000 1.195 352 L HN 0.583 nan 8.230 nan 0.000 0.428 353 E N 1.478 121.753 120.200 0.125 0.000 2.166 353 E HA 0.201 4.564 4.350 0.022 0.000 0.275 353 E C 0.261 176.941 176.600 0.133 0.000 0.941 353 E CA -0.416 56.045 56.400 0.101 0.000 0.784 353 E CB 2.105 31.855 29.700 0.085 0.000 1.115 353 E HN 0.574 nan 8.360 nan 0.000 0.399 354 T N 2.166 116.780 114.554 0.100 0.000 2.720 354 T HA -0.171 4.192 4.350 0.022 0.000 0.268 354 T C 1.404 176.243 174.700 0.232 0.000 1.037 354 T CA 1.049 63.245 62.100 0.159 0.000 1.144 354 T CB 0.060 68.951 68.868 0.039 0.000 0.864 354 T HN 0.394 nan 8.240 nan 0.000 0.444 355 E N 1.144 121.413 120.200 0.114 0.000 2.033 355 E HA -0.110 4.253 4.350 0.022 0.000 0.199 355 E C 2.370 179.086 176.600 0.194 0.000 1.011 355 E CA 1.040 57.501 56.400 0.103 0.000 0.815 355 E CB -0.558 29.174 29.700 0.054 0.000 0.755 355 E HN 0.461 nan 8.360 nan 0.000 0.451 356 L N -0.041 121.291 121.223 0.180 0.000 1.997 356 L HA -0.240 4.113 4.340 0.022 0.000 0.216 356 L C 2.578 179.588 176.870 0.233 0.000 1.074 356 L CA 1.439 56.386 54.840 0.179 0.000 0.763 356 L CB -0.619 41.536 42.059 0.160 0.000 0.890 356 L HN 0.074 nan 8.230 nan 0.000 0.434 357 F N -0.229 119.808 119.950 0.144 0.000 2.063 357 F HA -0.330 4.211 4.527 0.022 0.000 0.298 357 F C 2.456 178.317 175.800 0.102 0.000 1.109 357 F CA 1.816 59.892 58.000 0.127 0.000 1.212 357 F CB -0.485 38.616 39.000 0.168 0.000 0.973 357 F HN -0.067 nan 8.300 nan 0.000 0.480 358 Y N 0.062 120.458 120.300 0.160 0.000 2.163 358 Y HA -0.178 4.385 4.550 0.021 0.000 0.288 358 Y C 2.420 178.323 175.900 0.004 0.000 1.136 358 Y CA 1.773 59.909 58.100 0.061 0.000 1.147 358 Y CB -0.981 37.535 38.460 0.094 0.000 0.987 358 Y HN -0.025 nan 8.280 nan 0.000 0.509 359 K N -0.002 120.516 120.400 0.196 0.000 2.589 359 K HA -0.086 4.247 4.320 0.022 0.000 0.195 359 K C 1.122 177.743 176.600 0.035 0.000 1.040 359 K CA 0.862 57.211 56.287 0.102 0.000 0.950 359 K CB -0.551 32.011 32.500 0.103 0.000 0.781 359 K HN 0.544 nan 8.250 nan 0.000 0.486 360 G N 0.479 109.265 108.800 -0.023 0.000 2.141 360 G HA2 -0.196 3.777 3.960 0.022 0.000 0.242 360 G HA3 -0.196 3.777 3.960 0.022 0.000 0.242 360 G C -0.009 174.852 174.900 -0.066 0.000 0.982 360 G CA 0.077 45.126 45.100 -0.086 0.000 0.662 360 G HN 0.235 nan 8.290 nan 0.000 0.527 361 I N 1.323 121.883 120.570 -0.016 0.000 2.297 361 I HA 0.465 4.648 4.170 0.022 0.000 0.291 361 I C 0.533 176.655 176.117 0.009 0.000 1.033 361 I CA -0.061 61.244 61.300 0.009 0.000 1.253 361 I CB 0.697 38.729 38.000 0.054 0.000 1.396 361 I HN 0.117 nan 8.210 nan 0.000 0.476 362 R N 6.999 127.487 120.500 -0.021 0.000 2.564 362 R HA 0.419 4.772 4.340 0.022 0.000 0.284 362 R C -2.789 173.520 176.300 0.014 0.000 1.031 362 R CA -1.794 54.307 56.100 0.002 0.000 0.904 362 R CB 2.439 32.665 30.300 -0.124 0.000 1.199 362 R HN 0.285 nan 8.270 nan 0.000 0.443 363 P HA -0.018 nan 4.420 nan 0.000 0.264 363 P C 0.085 177.466 177.300 0.135 0.000 1.193 363 P CA 0.047 63.209 63.100 0.102 0.000 0.763 363 P CB 0.677 32.424 31.700 0.078 0.000 0.810 364 A N 4.868 127.826 122.820 0.229 0.000 2.253 364 A HA 0.020 4.353 4.320 0.022 0.000 0.225 364 A C 0.933 178.615 177.584 0.164 0.000 1.521 364 A CA -0.097 52.081 52.037 0.235 0.000 1.494 364 A CB -1.562 17.667 19.000 0.383 0.000 0.804 364 A HN 0.525 nan 8.150 nan 0.000 0.614 365 I N 0.746 121.394 120.570 0.130 0.000 2.692 365 I HA -0.035 4.148 4.170 0.022 0.000 0.284 365 I C 0.741 176.929 176.117 0.117 0.000 1.159 365 I CA -0.101 61.272 61.300 0.123 0.000 1.423 365 I CB 0.516 38.575 38.000 0.099 0.000 1.380 365 I HN 0.361 nan 8.210 nan 0.000 0.580 366 N N 6.184 124.964 118.700 0.133 0.000 2.678 366 N HA 0.103 4.856 4.740 0.022 0.000 0.231 366 N C 0.543 176.112 175.510 0.098 0.000 1.038 366 N CA -0.179 52.923 53.050 0.088 0.000 0.932 366 N CB 1.315 39.816 38.487 0.024 0.000 1.176 366 N HN 0.403 nan 8.380 nan 0.000 0.511 367 V N 2.887 122.850 119.914 0.082 0.000 2.688 367 V HA -0.128 4.005 4.120 0.022 0.000 0.256 367 V C 2.164 178.299 176.094 0.068 0.000 1.084 367 V CA 2.201 64.549 62.300 0.079 0.000 1.103 367 V CB -0.605 31.260 31.823 0.070 0.000 0.688 367 V HN 0.706 nan 8.190 nan 0.000 0.480 368 G N -0.617 108.208 108.800 0.042 0.000 2.408 368 G HA2 -0.061 3.912 3.960 0.022 0.000 0.213 368 G HA3 -0.061 3.912 3.960 0.022 0.000 0.213 368 G C 1.491 176.410 174.900 0.031 0.000 1.177 368 G CA 0.309 45.425 45.100 0.026 0.000 0.802 368 G HN 0.419 nan 8.290 nan 0.000 0.533 369 L N 1.086 122.298 121.223 -0.017 0.000 2.056 369 L HA 0.025 4.378 4.340 0.022 0.000 0.207 369 L C 1.513 178.611 176.870 0.380 0.000 1.078 369 L CA 0.320 55.127 54.840 -0.054 0.000 0.749 369 L CB -0.703 40.950 42.059 -0.676 0.000 0.901 369 L HN 0.083 nan 8.230 nan 0.000 0.433 370 S N -0.430 115.522 115.700 0.420 0.000 2.573 370 S HA 0.345 4.828 4.470 0.022 0.000 0.277 370 S C -0.094 174.622 174.600 0.194 0.000 1.346 370 S CA -0.440 57.985 58.200 0.375 0.000 1.034 370 S CB 1.425 64.776 63.200 0.252 0.000 0.879 370 S HN 0.089 nan 8.310 nan 0.000 0.528 371 V N 0.080 120.059 119.914 0.109 0.000 3.216 371 V HA 0.763 4.896 4.120 0.022 0.000 0.302 371 V C -0.561 175.549 176.094 0.027 0.000 1.286 371 V CA -0.964 61.377 62.300 0.068 0.000 1.048 371 V CB 1.993 33.857 31.823 0.068 0.000 1.081 371 V HN 0.734 nan 8.190 nan 0.000 0.442 372 S N 0.428 116.143 115.700 0.025 0.000 2.524 372 S HA 0.401 4.884 4.470 0.022 0.000 0.227 372 S C 0.785 175.393 174.600 0.013 0.000 1.304 372 S CA -0.690 57.517 58.200 0.011 0.000 1.185 372 S CB 0.744 63.949 63.200 0.009 0.000 1.104 372 S HN 0.739 nan 8.310 nan 0.000 0.475 373 R N 1.826 122.333 120.500 0.012 0.000 2.105 373 R HA -0.069 4.284 4.340 0.022 0.000 0.239 373 R C 1.640 177.946 176.300 0.011 0.000 1.135 373 R CA 1.955 58.064 56.100 0.014 0.000 0.967 373 R CB -0.411 29.898 30.300 0.015 0.000 0.861 373 R HN 0.627 nan 8.270 nan 0.000 0.442 374 V N -4.020 115.898 119.914 0.006 0.000 3.645 374 V HA 0.307 4.440 4.120 0.022 0.000 0.275 374 V C 1.866 177.960 176.094 0.001 0.000 1.356 374 V CA 0.754 63.057 62.300 0.004 0.000 1.051 374 V CB 0.320 32.144 31.823 0.002 0.000 0.828 374 V HN 0.233 nan 8.190 nan 0.000 0.441 375 G N 1.173 109.972 108.800 -0.001 0.000 2.598 375 G HA2 -0.116 3.857 3.960 0.022 0.000 0.215 375 G HA3 -0.116 3.857 3.960 0.022 0.000 0.215 375 G C 1.466 176.365 174.900 -0.000 0.000 1.131 375 G CA 1.066 46.164 45.100 -0.004 0.000 0.785 375 G HN 0.553 nan 8.290 nan 0.000 0.539 376 S N 1.522 117.225 115.700 0.005 0.000 2.370 376 S HA -0.105 4.378 4.470 0.022 0.000 0.226 376 S C 2.766 177.368 174.600 0.004 0.000 1.033 376 S CA 1.179 59.383 58.200 0.007 0.000 1.011 376 S CB -0.445 62.761 63.200 0.010 0.000 0.852 376 S HN 0.557 nan 8.310 nan 0.000 0.457 377 A N 1.890 124.712 122.820 0.003 0.000 1.908 377 A HA 0.112 4.445 4.320 0.022 0.000 0.218 377 A C 2.387 179.968 177.584 -0.004 0.000 1.181 377 A CA 1.705 53.742 52.037 0.001 0.000 0.627 377 A CB -1.179 17.823 19.000 0.002 0.000 0.818 377 A HN 0.582 nan 8.150 nan 0.000 0.445 378 A N -1.157 121.657 122.820 -0.010 0.000 2.125 378 A HA -0.047 4.286 4.320 0.022 0.000 0.219 378 A C 1.401 178.975 177.584 -0.016 0.000 1.156 378 A CA 0.831 52.856 52.037 -0.021 0.000 0.671 378 A CB -0.371 18.611 19.000 -0.030 0.000 0.794 378 A HN 0.664 nan 8.150 nan 0.000 0.459 379 Q N 0.960 120.757 119.800 -0.006 0.000 2.352 379 Q HA 0.230 4.583 4.340 0.022 0.000 0.260 379 Q C -0.399 175.604 176.000 0.005 0.000 0.976 379 Q CA -0.148 55.656 55.803 0.001 0.000 0.881 379 Q CB 0.563 29.305 28.738 0.007 0.000 1.235 379 Q HN 0.481 nan 8.270 nan 0.000 0.419 380 T N 2.469 117.028 114.554 0.009 0.000 2.926 380 T HA 0.015 4.378 4.350 0.022 0.000 0.307 380 T C 0.898 175.609 174.700 0.019 0.000 1.059 380 T CA -0.460 61.649 62.100 0.015 0.000 1.122 380 T CB 0.852 69.733 68.868 0.021 0.000 0.972 380 T HN 0.659 nan 8.240 nan 0.000 0.545 381 R N 1.955 122.467 120.500 0.020 0.000 2.092 381 R HA 0.006 4.360 4.340 0.022 0.000 0.231 381 R C 2.406 178.725 176.300 0.031 0.000 1.119 381 R CA 1.756 57.870 56.100 0.023 0.000 0.970 381 R CB -1.116 29.197 30.300 0.022 0.000 0.864 381 R HN 0.758 nan 8.270 nan 0.000 0.440 382 A N 0.791 123.631 122.820 0.033 0.000 1.903 382 A HA -0.225 4.108 4.320 0.022 0.000 0.219 382 A C 2.201 179.815 177.584 0.051 0.000 1.191 382 A CA 1.967 54.029 52.037 0.043 0.000 0.638 382 A CB -0.552 18.470 19.000 0.037 0.000 0.823 382 A HN 0.376 nan 8.150 nan 0.000 0.451 383 M N -1.491 118.134 119.600 0.041 0.000 2.156 383 M HA -0.081 4.412 4.480 0.022 0.000 0.264 383 M C 2.061 178.382 176.300 0.035 0.000 1.067 383 M CA 1.671 56.995 55.300 0.041 0.000 1.131 383 M CB -0.936 31.684 32.600 0.033 0.000 1.368 383 M HN 0.300 nan 8.290 nan 0.000 0.416 384 K N 0.532 120.950 120.400 0.030 0.000 2.059 384 K HA -0.207 4.126 4.320 0.022 0.000 0.212 384 K C 1.958 178.575 176.600 0.028 0.000 1.050 384 K CA 1.678 57.980 56.287 0.025 0.000 0.927 384 K CB -0.365 32.148 32.500 0.022 0.000 0.714 384 K HN 0.443 nan 8.250 nan 0.000 0.447 385 Q N -0.629 119.194 119.800 0.037 0.000 2.096 385 Q HA -0.150 4.203 4.340 0.022 0.000 0.204 385 Q C 2.044 178.070 176.000 0.043 0.000 0.982 385 Q CA 1.955 57.786 55.803 0.045 0.000 0.850 385 Q CB -0.040 28.738 28.738 0.065 0.000 0.901 385 Q HN 0.408 nan 8.270 nan 0.000 0.422 386 V N -4.145 115.800 119.914 0.052 0.000 2.788 386 V HA 0.269 4.402 4.120 0.022 0.000 0.241 386 V C 2.011 178.117 176.094 0.019 0.000 1.083 386 V CA 0.845 63.169 62.300 0.040 0.000 1.103 386 V CB -0.628 31.246 31.823 0.085 0.000 0.800 386 V HN 0.166 nan 8.190 nan 0.000 0.476 387 A N 1.487 124.322 122.820 0.026 0.000 2.015 387 A HA 0.122 4.455 4.320 0.022 0.000 0.219 387 A C 2.275 179.867 177.584 0.012 0.000 1.163 387 A CA 1.696 53.744 52.037 0.018 0.000 0.646 387 A CB -1.365 17.649 19.000 0.024 0.000 0.806 387 A HN 0.747 nan 8.150 nan 0.000 0.448 388 G N -0.112 108.696 108.800 0.012 0.000 2.440 388 G HA2 -0.210 3.763 3.960 0.022 0.000 0.218 388 G HA3 -0.210 3.763 3.960 0.022 0.000 0.218 388 G C 1.490 176.391 174.900 0.001 0.000 1.154 388 G CA 1.783 46.888 45.100 0.009 0.000 0.767 388 G HN 0.748 nan 8.290 nan 0.000 0.552 389 T N -2.479 112.070 114.554 -0.008 0.000 3.163 389 T HA 0.378 4.741 4.350 0.022 0.000 0.252 389 T C 1.844 176.531 174.700 -0.023 0.000 1.056 389 T CA 0.266 62.355 62.100 -0.018 0.000 0.947 389 T CB 0.369 69.218 68.868 -0.033 0.000 1.016 389 T HN 0.224 nan 8.240 nan 0.000 0.554 390 M N 0.384 119.975 119.600 -0.014 0.000 2.429 390 M HA 0.311 4.804 4.480 0.022 0.000 0.265 390 M C 2.258 178.557 176.300 -0.002 0.000 1.120 390 M CA 1.071 56.362 55.300 -0.016 0.000 1.173 390 M CB 0.081 32.675 32.600 -0.010 0.000 1.343 390 M HN 0.093 nan 8.290 nan 0.000 0.464 391 K N 0.442 120.847 120.400 0.009 0.000 2.155 391 K HA -0.045 4.288 4.320 0.022 0.000 0.203 391 K C 1.748 178.361 176.600 0.021 0.000 1.052 391 K CA 1.015 57.315 56.287 0.021 0.000 0.948 391 K CB -0.160 32.355 32.500 0.026 0.000 0.728 391 K HN 0.374 nan 8.250 nan 0.000 0.448 392 L N 0.343 121.573 121.223 0.011 0.000 2.013 392 L HA -0.232 4.121 4.340 0.022 0.000 0.212 392 L C 2.200 179.077 176.870 0.012 0.000 1.073 392 L CA 1.661 56.507 54.840 0.009 0.000 0.753 392 L CB -0.676 41.383 42.059 -0.000 0.000 0.890 392 L HN 0.224 nan 8.230 nan 0.000 0.432 393 E N 0.442 120.643 120.200 0.002 0.000 2.077 393 E HA -0.163 4.200 4.350 0.022 0.000 0.193 393 E C 2.352 178.977 176.600 0.042 0.000 0.989 393 E CA 0.963 57.364 56.400 0.002 0.000 0.800 393 E CB -0.122 29.559 29.700 -0.033 0.000 0.746 393 E HN 0.433 nan 8.360 nan 0.000 0.452 394 L N 0.259 121.507 121.223 0.042 0.000 2.465 394 L HA -0.081 4.272 4.340 0.022 0.000 0.224 394 L C 2.248 179.189 176.870 0.119 0.000 1.145 394 L CA 0.277 55.176 54.840 0.099 0.000 0.834 394 L CB -0.227 41.871 42.059 0.064 0.000 0.944 394 L HN 0.167 nan 8.230 nan 0.000 0.451 395 A N -0.336 122.526 122.820 0.070 0.000 1.874 395 A HA -0.162 4.171 4.320 0.022 0.000 0.214 395 A C 2.084 179.696 177.584 0.046 0.000 1.189 395 A CA 0.777 52.843 52.037 0.048 0.000 0.615 395 A CB -0.238 18.779 19.000 0.029 0.000 0.830 395 A HN 0.420 nan 8.150 nan 0.000 0.443 396 Q N -2.215 117.618 119.800 0.055 0.000 2.488 396 Q HA -0.102 4.252 4.340 0.022 0.000 0.211 396 Q C 1.442 177.493 176.000 0.084 0.000 0.967 396 Q CA 1.253 57.086 55.803 0.049 0.000 0.926 396 Q CB -0.151 28.611 28.738 0.040 0.000 0.992 396 Q HN 0.883 nan 8.270 nan 0.000 0.506 397 Y N -0.206 120.084 120.300 -0.017 0.000 2.558 397 Y HA 0.175 4.738 4.550 0.022 0.000 0.273 397 Y C 1.985 177.877 175.900 -0.013 0.000 1.100 397 Y CA 0.063 58.153 58.100 -0.017 0.000 1.276 397 Y CB 0.284 38.733 38.460 -0.019 0.000 1.196 397 Y HN -0.207 nan 8.280 nan 0.000 0.527 398 R N 0.758 121.228 120.500 -0.050 0.000 2.103 398 R HA -0.226 4.127 4.340 0.022 0.000 0.242 398 R C 1.987 178.167 176.300 -0.201 0.000 1.142 398 R CA 2.188 58.207 56.100 -0.135 0.000 0.960 398 R CB -0.143 30.144 30.300 -0.022 0.000 0.858 398 R HN 0.475 nan 8.270 nan 0.000 0.439 399 E N -0.517 119.601 120.200 -0.136 0.000 2.000 399 E HA -0.174 4.189 4.350 0.022 0.000 0.199 399 E C 1.659 178.171 176.600 -0.148 0.000 1.011 399 E CA 1.790 58.121 56.400 -0.114 0.000 0.836 399 E CB 0.064 29.725 29.700 -0.065 0.000 0.778 399 E HN 0.085 nan 8.360 nan 0.000 0.462 400 V N 0.911 120.733 119.914 -0.153 0.000 3.330 400 V HA -0.077 4.056 4.120 0.022 0.000 0.273 400 V C 0.886 176.854 176.094 -0.209 0.000 1.179 400 V CA 0.789 63.006 62.300 -0.139 0.000 1.174 400 V CB -1.371 30.402 31.823 -0.083 0.000 0.794 400 V HN 0.269 nan 8.190 nan 0.000 0.527 411 D N 0.304 120.701 120.400 -0.005 0.000 7.547 411 D HA -0.092 4.561 4.640 0.022 0.000 0.255 411 D C 0.523 176.820 176.300 -0.005 0.000 2.090 411 D CA 0.914 54.911 54.000 -0.005 0.000 1.914 411 D CB 0.290 41.087 40.800 -0.006 0.000 0.809 411 D HN 0.844 nan 8.370 nan 0.000 0.513 412 A N 3.967 126.783 122.820 -0.006 0.000 1.883 412 A HA 0.163 4.496 4.320 0.022 0.000 0.217 412 A C 2.381 179.960 177.584 -0.008 0.000 1.186 412 A CA 3.160 55.192 52.037 -0.008 0.000 0.624 412 A CB -0.842 18.152 19.000 -0.010 0.000 0.822 412 A HN 1.159 nan 8.150 nan 0.000 0.444 413 A N -0.063 122.752 122.820 -0.008 0.000 1.829 413 A HA -0.167 4.166 4.320 0.022 0.000 0.216 413 A C 2.465 180.048 177.584 -0.002 0.000 1.207 413 A CA 3.257 55.290 52.037 -0.008 0.000 0.622 413 A CB -1.800 17.195 19.000 -0.008 0.000 0.846 413 A HN 0.868 nan 8.150 nan 0.000 0.447 414 T N -1.694 112.860 114.554 -0.000 0.000 2.714 414 T HA -0.324 4.039 4.350 0.022 0.000 0.268 414 T C 1.876 176.585 174.700 0.014 0.000 1.036 414 T CA 1.960 64.064 62.100 0.006 0.000 1.148 414 T CB -0.553 68.315 68.868 -0.001 0.000 0.856 414 T HN 0.588 nan 8.240 nan 0.000 0.462 415 Q N 0.600 120.404 119.800 0.008 0.000 2.020 415 Q HA -0.189 4.164 4.340 0.022 0.000 0.202 415 Q C 2.732 178.740 176.000 0.014 0.000 0.982 415 Q CA 1.795 57.605 55.803 0.011 0.000 0.838 415 Q CB -0.255 28.484 28.738 0.002 0.000 0.899 415 Q HN 0.732 nan 8.270 nan 0.000 0.423 416 Q N 0.763 120.564 119.800 0.001 0.000 2.061 416 Q HA -0.222 4.131 4.340 0.022 0.000 0.204 416 Q C 2.059 178.060 176.000 0.002 0.000 0.984 416 Q CA 1.472 57.269 55.803 -0.010 0.000 0.846 416 Q CB -0.294 28.431 28.738 -0.021 0.000 0.902 416 Q HN 0.446 nan 8.270 nan 0.000 0.421 417 L N 0.503 121.738 121.223 0.020 0.000 2.013 417 L HA -0.232 4.121 4.340 0.022 0.000 0.212 417 L C 2.723 179.667 176.870 0.123 0.000 1.073 417 L CA 1.129 55.999 54.840 0.051 0.000 0.753 417 L CB -0.632 41.460 42.059 0.055 0.000 0.890 417 L HN 0.265 nan 8.230 nan 0.000 0.432 418 L N -0.729 120.578 121.223 0.140 0.000 2.191 418 L HA -0.170 4.183 4.340 0.022 0.000 0.212 418 L C 2.615 179.570 176.870 0.142 0.000 1.103 418 L CA 0.852 55.844 54.840 0.254 0.000 0.769 418 L CB -0.299 41.846 42.059 0.145 0.000 0.908 418 L HN 0.241 nan 8.230 nan 0.000 0.438 419 S N -1.028 114.693 115.700 0.034 0.000 2.395 419 S HA -0.033 4.451 4.470 0.022 0.000 0.225 419 S C 2.015 176.551 174.600 -0.106 0.000 1.027 419 S CA 0.466 58.646 58.200 -0.033 0.000 0.965 419 S CB -0.041 63.138 63.200 -0.035 0.000 0.812 419 S HN 0.325 nan 8.310 nan 0.000 0.482 420 R N 1.227 121.659 120.500 -0.113 0.000 2.061 420 R HA -0.018 4.335 4.340 0.022 0.000 0.230 420 R C 2.694 178.813 176.300 -0.301 0.000 1.140 420 R CA 1.403 57.403 56.100 -0.167 0.000 0.940 420 R CB -1.478 28.744 30.300 -0.130 0.000 0.839 420 R HN 0.484 nan 8.270 nan 0.000 0.429 421 G N 1.414 109.939 108.800 -0.459 0.000 2.728 421 G HA2 -0.339 3.634 3.960 0.022 0.000 0.224 421 G HA3 -0.339 3.634 3.960 0.022 0.000 0.224 421 G C 1.499 175.738 174.900 -1.102 0.000 1.139 421 G CA 2.219 46.596 45.100 -1.206 0.000 0.761 421 G HN 0.372 nan 8.290 nan 0.000 0.621 422 V N -1.717 117.784 119.914 -0.687 0.000 2.667 422 V HA 0.032 4.165 4.120 0.022 0.000 0.252 422 V C 2.676 178.637 176.094 -0.222 0.000 1.065 422 V CA 1.831 63.935 62.300 -0.327 0.000 1.083 422 V CB -0.414 31.337 31.823 -0.120 0.000 0.692 422 V HN 0.239 nan 8.190 nan 0.000 0.468 423 R N 0.741 121.105 120.500 -0.226 0.000 2.052 423 R HA 0.207 4.560 4.340 0.022 0.000 0.226 423 R C 2.445 178.643 176.300 -0.171 0.000 1.145 423 R CA 1.487 57.481 56.100 -0.177 0.000 0.952 423 R CB -1.196 28.995 30.300 -0.182 0.000 0.847 423 R HN 0.470 nan 8.270 nan 0.000 0.431 424 L N 1.002 122.105 121.223 -0.199 0.000 2.051 424 L HA -0.228 4.126 4.340 0.022 0.000 0.214 424 L C 2.300 179.096 176.870 -0.124 0.000 1.076 424 L CA 1.933 56.680 54.840 -0.155 0.000 0.758 424 L CB -1.017 40.944 42.059 -0.163 0.000 0.890 424 L HN 0.249 nan 8.230 nan 0.000 0.433 425 T N -1.258 113.200 114.554 -0.159 0.000 2.881 425 T HA -0.125 4.238 4.350 0.022 0.000 0.270 425 T C 1.712 176.379 174.700 -0.055 0.000 1.068 425 T CA 0.946 62.992 62.100 -0.089 0.000 1.131 425 T CB -0.100 68.716 68.868 -0.086 0.000 0.871 425 T HN 0.330 nan 8.240 nan 0.000 0.479 426 E N 1.150 121.308 120.200 -0.071 0.000 2.158 426 E HA 0.094 4.457 4.350 0.022 0.000 0.191 426 E C 2.225 178.808 176.600 -0.028 0.000 0.982 426 E CA 0.432 56.807 56.400 -0.042 0.000 0.823 426 E CB -0.277 29.394 29.700 -0.048 0.000 0.766 426 E HN 0.480 nan 8.360 nan 0.000 0.468 427 L N 0.419 121.617 121.223 -0.042 0.000 2.275 427 L HA -0.088 4.265 4.340 0.022 0.000 0.215 427 L C 2.173 179.041 176.870 -0.003 0.000 1.119 427 L CA 0.683 55.510 54.840 -0.022 0.000 0.790 427 L CB -0.285 41.752 42.059 -0.037 0.000 0.919 427 L HN 0.090 nan 8.230 nan 0.000 0.443 428 L N -0.889 120.329 121.223 -0.007 0.000 2.567 428 L HA 0.055 4.408 4.340 0.022 0.000 0.225 428 L C 0.770 177.646 176.870 0.011 0.000 1.119 428 L CA 0.039 54.883 54.840 0.007 0.000 0.871 428 L CB -0.230 41.835 42.059 0.010 0.000 1.036 428 L HN 0.123 nan 8.230 nan 0.000 0.459 429 K N 1.884 122.286 120.400 0.004 0.000 2.326 429 K HA 0.273 4.606 4.320 0.022 0.000 0.275 429 K C -0.266 176.336 176.600 0.003 0.000 1.018 429 K CA 0.161 56.449 56.287 0.001 0.000 0.962 429 K CB 0.935 33.431 32.500 -0.007 0.000 0.953 429 K HN 0.091 nan 8.250 nan 0.000 0.475 430 Q N 0.349 120.147 119.800 -0.003 0.000 2.353 430 Q HA 0.283 4.636 4.340 0.022 0.000 0.275 430 Q C -0.571 175.416 176.000 -0.022 0.000 1.029 430 Q CA -0.565 55.235 55.803 -0.004 0.000 0.848 430 Q CB 2.439 31.177 28.738 0.001 0.000 1.390 430 Q HN 0.867 nan 8.270 nan 0.000 0.401 431 G N 1.016 109.804 108.800 -0.020 0.000 2.543 431 G HA2 0.340 4.313 3.960 0.022 0.000 0.290 431 G HA3 0.340 4.313 3.960 0.022 0.000 0.290 431 G C -0.495 174.357 174.900 -0.079 0.000 1.310 431 G CA -0.218 44.859 45.100 -0.038 0.000 1.025 431 G HN 0.474 nan 8.290 nan 0.000 0.502 432 Q N -1.407 118.302 119.800 -0.151 0.000 2.221 432 Q HA 0.349 4.702 4.340 0.022 0.000 0.242 432 Q C -0.826 175.007 176.000 -0.278 0.000 0.940 432 Q CA -0.552 55.005 55.803 -0.408 0.000 0.896 432 Q CB 1.093 29.319 28.738 -0.853 0.000 1.226 432 Q HN 0.532 nan 8.270 nan 0.000 0.463 433 Y N -1.276 119.031 120.300 0.010 0.000 4.409 433 Y HA -0.243 4.320 4.550 0.021 0.000 0.228 433 Y C 0.002 175.906 175.900 0.006 0.000 1.108 433 Y CA 0.591 58.694 58.100 0.005 0.000 1.955 433 Y CB -2.241 36.218 38.460 -0.002 0.000 1.615 433 Y HN 0.409 nan 8.280 nan 0.000 0.665 434 S N -0.049 115.700 115.700 0.082 0.000 2.399 434 S HA 0.342 4.825 4.470 0.022 0.000 0.198 434 S C -2.393 172.228 174.600 0.036 0.000 1.294 434 S CA -0.926 57.312 58.200 0.062 0.000 1.237 434 S CB 0.835 64.066 63.200 0.052 0.000 1.286 434 S HN -0.001 nan 8.310 nan 0.000 0.404 435 P HA 0.152 nan 4.420 nan 0.000 0.265 435 P C -0.329 176.983 177.300 0.021 0.000 1.193 435 P CA 0.209 63.329 63.100 0.032 0.000 0.765 435 P CB 0.370 32.099 31.700 0.048 0.000 0.823 436 M N 1.591 121.202 119.600 0.018 0.000 2.528 436 M HA 0.528 5.021 4.480 0.022 0.000 0.318 436 M C 0.400 176.700 176.300 -0.000 0.000 1.195 436 M CA -0.956 54.348 55.300 0.006 0.000 1.000 436 M CB 1.596 34.204 32.600 0.013 0.000 1.615 436 M HN 0.271 nan 8.290 nan 0.000 0.469 437 A N 1.555 124.360 122.820 -0.024 0.000 2.409 437 A HA 0.232 4.565 4.320 0.022 0.000 0.267 437 A C 0.967 178.546 177.584 -0.008 0.000 1.127 437 A CA -0.456 51.557 52.037 -0.041 0.000 0.795 437 A CB -0.045 18.910 19.000 -0.074 0.000 1.061 437 A HN 0.912 nan 8.150 nan 0.000 0.502 438 I N 1.789 122.369 120.570 0.017 0.000 2.182 438 I HA -0.321 3.862 4.170 0.022 0.000 0.248 438 I C 2.588 178.716 176.117 0.018 0.000 1.073 438 I CA 2.572 63.891 61.300 0.031 0.000 1.335 438 I CB -0.162 37.869 38.000 0.050 0.000 1.031 438 I HN 0.870 nan 8.210 nan 0.000 0.420 439 E N 0.235 120.434 120.200 -0.001 0.000 2.204 439 E HA -0.243 4.120 4.350 0.022 0.000 0.194 439 E C 1.800 178.391 176.600 -0.014 0.000 0.989 439 E CA 1.506 57.900 56.400 -0.010 0.000 0.824 439 E CB -0.659 29.025 29.700 -0.026 0.000 0.756 439 E HN 0.665 nan 8.360 nan 0.000 0.477 440 E N 0.906 121.096 120.200 -0.018 0.000 2.072 440 E HA -0.141 4.222 4.350 0.022 0.000 0.190 440 E C 2.331 178.945 176.600 0.022 0.000 0.982 440 E CA 1.170 57.560 56.400 -0.017 0.000 0.803 440 E CB -0.056 29.628 29.700 -0.026 0.000 0.755 440 E HN 0.398 nan 8.360 nan 0.000 0.453 441 Q N 0.396 120.215 119.800 0.031 0.000 2.050 441 Q HA -0.150 4.203 4.340 0.022 0.000 0.202 441 Q C 2.525 178.566 176.000 0.069 0.000 0.980 441 Q CA 1.939 57.771 55.803 0.049 0.000 0.840 441 Q CB -0.240 28.523 28.738 0.041 0.000 0.898 441 Q HN 0.270 nan 8.270 nan 0.000 0.424 442 V N -0.135 119.817 119.914 0.063 0.000 2.490 442 V HA -0.232 3.901 4.120 0.022 0.000 0.250 442 V C 2.271 178.444 176.094 0.132 0.000 1.061 442 V CA 1.512 63.866 62.300 0.090 0.000 1.064 442 V CB -1.526 30.342 31.823 0.074 0.000 0.670 442 V HN 0.311 nan 8.190 nan 0.000 0.461 443 A N 1.809 124.686 122.820 0.095 0.000 1.834 443 A HA -0.170 4.163 4.320 0.022 0.000 0.216 443 A C 2.528 180.277 177.584 0.274 0.000 1.203 443 A CA 3.147 55.258 52.037 0.124 0.000 0.621 443 A CB -1.195 17.826 19.000 0.035 0.000 0.841 443 A HN 0.994 nan 8.150 nan 0.000 0.446 444 V N -0.685 119.389 119.914 0.267 0.000 2.287 444 V HA -0.233 3.900 4.120 0.022 0.000 0.248 444 V C 2.160 178.343 176.094 0.148 0.000 1.053 444 V CA 2.204 64.658 62.300 0.257 0.000 1.027 444 V CB -0.927 31.019 31.823 0.204 0.000 0.646 444 V HN 0.467 nan 8.190 nan 0.000 0.447 445 I N -0.257 120.387 120.570 0.124 0.000 2.264 445 I HA -0.228 3.955 4.170 0.022 0.000 0.248 445 I C 2.563 178.743 176.117 0.104 0.000 1.111 445 I CA 2.510 63.858 61.300 0.080 0.000 1.382 445 I CB -1.598 36.441 38.000 0.066 0.000 1.060 445 I HN 0.553 nan 8.210 nan 0.000 0.418 446 Y N 2.276 122.602 120.300 0.043 0.000 2.114 446 Y HA -0.301 4.262 4.550 0.022 0.000 0.282 446 Y C 2.675 178.622 175.900 0.078 0.000 1.165 446 Y CA 2.039 60.175 58.100 0.061 0.000 1.148 446 Y CB -0.419 38.083 38.460 0.070 0.000 0.972 446 Y HN 0.134 nan 8.280 nan 0.000 0.504 447 A N 0.041 123.021 122.820 0.266 0.000 1.892 447 A HA -0.213 4.120 4.320 0.022 0.000 0.218 447 A C 2.478 180.053 177.584 -0.016 0.000 1.188 447 A CA 2.226 54.319 52.037 0.095 0.000 0.631 447 A CB -1.727 17.147 19.000 -0.210 0.000 0.822 447 A HN 0.627 nan 8.150 nan 0.000 0.447 448 G N -1.213 107.533 108.800 -0.089 0.000 2.396 448 G HA2 0.038 4.011 3.960 0.022 0.000 0.214 448 G HA3 0.038 4.011 3.960 0.022 0.000 0.214 448 G C 1.397 176.214 174.900 -0.138 0.000 1.166 448 G CA 1.009 46.023 45.100 -0.142 0.000 0.793 448 G HN 0.356 nan 8.290 nan 0.000 0.533 449 V N 0.811 120.654 119.914 -0.119 0.000 2.759 449 V HA -0.002 4.131 4.120 0.022 0.000 0.256 449 V C 2.637 178.611 176.094 -0.199 0.000 1.080 449 V CA 1.079 63.297 62.300 -0.138 0.000 1.101 449 V CB -0.357 31.403 31.823 -0.105 0.000 0.698 449 V HN 0.146 nan 8.190 nan 0.000 0.477 450 R N -0.154 120.195 120.500 -0.251 0.000 2.280 450 R HA 0.259 4.612 4.340 0.022 0.000 0.195 450 R C 1.790 177.798 176.300 -0.487 0.000 0.935 450 R CA 0.763 56.650 56.100 -0.355 0.000 1.033 450 R CB 0.164 30.234 30.300 -0.383 0.000 0.964 450 R HN 0.559 nan 8.270 nan 0.000 0.489 451 G N -0.165 108.404 108.800 -0.385 0.000 2.218 451 G HA2 -0.288 3.685 3.960 0.022 0.000 0.216 451 G HA3 -0.288 3.685 3.960 0.022 0.000 0.216 451 G C 0.441 175.107 174.900 -0.391 0.000 0.994 451 G CA -0.045 44.821 45.100 -0.389 0.000 0.637 451 G HN 0.316 nan 8.290 nan 0.000 0.505 452 Y N 0.832 121.032 120.300 -0.165 0.000 2.797 452 Y HA 0.277 4.840 4.550 0.022 0.000 0.307 452 Y C 2.260 177.988 175.900 -0.287 0.000 1.168 452 Y CA 1.310 59.309 58.100 -0.169 0.000 1.388 452 Y CB -0.147 38.242 38.460 -0.119 0.000 0.985 452 Y HN 0.394 nan 8.280 nan 0.000 0.545 453 L N -2.000 119.089 121.223 -0.223 0.000 3.086 453 L HA 0.195 4.548 4.340 0.022 0.000 0.274 453 L C 0.828 177.573 176.870 -0.208 0.000 1.184 453 L CA -0.060 54.592 54.840 -0.313 0.000 1.002 453 L CB 0.283 42.078 42.059 -0.440 0.000 1.383 453 L HN -0.071 nan 8.230 nan 0.000 0.582 454 D N 1.412 121.707 120.400 -0.174 0.000 2.104 454 D HA -0.189 4.464 4.640 0.022 0.000 0.194 454 D C 1.889 178.130 176.300 -0.098 0.000 0.994 454 D CA 1.369 55.288 54.000 -0.136 0.000 0.830 454 D CB 0.155 40.873 40.800 -0.137 0.000 0.959 454 D HN 0.059 nan 8.370 nan 0.000 0.452 455 K N -0.645 119.703 120.400 -0.086 0.000 2.555 455 K HA 0.032 4.365 4.320 0.022 0.000 0.193 455 K C -0.161 176.419 176.600 -0.033 0.000 1.032 455 K CA -0.118 56.140 56.287 -0.047 0.000 1.004 455 K CB 0.145 32.629 32.500 -0.027 0.000 0.804 455 K HN 0.015 nan 8.250 nan 0.000 0.496 456 L N 0.359 121.546 121.223 -0.061 0.000 2.313 456 L HA 0.319 4.672 4.340 0.022 0.000 0.268 456 L C -0.920 175.927 176.870 -0.039 0.000 1.010 456 L CA -0.532 54.283 54.840 -0.041 0.000 0.814 456 L CB 1.852 43.859 42.059 -0.088 0.000 1.304 456 L HN -0.094 nan 8.230 nan 0.000 0.441 457 E N 3.616 123.814 120.200 -0.004 0.000 2.167 457 E HA 0.207 4.570 4.350 0.022 0.000 0.284 457 E C -1.752 174.846 176.600 -0.004 0.000 1.016 457 E CA -1.572 54.828 56.400 0.000 0.000 0.817 457 E CB 1.208 30.923 29.700 0.024 0.000 1.080 457 E HN 0.453 nan 8.360 nan 0.000 0.397 458 P HA -0.287 nan 4.420 nan 0.000 0.221 458 P C 1.293 178.592 177.300 -0.001 0.000 1.153 458 P CA 1.332 64.417 63.100 -0.026 0.000 0.858 458 P CB 0.224 31.910 31.700 -0.024 0.000 0.783 459 S N -1.949 113.762 115.700 0.019 0.000 2.481 459 S HA -0.058 4.425 4.470 0.022 0.000 0.231 459 S C 1.563 176.202 174.600 0.065 0.000 0.996 459 S CA 0.877 59.098 58.200 0.036 0.000 0.942 459 S CB -0.494 62.728 63.200 0.036 0.000 0.768 459 S HN -0.004 nan 8.310 nan 0.000 0.520 460 K N 1.250 121.699 120.400 0.081 0.000 2.379 460 K HA 0.226 4.559 4.320 0.022 0.000 0.194 460 K C 1.730 178.411 176.600 0.134 0.000 1.031 460 K CA 0.046 56.427 56.287 0.156 0.000 1.037 460 K CB -0.314 32.326 32.500 0.233 0.000 0.824 460 K HN 0.388 nan 8.250 nan 0.000 0.516 461 I N 1.362 121.955 120.570 0.039 0.000 2.151 461 I HA -0.294 3.889 4.170 0.022 0.000 0.243 461 I C 1.858 178.018 176.117 0.071 0.000 1.080 461 I CA 1.583 62.879 61.300 -0.006 0.000 1.339 461 I CB -1.761 36.200 38.000 -0.065 0.000 1.039 461 I HN 0.105 nan 8.210 nan 0.000 0.409 462 T N 1.039 115.636 114.554 0.071 0.000 2.607 462 T HA -0.268 4.095 4.350 0.022 0.000 0.267 462 T C 1.986 176.763 174.700 0.128 0.000 1.049 462 T CA 1.960 64.109 62.100 0.082 0.000 1.162 462 T CB -0.324 68.582 68.868 0.063 0.000 0.863 462 T HN 0.321 nan 8.240 nan 0.000 0.424 463 K N -0.068 120.433 120.400 0.169 0.000 2.152 463 K HA -0.122 4.211 4.320 0.022 0.000 0.206 463 K C 2.121 178.896 176.600 0.291 0.000 1.048 463 K CA 1.196 57.628 56.287 0.242 0.000 0.933 463 K CB -0.298 32.382 32.500 0.300 0.000 0.721 463 K HN 0.358 nan 8.250 nan 0.000 0.447 464 F N 2.021 121.973 119.950 0.003 0.000 2.146 464 F HA -0.133 4.407 4.527 0.022 0.000 0.298 464 F C 2.214 177.936 175.800 -0.129 0.000 1.096 464 F CA 1.692 59.502 58.000 -0.317 0.000 1.275 464 F CB -0.266 38.450 39.000 -0.473 0.000 1.008 464 F HN 0.128 nan 8.300 nan 0.000 0.480 465 E N 0.377 120.719 120.200 0.238 0.000 2.033 465 E HA -0.310 4.053 4.350 0.022 0.000 0.199 465 E C 1.827 178.471 176.600 0.073 0.000 1.011 465 E CA 2.121 58.630 56.400 0.181 0.000 0.815 465 E CB -0.324 29.464 29.700 0.148 0.000 0.755 465 E HN 0.615 nan 8.360 nan 0.000 0.451 466 N N 0.478 119.222 118.700 0.072 0.000 2.084 466 N HA -0.176 4.577 4.740 0.022 0.000 0.190 466 N C 1.843 177.370 175.510 0.029 0.000 1.030 466 N CA 1.487 54.568 53.050 0.051 0.000 0.849 466 N CB -0.323 38.208 38.487 0.073 0.000 1.012 466 N HN 0.205 nan 8.380 nan 0.000 0.423 467 A N 0.611 123.476 122.820 0.075 0.000 1.902 467 A HA -0.143 4.190 4.320 0.022 0.000 0.217 467 A C 2.010 179.550 177.584 -0.073 0.000 1.181 467 A CA 1.223 53.357 52.037 0.161 0.000 0.623 467 A CB -0.939 18.336 19.000 0.458 0.000 0.818 467 A HN 0.458 nan 8.150 nan 0.000 0.443 468 F N -0.600 118.870 119.950 -0.800 0.000 2.367 468 F HA 0.056 4.596 4.527 0.022 0.000 0.298 468 F C 1.614 177.022 175.800 -0.655 0.000 1.094 468 F CA 0.983 58.034 58.000 -1.581 0.000 1.409 468 F CB -0.019 37.748 39.000 -2.054 0.000 1.064 468 F HN 0.166 nan 8.300 nan 0.000 0.528 469 L N 0.513 121.504 121.223 -0.386 0.000 2.068 469 L HA -0.054 4.299 4.340 0.022 0.000 0.204 469 L C 2.854 179.585 176.870 -0.230 0.000 1.076 469 L CA 2.106 56.763 54.840 -0.305 0.000 0.753 469 L CB -1.290 40.713 42.059 -0.093 0.000 0.910 469 L HN 0.346 nan 8.230 nan 0.000 0.439 470 S N -1.568 114.062 115.700 -0.116 0.000 2.383 470 S HA -0.313 4.170 4.470 0.022 0.000 0.229 470 S C 2.206 176.779 174.600 -0.045 0.000 1.030 470 S CA 1.423 59.592 58.200 -0.052 0.000 1.002 470 S CB -1.027 62.179 63.200 0.011 0.000 0.829 470 S HN 0.676 nan 8.310 nan 0.000 0.467 471 H N 1.657 120.635 119.070 -0.153 0.000 2.265 471 H HA -0.111 4.457 4.556 0.022 0.000 0.295 471 H C 2.353 177.609 175.328 -0.121 0.000 1.084 471 H CA 2.644 58.637 56.048 -0.093 0.000 1.261 471 H CB -0.464 29.255 29.762 -0.071 0.000 1.360 471 H HN 0.491 nan 8.280 nan 0.000 0.487 472 V N -0.712 119.021 119.914 -0.301 0.000 3.141 472 V HA -0.055 4.078 4.120 0.022 0.000 0.265 472 V C 2.381 178.378 176.094 -0.161 0.000 1.126 472 V CA 1.232 63.374 62.300 -0.263 0.000 1.141 472 V CB -0.692 30.843 31.823 -0.479 0.000 0.743 472 V HN 0.303 nan 8.190 nan 0.000 0.492 473 I N 1.111 121.581 120.570 -0.167 0.000 2.400 473 I HA -0.093 4.090 4.170 0.022 0.000 0.248 473 I C 2.828 178.883 176.117 -0.103 0.000 1.109 473 I CA 1.528 62.756 61.300 -0.119 0.000 1.425 473 I CB -0.296 37.642 38.000 -0.103 0.000 1.094 473 I HN 0.460 nan 8.210 nan 0.000 0.425 474 S N 0.439 116.075 115.700 -0.107 0.000 2.336 474 S HA -0.191 4.292 4.470 0.022 0.000 0.214 474 S C 2.098 176.611 174.600 -0.146 0.000 1.032 474 S CA 1.135 59.273 58.200 -0.103 0.000 1.001 474 S CB -0.194 62.957 63.200 -0.082 0.000 0.953 474 S HN 0.292 nan 8.310 nan 0.000 0.430 475 Q N 0.422 120.100 119.800 -0.204 0.000 2.083 475 Q HA 0.017 4.370 4.340 0.022 0.000 0.198 475 Q C 0.517 176.230 176.000 -0.479 0.000 0.969 475 Q CA 1.339 56.942 55.803 -0.334 0.000 0.838 475 Q CB -0.494 27.991 28.738 -0.422 0.000 0.900 475 Q HN 0.791 nan 8.270 nan 0.000 0.436 476 H N 0.306 119.245 119.070 -0.217 0.000 2.476 476 H HA 0.215 4.784 4.556 0.022 0.000 0.256 476 H C 0.850 176.094 175.328 -0.140 0.000 1.321 476 H CA -0.158 55.789 56.048 -0.168 0.000 1.056 476 H CB 0.374 30.027 29.762 -0.182 0.000 1.643 476 H HN 0.084 nan 8.280 nan 0.000 0.541 477 Q N 0.434 120.191 119.800 -0.071 0.000 2.364 477 Q HA -0.075 4.278 4.340 0.022 0.000 0.209 477 Q C 2.078 178.049 176.000 -0.049 0.000 0.977 477 Q CA 0.907 56.672 55.803 -0.063 0.000 0.885 477 Q CB 0.151 28.845 28.738 -0.074 0.000 0.941 477 Q HN 0.647 nan 8.270 nan 0.000 0.464 478 A N 1.023 123.815 122.820 -0.047 0.000 1.933 478 A HA -0.126 4.207 4.320 0.022 0.000 0.218 478 A C 1.963 179.536 177.584 -0.019 0.000 1.175 478 A CA 0.897 52.912 52.037 -0.036 0.000 0.628 478 A CB -0.378 18.595 19.000 -0.045 0.000 0.814 478 A HN 0.355 nan 8.150 nan 0.000 0.444 479 L N -0.582 120.640 121.223 -0.002 0.000 2.168 479 L HA 0.069 4.422 4.340 0.022 0.000 0.203 479 L C 2.233 179.080 176.870 -0.039 0.000 1.078 479 L CA 1.206 56.035 54.840 -0.018 0.000 0.780 479 L CB -0.771 41.276 42.059 -0.020 0.000 0.939 479 L HN 0.404 nan 8.230 nan 0.000 0.451 480 L N 0.863 122.060 121.223 -0.044 0.000 1.971 480 L HA -0.242 4.111 4.340 0.022 0.000 0.215 480 L C 3.074 179.918 176.870 -0.044 0.000 1.072 480 L CA 1.947 56.754 54.840 -0.055 0.000 0.758 480 L CB -1.296 40.724 42.059 -0.065 0.000 0.889 480 L HN 0.427 nan 8.230 nan 0.000 0.433 481 S N 0.644 116.319 115.700 -0.042 0.000 2.392 481 S HA -0.277 4.206 4.470 0.022 0.000 0.232 481 S C 1.972 176.556 174.600 -0.028 0.000 1.041 481 S CA 2.273 60.451 58.200 -0.037 0.000 1.026 481 S CB -0.478 nan 63.200 nan 0.000 0.845 481 S HN 0.460 nan 8.310 nan 0.000 0.465 482 K N 0.674 121.059 120.400 -0.025 0.000 1.985 482 K HA 0.073 4.407 4.320 0.022 0.000 0.210 482 K C 1.888 178.478 176.600 -0.016 0.000 1.047 482 K CA 1.365 57.641 56.287 -0.018 0.000 0.932 482 K CB -0.555 31.935 32.500 -0.017 0.000 0.716 482 K HN 0.430 nan 8.250 nan 0.000 0.439 483 I N 1.584 122.141 120.570 -0.021 0.000 2.091 483 I HA -0.389 3.794 4.170 0.022 0.000 0.240 483 I C 2.964 179.076 176.117 -0.008 0.000 1.046 483 I CA 1.591 62.881 61.300 -0.016 0.000 1.306 483 I CB -0.363 37.622 38.000 -0.026 0.000 1.018 483 I HN 0.282 nan 8.210 nan 0.000 0.404 484 R N 0.516 121.007 120.500 -0.015 0.000 2.083 484 R HA -0.176 4.177 4.340 0.022 0.000 0.237 484 R C 2.142 178.439 176.300 -0.005 0.000 1.137 484 R CA 2.548 58.642 56.100 -0.011 0.000 0.951 484 R CB -0.869 29.416 30.300 -0.026 0.000 0.851 484 R HN 0.299 nan 8.270 nan 0.000 0.434 485 T N 1.270 115.818 114.554 -0.009 0.000 2.698 485 T HA -0.083 4.280 4.350 0.022 0.000 0.260 485 T C 1.195 175.896 174.700 0.001 0.000 1.044 485 T CA 1.610 63.707 62.100 -0.004 0.000 1.149 485 T CB -0.403 68.460 68.868 -0.009 0.000 0.864 485 T HN 0.309 nan 8.240 nan 0.000 0.419 486 D N 0.400 120.800 120.400 -0.000 0.000 2.126 486 D HA -0.041 4.612 4.640 0.022 0.000 0.190 486 D C 1.714 178.019 176.300 0.008 0.000 1.001 486 D CA 1.877 55.879 54.000 0.004 0.000 0.841 486 D CB -0.554 40.249 40.800 0.004 0.000 0.949 486 D HN 0.572 nan 8.370 nan 0.000 0.446 487 G N -0.333 108.473 108.800 0.009 0.000 2.175 487 G HA2 -0.289 3.684 3.960 0.022 0.000 0.244 487 G HA3 -0.289 3.684 3.960 0.022 0.000 0.244 487 G C 0.395 175.306 174.900 0.017 0.000 0.982 487 G CA 0.544 45.653 45.100 0.014 0.000 0.641 487 G HN 0.571 nan 8.290 nan 0.000 0.527 488 K N -0.673 119.737 120.400 0.017 0.000 2.430 488 K HA 0.782 5.115 4.320 0.022 0.000 0.268 488 K C -1.029 175.585 176.600 0.023 0.000 1.043 488 K CA -1.245 55.055 56.287 0.022 0.000 0.899 488 K CB 1.236 33.749 32.500 0.021 0.000 1.472 488 K HN 0.065 nan 8.250 nan 0.000 0.451 489 I N 3.022 123.612 120.570 0.034 0.000 2.412 489 I HA 0.140 4.323 4.170 0.022 0.000 0.279 489 I C -0.188 175.951 176.117 0.037 0.000 1.063 489 I CA -0.551 60.771 61.300 0.037 0.000 1.193 489 I CB 1.396 39.437 38.000 0.068 0.000 1.370 489 I HN 0.546 nan 8.210 nan 0.000 0.479 490 S N 3.602 119.316 115.700 0.023 0.000 2.589 490 S HA 0.156 4.639 4.470 0.022 0.000 0.265 490 S C 1.128 175.745 174.600 0.028 0.000 1.342 490 S CA -0.696 57.518 58.200 0.023 0.000 1.005 490 S CB 1.151 64.360 63.200 0.014 0.000 0.909 490 S HN 0.566 nan 8.310 nan 0.000 0.555 491 E N 0.560 120.778 120.200 0.030 0.000 2.130 491 E HA -0.221 4.142 4.350 0.022 0.000 0.196 491 E C 1.798 178.417 176.600 0.031 0.000 0.998 491 E CA 1.159 57.581 56.400 0.036 0.000 0.806 491 E CB -0.064 29.655 29.700 0.032 0.000 0.738 491 E HN 0.675 nan 8.360 nan 0.000 0.459 492 E N 0.546 120.758 120.200 0.019 0.000 2.046 492 E HA -0.079 4.284 4.350 0.022 0.000 0.190 492 E C 2.198 178.799 176.600 0.001 0.000 0.982 492 E CA 0.588 56.996 56.400 0.013 0.000 0.800 492 E CB 0.042 29.747 29.700 0.009 0.000 0.756 492 E HN 0.009 nan 8.360 nan 0.000 0.449 493 S N 1.008 116.705 115.700 -0.006 0.000 2.359 493 S HA -0.208 4.275 4.470 0.022 0.000 0.224 493 S C 1.671 176.237 174.600 -0.056 0.000 1.035 493 S CA 1.676 59.857 58.200 -0.031 0.000 1.018 493 S CB -0.368 62.816 63.200 -0.026 0.000 0.876 493 S HN 0.402 nan 8.310 nan 0.000 0.448 494 D N 1.173 121.566 120.400 -0.011 0.000 2.117 494 D HA -0.030 4.623 4.640 0.022 0.000 0.198 494 D C 1.941 178.256 176.300 0.026 0.000 0.982 494 D CA 1.250 55.262 54.000 0.019 0.000 0.828 494 D CB -0.305 40.570 40.800 0.124 0.000 0.967 494 D HN 0.307 nan 8.370 nan 0.000 0.464 495 A N 0.463 123.304 122.820 0.036 0.000 1.877 495 A HA -0.199 4.134 4.320 0.022 0.000 0.216 495 A C 2.178 179.768 177.584 0.009 0.000 1.186 495 A CA 1.892 53.955 52.037 0.043 0.000 0.620 495 A CB -0.758 18.264 19.000 0.038 0.000 0.822 495 A HN 0.291 nan 8.150 nan 0.000 0.443 496 K N -0.922 119.465 120.400 -0.021 0.000 2.057 496 K HA -0.123 4.210 4.320 0.022 0.000 0.207 496 K C 1.896 178.434 176.600 -0.104 0.000 1.049 496 K CA 1.451 57.714 56.287 -0.040 0.000 0.931 496 K CB -0.292 32.187 32.500 -0.034 0.000 0.714 496 K HN 0.298 nan 8.250 nan 0.000 0.440 497 L N 2.034 123.148 121.223 -0.182 0.000 2.017 497 L HA -0.182 4.171 4.340 0.022 0.000 0.208 497 L C 2.367 179.059 176.870 -0.298 0.000 1.073 497 L CA 1.867 56.503 54.840 -0.339 0.000 0.745 497 L CB -0.586 41.103 42.059 -0.616 0.000 0.894 497 L HN 0.176 nan 8.230 nan 0.000 0.432 498 K N -0.539 119.765 120.400 -0.160 0.000 2.059 498 K HA -0.302 4.031 4.320 0.022 0.000 0.212 498 K C 2.144 178.700 176.600 -0.074 0.000 1.050 498 K CA 2.233 58.508 56.287 -0.019 0.000 0.927 498 K CB -0.287 32.329 32.500 0.193 0.000 0.714 498 K HN 0.504 nan 8.250 nan 0.000 0.447 499 E N 0.318 120.506 120.200 -0.019 0.000 2.106 499 E HA -0.161 4.202 4.350 0.022 0.000 0.192 499 E C 2.087 178.690 176.600 0.004 0.000 0.984 499 E CA 1.133 57.542 56.400 0.014 0.000 0.806 499 E CB -0.064 29.654 29.700 0.030 0.000 0.750 499 E HN 0.401 nan 8.360 nan 0.000 0.458 500 I N 0.858 121.399 120.570 -0.049 0.000 2.208 500 I HA -0.268 3.915 4.170 0.022 0.000 0.245 500 I C 2.549 178.723 176.117 0.096 0.000 1.097 500 I CA 1.120 62.398 61.300 -0.036 0.000 1.363 500 I CB -0.387 37.473 38.000 -0.233 0.000 1.051 500 I HN 0.138 nan 8.210 nan 0.000 0.413 501 V N -2.692 117.219 119.914 -0.006 0.000 2.453 501 V HA -0.185 3.948 4.120 0.022 0.000 0.247 501 V C 2.307 178.435 176.094 0.056 0.000 1.048 501 V CA 2.013 64.321 62.300 0.013 0.000 1.049 501 V CB -1.446 30.125 31.823 -0.421 0.000 0.672 501 V HN 0.324 nan 8.190 nan 0.000 0.457 502 T N 1.718 116.259 114.554 -0.022 0.000 2.570 502 T HA -0.259 4.104 4.350 0.022 0.000 0.266 502 T C 1.773 176.557 174.700 0.140 0.000 1.071 502 T CA 2.879 65.037 62.100 0.097 0.000 1.172 502 T CB -0.680 68.245 68.868 0.094 0.000 0.864 502 T HN 0.741 nan 8.240 nan 0.000 0.421 503 N N 0.090 118.869 118.700 0.132 0.000 2.058 503 N HA -0.037 4.716 4.740 0.022 0.000 0.191 503 N C 1.695 177.285 175.510 0.133 0.000 1.037 503 N CA 1.067 54.193 53.050 0.126 0.000 0.848 503 N CB -0.350 38.212 38.487 0.125 0.000 1.021 503 N HN 0.248 nan 8.380 nan 0.000 0.422 504 F N 1.893 121.867 119.950 0.040 0.000 2.115 504 F HA -0.240 4.300 4.527 0.022 0.000 0.300 504 F C 2.009 177.845 175.800 0.060 0.000 1.092 504 F CA 1.196 59.166 58.000 -0.049 0.000 1.245 504 F CB -0.202 38.752 39.000 -0.078 0.000 0.995 504 F HN 0.020 nan 8.300 nan 0.000 0.481 505 L N 0.512 121.939 121.223 0.339 0.000 1.956 505 L HA -0.243 4.110 4.340 0.022 0.000 0.216 505 L C 2.788 179.764 176.870 0.176 0.000 1.073 505 L CA 2.204 57.237 54.840 0.323 0.000 0.762 505 L CB -2.050 40.178 42.059 0.282 0.000 0.889 505 L HN 0.295 nan 8.230 nan 0.000 0.433 506 A N -0.838 122.054 122.820 0.121 0.000 2.093 506 A HA -0.172 4.161 4.320 0.022 0.000 0.222 506 A C 2.100 179.696 177.584 0.019 0.000 1.162 506 A CA 1.855 53.935 52.037 0.071 0.000 0.655 506 A CB -0.914 18.124 19.000 0.064 0.000 0.805 506 A HN 0.562 nan 8.150 nan 0.000 0.461 507 G N -2.787 105.985 108.800 -0.047 0.000 3.044 507 G HA2 0.325 4.298 3.960 0.022 0.000 0.223 507 G HA3 0.325 4.298 3.960 0.022 0.000 0.223 507 G C 0.150 174.959 174.900 -0.151 0.000 1.123 507 G CA -0.342 44.687 45.100 -0.118 0.000 0.765 507 G HN 0.291 nan 8.290 nan 0.000 0.546 508 F N 2.435 122.223 119.950 -0.270 0.000 2.571 508 F HA 0.343 4.882 4.527 0.022 0.000 0.384 508 F C 0.622 176.375 175.800 -0.079 0.000 1.058 508 F CA -1.191 56.682 58.000 -0.212 0.000 1.200 508 F CB 0.860 39.849 39.000 -0.019 0.000 1.077 508 F HN 0.067 nan 8.300 nan 0.000 0.558 509 E N 5.368 125.131 120.200 -0.727 0.000 2.259 509 E HA 0.491 4.854 4.350 0.022 0.000 0.281 509 E C -0.303 175.951 176.600 -0.576 0.000 1.037 509 E CA -0.452 55.647 56.400 -0.501 0.000 0.854 509 E CB 0.972 30.439 29.700 -0.387 0.000 1.051 509 E HN 0.732 nan 8.360 nan 0.000 0.409 510 A N 0.000 122.690 122.820 -0.217 0.000 2.254 510 A HA 0.000 4.333 4.320 0.022 0.000 0.244 510 A CA 0.000 51.993 52.037 -0.073 0.000 0.836 510 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486