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 2w6g_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 2.654 123.855 121.223 -0.038 0.000 2.653 25 L HA 0.215 4.561 4.340 0.010 0.000 0.231 25 L C 1.582 178.405 176.870 -0.078 0.000 1.153 25 L CA 0.051 54.845 54.840 -0.075 0.000 0.933 25 L CB 0.312 42.309 42.059 -0.104 0.000 1.175 25 L HN 0.329 nan 8.230 nan 0.000 0.473 26 E N 0.209 120.378 120.200 -0.052 0.000 2.166 26 E HA -0.006 4.350 4.350 0.010 0.000 0.192 26 E C 1.038 177.611 176.600 -0.045 0.000 0.967 26 E CA 0.721 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 0.416 120.591 120.200 -0.042 0.000 2.562 27 E HA 0.168 4.524 4.350 0.010 0.000 0.214 27 E C 0.076 176.646 176.600 -0.050 0.000 0.979 27 E CA 0.185 56.560 56.400 -0.042 0.000 1.002 27 E CB 1.451 31.132 29.700 -0.032 0.000 1.048 27 E HN -0.010 nan 8.360 nan 0.000 0.488 28 T N -0.259 114.264 114.554 -0.053 0.000 2.887 28 T HA 0.725 5.081 4.350 0.010 0.000 0.292 28 T C -0.159 174.503 174.700 -0.063 0.000 1.087 28 T CA -0.678 61.389 62.100 -0.054 0.000 1.009 28 T CB 2.281 71.128 68.868 -0.035 0.000 1.203 28 T HN 0.109 nan 8.240 nan 0.000 0.518 29 G N 0.414 109.183 108.800 -0.051 0.000 2.718 29 G HA2 0.637 4.603 3.960 0.010 0.000 0.295 29 G HA3 0.637 4.603 3.960 0.010 0.000 0.295 29 G C -1.733 173.179 174.900 0.020 0.000 1.421 29 G CA -0.828 44.252 45.100 -0.034 0.000 0.902 29 G HN 0.542 nan 8.290 nan 0.000 0.501 30 R N 0.526 121.070 120.500 0.074 0.000 2.445 30 R HA 0.489 4.835 4.340 0.010 0.000 0.308 30 R C -0.319 176.052 176.300 0.119 0.000 0.961 30 R CA -0.729 55.428 56.100 0.095 0.000 0.862 30 R CB 2.428 32.786 30.300 0.097 0.000 1.144 30 R HN 0.341 nan 8.270 nan 0.000 0.447 31 V N 5.116 125.104 119.914 0.122 0.000 2.599 31 V HA -0.066 4.060 4.120 0.010 0.000 0.300 31 V C 1.624 177.771 176.094 0.089 0.000 1.034 31 V CA 0.573 62.949 62.300 0.127 0.000 1.115 31 V CB 0.499 32.403 31.823 0.136 0.000 0.934 31 V HN 0.742 nan 8.190 nan 0.000 0.485 32 L N 3.631 124.904 121.223 0.082 0.000 2.298 32 L HA 0.179 4.525 4.340 0.010 0.000 0.209 32 L C 0.749 177.636 176.870 0.028 0.000 1.084 32 L CA 0.861 55.730 54.840 0.047 0.000 0.816 32 L CB 0.254 42.339 42.059 0.044 0.000 0.967 32 L HN 0.878 nan 8.230 nan 0.000 0.460 33 S N -0.848 114.871 115.700 0.032 0.000 2.579 33 S HA 0.472 4.948 4.470 0.010 0.000 0.290 33 S C -1.225 173.378 174.600 0.005 0.000 1.123 33 S CA -0.872 57.336 58.200 0.013 0.000 0.894 33 S CB 1.765 64.969 63.200 0.006 0.000 1.095 33 S HN -0.016 nan 8.310 nan 0.000 0.450 34 I N 1.618 122.180 120.570 -0.014 0.000 2.530 34 I HA 0.974 5.150 4.170 0.010 0.000 0.297 34 I C -0.024 176.070 176.117 -0.038 0.000 1.011 34 I CA 0.136 61.412 61.300 -0.040 0.000 1.107 34 I CB 1.575 39.530 38.000 -0.074 0.000 1.285 34 I HN 1.432 nan 8.210 nan 0.000 0.436 35 G N 4.861 113.634 108.800 -0.045 0.000 2.380 35 G HA2 0.314 4.280 3.960 0.010 0.000 0.305 35 G HA3 0.314 4.280 3.960 0.010 0.000 0.305 35 G C -1.130 173.745 174.900 -0.040 0.000 1.672 35 G CA -0.550 44.527 45.100 -0.038 0.000 0.904 35 G HN 0.718 nan 8.290 nan 0.000 0.686 36 D N 0.131 120.507 120.400 -0.039 0.000 2.772 36 D HA -0.179 4.467 4.640 0.010 0.000 0.233 36 D C 1.630 177.901 176.300 -0.047 0.000 1.143 36 D CA 2.638 56.614 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 2.292 nan 8.370 nan 0.000 0.430 37 G N -0.283 108.482 108.800 -0.057 0.000 2.296 37 G HA2 -0.305 3.661 3.960 0.010 0.000 0.282 37 G HA3 -0.305 3.661 3.960 0.010 0.000 0.282 37 G C 0.287 175.139 174.900 -0.079 0.000 1.014 37 G CA 0.480 45.536 45.100 -0.073 0.000 0.812 37 G HN 0.535 nan 8.290 nan 0.000 0.508 38 I N 0.654 121.186 120.570 -0.063 0.000 2.439 38 I HA 0.579 4.755 4.170 0.010 0.000 0.283 38 I C 0.443 176.541 176.117 -0.031 0.000 1.023 38 I CA -0.740 60.532 61.300 -0.046 0.000 1.100 38 I CB 1.450 39.429 38.000 -0.034 0.000 1.238 38 I HN 0.260 nan 8.210 nan 0.000 0.445 39 A N 8.037 130.851 122.820 -0.010 0.000 2.290 39 A HA 0.665 4.991 4.320 0.010 0.000 0.310 39 A C -0.051 177.574 177.584 0.069 0.000 1.202 39 A CA -0.659 51.393 52.037 0.026 0.000 0.837 39 A CB 0.619 19.647 19.000 0.047 0.000 1.139 39 A HN 0.567 nan 8.150 nan 0.000 0.509 40 R N 2.579 123.115 120.500 0.059 0.000 2.233 40 R HA 0.359 4.705 4.340 0.010 0.000 0.334 40 R C -0.812 175.543 176.300 0.091 0.000 1.037 40 R CA -0.288 55.850 56.100 0.064 0.000 0.920 40 R CB 0.659 30.984 30.300 0.042 0.000 1.137 40 R HN 0.479 nan 8.270 nan 0.000 0.492 41 V N 2.757 122.732 119.914 0.103 0.000 2.686 41 V HA 0.127 4.253 4.120 0.010 0.000 0.295 41 V C 0.172 176.336 176.094 0.118 0.000 1.057 41 V CA -0.689 61.677 62.300 0.110 0.000 1.012 41 V CB 1.268 33.139 31.823 0.079 0.000 1.006 41 V HN 0.617 nan 8.190 nan 0.000 0.477 42 H N 1.862 120.947 119.070 0.025 0.000 2.476 42 H HA 0.682 5.243 4.556 0.009 0.000 0.328 42 H C 0.257 175.590 175.328 0.008 0.000 1.073 42 H CA 0.749 56.806 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 3.096 111.559 108.800 -0.561 0.000 2.443 43 G HA2 -0.171 3.795 3.960 0.010 0.000 0.209 43 G HA3 -0.171 3.795 3.960 0.010 0.000 0.209 43 G C -0.235 174.556 174.900 -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 -0.524 120.624 121.223 -0.125 0.000 3.678 44 L HA -0.225 4.121 4.340 0.010 0.000 0.425 44 L C 2.016 178.843 176.870 -0.072 0.000 1.240 44 L CA 1.069 55.859 54.840 -0.084 0.000 0.876 44 L CB -0.784 41.232 42.059 -0.072 0.000 1.766 44 L HN 0.679 nan 8.230 nan 0.000 0.917 45 R N -0.506 119.947 120.500 -0.079 0.000 2.293 45 R HA -0.095 4.251 4.340 0.010 0.000 0.219 45 R C 1.428 177.704 176.300 -0.039 0.000 1.091 45 R CA 1.286 57.351 56.100 -0.059 0.000 1.004 45 R CB -0.159 30.108 30.300 -0.056 0.000 0.865 45 R HN 0.464 nan 8.270 nan 0.000 0.469 46 N N -0.322 118.356 118.700 -0.038 0.000 2.205 46 N HA 0.028 4.774 4.740 0.010 0.000 0.201 46 N C -0.283 175.213 175.510 -0.024 0.000 1.128 46 N CA 0.058 53.092 53.050 -0.027 0.000 0.867 46 N CB 0.642 39.113 38.487 -0.026 0.000 0.996 46 N HN -0.054 nan 8.380 nan 0.000 0.503 47 V N 0.349 120.247 119.914 -0.028 0.000 2.901 47 V HA 0.034 4.159 4.120 0.010 0.000 0.307 47 V C 0.596 176.684 176.094 -0.010 0.000 1.084 47 V CA -0.356 61.931 62.300 -0.021 0.000 1.184 47 V CB 0.223 32.033 31.823 -0.023 0.000 0.941 47 V HN 0.095 nan 8.190 nan 0.000 0.493 48 Q N 1.710 121.508 119.800 -0.004 0.000 2.193 48 Q HA 0.704 5.050 4.340 0.010 0.000 0.246 48 Q C 0.097 176.102 176.000 0.009 0.000 0.959 48 Q CA -0.516 55.288 55.803 0.002 0.000 0.904 48 Q CB 1.412 30.152 28.738 0.003 0.000 1.238 48 Q HN 1.070 nan 8.270 nan 0.000 0.469 49 A N 1.267 124.095 122.820 0.013 0.000 2.450 49 A HA 0.159 4.485 4.320 0.010 0.000 0.255 49 A C -0.125 177.476 177.584 0.028 0.000 1.096 49 A CA 0.113 52.163 52.037 0.021 0.000 0.778 49 A CB -0.225 18.788 19.000 0.022 0.000 1.031 49 A HN 0.917 nan 8.150 nan 0.000 0.494 50 E N -0.555 119.670 120.200 0.040 0.000 3.303 50 E HA -0.176 4.180 4.350 0.010 0.000 0.302 50 E C 0.084 176.718 176.600 0.057 0.000 0.902 50 E CA 1.135 57.569 56.400 0.056 0.000 1.042 50 E CB -1.345 28.383 29.700 0.046 0.000 1.528 50 E HN 0.913 nan 8.360 nan 0.000 0.424 51 E N 0.495 120.722 120.200 0.045 0.000 2.313 51 E HA 0.270 4.626 4.350 0.010 0.000 0.272 51 E C 0.101 176.737 176.600 0.059 0.000 1.038 51 E CA -0.620 55.802 56.400 0.037 0.000 0.863 51 E CB 0.738 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 3.624 123.260 119.600 0.061 0.000 2.228 52 M HA 0.130 4.616 4.480 0.010 0.000 0.351 52 M C -0.200 176.117 176.300 0.030 0.000 1.233 52 M CA -0.074 55.279 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 1.485 121.403 119.914 0.006 0.000 3.155 53 V HA 0.707 4.833 4.120 0.010 0.000 0.313 53 V C -0.723 175.268 176.094 -0.172 0.000 1.162 53 V CA -0.862 61.369 62.300 -0.115 0.000 1.048 53 V CB 2.518 34.227 31.823 -0.191 0.000 1.092 53 V HN 0.816 nan 8.190 nan 0.000 0.447 54 E N 0.619 120.662 120.200 -0.261 0.000 2.248 54 E HA 0.543 4.899 4.350 0.010 0.000 0.267 54 E C -1.866 174.525 176.600 -0.349 0.000 0.877 54 E CA -0.413 55.868 56.400 -0.199 0.000 0.759 54 E CB 2.533 32.195 29.700 -0.063 0.000 1.182 54 E HN 0.629 nan 8.360 nan 0.000 0.418 55 F N 0.599 120.572 119.950 0.039 0.000 2.377 55 F HA 0.114 4.649 4.527 0.013 0.000 0.328 55 F C 1.866 177.682 175.800 0.026 0.000 1.094 55 F CA -0.192 57.827 58.000 0.031 0.000 1.093 55 F CB 1.371 40.390 39.000 0.032 0.000 1.214 55 F HN 0.433 nan 8.300 nan 0.000 0.518 56 S N 0.435 116.253 115.700 0.197 0.000 2.409 56 S HA -0.238 4.238 4.470 0.010 0.000 0.237 56 S C 1.670 176.336 174.600 0.109 0.000 1.060 56 S CA 1.953 60.222 58.200 0.116 0.000 1.052 56 S CB -0.542 62.718 63.200 0.100 0.000 0.871 56 S HN 0.691 nan 8.310 nan 0.000 0.465 57 S N 0.373 116.156 115.700 0.139 0.000 2.743 57 S HA 0.428 4.904 4.470 0.010 0.000 0.230 57 S C 1.259 175.924 174.600 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 62.994 63.200 0.081 0.000 0.779 57 S HN 0.759 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 3.707 3.960 0.010 0.000 0.270 58 G HA3 -0.259 3.707 3.960 0.010 0.000 0.270 58 G C -0.094 174.893 174.900 0.146 0.000 1.011 58 G CA 0.417 45.582 45.100 0.108 0.000 0.762 58 G HN 0.539 nan 8.290 nan 0.000 0.511 59 L N -0.325 121.032 121.223 0.222 0.000 2.421 59 L HA 0.744 5.090 4.340 0.010 0.000 0.263 59 L C 0.598 177.711 176.870 0.406 0.000 1.122 59 L CA -0.347 54.647 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 0.309 120.941 120.400 0.387 0.000 2.221 60 K HA 0.826 5.152 4.320 0.010 0.000 0.243 60 K C -0.679 176.269 176.600 0.580 0.000 0.968 60 K CA -0.693 55.851 56.287 0.429 0.000 0.846 60 K CB 1.874 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 0.661 109.755 108.800 0.490 0.000 2.684 61 G HA2 0.517 4.483 3.960 0.010 0.000 0.290 61 G HA3 0.517 4.483 3.960 0.010 0.000 0.290 61 G C -1.819 173.230 174.900 0.248 0.000 1.425 61 G CA -0.779 44.500 45.100 0.299 0.000 0.822 61 G HN 0.526 nan 8.290 nan 0.000 0.482 62 M N 1.108 120.733 119.600 0.042 0.000 2.243 62 M HA 0.573 5.059 4.480 0.010 0.000 0.324 62 M C -0.500 175.836 176.300 0.061 0.000 1.031 62 M CA -0.494 54.892 55.300 0.144 0.000 0.949 62 M CB 1.682 34.419 32.600 0.227 0.000 1.615 62 M HN 0.338 nan 8.290 nan 0.000 0.430 63 S N 4.689 120.426 115.700 0.061 0.000 2.429 63 S HA 0.118 4.594 4.470 0.010 0.000 0.292 63 S C 0.549 175.175 174.600 0.042 0.000 1.183 63 S CA -0.498 57.724 58.200 0.038 0.000 1.088 63 S CB 0.502 63.716 63.200 0.023 0.000 1.018 63 S HN 0.722 nan 8.310 nan 0.000 0.511 64 L N 5.172 126.416 121.223 0.035 0.000 2.187 64 L HA 0.329 4.675 4.340 0.010 0.000 0.197 64 L C 0.102 176.990 176.870 0.031 0.000 1.090 64 L CA 1.429 56.291 54.840 0.037 0.000 0.781 64 L CB -0.174 41.900 42.059 0.025 0.000 0.956 64 L HN 0.472 nan 8.230 nan 0.000 0.463 65 N N -0.110 118.605 118.700 0.024 0.000 2.408 65 N HA 0.473 5.219 4.740 0.010 0.000 0.280 65 N C -1.355 174.166 175.510 0.019 0.000 1.002 65 N CA -0.155 52.908 53.050 0.021 0.000 0.907 65 N CB 1.188 39.685 38.487 0.018 0.000 1.161 65 N HN 0.044 nan 8.380 nan 0.000 0.488 66 L N 2.145 123.379 121.223 0.017 0.000 2.297 66 L HA 0.375 4.721 4.340 0.010 0.000 0.277 66 L C 0.016 176.893 176.870 0.013 0.000 1.040 66 L CA -0.377 54.471 54.840 0.013 0.000 0.867 66 L CB 0.370 42.434 42.059 0.010 0.000 1.244 66 L HN 0.457 nan 8.230 nan 0.000 0.433 67 E N 3.280 123.489 120.200 0.015 0.000 2.222 67 E HA 0.269 4.625 4.350 0.010 0.000 0.272 67 E C -1.621 174.990 176.600 0.018 0.000 0.982 67 E CA -1.864 54.546 56.400 0.017 0.000 0.842 67 E CB 1.490 31.202 29.700 0.020 0.000 1.144 67 E HN 0.249 nan 8.360 nan 0.000 0.397 68 P HA -0.180 nan 4.420 nan 0.000 0.222 68 P C -0.536 176.781 177.300 0.029 0.000 1.139 68 P CA 1.433 64.544 63.100 0.019 0.000 0.790 68 P CB 0.059 31.770 31.700 0.018 0.000 0.757 69 D N -3.403 117.022 120.400 0.041 0.000 2.969 69 D HA 0.150 4.796 4.640 0.010 0.000 0.317 69 D C -0.418 175.946 176.300 0.107 0.000 1.650 69 D CA -0.666 53.378 54.000 0.074 0.000 0.789 69 D CB -1.187 39.658 40.800 0.075 0.000 1.277 69 D HN 0.250 nan 8.370 nan 0.000 0.463 70 N N -1.824 116.916 118.700 0.067 0.000 4.310 70 N HA 0.334 5.080 4.740 0.010 0.000 0.212 70 N C -2.242 173.291 175.510 0.037 0.000 1.277 70 N CA -0.947 52.146 53.050 0.072 0.000 0.854 70 N CB 0.869 39.407 38.487 0.086 0.000 1.480 70 N HN -0.117 nan 8.380 nan 0.000 0.489 71 V N 0.214 120.149 119.914 0.036 0.000 2.409 71 V HA 0.799 4.925 4.120 0.010 0.000 0.291 71 V C 0.685 176.802 176.094 0.038 0.000 1.020 71 V CA -0.366 61.949 62.300 0.026 0.000 0.848 71 V CB 1.258 33.087 31.823 0.012 0.000 0.990 71 V HN 0.906 nan 8.190 nan 0.000 0.430 72 G N 3.888 112.707 108.800 0.031 0.000 2.351 72 G HA2 0.498 4.464 3.960 0.010 0.000 0.287 72 G HA3 0.498 4.464 3.960 0.010 0.000 0.287 72 G C -0.627 174.295 174.900 0.035 0.000 1.159 72 G CA -0.133 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 3.114 123.063 119.914 0.058 0.000 2.547 73 V HA 0.306 4.432 4.120 0.010 0.000 0.299 73 V C 0.057 176.163 176.094 0.020 0.000 1.040 73 V CA -0.682 61.661 62.300 0.072 0.000 0.913 73 V CB 2.068 34.000 31.823 0.182 0.000 0.992 73 V HN 0.477 nan 8.190 nan 0.000 0.449 74 V N 5.554 125.430 119.914 -0.062 0.000 2.348 74 V HA 0.246 4.372 4.120 0.010 0.000 0.270 74 V C 0.097 175.989 176.094 -0.337 0.000 1.037 74 V CA -0.432 61.755 62.300 -0.189 0.000 0.872 74 V CB 1.529 33.216 31.823 -0.227 0.000 1.002 74 V HN 0.617 nan 8.190 nan 0.000 0.464 75 V N 6.439 126.213 119.914 -0.233 0.000 2.470 75 V HA 0.174 4.300 4.120 0.010 0.000 0.276 75 V C 0.358 176.327 176.094 -0.208 0.000 1.040 75 V CA -0.014 62.165 62.300 -0.203 0.000 1.008 75 V CB 0.491 32.167 31.823 -0.246 0.000 0.990 75 V HN 0.717 nan 8.190 nan 0.000 0.477 76 F N 4.519 124.528 119.950 0.099 0.000 2.833 76 F HA 0.573 5.103 4.527 0.005 0.000 0.327 76 F C 1.139 176.974 175.800 0.058 0.000 1.184 76 F CA 0.236 58.290 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 -0.268 108.616 108.800 0.140 0.000 2.315 77 G HA2 0.027 3.993 3.960 0.010 0.000 0.294 77 G HA3 0.027 3.993 3.960 0.010 0.000 0.294 77 G C -1.470 173.442 174.900 0.020 0.000 1.300 77 G CA -1.238 43.915 45.100 0.089 0.000 0.843 77 G HN -0.038 nan 8.290 nan 0.000 0.527 78 N N 1.124 119.831 118.700 0.011 0.000 2.412 78 N HA 0.037 4.783 4.740 0.010 0.000 0.258 78 N C 0.829 176.307 175.510 -0.055 0.000 1.236 78 N CA 0.536 53.578 53.050 -0.014 0.000 0.882 78 N CB 0.750 39.235 38.487 -0.004 0.000 1.066 78 N HN 0.533 nan 8.380 nan 0.000 0.465 79 D N 2.829 123.186 120.400 -0.071 0.000 2.319 79 D HA -0.087 4.559 4.640 0.010 0.000 0.230 79 D C 1.097 177.344 176.300 -0.088 0.000 1.094 79 D CA 0.120 54.051 54.000 -0.115 0.000 0.856 79 D CB 0.061 40.788 40.800 -0.120 0.000 0.915 79 D HN 0.717 nan 8.370 nan 0.000 0.517 80 K N 1.086 121.452 120.400 -0.057 0.000 2.103 80 K HA -0.067 4.259 4.320 0.010 0.000 0.204 80 K C 2.098 178.672 176.600 -0.044 0.000 1.052 80 K CA 0.490 56.753 56.287 -0.041 0.000 0.945 80 K CB -0.453 32.033 32.500 -0.023 0.000 0.722 80 K HN 0.106 nan 8.250 nan 0.000 0.443 81 L N 1.210 122.403 121.223 -0.049 0.000 2.353 81 L HA 0.049 4.395 4.340 0.010 0.000 0.220 81 L C 1.135 177.969 176.870 -0.060 0.000 1.133 81 L CA 0.484 55.299 54.840 -0.041 0.000 0.798 81 L CB -0.631 41.408 42.059 -0.033 0.000 0.922 81 L HN 0.177 nan 8.230 nan 0.000 0.445 82 I N 0.009 120.510 120.570 -0.114 0.000 2.488 82 I HA 0.262 4.437 4.170 0.010 0.000 0.299 82 I C -0.045 176.035 176.117 -0.062 0.000 0.984 82 I CA -0.315 60.909 61.300 -0.127 0.000 1.250 82 I CB 1.411 39.224 38.000 -0.312 0.000 1.389 82 I HN 0.003 nan 8.210 nan 0.000 0.488 83 K N 3.522 123.912 120.400 -0.017 0.000 2.509 83 K HA 0.339 4.665 4.320 0.010 0.000 0.266 83 K C -1.028 175.584 176.600 0.020 0.000 0.987 83 K CA -0.992 55.294 56.287 -0.002 0.000 0.868 83 K CB 2.118 34.621 32.500 0.006 0.000 1.421 83 K HN 0.518 nan 8.250 nan 0.000 0.444 84 E N 0.213 120.423 120.200 0.015 0.000 2.465 84 E HA -0.002 4.354 4.350 0.010 0.000 0.260 84 E C 0.580 177.201 176.600 0.035 0.000 0.980 84 E CA 1.470 57.885 56.400 0.025 0.000 0.927 84 E CB 0.048 29.755 29.700 0.013 0.000 0.934 84 E HN 0.759 nan 8.360 nan 0.000 0.459 85 G N 3.903 112.732 108.800 0.050 0.000 2.217 85 G HA2 -0.241 3.725 3.960 0.010 0.000 0.246 85 G HA3 -0.241 3.725 3.960 0.010 0.000 0.246 85 G C -0.065 174.874 174.900 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 0.214 120.663 120.400 0.083 0.000 2.390 86 D HA 0.407 5.053 4.640 0.010 0.000 0.236 86 D C 0.722 177.087 176.300 0.108 0.000 1.189 86 D CA 0.093 54.156 54.000 0.104 0.000 0.887 86 D CB 0.570 41.460 40.800 0.150 0.000 1.198 86 D HN 0.174 nan 8.370 nan 0.000 0.444 87 I N 0.878 121.502 120.570 0.089 0.000 2.396 87 I HA 0.137 4.313 4.170 0.010 0.000 0.292 87 I C -0.289 175.840 176.117 0.020 0.000 0.999 87 I CA -0.336 60.994 61.300 0.050 0.000 1.310 87 I CB 1.480 39.496 38.000 0.027 0.000 1.404 87 I HN -0.014 nan 8.210 nan 0.000 0.496 88 V N 6.890 126.774 119.914 -0.049 0.000 2.448 88 V HA 0.483 4.609 4.120 0.010 0.000 0.295 88 V C -0.198 175.796 176.094 -0.167 0.000 1.025 88 V CA -0.936 61.236 62.300 -0.213 0.000 0.859 88 V CB 1.531 33.188 31.823 -0.277 0.000 0.988 88 V HN 0.578 nan 8.190 nan 0.000 0.431 89 K N 4.049 124.340 120.400 -0.181 0.000 2.259 89 K HA 0.641 4.967 4.320 0.010 0.000 0.252 89 K C -0.196 176.334 176.600 -0.116 0.000 0.936 89 K CA -0.893 55.325 56.287 -0.114 0.000 0.810 89 K CB 2.652 35.108 32.500 -0.074 0.000 1.143 89 K HN 0.595 nan 8.250 nan 0.000 0.427 90 R N -0.024 120.427 120.500 -0.083 0.000 2.840 90 R HA 0.072 4.418 4.340 0.010 0.000 0.282 90 R C 1.047 177.318 176.300 -0.049 0.000 1.133 90 R CA 0.345 56.406 56.100 -0.065 0.000 1.208 90 R CB 0.069 30.341 30.300 -0.047 0.000 1.160 90 R HN 0.823 nan 8.270 nan 0.000 0.576 91 T N -4.434 110.100 114.554 -0.033 0.000 3.252 91 T HA 0.168 4.524 4.350 0.010 0.000 0.295 91 T C 1.118 175.809 174.700 -0.015 0.000 0.897 91 T CA 0.212 62.299 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 1.533 110.323 108.800 -0.016 0.000 2.212 92 G HA2 0.033 3.999 3.960 0.010 0.000 0.267 92 G HA3 0.033 3.999 3.960 0.010 0.000 0.267 92 G C 0.236 175.132 174.900 -0.007 0.000 1.002 92 G CA 0.147 45.241 45.100 -0.012 0.000 0.729 92 G HN 1.560 nan 8.290 nan 0.000 0.517 93 A N 0.173 122.991 122.820 -0.004 0.000 2.319 93 A HA 0.731 5.057 4.320 0.010 0.000 0.310 93 A C 0.234 177.823 177.584 0.009 0.000 1.152 93 A CA -0.770 51.267 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 0.436 nan 8.150 nan 0.000 0.474 94 I N 2.662 123.237 120.570 0.008 0.000 2.683 94 I HA -0.003 4.173 4.170 0.010 0.000 0.286 94 I C 0.790 176.915 176.117 0.012 0.000 1.175 94 I CA 0.192 61.501 61.300 0.015 0.000 1.429 94 I CB 0.609 38.614 38.000 0.008 0.000 1.371 94 I HN 0.424 nan 8.210 nan 0.000 0.569 95 V N 7.558 127.489 119.914 0.029 0.000 2.814 95 V HA -0.156 3.970 4.120 0.010 0.000 0.298 95 V C 0.307 176.384 176.094 -0.027 0.000 1.195 95 V CA 0.623 62.927 62.300 0.007 0.000 1.323 95 V CB -0.737 31.102 31.823 0.028 0.000 0.842 95 V HN 0.942 nan 8.190 nan 0.000 0.494 96 D N 3.731 124.105 120.400 -0.044 0.000 2.744 96 D HA 0.791 5.437 4.640 0.010 0.000 0.304 96 D C -0.638 175.624 176.300 -0.063 0.000 1.179 96 D CA -0.469 53.504 54.000 -0.045 0.000 1.024 96 D CB 2.100 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 -5.823 114.058 119.914 -0.055 0.000 3.120 97 V HA 0.630 4.756 4.120 0.010 0.000 0.303 97 V C -3.043 173.014 176.094 -0.063 0.000 1.238 97 V CA -2.237 60.025 62.300 -0.063 0.000 1.008 97 V CB 1.567 33.349 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 -0.676 176.558 177.300 -0.111 0.000 1.173 98 P CA 0.535 63.586 63.100 -0.082 0.000 0.760 98 P CB 0.581 32.237 31.700 -0.074 0.000 0.783 99 V N 2.880 122.700 119.914 -0.156 0.000 3.049 99 V HA 0.901 5.027 4.120 0.010 0.000 0.309 99 V C 0.258 176.063 176.094 -0.482 0.000 1.148 99 V CA 0.270 62.414 62.300 -0.259 0.000 0.990 99 V CB 2.187 33.910 31.823 -0.167 0.000 1.039 99 V HN 0.903 nan 8.190 nan 0.000 0.430 100 G N 2.285 110.536 108.800 -0.915 0.000 2.362 100 G HA2 0.014 3.980 3.960 0.010 0.000 0.656 100 G HA3 0.014 3.980 3.960 0.010 0.000 0.656 100 G C -0.017 174.391 174.900 -0.820 0.000 1.376 100 G CA -0.189 44.096 45.100 -1.357 0.000 0.971 100 G HN 0.620 nan 8.290 nan 0.000 0.636 101 E N 0.213 120.040 120.200 -0.623 0.000 2.333 101 E HA -0.177 4.179 4.350 0.010 0.000 0.200 101 E C 1.776 178.344 176.600 -0.052 0.000 1.010 101 E CA 1.400 57.716 56.400 -0.139 0.000 0.841 101 E CB 0.067 29.772 29.700 0.008 0.000 0.757 101 E HN 0.679 nan 8.360 nan 0.000 0.508 102 E N 0.365 120.501 120.200 -0.106 0.000 2.463 102 E HA -0.059 4.297 4.350 0.010 0.000 0.191 102 E C 1.343 177.921 176.600 -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 0.387 121.588 121.223 -0.036 0.000 2.408 103 L HA 0.166 4.512 4.340 0.010 0.000 0.215 103 L C 1.089 177.979 176.870 0.034 0.000 1.081 103 L CA 0.245 55.078 54.840 -0.011 0.000 0.840 103 L CB -0.153 41.891 42.059 -0.025 0.000 1.002 103 L HN 0.092 nan 8.230 nan 0.000 0.468 104 L N 0.516 121.783 121.223 0.074 0.000 2.593 104 L HA 0.042 4.388 4.340 0.010 0.000 0.287 104 L C 1.523 178.424 176.870 0.051 0.000 1.243 104 L CA 1.014 55.913 54.840 0.098 0.000 0.890 104 L CB -0.397 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 1.808 110.622 108.800 0.024 0.000 2.184 105 G HA2 -0.241 3.725 3.960 0.010 0.000 0.264 105 G HA3 -0.241 3.725 3.960 0.010 0.000 0.264 105 G C 0.327 175.225 174.900 -0.003 0.000 0.975 105 G CA -0.181 44.916 45.100 -0.005 0.000 0.642 105 G HN 0.467 nan 8.290 nan 0.000 0.536 106 R N -0.472 120.032 120.500 0.007 0.000 2.598 106 R HA 0.680 5.026 4.340 0.010 0.000 0.279 106 R C -0.147 176.156 176.300 0.005 0.000 0.984 106 R CA -0.964 55.137 56.100 0.002 0.000 0.999 106 R CB 1.556 31.856 30.300 -0.000 0.000 1.114 106 R HN 0.210 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 0.271 4.396 4.120 0.010 0.000 0.278 107 V C 0.130 176.228 176.094 0.007 0.000 1.018 107 V CA -0.727 61.579 62.300 0.010 0.000 0.814 107 V CB 1.204 33.033 31.823 0.010 0.000 1.021 107 V HN 0.557 nan 8.190 nan 0.000 0.440 108 V N 1.601 121.519 119.914 0.007 0.000 2.975 108 V HA 0.819 4.945 4.120 0.010 0.000 0.318 108 V C -0.014 176.080 176.094 -0.000 0.000 1.077 108 V CA -0.762 61.537 62.300 -0.002 0.000 1.000 108 V CB 2.042 33.858 31.823 -0.011 0.000 1.066 108 V HN 0.729 nan 8.190 nan 0.000 0.452 109 D N 1.929 122.325 120.400 -0.006 0.000 2.478 109 D HA 0.454 5.100 4.640 0.010 0.000 0.274 109 D C 1.061 177.347 176.300 -0.025 0.000 1.234 109 D CA 0.000 53.996 54.000 -0.006 0.000 1.069 109 D CB 0.864 41.664 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 4.380 4.320 0.010 0.000 0.212 110 A C 2.031 179.546 177.584 -0.115 0.000 1.158 110 A CA 0.534 52.533 52.037 -0.064 0.000 0.742 110 A CB -0.760 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 -2.307 118.852 121.223 -0.107 0.000 2.616 111 L HA 0.270 4.616 4.340 0.010 0.000 0.229 111 L C 1.693 178.510 176.870 -0.089 0.000 1.110 111 L CA 0.653 55.412 54.840 -0.135 0.000 0.884 111 L CB 0.334 42.318 42.059 -0.125 0.000 1.115 111 L HN 0.530 nan 8.230 nan 0.000 0.481 112 G N -0.519 108.244 108.800 -0.062 0.000 2.213 112 G HA2 -0.235 3.731 3.960 0.010 0.000 0.226 112 G HA3 -0.235 3.731 3.960 0.010 0.000 0.226 112 G C 0.131 175.009 174.900 -0.036 0.000 0.992 112 G CA -0.440 44.631 45.100 -0.049 0.000 0.632 112 G HN 0.293 nan 8.290 nan 0.000 0.511 113 N N 1.594 120.276 118.700 -0.030 0.000 2.458 113 N HA 0.471 5.217 4.740 0.010 0.000 0.258 113 N C 0.642 176.145 175.510 -0.011 0.000 1.219 113 N CA 0.842 53.881 53.050 -0.017 0.000 0.902 113 N CB 1.102 39.584 38.487 -0.009 0.000 1.076 113 N HN 0.817 nan 8.380 nan 0.000 0.455 114 A N 1.925 124.740 122.820 -0.009 0.000 2.425 114 A HA 0.335 4.661 4.320 0.010 0.000 0.249 114 A C 1.289 178.873 177.584 0.000 0.000 1.084 114 A CA -0.376 51.658 52.037 -0.005 0.000 0.781 114 A CB -0.235 18.761 19.000 -0.006 0.000 1.019 114 A HN 0.829 nan 8.150 nan 0.000 0.490 115 I N -1.268 119.304 120.570 0.003 0.000 4.225 115 I HA 0.248 4.424 4.170 0.010 0.000 0.327 115 I C 0.083 176.204 176.117 0.005 0.000 1.422 115 I CA -0.024 61.280 61.300 0.006 0.000 1.150 115 I CB 0.441 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 1.299 121.700 120.400 0.002 0.000 2.340 116 D HA 0.131 4.777 4.640 0.010 0.000 0.220 116 D C 1.737 178.036 176.300 -0.001 0.000 1.039 116 D CA 0.610 54.610 54.000 -0.000 0.000 0.866 116 D CB -0.113 40.685 40.800 -0.003 0.000 0.913 116 D HN 0.430 nan 8.370 nan 0.000 0.523 117 G N 0.938 109.738 108.800 0.001 0.000 2.212 117 G HA2 -0.399 3.567 3.960 0.010 0.000 0.267 117 G HA3 -0.399 3.567 3.960 0.010 0.000 0.267 117 G C 0.636 175.536 174.900 -0.001 0.000 1.002 117 G CA 0.461 45.561 45.100 0.001 0.000 0.729 117 G HN 0.458 nan 8.290 nan 0.000 0.517 118 K N 0.550 120.948 120.400 -0.003 0.000 2.862 118 K HA 0.442 4.768 4.320 0.010 0.000 0.229 118 K C 1.231 177.829 176.600 -0.004 0.000 1.107 118 K CA 0.345 56.629 56.287 -0.004 0.000 1.222 118 K CB -0.185 32.312 32.500 -0.005 0.000 1.067 118 K HN 1.357 nan 8.250 nan 0.000 0.464 119 G N 2.814 111.612 108.800 -0.003 0.000 2.716 119 G HA2 -0.173 3.793 3.960 0.010 0.000 0.686 119 G HA3 -0.173 3.793 3.960 0.010 0.000 0.686 119 G C -2.641 172.255 174.900 -0.006 0.000 1.337 119 G CA -1.314 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 0.186 nan 4.420 nan 0.000 0.266 120 P C 0.576 177.867 177.300 -0.014 0.000 1.186 120 P CA -0.000 63.094 63.100 -0.010 0.000 0.767 120 P CB 0.320 32.014 31.700 -0.009 0.000 0.820 121 I N 1.583 122.141 120.570 -0.019 0.000 2.396 121 I HA 0.125 4.301 4.170 0.010 0.000 0.289 121 I C 1.467 177.566 176.117 -0.031 0.000 1.056 121 I CA 0.023 61.307 61.300 -0.026 0.000 1.365 121 I CB 0.111 38.090 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 3.209 122 G HA2 0.181 4.147 3.960 0.010 0.000 0.274 122 G HA3 0.181 4.147 3.960 0.010 0.000 0.274 122 G C 0.237 175.110 174.900 -0.046 0.000 0.850 122 G CA -0.124 44.957 45.100 -0.031 0.000 1.907 122 G HN 0.566 nan 8.290 nan 0.000 0.591 123 S N 0.427 116.095 115.700 -0.054 0.000 2.525 123 S HA 0.337 4.813 4.470 0.010 0.000 0.278 123 S C 1.257 175.820 174.600 -0.062 0.000 1.234 123 S CA -0.655 57.500 58.200 -0.075 0.000 1.058 123 S CB 1.287 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 2.244 122.603 120.400 -0.069 0.000 2.141 124 K HA 0.290 4.616 4.320 0.010 0.000 0.202 124 K C 0.763 177.336 176.600 -0.046 0.000 1.045 124 K CA 0.416 56.675 56.287 -0.046 0.000 0.971 124 K CB -0.004 32.476 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 4.796 4.320 0.010 0.000 0.286 125 A C -0.385 177.162 177.584 -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 -0.558 119.917 120.500 -0.040 0.000 2.837 126 R HA 0.725 5.071 4.340 0.010 0.000 0.271 126 R C -0.823 175.461 176.300 -0.027 0.000 0.993 126 R CA -0.796 55.280 56.100 -0.040 0.000 0.931 126 R CB 2.439 32.719 30.300 -0.033 0.000 1.206 126 R HN 0.838 nan 8.270 nan 0.000 0.474 127 R N 0.956 121.439 120.500 -0.028 0.000 2.566 127 R HA 0.292 4.638 4.340 0.010 0.000 0.271 127 R C -1.143 175.146 176.300 -0.018 0.000 1.071 127 R CA -0.704 55.387 56.100 -0.015 0.000 0.915 127 R CB 1.568 31.864 30.300 -0.007 0.000 1.228 127 R HN 0.536 nan 8.270 nan 0.000 0.449 128 R N 1.968 122.460 120.500 -0.013 0.000 2.590 128 R HA 0.048 4.394 4.340 0.010 0.000 0.274 128 R C 1.412 177.701 176.300 -0.018 0.000 1.061 128 R CA 0.252 56.341 56.100 -0.018 0.000 1.081 128 R CB 0.802 31.093 30.300 -0.015 0.000 0.984 128 R HN 0.593 nan 8.270 nan 0.000 0.448 129 V N 0.308 120.202 119.914 -0.032 0.000 2.591 129 V HA 0.043 4.169 4.120 0.010 0.000 0.249 129 V C 1.364 177.432 176.094 -0.044 0.000 1.053 129 V CA 1.726 64.013 62.300 -0.021 0.000 1.068 129 V CB -0.335 31.463 31.823 -0.041 0.000 0.689 129 V HN 0.879 nan 8.190 nan 0.000 0.462 130 G N 0.500 109.247 108.800 -0.089 0.000 3.314 130 G HA2 0.349 4.315 3.960 0.010 0.000 0.238 130 G HA3 0.349 4.315 3.960 0.010 0.000 0.238 130 G C 0.410 175.270 174.900 -0.066 0.000 1.184 130 G CA -0.451 44.572 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 4.544 4.340 0.010 0.000 0.275 131 L C 0.878 177.747 176.870 -0.003 0.000 1.220 131 L CA -0.284 54.551 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 1.899 122.304 120.400 0.007 0.000 2.270 132 K HA 0.451 4.777 4.320 0.010 0.000 0.276 132 K C -0.187 176.421 176.600 0.013 0.000 1.023 132 K CA -0.412 55.886 56.287 0.018 0.000 0.955 132 K CB 1.136 33.652 32.500 0.027 0.000 0.975 132 K HN 0.627 nan 8.250 nan 0.000 0.471 133 A N 4.909 127.739 122.820 0.016 0.000 2.466 133 A HA 0.264 4.590 4.320 0.010 0.000 0.238 133 A C -2.109 175.469 177.584 -0.011 0.000 1.074 133 A CA -1.112 50.928 52.037 0.006 0.000 0.774 133 A CB -0.603 18.402 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 0.720 177.979 177.300 -0.068 0.000 1.195 134 P CA 0.534 63.591 63.100 -0.072 0.000 0.768 134 P CB 0.302 31.936 31.700 -0.110 0.000 0.838 135 G N 1.501 110.251 108.800 -0.082 0.000 2.479 135 G HA2 0.084 4.050 3.960 0.010 0.000 0.275 135 G HA3 0.084 4.050 3.960 0.010 0.000 0.275 135 G C 1.095 175.950 174.900 -0.074 0.000 1.421 135 G CA -0.534 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 -0.294 120.244 120.570 -0.052 0.000 2.233 136 I HA -0.092 4.084 4.170 0.010 0.000 0.243 136 I C 2.573 178.653 176.117 -0.062 0.000 1.093 136 I CA 0.387 61.661 61.300 -0.043 0.000 1.380 136 I CB -0.106 37.882 38.000 -0.020 0.000 1.067 136 I HN 0.243 nan 8.210 nan 0.000 0.413 137 I N 1.360 121.888 120.570 -0.070 0.000 2.127 137 I HA -0.178 3.998 4.170 0.010 0.000 0.241 137 I C -0.113 175.919 176.117 -0.141 0.000 1.075 137 I CA 1.950 63.212 61.300 -0.064 0.000 1.334 137 I CB -2.750 35.238 38.000 -0.019 0.000 1.040 137 I HN 0.182 nan 8.210 nan 0.000 0.405 138 P HA -0.093 nan 4.420 nan 0.000 0.225 138 P C 0.513 177.615 177.300 -0.331 0.000 1.148 138 P CA 1.034 63.686 63.100 -0.747 0.000 0.779 138 P CB 0.006 30.994 31.700 -1.186 0.000 0.780 139 R N -0.500 119.901 120.500 -0.166 0.000 2.549 139 R HA 0.640 4.986 4.340 0.010 0.000 0.259 139 R C -0.145 176.145 176.300 -0.017 0.000 1.095 139 R CA -0.750 55.308 56.100 -0.071 0.000 1.148 139 R CB 0.517 30.784 30.300 -0.054 0.000 1.181 139 R HN -0.052 nan 8.270 nan 0.000 0.571 140 I N -1.235 119.337 120.570 0.005 0.000 2.841 140 I HA 0.151 4.327 4.170 0.010 0.000 0.298 140 I C -0.825 175.301 176.117 0.015 0.000 1.304 140 I CA -0.138 61.173 61.300 0.019 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 4.363 120.071 115.700 0.014 0.000 2.626 141 S HA 0.182 4.658 4.470 0.010 0.000 0.303 141 S C -0.053 174.553 174.600 0.009 0.000 1.256 141 S CA 0.009 58.215 58.200 0.010 0.000 1.069 141 S CB -0.107 63.099 63.200 0.010 0.000 0.807 141 S HN 0.827 nan 8.310 nan 0.000 0.500 142 V N 4.632 124.548 119.914 0.004 0.000 2.617 142 V HA 0.225 4.351 4.120 0.010 0.000 0.304 142 V C 1.043 177.132 176.094 -0.008 0.000 1.040 142 V CA 0.180 62.478 62.300 -0.004 0.000 1.149 142 V CB 0.230 32.046 31.823 -0.012 0.000 0.914 142 V HN 0.996 nan 8.190 nan 0.000 0.487 143 R N 1.570 122.062 120.500 -0.015 0.000 2.555 143 R HA 0.390 4.736 4.340 0.010 0.000 0.312 143 R C -0.063 176.217 176.300 -0.034 0.000 0.938 143 R CA -0.297 55.793 56.100 -0.015 0.000 1.112 143 R CB 0.435 30.733 30.300 -0.003 0.000 1.535 143 R HN 0.751 nan 8.270 nan 0.000 0.525 144 E N 3.615 123.778 120.200 -0.062 0.000 2.175 144 E HA 0.350 4.706 4.350 0.010 0.000 0.278 144 E C -2.523 174.006 176.600 -0.118 0.000 0.969 144 E CA -2.456 53.882 56.400 -0.104 0.000 0.796 144 E CB 1.794 31.385 29.700 -0.182 0.000 1.104 144 E HN -0.032 nan 8.360 nan 0.000 0.395 145 P HA -0.020 nan 4.420 nan 0.000 0.269 145 P C -0.622 176.579 177.300 -0.165 0.000 1.209 145 P CA -0.023 63.016 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 3.023 122.539 119.600 -0.140 0.000 2.182 146 M HA 0.128 4.614 4.480 0.010 0.000 0.285 146 M C -0.448 175.779 176.300 -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 -0.131 0.000 1.373 146 M HN 0.320 nan 8.290 nan 0.000 0.393 147 Q N 1.664 121.387 119.800 -0.128 0.000 2.330 147 Q HA 0.122 4.468 4.340 0.010 0.000 0.279 147 Q C 1.032 177.034 176.000 0.005 0.000 1.024 147 Q CA 0.522 56.314 55.803 -0.018 0.000 0.900 147 Q CB 0.557 29.352 28.738 0.094 0.000 1.221 147 Q HN 0.698 nan 8.270 nan 0.000 0.396 148 T N -1.918 112.650 114.554 0.024 0.000 3.034 148 T HA 0.235 4.591 4.350 0.010 0.000 0.248 148 T C 1.244 175.974 174.700 0.049 0.000 1.040 148 T CA 0.448 62.565 62.100 0.028 0.000 1.107 148 T CB 0.242 69.121 68.868 0.018 0.000 0.932 148 T HN 0.835 nan 8.240 nan 0.000 0.474 149 G N 1.674 110.506 108.800 0.054 0.000 2.195 149 G HA2 -0.179 3.787 3.960 0.010 0.000 0.246 149 G HA3 -0.179 3.787 3.960 0.010 0.000 0.246 149 G C 0.027 174.947 174.900 0.033 0.000 0.984 149 G CA -0.061 45.069 45.100 0.051 0.000 0.633 149 G HN 0.634 nan 8.290 nan 0.000 0.525 150 I N 1.843 122.430 120.570 0.029 0.000 2.297 150 I HA 0.219 4.395 4.170 0.010 0.000 0.291 150 I C 1.688 177.821 176.117 0.026 0.000 1.033 150 I CA -0.756 60.557 61.300 0.023 0.000 1.253 150 I CB 1.192 39.203 38.000 0.019 0.000 1.396 150 I HN 0.051 nan 8.210 nan 0.000 0.476 151 K N 4.780 125.196 120.400 0.026 0.000 2.059 151 K HA -0.258 4.068 4.320 0.010 0.000 0.212 151 K C 2.043 178.660 176.600 0.028 0.000 1.050 151 K CA 1.816 58.120 56.287 0.028 0.000 0.927 151 K CB -0.331 32.186 32.500 0.028 0.000 0.714 151 K HN 0.770 nan 8.250 nan 0.000 0.447 152 A N 1.462 124.299 122.820 0.029 0.000 1.883 152 A HA -0.131 4.195 4.320 0.010 0.000 0.217 152 A C 2.541 180.146 177.584 0.034 0.000 1.186 152 A CA 1.767 53.824 52.037 0.033 0.000 0.624 152 A CB -0.768 18.257 19.000 0.041 0.000 0.822 152 A HN 0.106 nan 8.150 nan 0.000 0.444 153 V N 0.721 120.654 119.914 0.031 0.000 2.244 153 V HA -0.206 3.920 4.120 0.010 0.000 0.244 153 V C 1.965 178.073 176.094 0.023 0.000 1.042 153 V CA 2.144 64.461 62.300 0.027 0.000 1.006 153 V CB -0.875 30.962 31.823 0.022 0.000 0.641 153 V HN 0.504 nan 8.190 nan 0.000 0.446 154 D N 0.450 120.863 120.400 0.023 0.000 2.350 154 D HA -0.083 4.563 4.640 0.010 0.000 0.216 154 D C 2.259 178.574 176.300 0.024 0.000 0.968 154 D CA 1.556 55.569 54.000 0.022 0.000 0.894 154 D CB 0.037 40.853 40.800 0.027 0.000 0.909 154 D HN 0.642 nan 8.370 nan 0.000 0.520 155 S N -0.524 115.191 115.700 0.026 0.000 2.460 155 S HA 0.090 4.566 4.470 0.010 0.000 0.226 155 S C 1.927 176.541 174.600 0.025 0.000 1.057 155 S CA -0.086 58.129 58.200 0.026 0.000 0.948 155 S CB -0.062 63.154 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 4.769 4.340 0.010 0.000 0.230 156 L C -0.147 176.742 176.870 0.032 0.000 1.087 156 L CA 0.073 54.932 54.840 0.031 0.000 0.874 156 L CB 0.889 42.971 42.059 0.037 0.000 1.114 156 L HN 0.141 nan 8.230 nan 0.000 0.488 157 V N 0.269 120.201 119.914 0.029 0.000 2.575 157 V HA 0.242 4.368 4.120 0.010 0.000 0.281 157 V C -2.454 173.648 176.094 0.014 0.000 1.087 157 V CA -1.196 61.119 62.300 0.025 0.000 1.193 157 V CB 0.307 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 0.052 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 0.618 63.719 63.100 0.002 0.000 0.762 158 P CB 0.337 32.038 31.700 0.003 0.000 0.764 159 I N 3.016 123.577 120.570 -0.016 0.000 2.385 159 I HA 0.421 4.597 4.170 0.010 0.000 0.294 159 I C 1.247 177.340 176.117 -0.039 0.000 0.988 159 I CA -0.523 60.762 61.300 -0.025 0.000 1.265 159 I CB 0.770 38.751 38.000 -0.031 0.000 1.388 159 I HN 0.305 nan 8.210 nan 0.000 0.480 160 G N 5.529 114.306 108.800 -0.038 0.000 2.461 160 G HA2 0.527 4.493 3.960 0.010 0.000 0.329 160 G HA3 0.527 4.493 3.960 0.010 0.000 0.329 160 G C -0.294 174.568 174.900 -0.063 0.000 1.170 160 G CA -0.876 44.193 45.100 -0.050 0.000 0.935 160 G HN 0.517 nan 8.290 nan 0.000 0.492 161 R N -0.016 120.430 120.500 -0.090 0.000 2.316 161 R HA 0.430 4.776 4.340 0.010 0.000 0.314 161 R C 0.962 177.243 176.300 -0.031 0.000 1.069 161 R CA 0.882 56.925 56.100 -0.095 0.000 0.959 161 R CB 0.874 31.052 30.300 -0.204 0.000 0.987 161 R HN 1.064 nan 8.270 nan 0.000 0.446 162 G N 1.933 110.730 108.800 -0.005 0.000 2.168 162 G HA2 -0.261 3.705 3.960 0.010 0.000 0.197 162 G HA3 -0.261 3.705 3.960 0.010 0.000 0.197 162 G C 0.038 174.942 174.900 0.007 0.000 0.997 162 G CA -0.122 44.989 45.100 0.018 0.000 0.658 162 G HN 0.582 nan 8.290 nan 0.000 0.513 163 Q N -0.208 119.588 119.800 -0.005 0.000 2.212 163 Q HA 0.759 5.105 4.340 0.010 0.000 0.238 163 Q C -0.193 175.805 176.000 -0.003 0.000 0.955 163 Q CA -0.755 55.044 55.803 -0.006 0.000 0.906 163 Q CB 0.602 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 1.897 122.394 120.500 -0.004 0.000 2.337 164 R HA 0.309 4.655 4.340 0.010 0.000 0.319 164 R C -1.534 174.755 176.300 -0.018 0.000 0.954 164 R CA -0.486 55.612 56.100 -0.004 0.000 0.840 164 R CB 1.588 31.885 30.300 -0.005 0.000 1.164 164 R HN 0.548 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 4.707 4.350 0.010 0.000 0.265 165 E C -1.485 175.084 176.600 -0.051 0.000 0.882 165 E CA -0.916 55.461 56.400 -0.038 0.000 0.759 165 E CB 1.132 30.814 29.700 -0.031 0.000 1.148 165 E HN 0.395 nan 8.360 nan 0.000 0.412 166 L N 5.294 126.467 121.223 -0.082 0.000 2.312 166 L HA 0.475 4.821 4.340 0.010 0.000 0.281 166 L C -1.096 175.706 176.870 -0.113 0.000 1.070 166 L CA -0.428 54.351 54.840 -0.103 0.000 0.805 166 L CB 0.730 42.707 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 4.554 4.170 0.010 0.000 0.290 167 I C -0.219 175.853 176.117 -0.075 0.000 1.008 167 I CA -0.157 61.105 61.300 -0.065 0.000 1.226 167 I CB 0.813 38.798 38.000 -0.025 0.000 1.371 167 I HN 0.634 nan 8.210 nan 0.000 0.468 168 I N 4.820 125.334 120.570 -0.092 0.000 2.582 168 I HA 0.851 5.027 4.170 0.010 0.000 0.292 168 I C -0.297 175.833 176.117 0.022 0.000 1.066 168 I CA 0.039 61.300 61.300 -0.064 0.000 1.053 168 I CB 2.191 40.105 38.000 -0.144 0.000 1.241 168 I HN 0.707 nan 8.210 nan 0.000 0.421 169 G N 5.187 114.009 108.800 0.036 0.000 2.349 169 G HA2 0.213 4.179 3.960 0.010 0.000 0.294 169 G HA3 0.213 4.179 3.960 0.010 0.000 0.294 169 G C -1.887 173.027 174.900 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 -0.047 120.360 120.400 0.011 0.000 2.414 170 D HA 0.326 4.972 4.640 0.010 0.000 0.259 170 D C 1.083 177.368 176.300 -0.025 0.000 1.269 170 D CA -0.210 53.792 54.000 0.003 0.000 1.028 170 D CB 0.442 41.244 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 0.022 4.368 4.340 0.010 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 0.163 30.466 30.300 0.005 0.000 0.989 171 R HN 0.224 nan 8.270 nan 0.000 0.447 172 Q N 0.038 119.791 119.800 -0.079 0.000 2.475 172 Q HA -0.148 4.198 4.340 0.010 0.000 0.280 172 Q C -0.007 175.740 176.000 -0.421 0.000 1.234 172 Q CA 1.711 57.425 55.803 -0.149 0.000 0.873 172 Q CB -1.625 27.076 28.738 -0.061 0.000 1.256 172 Q HN 0.991 nan 8.270 nan 0.000 0.475 173 T N -4.497 109.803 114.554 -0.423 0.000 3.069 173 T HA 0.426 4.782 4.350 0.010 0.000 0.252 173 T C 1.087 175.428 174.700 -0.597 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 1.851 110.470 108.800 -0.303 0.000 2.207 174 G HA2 -0.230 3.736 3.960 0.010 0.000 0.216 174 G HA3 -0.230 3.736 3.960 0.010 0.000 0.216 174 G C 0.540 175.437 174.900 -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 -0.547 119.839 120.400 -0.023 0.000 1.980 175 K HA 0.001 4.327 4.320 0.010 0.000 0.208 175 K C 2.674 179.291 176.600 0.030 0.000 1.043 175 K CA 1.789 58.079 56.287 0.005 0.000 0.938 175 K CB -0.419 32.081 32.500 -0.002 0.000 0.724 175 K HN 0.250 nan 8.250 nan 0.000 0.438 176 T N 1.305 115.888 114.554 0.048 0.000 2.685 176 T HA -0.182 4.173 4.350 0.010 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 68.536 68.868 0.102 0.000 0.860 176 T HN 0.145 nan 8.240 nan 0.000 0.449 177 S N 0.795 116.504 115.700 0.015 0.000 2.423 177 S HA -0.057 4.419 4.470 0.010 0.000 0.238 177 S C 1.936 176.522 174.600 -0.023 0.000 1.028 177 S CA 0.877 59.059 58.200 -0.030 0.000 1.000 177 S CB -0.451 62.722 63.200 -0.045 0.000 0.797 177 S HN 0.468 nan 8.310 nan 0.000 0.487 178 I N 0.998 121.572 120.570 0.008 0.000 2.406 178 I HA -0.127 4.049 4.170 0.010 0.000 0.249 178 I C 2.635 178.765 176.117 0.021 0.000 1.122 178 I CA 0.798 62.105 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 0.272 nan 8.210 nan 0.000 0.424 179 A N 1.667 124.512 122.820 0.043 0.000 1.865 179 A HA -0.196 4.130 4.320 0.010 0.000 0.217 179 A C 2.170 179.782 177.584 0.047 0.000 1.191 179 A CA 1.469 53.548 52.037 0.069 0.000 0.623 179 A CB -0.580 18.514 19.000 0.156 0.000 0.826 179 A HN 0.245 nan 8.150 nan 0.000 0.444 180 I N 0.717 121.296 120.570 0.014 0.000 2.058 180 I HA -0.240 3.936 4.170 0.010 0.000 0.235 180 I C 1.967 178.102 176.117 0.029 0.000 1.053 180 I CA 1.928 63.226 61.300 -0.003 0.000 1.313 180 I CB -2.002 35.993 38.000 -0.008 0.000 1.039 180 I HN 0.271 nan 8.210 nan 0.000 0.396 181 D N 0.720 121.123 120.400 0.005 0.000 2.191 181 D HA -0.182 4.464 4.640 0.010 0.000 0.195 181 D C 2.169 178.498 176.300 0.049 0.000 1.003 181 D CA 1.878 55.891 54.000 0.022 0.000 0.867 181 D CB -0.438 40.354 40.800 -0.015 0.000 0.926 181 D HN 0.341 nan 8.370 nan 0.000 0.450 182 T N 0.410 114.989 114.554 0.041 0.000 2.708 182 T HA -0.082 4.274 4.350 0.010 0.000 0.266 182 T C 2.180 176.925 174.700 0.075 0.000 1.037 182 T CA 0.668 62.797 62.100 0.048 0.000 1.146 182 T CB -0.235 68.651 68.868 0.030 0.000 0.865 182 T HN 0.185 nan 8.240 nan 0.000 0.435 183 I N 0.530 121.152 120.570 0.088 0.000 2.127 183 I HA -0.154 4.022 4.170 0.010 0.000 0.241 183 I C 2.336 178.600 176.117 0.245 0.000 1.075 183 I CA 1.408 62.799 61.300 0.153 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 0.901 121.575 120.570 0.173 0.000 2.208 184 I HA -0.342 3.834 4.170 0.010 0.000 0.245 184 I C 2.231 178.460 176.117 0.188 0.000 1.097 184 I CA 1.755 63.169 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 0.253 119.037 118.700 0.141 0.000 2.443 185 N HA -0.230 4.516 4.740 0.010 0.000 0.184 185 N C 1.791 177.415 175.510 0.191 0.000 1.037 185 N CA 0.885 54.014 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 0.160 nan 8.380 nan 0.000 0.442 186 Q N 0.630 120.521 119.800 0.150 0.000 2.230 186 Q HA -0.023 4.323 4.340 0.010 0.000 0.202 186 Q C 1.640 177.583 176.000 -0.094 0.000 0.963 186 Q CA 0.874 56.709 55.803 0.053 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 4.106 4.320 0.010 0.000 0.206 187 K C 1.857 178.401 176.600 -0.094 0.000 1.047 187 K CA 1.448 57.711 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 0.194 nan 8.250 nan 0.000 0.450 188 R N -0.139 120.260 120.500 -0.169 0.000 2.200 188 R HA -0.156 4.190 4.340 0.010 0.000 0.234 188 R C 1.100 177.096 176.300 -0.506 0.000 1.127 188 R CA 1.629 57.493 56.100 -0.393 0.000 0.989 188 R CB -0.244 29.729 30.300 -0.545 0.000 0.869 188 R HN 0.199 nan 8.270 nan 0.000 0.459 189 F N 0.276 120.128 119.950 -0.163 0.000 2.602 189 F HA 0.302 4.835 4.527 0.010 0.000 0.284 189 F C 1.819 177.500 175.800 -0.198 0.000 1.111 189 F CA -0.383 57.520 58.000 -0.161 0.000 1.405 189 F CB -0.421 38.476 39.000 -0.172 0.000 1.121 189 F HN -0.107 nan 8.300 nan 0.000 0.603 190 N N 0.517 119.167 118.700 -0.084 0.000 2.309 190 N HA -0.133 4.613 4.740 0.010 0.000 0.182 190 N C 0.677 176.140 175.510 -0.079 0.000 1.018 190 N CA 1.236 54.163 53.050 -0.206 0.000 0.876 190 N CB -0.319 37.873 38.487 -0.492 0.000 0.972 190 N HN 0.221 nan 8.380 nan 0.000 0.434 191 D N 0.054 120.422 120.400 -0.054 0.000 2.328 191 D HA 0.116 4.762 4.640 0.010 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 -0.069 40.722 40.800 -0.015 0.000 0.912 191 D HN 0.141 nan 8.370 nan 0.000 0.521 192 G N -0.742 108.042 108.800 -0.027 0.000 2.537 192 G HA2 0.289 4.255 3.960 0.010 0.000 0.297 192 G HA3 0.289 4.255 3.960 0.010 0.000 0.297 192 G C 1.065 175.967 174.900 0.003 0.000 1.310 192 G CA -0.169 44.920 45.100 -0.017 0.000 1.027 192 G HN 0.019 nan 8.290 nan 0.000 0.505 193 T N -0.360 114.199 114.554 0.008 0.000 2.781 193 T HA -0.003 4.353 4.350 0.010 0.000 0.252 193 T C 0.851 175.567 174.700 0.028 0.000 1.039 193 T CA 0.832 62.942 62.100 0.016 0.000 1.147 193 T CB -0.250 68.625 68.868 0.011 0.000 0.865 193 T HN 0.461 nan 8.240 nan 0.000 0.423 194 D N 2.206 122.625 120.400 0.033 0.000 2.412 194 D HA -0.007 4.639 4.640 0.010 0.000 0.257 194 D C 1.035 177.365 176.300 0.050 0.000 1.217 194 D CA -0.070 53.955 54.000 0.042 0.000 0.897 194 D CB 0.686 41.514 40.800 0.045 0.000 1.132 194 D HN 0.213 nan 8.370 nan 0.000 0.493 195 E N 3.412 123.646 120.200 0.057 0.000 2.347 195 E HA -0.123 4.233 4.350 0.010 0.000 0.196 195 E C 0.999 177.656 176.600 0.094 0.000 1.008 195 E CA 0.620 57.065 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 0.566 121.022 120.400 0.092 0.000 2.444 196 K HA 0.098 4.424 4.320 0.010 0.000 0.193 196 K C 1.559 178.225 176.600 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 -0.108 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 4.448 4.320 0.010 0.000 0.202 197 K C -0.111 176.413 176.600 -0.127 0.000 1.025 197 K CA 0.123 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 0.759 121.110 120.400 -0.083 0.000 2.109 198 K HA 0.385 4.711 4.320 0.010 0.000 0.243 198 K C -0.749 175.683 176.600 -0.280 0.000 1.006 198 K CA -0.802 55.356 56.287 -0.215 0.000 0.917 198 K CB 1.029 33.376 32.500 -0.256 0.000 1.081 198 K HN -0.197 nan 8.250 nan 0.000 0.468 199 L N 2.189 123.135 121.223 -0.463 0.000 2.611 199 L HA 0.270 4.616 4.340 0.010 0.000 0.263 199 L C -1.791 174.803 176.870 -0.459 0.000 0.969 199 L CA -0.303 54.321 54.840 -0.359 0.000 0.894 199 L CB 0.851 42.715 42.059 -0.325 0.000 1.229 199 L HN 0.452 nan 8.230 nan 0.000 0.416 200 Y N 2.864 123.005 120.300 -0.265 0.000 2.335 200 Y HA 0.424 4.980 4.550 0.010 0.000 0.331 200 Y C 0.654 176.445 175.900 -0.182 0.000 1.094 200 Y CA -0.167 57.761 58.100 -0.287 0.000 1.253 200 Y CB 0.715 38.712 38.460 -0.771 0.000 1.203 200 Y HN 0.473 nan 8.280 nan 0.000 0.508 201 C N 4.589 123.956 119.300 0.112 0.000 2.370 201 C HA 0.698 5.164 4.460 0.010 0.000 0.354 201 C C -0.070 174.962 174.990 0.069 0.000 1.218 201 C CA -0.880 58.188 59.018 0.084 0.000 2.154 201 C CB -0.108 27.722 27.740 0.150 0.000 2.391 201 C HN 0.562 nan 8.230 nan 0.000 0.540 202 I N 1.984 122.575 120.570 0.034 0.000 2.498 202 I HA 0.334 4.510 4.170 0.010 0.000 0.290 202 I C -0.723 175.407 176.117 0.021 0.000 1.032 202 I CA -0.350 60.965 61.300 0.025 0.000 1.073 202 I CB 1.008 39.006 38.000 -0.003 0.000 1.251 202 I HN 0.632 nan 8.210 nan 0.000 0.426 203 Y N 6.573 126.827 120.300 -0.077 0.000 2.338 203 Y HA 0.708 5.263 4.550 0.009 0.000 0.328 203 Y C -1.078 174.774 175.900 -0.080 0.000 0.965 203 Y CA -0.920 57.129 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 5.779 125.392 119.914 -0.502 0.000 2.407 204 V HA 0.746 4.872 4.120 0.010 0.000 0.278 204 V C 0.047 175.857 176.094 -0.473 0.000 1.037 204 V CA -0.532 61.560 62.300 -0.347 0.000 0.900 204 V CB 0.952 32.648 31.823 -0.211 0.000 0.983 204 V HN 0.899 nan 8.190 nan 0.000 0.459 205 A N 6.884 129.560 122.820 -0.240 0.000 2.287 205 A HA 0.890 5.216 4.320 0.010 0.000 0.317 205 A C -0.637 176.914 177.584 -0.055 0.000 1.220 205 A CA -0.486 51.468 52.037 -0.139 0.000 0.835 205 A CB 0.439 19.467 19.000 0.048 0.000 1.180 205 A HN 0.798 nan 8.150 nan 0.000 0.500 206 I N 1.812 122.355 120.570 -0.045 0.000 2.466 206 I HA 0.567 4.743 4.170 0.010 0.000 0.289 206 I C 1.162 177.292 176.117 0.022 0.000 1.026 206 I CA -0.232 61.066 61.300 -0.004 0.000 1.078 206 I CB 1.865 39.856 38.000 -0.016 0.000 1.249 206 I HN 0.969 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 3.739 3.960 0.010 0.000 0.270 207 G HA3 -0.227 3.739 3.960 0.010 0.000 0.270 207 G C 0.494 175.423 174.900 0.047 0.000 0.976 207 G CA 0.063 45.193 45.100 0.050 0.000 0.636 207 G HN 0.604 nan 8.290 nan 0.000 0.542 208 Q N 0.019 119.848 119.800 0.048 0.000 2.697 208 Q HA 0.451 4.797 4.340 0.010 0.000 0.196 208 Q C 0.488 176.520 176.000 0.054 0.000 1.121 208 Q CA 0.150 55.988 55.803 0.057 0.000 1.151 208 Q CB 0.367 29.152 28.738 0.078 0.000 1.250 208 Q HN 0.456 nan 8.270 nan 0.000 0.658 209 K N 0.679 121.111 120.400 0.054 0.000 2.156 209 K HA 0.199 4.525 4.320 0.010 0.000 0.271 209 K C 1.308 177.936 176.600 0.048 0.000 0.995 209 K CA -0.359 55.956 56.287 0.046 0.000 0.890 209 K CB 0.970 33.495 32.500 0.043 0.000 1.073 209 K HN 0.368 nan 8.250 nan 0.000 0.454 210 R N 0.867 121.392 120.500 0.041 0.000 2.073 210 R HA -0.146 4.200 4.340 0.010 0.000 0.234 210 R C 1.778 178.098 176.300 0.034 0.000 1.134 210 R CA 1.811 57.935 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 0.629 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 -0.222 4.254 4.470 0.010 0.000 0.235 211 S C 1.999 176.614 174.600 0.026 0.000 1.063 211 S CA 2.290 60.505 58.200 0.024 0.000 1.070 211 S CB -0.815 62.400 63.200 0.024 0.000 0.904 211 S HN 0.408 nan 8.310 nan 0.000 0.456 212 T N 1.918 116.494 114.554 0.036 0.000 2.812 212 T HA 0.031 4.387 4.350 0.010 0.000 0.264 212 T C 1.986 176.708 174.700 0.037 0.000 1.042 212 T CA 1.168 63.291 62.100 0.040 0.000 1.140 212 T CB -0.493 68.409 68.868 0.057 0.000 0.870 212 T HN 0.295 nan 8.240 nan 0.000 0.445 213 V N 1.925 121.870 119.914 0.052 0.000 2.307 213 V HA -0.094 4.032 4.120 0.010 0.000 0.245 213 V C 2.993 179.096 176.094 0.015 0.000 1.045 213 V CA 1.525 63.858 62.300 0.055 0.000 1.024 213 V CB -1.298 30.576 31.823 0.086 0.000 0.651 213 V HN 0.519 nan 8.190 nan 0.000 0.449 214 A N -0.497 122.332 122.820 0.015 0.000 1.940 214 A HA -0.300 4.026 4.320 0.010 0.000 0.219 214 A C 2.161 179.738 177.584 -0.012 0.000 1.176 214 A CA 2.066 54.104 52.037 0.002 0.000 0.631 214 A CB -0.450 18.554 19.000 0.007 0.000 0.814 214 A HN 0.663 nan 8.150 nan 0.000 0.446 215 Q N -0.951 118.843 119.800 -0.009 0.000 2.331 215 Q HA 0.129 4.475 4.340 0.010 0.000 0.203 215 Q C 1.985 177.963 176.000 -0.037 0.000 0.944 215 Q CA 0.363 56.155 55.803 -0.019 0.000 0.892 215 Q CB -0.100 28.635 28.738 -0.005 0.000 0.983 215 Q HN 0.603 nan 8.270 nan 0.000 0.482 216 L N 1.057 122.253 121.223 -0.045 0.000 2.027 216 L HA -0.120 4.226 4.340 0.010 0.000 0.206 216 L C 2.355 179.157 176.870 -0.114 0.000 1.074 216 L CA 1.672 56.455 54.840 -0.095 0.000 0.745 216 L CB -0.539 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 -2.002 117.860 119.914 -0.087 0.000 2.548 217 V HA -0.169 3.957 4.120 0.010 0.000 0.249 217 V C 2.650 178.697 176.094 -0.080 0.000 1.055 217 V CA 1.378 63.627 62.300 -0.085 0.000 1.065 217 V CB -0.668 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 1.348 121.708 120.400 -0.067 0.000 2.032 218 K HA -0.236 4.090 4.320 0.010 0.000 0.209 218 K C 2.393 178.938 176.600 -0.091 0.000 1.048 218 K CA 2.433 58.679 56.287 -0.068 0.000 0.927 218 K CB -0.658 31.808 32.500 -0.058 0.000 0.712 218 K HN 0.537 nan 8.250 nan 0.000 0.441 219 R N 0.815 121.253 120.500 -0.102 0.000 2.081 219 R HA 0.010 4.356 4.340 0.010 0.000 0.235 219 R C 2.409 178.638 176.300 -0.118 0.000 1.131 219 R CA 1.337 57.355 56.100 -0.138 0.000 0.960 219 R CB -0.600 29.627 30.300 -0.123 0.000 0.856 219 R HN 0.253 nan 8.270 nan 0.000 0.436 220 L N -0.726 120.431 121.223 -0.109 0.000 2.056 220 L HA -0.139 4.207 4.340 0.010 0.000 0.207 220 L C 2.215 179.006 176.870 -0.131 0.000 1.078 220 L CA 1.781 56.547 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 -0.572 113.915 114.554 -0.112 0.000 2.643 221 T HA -0.175 4.181 4.350 0.010 0.000 0.264 221 T C 1.361 176.009 174.700 -0.087 0.000 1.045 221 T CA 1.623 63.665 62.100 -0.096 0.000 1.155 221 T CB -0.207 68.615 68.868 -0.075 0.000 0.863 221 T HN 0.319 nan 8.240 nan 0.000 0.420 222 D N 1.266 121.613 120.400 -0.088 0.000 2.309 222 D HA 0.011 4.657 4.640 0.010 0.000 0.212 222 D C 1.643 177.896 176.300 -0.078 0.000 0.968 222 D CA 0.644 54.594 54.000 -0.082 0.000 0.882 222 D CB -0.194 40.548 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 0.082 4.408 4.320 0.010 0.000 0.217 223 A C 0.381 177.940 177.584 -0.042 0.000 1.216 223 A CA 0.111 52.117 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 -2.218 118.138 120.400 -0.073 0.000 2.705 224 D HA -0.182 4.464 4.640 0.010 0.000 0.240 224 D C 0.605 176.824 176.300 -0.136 0.000 1.137 224 D CA 1.010 54.966 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 0.520 nan 8.370 nan 0.000 0.427 225 A N 0.164 122.792 122.820 -0.318 0.000 2.312 225 A HA 0.180 4.506 4.320 0.010 0.000 0.215 225 A C 2.006 179.033 177.584 -0.930 0.000 1.256 225 A CA 0.174 51.699 52.037 -0.852 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 1.256 120.601 119.600 -0.425 0.000 2.213 226 M HA -0.143 4.343 4.480 0.010 0.000 0.263 226 M C 1.977 178.141 176.300 -0.225 0.000 1.062 226 M CA 1.886 57.023 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 0.588 120.855 120.400 -0.222 0.000 2.160 227 K HA -0.193 4.133 4.320 0.010 0.000 0.206 227 K C 0.901 177.519 176.600 0.030 0.000 1.047 227 K CA 1.877 58.130 56.287 -0.057 0.000 0.930 227 K CB -0.845 31.661 32.500 0.011 0.000 0.720 227 K HN 0.514 nan 8.250 nan 0.000 0.450 228 Y N -0.724 119.595 120.300 0.032 0.000 2.720 228 Y HA 0.512 5.068 4.550 0.011 0.000 0.268 228 Y C -0.604 175.323 175.900 0.046 0.000 1.142 228 Y CA -1.122 57.008 58.100 0.050 0.000 1.193 228 Y CB 0.030 38.458 38.460 -0.054 0.000 1.176 228 Y HN -0.214 nan 8.280 nan 0.000 0.542 229 T N 2.043 116.586 114.554 -0.018 0.000 2.893 229 T HA 0.640 4.996 4.350 0.010 0.000 0.291 229 T C -0.453 174.270 174.700 0.039 0.000 1.028 229 T CA -0.497 61.614 62.100 0.018 0.000 0.995 229 T CB 1.861 70.673 68.868 -0.094 0.000 1.051 229 T HN 0.179 nan 8.240 nan 0.000 0.470 230 I N 1.456 122.065 120.570 0.065 0.000 2.750 230 I HA 0.696 4.872 4.170 0.010 0.000 0.308 230 I C -0.814 175.338 176.117 0.058 0.000 1.016 230 I CA -1.141 60.194 61.300 0.059 0.000 1.098 230 I CB 2.054 40.100 38.000 0.076 0.000 1.279 230 I HN 0.203 nan 8.210 nan 0.000 0.454 231 V N 4.608 124.552 119.914 0.050 0.000 2.532 231 V HA 0.263 4.389 4.120 0.010 0.000 0.294 231 V C -0.444 175.681 176.094 0.051 0.000 1.036 231 V CA -0.603 61.746 62.300 0.081 0.000 0.876 231 V CB 1.901 33.779 31.823 0.091 0.000 1.012 231 V HN 0.375 nan 8.190 nan 0.000 0.432 232 V N 3.402 123.333 119.914 0.028 0.000 2.439 232 V HA 0.558 4.684 4.120 0.010 0.000 0.282 232 V C 0.379 176.477 176.094 0.007 0.000 1.039 232 V CA -0.127 62.174 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 3.162 118.871 115.700 0.016 0.000 2.519 233 S HA 0.764 5.240 4.470 0.010 0.000 0.309 233 S C -0.089 174.523 174.600 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 64.719 63.200 0.042 0.000 1.008 233 S HN 1.038 nan 8.310 nan 0.000 0.478 234 A N 3.346 126.178 122.820 0.020 0.000 2.646 234 A HA 0.606 4.932 4.320 0.010 0.000 0.312 234 A C 0.310 177.919 177.584 0.041 0.000 1.245 234 A CA -0.709 51.348 52.037 0.034 0.000 0.755 234 A CB 0.047 19.068 19.000 0.035 0.000 1.132 234 A HN 0.688 nan 8.150 nan 0.000 0.458 235 T N -1.469 113.111 114.554 0.045 0.000 2.849 235 T HA 0.590 4.946 4.350 0.010 0.000 0.276 235 T C 1.586 176.316 174.700 0.049 0.000 0.971 235 T CA 0.058 62.186 62.100 0.047 0.000 0.949 235 T CB 1.085 69.980 68.868 0.046 0.000 1.093 235 T HN 1.227 nan 8.240 nan 0.000 0.545 236 A N 0.158 123.006 122.820 0.047 0.000 2.104 236 A HA -0.101 4.224 4.320 0.010 0.000 0.223 236 A C 2.359 179.970 177.584 0.044 0.000 1.164 236 A CA 2.247 54.312 52.037 0.046 0.000 0.659 236 A CB -1.228 17.797 19.000 0.042 0.000 0.808 236 A HN 0.801 nan 8.150 nan 0.000 0.465 237 S N -0.984 114.742 115.700 0.042 0.000 2.539 237 S HA 0.110 4.586 4.470 0.010 0.000 0.221 237 S C -0.075 174.551 174.600 0.044 0.000 0.987 237 S CA -0.476 57.747 58.200 0.039 0.000 0.929 237 S CB -0.194 63.026 63.200 0.034 0.000 0.832 237 S HN 0.514 nan 8.310 nan 0.000 0.492 238 D N 2.404 122.836 120.400 0.053 0.000 2.304 238 D HA 0.422 5.068 4.640 0.010 0.000 0.247 238 D C 0.267 176.612 176.300 0.077 0.000 1.089 238 D CA 0.042 54.080 54.000 0.064 0.000 0.910 238 D CB 1.512 42.353 40.800 0.068 0.000 1.199 238 D HN 0.367 nan 8.370 nan 0.000 0.426 239 A N 1.447 124.317 122.820 0.083 0.000 2.561 239 A HA 0.240 4.566 4.320 0.010 0.000 0.234 239 A C 1.484 179.141 177.584 0.121 0.000 1.055 239 A CA 0.534 52.623 52.037 0.087 0.000 0.756 239 A CB 0.162 19.211 19.000 0.082 0.000 0.986 239 A HN 0.664 nan 8.150 nan 0.000 0.505 240 A N 3.615 126.501 122.820 0.110 0.000 1.903 240 A HA -0.128 4.198 4.320 0.010 0.000 0.219 240 A C -0.031 177.696 177.584 0.238 0.000 1.191 240 A CA 2.242 54.367 52.037 0.147 0.000 0.638 240 A CB -1.808 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 1.334 178.928 177.300 0.489 0.000 1.148 241 P CA 0.999 64.335 63.100 0.393 0.000 0.828 241 P CB -0.157 31.657 31.700 0.191 0.000 0.783 242 L N -1.159 120.272 121.223 0.346 0.000 2.131 242 L HA -0.119 4.227 4.340 0.010 0.000 0.206 242 L C 2.663 179.630 176.870 0.162 0.000 1.087 242 L CA 1.335 56.321 54.840 0.244 0.000 0.767 242 L CB -1.042 41.121 42.059 0.173 0.000 0.917 242 L HN -0.051 nan 8.230 nan 0.000 0.441 243 Q N -0.869 119.035 119.800 0.173 0.000 2.124 243 Q HA -0.247 4.099 4.340 0.010 0.000 0.202 243 Q C 2.134 178.230 176.000 0.160 0.000 0.977 243 Q CA 1.833 57.716 55.803 0.134 0.000 0.850 243 Q CB -0.365 28.453 28.738 0.133 0.000 0.901 243 Q HN 0.487 nan 8.270 nan 0.000 0.429 244 Y N 1.433 121.820 120.300 0.146 0.000 2.114 244 Y HA -0.254 4.301 4.550 0.008 0.000 0.284 244 Y C 1.954 177.969 175.900 0.192 0.000 1.143 244 Y CA 1.265 59.469 58.100 0.173 0.000 1.135 244 Y CB -0.596 38.008 38.460 0.240 0.000 0.980 244 Y HN 0.072 nan 8.280 nan 0.000 0.499 245 L N 1.064 122.149 121.223 -0.230 0.000 2.017 245 L HA -0.066 4.280 4.340 0.010 0.000 0.208 245 L C 2.655 179.446 176.870 -0.132 0.000 1.073 245 L CA 2.129 56.820 54.840 -0.248 0.000 0.745 245 L CB -1.587 40.410 42.059 -0.104 0.000 0.894 245 L HN 0.378 nan 8.230 nan 0.000 0.432 246 A N 0.487 123.253 122.820 -0.091 0.000 1.916 246 A HA -0.302 4.024 4.320 0.010 0.000 0.224 246 A C 0.029 177.549 177.584 -0.107 0.000 1.366 246 A CA 2.882 54.871 52.037 -0.080 0.000 0.692 246 A CB -2.594 16.379 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 -0.225 0.000 1.149 247 P CA 1.463 64.451 63.100 -0.187 0.000 0.817 247 P CB -0.296 31.107 31.700 -0.495 0.000 0.785 248 Y N 0.374 120.613 120.300 -0.102 0.000 2.200 248 Y HA -0.088 4.467 4.550 0.009 0.000 0.290 248 Y C 2.845 178.709 175.900 -0.061 0.000 1.137 248 Y CA 1.231 59.266 58.100 -0.108 0.000 1.163 248 Y CB -1.431 36.908 38.460 -0.201 0.000 0.988 248 Y HN -0.071 nan 8.280 nan 0.000 0.518 249 S N -0.072 115.658 115.700 0.050 0.000 2.354 249 S HA -0.201 4.275 4.470 0.010 0.000 0.219 249 S C 2.492 177.099 174.600 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 0.287 109.089 108.800 0.004 0.000 2.505 250 G HA2 -0.338 3.628 3.960 0.010 0.000 0.220 250 G HA3 -0.338 3.628 3.960 0.010 0.000 0.220 250 G C 1.780 176.700 174.900 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 0.349 119.703 119.300 0.090 0.000 2.413 251 C HA -0.044 4.422 4.460 0.010 0.000 0.276 251 C C 3.259 178.305 174.990 0.094 0.000 1.236 251 C CA 1.787 60.879 59.018 0.123 0.000 1.735 251 C CB -1.058 26.791 27.740 0.182 0.000 2.031 251 C HN 0.367 nan 8.230 nan 0.000 0.474 252 S N 0.443 116.188 115.700 0.074 0.000 2.383 252 S HA -0.195 4.281 4.470 0.010 0.000 0.229 252 S C 1.749 176.381 174.600 0.053 0.000 1.030 252 S CA 2.170 60.403 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 0.571 120.200 119.600 0.048 0.000 2.117 253 M HA -0.044 4.442 4.480 0.010 0.000 0.262 253 M C 2.506 178.918 176.300 0.185 0.000 1.065 253 M CA 1.559 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 0.070 108.987 108.800 0.195 0.000 2.432 254 G HA2 -0.181 3.785 3.960 0.010 0.000 0.219 254 G HA3 -0.181 3.785 3.960 0.010 0.000 0.219 254 G C 1.369 176.434 174.900 0.274 0.000 1.135 254 G CA 0.636 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 -0.722 119.574 120.200 0.160 0.000 2.150 255 E HA -0.133 4.223 4.350 0.010 0.000 0.193 255 E C 1.916 178.562 176.600 0.077 0.000 0.985 255 E CA 0.679 57.143 56.400 0.107 0.000 0.814 255 E CB -0.214 29.528 29.700 0.070 0.000 0.752 255 E HN 0.634 nan 8.360 nan 0.000 0.466 256 Y N 0.716 120.945 120.300 -0.119 0.000 2.097 256 Y HA -0.312 4.245 4.550 0.011 0.000 0.282 256 Y C 1.710 177.439 175.900 -0.284 0.000 1.152 256 Y CA 1.778 59.712 58.100 -0.277 0.000 1.136 256 Y CB -0.577 37.599 38.460 -0.473 0.000 0.975 256 Y HN -0.063 nan 8.280 nan 0.000 0.498 257 F N 0.562 120.567 119.950 0.091 0.000 2.095 257 F HA -0.194 4.338 4.527 0.009 0.000 0.298 257 F C 2.845 178.573 175.800 -0.121 0.000 1.104 257 F CA 2.053 60.003 58.000 -0.082 0.000 1.232 257 F CB -1.005 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 4.145 4.340 0.010 0.000 0.240 258 R C 1.649 177.935 176.300 -0.023 0.000 1.139 258 R CA 2.157 58.289 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 0.138 120.502 120.400 -0.060 0.000 2.310 259 D HA -0.075 4.571 4.640 0.010 0.000 0.212 259 D C -0.017 176.195 176.300 -0.148 0.000 0.965 259 D CA 0.992 54.943 54.000 -0.082 0.000 0.879 259 D CB -0.132 40.623 40.800 -0.076 0.000 0.921 259 D HN 0.370 nan 8.370 nan 0.000 0.510 260 N N -0.689 117.863 118.700 -0.246 0.000 2.761 260 N HA 0.335 5.081 4.740 0.010 0.000 0.317 260 N C 0.770 176.177 175.510 -0.173 0.000 1.546 260 N CA 0.003 52.900 53.050 -0.254 0.000 1.015 260 N CB 1.179 39.403 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 3.590 3.960 0.010 0.000 0.268 261 G HA3 -0.376 3.590 3.960 0.010 0.000 0.268 261 G C 0.337 175.102 174.900 -0.225 0.000 0.986 261 G CA 0.815 45.829 45.100 -0.143 0.000 0.677 261 G HN 0.381 nan 8.290 nan 0.000 0.532 262 K N -0.656 119.633 120.400 -0.185 0.000 2.419 262 K HA 0.598 4.924 4.320 0.010 0.000 0.246 262 K C -0.425 176.023 176.600 -0.254 0.000 1.037 262 K CA -0.848 55.371 56.287 -0.113 0.000 0.982 262 K CB 0.713 33.314 32.500 0.167 0.000 1.283 262 K HN 0.266 nan 8.250 nan 0.000 0.500 263 H N -0.375 118.809 119.070 0.191 0.000 2.823 263 H HA 0.411 4.973 4.556 0.010 0.000 0.332 263 H C -1.004 174.376 175.328 0.087 0.000 0.980 263 H CA -0.570 55.537 56.048 0.098 0.000 1.286 263 H CB 1.700 31.463 29.762 0.002 0.000 1.541 263 H HN 0.691 nan 8.280 nan 0.000 0.521 264 A N 2.932 125.865 122.820 0.189 0.000 2.322 264 A HA 0.648 4.974 4.320 0.010 0.000 0.327 264 A C -1.099 176.509 177.584 0.040 0.000 1.134 264 A CA -0.704 51.379 52.037 0.077 0.000 0.831 264 A CB 1.659 20.730 19.000 0.118 0.000 1.288 264 A HN 0.446 nan 8.150 nan 0.000 0.472 265 L N 1.131 122.352 121.223 -0.003 0.000 2.376 265 L HA 0.724 5.070 4.340 0.010 0.000 0.275 265 L C -1.059 175.775 176.870 -0.059 0.000 0.987 265 L CA -0.296 54.526 54.840 -0.028 0.000 0.828 265 L CB 1.242 43.282 42.059 -0.033 0.000 1.249 265 L HN 0.673 nan 8.230 nan 0.000 0.409 266 I N 5.447 125.941 120.570 -0.127 0.000 2.474 266 I HA 0.542 4.718 4.170 0.010 0.000 0.294 266 I C -1.124 174.752 176.117 -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 -0.434 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 4.412 4.170 0.010 0.000 0.284 267 I C -1.322 174.486 176.117 -0.515 0.000 1.012 267 I CA -0.470 60.626 61.300 -0.340 0.000 1.119 267 I CB 1.045 39.007 38.000 -0.063 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 4.869 4.550 0.009 0.000 0.345 268 Y C 0.131 175.872 175.900 -0.265 0.000 0.970 268 Y CA -0.660 57.276 58.100 -0.273 0.000 1.204 268 Y CB 0.406 38.711 38.460 -0.258 0.000 1.122 268 Y HN 0.389 nan 8.280 nan 0.000 0.514 269 D N 3.687 123.958 120.400 -0.215 0.000 2.462 269 D HA 0.241 4.887 4.640 0.010 0.000 0.245 269 D C -1.260 174.981 176.300 -0.097 0.000 1.122 269 D CA -0.408 53.501 54.000 -0.153 0.000 0.864 269 D CB 0.847 41.506 40.800 -0.234 0.000 1.098 269 D HN 0.600 nan 8.370 nan 0.000 0.541 270 D N 2.071 122.442 120.400 -0.048 0.000 2.374 270 D HA 0.309 4.955 4.640 0.010 0.000 0.239 270 D C 1.328 177.587 176.300 -0.070 0.000 0.991 270 D CA -0.692 53.280 54.000 -0.046 0.000 0.960 270 D CB 2.022 42.810 40.800 -0.019 0.000 1.284 270 D HN 0.147 nan 8.370 nan 0.000 0.512 271 L N 0.281 121.427 121.223 -0.128 0.000 2.418 271 L HA -0.007 4.339 4.340 0.010 0.000 0.218 271 L C 1.891 178.733 176.870 -0.047 0.000 1.125 271 L CA 0.374 55.080 54.840 -0.223 0.000 0.835 271 L CB -0.143 41.565 42.059 -0.585 0.000 0.953 271 L HN 0.355 nan 8.230 nan 0.000 0.454 272 S N 0.551 116.242 115.700 -0.015 0.000 2.351 272 S HA -0.197 4.279 4.470 0.010 0.000 0.220 272 S C 1.902 176.561 174.600 0.097 0.000 1.035 272 S CA 1.504 59.733 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 0.993 121.437 120.400 0.074 0.000 2.211 273 K HA -0.077 4.249 4.320 0.010 0.000 0.203 273 K C 2.362 179.035 176.600 0.122 0.000 1.050 273 K CA 0.725 57.068 56.287 0.094 0.000 0.945 273 K CB -0.148 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 1.169 121.035 119.800 0.110 0.000 2.079 274 Q HA -0.133 4.213 4.340 0.010 0.000 0.200 274 Q C 2.119 178.264 176.000 0.243 0.000 0.974 274 Q CA 1.368 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 0.247 0.000 1.908 275 A HA -0.183 4.143 4.320 0.010 0.000 0.218 275 A C 2.184 180.000 177.584 0.387 0.000 1.181 275 A CA 2.075 54.263 52.037 0.251 0.000 0.627 275 A CB -1.106 17.955 19.000 0.101 0.000 0.818 275 A HN 0.466 nan 8.150 nan 0.000 0.445 276 V N -2.764 117.341 119.914 0.319 0.000 2.667 276 V HA 0.064 4.190 4.120 0.010 0.000 0.252 276 V C 2.429 178.624 176.094 0.168 0.000 1.065 276 V CA 1.683 64.131 62.300 0.246 0.000 1.083 276 V CB -1.257 30.663 31.823 0.161 0.000 0.692 276 V HN 0.523 nan 8.190 nan 0.000 0.468 277 A N -0.293 122.642 122.820 0.191 0.000 1.873 277 A HA -0.162 4.164 4.320 0.010 0.000 0.215 277 A C 2.200 179.899 177.584 0.191 0.000 1.186 277 A CA 1.917 54.060 52.037 0.178 0.000 0.616 277 A CB -1.005 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 0.698 121.050 120.300 0.088 0.000 2.224 278 Y HA -0.169 4.386 4.550 0.009 0.000 0.289 278 Y C 2.449 178.335 175.900 -0.023 0.000 1.146 278 Y CA 1.801 59.881 58.100 -0.033 0.000 1.182 278 Y CB -0.412 38.039 38.460 -0.014 0.000 0.983 278 Y HN 0.382 nan 8.280 nan 0.000 0.524 279 R N 0.285 120.782 120.500 -0.006 0.000 2.092 279 R HA -0.203 4.143 4.340 0.010 0.000 0.231 279 R C 2.401 178.608 176.300 -0.155 0.000 1.119 279 R CA 1.674 57.697 56.100 -0.129 0.000 0.970 279 R CB -0.457 29.791 30.300 -0.087 0.000 0.864 279 R HN 0.548 nan 8.270 nan 0.000 0.440 280 Q N 0.447 120.203 119.800 -0.074 0.000 2.096 280 Q HA -0.210 4.136 4.340 0.010 0.000 0.204 280 Q C 2.049 177.988 176.000 -0.102 0.000 0.982 280 Q CA 2.104 57.864 55.803 -0.070 0.000 0.850 280 Q CB -0.078 28.648 28.738 -0.019 0.000 0.901 280 Q HN 0.440 nan 8.270 nan 0.000 0.422 281 M N 0.003 119.531 119.600 -0.120 0.000 2.065 281 M HA -0.177 4.309 4.480 0.010 0.000 0.259 281 M C 2.378 178.549 176.300 -0.216 0.000 1.069 281 M CA 1.872 57.082 55.300 -0.150 0.000 1.110 281 M CB -0.155 32.358 32.600 -0.144 0.000 1.328 281 M HN 0.137 nan 8.290 nan 0.000 0.405 282 S N 0.894 116.373 115.700 -0.367 0.000 2.370 282 S HA -0.099 4.377 4.470 0.010 0.000 0.226 282 S C 1.899 176.384 174.600 -0.192 0.000 1.033 282 S CA 1.220 59.219 58.200 -0.335 0.000 1.011 282 S CB -0.590 62.322 63.200 -0.480 0.000 0.852 282 S HN 0.395 nan 8.310 nan 0.000 0.457 283 L N 0.877 122.002 121.223 -0.162 0.000 2.093 283 L HA -0.027 4.319 4.340 0.010 0.000 0.208 283 L C 2.199 179.015 176.870 -0.090 0.000 1.085 283 L CA 0.943 55.716 54.840 -0.112 0.000 0.755 283 L CB -0.632 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 -0.501 120.668 121.223 -0.091 0.000 2.201 284 L HA -0.177 4.169 4.340 0.010 0.000 0.212 284 L C 2.268 179.097 176.870 -0.067 0.000 1.105 284 L CA 0.889 55.687 54.840 -0.070 0.000 0.775 284 L CB -0.266 41.756 42.059 -0.062 0.000 0.913 284 L HN 0.274 nan 8.230 nan 0.000 0.440 285 L N -0.750 120.423 121.223 -0.082 0.000 2.552 285 L HA 0.027 4.373 4.340 0.010 0.000 0.227 285 L C 0.891 177.728 176.870 -0.054 0.000 1.146 285 L CA 0.382 55.183 54.840 -0.065 0.000 0.858 285 L CB -0.065 41.949 42.059 -0.075 0.000 0.969 285 L HN 0.239 nan 8.230 nan 0.000 0.451 286 R N -0.478 119.986 120.500 -0.060 0.000 3.762 286 R HA -0.128 4.218 4.340 0.010 0.000 0.328 286 R C -0.072 176.201 176.300 -0.047 0.000 1.164 286 R CA 0.214 56.285 56.100 -0.049 0.000 0.861 286 R CB -1.637 28.642 30.300 -0.035 0.000 1.408 286 R HN 0.318 nan 8.270 nan 0.000 0.502 287 R N 1.887 122.350 120.500 -0.061 0.000 2.438 287 R HA 0.178 4.524 4.340 0.010 0.000 0.287 287 R C -1.973 174.302 176.300 -0.041 0.000 1.077 287 R CA -1.544 54.527 56.100 -0.048 0.000 1.034 287 R CB 0.293 30.557 30.300 -0.060 0.000 0.993 287 R HN -0.092 nan 8.270 nan 0.000 0.459 288 P HA -0.063 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 -0.593 62.499 63.100 -0.014 0.000 0.768 288 P CB -0.206 31.492 31.700 -0.003 0.000 0.746 289 P HA 0.207 nan 4.420 nan 0.000 0.276 289 P C 0.388 177.694 177.300 0.010 0.000 1.230 289 P CA 0.217 63.309 63.100 -0.014 0.000 0.776 289 P CB 1.243 32.921 31.700 -0.037 0.000 0.888 290 G N 2.379 111.208 108.800 0.048 0.000 3.286 290 G HA2 0.325 4.291 3.960 0.010 0.000 0.166 290 G HA3 0.325 4.291 3.960 0.010 0.000 0.166 290 G C -0.505 174.408 174.900 0.023 0.000 1.155 290 G CA -0.843 44.277 45.100 0.033 0.000 0.871 290 G HN 0.544 nan 8.290 nan 0.000 0.637 291 R N 0.703 121.166 120.500 -0.061 0.000 2.523 291 R HA 0.033 4.379 4.340 0.010 0.000 0.281 291 R C 0.116 176.489 176.300 0.122 0.000 0.969 291 R CA 1.112 57.131 56.100 -0.135 0.000 1.093 291 R CB -0.286 29.632 30.300 -0.637 0.000 0.917 291 R HN 0.680 nan 8.270 nan 0.000 0.408 292 E N 2.584 122.857 120.200 0.121 0.000 2.660 292 E HA -0.346 4.010 4.350 0.010 0.000 0.260 292 E C 0.365 176.969 176.600 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 0.382 0.000 1.345 292 E HN 0.880 nan 8.360 nan 0.000 0.421 293 A N -2.361 120.455 122.820 -0.008 0.000 3.413 293 A HA -0.308 4.018 4.320 0.010 0.000 0.268 293 A C 0.056 177.574 177.584 -0.110 0.000 1.128 293 A CA 1.787 53.772 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 0.898 121.270 120.300 0.121 0.000 2.346 294 Y HA 0.432 4.987 4.550 0.010 0.000 0.330 294 Y C -1.357 174.611 175.900 0.113 0.000 1.178 294 Y CA -1.232 56.945 58.100 0.130 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 -0.008 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 0.180 63.346 63.100 0.109 0.000 0.780 295 P CB 0.901 32.578 31.700 -0.038 0.000 0.898 296 G N 2.128 111.025 108.800 0.161 0.000 2.485 296 G HA2 -0.238 3.728 3.960 0.010 0.000 0.221 296 G HA3 -0.238 3.728 3.960 0.010 0.000 0.221 296 G C 0.722 175.752 174.900 0.217 0.000 1.115 296 G CA 0.736 45.943 45.100 0.179 0.000 0.751 296 G HN 0.640 nan 8.290 nan 0.000 0.567 297 D N 0.735 121.277 120.400 0.237 0.000 2.368 297 D HA -0.003 4.643 4.640 0.010 0.000 0.218 297 D C 2.170 178.643 176.300 0.287 0.000 1.112 297 D CA 0.425 54.601 54.000 0.293 0.000 0.834 297 D CB -0.363 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 -1.938 118.111 119.914 0.226 0.000 2.867 298 V HA -0.132 3.994 4.120 0.010 0.000 0.260 298 V C 2.159 178.176 176.094 -0.128 0.000 1.099 298 V CA 0.935 63.250 62.300 0.026 0.000 1.122 298 V CB -1.527 30.217 31.823 -0.132 0.000 0.708 298 V HN 0.159 nan 8.190 nan 0.000 0.490 299 F N 0.881 120.777 119.950 -0.089 0.000 2.206 299 F HA -0.059 4.475 4.527 0.010 0.000 0.298 299 F C 2.228 178.044 175.800 0.026 0.000 1.090 299 F CA 1.510 59.466 58.000 -0.074 0.000 1.323 299 F CB -0.442 38.562 39.000 0.007 0.000 1.028 299 F HN 0.179 nan 8.300 nan 0.000 0.492 300 Y N 0.738 121.000 120.300 -0.063 0.000 2.293 300 Y HA -0.104 4.453 4.550 0.011 0.000 0.291 300 Y C 2.073 177.857 175.900 -0.194 0.000 1.137 300 Y CA 1.320 59.318 58.100 -0.171 0.000 1.202 300 Y CB -0.757 37.724 38.460 0.034 0.000 0.990 300 Y HN 0.219 nan 8.280 nan 0.000 0.537 301 L N -0.071 120.986 121.223 -0.277 0.000 2.089 301 L HA -0.291 4.055 4.340 0.010 0.000 0.213 301 L C 2.059 178.816 176.870 -0.189 0.000 1.079 301 L CA 2.381 57.018 54.840 -0.339 0.000 0.758 301 L CB -0.742 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 -2.229 116.653 119.070 -0.313 0.000 2.418 302 H HA 0.015 4.577 4.556 0.009 0.000 0.300 302 H C 2.317 177.405 175.328 -0.401 0.000 1.041 302 H CA 0.709 56.544 56.048 -0.356 0.000 1.364 302 H CB 0.067 29.636 29.762 -0.322 0.000 1.439 302 H HN 0.472 nan 8.280 nan 0.000 0.540 303 S N 1.956 117.391 115.700 -0.442 0.000 2.368 303 S HA -0.245 4.231 4.470 0.010 0.000 0.225 303 S C 2.106 176.597 174.600 -0.183 0.000 1.030 303 S CA 1.257 59.225 58.200 -0.386 0.000 0.999 303 S CB -0.367 62.491 63.200 -0.570 0.000 0.844 303 S HN 0.504 nan 8.310 nan 0.000 0.459 304 R N 1.220 121.589 120.500 -0.217 0.000 2.080 304 R HA -0.059 4.287 4.340 0.010 0.000 0.236 304 R C 2.322 178.575 176.300 -0.079 0.000 1.137 304 R CA 1.478 57.477 56.100 -0.167 0.000 0.943 304 R CB -1.121 28.918 30.300 -0.436 0.000 0.846 304 R HN 0.401 nan 8.270 nan 0.000 0.431 305 L N 1.613 122.801 121.223 -0.059 0.000 1.956 305 L HA -0.131 4.215 4.340 0.010 0.000 0.216 305 L C 2.290 179.084 176.870 -0.127 0.000 1.073 305 L CA 1.763 56.549 54.840 -0.090 0.000 0.762 305 L CB -0.552 41.290 42.059 -0.362 0.000 0.889 305 L HN 0.272 nan 8.230 nan 0.000 0.433 306 L N -0.394 120.726 121.223 -0.172 0.000 2.549 306 L HA -0.089 4.257 4.340 0.010 0.000 0.229 306 L C 2.332 179.178 176.870 -0.039 0.000 1.158 306 L CA 0.406 55.186 54.840 -0.101 0.000 0.842 306 L CB -0.625 41.356 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 4.249 4.350 0.010 0.000 0.194 307 E C 2.105 178.709 176.600 0.007 0.000 0.997 307 E CA 0.545 56.940 56.400 -0.007 0.000 0.845 307 E CB 0.139 29.840 29.700 0.002 0.000 0.782 307 E HN 0.514 nan 8.360 nan 0.000 0.491 308 R N 0.727 121.236 120.500 0.015 0.000 2.237 308 R HA 0.051 4.397 4.340 0.010 0.000 0.219 308 R C 1.061 177.387 176.300 0.044 0.000 1.080 308 R CA 0.436 56.555 56.100 0.032 0.000 0.995 308 R CB -0.065 30.265 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 4.926 4.320 0.010 0.000 0.248 309 A C -0.057 177.546 177.584 0.032 0.000 1.082 309 A CA 0.246 52.314 52.037 0.052 0.000 0.785 309 A CB 0.452 19.484 19.000 0.054 0.000 1.020 309 A HN 0.320 nan 8.150 nan 0.000 0.489 310 A N 1.361 124.202 122.820 0.034 0.000 2.569 310 A HA 0.606 4.932 4.320 0.010 0.000 0.292 310 A C -1.045 176.559 177.584 0.034 0.000 1.032 310 A CA -0.635 51.415 52.037 0.021 0.000 0.669 310 A CB 0.795 19.797 19.000 0.005 0.000 1.290 310 A HN 1.115 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 4.940 4.320 0.010 0.000 0.261 311 K C -0.340 176.280 176.600 0.033 0.000 1.014 311 K CA -0.430 55.885 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 2.452 122.080 119.600 0.046 0.000 2.202 312 M HA 0.203 4.689 4.480 0.010 0.000 0.316 312 M C 0.459 176.809 176.300 0.084 0.000 1.138 312 M CA -0.428 54.897 55.300 0.041 0.000 1.151 312 M CB 0.082 32.722 32.600 0.068 0.000 1.422 312 M HN 0.718 nan 8.290 nan 0.000 0.471 313 N N 0.167 118.942 118.700 0.125 0.000 2.491 313 N HA 0.213 4.959 4.740 0.010 0.000 0.279 313 N C 0.033 175.637 175.510 0.156 0.000 1.236 313 N CA -0.528 52.603 53.050 0.135 0.000 0.982 313 N CB 0.369 38.941 38.487 0.141 0.000 1.194 313 N HN 0.374 nan 8.380 nan 0.000 0.582 314 D N -0.222 120.240 120.400 0.103 0.000 2.116 314 D HA -0.177 4.469 4.640 0.010 0.000 0.193 314 D C 1.676 177.998 176.300 0.037 0.000 0.998 314 D CA 2.173 56.211 54.000 0.062 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 -0.540 122.302 122.820 0.035 0.000 2.186 315 A HA -0.140 4.186 4.320 0.010 0.000 0.219 315 A C 1.199 178.553 177.584 -0.383 0.000 1.159 315 A CA 0.921 52.872 52.037 -0.142 0.000 0.680 315 A CB -0.592 18.325 19.000 -0.138 0.000 0.787 315 A HN 0.210 nan 8.150 nan 0.000 0.467 316 F N -2.190 117.753 119.950 -0.012 0.000 2.724 316 F HA 0.439 4.972 4.527 0.010 0.000 0.310 316 F C 1.589 177.370 175.800 -0.032 0.000 1.107 316 F CA 0.367 58.355 58.000 -0.020 0.000 1.218 316 F CB 0.777 39.769 39.000 -0.014 0.000 1.042 316 F HN 0.281 nan 8.300 nan 0.000 0.540 317 G N -0.481 108.360 108.800 0.068 0.000 2.278 317 G HA2 -0.048 3.918 3.960 0.010 0.000 0.210 317 G HA3 -0.048 3.918 3.960 0.010 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 -0.191 108.645 108.800 0.061 0.000 2.189 318 G HA2 0.112 4.078 3.960 0.010 0.000 0.267 318 G HA3 0.112 4.078 3.960 0.010 0.000 0.267 318 G C 1.738 176.667 174.900 0.049 0.000 0.975 318 G CA 1.261 46.402 45.100 0.069 0.000 0.644 318 G HN 2.148 nan 8.290 nan 0.000 0.537 319 G N -0.388 108.384 108.800 -0.046 0.000 2.647 319 G HA2 0.618 4.584 3.960 0.010 0.000 0.271 319 G HA3 0.618 4.584 3.960 0.010 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 -2.128 113.645 115.700 0.122 0.000 2.595 320 S HA 0.516 4.992 4.470 0.010 0.000 0.270 320 S C -1.778 172.925 174.600 0.171 0.000 1.145 320 S CA -0.806 57.515 58.200 0.202 0.000 0.825 320 S CB 1.669 65.049 63.200 0.299 0.000 1.107 320 S HN 1.284 nan 8.310 nan 0.000 0.461 321 L N 1.567 122.857 121.223 0.112 0.000 2.409 321 L HA 0.790 5.136 4.340 0.010 0.000 0.272 321 L C -0.839 176.064 176.870 0.054 0.000 0.980 321 L CA 0.219 55.114 54.840 0.091 0.000 0.826 321 L CB 1.934 44.046 42.059 0.088 0.000 1.268 321 L HN 0.942 nan 8.230 nan 0.000 0.407 322 T N 4.505 119.076 114.554 0.028 0.000 2.770 322 T HA 0.824 5.180 4.350 0.010 0.000 0.283 322 T C -0.392 174.302 174.700 -0.010 0.000 0.988 322 T CA -0.293 61.808 62.100 0.002 0.000 0.957 322 T CB 1.306 70.160 68.868 -0.024 0.000 0.930 322 T HN 0.789 nan 8.240 nan 0.000 0.443 323 A N 3.769 126.595 122.820 0.009 0.000 2.318 323 A HA 0.753 5.079 4.320 0.010 0.000 0.324 323 A C -0.358 177.232 177.584 0.010 0.000 1.170 323 A CA -0.680 51.368 52.037 0.019 0.000 0.810 323 A CB 0.484 19.575 19.000 0.151 0.000 1.198 323 A HN 0.882 nan 8.150 nan 0.000 0.484 324 L N 4.973 126.184 121.223 -0.020 0.000 2.506 324 L HA 0.314 4.660 4.340 0.010 0.000 0.247 324 L C -2.265 174.610 176.870 0.007 0.000 1.141 324 L CA -1.737 53.095 54.840 -0.014 0.000 0.973 324 L CB 1.413 43.459 42.059 -0.021 0.000 1.319 324 L HN 0.508 nan 8.230 nan 0.000 0.455 325 P HA 0.176 nan 4.420 nan 0.000 0.278 325 P C -0.535 176.747 177.300 -0.030 0.000 1.238 325 P CA -0.172 62.965 63.100 0.061 0.000 0.794 325 P CB 2.054 33.734 31.700 -0.034 0.000 0.955 326 V N 3.997 123.886 119.914 -0.043 0.000 2.581 326 V HA 0.440 4.566 4.120 0.010 0.000 0.303 326 V C 0.313 176.365 176.094 -0.070 0.000 1.041 326 V CA -0.631 61.640 62.300 -0.049 0.000 0.907 326 V CB 1.781 33.590 31.823 -0.023 0.000 0.994 326 V HN 0.425 nan 8.190 nan 0.000 0.442 327 I N 3.050 123.583 120.570 -0.061 0.000 2.499 327 I HA 0.399 4.575 4.170 0.010 0.000 0.288 327 I C -0.135 175.971 176.117 -0.018 0.000 1.048 327 I CA -0.403 60.866 61.300 -0.052 0.000 1.062 327 I CB 2.026 39.987 38.000 -0.065 0.000 1.238 327 I HN 0.777 nan 8.210 nan 0.000 0.426 328 E N 5.603 125.804 120.200 0.001 0.000 2.081 328 E HA 0.332 4.688 4.350 0.010 0.000 0.276 328 E C -0.505 176.116 176.600 0.034 0.000 0.950 328 E CA -0.324 56.086 56.400 0.017 0.000 0.776 328 E CB 1.060 30.773 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 0.042 0.000 2.882 329 T HA 0.268 4.624 4.350 0.010 0.000 0.287 329 T C 0.159 174.890 174.700 0.051 0.000 1.014 329 T CA -0.911 61.224 62.100 0.057 0.000 1.049 329 T CB 1.479 70.393 68.868 0.077 0.000 1.001 329 T HN 0.348 nan 8.240 nan 0.000 0.525 330 Q N 0.454 120.287 119.800 0.056 0.000 2.256 330 Q HA 0.528 4.874 4.340 0.010 0.000 0.257 330 Q C 0.583 176.607 176.000 0.040 0.000 0.936 330 Q CA -0.293 55.538 55.803 0.046 0.000 0.903 330 Q CB 1.536 30.304 28.738 0.050 0.000 1.263 330 Q HN 1.212 nan 8.270 nan 0.000 0.440 331 A N 2.020 124.857 122.820 0.028 0.000 2.665 331 A HA -0.200 4.126 4.320 0.010 0.000 0.301 331 A C 1.182 178.779 177.584 0.022 0.000 1.509 331 A CA 1.360 53.408 52.037 0.018 0.000 0.789 331 A CB -2.193 16.816 19.000 0.015 0.000 1.024 331 A HN 1.523 nan 8.150 nan 0.000 0.460 332 G N -1.014 107.805 108.800 0.032 0.000 2.212 332 G HA2 -0.281 3.685 3.960 0.010 0.000 0.267 332 G HA3 -0.281 3.685 3.960 0.010 0.000 0.267 332 G C 0.037 174.966 174.900 0.048 0.000 1.002 332 G CA 1.100 46.224 45.100 0.040 0.000 0.729 332 G HN 1.614 nan 8.290 nan 0.000 0.517 333 D N 0.380 120.811 120.400 0.053 0.000 2.416 333 D HA 0.316 4.962 4.640 0.010 0.000 0.240 333 D C 1.627 177.979 176.300 0.087 0.000 1.250 333 D CA 0.336 54.372 54.000 0.059 0.000 0.967 333 D CB 0.599 41.433 40.800 0.057 0.000 1.059 333 D HN 0.635 nan 8.370 nan 0.000 0.512 334 V N 1.552 121.529 119.914 0.105 0.000 3.563 334 V HA 0.153 4.279 4.120 0.010 0.000 0.299 334 V C 1.142 177.314 176.094 0.130 0.000 1.290 334 V CA 0.368 62.764 62.300 0.158 0.000 1.201 334 V CB 0.047 32.051 31.823 0.303 0.000 1.045 334 V HN 0.313 nan 8.190 nan 0.000 0.425 335 S N 0.500 116.260 115.700 0.099 0.000 2.524 335 S HA 0.566 5.042 4.470 0.010 0.000 0.215 335 S C 1.361 176.025 174.600 0.106 0.000 0.986 335 S CA 0.334 58.590 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 0.968 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 4.458 4.320 0.010 0.000 0.237 336 A C 0.932 178.628 177.584 0.186 0.000 1.087 336 A CA 0.105 52.226 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 1.151 121.482 120.300 0.052 0.000 2.097 337 Y HA -0.209 4.347 4.550 0.010 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 -0.603 37.890 38.460 0.054 0.000 0.975 337 Y HN 0.518 nan 8.280 nan 0.000 0.498 338 I N 0.381 120.885 120.570 -0.110 0.000 2.163 338 I HA -0.189 3.987 4.170 0.010 0.000 0.240 338 I C -0.636 175.442 176.117 -0.064 0.000 1.081 338 I CA 1.499 62.661 61.300 -0.231 0.000 1.353 338 I CB -1.939 35.883 38.000 -0.297 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 2.607 65.720 63.100 0.022 0.000 0.874 339 P CB -0.485 31.248 31.700 0.056 0.000 0.790 340 T N -3.260 111.338 114.554 0.072 0.000 2.684 340 T HA -0.201 4.155 4.350 0.010 0.000 0.267 340 T C 1.746 176.501 174.700 0.092 0.000 1.036 340 T CA 1.581 63.735 62.100 0.091 0.000 1.148 340 T CB -1.404 67.534 68.868 0.116 0.000 0.863 340 T HN -0.045 nan 8.240 nan 0.000 0.436 341 N N 1.623 120.373 118.700 0.083 0.000 2.027 341 N HA -0.115 4.631 4.740 0.010 0.000 0.200 341 N C 1.990 177.595 175.510 0.160 0.000 1.042 341 N CA 1.722 54.863 53.050 0.151 0.000 0.871 341 N CB -1.173 37.346 38.487 0.052 0.000 1.063 341 N HN 0.363 nan 8.380 nan 0.000 0.438 342 V N 1.229 121.187 119.914 0.072 0.000 2.469 342 V HA -0.171 3.954 4.120 0.010 0.000 0.251 342 V C 2.191 178.289 176.094 0.007 0.000 1.064 342 V CA 1.178 63.487 62.300 0.015 0.000 1.066 342 V CB -0.483 31.304 31.823 -0.060 0.000 0.667 342 V HN 0.292 nan 8.190 nan 0.000 0.461 343 I N 1.037 121.617 120.570 0.017 0.000 2.394 343 I HA -0.158 4.018 4.170 0.010 0.000 0.251 343 I C 2.309 178.451 176.117 0.042 0.000 1.136 343 I CA 1.632 62.934 61.300 0.003 0.000 1.425 343 I CB -0.235 37.771 38.000 0.010 0.000 1.079 343 I HN 0.470 nan 8.210 nan 0.000 0.425 344 S N -0.171 115.585 115.700 0.093 0.000 2.701 344 S HA 0.171 4.647 4.470 0.010 0.000 0.220 344 S C 1.311 176.012 174.600 0.170 0.000 0.954 344 S CA 0.145 58.422 58.200 0.127 0.000 0.936 344 S CB -0.308 62.978 63.200 0.144 0.000 0.777 344 S HN 0.435 nan 8.310 nan 0.000 0.518 345 I N 0.776 121.412 120.570 0.110 0.000 3.873 345 I HA 0.089 4.265 4.170 0.010 0.000 0.284 345 I C 1.490 177.619 176.117 0.020 0.000 1.186 345 I CA 0.444 61.785 61.300 0.069 0.000 1.362 345 I CB -0.338 37.659 38.000 -0.005 0.000 1.432 345 I HN 0.333 nan 8.210 nan 0.000 0.454 346 T N -1.340 113.211 114.554 -0.006 0.000 2.689 346 T HA 0.069 4.425 4.350 0.010 0.000 0.308 346 T C 0.312 175.007 174.700 -0.008 0.000 1.021 346 T CA -0.101 61.987 62.100 -0.020 0.000 0.973 346 T CB 0.560 69.400 68.868 -0.046 0.000 1.113 346 T HN 0.068 nan 8.240 nan 0.000 0.522 347 D N 0.218 120.610 120.400 -0.012 0.000 2.643 347 D HA 0.430 5.076 4.640 0.010 0.000 0.244 347 D C 0.708 177.002 176.300 -0.011 0.000 1.257 347 D CA 0.048 54.045 54.000 -0.005 0.000 0.831 347 D CB 0.149 40.948 40.800 -0.002 0.000 1.043 347 D HN 0.954 nan 8.370 nan 0.000 0.488 348 G N 0.730 109.514 108.800 -0.026 0.000 2.361 348 G HA2 0.247 4.213 3.960 0.010 0.000 0.305 348 G HA3 0.247 4.213 3.960 0.010 0.000 0.305 348 G C -1.889 172.954 174.900 -0.094 0.000 1.367 348 G CA -0.882 44.196 45.100 -0.037 0.000 0.951 348 G HN 0.019 nan 8.290 nan 0.000 0.615 349 Q N -1.312 118.403 119.800 -0.142 0.000 2.501 349 Q HA 0.809 5.155 4.340 0.010 0.000 0.288 349 Q C -0.833 175.035 176.000 -0.220 0.000 1.051 349 Q CA -0.685 54.947 55.803 -0.284 0.000 0.788 349 Q CB 2.287 30.646 28.738 -0.633 0.000 1.469 349 Q HN 0.682 nan 8.270 nan 0.000 0.416 350 I N 2.012 122.451 120.570 -0.218 0.000 2.466 350 I HA 0.390 4.566 4.170 0.010 0.000 0.279 350 I C -1.301 174.788 176.117 -0.046 0.000 1.033 350 I CA -0.464 60.800 61.300 -0.060 0.000 1.123 350 I CB 0.572 38.566 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 5.027 4.527 0.010 0.000 0.355 351 F C 0.063 175.881 175.800 0.030 0.000 1.121 351 F CA -0.896 57.117 58.000 0.022 0.000 1.112 351 F CB 0.484 39.497 39.000 0.022 0.000 1.126 351 F HN 0.104 nan 8.300 nan 0.000 0.481 352 L N 3.725 125.074 121.223 0.211 0.000 2.289 352 L HA 0.445 4.791 4.340 0.010 0.000 0.285 352 L C 0.022 176.969 176.870 0.128 0.000 1.049 352 L CA -0.591 54.335 54.840 0.142 0.000 0.804 352 L CB 1.074 43.181 42.059 0.080 0.000 1.195 352 L HN 0.583 nan 8.230 nan 0.000 0.428 353 E N 1.475 121.750 120.200 0.125 0.000 2.166 353 E HA 0.201 4.557 4.350 0.010 0.000 0.275 353 E C 0.261 176.941 176.600 0.133 0.000 0.941 353 E CA -0.417 56.044 56.400 0.101 0.000 0.784 353 E CB 2.105 31.856 29.700 0.085 0.000 1.115 353 E HN 0.574 nan 8.360 nan 0.000 0.399 354 T N 2.162 116.776 114.554 0.100 0.000 2.720 354 T HA -0.171 4.185 4.350 0.010 0.000 0.268 354 T C 1.403 176.242 174.700 0.232 0.000 1.037 354 T CA 1.050 63.246 62.100 0.159 0.000 1.144 354 T CB 0.059 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 1.145 121.414 120.200 0.114 0.000 2.033 355 E HA -0.110 4.246 4.350 0.010 0.000 0.199 355 E C 2.370 179.087 176.600 0.194 0.000 1.011 355 E CA 1.040 57.502 56.400 0.103 0.000 0.815 355 E CB -0.561 29.171 29.700 0.054 0.000 0.755 355 E HN 0.461 nan 8.360 nan 0.000 0.451 356 L N -0.039 121.292 121.223 0.180 0.000 1.997 356 L HA -0.241 4.105 4.340 0.010 0.000 0.216 356 L C 2.579 179.589 176.870 0.233 0.000 1.074 356 L CA 1.447 56.395 54.840 0.180 0.000 0.763 356 L CB -0.621 41.534 42.059 0.160 0.000 0.890 356 L HN 0.075 nan 8.230 nan 0.000 0.434 357 F N -0.232 119.805 119.950 0.144 0.000 2.063 357 F HA -0.330 4.203 4.527 0.010 0.000 0.298 357 F C 2.456 178.316 175.800 0.101 0.000 1.109 357 F CA 1.818 59.894 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 0.059 120.455 120.300 0.160 0.000 2.163 358 Y HA -0.177 4.379 4.550 0.010 0.000 0.288 358 Y C 2.418 178.321 175.900 0.004 0.000 1.136 358 Y CA 1.770 59.907 58.100 0.061 0.000 1.147 358 Y CB -0.979 37.537 38.460 0.094 0.000 0.987 358 Y HN -0.025 nan 8.280 nan 0.000 0.509 359 K N 0.002 120.520 120.400 0.196 0.000 2.589 359 K HA -0.086 4.240 4.320 0.010 0.000 0.195 359 K C 1.122 177.743 176.600 0.035 0.000 1.040 359 K CA 0.860 57.208 56.287 0.102 0.000 0.950 359 K CB -0.552 32.010 32.500 0.103 0.000 0.781 359 K HN 0.543 nan 8.250 nan 0.000 0.486 360 G N 0.484 109.270 108.800 -0.023 0.000 2.141 360 G HA2 -0.197 3.769 3.960 0.010 0.000 0.242 360 G HA3 -0.197 3.769 3.960 0.010 0.000 0.242 360 G C -0.008 174.852 174.900 -0.066 0.000 0.982 360 G CA 0.079 45.127 45.100 -0.086 0.000 0.662 360 G HN 0.236 nan 8.290 nan 0.000 0.527 361 I N 1.322 121.883 120.570 -0.016 0.000 2.297 361 I HA 0.464 4.640 4.170 0.010 0.000 0.291 361 I C 0.533 176.656 176.117 0.009 0.000 1.033 361 I CA -0.061 61.245 61.300 0.009 0.000 1.253 361 I CB 0.695 38.727 38.000 0.054 0.000 1.396 361 I HN 0.117 nan 8.210 nan 0.000 0.476 362 R N 7.001 127.489 120.500 -0.021 0.000 2.564 362 R HA 0.419 4.765 4.340 0.010 0.000 0.284 362 R C -2.788 173.521 176.300 0.014 0.000 1.031 362 R CA -1.796 54.305 56.100 0.002 0.000 0.904 362 R CB 2.437 32.663 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 0.086 177.466 177.300 0.135 0.000 1.193 363 P CA 0.048 63.209 63.100 0.102 0.000 0.763 363 P CB 0.678 32.424 31.700 0.078 0.000 0.810 364 A N 4.868 127.825 122.820 0.229 0.000 2.253 364 A HA 0.020 4.346 4.320 0.010 0.000 0.225 364 A C 0.933 178.616 177.584 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 17.668 19.000 0.383 0.000 0.804 364 A HN 0.525 nan 8.150 nan 0.000 0.614 365 I N 0.747 121.395 120.570 0.130 0.000 2.692 365 I HA -0.035 4.141 4.170 0.010 0.000 0.284 365 I C 0.741 176.929 176.117 0.117 0.000 1.159 365 I CA -0.099 61.274 61.300 0.123 0.000 1.423 365 I CB 0.514 38.573 38.000 0.099 0.000 1.380 365 I HN 0.360 nan 8.210 nan 0.000 0.580 366 N N 6.182 124.962 118.700 0.133 0.000 2.678 366 N HA 0.104 4.850 4.740 0.010 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 1.318 39.820 38.487 0.024 0.000 1.176 366 N HN 0.403 nan 8.380 nan 0.000 0.511 367 V N 2.896 122.859 119.914 0.082 0.000 2.688 367 V HA -0.128 3.998 4.120 0.010 0.000 0.256 367 V C 2.165 178.300 176.094 0.068 0.000 1.084 367 V CA 2.202 64.550 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 -0.612 108.213 108.800 0.042 0.000 2.408 368 G HA2 -0.062 3.904 3.960 0.010 0.000 0.213 368 G HA3 -0.062 3.904 3.960 0.010 0.000 0.213 368 G C 1.491 176.410 174.900 0.032 0.000 1.177 368 G CA 0.313 45.428 45.100 0.026 0.000 0.802 368 G HN 0.419 nan 8.290 nan 0.000 0.533 369 L N 1.085 122.297 121.223 -0.017 0.000 2.056 369 L HA 0.024 4.370 4.340 0.010 0.000 0.207 369 L C 1.516 178.614 176.870 0.380 0.000 1.078 369 L CA 0.322 55.130 54.840 -0.053 0.000 0.749 369 L CB -0.708 40.946 42.059 -0.675 0.000 0.901 369 L HN 0.083 nan 8.230 nan 0.000 0.433 370 S N -0.431 115.521 115.700 0.421 0.000 2.573 370 S HA 0.344 4.820 4.470 0.010 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 1.423 64.775 63.200 0.252 0.000 0.879 370 S HN 0.090 nan 8.310 nan 0.000 0.528 371 V N 0.083 120.062 119.914 0.109 0.000 3.216 371 V HA 0.762 4.888 4.120 0.010 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 0.431 116.146 115.700 0.025 0.000 2.524 372 S HA 0.401 4.877 4.470 0.010 0.000 0.227 372 S C 0.784 175.392 174.600 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 0.738 nan 8.310 nan 0.000 0.475 373 R N 1.828 122.335 120.500 0.012 0.000 2.105 373 R HA -0.068 4.278 4.340 0.010 0.000 0.239 373 R C 1.642 177.948 176.300 0.011 0.000 1.135 373 R CA 1.954 58.062 56.100 0.014 0.000 0.967 373 R CB -0.409 29.900 30.300 0.015 0.000 0.861 373 R HN 0.627 nan 8.270 nan 0.000 0.442 374 V N -4.026 115.892 119.914 0.006 0.000 3.645 374 V HA 0.307 4.433 4.120 0.010 0.000 0.275 374 V C 1.864 177.959 176.094 0.001 0.000 1.356 374 V CA 0.757 63.060 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 1.167 109.967 108.800 -0.001 0.000 2.598 375 G HA2 -0.114 3.852 3.960 0.010 0.000 0.215 375 G HA3 -0.114 3.852 3.960 0.010 0.000 0.215 375 G C 1.465 176.365 174.900 -0.000 0.000 1.131 375 G CA 1.062 46.160 45.100 -0.004 0.000 0.785 375 G HN 0.552 nan 8.290 nan 0.000 0.539 376 S N 1.526 117.229 115.700 0.005 0.000 2.370 376 S HA -0.106 4.370 4.470 0.010 0.000 0.226 376 S C 2.766 177.368 174.600 0.004 0.000 1.033 376 S CA 1.180 59.384 58.200 0.007 0.000 1.011 376 S CB -0.447 62.759 63.200 0.010 0.000 0.852 376 S HN 0.556 nan 8.310 nan 0.000 0.457 377 A N 1.889 124.711 122.820 0.003 0.000 1.908 377 A HA 0.111 4.437 4.320 0.010 0.000 0.218 377 A C 2.386 179.968 177.584 -0.004 0.000 1.181 377 A CA 1.706 53.744 52.037 0.001 0.000 0.627 377 A CB -1.178 17.823 19.000 0.002 0.000 0.818 377 A HN 0.583 nan 8.150 nan 0.000 0.445 378 A N -1.159 121.655 122.820 -0.010 0.000 2.125 378 A HA -0.046 4.280 4.320 0.010 0.000 0.219 378 A C 1.400 178.974 177.584 -0.016 0.000 1.156 378 A CA 0.827 52.852 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 0.966 120.762 119.800 -0.006 0.000 2.352 379 Q HA 0.230 4.576 4.340 0.010 0.000 0.260 379 Q C -0.398 175.605 176.000 0.005 0.000 0.976 379 Q CA -0.147 55.657 55.803 0.001 0.000 0.881 379 Q CB 0.562 29.304 28.738 0.007 0.000 1.235 379 Q HN 0.481 nan 8.270 nan 0.000 0.419 380 T N 2.471 117.031 114.554 0.009 0.000 2.926 380 T HA 0.015 4.371 4.350 0.010 0.000 0.307 380 T C 0.899 175.610 174.700 0.019 0.000 1.059 380 T CA -0.460 61.648 62.100 0.015 0.000 1.122 380 T CB 0.850 69.731 68.868 0.021 0.000 0.972 380 T HN 0.659 nan 8.240 nan 0.000 0.545 381 R N 1.948 122.460 120.500 0.020 0.000 2.092 381 R HA 0.007 4.353 4.340 0.010 0.000 0.231 381 R C 2.407 178.725 176.300 0.031 0.000 1.119 381 R CA 1.757 57.871 56.100 0.023 0.000 0.970 381 R CB -1.117 29.196 30.300 0.021 0.000 0.864 381 R HN 0.758 nan 8.270 nan 0.000 0.440 382 A N 0.789 123.629 122.820 0.033 0.000 1.903 382 A HA -0.224 4.102 4.320 0.010 0.000 0.219 382 A C 2.201 179.816 177.584 0.051 0.000 1.191 382 A CA 1.965 54.028 52.037 0.043 0.000 0.638 382 A CB -0.551 18.471 19.000 0.037 0.000 0.823 382 A HN 0.376 nan 8.150 nan 0.000 0.451 383 M N -1.490 118.135 119.600 0.041 0.000 2.156 383 M HA -0.081 4.405 4.480 0.010 0.000 0.264 383 M C 2.061 178.382 176.300 0.035 0.000 1.067 383 M CA 1.670 56.994 55.300 0.041 0.000 1.131 383 M CB -0.935 31.685 32.600 0.033 0.000 1.368 383 M HN 0.300 nan 8.290 nan 0.000 0.416 384 K N 0.533 120.950 120.400 0.030 0.000 2.059 384 K HA -0.207 4.119 4.320 0.010 0.000 0.212 384 K C 1.958 178.575 176.600 0.028 0.000 1.050 384 K CA 1.679 57.981 56.287 0.025 0.000 0.927 384 K CB -0.365 32.149 32.500 0.022 0.000 0.714 384 K HN 0.443 nan 8.250 nan 0.000 0.447 385 Q N -0.630 119.193 119.800 0.037 0.000 2.096 385 Q HA -0.150 4.196 4.340 0.010 0.000 0.204 385 Q C 2.044 178.070 176.000 0.043 0.000 0.982 385 Q CA 1.958 57.788 55.803 0.045 0.000 0.850 385 Q CB -0.041 28.737 28.738 0.065 0.000 0.901 385 Q HN 0.408 nan 8.270 nan 0.000 0.422 386 V N -4.146 115.800 119.914 0.052 0.000 2.788 386 V HA 0.269 4.395 4.120 0.010 0.000 0.241 386 V C 2.011 178.116 176.094 0.019 0.000 1.083 386 V CA 0.844 63.168 62.300 0.040 0.000 1.103 386 V CB -0.625 31.249 31.823 0.085 0.000 0.800 386 V HN 0.167 nan 8.190 nan 0.000 0.476 387 A N 1.489 124.324 122.820 0.026 0.000 2.015 387 A HA 0.121 4.447 4.320 0.010 0.000 0.219 387 A C 2.275 179.866 177.584 0.012 0.000 1.163 387 A CA 1.697 53.745 52.037 0.018 0.000 0.646 387 A CB -1.364 17.650 19.000 0.024 0.000 0.806 387 A HN 0.746 nan 8.150 nan 0.000 0.448 388 G N -0.114 108.693 108.800 0.012 0.000 2.440 388 G HA2 -0.210 3.756 3.960 0.010 0.000 0.218 388 G HA3 -0.210 3.756 3.960 0.010 0.000 0.218 388 G C 1.491 176.392 174.900 0.001 0.000 1.154 388 G CA 1.782 46.887 45.100 0.009 0.000 0.767 388 G HN 0.748 nan 8.290 nan 0.000 0.552 389 T N -2.477 112.072 114.554 -0.008 0.000 3.163 389 T HA 0.378 4.734 4.350 0.010 0.000 0.252 389 T C 1.844 176.531 174.700 -0.023 0.000 1.056 389 T CA 0.267 62.356 62.100 -0.018 0.000 0.947 389 T CB 0.369 69.217 68.868 -0.033 0.000 1.016 389 T HN 0.224 nan 8.240 nan 0.000 0.554 390 M N 0.377 119.968 119.600 -0.014 0.000 2.429 390 M HA 0.312 4.798 4.480 0.010 0.000 0.265 390 M C 2.257 178.556 176.300 -0.002 0.000 1.120 390 M CA 1.067 56.358 55.300 -0.016 0.000 1.173 390 M CB 0.082 32.676 32.600 -0.011 0.000 1.343 390 M HN 0.093 nan 8.290 nan 0.000 0.464 391 K N 0.443 120.848 120.400 0.009 0.000 2.155 391 K HA -0.045 4.281 4.320 0.010 0.000 0.203 391 K C 1.748 178.361 176.600 0.021 0.000 1.052 391 K CA 1.019 57.318 56.287 0.021 0.000 0.948 391 K CB -0.160 32.356 32.500 0.026 0.000 0.728 391 K HN 0.374 nan 8.250 nan 0.000 0.448 392 L N 0.341 121.571 121.223 0.011 0.000 2.012 392 L HA -0.231 4.115 4.340 0.010 0.000 0.210 392 L C 2.200 179.077 176.870 0.012 0.000 1.073 392 L CA 1.658 56.503 54.840 0.009 0.000 0.748 392 L CB -0.674 41.385 42.059 -0.000 0.000 0.891 392 L HN 0.224 nan 8.230 nan 0.000 0.431 393 E N 0.445 120.646 120.200 0.002 0.000 2.077 393 E HA -0.163 4.193 4.350 0.010 0.000 0.193 393 E C 2.351 178.976 176.600 0.042 0.000 0.989 393 E CA 0.963 57.364 56.400 0.002 0.000 0.800 393 E CB -0.121 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 0.257 121.506 121.223 0.043 0.000 2.465 394 L HA -0.080 4.266 4.340 0.010 0.000 0.224 394 L C 2.246 179.188 176.870 0.119 0.000 1.145 394 L CA 0.274 55.174 54.840 0.099 0.000 0.834 394 L CB -0.226 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 -0.335 122.527 122.820 0.070 0.000 1.874 395 A HA -0.162 4.164 4.320 0.010 0.000 0.214 395 A C 2.083 179.695 177.584 0.046 0.000 1.189 395 A CA 0.774 52.840 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 -0.101 4.245 4.340 0.010 0.000 0.211 396 Q C 1.439 177.489 176.000 0.084 0.000 0.967 396 Q CA 1.251 57.084 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 -0.215 120.075 120.300 -0.017 0.000 2.558 397 Y HA 0.176 4.732 4.550 0.010 0.000 0.273 397 Y C 1.984 177.876 175.900 -0.013 0.000 1.100 397 Y CA 0.058 58.148 58.100 -0.017 0.000 1.276 397 Y CB 0.285 38.734 38.460 -0.019 0.000 1.196 397 Y HN -0.207 nan 8.280 nan 0.000 0.527 398 R N 0.759 121.229 120.500 -0.050 0.000 2.103 398 R HA -0.227 4.119 4.340 0.010 0.000 0.242 398 R C 1.986 178.165 176.300 -0.201 0.000 1.142 398 R CA 2.189 58.208 56.100 -0.135 0.000 0.960 398 R CB -0.142 30.145 30.300 -0.022 0.000 0.858 398 R HN 0.475 nan 8.270 nan 0.000 0.439 399 E N -0.519 119.600 120.200 -0.136 0.000 2.000 399 E HA -0.173 4.183 4.350 0.010 0.000 0.199 399 E C 1.661 178.172 176.600 -0.148 0.000 1.011 399 E CA 1.785 58.116 56.400 -0.114 0.000 0.836 399 E CB 0.066 29.727 29.700 -0.065 0.000 0.778 399 E HN 0.085 nan 8.360 nan 0.000 0.462 400 V N 0.912 120.734 119.914 -0.153 0.000 3.330 400 V HA -0.077 4.049 4.120 0.010 0.000 0.273 400 V C 0.888 176.856 176.094 -0.209 0.000 1.179 400 V CA 0.790 63.007 62.300 -0.139 0.000 1.174 400 V CB -1.367 30.407 31.823 -0.083 0.000 0.794 400 V HN 0.268 nan 8.190 nan 0.000 0.527 411 D N 0.303 120.700 120.400 -0.005 0.000 7.547 411 D HA -0.091 4.555 4.640 0.010 0.000 0.255 411 D C 0.522 176.819 176.300 -0.005 0.000 2.090 411 D CA 0.914 54.910 54.000 -0.005 0.000 1.914 411 D CB 0.288 41.085 40.800 -0.006 0.000 0.809 411 D HN 0.844 nan 8.370 nan 0.000 0.513 412 A N 3.968 126.784 122.820 -0.006 0.000 1.883 412 A HA 0.163 4.489 4.320 0.010 0.000 0.217 412 A C 2.382 179.961 177.584 -0.008 0.000 1.186 412 A CA 3.160 55.193 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 1.161 nan 8.150 nan 0.000 0.444 413 A N -0.063 122.753 122.820 -0.008 0.000 1.829 413 A HA -0.168 4.158 4.320 0.010 0.000 0.216 413 A C 2.465 180.048 177.584 -0.002 0.000 1.207 413 A CA 3.260 55.293 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 0.869 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 4.032 4.350 0.010 0.000 0.268 414 T C 1.876 176.585 174.700 0.014 0.000 1.036 414 T CA 1.960 64.063 62.100 0.006 0.000 1.148 414 T CB -0.553 68.314 68.868 -0.001 0.000 0.856 414 T HN 0.588 nan 8.240 nan 0.000 0.462 415 Q N 0.601 120.406 119.800 0.008 0.000 2.020 415 Q HA -0.190 4.156 4.340 0.010 0.000 0.202 415 Q C 2.732 178.740 176.000 0.014 0.000 0.982 415 Q CA 1.800 57.610 55.803 0.011 0.000 0.838 415 Q CB -0.256 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 0.761 120.562 119.800 0.001 0.000 2.061 416 Q HA -0.222 4.124 4.340 0.010 0.000 0.204 416 Q C 2.059 178.060 176.000 0.002 0.000 0.984 416 Q CA 1.471 57.268 55.803 -0.010 0.000 0.846 416 Q CB -0.293 28.432 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 -0.231 4.115 4.340 0.010 0.000 0.212 417 L C 2.722 179.666 176.870 0.123 0.000 1.073 417 L CA 1.125 55.996 54.840 0.051 0.000 0.753 417 L CB -0.629 41.463 42.059 0.055 0.000 0.890 417 L HN 0.265 nan 8.230 nan 0.000 0.432 418 L N -0.734 120.573 121.223 0.140 0.000 2.191 418 L HA -0.169 4.177 4.340 0.010 0.000 0.212 418 L C 2.613 179.568 176.870 0.142 0.000 1.103 418 L CA 0.847 55.839 54.840 0.254 0.000 0.769 418 L CB -0.296 41.849 42.059 0.145 0.000 0.908 418 L HN 0.240 nan 8.230 nan 0.000 0.438 419 S N -1.029 114.692 115.700 0.034 0.000 2.395 419 S HA -0.032 4.444 4.470 0.010 0.000 0.225 419 S C 2.015 176.551 174.600 -0.106 0.000 1.027 419 S CA 0.463 58.643 58.200 -0.033 0.000 0.965 419 S CB -0.040 63.140 63.200 -0.034 0.000 0.812 419 S HN 0.324 nan 8.310 nan 0.000 0.482 420 R N 1.229 121.662 120.500 -0.113 0.000 2.061 420 R HA -0.018 4.328 4.340 0.010 0.000 0.230 420 R C 2.693 178.812 176.300 -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 3.627 3.960 0.010 0.000 0.224 421 G HA3 -0.339 3.627 3.960 0.010 0.000 0.224 421 G C 1.499 175.737 174.900 -1.103 0.000 1.139 421 G CA 2.219 46.595 45.100 -1.207 0.000 0.761 421 G HN 0.372 nan 8.290 nan 0.000 0.621 422 V N -1.720 117.781 119.914 -0.688 0.000 2.667 422 V HA 0.033 4.159 4.120 0.010 0.000 0.252 422 V C 2.676 178.636 176.094 -0.222 0.000 1.065 422 V CA 1.829 63.933 62.300 -0.327 0.000 1.083 422 V CB -0.413 31.338 31.823 -0.120 0.000 0.692 422 V HN 0.239 nan 8.190 nan 0.000 0.468 423 R N 0.745 121.109 120.500 -0.227 0.000 2.052 423 R HA 0.207 4.553 4.340 0.010 0.000 0.226 423 R C 2.445 178.643 176.300 -0.171 0.000 1.145 423 R CA 1.489 57.483 56.100 -0.177 0.000 0.952 423 R CB -1.198 28.993 30.300 -0.182 0.000 0.847 423 R HN 0.470 nan 8.270 nan 0.000 0.431 424 L N 1.004 122.107 121.223 -0.200 0.000 2.051 424 L HA -0.227 4.119 4.340 0.010 0.000 0.214 424 L C 2.299 179.095 176.870 -0.124 0.000 1.076 424 L CA 1.930 56.677 54.840 -0.155 0.000 0.758 424 L CB -1.016 40.945 42.059 -0.163 0.000 0.890 424 L HN 0.249 nan 8.230 nan 0.000 0.433 425 T N -1.260 113.198 114.554 -0.159 0.000 2.881 425 T HA -0.125 4.231 4.350 0.010 0.000 0.270 425 T C 1.712 176.379 174.700 -0.055 0.000 1.068 425 T CA 0.945 62.992 62.100 -0.089 0.000 1.131 425 T CB -0.099 68.717 68.868 -0.086 0.000 0.871 425 T HN 0.330 nan 8.240 nan 0.000 0.479 426 E N 1.152 121.309 120.200 -0.071 0.000 2.158 426 E HA 0.094 4.450 4.350 0.010 0.000 0.191 426 E C 2.225 178.809 176.600 -0.028 0.000 0.982 426 E CA 0.431 56.806 56.400 -0.042 0.000 0.823 426 E CB -0.278 29.394 29.700 -0.048 0.000 0.766 426 E HN 0.479 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 4.258 4.340 0.010 0.000 0.215 427 L C 2.173 179.041 176.870 -0.003 0.000 1.119 427 L CA 0.685 55.512 54.840 -0.022 0.000 0.790 427 L CB -0.286 41.751 42.059 -0.037 0.000 0.919 427 L HN 0.090 nan 8.230 nan 0.000 0.443 428 L N -0.890 120.329 121.223 -0.007 0.000 2.567 428 L HA 0.055 4.401 4.340 0.010 0.000 0.225 428 L C 0.769 177.646 176.870 0.011 0.000 1.119 428 L CA 0.038 54.882 54.840 0.007 0.000 0.871 428 L CB -0.230 41.836 42.059 0.010 0.000 1.036 428 L HN 0.123 nan 8.230 nan 0.000 0.459 429 K N 1.885 122.287 120.400 0.004 0.000 2.326 429 K HA 0.274 4.599 4.320 0.010 0.000 0.275 429 K C -0.267 176.335 176.600 0.003 0.000 1.018 429 K CA 0.160 56.448 56.287 0.001 0.000 0.962 429 K CB 0.938 33.434 32.500 -0.007 0.000 0.953 429 K HN 0.091 nan 8.250 nan 0.000 0.475 430 Q N 0.351 120.149 119.800 -0.003 0.000 2.353 430 Q HA 0.283 4.629 4.340 0.010 0.000 0.275 430 Q C -0.569 175.418 176.000 -0.022 0.000 1.029 430 Q CA -0.566 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 1.015 109.803 108.800 -0.020 0.000 2.543 431 G HA2 0.339 4.305 3.960 0.010 0.000 0.290 431 G HA3 0.339 4.305 3.960 0.010 0.000 0.290 431 G C -0.495 174.357 174.900 -0.080 0.000 1.310 431 G CA -0.217 44.860 45.100 -0.038 0.000 1.025 431 G HN 0.474 nan 8.290 nan 0.000 0.502 432 Q N -1.409 118.300 119.800 -0.151 0.000 2.221 432 Q HA 0.350 4.696 4.340 0.010 0.000 0.242 432 Q C -0.827 175.006 176.000 -0.278 0.000 0.940 432 Q CA -0.553 55.005 55.803 -0.408 0.000 0.896 432 Q CB 1.096 29.322 28.738 -0.852 0.000 1.226 432 Q HN 0.532 nan 8.270 nan 0.000 0.463 433 Y N -1.279 119.027 120.300 0.010 0.000 4.409 433 Y HA -0.243 4.313 4.550 0.010 0.000 0.228 433 Y C 0.004 175.908 175.900 0.006 0.000 1.108 433 Y CA 0.591 58.694 58.100 0.005 0.000 1.955 433 Y CB -2.238 36.221 38.460 -0.002 0.000 1.615 433 Y HN 0.409 nan 8.280 nan 0.000 0.665 434 S N -0.047 115.703 115.700 0.082 0.000 2.399 434 S HA 0.342 4.818 4.470 0.010 0.000 0.198 434 S C -2.393 172.228 174.600 0.036 0.000 1.294 434 S CA -0.925 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 0.151 nan 4.420 nan 0.000 0.265 435 P C -0.328 176.985 177.300 0.021 0.000 1.193 435 P CA 0.210 63.330 63.100 0.032 0.000 0.765 435 P CB 0.371 32.100 31.700 0.048 0.000 0.823 436 M N 1.588 121.199 119.600 0.018 0.000 2.528 436 M HA 0.528 5.014 4.480 0.010 0.000 0.318 436 M C 0.399 176.699 176.300 0.000 0.000 1.195 436 M CA -0.956 54.348 55.300 0.006 0.000 1.000 436 M CB 1.597 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 1.549 124.355 122.820 -0.024 0.000 2.409 437 A HA 0.233 4.559 4.320 0.010 0.000 0.267 437 A C 0.965 178.544 177.584 -0.008 0.000 1.127 437 A CA -0.457 51.556 52.037 -0.041 0.000 0.795 437 A CB -0.043 18.913 19.000 -0.074 0.000 1.061 437 A HN 0.911 nan 8.150 nan 0.000 0.502 438 I N 1.788 122.368 120.570 0.017 0.000 2.182 438 I HA -0.321 3.855 4.170 0.010 0.000 0.248 438 I C 2.587 178.715 176.117 0.018 0.000 1.073 438 I CA 2.571 63.890 61.300 0.032 0.000 1.335 438 I CB -0.161 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 0.234 120.434 120.200 -0.001 0.000 2.204 439 E HA -0.243 4.113 4.350 0.010 0.000 0.194 439 E C 1.799 178.391 176.600 -0.014 0.000 0.989 439 E CA 1.503 57.897 56.400 -0.010 0.000 0.824 439 E CB -0.659 29.026 29.700 -0.026 0.000 0.756 439 E HN 0.665 nan 8.360 nan 0.000 0.477 440 E N 0.909 121.098 120.200 -0.018 0.000 2.072 440 E HA -0.141 4.215 4.350 0.010 0.000 0.190 440 E C 2.331 178.945 176.600 0.022 0.000 0.982 440 E CA 1.169 57.559 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 0.397 nan 8.360 nan 0.000 0.453 441 Q N 0.399 120.218 119.800 0.031 0.000 2.050 441 Q HA -0.151 4.195 4.340 0.010 0.000 0.202 441 Q C 2.526 178.567 176.000 0.069 0.000 0.980 441 Q CA 1.942 57.775 55.803 0.049 0.000 0.840 441 Q CB -0.243 28.519 28.738 0.041 0.000 0.898 441 Q HN 0.270 nan 8.270 nan 0.000 0.424 442 V N -0.134 119.818 119.914 0.063 0.000 2.490 442 V HA -0.232 3.894 4.120 0.010 0.000 0.250 442 V C 2.271 178.445 176.094 0.132 0.000 1.061 442 V CA 1.513 63.867 62.300 0.090 0.000 1.064 442 V CB -1.527 30.341 31.823 0.074 0.000 0.670 442 V HN 0.312 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 4.156 4.320 0.010 0.000 0.216 443 A C 2.528 180.277 177.584 0.274 0.000 1.203 443 A CA 3.149 55.261 52.037 0.124 0.000 0.621 443 A CB -1.196 17.826 19.000 0.036 0.000 0.841 443 A HN 0.995 nan 8.150 nan 0.000 0.446 444 V N -0.689 119.385 119.914 0.267 0.000 2.287 444 V HA -0.233 3.893 4.120 0.010 0.000 0.248 444 V C 2.160 178.343 176.094 0.148 0.000 1.053 444 V CA 2.203 64.657 62.300 0.257 0.000 1.027 444 V CB -0.926 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 -0.258 120.387 120.570 0.124 0.000 2.264 445 I HA -0.228 3.948 4.170 0.010 0.000 0.248 445 I C 2.563 178.743 176.117 0.104 0.000 1.111 445 I CA 2.508 63.856 61.300 0.080 0.000 1.382 445 I CB -1.597 36.443 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 -0.300 4.256 4.550 0.010 0.000 0.282 446 Y C 2.674 178.621 175.900 0.077 0.000 1.165 446 Y CA 2.034 60.171 58.100 0.061 0.000 1.148 446 Y CB -0.417 38.085 38.460 0.070 0.000 0.972 446 Y HN 0.134 nan 8.280 nan 0.000 0.504 447 A N 0.040 123.019 122.820 0.265 0.000 1.892 447 A HA -0.212 4.114 4.320 0.010 0.000 0.218 447 A C 2.479 180.053 177.584 -0.016 0.000 1.188 447 A CA 2.222 54.315 52.037 0.094 0.000 0.631 447 A CB -1.726 17.148 19.000 -0.210 0.000 0.822 447 A HN 0.626 nan 8.150 nan 0.000 0.447 448 G N -1.209 107.537 108.800 -0.090 0.000 2.396 448 G HA2 0.037 4.003 3.960 0.010 0.000 0.214 448 G HA3 0.037 4.003 3.960 0.010 0.000 0.214 448 G C 1.397 176.214 174.900 -0.139 0.000 1.166 448 G CA 1.009 46.024 45.100 -0.142 0.000 0.793 448 G HN 0.356 nan 8.290 nan 0.000 0.533 449 V N 0.811 120.653 119.914 -0.119 0.000 2.759 449 V HA -0.003 4.123 4.120 0.010 0.000 0.256 449 V C 2.637 178.612 176.094 -0.199 0.000 1.080 449 V CA 1.081 63.298 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 -0.157 120.193 120.500 -0.251 0.000 2.280 450 R HA 0.259 4.605 4.340 0.010 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 0.165 30.235 30.300 -0.383 0.000 0.964 450 R HN 0.559 nan 8.270 nan 0.000 0.489 451 G N -0.167 108.403 108.800 -0.385 0.000 2.218 451 G HA2 -0.288 3.678 3.960 0.010 0.000 0.216 451 G HA3 -0.288 3.678 3.960 0.010 0.000 0.216 451 G C 0.443 175.108 174.900 -0.391 0.000 0.994 451 G CA -0.045 44.822 45.100 -0.390 0.000 0.637 451 G HN 0.316 nan 8.290 nan 0.000 0.505 452 Y N 0.831 121.032 120.300 -0.165 0.000 2.797 452 Y HA 0.277 4.833 4.550 0.010 0.000 0.307 452 Y C 2.261 177.989 175.900 -0.287 0.000 1.168 452 Y CA 1.311 59.309 58.100 -0.169 0.000 1.388 452 Y CB -0.146 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 -1.992 119.097 121.223 -0.224 0.000 3.086 453 L HA 0.195 4.541 4.340 0.010 0.000 0.274 453 L C 0.826 177.571 176.870 -0.208 0.000 1.184 453 L CA -0.060 54.592 54.840 -0.313 0.000 1.002 453 L CB 0.284 42.079 42.059 -0.440 0.000 1.383 453 L HN -0.071 nan 8.230 nan 0.000 0.582 454 D N 1.409 121.704 120.400 -0.174 0.000 2.104 454 D HA -0.188 4.458 4.640 0.010 0.000 0.194 454 D C 1.889 178.130 176.300 -0.098 0.000 0.994 454 D CA 1.368 55.286 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 -0.645 119.704 120.400 -0.086 0.000 2.555 455 K HA 0.032 4.358 4.320 0.010 0.000 0.193 455 K C -0.159 176.421 176.600 -0.033 0.000 1.032 455 K CA -0.117 56.141 56.287 -0.048 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 4.665 4.340 0.010 0.000 0.268 456 L C -0.921 175.926 176.870 -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 3.621 123.819 120.200 -0.004 0.000 2.167 457 E HA 0.206 4.562 4.350 0.010 0.000 0.284 457 E C -1.751 174.846 176.600 -0.004 0.000 1.016 457 E CA -1.571 54.829 56.400 0.000 0.000 0.817 457 E CB 1.206 30.921 29.700 0.024 0.000 1.080 457 E HN 0.453 nan 8.360 nan 0.000 0.397 458 P HA -0.288 nan 4.420 nan 0.000 0.221 458 P C 1.294 178.593 177.300 -0.002 0.000 1.153 458 P CA 1.334 64.419 63.100 -0.026 0.000 0.858 458 P CB 0.223 31.909 31.700 -0.024 0.000 0.783 459 S N -1.953 113.758 115.700 0.019 0.000 2.481 459 S HA -0.058 4.418 4.470 0.010 0.000 0.231 459 S C 1.564 176.203 174.600 0.065 0.000 0.996 459 S CA 0.877 59.099 58.200 0.036 0.000 0.942 459 S CB -0.494 62.727 63.200 0.036 0.000 0.768 459 S HN -0.003 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 0.225 4.551 4.320 0.010 0.000 0.194 460 K C 1.732 178.413 176.600 0.134 0.000 1.031 460 K CA 0.048 56.429 56.287 0.156 0.000 1.037 460 K CB -0.314 32.325 32.500 0.233 0.000 0.824 460 K HN 0.388 nan 8.250 nan 0.000 0.516 461 I N 1.364 121.957 120.570 0.039 0.000 2.151 461 I HA -0.294 3.882 4.170 0.010 0.000 0.243 461 I C 1.859 178.019 176.117 0.071 0.000 1.080 461 I CA 1.582 62.879 61.300 -0.006 0.000 1.339 461 I CB -1.761 36.199 38.000 -0.065 0.000 1.039 461 I HN 0.105 nan 8.210 nan 0.000 0.409 462 T N 1.041 115.638 114.554 0.071 0.000 2.607 462 T HA -0.268 4.088 4.350 0.010 0.000 0.267 462 T C 1.986 176.763 174.700 0.129 0.000 1.049 462 T CA 1.961 64.110 62.100 0.082 0.000 1.162 462 T CB -0.325 68.581 68.868 0.063 0.000 0.863 462 T HN 0.320 nan 8.240 nan 0.000 0.424 463 K N -0.067 120.434 120.400 0.169 0.000 2.152 463 K HA -0.122 4.204 4.320 0.010 0.000 0.206 463 K C 2.121 178.896 176.600 0.292 0.000 1.048 463 K CA 1.200 57.632 56.287 0.242 0.000 0.933 463 K CB -0.299 32.381 32.500 0.300 0.000 0.721 463 K HN 0.358 nan 8.250 nan 0.000 0.447 464 F N 2.019 121.972 119.950 0.004 0.000 2.146 464 F HA -0.133 4.400 4.527 0.010 0.000 0.298 464 F C 2.214 177.937 175.800 -0.129 0.000 1.096 464 F CA 1.692 59.502 58.000 -0.317 0.000 1.275 464 F CB -0.264 38.452 39.000 -0.473 0.000 1.008 464 F HN 0.128 nan 8.300 nan 0.000 0.480 465 E N 0.377 120.720 120.200 0.237 0.000 2.033 465 E HA -0.310 4.046 4.350 0.010 0.000 0.199 465 E C 1.826 178.470 176.600 0.073 0.000 1.011 465 E CA 2.121 58.629 56.400 0.181 0.000 0.815 465 E CB -0.324 29.465 29.700 0.147 0.000 0.755 465 E HN 0.615 nan 8.360 nan 0.000 0.451 466 N N 0.481 119.224 118.700 0.072 0.000 2.084 466 N HA -0.176 4.570 4.740 0.010 0.000 0.190 466 N C 1.843 177.371 175.510 0.029 0.000 1.030 466 N CA 1.489 54.570 53.050 0.051 0.000 0.849 466 N CB -0.324 38.207 38.487 0.073 0.000 1.012 466 N HN 0.205 nan 8.380 nan 0.000 0.423 467 A N 0.609 123.474 122.820 0.075 0.000 1.902 467 A HA -0.143 4.183 4.320 0.010 0.000 0.217 467 A C 2.010 179.550 177.584 -0.073 0.000 1.181 467 A CA 1.223 53.356 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 -0.602 118.868 119.950 -0.800 0.000 2.367 468 F HA 0.057 4.589 4.527 0.010 0.000 0.298 468 F C 1.614 177.021 175.800 -0.655 0.000 1.094 468 F CA 0.982 58.033 58.000 -1.581 0.000 1.409 468 F CB -0.019 37.748 39.000 -2.056 0.000 1.064 468 F HN 0.165 nan 8.300 nan 0.000 0.528 469 L N 0.514 121.506 121.223 -0.385 0.000 2.068 469 L HA -0.054 4.292 4.340 0.010 0.000 0.204 469 L C 2.854 179.586 176.870 -0.230 0.000 1.076 469 L CA 2.105 56.762 54.840 -0.304 0.000 0.753 469 L CB -1.289 40.714 42.059 -0.093 0.000 0.910 469 L HN 0.347 nan 8.230 nan 0.000 0.439 470 S N -1.568 114.063 115.700 -0.116 0.000 2.383 470 S HA -0.313 4.163 4.470 0.010 0.000 0.229 470 S C 2.206 176.779 174.600 -0.045 0.000 1.030 470 S CA 1.426 59.595 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 1.652 120.631 119.070 -0.152 0.000 2.265 471 H HA -0.111 4.451 4.556 0.010 0.000 0.295 471 H C 2.352 177.608 175.328 -0.120 0.000 1.084 471 H CA 2.640 58.633 56.048 -0.092 0.000 1.261 471 H CB -0.461 29.259 29.762 -0.070 0.000 1.360 471 H HN 0.491 nan 8.280 nan 0.000 0.487 472 V N -0.719 119.014 119.914 -0.300 0.000 3.141 472 V HA -0.054 4.072 4.120 0.010 0.000 0.265 472 V C 2.380 178.378 176.094 -0.161 0.000 1.126 472 V CA 1.227 63.369 62.300 -0.263 0.000 1.141 472 V CB -0.690 30.845 31.823 -0.479 0.000 0.743 472 V HN 0.302 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 4.082 4.170 0.010 0.000 0.248 473 I C 2.828 178.883 176.117 -0.103 0.000 1.109 473 I CA 1.528 62.757 61.300 -0.119 0.000 1.425 473 I CB -0.293 37.645 38.000 -0.102 0.000 1.094 473 I HN 0.460 nan 8.210 nan 0.000 0.425 474 S N 0.437 116.073 115.700 -0.106 0.000 2.336 474 S HA -0.191 4.285 4.470 0.010 0.000 0.214 474 S C 2.098 176.611 174.600 -0.146 0.000 1.032 474 S CA 1.133 59.271 58.200 -0.103 0.000 1.001 474 S CB -0.193 62.958 63.200 -0.082 0.000 0.953 474 S HN 0.291 nan 8.310 nan 0.000 0.430 475 Q N 0.426 120.104 119.800 -0.203 0.000 2.083 475 Q HA 0.016 4.362 4.340 0.010 0.000 0.198 475 Q C 0.520 176.233 176.000 -0.479 0.000 0.969 475 Q CA 1.343 56.945 55.803 -0.335 0.000 0.838 475 Q CB -0.497 27.987 28.738 -0.422 0.000 0.900 475 Q HN 0.792 nan 8.270 nan 0.000 0.436 476 H N 0.307 119.247 119.070 -0.217 0.000 2.476 476 H HA 0.215 4.777 4.556 0.010 0.000 0.256 476 H C 0.851 176.094 175.328 -0.140 0.000 1.321 476 H CA -0.158 55.789 56.048 -0.168 0.000 1.056 476 H CB 0.373 30.026 29.762 -0.182 0.000 1.643 476 H HN 0.085 nan 8.280 nan 0.000 0.541 477 Q N 0.433 120.191 119.800 -0.071 0.000 2.364 477 Q HA -0.074 4.272 4.340 0.010 0.000 0.209 477 Q C 2.079 178.049 176.000 -0.049 0.000 0.977 477 Q CA 0.903 56.669 55.803 -0.063 0.000 0.885 477 Q CB 0.152 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 1.026 123.818 122.820 -0.047 0.000 1.933 478 A HA -0.127 4.199 4.320 0.010 0.000 0.218 478 A C 1.963 179.535 177.584 -0.019 0.000 1.175 478 A CA 0.902 52.917 52.037 -0.036 0.000 0.628 478 A CB -0.379 18.594 19.000 -0.045 0.000 0.814 478 A HN 0.356 nan 8.150 nan 0.000 0.444 479 L N -0.586 120.636 121.223 -0.002 0.000 2.168 479 L HA 0.070 4.416 4.340 0.010 0.000 0.203 479 L C 2.233 179.079 176.870 -0.039 0.000 1.078 479 L CA 1.205 56.034 54.840 -0.018 0.000 0.780 479 L CB -0.772 41.275 42.059 -0.020 0.000 0.939 479 L HN 0.404 nan 8.230 nan 0.000 0.451 480 L N 0.867 122.063 121.223 -0.044 0.000 1.971 480 L HA -0.242 4.104 4.340 0.010 0.000 0.215 480 L C 3.075 179.918 176.870 -0.044 0.000 1.072 480 L CA 1.949 56.757 54.840 -0.055 0.000 0.758 480 L CB -1.297 40.723 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 4.199 4.470 0.010 0.000 0.232 481 S C 1.971 176.555 174.600 -0.028 0.000 1.041 481 S CA 2.275 60.453 58.200 -0.037 0.000 1.026 481 S CB -0.480 nan 63.200 nan 0.000 0.845 481 S HN 0.460 nan 8.310 nan 0.000 0.465 482 K N 0.676 121.061 120.400 -0.025 0.000 1.985 482 K HA 0.072 4.398 4.320 0.010 0.000 0.210 482 K C 1.887 178.478 176.600 -0.016 0.000 1.047 482 K CA 1.368 57.644 56.287 -0.018 0.000 0.932 482 K CB -0.558 31.932 32.500 -0.017 0.000 0.716 482 K HN 0.430 nan 8.250 nan 0.000 0.439 483 I N 1.581 122.139 120.570 -0.021 0.000 2.091 483 I HA -0.390 3.786 4.170 0.010 0.000 0.240 483 I C 2.964 179.076 176.117 -0.008 0.000 1.046 483 I CA 1.594 62.885 61.300 -0.016 0.000 1.306 483 I CB -0.364 37.620 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 4.170 4.340 0.010 0.000 0.237 484 R C 2.142 178.439 176.300 -0.005 0.000 1.137 484 R CA 2.551 58.644 56.100 -0.011 0.000 0.951 484 R CB -0.869 29.415 30.300 -0.026 0.000 0.851 484 R HN 0.300 nan 8.270 nan 0.000 0.434 485 T N 1.268 115.816 114.554 -0.009 0.000 2.698 485 T HA -0.083 4.273 4.350 0.010 0.000 0.260 485 T C 1.196 175.896 174.700 0.001 0.000 1.044 485 T CA 1.609 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 0.399 120.799 120.400 -0.000 0.000 2.126 486 D HA -0.041 4.605 4.640 0.010 0.000 0.190 486 D C 1.713 178.018 176.300 0.008 0.000 1.001 486 D CA 1.875 55.878 54.000 0.004 0.000 0.841 486 D CB -0.553 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 -0.331 108.474 108.800 0.009 0.000 2.175 487 G HA2 -0.290 3.676 3.960 0.010 0.000 0.244 487 G HA3 -0.290 3.676 3.960 0.010 0.000 0.244 487 G C 0.396 175.306 174.900 0.017 0.000 0.982 487 G CA 0.546 45.654 45.100 0.014 0.000 0.641 487 G HN 0.571 nan 8.290 nan 0.000 0.527 488 K N -0.676 119.734 120.400 0.017 0.000 2.430 488 K HA 0.782 5.108 4.320 0.010 0.000 0.268 488 K C -1.029 175.585 176.600 0.023 0.000 1.043 488 K CA -1.246 55.055 56.287 0.022 0.000 0.899 488 K CB 1.235 33.748 32.500 0.021 0.000 1.472 488 K HN 0.065 nan 8.250 nan 0.000 0.451 489 I N 3.021 123.612 120.570 0.034 0.000 2.412 489 I HA 0.140 4.316 4.170 0.010 0.000 0.279 489 I C -0.190 175.949 176.117 0.037 0.000 1.063 489 I CA -0.551 60.771 61.300 0.037 0.000 1.193 489 I CB 1.395 39.436 38.000 0.068 0.000 1.370 489 I HN 0.546 nan 8.210 nan 0.000 0.479 490 S N 3.594 119.307 115.700 0.023 0.000 2.589 490 S HA 0.156 4.632 4.470 0.010 0.000 0.265 490 S C 1.129 175.746 174.600 0.028 0.000 1.342 490 S CA -0.695 57.519 58.200 0.023 0.000 1.005 490 S CB 1.149 64.358 63.200 0.014 0.000 0.909 490 S HN 0.566 nan 8.310 nan 0.000 0.555 491 E N 0.561 120.779 120.200 0.030 0.000 2.130 491 E HA -0.221 4.135 4.350 0.010 0.000 0.196 491 E C 1.799 178.418 176.600 0.031 0.000 0.998 491 E CA 1.163 57.584 56.400 0.036 0.000 0.806 491 E CB -0.065 29.654 29.700 0.032 0.000 0.738 491 E HN 0.675 nan 8.360 nan 0.000 0.459 492 E N 0.548 120.760 120.200 0.019 0.000 2.046 492 E HA -0.079 4.277 4.350 0.010 0.000 0.190 492 E C 2.198 178.799 176.600 0.001 0.000 0.982 492 E CA 0.588 56.995 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 1.007 116.704 115.700 -0.006 0.000 2.359 493 S HA -0.209 4.267 4.470 0.010 0.000 0.224 493 S C 1.671 176.237 174.600 -0.056 0.000 1.035 493 S CA 1.678 59.859 58.200 -0.031 0.000 1.018 493 S CB -0.369 62.815 63.200 -0.026 0.000 0.876 493 S HN 0.403 nan 8.310 nan 0.000 0.448 494 D N 1.168 121.561 120.400 -0.011 0.000 2.117 494 D HA -0.029 4.617 4.640 0.010 0.000 0.198 494 D C 1.940 178.255 176.300 0.026 0.000 0.982 494 D CA 1.248 55.259 54.000 0.018 0.000 0.828 494 D CB -0.304 40.571 40.800 0.124 0.000 0.967 494 D HN 0.307 nan 8.370 nan 0.000 0.464 495 A N 0.464 123.305 122.820 0.035 0.000 1.902 495 A HA -0.198 4.128 4.320 0.010 0.000 0.217 495 A C 2.178 179.767 177.584 0.009 0.000 1.181 495 A CA 1.888 53.950 52.037 0.043 0.000 0.623 495 A CB -0.757 18.265 19.000 0.038 0.000 0.818 495 A HN 0.290 nan 8.150 nan 0.000 0.443 496 K N -0.922 119.466 120.400 -0.021 0.000 2.057 496 K HA -0.122 4.204 4.320 0.010 0.000 0.207 496 K C 1.896 178.433 176.600 -0.104 0.000 1.049 496 K CA 1.450 57.713 56.287 -0.040 0.000 0.931 496 K CB -0.292 32.188 32.500 -0.034 0.000 0.714 496 K HN 0.298 nan 8.250 nan 0.000 0.440 497 L N 2.031 123.144 121.223 -0.182 0.000 2.017 497 L HA -0.181 4.165 4.340 0.010 0.000 0.208 497 L C 2.367 179.059 176.870 -0.297 0.000 1.073 497 L CA 1.865 56.502 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 0.175 nan 8.230 nan 0.000 0.432 498 K N -0.538 119.765 120.400 -0.160 0.000 2.059 498 K HA -0.302 4.024 4.320 0.010 0.000 0.212 498 K C 2.144 178.699 176.600 -0.075 0.000 1.050 498 K CA 2.232 58.508 56.287 -0.020 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 4.195 4.350 0.010 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 0.029 0.000 0.750 499 E HN 0.401 nan 8.360 nan 0.000 0.458 500 I N 0.857 121.398 120.570 -0.048 0.000 2.208 500 I HA -0.268 3.908 4.170 0.010 0.000 0.245 500 I C 2.549 178.724 176.117 0.096 0.000 1.097 500 I CA 1.121 62.400 61.300 -0.037 0.000 1.363 500 I CB -0.388 37.472 38.000 -0.233 0.000 1.051 500 I HN 0.137 nan 8.210 nan 0.000 0.413 501 V N -2.689 117.221 119.914 -0.005 0.000 2.453 501 V HA -0.185 3.941 4.120 0.010 0.000 0.247 501 V C 2.307 178.435 176.094 0.056 0.000 1.048 501 V CA 2.014 64.322 62.300 0.013 0.000 1.049 501 V CB -1.446 30.125 31.823 -0.420 0.000 0.672 501 V HN 0.325 nan 8.190 nan 0.000 0.457 502 T N 1.717 116.258 114.554 -0.021 0.000 2.570 502 T HA -0.260 4.096 4.350 0.010 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 -0.679 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 0.089 118.868 118.700 0.132 0.000 2.058 503 N HA -0.037 4.709 4.740 0.010 0.000 0.191 503 N C 1.695 177.285 175.510 0.133 0.000 1.037 503 N CA 1.066 54.191 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 1.888 121.862 119.950 0.040 0.000 2.115 504 F HA -0.240 4.293 4.527 0.010 0.000 0.300 504 F C 2.009 177.845 175.800 0.060 0.000 1.092 504 F CA 1.197 59.167 58.000 -0.050 0.000 1.245 504 F CB -0.200 38.753 39.000 -0.078 0.000 0.995 504 F HN 0.020 nan 8.300 nan 0.000 0.481 505 L N 0.510 121.936 121.223 0.339 0.000 1.955 505 L HA -0.242 4.104 4.340 0.010 0.000 0.213 505 L C 2.789 179.764 176.870 0.176 0.000 1.072 505 L CA 2.201 57.234 54.840 0.323 0.000 0.755 505 L CB -2.050 40.179 42.059 0.282 0.000 0.888 505 L HN 0.294 nan 8.230 nan 0.000 0.432 506 A N -0.836 122.057 122.820 0.121 0.000 2.093 506 A HA -0.173 4.153 4.320 0.010 0.000 0.222 506 A C 2.099 179.694 177.584 0.019 0.000 1.162 506 A CA 1.856 53.936 52.037 0.071 0.000 0.655 506 A CB -0.915 18.123 19.000 0.064 0.000 0.805 506 A HN 0.562 nan 8.150 nan 0.000 0.461 507 G N -2.791 105.981 108.800 -0.046 0.000 3.044 507 G HA2 0.326 4.292 3.960 0.010 0.000 0.223 507 G HA3 0.326 4.292 3.960 0.010 0.000 0.223 507 G C 0.148 174.958 174.900 -0.151 0.000 1.123 507 G CA -0.342 44.688 45.100 -0.117 0.000 0.765 507 G HN 0.291 nan 8.290 nan 0.000 0.546 508 F N 2.439 122.227 119.950 -0.269 0.000 2.571 508 F HA 0.343 4.876 4.527 0.010 0.000 0.384 508 F C 0.623 176.376 175.800 -0.078 0.000 1.058 508 F CA -1.193 56.680 58.000 -0.212 0.000 1.200 508 F CB 0.859 39.848 39.000 -0.019 0.000 1.077 508 F HN 0.067 nan 8.300 nan 0.000 0.558 509 E N 5.366 125.130 120.200 -0.726 0.000 2.259 509 E HA 0.491 4.847 4.350 0.010 0.000 0.281 509 E C -0.304 175.951 176.600 -0.575 0.000 1.037 509 E CA -0.451 55.649 56.400 -0.500 0.000 0.854 509 E CB 0.972 30.440 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 -0.216 0.000 2.254 510 A HA 0.000 4.326 4.320 0.010 0.000 0.244 510 A CA 0.000 51.994 52.037 -0.072 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