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 2w6i_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 2.665 123.866 121.223 -0.038 0.000 2.653 25 L HA 0.216 4.561 4.340 0.009 0.000 0.231 25 L C 1.579 178.402 176.870 -0.078 0.000 1.153 25 L CA 0.048 54.843 54.840 -0.076 0.000 0.933 25 L CB 0.312 42.309 42.059 -0.104 0.000 1.175 25 L HN 0.330 nan 8.230 nan 0.000 0.473 26 E N 0.210 120.378 120.200 -0.052 0.000 2.166 26 E HA -0.006 4.349 4.350 0.009 0.000 0.192 26 E C 1.035 177.607 176.600 -0.045 0.000 0.967 26 E CA 0.722 57.094 56.400 -0.046 0.000 0.840 26 E CB 0.543 30.224 29.700 -0.032 0.000 0.795 26 E HN 0.402 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 0.169 4.524 4.350 0.009 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 1.454 31.134 29.700 -0.032 0.000 1.048 27 E HN -0.010 nan 8.360 nan 0.000 0.488 28 T N -0.258 114.264 114.554 -0.053 0.000 2.887 28 T HA 0.725 5.080 4.350 0.009 0.000 0.292 28 T C -0.160 174.502 174.700 -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 0.110 nan 8.240 nan 0.000 0.518 29 G N 0.411 109.181 108.800 -0.051 0.000 2.718 29 G HA2 0.637 4.602 3.960 0.009 0.000 0.295 29 G HA3 0.637 4.602 3.960 0.009 0.000 0.295 29 G C -1.735 173.177 174.900 0.020 0.000 1.421 29 G CA -0.828 44.251 45.100 -0.035 0.000 0.902 29 G HN 0.542 nan 8.290 nan 0.000 0.501 30 R N 0.528 121.072 120.500 0.074 0.000 2.445 30 R HA 0.489 4.834 4.340 0.009 0.000 0.308 30 R C -0.318 176.053 176.300 0.120 0.000 0.961 30 R CA -0.729 55.428 56.100 0.095 0.000 0.862 30 R CB 2.427 32.785 30.300 0.097 0.000 1.144 30 R HN 0.341 nan 8.270 nan 0.000 0.447 31 V N 5.120 125.108 119.914 0.122 0.000 2.599 31 V HA -0.066 4.059 4.120 0.009 0.000 0.300 31 V C 1.624 177.772 176.094 0.089 0.000 1.034 31 V CA 0.573 62.949 62.300 0.128 0.000 1.115 31 V CB 0.499 32.403 31.823 0.136 0.000 0.934 31 V HN 0.743 nan 8.190 nan 0.000 0.485 32 L N 3.631 124.903 121.223 0.082 0.000 2.298 32 L HA 0.179 4.524 4.340 0.009 0.000 0.209 32 L C 0.749 177.636 176.870 0.028 0.000 1.084 32 L CA 0.863 55.731 54.840 0.047 0.000 0.816 32 L CB 0.253 42.338 42.059 0.044 0.000 0.967 32 L HN 0.878 nan 8.230 nan 0.000 0.460 33 S N -0.849 114.870 115.700 0.032 0.000 2.579 33 S HA 0.471 4.947 4.470 0.009 0.000 0.290 33 S C -1.224 173.379 174.600 0.005 0.000 1.123 33 S CA -0.872 57.335 58.200 0.013 0.000 0.894 33 S CB 1.762 64.966 63.200 0.006 0.000 1.095 33 S HN -0.016 nan 8.310 nan 0.000 0.450 34 I N 1.617 122.178 120.570 -0.014 0.000 2.530 34 I HA 0.975 5.150 4.170 0.009 0.000 0.297 34 I C -0.023 176.071 176.117 -0.038 0.000 1.011 34 I CA 0.136 61.412 61.300 -0.040 0.000 1.107 34 I CB 1.576 39.532 38.000 -0.074 0.000 1.285 34 I HN 1.434 nan 8.210 nan 0.000 0.436 35 G N 4.856 113.629 108.800 -0.045 0.000 2.380 35 G HA2 0.313 4.278 3.960 0.009 0.000 0.305 35 G HA3 0.313 4.278 3.960 0.009 0.000 0.305 35 G C -1.129 173.747 174.900 -0.040 0.000 1.672 35 G CA -0.548 44.529 45.100 -0.038 0.000 0.904 35 G HN 0.720 nan 8.290 nan 0.000 0.686 36 D N 0.126 120.502 120.400 -0.039 0.000 2.772 36 D HA -0.179 4.466 4.640 0.009 0.000 0.233 36 D C 1.630 177.901 176.300 -0.047 0.000 1.143 36 D CA 2.640 56.616 54.000 -0.039 0.000 0.700 36 D CB -1.079 39.699 40.800 -0.037 0.000 1.076 36 D HN 2.293 nan 8.370 nan 0.000 0.430 37 G N -0.286 108.480 108.800 -0.057 0.000 2.296 37 G HA2 -0.305 3.660 3.960 0.009 0.000 0.282 37 G HA3 -0.305 3.660 3.960 0.009 0.000 0.282 37 G C 0.286 175.138 174.900 -0.079 0.000 1.014 37 G CA 0.479 45.535 45.100 -0.073 0.000 0.812 37 G HN 0.534 nan 8.290 nan 0.000 0.508 38 I N 0.655 121.187 120.570 -0.063 0.000 2.439 38 I HA 0.579 4.754 4.170 0.009 0.000 0.283 38 I C 0.443 176.542 176.117 -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 8.035 130.849 122.820 -0.010 0.000 2.290 39 A HA 0.666 4.991 4.320 0.009 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 0.621 19.649 19.000 0.047 0.000 1.139 39 A HN 0.567 nan 8.150 nan 0.000 0.509 40 R N 2.578 123.113 120.500 0.059 0.000 2.233 40 R HA 0.359 4.705 4.340 0.009 0.000 0.334 40 R C -0.813 175.542 176.300 0.091 0.000 1.037 40 R CA -0.289 55.849 56.100 0.064 0.000 0.920 40 R CB 0.663 30.988 30.300 0.042 0.000 1.137 40 R HN 0.480 nan 8.270 nan 0.000 0.492 41 V N 2.760 122.735 119.914 0.103 0.000 2.686 41 V HA 0.126 4.252 4.120 0.009 0.000 0.295 41 V C 0.173 176.338 176.094 0.118 0.000 1.057 41 V CA -0.687 61.679 62.300 0.110 0.000 1.012 41 V CB 1.265 33.136 31.823 0.079 0.000 1.006 41 V HN 0.616 nan 8.190 nan 0.000 0.477 42 H N 1.871 120.956 119.070 0.025 0.000 2.476 42 H HA 0.682 5.242 4.556 0.008 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 0.952 30.723 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 0.009 0.000 0.209 43 G HA3 -0.171 3.795 3.960 0.009 0.000 0.209 43 G C -0.236 174.555 174.900 -0.182 0.000 1.176 43 G CA -0.465 44.396 45.100 -0.399 0.000 1.074 43 G HN 1.206 nan 8.290 nan 0.000 0.577 44 L N -0.524 120.624 121.223 -0.125 0.000 3.678 44 L HA -0.225 4.120 4.340 0.009 0.000 0.425 44 L C 2.017 178.844 176.870 -0.072 0.000 1.240 44 L CA 1.069 55.859 54.840 -0.084 0.000 0.876 44 L CB -0.786 41.230 42.059 -0.072 0.000 1.766 44 L HN 0.680 nan 8.230 nan 0.000 0.917 45 R N -0.505 119.947 120.500 -0.079 0.000 2.293 45 R HA -0.095 4.250 4.340 0.009 0.000 0.219 45 R C 1.427 177.704 176.300 -0.039 0.000 1.091 45 R CA 1.290 57.354 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 -0.319 118.358 118.700 -0.038 0.000 2.205 46 N HA 0.029 4.774 4.740 0.009 0.000 0.201 46 N C -0.287 175.208 175.510 -0.024 0.000 1.128 46 N CA 0.056 53.090 53.050 -0.027 0.000 0.867 46 N CB 0.643 39.115 38.487 -0.026 0.000 0.996 46 N HN -0.054 nan 8.380 nan 0.000 0.503 47 V N 0.346 120.243 119.914 -0.028 0.000 2.901 47 V HA 0.034 4.159 4.120 0.009 0.000 0.307 47 V C 0.597 176.684 176.094 -0.010 0.000 1.084 47 V CA -0.358 61.929 62.300 -0.021 0.000 1.184 47 V CB 0.225 32.034 31.823 -0.022 0.000 0.941 47 V HN 0.095 nan 8.190 nan 0.000 0.493 48 Q N 1.712 121.509 119.800 -0.004 0.000 2.193 48 Q HA 0.704 5.049 4.340 0.009 0.000 0.246 48 Q C 0.097 176.103 176.000 0.009 0.000 0.959 48 Q CA -0.514 55.290 55.803 0.002 0.000 0.904 48 Q CB 1.410 30.150 28.738 0.003 0.000 1.238 48 Q HN 1.070 nan 8.270 nan 0.000 0.469 49 A N 1.269 124.097 122.820 0.013 0.000 2.450 49 A HA 0.159 4.484 4.320 0.009 0.000 0.255 49 A C -0.124 177.477 177.584 0.028 0.000 1.096 49 A CA 0.110 52.160 52.037 0.021 0.000 0.778 49 A CB -0.223 18.790 19.000 0.022 0.000 1.031 49 A HN 0.918 nan 8.150 nan 0.000 0.494 50 E N -0.558 119.666 120.200 0.040 0.000 3.303 50 E HA -0.176 4.179 4.350 0.009 0.000 0.302 50 E C 0.085 176.720 176.600 0.057 0.000 0.902 50 E CA 1.137 57.570 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 0.493 120.720 120.200 0.045 0.000 2.313 51 E HA 0.270 4.625 4.350 0.009 0.000 0.272 51 E C 0.101 176.737 176.600 0.059 0.000 1.038 51 E CA -0.619 55.803 56.400 0.037 0.000 0.863 51 E CB 0.737 30.446 29.700 0.014 0.000 1.060 51 E HN -0.038 nan 8.360 nan 0.000 0.402 52 M N 3.623 123.259 119.600 0.061 0.000 2.228 52 M HA 0.131 4.616 4.480 0.009 0.000 0.351 52 M C -0.201 176.117 176.300 0.030 0.000 1.233 52 M CA -0.076 55.277 55.300 0.088 0.000 1.129 52 M CB 0.759 33.395 32.600 0.061 0.000 1.604 52 M HN 0.500 nan 8.290 nan 0.000 0.457 53 V N 1.480 121.398 119.914 0.007 0.000 3.158 53 V HA 0.707 4.832 4.120 0.009 0.000 0.311 53 V C -0.725 175.266 176.094 -0.172 0.000 1.181 53 V CA -0.862 61.369 62.300 -0.115 0.000 1.054 53 V CB 2.517 34.226 31.823 -0.191 0.000 1.085 53 V HN 0.816 nan 8.190 nan 0.000 0.446 54 E N 0.619 120.662 120.200 -0.261 0.000 2.248 54 E HA 0.543 4.898 4.350 0.009 0.000 0.267 54 E C -1.866 174.524 176.600 -0.349 0.000 0.877 54 E CA -0.411 55.869 56.400 -0.199 0.000 0.759 54 E CB 2.530 32.193 29.700 -0.063 0.000 1.182 54 E HN 0.629 nan 8.360 nan 0.000 0.418 55 F N 0.599 120.573 119.950 0.039 0.000 2.377 55 F HA 0.114 4.649 4.527 0.013 0.000 0.328 55 F C 1.867 177.683 175.800 0.027 0.000 1.094 55 F CA -0.191 57.828 58.000 0.031 0.000 1.093 55 F CB 1.370 40.389 39.000 0.032 0.000 1.214 55 F HN 0.433 nan 8.300 nan 0.000 0.518 56 S N 0.434 116.252 115.700 0.197 0.000 2.409 56 S HA -0.239 4.237 4.470 0.009 0.000 0.237 56 S C 1.668 176.334 174.600 0.110 0.000 1.060 56 S CA 1.956 60.226 58.200 0.116 0.000 1.052 56 S CB -0.544 62.717 63.200 0.100 0.000 0.871 56 S HN 0.690 nan 8.310 nan 0.000 0.465 57 S N 0.377 116.160 115.700 0.140 0.000 2.743 57 S HA 0.429 4.904 4.470 0.009 0.000 0.230 57 S C 1.256 175.922 174.600 0.109 0.000 0.950 57 S CA 0.320 58.581 58.200 0.102 0.000 0.976 57 S CB -0.256 62.992 63.200 0.081 0.000 0.779 57 S HN 0.760 nan 8.310 nan 0.000 0.487 58 G N 0.547 109.420 108.800 0.121 0.000 2.233 58 G HA2 -0.259 3.706 3.960 0.009 0.000 0.270 58 G HA3 -0.259 3.706 3.960 0.009 0.000 0.270 58 G C -0.096 174.892 174.900 0.146 0.000 1.011 58 G CA 0.417 45.581 45.100 0.108 0.000 0.762 58 G HN 0.539 nan 8.290 nan 0.000 0.511 59 L N -0.332 121.025 121.223 0.223 0.000 2.421 59 L HA 0.744 5.090 4.340 0.009 0.000 0.263 59 L C 0.596 177.710 176.870 0.407 0.000 1.122 59 L CA -0.355 54.639 54.840 0.257 0.000 0.804 59 L CB 1.072 43.235 42.059 0.172 0.000 1.150 59 L HN 0.199 nan 8.230 nan 0.000 0.457 60 K N 0.311 120.943 120.400 0.387 0.000 2.221 60 K HA 0.826 5.151 4.320 0.009 0.000 0.243 60 K C -0.679 176.269 176.600 0.580 0.000 0.968 60 K CA -0.692 55.852 56.287 0.429 0.000 0.846 60 K CB 1.871 34.561 32.500 0.317 0.000 1.141 60 K HN 0.800 nan 8.250 nan 0.000 0.434 61 G N 0.658 109.752 108.800 0.490 0.000 2.684 61 G HA2 0.516 4.482 3.960 0.009 0.000 0.290 61 G HA3 0.516 4.482 3.960 0.009 0.000 0.290 61 G C -1.820 173.229 174.900 0.248 0.000 1.425 61 G CA -0.779 44.500 45.100 0.298 0.000 0.822 61 G HN 0.526 nan 8.290 nan 0.000 0.482 62 M N 1.111 120.736 119.600 0.042 0.000 2.243 62 M HA 0.573 5.058 4.480 0.009 0.000 0.324 62 M C -0.503 175.834 176.300 0.061 0.000 1.031 62 M CA -0.494 54.892 55.300 0.145 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 4.593 4.470 0.009 0.000 0.292 63 S C 0.551 175.176 174.600 0.042 0.000 1.183 63 S CA -0.499 57.724 58.200 0.038 0.000 1.088 63 S CB 0.504 63.718 63.200 0.023 0.000 1.018 63 S HN 0.722 nan 8.310 nan 0.000 0.511 64 L N 5.173 126.417 121.223 0.035 0.000 2.187 64 L HA 0.328 4.674 4.340 0.009 0.000 0.197 64 L C 0.103 176.992 176.870 0.031 0.000 1.090 64 L CA 1.432 56.294 54.840 0.037 0.000 0.781 64 L CB -0.177 41.897 42.059 0.025 0.000 0.956 64 L HN 0.472 nan 8.230 nan 0.000 0.463 65 N N -0.109 118.605 118.700 0.024 0.000 2.408 65 N HA 0.472 5.218 4.740 0.009 0.000 0.280 65 N C -1.355 174.167 175.510 0.019 0.000 1.002 65 N CA -0.153 52.910 53.050 0.021 0.000 0.907 65 N CB 1.185 39.683 38.487 0.018 0.000 1.161 65 N HN 0.045 nan 8.380 nan 0.000 0.488 66 L N 2.149 123.383 121.223 0.017 0.000 2.297 66 L HA 0.374 4.720 4.340 0.009 0.000 0.277 66 L C 0.017 176.895 176.870 0.013 0.000 1.040 66 L CA -0.377 54.471 54.840 0.013 0.000 0.867 66 L CB 0.372 42.436 42.059 0.010 0.000 1.244 66 L HN 0.457 nan 8.230 nan 0.000 0.433 67 E N 3.282 123.491 120.200 0.015 0.000 2.222 67 E HA 0.269 4.624 4.350 0.009 0.000 0.272 67 E C -1.621 174.990 176.600 0.018 0.000 0.982 67 E CA -1.864 54.547 56.400 0.017 0.000 0.842 67 E CB 1.487 31.199 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 0.223 68 P C -0.534 176.784 177.300 0.029 0.000 1.140 68 P CA 1.433 64.544 63.100 0.019 0.000 0.783 68 P CB 0.059 31.770 31.700 0.018 0.000 0.759 69 D N -3.405 117.020 120.400 0.041 0.000 2.969 69 D HA 0.149 4.794 4.640 0.009 0.000 0.317 69 D C -0.417 175.947 176.300 0.107 0.000 1.650 69 D CA -0.666 53.379 54.000 0.074 0.000 0.789 69 D CB -1.186 39.659 40.800 0.075 0.000 1.277 69 D HN 0.250 nan 8.370 nan 0.000 0.463 70 N N -1.823 116.918 118.700 0.067 0.000 4.310 70 N HA 0.336 5.081 4.740 0.009 0.000 0.212 70 N C -2.240 173.292 175.510 0.037 0.000 1.277 70 N CA -0.947 52.146 53.050 0.072 0.000 0.854 70 N CB 0.873 39.412 38.487 0.086 0.000 1.480 70 N HN -0.118 nan 8.380 nan 0.000 0.489 71 V N 0.211 120.146 119.914 0.036 0.000 2.409 71 V HA 0.799 4.924 4.120 0.009 0.000 0.291 71 V C 0.684 176.800 176.094 0.038 0.000 1.020 71 V CA -0.368 61.948 62.300 0.026 0.000 0.848 71 V CB 1.258 33.088 31.823 0.011 0.000 0.990 71 V HN 0.906 nan 8.190 nan 0.000 0.430 72 G N 3.880 112.699 108.800 0.031 0.000 2.351 72 G HA2 0.499 4.464 3.960 0.009 0.000 0.287 72 G HA3 0.499 4.464 3.960 0.009 0.000 0.287 72 G C -0.630 174.291 174.900 0.035 0.000 1.159 72 G CA -0.134 44.984 45.100 0.031 0.000 0.929 72 G HN 0.514 nan 8.290 nan 0.000 0.435 73 V N 3.110 123.058 119.914 0.058 0.000 2.581 73 V HA 0.306 4.431 4.120 0.009 0.000 0.303 73 V C 0.056 176.162 176.094 0.020 0.000 1.041 73 V CA -0.683 61.660 62.300 0.072 0.000 0.907 73 V CB 2.070 34.002 31.823 0.182 0.000 0.994 73 V HN 0.478 nan 8.190 nan 0.000 0.442 74 V N 5.556 125.432 119.914 -0.062 0.000 2.348 74 V HA 0.244 4.370 4.120 0.009 0.000 0.270 74 V C 0.100 175.991 176.094 -0.337 0.000 1.037 74 V CA -0.431 61.756 62.300 -0.189 0.000 0.872 74 V CB 1.524 33.210 31.823 -0.227 0.000 1.002 74 V HN 0.617 nan 8.190 nan 0.000 0.464 75 V N 6.443 126.217 119.914 -0.233 0.000 2.470 75 V HA 0.171 4.297 4.120 0.009 0.000 0.276 75 V C 0.363 176.333 176.094 -0.207 0.000 1.040 75 V CA -0.010 62.168 62.300 -0.203 0.000 1.008 75 V CB 0.475 32.151 31.823 -0.246 0.000 0.990 75 V HN 0.717 nan 8.190 nan 0.000 0.477 76 F N 4.516 124.526 119.950 0.099 0.000 2.783 76 F HA 0.572 5.101 4.527 0.004 0.000 0.338 76 F C 1.141 176.976 175.800 0.058 0.000 1.178 76 F CA 0.241 58.294 58.000 0.089 0.000 1.343 76 F CB -0.106 38.953 39.000 0.099 0.000 1.496 76 F HN 0.683 nan 8.300 nan 0.000 0.583 77 G N -0.269 108.615 108.800 0.140 0.000 2.315 77 G HA2 0.027 3.992 3.960 0.009 0.000 0.294 77 G HA3 0.027 3.992 3.960 0.009 0.000 0.294 77 G C -1.473 173.439 174.900 0.020 0.000 1.300 77 G CA -1.238 43.915 45.100 0.088 0.000 0.843 77 G HN -0.038 nan 8.290 nan 0.000 0.527 78 N N 1.129 119.835 118.700 0.011 0.000 2.411 78 N HA 0.038 4.783 4.740 0.009 0.000 0.261 78 N C 0.826 176.303 175.510 -0.055 0.000 1.248 78 N CA 0.530 53.572 53.050 -0.014 0.000 0.885 78 N CB 0.750 39.235 38.487 -0.004 0.000 1.062 78 N HN 0.533 nan 8.380 nan 0.000 0.471 79 D N 2.834 123.191 120.400 -0.072 0.000 2.319 79 D HA -0.087 4.558 4.640 0.009 0.000 0.230 79 D C 1.095 177.342 176.300 -0.088 0.000 1.094 79 D CA 0.119 54.050 54.000 -0.115 0.000 0.856 79 D CB 0.061 40.789 40.800 -0.121 0.000 0.915 79 D HN 0.716 nan 8.370 nan 0.000 0.517 80 K N 1.077 121.442 120.400 -0.057 0.000 2.103 80 K HA -0.066 4.260 4.320 0.009 0.000 0.204 80 K C 2.100 178.674 176.600 -0.043 0.000 1.052 80 K CA 0.483 56.745 56.287 -0.041 0.000 0.945 80 K CB -0.452 32.034 32.500 -0.023 0.000 0.722 80 K HN 0.105 nan 8.250 nan 0.000 0.443 81 L N 1.215 122.408 121.223 -0.049 0.000 2.353 81 L HA 0.047 4.392 4.340 0.009 0.000 0.220 81 L C 1.140 177.975 176.870 -0.060 0.000 1.133 81 L CA 0.491 55.307 54.840 -0.041 0.000 0.798 81 L CB -0.635 41.405 42.059 -0.033 0.000 0.922 81 L HN 0.177 nan 8.230 nan 0.000 0.445 82 I N 0.007 120.508 120.570 -0.114 0.000 2.488 82 I HA 0.260 4.435 4.170 0.009 0.000 0.299 82 I C -0.042 176.038 176.117 -0.062 0.000 0.984 82 I CA -0.310 60.914 61.300 -0.127 0.000 1.250 82 I CB 1.402 39.215 38.000 -0.312 0.000 1.389 82 I HN 0.003 nan 8.210 nan 0.000 0.488 83 K N 3.519 123.908 120.400 -0.017 0.000 2.509 83 K HA 0.338 4.663 4.320 0.009 0.000 0.266 83 K C -1.029 175.583 176.600 0.020 0.000 0.987 83 K CA -0.992 55.294 56.287 -0.002 0.000 0.868 83 K CB 2.118 34.621 32.500 0.006 0.000 1.421 83 K HN 0.519 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 -0.003 4.352 4.350 0.009 0.000 0.260 84 E C 0.582 177.203 176.600 0.035 0.000 0.980 84 E CA 1.474 57.889 56.400 0.025 0.000 0.927 84 E CB 0.047 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 3.903 112.733 108.800 0.050 0.000 2.217 85 G HA2 -0.241 3.724 3.960 0.009 0.000 0.246 85 G HA3 -0.241 3.724 3.960 0.009 0.000 0.246 85 G C -0.064 174.876 174.900 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 0.217 120.667 120.400 0.083 0.000 2.390 86 D HA 0.408 5.053 4.640 0.009 0.000 0.236 86 D C 0.721 177.085 176.300 0.108 0.000 1.189 86 D CA 0.093 54.155 54.000 0.104 0.000 0.887 86 D CB 0.569 41.459 40.800 0.150 0.000 1.198 86 D HN 0.174 nan 8.370 nan 0.000 0.444 87 I N 0.877 121.500 120.570 0.089 0.000 2.396 87 I HA 0.137 4.312 4.170 0.009 0.000 0.292 87 I C -0.289 175.840 176.117 0.020 0.000 0.999 87 I CA -0.337 60.992 61.300 0.050 0.000 1.310 87 I CB 1.479 39.495 38.000 0.027 0.000 1.404 87 I HN -0.014 nan 8.210 nan 0.000 0.496 88 V N 6.891 126.775 119.914 -0.049 0.000 2.448 88 V HA 0.483 4.609 4.120 0.009 0.000 0.295 88 V C -0.197 175.797 176.094 -0.167 0.000 1.025 88 V CA -0.937 61.235 62.300 -0.214 0.000 0.859 88 V CB 1.530 33.186 31.823 -0.278 0.000 0.988 88 V HN 0.578 nan 8.190 nan 0.000 0.431 89 K N 4.052 124.343 120.400 -0.181 0.000 2.259 89 K HA 0.641 4.966 4.320 0.009 0.000 0.252 89 K C -0.195 176.335 176.600 -0.116 0.000 0.936 89 K CA -0.893 55.326 56.287 -0.114 0.000 0.810 89 K CB 2.650 35.106 32.500 -0.074 0.000 1.143 89 K HN 0.595 nan 8.250 nan 0.000 0.427 90 R N -0.022 120.428 120.500 -0.083 0.000 2.840 90 R HA 0.071 4.417 4.340 0.009 0.000 0.282 90 R C 1.048 177.319 176.300 -0.049 0.000 1.133 90 R CA 0.349 56.410 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 -4.435 110.100 114.554 -0.033 0.000 3.186 91 T HA 0.168 4.523 4.350 0.009 0.000 0.292 91 T C 1.118 175.809 174.700 -0.015 0.000 0.915 91 T CA 0.213 62.300 62.100 -0.022 0.000 0.902 91 T CB 0.487 69.347 68.868 -0.014 0.000 1.192 91 T HN 0.848 nan 8.240 nan 0.000 0.563 92 G N 1.532 110.322 108.800 -0.016 0.000 2.212 92 G HA2 0.034 3.999 3.960 0.009 0.000 0.267 92 G HA3 0.034 3.999 3.960 0.009 0.000 0.267 92 G C 0.236 175.132 174.900 -0.007 0.000 1.002 92 G CA 0.146 45.239 45.100 -0.012 0.000 0.729 92 G HN 1.560 nan 8.290 nan 0.000 0.517 93 A N 0.172 122.990 122.820 -0.003 0.000 2.319 93 A HA 0.732 5.057 4.320 0.009 0.000 0.310 93 A C 0.232 177.821 177.584 0.009 0.000 1.152 93 A CA -0.770 51.267 52.037 -0.000 0.000 0.783 93 A CB 1.017 20.015 19.000 -0.004 0.000 1.184 93 A HN 0.437 nan 8.150 nan 0.000 0.474 94 I N 2.665 123.240 120.570 0.008 0.000 2.683 94 I HA -0.002 4.173 4.170 0.009 0.000 0.286 94 I C 0.789 176.913 176.117 0.012 0.000 1.175 94 I CA 0.191 61.500 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 0.423 nan 8.210 nan 0.000 0.569 95 V N 7.559 127.490 119.914 0.029 0.000 2.814 95 V HA -0.156 3.969 4.120 0.009 0.000 0.298 95 V C 0.305 176.383 176.094 -0.027 0.000 1.195 95 V CA 0.621 62.925 62.300 0.007 0.000 1.323 95 V CB -0.735 31.105 31.823 0.028 0.000 0.842 95 V HN 0.942 nan 8.190 nan 0.000 0.494 96 D N 3.724 124.098 120.400 -0.044 0.000 2.744 96 D HA 0.791 5.436 4.640 0.009 0.000 0.304 96 D C -0.638 175.624 176.300 -0.063 0.000 1.179 96 D CA -0.471 53.502 54.000 -0.045 0.000 1.024 96 D CB 2.099 42.880 40.800 -0.031 0.000 1.453 96 D HN 0.614 nan 8.370 nan 0.000 0.529 97 V N -5.820 114.061 119.914 -0.055 0.000 3.120 97 V HA 0.631 4.756 4.120 0.009 0.000 0.303 97 V C -3.042 173.014 176.094 -0.063 0.000 1.238 97 V CA -2.239 60.023 62.300 -0.063 0.000 1.008 97 V CB 1.568 33.350 31.823 -0.068 0.000 1.064 97 V HN 0.419 nan 8.190 nan 0.000 0.434 98 P HA 0.243 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 0.534 63.585 63.100 -0.082 0.000 0.760 98 P CB 0.582 32.238 31.700 -0.074 0.000 0.783 99 V N 2.870 122.690 119.914 -0.156 0.000 3.049 99 V HA 0.901 5.026 4.120 0.009 0.000 0.309 99 V C 0.255 176.060 176.094 -0.481 0.000 1.148 99 V CA 0.269 62.413 62.300 -0.259 0.000 0.990 99 V CB 2.191 33.914 31.823 -0.167 0.000 1.039 99 V HN 0.903 nan 8.190 nan 0.000 0.430 100 G N 2.277 110.528 108.800 -0.914 0.000 2.362 100 G HA2 0.015 3.980 3.960 0.009 0.000 0.656 100 G HA3 0.015 3.980 3.960 0.009 0.000 0.656 100 G C -0.018 174.391 174.900 -0.818 0.000 1.376 100 G CA -0.190 44.098 45.100 -1.354 0.000 0.971 100 G HN 0.620 nan 8.290 nan 0.000 0.636 101 E N 0.213 120.039 120.200 -0.623 0.000 2.333 101 E HA -0.177 4.178 4.350 0.009 0.000 0.200 101 E C 1.776 178.345 176.600 -0.052 0.000 1.010 101 E CA 1.399 57.715 56.400 -0.139 0.000 0.841 101 E CB 0.067 29.772 29.700 0.009 0.000 0.757 101 E HN 0.679 nan 8.360 nan 0.000 0.508 102 E N 0.362 120.498 120.200 -0.106 0.000 2.463 102 E HA -0.060 4.296 4.350 0.009 0.000 0.191 102 E C 1.345 177.923 176.600 -0.037 0.000 1.083 102 E CA 0.221 56.591 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 0.218 nan 8.360 nan 0.000 0.491 103 L N 0.392 121.594 121.223 -0.036 0.000 2.408 103 L HA 0.166 4.512 4.340 0.009 0.000 0.215 103 L C 1.089 177.979 176.870 0.033 0.000 1.081 103 L CA 0.245 55.079 54.840 -0.011 0.000 0.840 103 L CB -0.156 41.888 42.059 -0.025 0.000 1.002 103 L HN 0.091 nan 8.230 nan 0.000 0.468 104 L N 0.514 121.781 121.223 0.074 0.000 2.593 104 L HA 0.042 4.387 4.340 0.009 0.000 0.287 104 L C 1.525 178.425 176.870 0.051 0.000 1.243 104 L CA 1.014 55.913 54.840 0.098 0.000 0.890 104 L CB -0.399 41.756 42.059 0.161 0.000 1.134 104 L HN 0.528 nan 8.230 nan 0.000 0.502 105 G N 1.803 110.617 108.800 0.024 0.000 2.184 105 G HA2 -0.241 3.725 3.960 0.009 0.000 0.264 105 G HA3 -0.241 3.725 3.960 0.009 0.000 0.264 105 G C 0.328 175.225 174.900 -0.004 0.000 0.975 105 G CA -0.180 44.916 45.100 -0.006 0.000 0.642 105 G HN 0.468 nan 8.290 nan 0.000 0.536 106 R N -0.471 120.033 120.500 0.007 0.000 2.598 106 R HA 0.679 5.025 4.340 0.009 0.000 0.279 106 R C -0.148 176.155 176.300 0.005 0.000 0.984 106 R CA -0.964 55.138 56.100 0.002 0.000 0.999 106 R CB 1.556 31.856 30.300 -0.001 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 0.269 4.395 4.120 0.009 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 1.604 121.522 119.914 0.007 0.000 2.975 108 V HA 0.818 4.943 4.120 0.009 0.000 0.318 108 V C -0.009 176.085 176.094 -0.000 0.000 1.077 108 V CA -0.760 61.539 62.300 -0.002 0.000 1.000 108 V CB 2.040 33.856 31.823 -0.011 0.000 1.066 108 V HN 0.729 nan 8.190 nan 0.000 0.452 109 D N 1.936 122.333 120.400 -0.006 0.000 2.478 109 D HA 0.452 5.097 4.640 0.009 0.000 0.274 109 D C 1.062 177.347 176.300 -0.025 0.000 1.234 109 D CA 0.002 53.998 54.000 -0.006 0.000 1.069 109 D CB 0.860 41.660 40.800 -0.000 0.000 1.113 109 D HN 0.811 nan 8.370 nan 0.000 0.571 110 A N -0.951 121.850 122.820 -0.032 0.000 2.209 110 A HA 0.055 4.381 4.320 0.009 0.000 0.212 110 A C 2.031 179.546 177.584 -0.115 0.000 1.158 110 A CA 0.531 52.530 52.037 -0.064 0.000 0.742 110 A CB -0.759 18.209 19.000 -0.054 0.000 0.790 110 A HN 0.509 nan 8.150 nan 0.000 0.472 111 L N -2.312 118.847 121.223 -0.107 0.000 2.616 111 L HA 0.270 4.616 4.340 0.009 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 0.337 42.320 42.059 -0.126 0.000 1.115 111 L HN 0.529 nan 8.230 nan 0.000 0.481 112 G N -0.516 108.246 108.800 -0.063 0.000 2.213 112 G HA2 -0.235 3.730 3.960 0.009 0.000 0.226 112 G HA3 -0.235 3.730 3.960 0.009 0.000 0.226 112 G C 0.131 175.009 174.900 -0.036 0.000 0.992 112 G CA -0.439 44.631 45.100 -0.050 0.000 0.632 112 G HN 0.293 nan 8.290 nan 0.000 0.511 113 N N 1.595 120.277 118.700 -0.030 0.000 2.458 113 N HA 0.471 5.217 4.740 0.009 0.000 0.258 113 N C 0.642 176.145 175.510 -0.011 0.000 1.219 113 N CA 0.841 53.880 53.050 -0.017 0.000 0.902 113 N CB 1.103 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 1.926 124.741 122.820 -0.009 0.000 2.425 114 A HA 0.334 4.659 4.320 0.009 0.000 0.249 114 A C 1.288 178.872 177.584 -0.000 0.000 1.084 114 A CA -0.374 51.660 52.037 -0.005 0.000 0.781 114 A CB -0.237 18.759 19.000 -0.006 0.000 1.019 114 A HN 0.829 nan 8.150 nan 0.000 0.490 115 I N -1.268 119.303 120.570 0.003 0.000 4.225 115 I HA 0.249 4.424 4.170 0.009 0.000 0.327 115 I C 0.078 176.198 176.117 0.005 0.000 1.422 115 I CA -0.027 61.276 61.300 0.006 0.000 1.150 115 I CB 0.442 38.448 38.000 0.011 0.000 1.192 115 I HN 0.449 nan 8.210 nan 0.000 0.440 116 D N 1.291 121.693 120.400 0.002 0.000 2.340 116 D HA 0.132 4.777 4.640 0.009 0.000 0.220 116 D C 1.736 178.035 176.300 -0.001 0.000 1.039 116 D CA 0.609 54.609 54.000 -0.000 0.000 0.866 116 D CB -0.108 40.690 40.800 -0.004 0.000 0.913 116 D HN 0.430 nan 8.370 nan 0.000 0.523 117 G N 0.937 109.738 108.800 0.000 0.000 2.233 117 G HA2 -0.399 3.566 3.960 0.009 0.000 0.270 117 G HA3 -0.399 3.566 3.960 0.009 0.000 0.270 117 G C 0.636 175.536 174.900 -0.001 0.000 1.011 117 G CA 0.460 45.560 45.100 0.001 0.000 0.762 117 G HN 0.457 nan 8.290 nan 0.000 0.511 118 K N 0.545 120.943 120.400 -0.003 0.000 2.708 118 K HA 0.443 4.768 4.320 0.009 0.000 0.219 118 K C 1.228 177.826 176.600 -0.004 0.000 1.068 118 K CA 0.345 56.630 56.287 -0.004 0.000 1.212 118 K CB -0.180 32.317 32.500 -0.005 0.000 0.978 118 K HN 1.358 nan 8.250 nan 0.000 0.475 119 G N 2.810 111.609 108.800 -0.003 0.000 2.722 119 G HA2 -0.173 3.792 3.960 0.009 0.000 0.686 119 G HA3 -0.173 3.792 3.960 0.009 0.000 0.686 119 G C -2.645 172.252 174.900 -0.006 0.000 1.282 119 G CA -1.315 43.783 45.100 -0.004 0.000 0.817 119 G HN 0.079 nan 8.290 nan 0.000 0.605 120 P HA 0.188 nan 4.420 nan 0.000 0.266 120 P C 0.576 177.868 177.300 -0.014 0.000 1.186 120 P CA -0.001 63.093 63.100 -0.010 0.000 0.767 120 P CB 0.321 32.015 31.700 -0.009 0.000 0.820 121 I N 1.570 122.129 120.570 -0.019 0.000 2.396 121 I HA 0.126 4.302 4.170 0.009 0.000 0.289 121 I C 1.465 177.564 176.117 -0.031 0.000 1.056 121 I CA 0.021 61.305 61.300 -0.026 0.000 1.365 121 I CB 0.116 38.096 38.000 -0.034 0.000 1.407 121 I HN 0.403 nan 8.210 nan 0.000 0.509 122 G N 4.701 113.483 108.800 -0.030 0.000 3.209 122 G HA2 0.182 4.147 3.960 0.009 0.000 0.274 122 G HA3 0.182 4.147 3.960 0.009 0.000 0.274 122 G C 0.235 175.108 174.900 -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 0.431 116.099 115.700 -0.054 0.000 2.525 123 S HA 0.337 4.812 4.470 0.009 0.000 0.278 123 S C 1.258 175.820 174.600 -0.062 0.000 1.234 123 S CA -0.656 57.499 58.200 -0.075 0.000 1.058 123 S CB 1.287 64.433 63.200 -0.089 0.000 0.983 123 S HN 0.576 nan 8.310 nan 0.000 0.495 124 K N 2.248 122.606 120.400 -0.069 0.000 2.141 124 K HA 0.289 4.614 4.320 0.009 0.000 0.202 124 K C 0.767 177.339 176.600 -0.046 0.000 1.045 124 K CA 0.420 56.679 56.287 -0.046 0.000 0.971 124 K CB -0.007 32.473 32.500 -0.034 0.000 0.795 124 K HN 0.607 nan 8.250 nan 0.000 0.459 125 A N 1.644 124.426 122.820 -0.063 0.000 2.286 125 A HA 0.470 4.795 4.320 0.009 0.000 0.286 125 A C -0.383 177.164 177.584 -0.062 0.000 1.097 125 A CA -0.342 51.667 52.037 -0.048 0.000 0.821 125 A CB 0.576 19.561 19.000 -0.025 0.000 1.076 125 A HN 0.150 nan 8.150 nan 0.000 0.490 126 R N -0.565 119.911 120.500 -0.040 0.000 2.837 126 R HA 0.725 5.071 4.340 0.009 0.000 0.271 126 R C -0.824 175.459 176.300 -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 0.953 121.436 120.500 -0.028 0.000 2.566 127 R HA 0.292 4.637 4.340 0.009 0.000 0.271 127 R C -1.145 175.144 176.300 -0.018 0.000 1.071 127 R CA -0.703 55.388 56.100 -0.015 0.000 0.915 127 R CB 1.570 31.865 30.300 -0.007 0.000 1.228 127 R HN 0.536 nan 8.270 nan 0.000 0.449 128 R N 1.966 122.458 120.500 -0.013 0.000 2.590 128 R HA 0.048 4.394 4.340 0.009 0.000 0.274 128 R C 1.411 177.699 176.300 -0.019 0.000 1.061 128 R CA 0.251 56.340 56.100 -0.018 0.000 1.081 128 R CB 0.804 31.095 30.300 -0.015 0.000 0.984 128 R HN 0.593 nan 8.270 nan 0.000 0.448 129 V N 0.304 120.199 119.914 -0.032 0.000 2.591 129 V HA 0.043 4.168 4.120 0.009 0.000 0.249 129 V C 1.365 177.433 176.094 -0.044 0.000 1.053 129 V CA 1.724 64.011 62.300 -0.021 0.000 1.068 129 V CB -0.336 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 4.314 3.960 0.009 0.000 0.238 130 G HA3 0.349 4.314 3.960 0.009 0.000 0.238 130 G C 0.410 175.270 174.900 -0.066 0.000 1.184 130 G CA -0.450 44.573 45.100 -0.128 0.000 0.806 130 G HN 0.486 nan 8.290 nan 0.000 0.536 131 L N 0.215 121.422 121.223 -0.026 0.000 2.483 131 L HA 0.199 4.545 4.340 0.009 0.000 0.275 131 L C 0.876 177.744 176.870 -0.003 0.000 1.220 131 L CA -0.285 54.550 54.840 -0.008 0.000 0.833 131 L CB 0.637 42.698 42.059 0.004 0.000 1.102 131 L HN 0.051 nan 8.230 nan 0.000 0.490 132 K N 1.897 122.301 120.400 0.007 0.000 2.270 132 K HA 0.452 4.777 4.320 0.009 0.000 0.276 132 K C -0.187 176.421 176.600 0.013 0.000 1.023 132 K CA -0.415 55.883 56.287 0.018 0.000 0.955 132 K CB 1.140 33.657 32.500 0.027 0.000 0.975 132 K HN 0.627 nan 8.250 nan 0.000 0.471 133 A N 4.913 127.742 122.820 0.016 0.000 2.466 133 A HA 0.262 4.587 4.320 0.009 0.000 0.238 133 A C -2.108 175.470 177.584 -0.011 0.000 1.074 133 A CA -1.105 50.935 52.037 0.006 0.000 0.774 133 A CB -0.607 18.399 19.000 0.009 0.000 1.015 133 A HN 0.685 nan 8.150 nan 0.000 0.498 134 P HA 0.192 nan 4.420 nan 0.000 0.266 134 P C 0.721 177.980 177.300 -0.068 0.000 1.195 134 P CA 0.533 63.591 63.100 -0.071 0.000 0.768 134 P CB 0.305 31.939 31.700 -0.110 0.000 0.838 135 G N 1.502 110.252 108.800 -0.082 0.000 2.479 135 G HA2 0.083 4.049 3.960 0.009 0.000 0.275 135 G HA3 0.083 4.049 3.960 0.009 0.000 0.275 135 G C 1.095 175.951 174.900 -0.074 0.000 1.421 135 G CA -0.532 44.530 45.100 -0.063 0.000 1.059 135 G HN 0.424 nan 8.290 nan 0.000 0.535 136 I N -0.296 120.243 120.570 -0.052 0.000 2.233 136 I HA -0.092 4.083 4.170 0.009 0.000 0.243 136 I C 2.574 178.654 176.117 -0.062 0.000 1.093 136 I CA 0.391 61.665 61.300 -0.043 0.000 1.380 136 I CB -0.107 37.881 38.000 -0.020 0.000 1.067 136 I HN 0.242 nan 8.210 nan 0.000 0.413 137 I N 1.356 121.884 120.570 -0.070 0.000 2.127 137 I HA -0.178 3.997 4.170 0.009 0.000 0.241 137 I C -0.115 175.917 176.117 -0.142 0.000 1.075 137 I CA 1.950 63.211 61.300 -0.064 0.000 1.334 137 I CB -2.746 35.242 38.000 -0.019 0.000 1.040 137 I HN 0.182 nan 8.210 nan 0.000 0.405 138 P HA -0.092 nan 4.420 nan 0.000 0.225 138 P C 0.510 177.611 177.300 -0.332 0.000 1.148 138 P CA 1.029 63.681 63.100 -0.747 0.000 0.779 138 P CB 0.006 30.996 31.700 -1.185 0.000 0.780 139 R N -0.495 119.906 120.500 -0.166 0.000 2.549 139 R HA 0.640 4.985 4.340 0.009 0.000 0.259 139 R C -0.146 176.144 176.300 -0.017 0.000 1.095 139 R CA -0.750 55.308 56.100 -0.071 0.000 1.148 139 R CB 0.518 30.785 30.300 -0.054 0.000 1.181 139 R HN -0.052 nan 8.270 nan 0.000 0.571 140 I N -1.235 119.338 120.570 0.005 0.000 2.841 140 I HA 0.151 4.327 4.170 0.009 0.000 0.298 140 I C -0.825 175.301 176.117 0.015 0.000 1.304 140 I CA -0.139 61.172 61.300 0.018 0.000 1.019 140 I CB 2.539 40.560 38.000 0.035 0.000 1.282 140 I HN 0.478 nan 8.210 nan 0.000 0.432 141 S N 4.371 120.079 115.700 0.014 0.000 2.626 141 S HA 0.182 4.657 4.470 0.009 0.000 0.303 141 S C -0.051 174.554 174.600 0.009 0.000 1.256 141 S CA 0.010 58.216 58.200 0.010 0.000 1.069 141 S CB -0.111 63.095 63.200 0.010 0.000 0.807 141 S HN 0.828 nan 8.310 nan 0.000 0.500 142 V N 4.635 124.552 119.914 0.004 0.000 2.617 142 V HA 0.223 4.349 4.120 0.009 0.000 0.304 142 V C 1.044 177.133 176.094 -0.008 0.000 1.040 142 V CA 0.183 62.481 62.300 -0.003 0.000 1.149 142 V CB 0.229 32.045 31.823 -0.012 0.000 0.914 142 V HN 0.997 nan 8.190 nan 0.000 0.487 143 R N 1.571 122.062 120.500 -0.015 0.000 2.555 143 R HA 0.389 4.735 4.340 0.009 0.000 0.312 143 R C -0.060 176.220 176.300 -0.034 0.000 0.938 143 R CA -0.297 55.794 56.100 -0.015 0.000 1.112 143 R CB 0.436 30.735 30.300 -0.003 0.000 1.535 143 R HN 0.751 nan 8.270 nan 0.000 0.525 144 E N 3.618 123.781 120.200 -0.062 0.000 2.175 144 E HA 0.350 4.706 4.350 0.009 0.000 0.278 144 E C -2.523 174.006 176.600 -0.118 0.000 0.969 144 E CA -2.458 53.880 56.400 -0.103 0.000 0.796 144 E CB 1.791 31.382 29.700 -0.182 0.000 1.104 144 E HN -0.032 nan 8.360 nan 0.000 0.395 145 P HA -0.021 nan 4.420 nan 0.000 0.269 145 P C -0.623 176.578 177.300 -0.165 0.000 1.209 145 P CA -0.020 63.019 63.100 -0.102 0.000 0.776 145 P CB 0.505 32.164 31.700 -0.069 0.000 0.876 146 M N 3.022 122.538 119.600 -0.140 0.000 2.182 146 M HA 0.129 4.614 4.480 0.009 0.000 0.285 146 M C -0.453 175.774 176.300 -0.121 0.000 0.956 146 M CA -0.472 54.724 55.300 -0.173 0.000 0.878 146 M CB 0.219 32.740 32.600 -0.131 0.000 1.373 146 M HN 0.320 nan 8.290 nan 0.000 0.393 147 Q N 1.669 121.392 119.800 -0.128 0.000 2.330 147 Q HA 0.125 4.471 4.340 0.009 0.000 0.279 147 Q C 1.029 177.032 176.000 0.005 0.000 1.024 147 Q CA 0.515 56.307 55.803 -0.018 0.000 0.900 147 Q CB 0.566 29.361 28.738 0.094 0.000 1.221 147 Q HN 0.699 nan 8.270 nan 0.000 0.396 148 T N -1.930 112.639 114.554 0.024 0.000 3.042 148 T HA 0.235 4.590 4.350 0.009 0.000 0.245 148 T C 1.243 175.973 174.700 0.049 0.000 1.029 148 T CA 0.448 62.565 62.100 0.028 0.000 1.120 148 T CB 0.241 69.120 68.868 0.018 0.000 0.917 148 T HN 0.835 nan 8.240 nan 0.000 0.467 149 G N 1.671 110.503 108.800 0.054 0.000 2.195 149 G HA2 -0.178 3.787 3.960 0.009 0.000 0.246 149 G HA3 -0.178 3.787 3.960 0.009 0.000 0.246 149 G C 0.027 174.947 174.900 0.033 0.000 0.984 149 G CA -0.063 45.067 45.100 0.051 0.000 0.633 149 G HN 0.634 nan 8.290 nan 0.000 0.525 150 I N 1.843 122.431 120.570 0.029 0.000 2.297 150 I HA 0.219 4.394 4.170 0.009 0.000 0.291 150 I C 1.688 177.821 176.117 0.026 0.000 1.033 150 I CA -0.758 60.556 61.300 0.023 0.000 1.253 150 I CB 1.193 39.205 38.000 0.019 0.000 1.396 150 I HN 0.051 nan 8.210 nan 0.000 0.476 151 K N 4.781 125.197 120.400 0.026 0.000 2.059 151 K HA -0.258 4.067 4.320 0.009 0.000 0.212 151 K C 2.042 178.659 176.600 0.028 0.000 1.050 151 K CA 1.816 58.120 56.287 0.028 0.000 0.927 151 K CB -0.332 32.185 32.500 0.028 0.000 0.714 151 K HN 0.770 nan 8.250 nan 0.000 0.447 152 A N 1.463 124.301 122.820 0.029 0.000 1.883 152 A HA -0.131 4.194 4.320 0.009 0.000 0.217 152 A C 2.541 180.146 177.584 0.034 0.000 1.186 152 A CA 1.768 53.825 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 0.718 120.651 119.914 0.031 0.000 2.244 153 V HA -0.206 3.920 4.120 0.009 0.000 0.244 153 V C 1.966 178.074 176.094 0.023 0.000 1.042 153 V CA 2.143 64.460 62.300 0.027 0.000 1.006 153 V CB -0.874 30.962 31.823 0.022 0.000 0.641 153 V HN 0.503 nan 8.190 nan 0.000 0.446 154 D N 0.450 120.864 120.400 0.023 0.000 2.350 154 D HA -0.083 4.563 4.640 0.009 0.000 0.216 154 D C 2.260 178.574 176.300 0.024 0.000 0.968 154 D CA 1.557 55.570 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 -0.526 115.189 115.700 0.026 0.000 2.460 155 S HA 0.090 4.565 4.470 0.009 0.000 0.226 155 S C 1.928 176.543 174.600 0.025 0.000 1.057 155 S CA -0.086 58.130 58.200 0.026 0.000 0.948 155 S CB -0.063 63.153 63.200 0.027 0.000 0.822 155 S HN 0.133 nan 8.310 nan 0.000 0.512 156 L N 0.960 122.200 121.223 0.028 0.000 2.609 156 L HA 0.423 4.768 4.340 0.009 0.000 0.230 156 L C -0.145 176.744 176.870 0.032 0.000 1.087 156 L CA 0.075 54.933 54.840 0.031 0.000 0.874 156 L CB 0.883 42.965 42.059 0.037 0.000 1.114 156 L HN 0.141 nan 8.230 nan 0.000 0.488 157 V N 0.283 120.214 119.914 0.029 0.000 2.575 157 V HA 0.242 4.368 4.120 0.009 0.000 0.281 157 V C -2.455 173.648 176.094 0.014 0.000 1.087 157 V CA -1.197 61.118 62.300 0.025 0.000 1.193 157 V CB 0.309 32.151 31.823 0.031 0.000 1.426 157 V HN -0.039 nan 8.190 nan 0.000 0.623 158 P HA 0.054 nan 4.420 nan 0.000 0.258 158 P C -0.328 176.968 177.300 -0.007 0.000 1.172 158 P CA 0.612 63.714 63.100 0.003 0.000 0.762 158 P CB 0.337 32.039 31.700 0.003 0.000 0.764 159 I N 3.022 123.583 120.570 -0.016 0.000 2.385 159 I HA 0.420 4.595 4.170 0.009 0.000 0.294 159 I C 1.248 177.341 176.117 -0.039 0.000 0.988 159 I CA -0.521 60.764 61.300 -0.025 0.000 1.265 159 I CB 0.766 38.748 38.000 -0.031 0.000 1.388 159 I HN 0.305 nan 8.210 nan 0.000 0.480 160 G N 5.534 114.312 108.800 -0.038 0.000 2.461 160 G HA2 0.526 4.491 3.960 0.009 0.000 0.329 160 G HA3 0.526 4.491 3.960 0.009 0.000 0.329 160 G C -0.292 174.571 174.900 -0.062 0.000 1.170 160 G CA -0.876 44.194 45.100 -0.050 0.000 0.935 160 G HN 0.517 nan 8.290 nan 0.000 0.492 161 R N -0.016 120.430 120.500 -0.090 0.000 2.316 161 R HA 0.429 4.774 4.340 0.009 0.000 0.314 161 R C 0.964 177.246 176.300 -0.031 0.000 1.069 161 R CA 0.888 56.931 56.100 -0.094 0.000 0.959 161 R CB 0.868 31.046 30.300 -0.204 0.000 0.987 161 R HN 1.064 nan 8.270 nan 0.000 0.446 162 G N 1.934 110.731 108.800 -0.004 0.000 2.168 162 G HA2 -0.261 3.705 3.960 0.009 0.000 0.197 162 G HA3 -0.261 3.705 3.960 0.009 0.000 0.197 162 G C 0.039 174.943 174.900 0.007 0.000 0.997 162 G CA -0.120 44.991 45.100 0.018 0.000 0.658 162 G HN 0.582 nan 8.290 nan 0.000 0.513 163 Q N -0.205 119.592 119.800 -0.005 0.000 2.212 163 Q HA 0.759 5.104 4.340 0.009 0.000 0.238 163 Q C -0.195 175.803 176.000 -0.003 0.000 0.955 163 Q CA -0.753 55.046 55.803 -0.006 0.000 0.906 163 Q CB 0.601 29.330 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 4.654 4.340 0.009 0.000 0.319 164 R C -1.535 174.755 176.300 -0.018 0.000 0.954 164 R CA -0.487 55.611 56.100 -0.004 0.000 0.840 164 R CB 1.591 31.889 30.300 -0.005 0.000 1.164 164 R HN 0.550 nan 8.270 nan 0.000 0.472 165 E N 2.880 123.066 120.200 -0.023 0.000 2.199 165 E HA 0.352 4.707 4.350 0.009 0.000 0.265 165 E C -1.486 175.083 176.600 -0.051 0.000 0.882 165 E CA -0.917 55.461 56.400 -0.038 0.000 0.759 165 E CB 1.134 30.816 29.700 -0.031 0.000 1.148 165 E HN 0.395 nan 8.360 nan 0.000 0.412 166 L N 5.295 126.468 121.223 -0.082 0.000 2.312 166 L HA 0.475 4.820 4.340 0.009 0.000 0.281 166 L C -1.098 175.704 176.870 -0.113 0.000 1.070 166 L CA -0.428 54.350 54.840 -0.103 0.000 0.805 166 L CB 0.731 42.708 42.059 -0.137 0.000 1.174 166 L HN 0.557 nan 8.230 nan 0.000 0.434 167 I N 7.032 127.552 120.570 -0.083 0.000 2.312 167 I HA 0.378 4.553 4.170 0.009 0.000 0.290 167 I C -0.219 175.853 176.117 -0.075 0.000 1.008 167 I CA -0.157 61.104 61.300 -0.065 0.000 1.226 167 I CB 0.811 38.796 38.000 -0.025 0.000 1.371 167 I HN 0.634 nan 8.210 nan 0.000 0.468 168 I N 4.822 125.337 120.570 -0.092 0.000 2.582 168 I HA 0.852 5.027 4.170 0.009 0.000 0.292 168 I C -0.293 175.837 176.117 0.021 0.000 1.066 168 I CA 0.039 61.301 61.300 -0.064 0.000 1.053 168 I CB 2.189 40.103 38.000 -0.144 0.000 1.241 168 I HN 0.707 nan 8.210 nan 0.000 0.421 169 G N 5.188 114.010 108.800 0.036 0.000 2.349 169 G HA2 0.213 4.178 3.960 0.009 0.000 0.294 169 G HA3 0.213 4.178 3.960 0.009 0.000 0.294 169 G C -1.886 173.029 174.900 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 4.971 4.640 0.009 0.000 0.259 170 D C 1.081 177.367 176.300 -0.025 0.000 1.269 170 D CA -0.211 53.791 54.000 0.002 0.000 1.028 170 D CB 0.440 41.242 40.800 0.004 0.000 1.093 170 D HN 0.680 nan 8.370 nan 0.000 0.545 171 R N 0.089 120.581 120.500 -0.014 0.000 2.679 171 R HA 0.021 4.367 4.340 0.009 0.000 0.268 171 R C -0.105 176.157 176.300 -0.063 0.000 1.044 171 R CA -0.210 55.878 56.100 -0.020 0.000 1.105 171 R CB 0.162 30.465 30.300 0.005 0.000 0.989 171 R HN 0.224 nan 8.270 nan 0.000 0.447 172 Q N 0.050 119.802 119.800 -0.080 0.000 2.475 172 Q HA -0.148 4.197 4.340 0.009 0.000 0.280 172 Q C -0.010 175.736 176.000 -0.422 0.000 1.234 172 Q CA 1.709 57.423 55.803 -0.149 0.000 0.873 172 Q CB -1.624 27.078 28.738 -0.061 0.000 1.256 172 Q HN 0.991 nan 8.270 nan 0.000 0.475 173 T N -4.501 109.798 114.554 -0.424 0.000 3.069 173 T HA 0.426 4.782 4.350 0.009 0.000 0.252 173 T C 1.087 175.427 174.700 -0.599 0.000 1.053 173 T CA 0.513 62.174 62.100 -0.731 0.000 0.964 173 T CB 0.997 69.679 68.868 -0.310 0.000 1.005 173 T HN 0.765 nan 8.240 nan 0.000 0.532 174 G N 1.852 110.470 108.800 -0.303 0.000 2.207 174 G HA2 -0.230 3.735 3.960 0.009 0.000 0.216 174 G HA3 -0.230 3.735 3.960 0.009 0.000 0.216 174 G C 0.540 175.438 174.900 -0.003 0.000 1.053 174 G CA 0.199 45.281 45.100 -0.032 0.000 0.764 174 G HN 0.496 nan 8.290 nan 0.000 0.495 175 K N -0.546 119.840 120.400 -0.023 0.000 1.980 175 K HA 0.001 4.326 4.320 0.009 0.000 0.208 175 K C 2.674 179.292 176.600 0.030 0.000 1.043 175 K CA 1.788 58.078 56.287 0.005 0.000 0.938 175 K CB -0.418 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 1.305 115.887 114.554 0.048 0.000 2.685 176 T HA -0.183 4.172 4.350 0.009 0.000 0.268 176 T C 2.049 176.775 174.700 0.044 0.000 1.034 176 T CA 1.812 63.963 62.100 0.085 0.000 1.149 176 T CB -0.394 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 0.793 116.502 115.700 0.015 0.000 2.420 177 S HA -0.056 4.419 4.470 0.009 0.000 0.237 177 S C 1.936 176.522 174.600 -0.023 0.000 1.023 177 S CA 0.873 59.055 58.200 -0.029 0.000 0.991 177 S CB -0.451 62.723 63.200 -0.044 0.000 0.792 177 S HN 0.468 nan 8.310 nan 0.000 0.488 178 I N 1.005 121.580 120.570 0.008 0.000 2.406 178 I HA -0.128 4.047 4.170 0.009 0.000 0.249 178 I C 2.637 178.767 176.117 0.021 0.000 1.122 178 I CA 0.802 62.109 61.300 0.011 0.000 1.431 178 I CB -0.510 37.502 38.000 0.020 0.000 1.087 178 I HN 0.272 nan 8.210 nan 0.000 0.424 179 A N 1.663 124.508 122.820 0.043 0.000 1.865 179 A HA -0.196 4.129 4.320 0.009 0.000 0.217 179 A C 2.171 179.783 177.584 0.047 0.000 1.191 179 A CA 1.472 53.550 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 0.710 121.289 120.570 0.015 0.000 2.058 180 I HA -0.238 3.937 4.170 0.009 0.000 0.235 180 I C 1.966 178.100 176.117 0.029 0.000 1.053 180 I CA 1.922 63.220 61.300 -0.003 0.000 1.313 180 I CB -2.000 35.995 38.000 -0.008 0.000 1.039 180 I HN 0.270 nan 8.210 nan 0.000 0.396 181 D N 0.721 121.124 120.400 0.005 0.000 2.191 181 D HA -0.181 4.464 4.640 0.009 0.000 0.195 181 D C 2.169 178.498 176.300 0.049 0.000 1.003 181 D CA 1.871 55.884 54.000 0.022 0.000 0.867 181 D CB -0.432 40.359 40.800 -0.014 0.000 0.926 181 D HN 0.340 nan 8.370 nan 0.000 0.450 182 T N 0.402 114.981 114.554 0.041 0.000 2.708 182 T HA -0.081 4.274 4.350 0.009 0.000 0.266 182 T C 2.179 176.924 174.700 0.075 0.000 1.037 182 T CA 0.663 62.792 62.100 0.047 0.000 1.146 182 T CB -0.233 68.653 68.868 0.029 0.000 0.865 182 T HN 0.185 nan 8.240 nan 0.000 0.435 183 I N 0.535 121.158 120.570 0.088 0.000 2.127 183 I HA -0.154 4.021 4.170 0.009 0.000 0.241 183 I C 2.335 178.599 176.117 0.245 0.000 1.075 183 I CA 1.410 62.801 61.300 0.152 0.000 1.334 183 I CB -0.412 37.649 38.000 0.102 0.000 1.040 183 I HN 0.192 nan 8.210 nan 0.000 0.405 184 I N 0.900 121.574 120.570 0.173 0.000 2.208 184 I HA -0.341 3.834 4.170 0.009 0.000 0.245 184 I C 2.230 178.460 176.117 0.188 0.000 1.097 184 I CA 1.753 63.167 61.300 0.190 0.000 1.363 184 I CB -0.443 37.636 38.000 0.132 0.000 1.051 184 I HN 0.339 nan 8.210 nan 0.000 0.413 185 N N 0.255 119.040 118.700 0.141 0.000 2.443 185 N HA -0.229 4.516 4.740 0.009 0.000 0.184 185 N C 1.790 177.415 175.510 0.191 0.000 1.037 185 N CA 0.886 54.015 53.050 0.130 0.000 0.896 185 N CB 0.125 38.687 38.487 0.126 0.000 0.959 185 N HN 0.159 nan 8.380 nan 0.000 0.442 186 Q N 0.626 120.516 119.800 0.149 0.000 2.230 186 Q HA -0.022 4.324 4.340 0.009 0.000 0.202 186 Q C 1.639 177.581 176.000 -0.096 0.000 0.963 186 Q CA 0.871 56.705 55.803 0.051 0.000 0.866 186 Q CB -0.203 28.388 28.738 -0.245 0.000 0.931 186 Q HN 0.391 nan 8.270 nan 0.000 0.452 187 K N 0.704 121.048 120.400 -0.092 0.000 2.160 187 K HA -0.220 4.105 4.320 0.009 0.000 0.206 187 K C 1.858 178.401 176.600 -0.094 0.000 1.047 187 K CA 1.444 57.706 56.287 -0.042 0.000 0.930 187 K CB -0.054 32.576 32.500 0.217 0.000 0.720 187 K HN 0.193 nan 8.250 nan 0.000 0.450 188 R N -0.136 120.262 120.500 -0.169 0.000 2.200 188 R HA -0.157 4.189 4.340 0.009 0.000 0.234 188 R C 1.100 177.096 176.300 -0.505 0.000 1.127 188 R CA 1.634 57.498 56.100 -0.393 0.000 0.989 188 R CB -0.246 29.727 30.300 -0.545 0.000 0.869 188 R HN 0.199 nan 8.270 nan 0.000 0.459 189 F N 0.278 120.130 119.950 -0.163 0.000 2.602 189 F HA 0.302 4.834 4.527 0.009 0.000 0.284 189 F C 1.820 177.501 175.800 -0.198 0.000 1.111 189 F CA -0.384 57.519 58.000 -0.161 0.000 1.405 189 F CB -0.423 38.474 39.000 -0.172 0.000 1.121 189 F HN -0.107 nan 8.300 nan 0.000 0.603 190 N N 0.523 119.173 118.700 -0.084 0.000 2.309 190 N HA -0.134 4.611 4.740 0.009 0.000 0.182 190 N C 0.681 176.143 175.510 -0.079 0.000 1.018 190 N CA 1.245 54.172 53.050 -0.206 0.000 0.876 190 N CB -0.322 37.870 38.487 -0.492 0.000 0.972 190 N HN 0.221 nan 8.380 nan 0.000 0.434 191 D N 0.051 120.418 120.400 -0.054 0.000 2.328 191 D HA 0.116 4.762 4.640 0.009 0.000 0.226 191 D C 0.982 177.267 176.300 -0.025 0.000 1.066 191 D CA 0.069 54.058 54.000 -0.019 0.000 0.861 191 D CB -0.070 40.721 40.800 -0.015 0.000 0.912 191 D HN 0.142 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 0.290 4.255 3.960 0.009 0.000 0.297 192 G HA3 0.290 4.255 3.960 0.009 0.000 0.297 192 G C 1.066 175.968 174.900 0.003 0.000 1.310 192 G CA -0.170 44.919 45.100 -0.017 0.000 1.027 192 G HN 0.018 nan 8.290 nan 0.000 0.505 193 T N -0.351 114.208 114.554 0.008 0.000 2.781 193 T HA -0.004 4.351 4.350 0.009 0.000 0.252 193 T C 0.853 175.570 174.700 0.028 0.000 1.039 193 T CA 0.839 62.948 62.100 0.016 0.000 1.147 193 T CB -0.255 68.620 68.868 0.011 0.000 0.865 193 T HN 0.461 nan 8.240 nan 0.000 0.423 194 D N 2.205 122.625 120.400 0.033 0.000 2.412 194 D HA -0.008 4.637 4.640 0.009 0.000 0.257 194 D C 1.034 177.363 176.300 0.050 0.000 1.217 194 D CA -0.067 53.958 54.000 0.042 0.000 0.897 194 D CB 0.683 41.510 40.800 0.045 0.000 1.132 194 D HN 0.214 nan 8.370 nan 0.000 0.493 195 E N 3.410 123.644 120.200 0.057 0.000 2.347 195 E HA -0.122 4.234 4.350 0.009 0.000 0.196 195 E C 0.998 177.655 176.600 0.094 0.000 1.008 195 E CA 0.616 57.061 56.400 0.075 0.000 0.852 195 E CB -0.006 29.747 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 0.093 0.000 2.444 196 K HA 0.099 4.424 4.320 0.009 0.000 0.193 196 K C 1.555 178.222 176.600 0.111 0.000 1.024 196 K CA 0.219 56.593 56.287 0.145 0.000 1.077 196 K CB 0.379 32.949 32.500 0.116 0.000 0.833 196 K HN -0.109 nan 8.250 nan 0.000 0.517 197 K N 0.708 121.134 120.400 0.044 0.000 2.373 197 K HA 0.122 4.448 4.320 0.009 0.000 0.202 197 K C -0.112 176.412 176.600 -0.126 0.000 1.025 197 K CA 0.122 56.387 56.287 -0.037 0.000 1.115 197 K CB 0.634 33.179 32.500 0.074 0.000 0.858 197 K HN 0.055 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 0.386 4.711 4.320 0.009 0.000 0.243 198 K C -0.750 175.682 176.600 -0.280 0.000 1.006 198 K CA -0.803 55.355 56.287 -0.215 0.000 0.917 198 K CB 1.030 33.377 32.500 -0.256 0.000 1.081 198 K HN -0.197 nan 8.250 nan 0.000 0.468 199 L N 2.187 123.132 121.223 -0.464 0.000 2.611 199 L HA 0.270 4.616 4.340 0.009 0.000 0.263 199 L C -1.794 174.800 176.870 -0.460 0.000 0.969 199 L CA -0.303 54.321 54.840 -0.360 0.000 0.894 199 L CB 0.851 42.715 42.059 -0.326 0.000 1.229 199 L HN 0.453 nan 8.230 nan 0.000 0.416 200 Y N 2.867 123.009 120.300 -0.265 0.000 2.335 200 Y HA 0.424 4.979 4.550 0.009 0.000 0.331 200 Y C 0.653 176.443 175.900 -0.183 0.000 1.094 200 Y CA -0.168 57.759 58.100 -0.288 0.000 1.253 200 Y CB 0.718 38.715 38.460 -0.772 0.000 1.203 200 Y HN 0.473 nan 8.280 nan 0.000 0.508 201 C N 4.602 123.970 119.300 0.112 0.000 2.370 201 C HA 0.697 5.162 4.460 0.009 0.000 0.354 201 C C -0.066 174.965 174.990 0.069 0.000 1.218 201 C CA -0.880 58.189 59.018 0.084 0.000 2.154 201 C CB -0.126 27.704 27.740 0.150 0.000 2.391 201 C HN 0.562 nan 8.230 nan 0.000 0.540 202 I N 1.997 122.587 120.570 0.034 0.000 2.498 202 I HA 0.334 4.509 4.170 0.009 0.000 0.290 202 I C -0.721 175.409 176.117 0.020 0.000 1.032 202 I CA -0.351 60.964 61.300 0.025 0.000 1.073 202 I CB 1.009 39.007 38.000 -0.004 0.000 1.251 202 I HN 0.632 nan 8.210 nan 0.000 0.426 203 Y N 6.568 126.822 120.300 -0.077 0.000 2.338 203 Y HA 0.707 5.262 4.550 0.008 0.000 0.328 203 Y C -1.075 174.777 175.900 -0.080 0.000 0.965 203 Y CA -0.922 57.126 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 5.779 125.393 119.914 -0.501 0.000 2.407 204 V HA 0.746 4.871 4.120 0.009 0.000 0.278 204 V C 0.049 175.859 176.094 -0.472 0.000 1.037 204 V CA -0.530 61.562 62.300 -0.347 0.000 0.900 204 V CB 0.945 32.642 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 -0.239 0.000 2.287 205 A HA 0.891 5.216 4.320 0.009 0.000 0.317 205 A C -0.637 176.914 177.584 -0.055 0.000 1.220 205 A CA -0.487 51.467 52.037 -0.139 0.000 0.835 205 A CB 0.443 19.472 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 0.009 0.000 0.289 206 I C 1.162 177.293 176.117 0.022 0.000 1.026 206 I CA -0.230 61.068 61.300 -0.004 0.000 1.078 206 I CB 1.865 39.855 38.000 -0.016 0.000 1.249 206 I HN 0.969 nan 8.210 nan 0.000 0.429 207 G N 3.600 112.425 108.800 0.042 0.000 2.228 207 G HA2 -0.227 3.738 3.960 0.009 0.000 0.270 207 G HA3 -0.227 3.738 3.960 0.009 0.000 0.270 207 G C 0.495 175.423 174.900 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 0.021 119.849 119.800 0.048 0.000 2.697 208 Q HA 0.452 4.797 4.340 0.009 0.000 0.196 208 Q C 0.488 176.521 176.000 0.054 0.000 1.121 208 Q CA 0.149 55.986 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 0.675 121.107 120.400 0.054 0.000 2.156 209 K HA 0.200 4.525 4.320 0.009 0.000 0.271 209 K C 1.308 177.937 176.600 0.047 0.000 0.995 209 K CA -0.360 55.955 56.287 0.046 0.000 0.890 209 K CB 0.971 33.497 32.500 0.042 0.000 1.073 209 K HN 0.367 nan 8.250 nan 0.000 0.454 210 R N 0.863 121.388 120.500 0.041 0.000 2.073 210 R HA -0.145 4.201 4.340 0.009 0.000 0.234 210 R C 1.780 178.100 176.300 0.033 0.000 1.134 210 R CA 1.808 57.931 56.100 0.039 0.000 0.952 210 R CB -0.517 29.802 30.300 0.032 0.000 0.850 210 R HN 0.629 nan 8.270 nan 0.000 0.433 211 S N 0.992 116.710 115.700 0.029 0.000 2.399 211 S HA -0.222 4.254 4.470 0.009 0.000 0.235 211 S C 2.000 176.615 174.600 0.026 0.000 1.063 211 S CA 2.290 60.505 58.200 0.024 0.000 1.070 211 S CB -0.816 62.398 63.200 0.024 0.000 0.904 211 S HN 0.408 nan 8.310 nan 0.000 0.456 212 T N 1.926 116.502 114.554 0.036 0.000 2.812 212 T HA 0.029 4.384 4.350 0.009 0.000 0.264 212 T C 1.987 176.709 174.700 0.037 0.000 1.042 212 T CA 1.175 63.299 62.100 0.040 0.000 1.140 212 T CB -0.498 68.404 68.868 0.056 0.000 0.870 212 T HN 0.295 nan 8.240 nan 0.000 0.445 213 V N 1.922 121.867 119.914 0.052 0.000 2.307 213 V HA -0.093 4.032 4.120 0.009 0.000 0.245 213 V C 2.992 179.095 176.094 0.015 0.000 1.045 213 V CA 1.524 63.857 62.300 0.055 0.000 1.024 213 V CB -1.297 30.578 31.823 0.086 0.000 0.651 213 V HN 0.520 nan 8.190 nan 0.000 0.449 214 A N -0.500 122.329 122.820 0.015 0.000 1.940 214 A HA -0.299 4.026 4.320 0.009 0.000 0.219 214 A C 2.160 179.737 177.584 -0.012 0.000 1.176 214 A CA 2.058 54.096 52.037 0.002 0.000 0.631 214 A CB -0.448 18.556 19.000 0.007 0.000 0.814 214 A HN 0.663 nan 8.150 nan 0.000 0.446 215 Q N -0.950 118.845 119.800 -0.009 0.000 2.331 215 Q HA 0.129 4.474 4.340 0.009 0.000 0.203 215 Q C 1.985 177.963 176.000 -0.037 0.000 0.944 215 Q CA 0.365 56.157 55.803 -0.019 0.000 0.892 215 Q CB -0.099 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 1.056 122.252 121.223 -0.045 0.000 2.027 216 L HA -0.120 4.225 4.340 0.009 0.000 0.206 216 L C 2.355 179.156 176.870 -0.113 0.000 1.074 216 L CA 1.668 56.451 54.840 -0.094 0.000 0.745 216 L CB -0.537 41.437 42.059 -0.141 0.000 0.898 216 L HN 0.268 nan 8.230 nan 0.000 0.433 217 V N -1.997 117.865 119.914 -0.087 0.000 2.548 217 V HA -0.169 3.956 4.120 0.009 0.000 0.249 217 V C 2.651 178.697 176.094 -0.080 0.000 1.055 217 V CA 1.379 63.629 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 1.349 121.709 120.400 -0.067 0.000 2.032 218 K HA -0.236 4.090 4.320 0.009 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 -0.659 31.806 32.500 -0.058 0.000 0.712 218 K HN 0.538 nan 8.250 nan 0.000 0.441 219 R N 0.814 121.252 120.500 -0.102 0.000 2.081 219 R HA 0.011 4.356 4.340 0.009 0.000 0.235 219 R C 2.407 178.636 176.300 -0.118 0.000 1.131 219 R CA 1.333 57.350 56.100 -0.138 0.000 0.960 219 R CB -0.597 29.629 30.300 -0.123 0.000 0.856 219 R HN 0.253 nan 8.270 nan 0.000 0.436 220 L N -0.728 120.429 121.223 -0.109 0.000 2.056 220 L HA -0.138 4.207 4.340 0.009 0.000 0.207 220 L C 2.213 179.004 176.870 -0.131 0.000 1.078 220 L CA 1.779 56.545 54.840 -0.124 0.000 0.749 220 L CB -0.692 41.279 42.059 -0.148 0.000 0.901 220 L HN 0.287 nan 8.230 nan 0.000 0.433 221 T N -0.575 113.912 114.554 -0.112 0.000 2.643 221 T HA -0.174 4.181 4.350 0.009 0.000 0.264 221 T C 1.362 176.010 174.700 -0.087 0.000 1.045 221 T CA 1.619 63.661 62.100 -0.096 0.000 1.155 221 T CB -0.206 68.617 68.868 -0.075 0.000 0.863 221 T HN 0.319 nan 8.240 nan 0.000 0.420 222 D N 1.270 121.617 120.400 -0.088 0.000 2.309 222 D HA 0.011 4.656 4.640 0.009 0.000 0.212 222 D C 1.647 177.901 176.300 -0.078 0.000 0.968 222 D CA 0.648 54.599 54.000 -0.082 0.000 0.882 222 D CB -0.194 40.547 40.800 -0.097 0.000 0.918 222 D HN 0.437 nan 8.370 nan 0.000 0.503 223 A N 0.214 122.986 122.820 -0.081 0.000 2.308 223 A HA 0.081 4.406 4.320 0.009 0.000 0.217 223 A C 0.381 177.941 177.584 -0.042 0.000 1.216 223 A CA 0.115 52.121 52.037 -0.051 0.000 0.864 223 A CB 0.178 19.160 19.000 -0.030 0.000 0.902 223 A HN -0.004 nan 8.150 nan 0.000 0.499 224 D N -2.227 118.129 120.400 -0.073 0.000 2.705 224 D HA -0.182 4.463 4.640 0.009 0.000 0.240 224 D C 0.605 176.823 176.300 -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 39.587 40.800 -0.017 0.000 1.049 224 D HN 0.519 nan 8.370 nan 0.000 0.427 225 A N 0.160 122.789 122.820 -0.318 0.000 2.312 225 A HA 0.180 4.505 4.320 0.009 0.000 0.215 225 A C 2.009 179.035 177.584 -0.929 0.000 1.256 225 A CA 0.176 51.703 52.037 -0.850 0.000 0.966 225 A CB 0.108 18.851 19.000 -0.429 0.000 1.053 225 A HN 0.291 nan 8.150 nan 0.000 0.510 226 M N 1.259 120.605 119.600 -0.425 0.000 2.213 226 M HA -0.146 4.340 4.480 0.009 0.000 0.263 226 M C 1.978 178.143 176.300 -0.226 0.000 1.062 226 M CA 1.896 57.033 55.300 -0.271 0.000 1.105 226 M CB -0.913 31.597 32.600 -0.150 0.000 1.385 226 M HN 0.675 nan 8.290 nan 0.000 0.417 227 K N 0.586 120.852 120.400 -0.222 0.000 2.160 227 K HA -0.193 4.132 4.320 0.009 0.000 0.206 227 K C 0.903 177.521 176.600 0.029 0.000 1.047 227 K CA 1.874 58.127 56.287 -0.057 0.000 0.930 227 K CB -0.844 31.662 32.500 0.010 0.000 0.720 227 K HN 0.515 nan 8.250 nan 0.000 0.450 228 Y N -0.722 119.597 120.300 0.032 0.000 2.720 228 Y HA 0.511 5.067 4.550 0.009 0.000 0.268 228 Y C -0.605 175.322 175.900 0.045 0.000 1.142 228 Y CA -1.122 57.008 58.100 0.050 0.000 1.193 228 Y CB 0.030 38.457 38.460 -0.055 0.000 1.176 228 Y HN -0.214 nan 8.280 nan 0.000 0.542 229 T N 2.047 116.589 114.554 -0.019 0.000 2.893 229 T HA 0.640 4.995 4.350 0.009 0.000 0.291 229 T C -0.452 174.271 174.700 0.038 0.000 1.028 229 T CA -0.496 61.614 62.100 0.017 0.000 0.995 229 T CB 1.860 70.671 68.868 -0.095 0.000 1.051 229 T HN 0.180 nan 8.240 nan 0.000 0.470 230 I N 1.459 122.068 120.570 0.064 0.000 2.750 230 I HA 0.696 4.872 4.170 0.009 0.000 0.308 230 I C -0.813 175.339 176.117 0.058 0.000 1.016 230 I CA -1.141 60.194 61.300 0.059 0.000 1.098 230 I CB 2.053 40.099 38.000 0.076 0.000 1.279 230 I HN 0.203 nan 8.210 nan 0.000 0.454 231 V N 4.607 124.551 119.914 0.050 0.000 2.532 231 V HA 0.263 4.389 4.120 0.009 0.000 0.294 231 V C -0.444 175.681 176.094 0.051 0.000 1.036 231 V CA -0.603 61.745 62.300 0.081 0.000 0.876 231 V CB 1.904 33.781 31.823 0.091 0.000 1.012 231 V HN 0.376 nan 8.190 nan 0.000 0.432 232 V N 3.402 123.332 119.914 0.028 0.000 2.439 232 V HA 0.559 4.684 4.120 0.009 0.000 0.282 232 V C 0.377 176.475 176.094 0.007 0.000 1.039 232 V CA -0.128 62.173 62.300 0.002 0.000 0.913 232 V CB 1.701 33.508 31.823 -0.025 0.000 0.983 232 V HN 0.813 nan 8.190 nan 0.000 0.460 233 S N 3.155 118.865 115.700 0.016 0.000 2.519 233 S HA 0.765 5.240 4.470 0.009 0.000 0.309 233 S C -0.091 174.521 174.600 0.020 0.000 1.100 233 S CA -0.367 57.848 58.200 0.025 0.000 1.059 233 S CB 1.495 64.720 63.200 0.042 0.000 1.008 233 S HN 1.039 nan 8.310 nan 0.000 0.478 234 A N 3.343 126.175 122.820 0.020 0.000 2.646 234 A HA 0.606 4.931 4.320 0.009 0.000 0.312 234 A C 0.309 177.917 177.584 0.041 0.000 1.245 234 A CA -0.709 51.348 52.037 0.034 0.000 0.755 234 A CB 0.048 19.070 19.000 0.035 0.000 1.132 234 A HN 0.688 nan 8.150 nan 0.000 0.458 235 T N -1.468 113.113 114.554 0.045 0.000 2.849 235 T HA 0.590 4.946 4.350 0.009 0.000 0.276 235 T C 1.587 176.316 174.700 0.050 0.000 0.971 235 T CA 0.058 62.187 62.100 0.047 0.000 0.949 235 T CB 1.086 69.981 68.868 0.046 0.000 1.093 235 T HN 1.228 nan 8.240 nan 0.000 0.545 236 A N 0.161 123.009 122.820 0.047 0.000 2.104 236 A HA -0.102 4.223 4.320 0.009 0.000 0.223 236 A C 2.360 179.970 177.584 0.044 0.000 1.164 236 A CA 2.248 54.313 52.037 0.046 0.000 0.659 236 A CB -1.230 17.795 19.000 0.042 0.000 0.808 236 A HN 0.801 nan 8.150 nan 0.000 0.465 237 S N -0.979 114.746 115.700 0.042 0.000 2.539 237 S HA 0.109 4.585 4.470 0.009 0.000 0.221 237 S C -0.076 174.550 174.600 0.044 0.000 0.987 237 S CA -0.476 57.748 58.200 0.039 0.000 0.929 237 S CB -0.196 63.024 63.200 0.034 0.000 0.832 237 S HN 0.514 nan 8.310 nan 0.000 0.492 238 D N 2.397 122.829 120.400 0.053 0.000 2.304 238 D HA 0.424 5.069 4.640 0.009 0.000 0.247 238 D C 0.265 176.611 176.300 0.077 0.000 1.089 238 D CA 0.039 54.078 54.000 0.064 0.000 0.910 238 D CB 1.514 42.355 40.800 0.068 0.000 1.199 238 D HN 0.366 nan 8.370 nan 0.000 0.426 239 A N 1.440 124.310 122.820 0.083 0.000 2.561 239 A HA 0.242 4.568 4.320 0.009 0.000 0.234 239 A C 1.482 179.139 177.584 0.121 0.000 1.055 239 A CA 0.532 52.621 52.037 0.087 0.000 0.756 239 A CB 0.164 19.213 19.000 0.082 0.000 0.986 239 A HN 0.664 nan 8.150 nan 0.000 0.505 240 A N 3.593 126.479 122.820 0.110 0.000 1.903 240 A HA -0.127 4.198 4.320 0.009 0.000 0.219 240 A C -0.033 177.694 177.584 0.238 0.000 1.191 240 A CA 2.239 54.364 52.037 0.147 0.000 0.638 240 A CB -1.807 17.257 19.000 0.106 0.000 0.823 240 A HN 0.667 nan 8.150 nan 0.000 0.451 241 P HA -0.141 nan 4.420 nan 0.000 0.217 241 P C 1.333 178.927 177.300 0.489 0.000 1.148 241 P CA 0.999 64.335 63.100 0.393 0.000 0.828 241 P CB -0.158 31.657 31.700 0.190 0.000 0.783 242 L N -1.158 120.272 121.223 0.346 0.000 2.131 242 L HA -0.119 4.226 4.340 0.009 0.000 0.206 242 L C 2.662 179.629 176.870 0.162 0.000 1.087 242 L CA 1.335 56.322 54.840 0.244 0.000 0.767 242 L CB -1.044 41.118 42.059 0.173 0.000 0.917 242 L HN -0.050 nan 8.230 nan 0.000 0.441 243 Q N -0.867 119.037 119.800 0.173 0.000 2.124 243 Q HA -0.247 4.098 4.340 0.009 0.000 0.202 243 Q C 2.135 178.231 176.000 0.160 0.000 0.977 243 Q CA 1.829 57.713 55.803 0.134 0.000 0.850 243 Q CB -0.365 28.452 28.738 0.133 0.000 0.901 243 Q HN 0.486 nan 8.270 nan 0.000 0.429 244 Y N 1.436 121.824 120.300 0.146 0.000 2.114 244 Y HA -0.254 4.300 4.550 0.007 0.000 0.284 244 Y C 1.953 177.968 175.900 0.192 0.000 1.143 244 Y CA 1.264 59.468 58.100 0.173 0.000 1.135 244 Y CB -0.593 38.011 38.460 0.240 0.000 0.980 244 Y HN 0.073 nan 8.280 nan 0.000 0.499 245 L N 1.061 122.145 121.223 -0.231 0.000 2.017 245 L HA -0.066 4.279 4.340 0.009 0.000 0.208 245 L C 2.656 179.447 176.870 -0.132 0.000 1.073 245 L CA 2.128 56.819 54.840 -0.248 0.000 0.745 245 L CB -1.586 40.410 42.059 -0.104 0.000 0.894 245 L HN 0.376 nan 8.230 nan 0.000 0.432 246 A N 0.486 123.252 122.820 -0.091 0.000 1.916 246 A HA -0.300 4.025 4.320 0.009 0.000 0.224 246 A C 0.026 177.546 177.584 -0.106 0.000 1.366 246 A CA 2.872 54.861 52.037 -0.079 0.000 0.692 246 A CB -2.588 16.386 19.000 -0.044 0.000 0.841 246 A HN 0.510 nan 8.150 nan 0.000 0.480 247 P HA -0.143 nan 4.420 nan 0.000 0.218 247 P C 0.999 178.164 177.300 -0.223 0.000 1.149 247 P CA 1.452 64.440 63.100 -0.186 0.000 0.817 247 P CB -0.294 31.109 31.700 -0.494 0.000 0.785 248 Y N 0.370 120.609 120.300 -0.101 0.000 2.200 248 Y HA -0.087 4.467 4.550 0.007 0.000 0.290 248 Y C 2.844 178.707 175.900 -0.061 0.000 1.137 248 Y CA 1.228 59.263 58.100 -0.108 0.000 1.163 248 Y CB -1.426 36.913 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 4.274 4.470 0.009 0.000 0.219 249 S C 2.492 177.100 174.600 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 0.290 109.093 108.800 0.004 0.000 2.505 250 G HA2 -0.339 3.627 3.960 0.009 0.000 0.220 250 G HA3 -0.339 3.627 3.960 0.009 0.000 0.220 250 G C 1.781 176.700 174.900 0.032 0.000 1.145 250 G CA 1.266 46.365 45.100 -0.002 0.000 0.761 250 G HN 0.600 nan 8.290 nan 0.000 0.571 251 C N 0.347 119.701 119.300 0.090 0.000 2.413 251 C HA -0.044 4.421 4.460 0.009 0.000 0.276 251 C C 3.259 178.306 174.990 0.094 0.000 1.236 251 C CA 1.788 60.880 59.018 0.124 0.000 1.735 251 C CB -1.057 26.792 27.740 0.182 0.000 2.031 251 C HN 0.367 nan 8.230 nan 0.000 0.474 252 S N 0.444 116.189 115.700 0.074 0.000 2.383 252 S HA -0.195 4.281 4.470 0.009 0.000 0.229 252 S C 1.749 176.381 174.600 0.053 0.000 1.030 252 S CA 2.169 60.401 58.200 0.053 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 0.574 120.202 119.600 0.047 0.000 2.117 253 M HA -0.044 4.441 4.480 0.009 0.000 0.262 253 M C 2.505 178.915 176.300 0.185 0.000 1.065 253 M CA 1.560 56.892 55.300 0.054 0.000 1.114 253 M CB -0.942 31.690 32.600 0.053 0.000 1.361 253 M HN 0.428 nan 8.290 nan 0.000 0.408 254 G N 0.065 108.983 108.800 0.195 0.000 2.432 254 G HA2 -0.180 3.785 3.960 0.009 0.000 0.219 254 G HA3 -0.180 3.785 3.960 0.009 0.000 0.219 254 G C 1.369 176.434 174.900 0.275 0.000 1.135 254 G CA 0.629 45.903 45.100 0.289 0.000 0.767 254 G HN 0.498 nan 8.290 nan 0.000 0.550 255 E N -0.724 119.573 120.200 0.160 0.000 2.150 255 E HA -0.131 4.224 4.350 0.009 0.000 0.193 255 E C 1.913 178.559 176.600 0.076 0.000 0.985 255 E CA 0.669 57.133 56.400 0.107 0.000 0.814 255 E CB -0.213 29.529 29.700 0.070 0.000 0.752 255 E HN 0.634 nan 8.360 nan 0.000 0.466 256 Y N 0.722 120.950 120.300 -0.120 0.000 2.097 256 Y HA -0.312 4.244 4.550 0.010 0.000 0.282 256 Y C 1.710 177.439 175.900 -0.285 0.000 1.152 256 Y CA 1.780 59.713 58.100 -0.278 0.000 1.136 256 Y CB -0.577 37.598 38.460 -0.474 0.000 0.975 256 Y HN -0.063 nan 8.280 nan 0.000 0.498 257 F N 0.566 120.571 119.950 0.092 0.000 2.069 257 F HA -0.198 4.334 4.527 0.008 0.000 0.298 257 F C 2.845 178.573 175.800 -0.120 0.000 1.113 257 F CA 2.059 60.010 58.000 -0.082 0.000 1.214 257 F CB -1.012 38.015 39.000 0.045 0.000 0.978 257 F HN -0.031 nan 8.300 nan 0.000 0.474 258 R N 0.603 121.182 120.500 0.131 0.000 2.096 258 R HA -0.202 4.144 4.340 0.009 0.000 0.240 258 R C 1.654 177.940 176.300 -0.023 0.000 1.139 258 R CA 2.160 58.292 56.100 0.054 0.000 0.952 258 R CB -0.523 29.820 30.300 0.071 0.000 0.854 258 R HN 0.175 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 4.570 4.640 0.009 0.000 0.212 259 D C -0.013 176.198 176.300 -0.148 0.000 0.965 259 D CA 0.996 54.946 54.000 -0.083 0.000 0.879 259 D CB -0.133 40.621 40.800 -0.076 0.000 0.921 259 D HN 0.370 nan 8.370 nan 0.000 0.510 260 N N -0.686 117.867 118.700 -0.246 0.000 2.761 260 N HA 0.335 5.080 4.740 0.009 0.000 0.317 260 N C 0.770 176.177 175.510 -0.173 0.000 1.546 260 N CA 0.003 52.901 53.050 -0.254 0.000 1.015 260 N CB 1.176 39.401 38.487 -0.438 0.000 1.343 260 N HN -0.047 nan 8.380 nan 0.000 0.504 261 G N 0.287 109.008 108.800 -0.131 0.000 2.200 261 G HA2 -0.376 3.589 3.960 0.009 0.000 0.268 261 G HA3 -0.376 3.589 3.960 0.009 0.000 0.268 261 G C 0.337 175.102 174.900 -0.225 0.000 0.986 261 G CA 0.817 45.831 45.100 -0.143 0.000 0.677 261 G HN 0.381 nan 8.290 nan 0.000 0.532 262 K N -0.657 119.632 120.400 -0.185 0.000 2.419 262 K HA 0.598 4.924 4.320 0.009 0.000 0.246 262 K C -0.424 176.024 176.600 -0.253 0.000 1.037 262 K CA -0.848 55.371 56.287 -0.112 0.000 0.982 262 K CB 0.714 33.315 32.500 0.167 0.000 1.283 262 K HN 0.266 nan 8.250 nan 0.000 0.500 263 H N -0.378 118.806 119.070 0.191 0.000 2.823 263 H HA 0.412 4.973 4.556 0.009 0.000 0.332 263 H C -1.005 174.376 175.328 0.087 0.000 0.980 263 H CA -0.570 55.538 56.048 0.099 0.000 1.286 263 H CB 1.702 31.466 29.762 0.003 0.000 1.541 263 H HN 0.691 nan 8.280 nan 0.000 0.521 264 A N 2.929 125.862 122.820 0.189 0.000 2.350 264 A HA 0.649 4.974 4.320 0.009 0.000 0.318 264 A C -1.103 176.505 177.584 0.040 0.000 1.132 264 A CA -0.705 51.378 52.037 0.077 0.000 0.811 264 A CB 1.665 20.737 19.000 0.119 0.000 1.313 264 A HN 0.446 nan 8.150 nan 0.000 0.454 265 L N 1.126 122.347 121.223 -0.003 0.000 2.376 265 L HA 0.724 5.069 4.340 0.009 0.000 0.275 265 L C -1.062 175.773 176.870 -0.059 0.000 0.987 265 L CA -0.295 54.528 54.840 -0.028 0.000 0.828 265 L CB 1.240 43.280 42.059 -0.033 0.000 1.249 265 L HN 0.673 nan 8.230 nan 0.000 0.409 266 I N 5.449 125.943 120.570 -0.127 0.000 2.474 266 I HA 0.542 4.717 4.170 0.009 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 39.163 38.000 -0.434 0.000 1.289 266 I HN 0.608 nan 8.210 nan 0.000 0.436 267 I N 7.884 128.201 120.570 -0.422 0.000 2.411 267 I HA 0.237 4.412 4.170 0.009 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 -0.339 0.000 1.119 267 I CB 1.045 39.008 38.000 -0.063 0.000 1.261 267 I HN 0.422 nan 8.210 nan 0.000 0.448 268 Y N 4.451 124.617 120.300 -0.224 0.000 2.454 268 Y HA 0.314 4.869 4.550 0.008 0.000 0.345 268 Y C 0.130 175.871 175.900 -0.265 0.000 0.970 268 Y CA -0.661 57.275 58.100 -0.273 0.000 1.204 268 Y CB 0.411 38.716 38.460 -0.258 0.000 1.122 268 Y HN 0.389 nan 8.280 nan 0.000 0.514 269 D N 3.692 123.963 120.400 -0.215 0.000 2.462 269 D HA 0.241 4.886 4.640 0.009 0.000 0.245 269 D C -1.260 174.982 176.300 -0.098 0.000 1.122 269 D CA -0.407 53.501 54.000 -0.153 0.000 0.864 269 D CB 0.844 41.503 40.800 -0.234 0.000 1.098 269 D HN 0.600 nan 8.370 nan 0.000 0.541 270 D N 2.066 122.437 120.400 -0.048 0.000 2.374 270 D HA 0.309 4.955 4.640 0.009 0.000 0.239 270 D C 1.330 177.588 176.300 -0.070 0.000 0.991 270 D CA -0.692 53.280 54.000 -0.046 0.000 0.960 270 D CB 2.021 42.809 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 0.009 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 -0.224 0.000 0.835 271 L CB -0.142 41.566 42.059 -0.586 0.000 0.953 271 L HN 0.355 nan 8.230 nan 0.000 0.454 272 S N 0.547 116.238 115.700 -0.016 0.000 2.351 272 S HA -0.196 4.279 4.470 0.009 0.000 0.220 272 S C 1.903 176.561 174.600 0.097 0.000 1.035 272 S CA 1.502 59.731 58.200 0.048 0.000 1.031 272 S CB -0.070 63.153 63.200 0.038 0.000 0.928 272 S HN 0.400 nan 8.310 nan 0.000 0.433 273 K N 0.991 121.436 120.400 0.074 0.000 2.211 273 K HA -0.076 4.249 4.320 0.009 0.000 0.203 273 K C 2.362 179.035 176.600 0.122 0.000 1.050 273 K CA 0.722 57.066 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 0.415 nan 8.250 nan 0.000 0.451 274 Q N 1.172 121.038 119.800 0.110 0.000 2.079 274 Q HA -0.134 4.211 4.340 0.009 0.000 0.200 274 Q C 2.119 178.264 176.000 0.243 0.000 0.974 274 Q CA 1.374 57.270 55.803 0.154 0.000 0.840 274 Q CB -0.090 28.701 28.738 0.089 0.000 0.898 274 Q HN 0.303 nan 8.270 nan 0.000 0.430 275 A N 0.811 123.779 122.820 0.246 0.000 1.908 275 A HA -0.183 4.142 4.320 0.009 0.000 0.218 275 A C 2.185 180.001 177.584 0.387 0.000 1.181 275 A CA 2.077 54.265 52.037 0.250 0.000 0.627 275 A CB -1.108 17.953 19.000 0.100 0.000 0.818 275 A HN 0.466 nan 8.150 nan 0.000 0.445 276 V N -2.759 117.347 119.914 0.319 0.000 2.667 276 V HA 0.062 4.187 4.120 0.009 0.000 0.252 276 V C 2.430 178.625 176.094 0.168 0.000 1.065 276 V CA 1.687 64.135 62.300 0.246 0.000 1.083 276 V CB -1.260 30.660 31.823 0.161 0.000 0.692 276 V HN 0.524 nan 8.190 nan 0.000 0.468 277 A N -0.289 122.646 122.820 0.191 0.000 1.873 277 A HA -0.163 4.163 4.320 0.009 0.000 0.215 277 A C 2.201 179.900 177.584 0.191 0.000 1.186 277 A CA 1.919 54.063 52.037 0.178 0.000 0.616 277 A CB -1.011 18.119 19.000 0.216 0.000 0.823 277 A HN 0.730 nan 8.150 nan 0.000 0.442 278 Y N 0.703 121.055 120.300 0.088 0.000 2.224 278 Y HA -0.173 4.381 4.550 0.008 0.000 0.289 278 Y C 2.452 178.339 175.900 -0.023 0.000 1.146 278 Y CA 1.819 59.900 58.100 -0.033 0.000 1.182 278 Y CB -0.412 38.039 38.460 -0.015 0.000 0.983 278 Y HN 0.382 nan 8.280 nan 0.000 0.524 279 R N 0.283 120.780 120.500 -0.005 0.000 2.092 279 R HA -0.203 4.143 4.340 0.009 0.000 0.231 279 R C 2.402 178.609 176.300 -0.155 0.000 1.119 279 R CA 1.672 57.694 56.100 -0.129 0.000 0.970 279 R CB -0.457 29.791 30.300 -0.088 0.000 0.864 279 R HN 0.549 nan 8.270 nan 0.000 0.440 280 Q N 0.450 120.206 119.800 -0.074 0.000 2.096 280 Q HA -0.210 4.135 4.340 0.009 0.000 0.204 280 Q C 2.049 177.988 176.000 -0.102 0.000 0.982 280 Q CA 2.102 57.863 55.803 -0.070 0.000 0.850 280 Q CB -0.079 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 0.008 119.536 119.600 -0.120 0.000 2.065 281 M HA -0.178 4.307 4.480 0.009 0.000 0.259 281 M C 2.378 178.549 176.300 -0.216 0.000 1.069 281 M CA 1.877 57.087 55.300 -0.150 0.000 1.110 281 M CB -0.158 32.356 32.600 -0.144 0.000 1.328 281 M HN 0.137 nan 8.290 nan 0.000 0.405 282 S N 0.887 116.367 115.700 -0.366 0.000 2.370 282 S HA -0.097 4.378 4.470 0.009 0.000 0.226 282 S C 1.899 176.384 174.600 -0.192 0.000 1.033 282 S CA 1.218 59.216 58.200 -0.336 0.000 1.011 282 S CB -0.586 62.325 63.200 -0.481 0.000 0.852 282 S HN 0.395 nan 8.310 nan 0.000 0.457 283 L N 0.875 122.000 121.223 -0.162 0.000 2.093 283 L HA -0.025 4.320 4.340 0.009 0.000 0.208 283 L C 2.196 179.012 176.870 -0.090 0.000 1.085 283 L CA 0.936 55.709 54.840 -0.112 0.000 0.755 283 L CB -0.630 41.368 42.059 -0.103 0.000 0.904 283 L HN 0.288 nan 8.230 nan 0.000 0.435 284 L N -0.500 120.668 121.223 -0.091 0.000 2.201 284 L HA -0.177 4.168 4.340 0.009 0.000 0.212 284 L C 2.266 179.096 176.870 -0.067 0.000 1.105 284 L CA 0.892 55.690 54.840 -0.070 0.000 0.775 284 L CB -0.264 41.757 42.059 -0.062 0.000 0.913 284 L HN 0.274 nan 8.230 nan 0.000 0.440 285 L N -0.752 120.421 121.223 -0.082 0.000 2.552 285 L HA 0.028 4.373 4.340 0.009 0.000 0.227 285 L C 0.888 177.725 176.870 -0.054 0.000 1.146 285 L CA 0.380 55.181 54.840 -0.065 0.000 0.858 285 L CB -0.062 41.952 42.059 -0.075 0.000 0.969 285 L HN 0.239 nan 8.230 nan 0.000 0.451 286 R N -0.472 119.992 120.500 -0.060 0.000 3.762 286 R HA -0.128 4.217 4.340 0.009 0.000 0.328 286 R C -0.072 176.200 176.300 -0.047 0.000 1.164 286 R CA 0.212 56.283 56.100 -0.049 0.000 0.861 286 R CB -1.636 28.643 30.300 -0.035 0.000 1.408 286 R HN 0.318 nan 8.270 nan 0.000 0.502 287 R N 1.883 122.347 120.500 -0.061 0.000 2.438 287 R HA 0.178 4.523 4.340 0.009 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 0.294 30.558 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 -2.362 174.932 177.300 -0.010 0.000 1.161 288 P CA -0.594 62.498 63.100 -0.014 0.000 0.768 288 P CB -0.208 31.491 31.700 -0.003 0.000 0.746 289 P HA 0.207 nan 4.420 nan 0.000 0.276 289 P C 0.392 177.698 177.300 0.010 0.000 1.230 289 P CA 0.219 63.311 63.100 -0.014 0.000 0.776 289 P CB 1.238 32.916 31.700 -0.038 0.000 0.888 290 G N 2.376 111.204 108.800 0.048 0.000 3.286 290 G HA2 0.325 4.290 3.960 0.009 0.000 0.166 290 G HA3 0.325 4.290 3.960 0.009 0.000 0.166 290 G C -0.505 174.408 174.900 0.023 0.000 1.155 290 G CA -0.844 44.276 45.100 0.033 0.000 0.871 290 G HN 0.544 nan 8.290 nan 0.000 0.637 291 R N 0.702 121.165 120.500 -0.061 0.000 2.523 291 R HA 0.031 4.377 4.340 0.009 0.000 0.281 291 R C 0.116 176.489 176.300 0.122 0.000 0.969 291 R CA 1.115 57.134 56.100 -0.135 0.000 1.093 291 R CB -0.287 29.631 30.300 -0.636 0.000 0.917 291 R HN 0.680 nan 8.270 nan 0.000 0.408 292 E N 2.583 122.855 120.200 0.121 0.000 2.660 292 E HA -0.346 4.009 4.350 0.009 0.000 0.260 292 E C 0.366 176.970 176.600 0.005 0.000 1.122 292 E CA 0.514 57.009 56.400 0.159 0.000 0.755 292 E CB -1.164 28.764 29.700 0.381 0.000 1.345 292 E HN 0.880 nan 8.360 nan 0.000 0.421 293 A N -2.361 120.454 122.820 -0.009 0.000 3.413 293 A HA -0.308 4.017 4.320 0.009 0.000 0.268 293 A C 0.057 177.574 177.584 -0.111 0.000 1.128 293 A CA 1.787 53.771 52.037 -0.088 0.000 1.062 293 A CB -1.965 16.947 19.000 -0.147 0.000 1.121 293 A HN 0.430 nan 8.150 nan 0.000 0.895 294 Y N 0.897 121.270 120.300 0.120 0.000 2.346 294 Y HA 0.432 4.987 4.550 0.008 0.000 0.330 294 Y C -1.358 174.610 175.900 0.113 0.000 1.178 294 Y CA -1.233 56.945 58.100 0.129 0.000 1.331 294 Y CB 0.370 38.962 38.460 0.219 0.000 1.253 294 Y HN 0.239 nan 8.280 nan 0.000 0.529 295 P HA -0.007 nan 4.420 nan 0.000 0.269 295 P C 0.668 178.088 177.300 0.201 0.000 1.215 295 P CA 0.178 63.343 63.100 0.108 0.000 0.780 295 P CB 0.903 32.580 31.700 -0.038 0.000 0.898 296 G N 2.128 111.025 108.800 0.161 0.000 2.485 296 G HA2 -0.237 3.728 3.960 0.009 0.000 0.221 296 G HA3 -0.237 3.728 3.960 0.009 0.000 0.221 296 G C 0.721 175.752 174.900 0.217 0.000 1.115 296 G CA 0.731 45.939 45.100 0.179 0.000 0.751 296 G HN 0.640 nan 8.290 nan 0.000 0.567 297 D N 0.737 121.279 120.400 0.238 0.000 2.368 297 D HA -0.003 4.642 4.640 0.009 0.000 0.218 297 D C 2.173 178.645 176.300 0.287 0.000 1.112 297 D CA 0.426 54.602 54.000 0.293 0.000 0.834 297 D CB -0.365 40.627 40.800 0.320 0.000 0.953 297 D HN 0.318 nan 8.370 nan 0.000 0.505 298 V N -1.932 118.117 119.914 0.226 0.000 2.867 298 V HA -0.134 3.991 4.120 0.009 0.000 0.260 298 V C 2.160 178.176 176.094 -0.129 0.000 1.099 298 V CA 0.942 63.257 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 0.160 nan 8.190 nan 0.000 0.490 299 F N 0.875 120.771 119.950 -0.089 0.000 2.206 299 F HA -0.058 4.475 4.527 0.009 0.000 0.298 299 F C 2.228 178.044 175.800 0.027 0.000 1.090 299 F CA 1.506 59.462 58.000 -0.074 0.000 1.323 299 F CB -0.439 38.565 39.000 0.008 0.000 1.028 299 F HN 0.179 nan 8.300 nan 0.000 0.492 300 Y N 0.735 120.997 120.300 -0.063 0.000 2.314 300 Y HA -0.102 4.454 4.550 0.009 0.000 0.293 300 Y C 2.072 177.855 175.900 -0.194 0.000 1.129 300 Y CA 1.317 59.314 58.100 -0.172 0.000 1.201 300 Y CB -0.755 37.726 38.460 0.034 0.000 0.999 300 Y HN 0.218 nan 8.280 nan 0.000 0.541 301 L N -0.070 120.986 121.223 -0.277 0.000 2.089 301 L HA -0.290 4.055 4.340 0.009 0.000 0.213 301 L C 2.053 178.809 176.870 -0.189 0.000 1.079 301 L CA 2.379 57.015 54.840 -0.339 0.000 0.758 301 L CB -0.740 41.044 42.059 -0.458 0.000 0.891 301 L HN 0.405 nan 8.230 nan 0.000 0.433 302 H N -2.236 116.646 119.070 -0.313 0.000 2.418 302 H HA 0.017 4.578 4.556 0.008 0.000 0.300 302 H C 2.317 177.404 175.328 -0.401 0.000 1.041 302 H CA 0.705 56.540 56.048 -0.356 0.000 1.364 302 H CB 0.069 29.638 29.762 -0.323 0.000 1.439 302 H HN 0.471 nan 8.280 nan 0.000 0.540 303 S N 1.960 117.394 115.700 -0.442 0.000 2.368 303 S HA -0.245 4.230 4.470 0.009 0.000 0.225 303 S C 2.107 176.597 174.600 -0.183 0.000 1.030 303 S CA 1.258 59.226 58.200 -0.386 0.000 0.999 303 S CB -0.368 62.491 63.200 -0.569 0.000 0.844 303 S HN 0.504 nan 8.310 nan 0.000 0.459 304 R N 1.226 121.596 120.500 -0.217 0.000 2.080 304 R HA -0.060 4.285 4.340 0.009 0.000 0.236 304 R C 2.322 178.574 176.300 -0.079 0.000 1.137 304 R CA 1.479 57.479 56.100 -0.167 0.000 0.943 304 R CB -1.125 28.914 30.300 -0.435 0.000 0.846 304 R HN 0.400 nan 8.270 nan 0.000 0.431 305 L N 1.613 122.800 121.223 -0.059 0.000 1.956 305 L HA -0.133 4.212 4.340 0.009 0.000 0.216 305 L C 2.294 179.088 176.870 -0.127 0.000 1.073 305 L CA 1.767 56.552 54.840 -0.091 0.000 0.762 305 L CB -0.554 41.288 42.059 -0.362 0.000 0.889 305 L HN 0.273 nan 8.230 nan 0.000 0.433 306 L N -0.399 120.721 121.223 -0.171 0.000 2.549 306 L HA -0.090 4.255 4.340 0.009 0.000 0.229 306 L C 2.333 179.180 176.870 -0.039 0.000 1.158 306 L CA 0.411 55.191 54.840 -0.100 0.000 0.842 306 L CB -0.626 41.355 42.059 -0.129 0.000 0.952 306 L HN 0.377 nan 8.230 nan 0.000 0.452 307 E N 0.428 120.607 120.200 -0.034 0.000 2.285 307 E HA -0.107 4.248 4.350 0.009 0.000 0.194 307 E C 2.104 178.708 176.600 0.007 0.000 0.997 307 E CA 0.544 56.940 56.400 -0.007 0.000 0.845 307 E CB 0.139 29.841 29.700 0.002 0.000 0.782 307 E HN 0.514 nan 8.360 nan 0.000 0.491 308 R N 0.722 121.231 120.500 0.015 0.000 2.235 308 R HA 0.053 4.398 4.340 0.009 0.000 0.213 308 R C 1.058 177.385 176.300 0.044 0.000 1.059 308 R CA 0.432 56.551 56.100 0.032 0.000 0.997 308 R CB -0.060 30.270 30.300 0.050 0.000 0.884 308 R HN -0.066 nan 8.270 nan 0.000 0.462 309 A N 1.164 124.013 122.820 0.048 0.000 2.425 309 A HA 0.599 4.925 4.320 0.009 0.000 0.249 309 A C -0.057 177.546 177.584 0.033 0.000 1.084 309 A CA 0.246 52.314 52.037 0.052 0.000 0.781 309 A CB 0.450 19.483 19.000 0.055 0.000 1.019 309 A HN 0.320 nan 8.150 nan 0.000 0.490 310 A N 1.368 124.208 122.820 0.034 0.000 2.569 310 A HA 0.608 4.933 4.320 0.009 0.000 0.292 310 A C -1.045 176.560 177.584 0.034 0.000 1.032 310 A CA -0.635 51.414 52.037 0.021 0.000 0.669 310 A CB 0.798 19.801 19.000 0.005 0.000 1.290 310 A HN 1.114 nan 8.150 nan 0.000 0.422 311 K N 2.209 122.625 120.400 0.026 0.000 2.389 311 K HA 0.613 4.939 4.320 0.009 0.000 0.261 311 K C -0.341 176.278 176.600 0.033 0.000 1.014 311 K CA -0.429 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 2.453 122.081 119.600 0.046 0.000 2.202 312 M HA 0.203 4.688 4.480 0.009 0.000 0.316 312 M C 0.458 176.808 176.300 0.084 0.000 1.138 312 M CA -0.429 54.896 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 0.717 nan 8.290 nan 0.000 0.471 313 N N 0.169 118.944 118.700 0.125 0.000 2.491 313 N HA 0.214 4.959 4.740 0.009 0.000 0.279 313 N C 0.032 175.636 175.510 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 -0.221 120.241 120.400 0.104 0.000 2.116 314 D HA -0.177 4.468 4.640 0.009 0.000 0.193 314 D C 1.675 177.997 176.300 0.037 0.000 0.998 314 D CA 2.173 56.211 54.000 0.063 0.000 0.836 314 D CB -0.846 39.977 40.800 0.038 0.000 0.951 314 D HN 0.720 nan 8.370 nan 0.000 0.449 315 A N -0.542 122.300 122.820 0.036 0.000 2.186 315 A HA -0.139 4.186 4.320 0.009 0.000 0.219 315 A C 1.197 178.551 177.584 -0.382 0.000 1.159 315 A CA 0.919 52.871 52.037 -0.141 0.000 0.680 315 A CB -0.591 18.327 19.000 -0.137 0.000 0.787 315 A HN 0.209 nan 8.150 nan 0.000 0.467 316 F N -2.183 117.759 119.950 -0.012 0.000 2.724 316 F HA 0.439 4.971 4.527 0.009 0.000 0.310 316 F C 1.588 177.369 175.800 -0.032 0.000 1.107 316 F CA 0.366 58.353 58.000 -0.020 0.000 1.218 316 F CB 0.776 39.768 39.000 -0.014 0.000 1.042 316 F HN 0.281 nan 8.300 nan 0.000 0.540 317 G N -0.479 108.362 108.800 0.068 0.000 2.278 317 G HA2 -0.049 3.916 3.960 0.009 0.000 0.210 317 G HA3 -0.049 3.916 3.960 0.009 0.000 0.210 317 G C 1.341 176.250 174.900 0.014 0.000 1.000 317 G CA -0.064 45.045 45.100 0.015 0.000 0.635 317 G HN 1.001 nan 8.290 nan 0.000 0.495 318 G N -0.192 108.645 108.800 0.061 0.000 2.189 318 G HA2 0.112 4.077 3.960 0.009 0.000 0.267 318 G HA3 0.112 4.077 3.960 0.009 0.000 0.267 318 G C 1.739 176.668 174.900 0.049 0.000 0.975 318 G CA 1.261 46.402 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 4.583 3.960 0.009 0.000 0.271 319 G HA3 0.618 4.583 3.960 0.009 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 -2.131 113.642 115.700 0.122 0.000 2.595 320 S HA 0.516 4.992 4.470 0.009 0.000 0.270 320 S C -1.778 172.924 174.600 0.171 0.000 1.145 320 S CA -0.805 57.515 58.200 0.201 0.000 0.825 320 S CB 1.670 65.049 63.200 0.299 0.000 1.107 320 S HN 1.283 nan 8.310 nan 0.000 0.461 321 L N 1.558 122.848 121.223 0.112 0.000 2.409 321 L HA 0.791 5.136 4.340 0.009 0.000 0.272 321 L C -0.841 176.061 176.870 0.054 0.000 0.980 321 L CA 0.219 55.113 54.840 0.091 0.000 0.826 321 L CB 1.936 44.048 42.059 0.089 0.000 1.268 321 L HN 0.943 nan 8.230 nan 0.000 0.407 322 T N 4.503 119.074 114.554 0.029 0.000 2.770 322 T HA 0.825 5.180 4.350 0.009 0.000 0.283 322 T C -0.396 174.298 174.700 -0.009 0.000 0.988 322 T CA -0.294 61.807 62.100 0.002 0.000 0.957 322 T CB 1.307 70.161 68.868 -0.023 0.000 0.930 322 T HN 0.789 nan 8.240 nan 0.000 0.443 323 A N 3.768 126.594 122.820 0.010 0.000 2.318 323 A HA 0.754 5.080 4.320 0.009 0.000 0.324 323 A C -0.360 177.230 177.584 0.010 0.000 1.170 323 A CA -0.680 51.368 52.037 0.019 0.000 0.810 323 A CB 0.485 19.576 19.000 0.151 0.000 1.198 323 A HN 0.882 nan 8.150 nan 0.000 0.484 324 L N 4.969 126.180 121.223 -0.020 0.000 2.435 324 L HA 0.314 4.659 4.340 0.009 0.000 0.253 324 L C -2.267 174.608 176.870 0.008 0.000 1.087 324 L CA -1.738 53.094 54.840 -0.013 0.000 0.950 324 L CB 1.421 43.467 42.059 -0.021 0.000 1.304 324 L HN 0.508 nan 8.230 nan 0.000 0.453 325 P HA 0.177 nan 4.420 nan 0.000 0.278 325 P C -0.536 176.746 177.300 -0.030 0.000 1.238 325 P CA -0.173 62.964 63.100 0.061 0.000 0.794 325 P CB 2.056 33.736 31.700 -0.035 0.000 0.955 326 V N 3.992 123.880 119.914 -0.043 0.000 2.581 326 V HA 0.441 4.566 4.120 0.009 0.000 0.303 326 V C 0.310 176.362 176.094 -0.071 0.000 1.041 326 V CA -0.631 61.639 62.300 -0.049 0.000 0.907 326 V CB 1.787 33.596 31.823 -0.023 0.000 0.994 326 V HN 0.424 nan 8.190 nan 0.000 0.442 327 I N 3.044 123.578 120.570 -0.061 0.000 2.499 327 I HA 0.398 4.573 4.170 0.009 0.000 0.288 327 I C -0.136 175.969 176.117 -0.019 0.000 1.048 327 I CA -0.401 60.868 61.300 -0.052 0.000 1.062 327 I CB 2.025 39.985 38.000 -0.066 0.000 1.238 327 I HN 0.778 nan 8.210 nan 0.000 0.426 328 E N 5.615 125.815 120.200 0.001 0.000 2.081 328 E HA 0.331 4.686 4.350 0.009 0.000 0.276 328 E C -0.500 176.120 176.600 0.034 0.000 0.950 328 E CA -0.323 56.087 56.400 0.017 0.000 0.776 328 E CB 1.057 30.770 29.700 0.021 0.000 1.094 328 E HN 0.690 nan 8.360 nan 0.000 0.402 329 T N 1.926 116.505 114.554 0.041 0.000 2.882 329 T HA 0.267 4.622 4.350 0.009 0.000 0.287 329 T C 0.160 174.891 174.700 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 70.392 68.868 0.076 0.000 1.001 329 T HN 0.348 nan 8.240 nan 0.000 0.525 330 Q N 0.452 120.286 119.800 0.056 0.000 2.256 330 Q HA 0.528 4.873 4.340 0.009 0.000 0.257 330 Q C 0.585 176.609 176.000 0.040 0.000 0.936 330 Q CA -0.289 55.542 55.803 0.046 0.000 0.903 330 Q CB 1.534 30.302 28.738 0.050 0.000 1.263 330 Q HN 1.213 nan 8.270 nan 0.000 0.440 331 A N 2.021 124.858 122.820 0.028 0.000 2.665 331 A HA -0.200 4.126 4.320 0.009 0.000 0.301 331 A C 1.181 178.779 177.584 0.022 0.000 1.509 331 A CA 1.360 53.408 52.037 0.018 0.000 0.789 331 A CB -2.194 16.815 19.000 0.015 0.000 1.024 331 A HN 1.524 nan 8.150 nan 0.000 0.460 332 G N -1.016 107.803 108.800 0.032 0.000 2.212 332 G HA2 -0.281 3.685 3.960 0.009 0.000 0.267 332 G HA3 -0.281 3.685 3.960 0.009 0.000 0.267 332 G C 0.037 174.965 174.900 0.048 0.000 1.002 332 G CA 1.101 46.225 45.100 0.040 0.000 0.729 332 G HN 1.615 nan 8.290 nan 0.000 0.517 333 D N 0.379 120.810 120.400 0.053 0.000 2.416 333 D HA 0.316 4.961 4.640 0.009 0.000 0.240 333 D C 1.628 177.980 176.300 0.087 0.000 1.250 333 D CA 0.337 54.373 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 1.549 121.526 119.914 0.105 0.000 3.563 334 V HA 0.153 4.278 4.120 0.009 0.000 0.299 334 V C 1.145 177.317 176.094 0.130 0.000 1.290 334 V CA 0.369 62.764 62.300 0.158 0.000 1.201 334 V CB 0.049 32.053 31.823 0.302 0.000 1.045 334 V HN 0.313 nan 8.190 nan 0.000 0.425 335 S N 0.502 116.262 115.700 0.099 0.000 2.524 335 S HA 0.565 5.041 4.470 0.009 0.000 0.215 335 S C 1.362 176.026 174.600 0.106 0.000 0.986 335 S CA 0.335 58.591 58.200 0.094 0.000 0.911 335 S CB 0.062 63.304 63.200 0.070 0.000 0.805 335 S HN 0.968 nan 8.310 nan 0.000 0.501 336 A N 0.743 123.630 122.820 0.111 0.000 2.521 336 A HA 0.129 4.455 4.320 0.009 0.000 0.237 336 A C 0.933 178.629 177.584 0.187 0.000 1.087 336 A CA 0.108 52.228 52.037 0.139 0.000 0.777 336 A CB -0.252 18.825 19.000 0.127 0.000 1.035 336 A HN 0.415 nan 8.150 nan 0.000 0.510 337 Y N 1.157 121.489 120.300 0.052 0.000 2.097 337 Y HA -0.209 4.346 4.550 0.009 0.000 0.282 337 Y C 1.830 177.730 175.900 -0.001 0.000 1.152 337 Y CA 2.333 60.453 58.100 0.033 0.000 1.136 337 Y CB -0.605 37.888 38.460 0.055 0.000 0.975 337 Y HN 0.519 nan 8.280 nan 0.000 0.498 338 I N 0.382 120.886 120.570 -0.110 0.000 2.142 338 I HA -0.190 3.986 4.170 0.009 0.000 0.240 338 I C -0.635 175.443 176.117 -0.065 0.000 1.078 338 I CA 1.506 62.667 61.300 -0.231 0.000 1.343 338 I CB -1.939 35.883 38.000 -0.298 0.000 1.046 338 I HN 0.131 nan 8.210 nan 0.000 0.405 339 P HA -0.196 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 2.611 65.724 63.100 0.022 0.000 0.874 339 P CB -0.487 31.247 31.700 0.056 0.000 0.790 340 T N -3.244 111.353 114.554 0.072 0.000 2.684 340 T HA -0.203 4.153 4.350 0.009 0.000 0.267 340 T C 1.746 176.501 174.700 0.092 0.000 1.036 340 T CA 1.589 63.744 62.100 0.091 0.000 1.148 340 T CB -1.409 67.528 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 -0.116 4.630 4.740 0.009 0.000 0.200 341 N C 1.991 177.596 175.510 0.160 0.000 1.042 341 N CA 1.726 54.867 53.050 0.151 0.000 0.871 341 N CB -1.175 37.343 38.487 0.053 0.000 1.063 341 N HN 0.365 nan 8.380 nan 0.000 0.438 342 V N 1.230 121.188 119.914 0.072 0.000 2.469 342 V HA -0.173 3.953 4.120 0.009 0.000 0.251 342 V C 2.193 178.291 176.094 0.008 0.000 1.064 342 V CA 1.183 63.492 62.300 0.015 0.000 1.066 342 V CB -0.485 31.302 31.823 -0.061 0.000 0.667 342 V HN 0.292 nan 8.190 nan 0.000 0.461 343 I N 1.042 121.623 120.570 0.018 0.000 2.394 343 I HA -0.159 4.016 4.170 0.009 0.000 0.251 343 I C 2.311 178.453 176.117 0.042 0.000 1.136 343 I CA 1.637 62.939 61.300 0.003 0.000 1.425 343 I CB -0.236 37.770 38.000 0.010 0.000 1.079 343 I HN 0.471 nan 8.210 nan 0.000 0.425 344 S N -0.170 115.585 115.700 0.093 0.000 2.701 344 S HA 0.170 4.645 4.470 0.009 0.000 0.220 344 S C 1.312 176.014 174.600 0.170 0.000 0.954 344 S CA 0.147 58.424 58.200 0.128 0.000 0.936 344 S CB -0.309 62.977 63.200 0.144 0.000 0.777 344 S HN 0.435 nan 8.310 nan 0.000 0.518 345 I N 0.778 121.414 120.570 0.110 0.000 3.873 345 I HA 0.089 4.264 4.170 0.009 0.000 0.284 345 I C 1.492 177.620 176.117 0.020 0.000 1.186 345 I CA 0.445 61.787 61.300 0.070 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 -1.342 113.209 114.554 -0.006 0.000 2.689 346 T HA 0.069 4.425 4.350 0.009 0.000 0.308 346 T C 0.312 175.007 174.700 -0.007 0.000 1.021 346 T CA -0.099 61.989 62.100 -0.020 0.000 0.973 346 T CB 0.559 69.400 68.868 -0.046 0.000 1.113 346 T HN 0.067 nan 8.240 nan 0.000 0.522 347 D N 0.212 120.605 120.400 -0.012 0.000 2.643 347 D HA 0.430 5.075 4.640 0.009 0.000 0.244 347 D C 0.706 176.999 176.300 -0.011 0.000 1.257 347 D CA 0.047 54.044 54.000 -0.005 0.000 0.831 347 D CB 0.155 40.954 40.800 -0.002 0.000 1.043 347 D HN 0.954 nan 8.370 nan 0.000 0.488 348 G N 0.725 109.509 108.800 -0.026 0.000 2.361 348 G HA2 0.249 4.214 3.960 0.009 0.000 0.305 348 G HA3 0.249 4.214 3.960 0.009 0.000 0.305 348 G C -1.888 172.956 174.900 -0.094 0.000 1.367 348 G CA -0.880 44.198 45.100 -0.037 0.000 0.951 348 G HN 0.018 nan 8.290 nan 0.000 0.615 349 Q N -1.316 118.399 119.800 -0.142 0.000 2.501 349 Q HA 0.810 5.155 4.340 0.009 0.000 0.288 349 Q C -0.835 175.033 176.000 -0.219 0.000 1.051 349 Q CA -0.685 54.948 55.803 -0.283 0.000 0.788 349 Q CB 2.290 30.649 28.738 -0.632 0.000 1.469 349 Q HN 0.682 nan 8.270 nan 0.000 0.416 350 I N 2.002 122.441 120.570 -0.218 0.000 2.466 350 I HA 0.390 4.565 4.170 0.009 0.000 0.279 350 I C -1.306 174.783 176.117 -0.046 0.000 1.033 350 I CA -0.461 60.803 61.300 -0.060 0.000 1.123 350 I CB 0.578 38.572 38.000 -0.010 0.000 1.237 350 I HN 0.426 nan 8.210 nan 0.000 0.460 351 F N 6.399 126.363 119.950 0.022 0.000 2.405 351 F HA 0.496 5.028 4.527 0.009 0.000 0.355 351 F C 0.059 175.877 175.800 0.030 0.000 1.121 351 F CA -0.899 57.114 58.000 0.022 0.000 1.112 351 F CB 0.495 39.509 39.000 0.022 0.000 1.126 351 F HN 0.103 nan 8.300 nan 0.000 0.481 352 L N 3.720 125.070 121.223 0.211 0.000 2.289 352 L HA 0.446 4.791 4.340 0.009 0.000 0.285 352 L C 0.020 176.966 176.870 0.128 0.000 1.049 352 L CA -0.592 54.333 54.840 0.142 0.000 0.804 352 L CB 1.080 43.187 42.059 0.080 0.000 1.195 352 L HN 0.583 nan 8.230 nan 0.000 0.428 353 E N 1.477 121.752 120.200 0.125 0.000 2.166 353 E HA 0.201 4.556 4.350 0.009 0.000 0.275 353 E C 0.260 176.940 176.600 0.133 0.000 0.941 353 E CA -0.416 56.044 56.400 0.101 0.000 0.784 353 E CB 2.106 31.857 29.700 0.085 0.000 1.115 353 E HN 0.573 nan 8.360 nan 0.000 0.399 354 T N 2.163 116.777 114.554 0.100 0.000 2.720 354 T HA -0.170 4.185 4.350 0.009 0.000 0.268 354 T C 1.404 176.243 174.700 0.232 0.000 1.037 354 T CA 1.047 63.242 62.100 0.159 0.000 1.144 354 T CB 0.060 68.952 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 -0.109 4.246 4.350 0.009 0.000 0.199 355 E C 2.370 179.087 176.600 0.194 0.000 1.011 355 E CA 1.038 57.500 56.400 0.103 0.000 0.815 355 E CB -0.559 29.173 29.700 0.054 0.000 0.755 355 E HN 0.461 nan 8.360 nan 0.000 0.451 356 L N -0.041 121.291 121.223 0.181 0.000 1.997 356 L HA -0.240 4.105 4.340 0.009 0.000 0.216 356 L C 2.579 179.589 176.870 0.233 0.000 1.074 356 L CA 1.443 56.391 54.840 0.180 0.000 0.763 356 L CB -0.619 41.535 42.059 0.160 0.000 0.890 356 L HN 0.074 nan 8.230 nan 0.000 0.434 357 F N -0.233 119.804 119.950 0.144 0.000 2.063 357 F HA -0.329 4.203 4.527 0.009 0.000 0.298 357 F C 2.456 178.317 175.800 0.101 0.000 1.109 357 F CA 1.814 59.890 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 0.066 120.462 120.300 0.161 0.000 2.163 358 Y HA -0.179 4.376 4.550 0.008 0.000 0.288 358 Y C 2.421 178.324 175.900 0.004 0.000 1.136 358 Y CA 1.779 59.916 58.100 0.061 0.000 1.147 358 Y CB -0.985 37.531 38.460 0.094 0.000 0.987 358 Y HN -0.026 nan 8.280 nan 0.000 0.509 359 K N -0.003 120.515 120.400 0.197 0.000 2.589 359 K HA -0.086 4.239 4.320 0.009 0.000 0.195 359 K C 1.120 177.741 176.600 0.035 0.000 1.040 359 K CA 0.861 57.209 56.287 0.102 0.000 0.950 359 K CB -0.553 32.009 32.500 0.103 0.000 0.781 359 K HN 0.545 nan 8.250 nan 0.000 0.486 360 G N 0.477 109.263 108.800 -0.023 0.000 2.141 360 G HA2 -0.196 3.769 3.960 0.009 0.000 0.242 360 G HA3 -0.196 3.769 3.960 0.009 0.000 0.242 360 G C -0.009 174.852 174.900 -0.066 0.000 0.982 360 G CA 0.076 45.125 45.100 -0.086 0.000 0.662 360 G HN 0.235 nan 8.290 nan 0.000 0.527 361 I N 1.327 121.888 120.570 -0.016 0.000 2.297 361 I HA 0.464 4.639 4.170 0.009 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 0.693 38.726 38.000 0.053 0.000 1.396 361 I HN 0.118 nan 8.210 nan 0.000 0.476 362 R N 6.998 127.486 120.500 -0.021 0.000 2.564 362 R HA 0.420 4.765 4.340 0.009 0.000 0.284 362 R C -2.789 173.520 176.300 0.014 0.000 1.031 362 R CA -1.797 54.304 56.100 0.002 0.000 0.904 362 R CB 2.431 32.657 30.300 -0.124 0.000 1.199 362 R HN 0.284 nan 8.270 nan 0.000 0.443 363 P HA -0.019 nan 4.420 nan 0.000 0.264 363 P C 0.084 177.465 177.300 0.135 0.000 1.193 363 P CA 0.050 63.211 63.100 0.102 0.000 0.763 363 P CB 0.674 32.421 31.700 0.078 0.000 0.810 364 A N 4.866 127.823 122.820 0.229 0.000 2.253 364 A HA 0.021 4.347 4.320 0.009 0.000 0.225 364 A C 0.933 178.616 177.584 0.164 0.000 1.521 364 A CA -0.100 52.078 52.037 0.235 0.000 1.494 364 A CB -1.561 17.669 19.000 0.383 0.000 0.804 364 A HN 0.525 nan 8.150 nan 0.000 0.614 365 I N 0.748 121.396 120.570 0.130 0.000 2.692 365 I HA -0.036 4.140 4.170 0.009 0.000 0.284 365 I C 0.743 176.931 176.117 0.117 0.000 1.159 365 I CA -0.097 61.276 61.300 0.122 0.000 1.423 365 I CB 0.514 38.573 38.000 0.099 0.000 1.380 365 I HN 0.361 nan 8.210 nan 0.000 0.580 366 N N 6.188 124.968 118.700 0.133 0.000 2.678 366 N HA 0.103 4.848 4.740 0.009 0.000 0.231 366 N C 0.545 176.114 175.510 0.098 0.000 1.038 366 N CA -0.179 52.924 53.050 0.088 0.000 0.932 366 N CB 1.311 39.812 38.487 0.024 0.000 1.176 366 N HN 0.403 nan 8.380 nan 0.000 0.511 367 V N 2.883 122.846 119.914 0.082 0.000 2.688 367 V HA -0.129 3.996 4.120 0.009 0.000 0.256 367 V C 2.166 178.301 176.094 0.068 0.000 1.084 367 V CA 2.203 64.551 62.300 0.079 0.000 1.103 367 V CB -0.606 31.259 31.823 0.070 0.000 0.688 367 V HN 0.705 nan 8.190 nan 0.000 0.480 368 G N -0.619 108.206 108.800 0.042 0.000 2.408 368 G HA2 -0.061 3.904 3.960 0.009 0.000 0.213 368 G HA3 -0.061 3.904 3.960 0.009 0.000 0.213 368 G C 1.491 176.410 174.900 0.031 0.000 1.177 368 G CA 0.310 45.425 45.100 0.026 0.000 0.802 368 G HN 0.419 nan 8.290 nan 0.000 0.533 369 L N 1.085 122.298 121.223 -0.017 0.000 2.056 369 L HA 0.025 4.370 4.340 0.009 0.000 0.207 369 L C 1.514 178.612 176.870 0.379 0.000 1.078 369 L CA 0.321 55.129 54.840 -0.054 0.000 0.749 369 L CB -0.705 40.948 42.059 -0.676 0.000 0.901 369 L HN 0.083 nan 8.230 nan 0.000 0.433 370 S N -0.430 115.522 115.700 0.420 0.000 2.573 370 S HA 0.344 4.819 4.470 0.009 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 1.424 64.775 63.200 0.252 0.000 0.879 370 S HN 0.089 nan 8.310 nan 0.000 0.528 371 V N 0.078 120.058 119.914 0.109 0.000 3.216 371 V HA 0.762 4.887 4.120 0.009 0.000 0.302 371 V C -0.560 175.551 176.094 0.027 0.000 1.286 371 V CA -0.963 61.378 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 0.433 116.148 115.700 0.025 0.000 2.524 372 S HA 0.401 4.876 4.470 0.009 0.000 0.227 372 S C 0.788 175.396 174.600 0.013 0.000 1.304 372 S CA -0.690 57.517 58.200 0.011 0.000 1.185 372 S CB 0.738 63.944 63.200 0.009 0.000 1.104 372 S HN 0.739 nan 8.310 nan 0.000 0.475 373 R N 1.824 122.331 120.500 0.012 0.000 2.105 373 R HA -0.069 4.276 4.340 0.009 0.000 0.239 373 R C 1.641 177.948 176.300 0.011 0.000 1.135 373 R CA 1.958 58.066 56.100 0.014 0.000 0.967 373 R CB -0.412 29.897 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 0.308 4.433 4.120 0.009 0.000 0.275 374 V C 1.868 177.963 176.094 0.001 0.000 1.356 374 V CA 0.755 63.058 62.300 0.004 0.000 1.051 374 V CB 0.315 32.139 31.823 0.002 0.000 0.828 374 V HN 0.233 nan 8.190 nan 0.000 0.441 375 G N 1.177 109.977 108.800 -0.000 0.000 2.598 375 G HA2 -0.117 3.849 3.960 0.009 0.000 0.215 375 G HA3 -0.117 3.849 3.960 0.009 0.000 0.215 375 G C 1.466 176.366 174.900 -0.000 0.000 1.131 375 G CA 1.069 46.167 45.100 -0.004 0.000 0.785 375 G HN 0.553 nan 8.290 nan 0.000 0.539 376 S N 1.523 117.226 115.700 0.005 0.000 2.370 376 S HA -0.105 4.370 4.470 0.009 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 -0.448 62.758 63.200 0.010 0.000 0.852 376 S HN 0.557 nan 8.310 nan 0.000 0.457 377 A N 1.895 124.717 122.820 0.003 0.000 1.908 377 A HA 0.111 4.436 4.320 0.009 0.000 0.218 377 A C 2.388 179.970 177.584 -0.004 0.000 1.181 377 A CA 1.708 53.746 52.037 0.001 0.000 0.627 377 A CB -1.183 17.818 19.000 0.002 0.000 0.818 377 A HN 0.583 nan 8.150 nan 0.000 0.445 378 A N -1.155 121.659 122.820 -0.010 0.000 2.125 378 A HA -0.049 4.277 4.320 0.009 0.000 0.219 378 A C 1.402 178.976 177.584 -0.016 0.000 1.156 378 A CA 0.839 52.864 52.037 -0.021 0.000 0.671 378 A CB -0.373 18.609 19.000 -0.030 0.000 0.794 378 A HN 0.665 nan 8.150 nan 0.000 0.459 379 Q N 0.957 120.753 119.800 -0.006 0.000 2.352 379 Q HA 0.230 4.575 4.340 0.009 0.000 0.260 379 Q C -0.397 175.606 176.000 0.005 0.000 0.976 379 Q CA -0.145 55.659 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 0.482 nan 8.270 nan 0.000 0.419 380 T N 2.465 117.025 114.554 0.009 0.000 2.926 380 T HA 0.016 4.371 4.350 0.009 0.000 0.307 380 T C 0.897 175.609 174.700 0.019 0.000 1.059 380 T CA -0.463 61.645 62.100 0.015 0.000 1.122 380 T CB 0.853 69.734 68.868 0.021 0.000 0.972 380 T HN 0.658 nan 8.240 nan 0.000 0.545 381 R N 1.943 122.455 120.500 0.020 0.000 2.092 381 R HA 0.007 4.352 4.340 0.009 0.000 0.231 381 R C 2.405 178.723 176.300 0.031 0.000 1.119 381 R CA 1.755 57.869 56.100 0.023 0.000 0.970 381 R CB -1.116 29.197 30.300 0.022 0.000 0.864 381 R HN 0.758 nan 8.270 nan 0.000 0.440 382 A N 0.785 123.624 122.820 0.033 0.000 1.903 382 A HA -0.223 4.102 4.320 0.009 0.000 0.219 382 A C 2.200 179.815 177.584 0.051 0.000 1.191 382 A CA 1.960 54.023 52.037 0.043 0.000 0.638 382 A CB -0.549 18.473 19.000 0.037 0.000 0.823 382 A HN 0.375 nan 8.150 nan 0.000 0.451 383 M N -1.486 118.139 119.600 0.041 0.000 2.156 383 M HA -0.081 4.405 4.480 0.009 0.000 0.264 383 M C 2.060 178.381 176.300 0.035 0.000 1.067 383 M CA 1.667 56.992 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 0.299 nan 8.290 nan 0.000 0.416 384 K N 0.533 120.951 120.400 0.030 0.000 2.059 384 K HA -0.208 4.118 4.320 0.009 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 32.148 32.500 0.022 0.000 0.714 384 K HN 0.444 nan 8.250 nan 0.000 0.447 385 Q N -0.632 119.191 119.800 0.037 0.000 2.096 385 Q HA -0.149 4.196 4.340 0.009 0.000 0.204 385 Q C 2.044 178.070 176.000 0.044 0.000 0.982 385 Q CA 1.954 57.785 55.803 0.045 0.000 0.850 385 Q CB -0.037 28.740 28.738 0.065 0.000 0.901 385 Q HN 0.408 nan 8.270 nan 0.000 0.422 386 V N -4.148 115.797 119.914 0.052 0.000 2.788 386 V HA 0.270 4.395 4.120 0.009 0.000 0.241 386 V C 2.010 178.115 176.094 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 31.250 31.823 0.086 0.000 0.800 386 V HN 0.166 nan 8.190 nan 0.000 0.476 387 A N 1.487 124.322 122.820 0.026 0.000 2.015 387 A HA 0.123 4.448 4.320 0.009 0.000 0.219 387 A C 2.275 179.866 177.584 0.012 0.000 1.163 387 A CA 1.694 53.742 52.037 0.018 0.000 0.646 387 A CB -1.363 17.651 19.000 0.024 0.000 0.806 387 A HN 0.746 nan 8.150 nan 0.000 0.448 388 G N -0.111 108.696 108.800 0.012 0.000 2.440 388 G HA2 -0.210 3.756 3.960 0.009 0.000 0.218 388 G HA3 -0.210 3.756 3.960 0.009 0.000 0.218 388 G C 1.490 176.391 174.900 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 -2.474 112.076 114.554 -0.008 0.000 3.163 389 T HA 0.378 4.733 4.350 0.009 0.000 0.252 389 T C 1.844 176.530 174.700 -0.023 0.000 1.056 389 T CA 0.264 62.352 62.100 -0.018 0.000 0.947 389 T CB 0.370 69.218 68.868 -0.033 0.000 1.016 389 T HN 0.224 nan 8.240 nan 0.000 0.554 390 M N 0.388 119.979 119.600 -0.014 0.000 2.325 390 M HA 0.310 4.795 4.480 0.009 0.000 0.265 390 M C 2.258 178.557 176.300 -0.002 0.000 1.094 390 M CA 1.075 56.366 55.300 -0.016 0.000 1.161 390 M CB 0.080 32.674 32.600 -0.010 0.000 1.358 390 M HN 0.094 nan 8.290 nan 0.000 0.446 391 K N 0.439 120.844 120.400 0.009 0.000 2.155 391 K HA -0.045 4.281 4.320 0.009 0.000 0.203 391 K C 1.749 178.361 176.600 0.021 0.000 1.052 391 K CA 1.012 57.312 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 0.344 121.573 121.223 0.011 0.000 2.013 392 L HA -0.232 4.113 4.340 0.009 0.000 0.212 392 L C 2.200 179.077 176.870 0.012 0.000 1.073 392 L CA 1.663 56.508 54.840 0.009 0.000 0.753 392 L CB -0.677 41.381 42.059 -0.000 0.000 0.890 392 L HN 0.224 nan 8.230 nan 0.000 0.432 393 E N 0.442 120.643 120.200 0.002 0.000 2.077 393 E HA -0.163 4.192 4.350 0.009 0.000 0.193 393 E C 2.352 178.977 176.600 0.042 0.000 0.989 393 E CA 0.962 57.364 56.400 0.002 0.000 0.800 393 E CB -0.122 29.558 29.700 -0.033 0.000 0.746 393 E HN 0.433 nan 8.360 nan 0.000 0.452 394 L N 0.260 121.508 121.223 0.042 0.000 2.465 394 L HA -0.081 4.264 4.340 0.009 0.000 0.224 394 L C 2.248 179.189 176.870 0.119 0.000 1.145 394 L CA 0.276 55.176 54.840 0.099 0.000 0.834 394 L CB -0.227 41.870 42.059 0.064 0.000 0.944 394 L HN 0.167 nan 8.230 nan 0.000 0.451 395 A N -0.336 122.526 122.820 0.070 0.000 1.874 395 A HA -0.162 4.163 4.320 0.009 0.000 0.214 395 A C 2.084 179.696 177.584 0.046 0.000 1.189 395 A CA 0.777 52.843 52.037 0.048 0.000 0.615 395 A CB -0.238 18.779 19.000 0.029 0.000 0.830 395 A HN 0.420 nan 8.150 nan 0.000 0.443 396 Q N -2.214 117.619 119.800 0.055 0.000 2.488 396 Q HA -0.101 4.244 4.340 0.009 0.000 0.211 396 Q C 1.442 177.493 176.000 0.084 0.000 0.967 396 Q CA 1.249 57.081 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 -0.199 120.091 120.300 -0.017 0.000 2.558 397 Y HA 0.173 4.729 4.550 0.009 0.000 0.273 397 Y C 1.988 177.880 175.900 -0.013 0.000 1.100 397 Y CA 0.070 58.160 58.100 -0.017 0.000 1.276 397 Y CB 0.283 38.732 38.460 -0.019 0.000 1.196 397 Y HN -0.207 nan 8.280 nan 0.000 0.527 398 R N 0.756 121.226 120.500 -0.050 0.000 2.103 398 R HA -0.228 4.118 4.340 0.009 0.000 0.242 398 R C 1.991 178.170 176.300 -0.201 0.000 1.142 398 R CA 2.193 58.212 56.100 -0.135 0.000 0.960 398 R CB -0.147 30.140 30.300 -0.022 0.000 0.858 398 R HN 0.475 nan 8.270 nan 0.000 0.439 399 E N -0.518 119.601 120.200 -0.136 0.000 2.000 399 E HA -0.174 4.181 4.350 0.009 0.000 0.199 399 E C 1.661 178.172 176.600 -0.148 0.000 1.011 399 E CA 1.794 58.125 56.400 -0.114 0.000 0.836 399 E CB 0.064 29.725 29.700 -0.065 0.000 0.778 399 E HN 0.086 nan 8.360 nan 0.000 0.462 400 V N 0.906 120.728 119.914 -0.152 0.000 3.330 400 V HA -0.076 4.049 4.120 0.009 0.000 0.273 400 V C 0.886 176.855 176.094 -0.209 0.000 1.179 400 V CA 0.787 63.004 62.300 -0.139 0.000 1.174 400 V CB -1.367 30.406 31.823 -0.083 0.000 0.794 400 V HN 0.269 nan 8.190 nan 0.000 0.527 411 D N 0.304 120.702 120.400 -0.005 0.000 7.547 411 D HA -0.091 4.554 4.640 0.009 0.000 0.255 411 D C 0.522 176.819 176.300 -0.005 0.000 2.090 411 D CA 0.914 54.911 54.000 -0.005 0.000 1.914 411 D CB 0.289 41.086 40.800 -0.006 0.000 0.809 411 D HN 0.844 nan 8.370 nan 0.000 0.513 412 A N 3.972 126.789 122.820 -0.006 0.000 1.883 412 A HA 0.162 4.488 4.320 0.009 0.000 0.217 412 A C 2.382 179.962 177.584 -0.008 0.000 1.186 412 A CA 3.164 55.197 52.037 -0.008 0.000 0.624 412 A CB -0.844 18.149 19.000 -0.010 0.000 0.822 412 A HN 1.162 nan 8.150 nan 0.000 0.444 413 A N -0.062 122.753 122.820 -0.008 0.000 1.829 413 A HA -0.169 4.156 4.320 0.009 0.000 0.216 413 A C 2.466 180.049 177.584 -0.002 0.000 1.207 413 A CA 3.266 55.298 52.037 -0.008 0.000 0.622 413 A CB -1.802 17.194 19.000 -0.008 0.000 0.846 413 A HN 0.870 nan 8.150 nan 0.000 0.447 414 T N -1.700 112.854 114.554 -0.000 0.000 2.714 414 T HA -0.324 4.031 4.350 0.009 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 -0.552 68.315 68.868 -0.001 0.000 0.856 414 T HN 0.588 nan 8.240 nan 0.000 0.462 415 Q N 0.599 120.404 119.800 0.008 0.000 2.020 415 Q HA -0.189 4.157 4.340 0.009 0.000 0.202 415 Q C 2.732 178.741 176.000 0.014 0.000 0.982 415 Q CA 1.794 57.604 55.803 0.011 0.000 0.838 415 Q CB -0.255 28.484 28.738 0.002 0.000 0.899 415 Q HN 0.732 nan 8.270 nan 0.000 0.423 416 Q N 0.767 120.568 119.800 0.001 0.000 2.061 416 Q HA -0.222 4.123 4.340 0.009 0.000 0.204 416 Q C 2.061 178.062 176.000 0.002 0.000 0.984 416 Q CA 1.477 57.274 55.803 -0.010 0.000 0.846 416 Q CB -0.298 28.427 28.738 -0.021 0.000 0.902 416 Q HN 0.446 nan 8.270 nan 0.000 0.421 417 L N 0.507 121.742 121.223 0.020 0.000 2.013 417 L HA -0.233 4.112 4.340 0.009 0.000 0.212 417 L C 2.726 179.669 176.870 0.123 0.000 1.073 417 L CA 1.136 56.007 54.840 0.051 0.000 0.753 417 L CB -0.636 41.456 42.059 0.055 0.000 0.890 417 L HN 0.266 nan 8.230 nan 0.000 0.432 418 L N -0.731 120.576 121.223 0.140 0.000 2.191 418 L HA -0.170 4.175 4.340 0.009 0.000 0.212 418 L C 2.616 179.571 176.870 0.142 0.000 1.103 418 L CA 0.856 55.847 54.840 0.253 0.000 0.769 418 L CB -0.300 41.846 42.059 0.145 0.000 0.908 418 L HN 0.241 nan 8.230 nan 0.000 0.438 419 S N -1.026 114.694 115.700 0.034 0.000 2.395 419 S HA -0.033 4.443 4.470 0.009 0.000 0.225 419 S C 2.016 176.552 174.600 -0.106 0.000 1.027 419 S CA 0.469 58.649 58.200 -0.033 0.000 0.965 419 S CB -0.041 63.138 63.200 -0.035 0.000 0.812 419 S HN 0.325 nan 8.310 nan 0.000 0.482 420 R N 1.224 121.656 120.500 -0.113 0.000 2.061 420 R HA -0.017 4.329 4.340 0.009 0.000 0.230 420 R C 2.693 178.813 176.300 -0.301 0.000 1.140 420 R CA 1.397 57.397 56.100 -0.167 0.000 0.940 420 R CB -1.477 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 1.426 109.951 108.800 -0.459 0.000 2.728 421 G HA2 -0.340 3.625 3.960 0.009 0.000 0.224 421 G HA3 -0.340 3.625 3.960 0.009 0.000 0.224 421 G C 1.500 175.740 174.900 -1.100 0.000 1.139 421 G CA 2.233 46.610 45.100 -1.205 0.000 0.761 421 G HN 0.371 nan 8.290 nan 0.000 0.621 422 V N -1.705 117.796 119.914 -0.688 0.000 2.667 422 V HA 0.028 4.154 4.120 0.009 0.000 0.252 422 V C 2.678 178.639 176.094 -0.222 0.000 1.065 422 V CA 1.849 63.953 62.300 -0.327 0.000 1.083 422 V CB -0.417 31.334 31.823 -0.120 0.000 0.692 422 V HN 0.241 nan 8.190 nan 0.000 0.468 423 R N 0.735 121.100 120.500 -0.226 0.000 2.052 423 R HA 0.208 4.553 4.340 0.009 0.000 0.226 423 R C 2.446 178.644 176.300 -0.171 0.000 1.145 423 R CA 1.487 57.481 56.100 -0.177 0.000 0.952 423 R CB -1.196 28.994 30.300 -0.182 0.000 0.847 423 R HN 0.471 nan 8.270 nan 0.000 0.431 424 L N 0.998 122.101 121.223 -0.199 0.000 2.051 424 L HA -0.228 4.118 4.340 0.009 0.000 0.214 424 L C 2.298 179.093 176.870 -0.124 0.000 1.076 424 L CA 1.932 56.679 54.840 -0.155 0.000 0.758 424 L CB -1.017 40.945 42.059 -0.162 0.000 0.890 424 L HN 0.248 nan 8.230 nan 0.000 0.433 425 T N -1.261 113.198 114.554 -0.159 0.000 2.881 425 T HA -0.125 4.231 4.350 0.009 0.000 0.270 425 T C 1.712 176.379 174.700 -0.055 0.000 1.068 425 T CA 0.944 62.990 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 1.151 121.308 120.200 -0.071 0.000 2.158 426 E HA 0.095 4.450 4.350 0.009 0.000 0.191 426 E C 2.225 178.808 176.600 -0.028 0.000 0.982 426 E CA 0.430 56.805 56.400 -0.042 0.000 0.823 426 E CB -0.277 29.395 29.700 -0.048 0.000 0.766 426 E HN 0.479 nan 8.360 nan 0.000 0.468 427 L N 0.421 121.619 121.223 -0.042 0.000 2.275 427 L HA -0.088 4.258 4.340 0.009 0.000 0.215 427 L C 2.172 179.040 176.870 -0.003 0.000 1.119 427 L CA 0.683 55.510 54.840 -0.022 0.000 0.790 427 L CB -0.285 41.752 42.059 -0.037 0.000 0.919 427 L HN 0.089 nan 8.230 nan 0.000 0.443 428 L N -0.890 120.328 121.223 -0.007 0.000 2.567 428 L HA 0.055 4.400 4.340 0.009 0.000 0.225 428 L C 0.770 177.646 176.870 0.011 0.000 1.119 428 L CA 0.037 54.881 54.840 0.007 0.000 0.871 428 L CB -0.229 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 1.884 122.286 120.400 0.004 0.000 2.326 429 K HA 0.272 4.597 4.320 0.009 0.000 0.275 429 K C -0.266 176.336 176.600 0.003 0.000 1.018 429 K CA 0.163 56.450 56.287 0.001 0.000 0.962 429 K CB 0.933 33.428 32.500 -0.007 0.000 0.953 429 K HN 0.091 nan 8.250 nan 0.000 0.475 430 Q N 0.346 120.144 119.800 -0.003 0.000 2.353 430 Q HA 0.283 4.629 4.340 0.009 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 31.178 28.738 0.001 0.000 1.390 430 Q HN 0.867 nan 8.270 nan 0.000 0.401 431 G N 1.013 109.801 108.800 -0.020 0.000 2.543 431 G HA2 0.339 4.304 3.960 0.009 0.000 0.290 431 G HA3 0.339 4.304 3.960 0.009 0.000 0.290 431 G C -0.494 174.358 174.900 -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 -0.152 0.000 2.221 432 Q HA 0.349 4.694 4.340 0.009 0.000 0.242 432 Q C -0.827 175.006 176.000 -0.279 0.000 0.940 432 Q CA -0.553 55.004 55.803 -0.409 0.000 0.896 432 Q CB 1.092 29.318 28.738 -0.854 0.000 1.226 432 Q HN 0.531 nan 8.270 nan 0.000 0.463 433 Y N -1.274 119.033 120.300 0.010 0.000 4.409 433 Y HA -0.242 4.313 4.550 0.008 0.000 0.228 433 Y C 0.001 175.905 175.900 0.006 0.000 1.108 433 Y CA 0.590 58.693 58.100 0.005 0.000 1.955 433 Y CB -2.243 36.216 38.460 -0.002 0.000 1.615 433 Y HN 0.409 nan 8.280 nan 0.000 0.665 434 S N -0.058 115.691 115.700 0.082 0.000 2.399 434 S HA 0.342 4.817 4.470 0.009 0.000 0.198 434 S C -2.392 172.229 174.600 0.036 0.000 1.294 434 S CA -0.925 57.313 58.200 0.062 0.000 1.237 434 S CB 0.834 64.065 63.200 0.052 0.000 1.286 434 S HN -0.000 nan 8.310 nan 0.000 0.404 435 P HA 0.152 nan 4.420 nan 0.000 0.265 435 P C -0.327 176.985 177.300 0.021 0.000 1.193 435 P CA 0.211 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 1.590 121.200 119.600 0.018 0.000 2.528 436 M HA 0.528 5.013 4.480 0.009 0.000 0.318 436 M C 0.401 176.701 176.300 -0.000 0.000 1.195 436 M CA -0.955 54.348 55.300 0.006 0.000 1.000 436 M CB 1.594 34.202 32.600 0.013 0.000 1.615 436 M HN 0.271 nan 8.290 nan 0.000 0.469 437 A N 1.552 124.358 122.820 -0.024 0.000 2.409 437 A HA 0.232 4.557 4.320 0.009 0.000 0.267 437 A C 0.966 178.544 177.584 -0.008 0.000 1.127 437 A CA -0.456 51.556 52.037 -0.041 0.000 0.795 437 A CB -0.044 18.911 19.000 -0.074 0.000 1.061 437 A HN 0.911 nan 8.150 nan 0.000 0.502 438 I N 1.790 122.370 120.570 0.017 0.000 2.182 438 I HA -0.321 3.855 4.170 0.009 0.000 0.248 438 I C 2.588 178.715 176.117 0.018 0.000 1.073 438 I CA 2.570 63.889 61.300 0.031 0.000 1.335 438 I CB -0.162 37.868 38.000 0.050 0.000 1.031 438 I HN 0.870 nan 8.210 nan 0.000 0.420 439 E N 0.239 120.439 120.200 -0.001 0.000 2.204 439 E HA -0.243 4.112 4.350 0.009 0.000 0.194 439 E C 1.800 178.391 176.600 -0.014 0.000 0.989 439 E CA 1.509 57.903 56.400 -0.010 0.000 0.824 439 E CB -0.661 29.024 29.700 -0.026 0.000 0.756 439 E HN 0.665 nan 8.360 nan 0.000 0.477 440 E N 0.905 121.095 120.200 -0.018 0.000 2.072 440 E HA -0.142 4.214 4.350 0.009 0.000 0.190 440 E C 2.332 178.946 176.600 0.022 0.000 0.982 440 E CA 1.174 57.564 56.400 -0.017 0.000 0.803 440 E CB -0.056 29.628 29.700 -0.026 0.000 0.755 440 E HN 0.398 nan 8.360 nan 0.000 0.453 441 Q N 0.397 120.215 119.800 0.031 0.000 2.050 441 Q HA -0.150 4.196 4.340 0.009 0.000 0.202 441 Q C 2.527 178.568 176.000 0.069 0.000 0.980 441 Q CA 1.937 57.769 55.803 0.049 0.000 0.840 441 Q CB -0.240 28.523 28.738 0.041 0.000 0.898 441 Q HN 0.269 nan 8.270 nan 0.000 0.424 442 V N -0.124 119.828 119.914 0.063 0.000 2.490 442 V HA -0.234 3.891 4.120 0.009 0.000 0.250 442 V C 2.272 178.445 176.094 0.132 0.000 1.061 442 V CA 1.517 63.871 62.300 0.090 0.000 1.064 442 V CB -1.529 30.339 31.823 0.074 0.000 0.670 442 V HN 0.312 nan 8.190 nan 0.000 0.461 443 A N 1.808 124.685 122.820 0.095 0.000 1.834 443 A HA -0.170 4.155 4.320 0.009 0.000 0.216 443 A C 2.528 180.277 177.584 0.274 0.000 1.203 443 A CA 3.154 55.265 52.037 0.124 0.000 0.621 443 A CB -1.197 17.824 19.000 0.036 0.000 0.841 443 A HN 0.996 nan 8.150 nan 0.000 0.446 444 V N -0.681 119.394 119.914 0.268 0.000 2.287 444 V HA -0.234 3.891 4.120 0.009 0.000 0.248 444 V C 2.161 178.343 176.094 0.148 0.000 1.053 444 V CA 2.208 64.662 62.300 0.257 0.000 1.027 444 V CB -0.929 31.017 31.823 0.204 0.000 0.646 444 V HN 0.467 nan 8.190 nan 0.000 0.447 445 I N -0.259 120.386 120.570 0.124 0.000 2.264 445 I HA -0.228 3.947 4.170 0.009 0.000 0.248 445 I C 2.563 178.743 176.117 0.104 0.000 1.111 445 I CA 2.510 63.858 61.300 0.080 0.000 1.382 445 I CB -1.600 36.440 38.000 0.066 0.000 1.060 445 I HN 0.553 nan 8.210 nan 0.000 0.418 446 Y N 2.278 122.604 120.300 0.043 0.000 2.114 446 Y HA -0.300 4.255 4.550 0.009 0.000 0.282 446 Y C 2.675 178.622 175.900 0.077 0.000 1.165 446 Y CA 2.039 60.175 58.100 0.061 0.000 1.148 446 Y CB -0.419 38.083 38.460 0.070 0.000 0.972 446 Y HN 0.134 nan 8.280 nan 0.000 0.504 447 A N 0.046 123.026 122.820 0.266 0.000 1.892 447 A HA -0.214 4.111 4.320 0.009 0.000 0.218 447 A C 2.479 180.053 177.584 -0.016 0.000 1.188 447 A CA 2.231 54.324 52.037 0.094 0.000 0.631 447 A CB -1.729 17.145 19.000 -0.210 0.000 0.822 447 A HN 0.628 nan 8.150 nan 0.000 0.447 448 G N -1.213 107.533 108.800 -0.090 0.000 2.396 448 G HA2 0.037 4.003 3.960 0.009 0.000 0.214 448 G HA3 0.037 4.003 3.960 0.009 0.000 0.214 448 G C 1.398 176.215 174.900 -0.139 0.000 1.166 448 G CA 1.010 46.025 45.100 -0.142 0.000 0.793 448 G HN 0.357 nan 8.290 nan 0.000 0.533 449 V N 0.810 120.653 119.914 -0.119 0.000 2.759 449 V HA -0.003 4.123 4.120 0.009 0.000 0.256 449 V C 2.637 178.611 176.094 -0.199 0.000 1.080 449 V CA 1.082 63.299 62.300 -0.138 0.000 1.101 449 V CB -0.358 31.402 31.823 -0.105 0.000 0.698 449 V HN 0.146 nan 8.190 nan 0.000 0.477 450 R N -0.158 120.191 120.500 -0.251 0.000 2.280 450 R HA 0.259 4.604 4.340 0.009 0.000 0.195 450 R C 1.790 177.797 176.300 -0.487 0.000 0.935 450 R CA 0.761 56.648 56.100 -0.355 0.000 1.033 450 R CB 0.167 30.236 30.300 -0.383 0.000 0.964 450 R HN 0.560 nan 8.270 nan 0.000 0.489 451 G N -0.164 108.405 108.800 -0.385 0.000 2.218 451 G HA2 -0.289 3.676 3.960 0.009 0.000 0.216 451 G HA3 -0.289 3.676 3.960 0.009 0.000 0.216 451 G C 0.445 175.110 174.900 -0.391 0.000 0.994 451 G CA -0.042 44.824 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 2.736 452 Y HA 0.274 4.829 4.550 0.009 0.000 0.298 452 Y C 2.262 177.990 175.900 -0.288 0.000 1.156 452 Y CA 1.316 59.314 58.100 -0.170 0.000 1.384 452 Y CB -0.148 38.240 38.460 -0.119 0.000 0.976 452 Y HN 0.394 nan 8.280 nan 0.000 0.556 453 L N -1.998 119.090 121.223 -0.224 0.000 3.086 453 L HA 0.196 4.541 4.340 0.009 0.000 0.274 453 L C 0.826 177.571 176.870 -0.208 0.000 1.184 453 L CA -0.061 54.591 54.840 -0.314 0.000 1.002 453 L CB 0.282 42.077 42.059 -0.441 0.000 1.383 453 L HN -0.072 nan 8.230 nan 0.000 0.582 454 D N 1.411 121.707 120.400 -0.174 0.000 2.123 454 D HA -0.189 4.457 4.640 0.009 0.000 0.196 454 D C 1.890 178.131 176.300 -0.098 0.000 0.992 454 D CA 1.368 55.287 54.000 -0.136 0.000 0.833 454 D CB 0.155 40.873 40.800 -0.137 0.000 0.954 454 D HN 0.060 nan 8.370 nan 0.000 0.455 455 K N -0.646 119.703 120.400 -0.086 0.000 2.555 455 K HA 0.033 4.358 4.320 0.009 0.000 0.193 455 K C -0.160 176.420 176.600 -0.033 0.000 1.032 455 K CA -0.118 56.140 56.287 -0.048 0.000 1.004 455 K CB 0.147 32.630 32.500 -0.028 0.000 0.804 455 K HN 0.015 nan 8.250 nan 0.000 0.496 456 L N 0.357 121.543 121.223 -0.061 0.000 2.313 456 L HA 0.319 4.665 4.340 0.009 0.000 0.268 456 L C -0.922 175.924 176.870 -0.039 0.000 1.010 456 L CA -0.534 54.281 54.840 -0.041 0.000 0.814 456 L CB 1.854 43.860 42.059 -0.088 0.000 1.304 456 L HN -0.094 nan 8.230 nan 0.000 0.441 457 E N 3.603 123.801 120.200 -0.004 0.000 2.167 457 E HA 0.206 4.562 4.350 0.009 0.000 0.284 457 E C -1.751 174.846 176.600 -0.004 0.000 1.016 457 E CA -1.571 54.830 56.400 0.000 0.000 0.817 457 E CB 1.205 30.920 29.700 0.024 0.000 1.080 457 E HN 0.452 nan 8.360 nan 0.000 0.397 458 P HA -0.287 nan 4.420 nan 0.000 0.221 458 P C 1.293 178.592 177.300 -0.001 0.000 1.153 458 P CA 1.333 64.418 63.100 -0.026 0.000 0.858 458 P CB 0.224 31.910 31.700 -0.024 0.000 0.783 459 S N -1.952 113.759 115.700 0.019 0.000 2.481 459 S HA -0.058 4.417 4.470 0.009 0.000 0.231 459 S C 1.562 176.201 174.600 0.065 0.000 0.996 459 S CA 0.877 59.098 58.200 0.036 0.000 0.942 459 S CB -0.493 62.728 63.200 0.036 0.000 0.768 459 S HN -0.004 nan 8.310 nan 0.000 0.520 460 K N 1.248 121.696 120.400 0.081 0.000 2.379 460 K HA 0.227 4.552 4.320 0.009 0.000 0.194 460 K C 1.726 178.406 176.600 0.134 0.000 1.031 460 K CA 0.043 56.423 56.287 0.156 0.000 1.037 460 K CB -0.310 32.330 32.500 0.233 0.000 0.824 460 K HN 0.388 nan 8.250 nan 0.000 0.516 461 I N 1.357 121.950 120.570 0.039 0.000 2.151 461 I HA -0.292 3.883 4.170 0.009 0.000 0.243 461 I C 1.855 178.015 176.117 0.071 0.000 1.080 461 I CA 1.577 62.874 61.300 -0.006 0.000 1.339 461 I CB -1.756 36.205 38.000 -0.065 0.000 1.039 461 I HN 0.104 nan 8.210 nan 0.000 0.409 462 T N 1.042 115.639 114.554 0.071 0.000 2.607 462 T HA -0.267 4.088 4.350 0.009 0.000 0.267 462 T C 1.986 176.763 174.700 0.129 0.000 1.049 462 T CA 1.955 64.105 62.100 0.082 0.000 1.162 462 T CB -0.324 68.582 68.868 0.063 0.000 0.863 462 T HN 0.320 nan 8.240 nan 0.000 0.424 463 K N -0.066 120.435 120.400 0.169 0.000 2.152 463 K HA -0.123 4.202 4.320 0.009 0.000 0.206 463 K C 2.121 178.896 176.600 0.292 0.000 1.048 463 K CA 1.203 57.636 56.287 0.242 0.000 0.933 463 K CB -0.298 32.382 32.500 0.300 0.000 0.721 463 K HN 0.358 nan 8.250 nan 0.000 0.447 464 F N 2.014 121.967 119.950 0.004 0.000 2.146 464 F HA -0.131 4.401 4.527 0.009 0.000 0.298 464 F C 2.213 177.936 175.800 -0.128 0.000 1.096 464 F CA 1.686 59.496 58.000 -0.317 0.000 1.275 464 F CB -0.263 38.453 39.000 -0.474 0.000 1.008 464 F HN 0.127 nan 8.300 nan 0.000 0.480 465 E N 0.379 120.722 120.200 0.238 0.000 2.033 465 E HA -0.309 4.046 4.350 0.009 0.000 0.199 465 E C 1.826 178.470 176.600 0.074 0.000 1.011 465 E CA 2.120 58.629 56.400 0.181 0.000 0.815 465 E CB -0.323 29.465 29.700 0.148 0.000 0.755 465 E HN 0.615 nan 8.360 nan 0.000 0.451 466 N N 0.481 119.224 118.700 0.072 0.000 2.084 466 N HA -0.176 4.569 4.740 0.009 0.000 0.190 466 N C 1.843 177.371 175.510 0.029 0.000 1.030 466 N CA 1.492 54.573 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 0.602 123.467 122.820 0.075 0.000 1.902 467 A HA -0.142 4.183 4.320 0.009 0.000 0.217 467 A C 2.008 179.549 177.584 -0.073 0.000 1.181 467 A CA 1.220 53.354 52.037 0.162 0.000 0.623 467 A CB -0.935 18.340 19.000 0.459 0.000 0.818 467 A HN 0.458 nan 8.150 nan 0.000 0.443 468 F N -0.607 118.862 119.950 -0.801 0.000 2.367 468 F HA 0.059 4.592 4.527 0.009 0.000 0.298 468 F C 1.611 177.018 175.800 -0.655 0.000 1.094 468 F CA 0.971 58.022 58.000 -1.581 0.000 1.409 468 F CB -0.017 37.750 39.000 -2.055 0.000 1.064 468 F HN 0.165 nan 8.300 nan 0.000 0.528 469 L N 0.512 121.504 121.223 -0.386 0.000 2.068 469 L HA -0.053 4.293 4.340 0.009 0.000 0.204 469 L C 2.852 179.584 176.870 -0.230 0.000 1.076 469 L CA 2.104 56.761 54.840 -0.305 0.000 0.753 469 L CB -1.287 40.716 42.059 -0.093 0.000 0.910 469 L HN 0.346 nan 8.230 nan 0.000 0.439 470 S N -1.570 114.060 115.700 -0.116 0.000 2.383 470 S HA -0.313 4.162 4.470 0.009 0.000 0.229 470 S C 2.206 176.779 174.600 -0.045 0.000 1.030 470 S CA 1.422 59.591 58.200 -0.052 0.000 1.002 470 S CB -1.028 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 1.659 120.638 119.070 -0.153 0.000 2.265 471 H HA -0.111 4.450 4.556 0.009 0.000 0.295 471 H C 2.353 177.608 175.328 -0.121 0.000 1.084 471 H CA 2.643 58.636 56.048 -0.093 0.000 1.261 471 H CB -0.462 29.258 29.762 -0.071 0.000 1.360 471 H HN 0.491 nan 8.280 nan 0.000 0.487 472 V N -0.720 119.013 119.914 -0.301 0.000 2.970 472 V HA -0.054 4.071 4.120 0.009 0.000 0.260 472 V C 2.383 178.380 176.094 -0.161 0.000 1.100 472 V CA 1.230 63.371 62.300 -0.264 0.000 1.122 472 V CB -0.690 30.845 31.823 -0.479 0.000 0.721 472 V HN 0.302 nan 8.190 nan 0.000 0.483 473 I N 1.118 121.587 120.570 -0.168 0.000 2.400 473 I HA -0.094 4.081 4.170 0.009 0.000 0.248 473 I C 2.829 178.884 176.117 -0.103 0.000 1.109 473 I CA 1.531 62.759 61.300 -0.119 0.000 1.425 473 I CB -0.296 37.642 38.000 -0.103 0.000 1.094 473 I HN 0.461 nan 8.210 nan 0.000 0.425 474 S N 0.438 116.074 115.700 -0.107 0.000 2.336 474 S HA -0.191 4.284 4.470 0.009 0.000 0.214 474 S C 2.098 176.611 174.600 -0.146 0.000 1.032 474 S CA 1.131 59.269 58.200 -0.104 0.000 1.001 474 S CB -0.195 62.956 63.200 -0.082 0.000 0.953 474 S HN 0.292 nan 8.310 nan 0.000 0.430 475 Q N 0.425 120.102 119.800 -0.204 0.000 2.083 475 Q HA 0.016 4.361 4.340 0.009 0.000 0.198 475 Q C 0.516 176.229 176.000 -0.479 0.000 0.969 475 Q CA 1.341 56.943 55.803 -0.334 0.000 0.838 475 Q CB -0.494 27.991 28.738 -0.423 0.000 0.900 475 Q HN 0.792 nan 8.270 nan 0.000 0.436 476 H N 0.300 119.240 119.070 -0.217 0.000 2.476 476 H HA 0.215 4.777 4.556 0.009 0.000 0.256 476 H C 0.848 176.091 175.328 -0.141 0.000 1.321 476 H CA -0.158 55.789 56.048 -0.168 0.000 1.056 476 H CB 0.375 30.027 29.762 -0.182 0.000 1.643 476 H HN 0.084 nan 8.280 nan 0.000 0.541 477 Q N 0.431 120.189 119.800 -0.071 0.000 2.364 477 Q HA -0.074 4.272 4.340 0.009 0.000 0.209 477 Q C 2.075 178.045 176.000 -0.049 0.000 0.977 477 Q CA 0.904 56.670 55.803 -0.063 0.000 0.885 477 Q CB 0.154 28.848 28.738 -0.074 0.000 0.941 477 Q HN 0.647 nan 8.270 nan 0.000 0.464 478 A N 1.019 123.811 122.820 -0.047 0.000 1.930 478 A HA -0.125 4.200 4.320 0.009 0.000 0.217 478 A C 1.962 179.535 177.584 -0.019 0.000 1.175 478 A CA 0.892 52.907 52.037 -0.036 0.000 0.627 478 A CB -0.376 18.597 19.000 -0.045 0.000 0.815 478 A HN 0.355 nan 8.150 nan 0.000 0.443 479 L N -0.582 120.639 121.223 -0.002 0.000 2.168 479 L HA 0.070 4.416 4.340 0.009 0.000 0.203 479 L C 2.231 179.078 176.870 -0.039 0.000 1.078 479 L CA 1.202 56.031 54.840 -0.018 0.000 0.780 479 L CB -0.769 41.278 42.059 -0.020 0.000 0.939 479 L HN 0.403 nan 8.230 nan 0.000 0.451 480 L N 0.863 122.060 121.223 -0.044 0.000 1.971 480 L HA -0.242 4.103 4.340 0.009 0.000 0.215 480 L C 3.074 179.918 176.870 -0.044 0.000 1.072 480 L CA 1.945 56.753 54.840 -0.055 0.000 0.758 480 L CB -1.296 40.724 42.059 -0.065 0.000 0.889 480 L HN 0.426 nan 8.230 nan 0.000 0.433 481 S N 0.642 116.316 115.700 -0.042 0.000 2.392 481 S HA -0.277 4.199 4.470 0.009 0.000 0.232 481 S C 1.972 176.556 174.600 -0.028 0.000 1.041 481 S CA 2.270 60.448 58.200 -0.037 0.000 1.026 481 S CB -0.478 nan 63.200 nan 0.000 0.845 481 S HN 0.459 nan 8.310 nan 0.000 0.465 482 K N 0.673 121.058 120.400 -0.025 0.000 1.985 482 K HA 0.073 4.399 4.320 0.009 0.000 0.210 482 K C 1.887 178.477 176.600 -0.016 0.000 1.047 482 K CA 1.365 57.641 56.287 -0.018 0.000 0.932 482 K CB -0.555 31.935 32.500 -0.017 0.000 0.716 482 K HN 0.430 nan 8.250 nan 0.000 0.439 483 I N 1.584 122.141 120.570 -0.021 0.000 2.091 483 I HA -0.389 3.786 4.170 0.009 0.000 0.240 483 I C 2.963 179.075 176.117 -0.008 0.000 1.046 483 I CA 1.591 62.881 61.300 -0.016 0.000 1.306 483 I CB -0.363 37.621 38.000 -0.026 0.000 1.018 483 I HN 0.281 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 4.169 4.340 0.009 0.000 0.237 484 R C 2.142 178.440 176.300 -0.005 0.000 1.137 484 R CA 2.551 58.645 56.100 -0.011 0.000 0.951 484 R CB -0.871 29.413 30.300 -0.026 0.000 0.851 484 R HN 0.299 nan 8.270 nan 0.000 0.434 485 T N 1.272 115.820 114.554 -0.009 0.000 2.698 485 T HA -0.083 4.272 4.350 0.009 0.000 0.260 485 T C 1.195 175.896 174.700 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 68.459 68.868 -0.009 0.000 0.864 485 T HN 0.309 nan 8.240 nan 0.000 0.419 486 D N 0.403 120.802 120.400 -0.000 0.000 2.126 486 D HA -0.042 4.603 4.640 0.009 0.000 0.190 486 D C 1.714 178.019 176.300 0.008 0.000 1.001 486 D CA 1.877 55.879 54.000 0.004 0.000 0.841 486 D CB -0.556 40.246 40.800 0.004 0.000 0.949 486 D HN 0.572 nan 8.370 nan 0.000 0.446 487 G N -0.330 108.475 108.800 0.009 0.000 2.175 487 G HA2 -0.290 3.675 3.960 0.009 0.000 0.244 487 G HA3 -0.290 3.675 3.960 0.009 0.000 0.244 487 G C 0.396 175.306 174.900 0.017 0.000 0.982 487 G CA 0.547 45.655 45.100 0.014 0.000 0.641 487 G HN 0.571 nan 8.290 nan 0.000 0.527 488 K N -0.673 119.736 120.400 0.017 0.000 2.430 488 K HA 0.783 5.108 4.320 0.009 0.000 0.268 488 K C -1.028 175.586 176.600 0.023 0.000 1.043 488 K CA -1.246 55.055 56.287 0.022 0.000 0.899 488 K CB 1.236 33.749 32.500 0.021 0.000 1.472 488 K HN 0.065 nan 8.250 nan 0.000 0.451 489 I N 3.017 123.607 120.570 0.034 0.000 2.412 489 I HA 0.140 4.315 4.170 0.009 0.000 0.279 489 I C -0.191 175.948 176.117 0.037 0.000 1.063 489 I CA -0.552 60.770 61.300 0.037 0.000 1.193 489 I CB 1.400 39.441 38.000 0.068 0.000 1.370 489 I HN 0.546 nan 8.210 nan 0.000 0.479 490 S N 3.604 119.318 115.700 0.023 0.000 2.589 490 S HA 0.157 4.632 4.470 0.009 0.000 0.265 490 S C 1.128 175.745 174.600 0.028 0.000 1.342 490 S CA -0.697 57.517 58.200 0.023 0.000 1.005 490 S CB 1.153 64.362 63.200 0.014 0.000 0.909 490 S HN 0.567 nan 8.310 nan 0.000 0.555 491 E N 0.567 120.785 120.200 0.030 0.000 2.130 491 E HA -0.222 4.133 4.350 0.009 0.000 0.196 491 E C 1.799 178.417 176.600 0.031 0.000 0.998 491 E CA 1.170 57.591 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 0.676 nan 8.360 nan 0.000 0.459 492 E N 0.544 120.756 120.200 0.019 0.000 2.046 492 E HA -0.079 4.277 4.350 0.009 0.000 0.190 492 E C 2.199 178.800 176.600 0.001 0.000 0.982 492 E CA 0.587 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 1.006 116.703 115.700 -0.006 0.000 2.359 493 S HA -0.208 4.267 4.470 0.009 0.000 0.224 493 S C 1.670 176.237 174.600 -0.056 0.000 1.035 493 S CA 1.675 59.857 58.200 -0.031 0.000 1.018 493 S CB -0.367 62.817 63.200 -0.026 0.000 0.876 493 S HN 0.402 nan 8.310 nan 0.000 0.448 494 D N 1.171 121.564 120.400 -0.011 0.000 2.117 494 D HA -0.029 4.616 4.640 0.009 0.000 0.198 494 D C 1.940 178.256 176.300 0.026 0.000 0.982 494 D CA 1.250 55.261 54.000 0.019 0.000 0.828 494 D CB -0.305 40.570 40.800 0.124 0.000 0.967 494 D HN 0.307 nan 8.370 nan 0.000 0.464 495 A N 0.461 123.303 122.820 0.036 0.000 1.902 495 A HA -0.198 4.127 4.320 0.009 0.000 0.217 495 A C 2.178 179.767 177.584 0.009 0.000 1.181 495 A CA 1.889 53.951 52.037 0.043 0.000 0.623 495 A CB -0.757 18.266 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 4.203 4.320 0.009 0.000 0.207 496 K C 1.895 178.433 176.600 -0.104 0.000 1.049 496 K CA 1.450 57.713 56.287 -0.040 0.000 0.931 496 K CB -0.291 32.188 32.500 -0.034 0.000 0.714 496 K HN 0.299 nan 8.250 nan 0.000 0.440 497 L N 2.029 123.143 121.223 -0.182 0.000 2.017 497 L HA -0.180 4.165 4.340 0.009 0.000 0.208 497 L C 2.365 179.056 176.870 -0.297 0.000 1.073 497 L CA 1.863 56.500 54.840 -0.338 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 -0.535 119.769 120.400 -0.160 0.000 2.059 498 K HA -0.303 4.023 4.320 0.009 0.000 0.212 498 K C 2.144 178.700 176.600 -0.074 0.000 1.050 498 K CA 2.235 58.510 56.287 -0.019 0.000 0.927 498 K CB -0.288 32.328 32.500 0.193 0.000 0.714 498 K HN 0.504 nan 8.250 nan 0.000 0.447 499 E N 0.315 120.504 120.200 -0.019 0.000 2.106 499 E HA -0.161 4.194 4.350 0.009 0.000 0.192 499 E C 2.087 178.690 176.600 0.004 0.000 0.984 499 E CA 1.131 57.540 56.400 0.014 0.000 0.806 499 E CB -0.063 29.655 29.700 0.030 0.000 0.750 499 E HN 0.401 nan 8.360 nan 0.000 0.458 500 I N 0.854 121.395 120.570 -0.048 0.000 2.208 500 I HA -0.266 3.909 4.170 0.009 0.000 0.245 500 I C 2.547 178.722 176.117 0.096 0.000 1.097 500 I CA 1.110 62.389 61.300 -0.036 0.000 1.363 500 I CB -0.381 37.479 38.000 -0.232 0.000 1.051 500 I HN 0.137 nan 8.210 nan 0.000 0.413 501 V N -2.693 117.217 119.914 -0.006 0.000 2.453 501 V HA -0.185 3.940 4.120 0.009 0.000 0.247 501 V C 2.307 178.434 176.094 0.056 0.000 1.048 501 V CA 2.010 64.318 62.300 0.014 0.000 1.049 501 V CB -1.445 30.126 31.823 -0.421 0.000 0.672 501 V HN 0.324 nan 8.190 nan 0.000 0.457 502 T N 1.722 116.263 114.554 -0.021 0.000 2.570 502 T HA -0.259 4.096 4.350 0.009 0.000 0.266 502 T C 1.772 176.556 174.700 0.140 0.000 1.071 502 T CA 2.879 65.037 62.100 0.097 0.000 1.172 502 T CB -0.680 68.245 68.868 0.094 0.000 0.864 502 T HN 0.741 nan 8.240 nan 0.000 0.421 503 N N 0.095 118.873 118.700 0.131 0.000 2.058 503 N HA -0.039 4.707 4.740 0.009 0.000 0.191 503 N C 1.695 177.285 175.510 0.133 0.000 1.037 503 N CA 1.073 54.198 53.050 0.126 0.000 0.848 503 N CB -0.351 38.211 38.487 0.125 0.000 1.021 503 N HN 0.248 nan 8.380 nan 0.000 0.422 504 F N 1.886 121.860 119.950 0.040 0.000 2.115 504 F HA -0.239 4.293 4.527 0.009 0.000 0.300 504 F C 2.009 177.845 175.800 0.060 0.000 1.092 504 F CA 1.194 59.164 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 0.513 121.939 121.223 0.339 0.000 1.956 505 L HA -0.242 4.103 4.340 0.009 0.000 0.216 505 L C 2.788 179.764 176.870 0.176 0.000 1.073 505 L CA 2.202 57.236 54.840 0.323 0.000 0.762 505 L CB -2.049 40.179 42.059 0.282 0.000 0.889 505 L HN 0.294 nan 8.230 nan 0.000 0.433 506 A N -0.836 122.056 122.820 0.121 0.000 2.093 506 A HA -0.173 4.153 4.320 0.009 0.000 0.222 506 A C 2.101 179.696 177.584 0.019 0.000 1.162 506 A CA 1.855 53.935 52.037 0.071 0.000 0.655 506 A CB -0.916 18.122 19.000 0.064 0.000 0.805 506 A HN 0.562 nan 8.150 nan 0.000 0.461 507 G N -2.784 105.988 108.800 -0.047 0.000 3.044 507 G HA2 0.325 4.290 3.960 0.009 0.000 0.223 507 G HA3 0.325 4.290 3.960 0.009 0.000 0.223 507 G C 0.152 174.961 174.900 -0.151 0.000 1.123 507 G CA -0.342 44.688 45.100 -0.118 0.000 0.765 507 G HN 0.291 nan 8.290 nan 0.000 0.546 508 F N 2.433 122.222 119.950 -0.269 0.000 2.571 508 F HA 0.342 4.874 4.527 0.009 0.000 0.384 508 F C 0.623 176.376 175.800 -0.079 0.000 1.058 508 F CA -1.189 56.684 58.000 -0.212 0.000 1.200 508 F CB 0.858 39.847 39.000 -0.019 0.000 1.077 508 F HN 0.067 nan 8.300 nan 0.000 0.558 509 E N 5.370 125.134 120.200 -0.726 0.000 2.259 509 E HA 0.490 4.846 4.350 0.009 0.000 0.281 509 E C -0.303 175.953 176.600 -0.575 0.000 1.037 509 E CA -0.451 55.649 56.400 -0.501 0.000 0.854 509 E CB 0.970 30.438 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 4.325 4.320 0.009 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