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 1f3x_1_A DATA FIRST_RESID 12 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKGPDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELARAS PHSTDLMEAM DATA SEQUENCE AMGSVEASYK CLAAALIVLT ESGRSAHQVA RYRPRAPIIA VTRNHQTARQ DATA SEQUENCE AHLYRGIFPV VCKDPVQEAW AEDVDLRVNL AMNVGKARGF FKKGDVVIVL DATA SEQUENCE TGWRPGSGFT NTMRVVPVP 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 12 I HA 0.000 nan 4.170 nan 0.000 0.288 12 I C 0.000 176.107 176.117 -0.017 0.000 1.063 12 I CA 0.000 61.285 61.300 -0.025 0.000 1.566 12 I CB 0.000 37.989 38.000 -0.019 0.000 1.214 13 Q N 1.303 121.098 119.800 -0.008 0.000 3.217 13 Q HA -0.135 4.229 4.340 0.039 0.000 0.025 13 Q C -0.548 175.464 176.000 0.021 0.000 1.708 13 Q CA 1.423 57.234 55.803 0.013 0.000 0.234 13 Q CB -0.807 27.947 28.738 0.026 0.000 0.989 13 Q HN 0.761 nan 8.270 nan 0.000 0.321 14 T N -1.269 113.304 114.554 0.032 0.000 2.900 14 T HA 0.494 4.867 4.350 0.039 0.000 0.303 14 T C -0.332 174.392 174.700 0.041 0.000 1.142 14 T CA 0.438 62.556 62.100 0.031 0.000 1.007 14 T CB 1.248 70.133 68.868 0.028 0.000 1.156 14 T HN 0.798 nan 8.240 nan 0.000 0.490 15 Q N 3.168 122.991 119.800 0.038 0.000 2.406 15 Q HA -0.273 4.090 4.340 0.039 0.000 0.339 15 Q C -0.234 175.809 176.000 0.071 0.000 1.337 15 Q CA 1.061 56.894 55.803 0.049 0.000 0.985 15 Q CB -1.871 26.895 28.738 0.046 0.000 1.216 15 Q HN 0.829 nan 8.270 nan 0.000 0.415 16 Q N -1.735 118.102 119.800 0.061 0.000 2.435 16 Q HA -0.221 4.142 4.340 0.039 0.000 0.286 16 Q C 0.682 176.738 176.000 0.095 0.000 1.229 16 Q CA 1.582 57.425 55.803 0.065 0.000 0.884 16 Q CB -2.023 26.750 28.738 0.059 0.000 1.245 16 Q HN 0.807 nan 8.270 nan 0.000 0.488 17 L N -1.283 119.996 121.223 0.092 0.000 2.217 17 L HA -0.159 4.204 4.340 0.039 0.000 0.211 17 L C 2.293 179.228 176.870 0.108 0.000 1.107 17 L CA 1.463 56.358 54.840 0.092 0.000 0.783 17 L CB -0.358 41.743 42.059 0.070 0.000 0.919 17 L HN 0.369 nan 8.230 nan 0.000 0.442 18 H N 0.499 119.583 119.070 0.022 0.000 2.357 18 H HA -0.089 4.493 4.556 0.044 0.000 0.301 18 H C 2.064 177.403 175.328 0.018 0.000 1.082 18 H CA 1.484 57.539 56.048 0.012 0.000 1.342 18 H CB 0.132 29.891 29.762 -0.005 0.000 1.389 18 H HN 0.225 nan 8.280 nan 0.000 0.511 19 A N 0.357 123.101 122.820 -0.126 0.000 2.119 19 A HA 0.187 4.530 4.320 0.039 0.000 0.217 19 A C 2.453 180.078 177.584 0.069 0.000 1.153 19 A CA 1.003 52.936 52.037 -0.173 0.000 0.692 19 A CB -0.888 17.972 19.000 -0.233 0.000 0.799 19 A HN 0.594 nan 8.150 nan 0.000 0.458 20 A N -0.764 122.121 122.820 0.108 0.000 2.014 20 A HA -0.000 4.343 4.320 0.039 0.000 0.218 20 A C 1.959 179.621 177.584 0.129 0.000 1.163 20 A CA 1.414 53.555 52.037 0.174 0.000 0.652 20 A CB -0.356 18.725 19.000 0.135 0.000 0.808 20 A HN 0.408 nan 8.150 nan 0.000 0.449 21 M N -0.034 119.588 119.600 0.037 0.000 2.562 21 M HA 0.154 4.658 4.480 0.039 0.000 0.257 21 M C 1.302 177.615 176.300 0.022 0.000 1.099 21 M CA 0.263 55.572 55.300 0.015 0.000 1.099 21 M CB -1.608 30.990 32.600 -0.003 0.000 1.427 21 M HN 0.389 nan 8.290 nan 0.000 0.489 22 A N 2.125 124.945 122.820 -0.000 0.000 2.492 22 A HA 0.085 4.428 4.320 0.039 0.000 0.236 22 A C 0.803 178.479 177.584 0.153 0.000 1.078 22 A CA 0.442 52.471 52.037 -0.013 0.000 0.773 22 A CB 0.066 18.971 19.000 -0.158 0.000 1.023 22 A HN 0.509 nan 8.150 nan 0.000 0.504 23 D N -0.734 119.732 120.400 0.111 0.000 2.389 23 D HA 0.092 4.755 4.640 0.039 0.000 0.206 23 D C 0.593 177.015 176.300 0.204 0.000 1.055 23 D CA 0.931 55.018 54.000 0.145 0.000 0.856 23 D CB -0.317 40.525 40.800 0.070 0.000 0.957 23 D HN 0.585 nan 8.370 nan 0.000 0.509 24 T N -3.886 110.765 114.554 0.162 0.000 2.916 24 T HA 0.451 4.824 4.350 0.039 0.000 0.292 24 T C 0.396 175.115 174.700 0.033 0.000 1.055 24 T CA -0.812 61.399 62.100 0.185 0.000 1.009 24 T CB 1.007 69.952 68.868 0.129 0.000 1.118 24 T HN -0.228 nan 8.240 nan 0.000 0.497 25 F N 0.227 120.223 119.950 0.076 0.000 2.146 25 F HA 0.086 4.616 4.527 0.005 0.000 0.298 25 F C 2.216 177.967 175.800 -0.082 0.000 1.096 25 F CA 0.792 58.764 58.000 -0.046 0.000 1.275 25 F CB -0.486 38.554 39.000 0.066 0.000 1.008 25 F HN 0.475 nan 8.300 nan 0.000 0.480 26 L N 0.476 121.790 121.223 0.152 0.000 2.042 26 L HA -0.225 4.139 4.340 0.039 0.000 0.210 26 L C 2.278 179.132 176.870 -0.027 0.000 1.076 26 L CA 1.965 56.836 54.840 0.053 0.000 0.749 26 L CB -0.829 41.261 42.059 0.051 0.000 0.893 26 L HN 0.108 nan 8.230 nan 0.000 0.432 27 E N -1.410 118.761 120.200 -0.049 0.000 2.072 27 E HA -0.274 4.100 4.350 0.039 0.000 0.190 27 E C 2.254 178.743 176.600 -0.184 0.000 0.982 27 E CA 1.469 57.812 56.400 -0.095 0.000 0.803 27 E CB -0.306 29.349 29.700 -0.074 0.000 0.755 27 E HN 0.698 nan 8.360 nan 0.000 0.453 28 H N -0.247 118.567 119.070 -0.427 0.000 2.319 28 H HA -0.099 4.483 4.556 0.042 0.000 0.297 28 H C 1.944 177.059 175.328 -0.354 0.000 1.097 28 H CA 2.476 58.160 56.048 -0.606 0.000 1.285 28 H CB -0.183 28.806 29.762 -1.288 0.000 1.368 28 H HN 0.194 nan 8.280 nan 0.000 0.495 29 M N -1.030 118.374 119.600 -0.326 0.000 2.077 29 M HA -0.185 4.318 4.480 0.039 0.000 0.261 29 M C 2.533 178.708 176.300 -0.208 0.000 1.070 29 M CA 1.548 56.688 55.300 -0.266 0.000 1.125 29 M CB -0.241 32.298 32.600 -0.101 0.000 1.339 29 M HN 0.395 nan 8.290 nan 0.000 0.409 30 C N 0.068 119.282 119.300 -0.144 0.000 2.401 30 C HA -0.142 4.341 4.460 0.039 0.000 0.286 30 C C 2.491 177.419 174.990 -0.102 0.000 1.332 30 C CA 0.933 59.892 59.018 -0.098 0.000 1.795 30 C CB -1.417 26.284 27.740 -0.065 0.000 1.922 30 C HN 0.453 nan 8.230 nan 0.000 0.520 31 R N -0.220 120.181 120.500 -0.165 0.000 2.280 31 R HA 0.208 4.571 4.340 0.039 0.000 0.195 31 R C 0.245 176.471 176.300 -0.123 0.000 0.935 31 R CA -0.092 55.932 56.100 -0.127 0.000 1.033 31 R CB -0.070 30.090 30.300 -0.233 0.000 0.964 31 R HN 0.477 nan 8.270 nan 0.000 0.489 32 L N 2.362 123.464 121.223 -0.203 0.000 2.601 32 L HA -0.055 4.308 4.340 0.039 0.000 0.277 32 L C 0.032 176.856 176.870 -0.076 0.000 1.219 32 L CA 0.444 55.184 54.840 -0.168 0.000 0.915 32 L CB -0.011 41.934 42.059 -0.190 0.000 1.160 32 L HN -0.055 nan 8.230 nan 0.000 0.494 33 D N 3.701 124.076 120.400 -0.042 0.000 2.391 33 D HA 0.226 4.889 4.640 0.039 0.000 0.245 33 D C 0.722 177.012 176.300 -0.018 0.000 1.069 33 D CA -0.563 53.427 54.000 -0.018 0.000 0.831 33 D CB 1.596 42.400 40.800 0.006 0.000 1.204 33 D HN 0.461 nan 8.370 nan 0.000 0.503 34 I N -0.318 120.240 120.570 -0.019 0.000 3.550 34 I HA 0.162 4.355 4.170 0.039 0.000 0.295 34 I C -0.151 175.961 176.117 -0.009 0.000 1.291 34 I CA 0.433 61.724 61.300 -0.015 0.000 1.298 34 I CB 0.213 38.203 38.000 -0.017 0.000 1.026 34 I HN 0.007 nan 8.210 nan 0.000 0.491 35 D N 1.028 121.424 120.400 -0.007 0.000 2.538 35 D HA 0.128 4.792 4.640 0.039 0.000 0.231 35 D C 0.185 176.485 176.300 -0.000 0.000 1.229 35 D CA 0.220 54.217 54.000 -0.005 0.000 0.828 35 D CB 0.908 41.704 40.800 -0.008 0.000 1.035 35 D HN 0.171 nan 8.370 nan 0.000 0.495 36 S N 0.985 116.687 115.700 0.003 0.000 2.567 36 S HA 0.503 4.996 4.470 0.039 0.000 0.262 36 S C 0.168 174.775 174.600 0.013 0.000 1.237 36 S CA -0.531 57.676 58.200 0.012 0.000 1.093 36 S CB 0.007 63.219 63.200 0.019 0.000 1.095 36 S HN 0.239 nan 8.310 nan 0.000 0.489 37 A N 6.963 129.791 122.820 0.012 0.000 2.566 37 A HA 0.334 4.677 4.320 0.039 0.000 0.245 37 A C -1.862 175.732 177.584 0.017 0.000 1.056 37 A CA -0.562 51.483 52.037 0.013 0.000 0.757 37 A CB -0.251 18.758 19.000 0.015 0.000 0.979 37 A HN 0.630 nan 8.150 nan 0.000 0.508 38 P HA 0.323 nan 4.420 nan 0.000 0.275 38 P C 0.098 177.406 177.300 0.013 0.000 1.266 38 P CA -0.310 62.797 63.100 0.012 0.000 0.793 38 P CB 0.452 32.150 31.700 -0.003 0.000 1.074 39 I N -3.210 117.365 120.570 0.008 0.000 2.834 39 I HA 0.219 4.412 4.170 0.039 0.000 0.305 39 I C 1.186 177.311 176.117 0.012 0.000 1.008 39 I CA -0.553 60.753 61.300 0.009 0.000 1.273 39 I CB 0.051 38.044 38.000 -0.012 0.000 1.432 39 I HN 0.152 nan 8.210 nan 0.000 0.557 40 T N 2.832 117.416 114.554 0.050 0.000 2.684 40 T HA -0.074 4.299 4.350 0.039 0.000 0.267 40 T C 1.116 175.882 174.700 0.111 0.000 1.036 40 T CA 1.531 63.700 62.100 0.115 0.000 1.148 40 T CB -0.340 68.650 68.868 0.203 0.000 0.863 40 T HN 0.786 nan 8.240 nan 0.000 0.436 41 A N 1.746 124.515 122.820 -0.085 0.000 2.498 41 A HA 0.374 4.717 4.320 0.039 0.000 0.239 41 A C 0.468 177.992 177.584 -0.100 0.000 1.068 41 A CA -0.071 51.772 52.037 -0.323 0.000 0.766 41 A CB 0.023 18.395 19.000 -1.048 0.000 1.003 41 A HN 0.407 nan 8.150 nan 0.000 0.497 42 R N 2.156 122.680 120.500 0.039 0.000 2.437 42 R HA 0.269 4.633 4.340 0.039 0.000 0.310 42 R C -0.417 175.944 176.300 0.101 0.000 0.955 42 R CA -0.694 55.442 56.100 0.060 0.000 0.851 42 R CB 0.640 31.020 30.300 0.134 0.000 1.161 42 R HN 0.871 nan 8.270 nan 0.000 0.446 43 N N 1.271 120.013 118.700 0.070 0.000 2.405 43 N HA -0.006 4.757 4.740 0.039 0.000 0.175 43 N C -0.429 175.149 175.510 0.112 0.000 1.051 43 N CA 0.553 53.663 53.050 0.100 0.000 0.899 43 N CB 0.621 39.160 38.487 0.086 0.000 1.000 43 N HN 0.462 nan 8.380 nan 0.000 0.451 44 T N 0.997 115.605 114.554 0.090 0.000 2.729 44 T HA 0.365 4.739 4.350 0.039 0.000 0.296 44 T C 0.799 175.550 174.700 0.085 0.000 0.928 44 T CA -0.601 61.545 62.100 0.077 0.000 1.045 44 T CB 1.192 70.090 68.868 0.051 0.000 0.902 44 T HN 0.089 nan 8.240 nan 0.000 0.500 45 G N 2.925 111.775 108.800 0.083 0.000 2.432 45 G HA2 0.447 4.430 3.960 0.039 0.000 0.239 45 G HA3 0.447 4.430 3.960 0.039 0.000 0.239 45 G C -0.304 174.616 174.900 0.033 0.000 1.291 45 G CA -0.506 44.635 45.100 0.067 0.000 0.863 45 G HN 0.769 nan 8.290 nan 0.000 0.560 46 I N 1.890 122.464 120.570 0.007 0.000 2.378 46 I HA 0.296 4.489 4.170 0.039 0.000 0.291 46 I C -0.149 175.964 176.117 -0.006 0.000 0.992 46 I CA -0.471 60.835 61.300 0.010 0.000 1.154 46 I CB 1.765 39.778 38.000 0.022 0.000 1.315 46 I HN 0.221 nan 8.210 nan 0.000 0.448 47 I N 5.890 126.474 120.570 0.024 0.000 2.330 47 I HA 0.307 4.500 4.170 0.039 0.000 0.289 47 I C -0.572 175.582 176.117 0.061 0.000 1.001 47 I CA -0.372 60.961 61.300 0.055 0.000 1.193 47 I CB 1.167 39.233 38.000 0.111 0.000 1.345 47 I HN 0.523 nan 8.210 nan 0.000 0.461 48 C N 4.083 123.413 119.300 0.051 0.000 2.319 48 C HA 0.398 4.882 4.460 0.039 0.000 0.335 48 C C 0.792 175.829 174.990 0.078 0.000 1.274 48 C CA -0.516 58.536 59.018 0.056 0.000 1.806 48 C CB 0.888 28.649 27.740 0.035 0.000 2.329 48 C HN 0.650 nan 8.230 nan 0.000 0.524 49 T N 5.229 119.837 114.554 0.090 0.000 2.729 49 T HA 0.283 4.656 4.350 0.039 0.000 0.296 49 T C 0.276 175.035 174.700 0.099 0.000 0.928 49 T CA -0.089 62.077 62.100 0.110 0.000 1.045 49 T CB -0.060 68.879 68.868 0.117 0.000 0.902 49 T HN 0.347 nan 8.240 nan 0.000 0.500 50 I N 3.600 124.233 120.570 0.106 0.000 2.395 50 I HA 0.568 4.761 4.170 0.039 0.000 0.289 50 I C 0.975 177.167 176.117 0.125 0.000 1.023 50 I CA -0.066 61.291 61.300 0.096 0.000 1.350 50 I CB 0.606 38.653 38.000 0.078 0.000 1.409 50 I HN 0.767 nan 8.210 nan 0.000 0.507 51 G N 6.937 115.799 108.800 0.104 0.000 2.870 51 G HA2 0.513 4.497 3.960 0.039 0.000 0.299 51 G HA3 0.513 4.497 3.960 0.039 0.000 0.299 51 G C -2.366 172.596 174.900 0.103 0.000 1.324 51 G CA -0.444 44.734 45.100 0.130 0.000 0.808 51 G HN 0.303 nan 8.290 nan 0.000 0.535 52 P HA -0.140 nan 4.420 nan 0.000 0.217 52 P C 1.631 178.955 177.300 0.040 0.000 1.148 52 P CA 2.065 65.214 63.100 0.081 0.000 0.834 52 P CB 0.094 31.830 31.700 0.060 0.000 0.783 53 A N -0.106 122.732 122.820 0.030 0.000 2.206 53 A HA 0.034 4.377 4.320 0.039 0.000 0.211 53 A C 1.729 179.322 177.584 0.014 0.000 1.158 53 A CA 1.393 53.437 52.037 0.010 0.000 0.761 53 A CB -0.669 18.332 19.000 0.001 0.000 0.801 53 A HN 0.398 nan 8.150 nan 0.000 0.473 54 S N -2.391 113.325 115.700 0.027 0.000 3.053 54 S HA 0.239 4.732 4.470 0.039 0.000 0.255 54 S C 0.948 175.561 174.600 0.022 0.000 0.976 54 S CA -0.383 57.832 58.200 0.026 0.000 1.159 54 S CB -0.175 63.045 63.200 0.033 0.000 1.110 54 S HN 0.487 nan 8.310 nan 0.000 0.633 55 R N 2.278 122.786 120.500 0.014 0.000 2.153 55 R HA 0.097 4.460 4.340 0.039 0.000 0.218 55 R C 0.843 177.136 176.300 -0.011 0.000 1.072 55 R CA 0.943 57.037 56.100 -0.011 0.000 0.990 55 R CB -0.201 30.071 30.300 -0.046 0.000 0.889 55 R HN 0.593 nan 8.270 nan 0.000 0.452 56 S N 0.593 116.292 115.700 -0.001 0.000 2.544 56 S HA -0.001 4.492 4.470 0.039 0.000 0.290 56 S C 1.587 176.192 174.600 0.009 0.000 1.276 56 S CA -0.614 57.586 58.200 0.000 0.000 1.075 56 S CB 1.309 64.511 63.200 0.003 0.000 0.849 56 S HN -0.070 nan 8.310 nan 0.000 0.494 57 V N 2.901 122.818 119.914 0.006 0.000 2.277 57 V HA -0.228 3.916 4.120 0.039 0.000 0.253 57 V C 2.801 178.910 176.094 0.024 0.000 1.067 57 V CA 2.568 64.877 62.300 0.015 0.000 1.047 57 V CB -1.183 30.643 31.823 0.004 0.000 0.649 57 V HN 0.939 nan 8.190 nan 0.000 0.447 58 E N -0.014 120.195 120.200 0.015 0.000 2.085 58 E HA -0.181 4.192 4.350 0.039 0.000 0.194 58 E C 2.315 178.936 176.600 0.035 0.000 0.994 58 E CA 1.966 58.378 56.400 0.021 0.000 0.801 58 E CB -0.544 29.163 29.700 0.011 0.000 0.743 58 E HN 0.656 nan 8.360 nan 0.000 0.453 59 T N 0.786 115.358 114.554 0.029 0.000 2.812 59 T HA -0.068 4.305 4.350 0.039 0.000 0.264 59 T C 1.576 176.303 174.700 0.045 0.000 1.042 59 T CA 0.553 62.672 62.100 0.033 0.000 1.140 59 T CB -0.080 68.801 68.868 0.022 0.000 0.870 59 T HN 0.054 nan 8.240 nan 0.000 0.445 60 L N 1.397 122.649 121.223 0.048 0.000 2.042 60 L HA -0.081 4.282 4.340 0.039 0.000 0.210 60 L C 2.330 179.260 176.870 0.099 0.000 1.076 60 L CA 1.837 56.714 54.840 0.061 0.000 0.749 60 L CB -1.053 41.043 42.059 0.060 0.000 0.893 60 L HN 0.329 nan 8.230 nan 0.000 0.432 61 K N -0.459 120.022 120.400 0.135 0.000 2.044 61 K HA -0.198 4.145 4.320 0.039 0.000 0.210 61 K C 1.919 178.633 176.600 0.190 0.000 1.049 61 K CA 1.267 57.705 56.287 0.252 0.000 0.927 61 K CB -0.028 32.590 32.500 0.198 0.000 0.713 61 K HN 0.259 nan 8.250 nan 0.000 0.443 62 E N 0.302 120.567 120.200 0.110 0.000 2.150 62 E HA -0.101 4.272 4.350 0.039 0.000 0.193 62 E C 2.007 178.625 176.600 0.029 0.000 0.985 62 E CA 0.843 57.283 56.400 0.067 0.000 0.814 62 E CB -0.062 29.669 29.700 0.052 0.000 0.752 62 E HN 0.295 nan 8.360 nan 0.000 0.466 63 M N 0.239 119.857 119.600 0.030 0.000 2.080 63 M HA -0.140 4.364 4.480 0.039 0.000 0.260 63 M C 2.447 178.726 176.300 -0.033 0.000 1.068 63 M CA 1.242 56.546 55.300 0.006 0.000 1.109 63 M CB -0.865 31.744 32.600 0.015 0.000 1.342 63 M HN 0.094 nan 8.290 nan 0.000 0.405 64 I N -0.024 120.522 120.570 -0.041 0.000 2.163 64 I HA -0.315 3.879 4.170 0.039 0.000 0.240 64 I C 2.356 178.362 176.117 -0.185 0.000 1.081 64 I CA 1.279 62.499 61.300 -0.133 0.000 1.353 64 I CB -0.502 37.393 38.000 -0.175 0.000 1.054 64 I HN 0.313 nan 8.210 nan 0.000 0.407 65 K N 0.477 120.783 120.400 -0.157 0.000 2.152 65 K HA -0.113 4.230 4.320 0.039 0.000 0.206 65 K C 2.158 178.680 176.600 -0.129 0.000 1.048 65 K CA 1.428 57.625 56.287 -0.150 0.000 0.933 65 K CB -0.209 32.258 32.500 -0.055 0.000 0.721 65 K HN 0.198 nan 8.250 nan 0.000 0.447 66 S N -0.794 114.846 115.700 -0.101 0.000 2.489 66 S HA 0.022 4.515 4.470 0.039 0.000 0.228 66 S C 1.337 175.832 174.600 -0.174 0.000 0.995 66 S CA 0.970 59.104 58.200 -0.110 0.000 0.934 66 S CB 0.514 63.688 63.200 -0.044 0.000 0.771 66 S HN 0.650 nan 8.310 nan 0.000 0.522 67 G N 0.545 109.251 108.800 -0.156 0.000 2.672 67 G HA2 -0.142 3.841 3.960 0.039 0.000 0.197 67 G HA3 -0.142 3.841 3.960 0.039 0.000 0.197 67 G C 0.152 174.994 174.900 -0.096 0.000 0.995 67 G CA -0.239 44.776 45.100 -0.140 0.000 0.754 67 G HN 0.363 nan 8.290 nan 0.000 0.505 68 M N 1.502 121.046 119.600 -0.094 0.000 2.261 68 M HA 0.215 4.719 4.480 0.039 0.000 0.350 68 M C 0.857 177.045 176.300 -0.187 0.000 1.343 68 M CA 1.203 56.444 55.300 -0.098 0.000 1.003 68 M CB 0.095 32.656 32.600 -0.065 0.000 1.848 68 M HN 0.309 nan 8.290 nan 0.000 0.456 69 N N 2.607 121.166 118.700 -0.235 0.000 2.445 69 N HA 0.190 4.954 4.740 0.039 0.000 0.204 69 N C -1.038 174.251 175.510 -0.369 0.000 1.098 69 N CA -0.248 52.496 53.050 -0.511 0.000 0.859 69 N CB 1.051 39.136 38.487 -0.669 0.000 1.249 69 N HN 0.419 nan 8.380 nan 0.000 0.462 70 V N 1.110 120.930 119.914 -0.157 0.000 2.577 70 V HA 0.653 4.796 4.120 0.039 0.000 0.303 70 V C -0.915 175.174 176.094 -0.009 0.000 1.042 70 V CA -1.100 61.169 62.300 -0.050 0.000 0.872 70 V CB 1.528 33.371 31.823 0.034 0.000 0.998 70 V HN 0.118 nan 8.190 nan 0.000 0.423 71 A N 4.973 127.788 122.820 -0.009 0.000 2.260 71 A HA 0.740 5.083 4.320 0.039 0.000 0.308 71 A C 0.028 177.618 177.584 0.010 0.000 1.254 71 A CA -0.481 51.565 52.037 0.014 0.000 0.874 71 A CB 0.386 19.395 19.000 0.016 0.000 1.153 71 A HN 0.860 nan 8.150 nan 0.000 0.527 72 R N 3.733 124.264 120.500 0.051 0.000 2.295 72 R HA 0.508 4.872 4.340 0.039 0.000 0.324 72 R C -1.073 175.285 176.300 0.097 0.000 0.968 72 R CA -0.618 55.513 56.100 0.051 0.000 0.837 72 R CB 0.593 30.997 30.300 0.172 0.000 1.133 72 R HN 0.634 nan 8.270 nan 0.000 0.450 73 M N 3.750 123.405 119.600 0.092 0.000 2.088 73 M HA 0.195 4.698 4.480 0.039 0.000 0.346 73 M C -0.384 176.037 176.300 0.202 0.000 1.111 73 M CA -1.030 54.375 55.300 0.176 0.000 1.017 73 M CB 0.632 33.375 32.600 0.238 0.000 1.568 73 M HN 0.433 nan 8.290 nan 0.000 0.445 74 N N 2.940 121.771 118.700 0.219 0.000 2.439 74 N HA 0.167 4.930 4.740 0.039 0.000 0.243 74 N C -0.462 175.184 175.510 0.226 0.000 1.088 74 N CA -0.205 52.991 53.050 0.242 0.000 0.940 74 N CB 0.098 38.732 38.487 0.245 0.000 1.180 74 N HN 0.360 nan 8.380 nan 0.000 0.505 75 F N 1.377 121.286 119.950 -0.068 0.000 2.772 75 F HA 0.081 4.632 4.527 0.039 0.000 0.302 75 F C 2.047 177.877 175.800 0.049 0.000 1.225 75 F CA 0.130 58.106 58.000 -0.041 0.000 1.429 75 F CB -0.277 38.666 39.000 -0.095 0.000 1.104 75 F HN 0.448 nan 8.300 nan 0.000 0.550 76 S N -1.588 114.195 115.700 0.139 0.000 2.489 76 S HA -0.025 4.468 4.470 0.039 0.000 0.228 76 S C 0.132 174.480 174.600 -0.420 0.000 0.995 76 S CA 0.683 58.816 58.200 -0.113 0.000 0.934 76 S CB -0.239 62.873 63.200 -0.148 0.000 0.771 76 S HN 0.419 nan 8.310 nan 0.000 0.522 77 H N -1.544 117.602 119.070 0.127 0.000 2.977 77 H HA 0.593 5.172 4.556 0.039 0.000 0.350 77 H C 0.129 175.469 175.328 0.019 0.000 1.238 77 H CA -0.236 55.839 56.048 0.045 0.000 1.124 77 H CB 1.246 31.006 29.762 -0.003 0.000 1.866 77 H HN 0.191 nan 8.280 nan 0.000 0.550 78 G N 0.505 109.276 108.800 -0.048 0.000 2.721 78 G HA2 0.020 4.003 3.960 0.039 0.000 0.686 78 G HA3 0.020 4.003 3.960 0.039 0.000 0.686 78 G C -0.055 174.736 174.900 -0.182 0.000 1.236 78 G CA -0.472 44.418 45.100 -0.350 0.000 0.786 78 G HN 0.902 nan 8.290 nan 0.000 0.616 79 T N -1.302 113.150 114.554 -0.170 0.000 2.881 79 T HA 0.580 4.954 4.350 0.039 0.000 0.278 79 T C 1.353 176.063 174.700 0.016 0.000 0.982 79 T CA 0.421 62.495 62.100 -0.043 0.000 0.989 79 T CB 1.336 70.180 68.868 -0.040 0.000 1.058 79 T HN 0.678 nan 8.240 nan 0.000 0.529 80 H N 0.445 119.396 119.070 -0.198 0.000 2.319 80 H HA -0.131 4.448 4.556 0.039 0.000 0.299 80 H C 2.345 177.582 175.328 -0.151 0.000 1.092 80 H CA 1.888 57.685 56.048 -0.419 0.000 1.302 80 H CB 0.180 29.558 29.762 -0.640 0.000 1.373 80 H HN 0.913 nan 8.280 nan 0.000 0.497 81 E N 0.574 120.833 120.200 0.097 0.000 2.160 81 E HA -0.256 4.117 4.350 0.039 0.000 0.195 81 E C 1.948 178.596 176.600 0.080 0.000 0.991 81 E CA 1.291 57.760 56.400 0.116 0.000 0.810 81 E CB -0.535 29.218 29.700 0.088 0.000 0.742 81 E HN 0.537 nan 8.360 nan 0.000 0.466 82 Y N 1.681 121.923 120.300 -0.097 0.000 2.089 82 Y HA -0.239 4.335 4.550 0.039 0.000 0.282 82 Y C 2.315 178.105 175.900 -0.184 0.000 1.139 82 Y CA 2.247 60.231 58.100 -0.192 0.000 1.123 82 Y CB -0.341 37.903 38.460 -0.359 0.000 0.980 82 Y HN 0.113 nan 8.280 nan 0.000 0.493 83 H N -0.412 118.630 119.070 -0.047 0.000 2.489 83 H HA -0.038 4.542 4.556 0.039 0.000 0.293 83 H C 2.236 177.618 175.328 0.090 0.000 1.066 83 H CA 1.034 57.038 56.048 -0.073 0.000 1.305 83 H CB -0.582 29.070 29.762 -0.184 0.000 1.386 83 H HN 0.526 nan 8.280 nan 0.000 0.551 84 A N 0.820 123.808 122.820 0.280 0.000 1.930 84 A HA -0.141 4.202 4.320 0.039 0.000 0.217 84 A C 2.374 180.022 177.584 0.107 0.000 1.175 84 A CA 1.320 53.540 52.037 0.306 0.000 0.627 84 A CB -0.210 19.018 19.000 0.380 0.000 0.815 84 A HN 0.384 nan 8.150 nan 0.000 0.443 85 E N -0.998 119.204 120.200 0.004 0.000 2.072 85 E HA -0.148 4.225 4.350 0.039 0.000 0.190 85 E C 2.170 178.721 176.600 -0.081 0.000 0.982 85 E CA 1.432 57.801 56.400 -0.051 0.000 0.803 85 E CB -0.126 29.512 29.700 -0.104 0.000 0.755 85 E HN 0.605 nan 8.360 nan 0.000 0.453 86 T N 0.369 114.828 114.554 -0.158 0.000 2.746 86 T HA -0.114 4.259 4.350 0.039 0.000 0.267 86 T C 1.971 176.664 174.700 -0.012 0.000 1.039 86 T CA 1.086 63.114 62.100 -0.120 0.000 1.142 86 T CB -0.224 68.535 68.868 -0.181 0.000 0.866 86 T HN 0.130 nan 8.240 nan 0.000 0.444 87 I N 0.773 121.368 120.570 0.042 0.000 2.179 87 I HA -0.147 4.046 4.170 0.039 0.000 0.242 87 I C 2.773 178.910 176.117 0.034 0.000 1.088 87 I CA 1.704 63.040 61.300 0.059 0.000 1.357 87 I CB -0.414 37.638 38.000 0.087 0.000 1.051 87 I HN 0.338 nan 8.210 nan 0.000 0.409 88 K N 1.057 121.474 120.400 0.027 0.000 2.103 88 K HA -0.225 4.118 4.320 0.039 0.000 0.207 88 K C 1.819 178.428 176.600 0.016 0.000 1.048 88 K CA 1.749 58.048 56.287 0.019 0.000 0.930 88 K CB -0.058 32.452 32.500 0.016 0.000 0.716 88 K HN 0.311 nan 8.250 nan 0.000 0.444 89 N N 0.832 119.536 118.700 0.005 0.000 2.188 89 N HA -0.140 4.624 4.740 0.039 0.000 0.184 89 N C 1.927 177.454 175.510 0.028 0.000 1.018 89 N CA 1.587 54.642 53.050 0.008 0.000 0.858 89 N CB -0.403 38.078 38.487 -0.010 0.000 0.989 89 N HN 0.297 nan 8.380 nan 0.000 0.426 90 V N -0.350 119.583 119.914 0.032 0.000 2.427 90 V HA -0.077 4.066 4.120 0.039 0.000 0.248 90 V C 2.162 178.297 176.094 0.069 0.000 1.051 90 V CA 1.228 63.557 62.300 0.049 0.000 1.048 90 V CB -0.487 31.361 31.823 0.041 0.000 0.666 90 V HN 0.108 nan 8.190 nan 0.000 0.456 91 R N 0.393 120.929 120.500 0.061 0.000 2.092 91 R HA -0.055 4.308 4.340 0.039 0.000 0.231 91 R C 2.498 178.848 176.300 0.084 0.000 1.119 91 R CA 1.857 58.004 56.100 0.078 0.000 0.970 91 R CB -0.870 29.464 30.300 0.056 0.000 0.864 91 R HN 0.593 nan 8.270 nan 0.000 0.440 92 T N 1.133 115.720 114.554 0.055 0.000 2.708 92 T HA -0.137 4.236 4.350 0.039 0.000 0.266 92 T C 1.983 176.712 174.700 0.048 0.000 1.037 92 T CA 1.518 63.641 62.100 0.038 0.000 1.146 92 T CB -0.236 68.642 68.868 0.016 0.000 0.865 92 T HN 0.365 nan 8.240 nan 0.000 0.435 93 A N 1.213 124.075 122.820 0.071 0.000 1.933 93 A HA -0.111 4.232 4.320 0.039 0.000 0.218 93 A C 2.544 180.277 177.584 0.248 0.000 1.175 93 A CA 2.014 54.117 52.037 0.111 0.000 0.628 93 A CB -1.192 17.886 19.000 0.130 0.000 0.814 93 A HN 0.480 nan 8.150 nan 0.000 0.444 94 T N 0.164 114.866 114.554 0.247 0.000 2.674 94 T HA -0.105 4.269 4.350 0.039 0.000 0.265 94 T C 1.711 176.697 174.700 0.476 0.000 1.039 94 T CA 1.510 63.822 62.100 0.353 0.000 1.150 94 T CB -0.251 68.762 68.868 0.241 0.000 0.864 94 T HN 0.460 nan 8.240 nan 0.000 0.427 95 E N 1.726 122.095 120.200 0.282 0.000 2.338 95 E HA -0.050 4.324 4.350 0.039 0.000 0.197 95 E C 2.446 179.094 176.600 0.080 0.000 1.007 95 E CA 0.807 57.322 56.400 0.193 0.000 0.849 95 E CB -0.616 29.134 29.700 0.085 0.000 0.774 95 E HN 0.664 nan 8.360 nan 0.000 0.506 96 S N -0.307 115.372 115.700 -0.035 0.000 2.493 96 S HA -0.108 4.385 4.470 0.039 0.000 0.243 96 S C 1.485 175.842 174.600 -0.405 0.000 0.991 96 S CA 0.668 58.701 58.200 -0.278 0.000 0.957 96 S CB -0.401 62.528 63.200 -0.452 0.000 0.756 96 S HN 0.155 nan 8.310 nan 0.000 0.521 97 F N 0.922 120.952 119.950 0.132 0.000 2.694 97 F HA 0.559 5.110 4.527 0.040 0.000 0.292 97 F C 2.500 178.415 175.800 0.191 0.000 1.121 97 F CA -0.323 57.783 58.000 0.178 0.000 1.352 97 F CB -0.689 38.451 39.000 0.234 0.000 1.107 97 F HN 0.219 nan 8.300 nan 0.000 0.597 98 A N 0.726 123.676 122.820 0.216 0.000 1.971 98 A HA -0.301 4.043 4.320 0.039 0.000 0.222 98 A C 2.382 179.893 177.584 -0.122 0.000 1.182 98 A CA 2.459 54.340 52.037 -0.261 0.000 0.649 98 A CB -1.277 17.520 19.000 -0.338 0.000 0.818 98 A HN 0.423 nan 8.150 nan 0.000 0.458 99 S N -0.359 115.327 115.700 -0.024 0.000 2.392 99 S HA -0.189 4.304 4.470 0.039 0.000 0.232 99 S C 0.871 175.481 174.600 0.017 0.000 1.041 99 S CA 1.260 59.453 58.200 -0.011 0.000 1.026 99 S CB -0.475 62.723 63.200 -0.003 0.000 0.845 99 S HN 0.638 nan 8.310 nan 0.000 0.465 100 D N 2.232 122.676 120.400 0.072 0.000 2.412 100 D HA 0.353 5.016 4.640 0.039 0.000 0.224 100 D C -2.139 174.226 176.300 0.110 0.000 1.093 100 D CA -2.525 51.526 54.000 0.086 0.000 0.850 100 D CB 1.664 42.531 40.800 0.112 0.000 1.046 100 D HN -0.024 nan 8.370 nan 0.000 0.507 101 P HA -0.012 nan 4.420 nan 0.000 0.220 101 P C 1.421 178.786 177.300 0.108 0.000 1.148 101 P CA 0.748 63.894 63.100 0.076 0.000 0.803 101 P CB 0.475 32.196 31.700 0.034 0.000 0.782 102 I N -1.688 118.932 120.570 0.084 0.000 2.400 102 I HA -0.089 4.104 4.170 0.039 0.000 0.248 102 I C 1.567 177.729 176.117 0.077 0.000 1.109 102 I CA 0.886 62.223 61.300 0.062 0.000 1.425 102 I CB -0.281 37.731 38.000 0.020 0.000 1.094 102 I HN -0.127 nan 8.210 nan 0.000 0.425 103 L N 0.202 121.481 121.223 0.094 0.000 2.611 103 L HA 0.064 4.427 4.340 0.039 0.000 0.229 103 L C 0.217 177.159 176.870 0.120 0.000 1.137 103 L CA 0.306 55.196 54.840 0.084 0.000 0.901 103 L CB -1.148 40.957 42.059 0.076 0.000 1.098 103 L HN 0.205 nan 8.230 nan 0.000 0.456 104 Y N 1.749 122.078 120.300 0.048 0.000 2.480 104 Y HA 0.278 4.851 4.550 0.039 0.000 0.341 104 Y C 0.179 176.076 175.900 -0.005 0.000 1.031 104 Y CA -0.622 57.505 58.100 0.046 0.000 1.295 104 Y CB 0.303 38.804 38.460 0.068 0.000 1.162 104 Y HN -0.010 nan 8.280 nan 0.000 0.523 105 R N 8.205 128.317 120.500 -0.647 0.000 2.215 105 R HA 0.342 4.705 4.340 0.039 0.000 0.337 105 R C -2.586 173.219 176.300 -0.824 0.000 1.010 105 R CA -2.188 53.541 56.100 -0.617 0.000 0.871 105 R CB 0.264 30.319 30.300 -0.408 0.000 1.134 105 R HN 0.517 nan 8.270 nan 0.000 0.477 106 P HA 0.020 nan 4.420 nan 0.000 0.269 106 P C -0.635 176.629 177.300 -0.061 0.000 1.209 106 P CA -0.074 62.798 63.100 -0.380 0.000 0.776 106 P CB 1.058 32.688 31.700 -0.115 0.000 0.876 107 V N 2.116 122.019 119.914 -0.017 0.000 2.540 107 V HA 0.576 4.719 4.120 0.039 0.000 0.302 107 V C 0.516 176.641 176.094 0.052 0.000 1.035 107 V CA -0.889 61.403 62.300 -0.014 0.000 0.873 107 V CB 1.500 33.300 31.823 -0.039 0.000 0.992 107 V HN 0.773 nan 8.190 nan 0.000 0.428 108 A N 4.102 126.955 122.820 0.055 0.000 2.279 108 A HA 0.842 5.186 4.320 0.039 0.000 0.303 108 A C -0.518 177.071 177.584 0.008 0.000 1.108 108 A CA -0.492 51.581 52.037 0.060 0.000 0.830 108 A CB 1.181 20.239 19.000 0.097 0.000 1.106 108 A HN 0.720 nan 8.150 nan 0.000 0.493 109 V N 0.793 120.700 119.914 -0.012 0.000 2.448 109 V HA 0.658 4.801 4.120 0.039 0.000 0.295 109 V C 0.334 176.356 176.094 -0.121 0.000 1.025 109 V CA -0.164 62.110 62.300 -0.043 0.000 0.859 109 V CB 1.096 32.903 31.823 -0.026 0.000 0.988 109 V HN 1.192 nan 8.190 nan 0.000 0.431 110 A N 4.971 127.674 122.820 -0.195 0.000 2.355 110 A HA 0.884 5.227 4.320 0.039 0.000 0.317 110 A C -1.182 176.162 177.584 -0.399 0.000 1.094 110 A CA -0.581 51.190 52.037 -0.443 0.000 0.764 110 A CB 1.512 20.021 19.000 -0.817 0.000 1.230 110 A HN 0.866 nan 8.150 nan 0.000 0.448 111 L N 2.136 123.091 121.223 -0.446 0.000 2.287 111 L HA 0.527 4.890 4.340 0.039 0.000 0.287 111 L C -0.806 175.871 176.870 -0.321 0.000 1.022 111 L CA -0.313 54.318 54.840 -0.347 0.000 0.814 111 L CB 1.321 43.124 42.059 -0.426 0.000 1.217 111 L HN 0.666 nan 8.230 nan 0.000 0.420 112 D N 3.600 123.931 120.400 -0.113 0.000 2.280 112 D HA 0.211 4.875 4.640 0.039 0.000 0.236 112 D C -0.613 175.729 176.300 0.069 0.000 1.082 112 D CA -0.134 53.914 54.000 0.080 0.000 0.834 112 D CB 1.392 42.330 40.800 0.229 0.000 1.100 112 D HN 0.616 nan 8.370 nan 0.000 0.486 113 T N 2.994 117.581 114.554 0.054 0.000 2.898 113 T HA 0.018 4.391 4.350 0.039 0.000 0.301 113 T C 1.372 176.147 174.700 0.125 0.000 1.049 113 T CA -0.178 61.956 62.100 0.056 0.000 1.095 113 T CB 1.547 70.441 68.868 0.044 0.000 0.976 113 T HN 0.424 nan 8.240 nan 0.000 0.539 114 K N 1.567 122.050 120.400 0.138 0.000 2.098 114 K HA 0.121 4.464 4.320 0.039 0.000 0.203 114 K C 1.247 177.966 176.600 0.198 0.000 1.051 114 K CA 1.036 57.414 56.287 0.152 0.000 0.957 114 K CB -0.588 31.982 32.500 0.117 0.000 0.738 114 K HN 0.902 nan 8.250 nan 0.000 0.447 115 G N 0.665 109.560 108.800 0.159 0.000 2.601 115 G HA2 -0.239 3.745 3.960 0.039 0.000 0.261 115 G HA3 -0.239 3.745 3.960 0.039 0.000 0.261 115 G C -2.387 172.543 174.900 0.050 0.000 1.289 115 G CA -0.143 45.060 45.100 0.171 0.000 0.920 115 G HN 0.289 nan 8.290 nan 0.000 0.571 116 P HA 0.292 nan 4.420 nan 0.000 0.230 116 P C 0.015 176.999 177.300 -0.527 0.000 1.791 116 P CA 0.272 63.201 63.100 -0.286 0.000 1.020 116 P CB -0.001 31.512 31.700 -0.311 0.000 1.977 117 E N 1.054 121.067 120.200 -0.312 0.000 2.349 117 E HA 0.384 4.757 4.350 0.039 0.000 0.262 117 E C 0.034 176.489 176.600 -0.241 0.000 1.088 117 E CA -0.643 55.584 56.400 -0.289 0.000 0.899 117 E CB 1.071 30.733 29.700 -0.063 0.000 1.044 117 E HN 0.253 nan 8.360 nan 0.000 0.420 118 I N 2.476 122.926 120.570 -0.199 0.000 2.448 118 I HA 0.302 4.496 4.170 0.039 0.000 0.281 118 I C -0.399 175.679 176.117 -0.065 0.000 1.027 118 I CA -0.385 60.829 61.300 -0.144 0.000 1.111 118 I CB 1.105 39.006 38.000 -0.165 0.000 1.236 118 I HN 0.216 nan 8.210 nan 0.000 0.452 119 R N 3.275 123.747 120.500 -0.047 0.000 2.562 119 R HA 0.503 4.866 4.340 0.039 0.000 0.298 119 R C -0.032 176.263 176.300 -0.008 0.000 0.961 119 R CA -0.736 55.367 56.100 0.006 0.000 0.881 119 R CB 2.384 32.716 30.300 0.053 0.000 1.159 119 R HN 0.620 nan 8.270 nan 0.000 0.450 120 T N -0.603 113.977 114.554 0.043 0.000 2.860 120 T HA 0.312 4.685 4.350 0.039 0.000 0.299 120 T C 0.938 175.779 174.700 0.235 0.000 1.045 120 T CA -0.519 61.632 62.100 0.085 0.000 1.071 120 T CB 1.352 70.279 68.868 0.099 0.000 0.985 120 T HN 0.615 nan 8.240 nan 0.000 0.537 121 G N 0.884 109.960 108.800 0.460 0.000 2.504 121 G HA2 0.484 4.467 3.960 0.039 0.000 0.257 121 G HA3 0.484 4.467 3.960 0.039 0.000 0.257 121 G C -0.126 174.921 174.900 0.246 0.000 1.451 121 G CA -1.133 44.262 45.100 0.492 0.000 1.059 121 G HN 0.830 nan 8.290 nan 0.000 0.550 122 L N -0.125 121.191 121.223 0.156 0.000 2.466 122 L HA 0.271 4.634 4.340 0.039 0.000 0.257 122 L C 1.505 178.431 176.870 0.093 0.000 1.189 122 L CA -0.262 54.637 54.840 0.098 0.000 0.813 122 L CB 1.333 43.422 42.059 0.050 0.000 1.118 122 L HN 0.566 nan 8.230 nan 0.000 0.471 123 I N 0.939 121.554 120.570 0.075 0.000 3.158 123 I HA -0.064 4.129 4.170 0.039 0.000 0.224 123 I C 1.060 177.207 176.117 0.051 0.000 1.041 123 I CA 0.567 61.908 61.300 0.068 0.000 1.433 123 I CB 0.178 38.217 38.000 0.064 0.000 1.288 123 I HN 0.496 nan 8.210 nan 0.000 0.424 124 K N 1.674 122.098 120.400 0.040 0.000 2.827 124 K HA 0.255 4.599 4.320 0.039 0.000 0.222 124 K C 0.372 176.984 176.600 0.021 0.000 1.114 124 K CA 0.498 56.803 56.287 0.029 0.000 1.206 124 K CB -0.042 32.474 32.500 0.027 0.000 1.035 124 K HN 0.746 nan 8.250 nan 0.000 0.464 125 G N 1.104 109.915 108.800 0.019 0.000 2.225 125 G HA2 -0.257 3.726 3.960 0.039 0.000 0.267 125 G HA3 -0.257 3.726 3.960 0.039 0.000 0.267 125 G C -0.175 174.730 174.900 0.009 0.000 1.024 125 G CA 0.527 45.631 45.100 0.007 0.000 0.784 125 G HN 0.318 nan 8.290 nan 0.000 0.507 126 S N -1.773 113.938 115.700 0.018 0.000 2.569 126 S HA 0.730 5.223 4.470 0.039 0.000 0.280 126 S C 1.435 176.048 174.600 0.022 0.000 1.111 126 S CA 0.040 58.250 58.200 0.016 0.000 0.887 126 S CB 1.817 65.027 63.200 0.017 0.000 1.095 126 S HN 0.982 nan 8.310 nan 0.000 0.476 127 G N 1.476 110.285 108.800 0.015 0.000 2.666 127 G HA2 -0.074 3.910 3.960 0.039 0.000 0.215 127 G HA3 -0.074 3.910 3.960 0.039 0.000 0.215 127 G C 0.317 175.231 174.900 0.023 0.000 1.294 127 G CA 0.775 45.884 45.100 0.015 0.000 0.811 127 G HN 0.664 nan 8.290 nan 0.000 0.594 128 T N 1.835 116.401 114.554 0.019 0.000 2.871 128 T HA 0.474 4.847 4.350 0.039 0.000 0.296 128 T C 0.363 175.087 174.700 0.039 0.000 0.998 128 T CA 0.328 62.443 62.100 0.025 0.000 1.162 128 T CB 1.056 69.935 68.868 0.017 0.000 0.947 128 T HN 0.565 nan 8.240 nan 0.000 0.536 129 A N 3.340 126.193 122.820 0.055 0.000 2.288 129 A HA 0.784 5.127 4.320 0.039 0.000 0.328 129 A C 0.472 178.117 177.584 0.102 0.000 1.123 129 A CA -0.875 51.205 52.037 0.073 0.000 0.861 129 A CB 1.188 20.236 19.000 0.080 0.000 1.272 129 A HN 0.908 nan 8.150 nan 0.000 0.490 130 E N -0.538 119.730 120.200 0.114 0.000 4.369 130 E HA 0.590 4.964 4.350 0.039 0.000 0.215 130 E C -0.106 176.588 176.600 0.156 0.000 1.019 130 E CA -0.048 56.454 56.400 0.170 0.000 1.158 130 E CB -0.033 29.743 29.700 0.127 0.000 1.929 130 E HN 1.888 nan 8.360 nan 0.000 0.426 131 V N 1.726 121.685 119.914 0.075 0.000 3.688 131 V HA -0.190 3.953 4.120 0.039 0.000 0.524 131 V C 0.125 176.023 176.094 -0.327 0.000 0.682 131 V CA 1.176 63.436 62.300 -0.066 0.000 2.081 131 V CB 0.007 31.805 31.823 -0.040 0.000 2.490 131 V HN 0.971 nan 8.190 nan 0.000 0.515 132 E N 6.336 126.233 120.200 -0.505 0.000 3.310 132 E HA 0.672 5.045 4.350 0.039 0.000 0.428 132 E C 0.805 177.153 176.600 -0.419 0.000 0.365 132 E CA 0.856 56.736 56.400 -0.866 0.000 2.592 132 E CB 0.487 29.751 29.700 -0.726 0.000 2.230 132 E HN 1.041 nan 8.360 nan 0.000 0.451 133 L N -1.813 119.230 121.223 -0.301 0.000 1.351 133 L HA 0.062 4.426 4.340 0.039 0.000 0.035 133 L C -1.069 175.731 176.870 -0.117 0.000 1.688 133 L CA 0.015 54.756 54.840 -0.164 0.000 1.012 133 L CB -0.629 41.350 42.059 -0.133 0.000 1.881 133 L HN 0.523 nan 8.230 nan 0.000 0.400 134 K N 2.236 122.578 120.400 -0.096 0.000 7.426 134 K HA -0.184 4.159 4.320 0.039 0.000 0.614 134 K C -0.712 175.863 176.600 -0.043 0.000 2.587 134 K CA 1.159 57.414 56.287 -0.054 0.000 1.979 134 K CB -0.222 32.253 32.500 -0.042 0.000 1.957 134 K HN 0.279 nan 8.250 nan 0.000 0.290 135 K N 1.874 122.256 120.400 -0.029 0.000 2.467 135 K HA -0.221 4.122 4.320 0.039 0.000 0.249 135 K C 1.447 178.031 176.600 -0.027 0.000 1.077 135 K CA 1.286 57.558 56.287 -0.025 0.000 1.115 135 K CB -0.561 31.930 32.500 -0.015 0.000 0.707 135 K HN 1.027 nan 8.250 nan 0.000 0.422 136 G N 1.401 110.185 108.800 -0.025 0.000 2.826 136 G HA2 -0.451 3.532 3.960 0.039 0.000 0.235 136 G HA3 -0.451 3.532 3.960 0.039 0.000 0.235 136 G C 0.483 175.368 174.900 -0.026 0.000 1.159 136 G CA 0.670 45.756 45.100 -0.023 0.000 0.756 136 G HN 1.343 nan 8.290 nan 0.000 0.525 137 A N 1.531 124.332 122.820 -0.032 0.000 2.519 137 A HA 0.426 4.770 4.320 0.039 0.000 0.275 137 A C 0.969 178.534 177.584 -0.032 0.000 1.082 137 A CA 1.604 53.620 52.037 -0.035 0.000 0.841 137 A CB -0.386 18.584 19.000 -0.049 0.000 0.984 137 A HN 0.986 nan 8.150 nan 0.000 0.531 138 T N 3.842 118.382 114.554 -0.024 0.000 2.916 138 T HA 0.368 4.741 4.350 0.039 0.000 0.303 138 T C 0.045 174.735 174.700 -0.016 0.000 1.025 138 T CA 0.284 62.374 62.100 -0.016 0.000 1.142 138 T CB 0.433 69.297 68.868 -0.007 0.000 0.947 138 T HN 0.566 nan 8.240 nan 0.000 0.544 139 L N 2.831 124.048 121.223 -0.010 0.000 2.388 139 L HA 0.648 5.011 4.340 0.039 0.000 0.264 139 L C -0.699 176.183 176.870 0.020 0.000 0.998 139 L CA -0.841 53.996 54.840 -0.004 0.000 0.817 139 L CB 2.042 44.092 42.059 -0.014 0.000 1.338 139 L HN 0.612 nan 8.230 nan 0.000 0.414 140 K N 4.726 125.146 120.400 0.034 0.000 2.274 140 K HA 0.560 4.904 4.320 0.039 0.000 0.262 140 K C -1.074 175.579 176.600 0.087 0.000 0.961 140 K CA -0.535 55.799 56.287 0.078 0.000 0.833 140 K CB 1.342 33.882 32.500 0.066 0.000 1.102 140 K HN 0.628 nan 8.250 nan 0.000 0.436 141 I N 4.939 125.573 120.570 0.106 0.000 2.307 141 I HA 0.115 4.309 4.170 0.039 0.000 0.287 141 I C 0.302 176.506 176.117 0.145 0.000 1.054 141 I CA -0.587 60.765 61.300 0.087 0.000 1.218 141 I CB 1.295 39.309 38.000 0.024 0.000 1.398 141 I HN 0.664 nan 8.210 nan 0.000 0.475 142 T N 3.416 118.083 114.554 0.188 0.000 2.928 142 T HA 0.553 4.926 4.350 0.039 0.000 0.284 142 T C 0.661 175.520 174.700 0.265 0.000 1.008 142 T CA -0.738 61.520 62.100 0.262 0.000 1.057 142 T CB 2.022 71.082 68.868 0.320 0.000 1.018 142 T HN 0.443 nan 8.240 nan 0.000 0.493 143 L N -0.046 121.332 121.223 0.258 0.000 2.638 143 L HA 0.275 4.639 4.340 0.039 0.000 0.232 143 L C 1.115 178.265 176.870 0.466 0.000 1.099 143 L CA -0.242 54.734 54.840 0.225 0.000 0.883 143 L CB 0.075 42.183 42.059 0.082 0.000 1.136 143 L HN 0.720 nan 8.230 nan 0.000 0.492 144 D N 1.931 122.556 120.400 0.376 0.000 2.419 144 D HA -0.129 4.534 4.640 0.039 0.000 0.281 144 D C 0.850 177.217 176.300 0.111 0.000 1.398 144 D CA 0.350 54.481 54.000 0.219 0.000 1.047 144 D CB 0.347 41.283 40.800 0.226 0.000 1.115 144 D HN 0.156 nan 8.370 nan 0.000 0.540 145 N N 2.671 121.399 118.700 0.047 0.000 2.651 145 N HA -0.162 4.601 4.740 0.039 0.000 0.193 145 N C 1.345 176.595 175.510 -0.433 0.000 1.149 145 N CA 0.538 53.435 53.050 -0.256 0.000 0.933 145 N CB 0.259 38.690 38.487 -0.094 0.000 0.974 145 N HN 0.483 nan 8.380 nan 0.000 0.448 146 A N 0.367 122.928 122.820 -0.432 0.000 1.855 146 A HA -0.117 4.227 4.320 0.039 0.000 0.215 146 A C 1.028 178.262 177.584 -0.583 0.000 1.191 146 A CA 0.982 52.671 52.037 -0.580 0.000 0.613 146 A CB -0.660 17.832 19.000 -0.846 0.000 0.829 146 A HN 0.290 nan 8.150 nan 0.000 0.442 147 Y N -0.084 120.124 120.300 -0.154 0.000 2.496 147 Y HA 0.209 4.782 4.550 0.039 0.000 0.313 147 Y C 1.803 177.569 175.900 -0.222 0.000 1.184 147 Y CA 0.066 58.094 58.100 -0.120 0.000 1.275 147 Y CB -0.935 37.511 38.460 -0.022 0.000 1.103 147 Y HN 0.398 nan 8.280 nan 0.000 0.513 148 M N 0.541 119.857 119.600 -0.473 0.000 2.163 148 M HA -0.297 4.206 4.480 0.039 0.000 0.258 148 M C 0.858 176.930 176.300 -0.380 0.000 1.071 148 M CA 2.124 56.874 55.300 -0.917 0.000 1.093 148 M CB -0.049 31.913 32.600 -1.064 0.000 1.285 148 M HN 0.282 nan 8.290 nan 0.000 0.420 149 E N 0.251 120.307 120.200 -0.240 0.000 2.349 149 E HA 0.068 4.441 4.350 0.039 0.000 0.201 149 E C -0.021 176.566 176.600 -0.021 0.000 1.087 149 E CA 0.014 56.357 56.400 -0.094 0.000 1.128 149 E CB 0.113 29.757 29.700 -0.093 0.000 1.188 149 E HN 0.472 nan 8.360 nan 0.000 0.445 150 K N 0.414 120.824 120.400 0.017 0.000 3.123 150 K HA 0.211 4.554 4.320 0.039 0.000 0.209 150 K C -0.340 176.312 176.600 0.086 0.000 1.132 150 K CA -0.427 55.895 56.287 0.059 0.000 0.992 150 K CB -0.838 31.715 32.500 0.089 0.000 0.773 150 K HN 0.105 nan 8.250 nan 0.000 0.458 151 C N 3.026 122.385 119.300 0.099 0.000 2.637 151 C HA 0.506 4.989 4.460 0.039 0.000 0.418 151 C C 0.553 175.583 174.990 0.067 0.000 1.319 151 C CA -0.321 58.763 59.018 0.110 0.000 1.949 151 C CB -0.346 27.481 27.740 0.144 0.000 2.639 151 C HN 0.867 nan 8.230 nan 0.000 0.594 152 D N 1.661 122.088 120.400 0.045 0.000 2.989 152 D HA 0.186 4.850 4.640 0.039 0.000 0.284 152 D C 0.070 176.373 176.300 0.006 0.000 1.212 152 D CA -0.409 53.603 54.000 0.021 0.000 1.055 152 D CB 0.391 41.194 40.800 0.006 0.000 1.351 152 D HN 0.297 nan 8.370 nan 0.000 0.611 153 E N -0.354 119.838 120.200 -0.013 0.000 2.333 153 E HA -0.027 4.346 4.350 0.039 0.000 0.198 153 E C 1.052 177.633 176.600 -0.032 0.000 1.007 153 E CA 1.145 57.525 56.400 -0.033 0.000 0.845 153 E CB -0.087 29.588 29.700 -0.042 0.000 0.766 153 E HN 0.302 nan 8.360 nan 0.000 0.507 154 N N -0.258 118.426 118.700 -0.026 0.000 2.503 154 N HA 0.152 4.915 4.740 0.039 0.000 0.210 154 N C 0.402 175.901 175.510 -0.018 0.000 1.077 154 N CA 0.196 53.230 53.050 -0.028 0.000 0.855 154 N CB 1.038 39.501 38.487 -0.041 0.000 1.323 154 N HN 0.204 nan 8.380 nan 0.000 0.452 155 I N -0.366 120.194 120.570 -0.017 0.000 2.406 155 I HA 0.543 4.737 4.170 0.039 0.000 0.290 155 I C -1.148 175.008 176.117 0.065 0.000 0.999 155 I CA -0.987 60.317 61.300 0.006 0.000 1.124 155 I CB 1.912 39.874 38.000 -0.062 0.000 1.289 155 I HN -0.272 nan 8.210 nan 0.000 0.441 156 L N 6.892 128.174 121.223 0.097 0.000 2.346 156 L HA 0.633 4.996 4.340 0.039 0.000 0.276 156 L C -1.519 175.477 176.870 0.211 0.000 1.006 156 L CA -0.264 54.659 54.840 0.138 0.000 0.817 156 L CB 1.832 43.940 42.059 0.081 0.000 1.272 156 L HN 0.846 nan 8.230 nan 0.000 0.421 157 W N 6.431 127.773 121.300 0.070 0.000 2.520 157 W HA 0.703 5.387 4.660 0.039 0.000 0.323 157 W C -1.743 174.818 176.519 0.070 0.000 1.062 157 W CA -0.686 56.706 57.345 0.080 0.000 1.215 157 W CB 1.124 30.639 29.460 0.092 0.000 1.340 157 W HN 0.413 nan 8.180 nan 0.000 0.516 158 L N 5.395 126.037 121.223 -0.968 0.000 2.342 158 L HA 0.263 4.626 4.340 0.039 0.000 0.271 158 L C 0.730 176.638 176.870 -1.603 0.000 1.008 158 L CA -0.778 53.510 54.840 -0.919 0.000 0.818 158 L CB 1.946 43.761 42.059 -0.406 0.000 1.296 158 L HN 0.590 nan 8.230 nan 0.000 0.427 159 D N -0.503 119.301 120.400 -0.994 0.000 2.349 159 D HA -0.134 4.529 4.640 0.039 0.000 0.224 159 D C 0.065 176.254 176.300 -0.185 0.000 1.029 159 D CA 0.265 53.894 54.000 -0.618 0.000 0.879 159 D CB -0.031 40.678 40.800 -0.151 0.000 0.906 159 D HN 0.272 nan 8.370 nan 0.000 0.528 160 Y N 1.911 122.010 120.300 -0.335 0.000 2.504 160 Y HA 0.341 4.915 4.550 0.039 0.000 0.339 160 Y C 0.906 176.708 175.900 -0.164 0.000 0.974 160 Y CA -1.525 56.459 58.100 -0.193 0.000 1.232 160 Y CB 0.786 39.142 38.460 -0.173 0.000 1.108 160 Y HN -0.272 nan 8.280 nan 0.000 0.509 161 K N 2.704 122.967 120.400 -0.230 0.000 2.097 161 K HA -0.113 4.230 4.320 0.039 0.000 0.205 161 K C 0.675 177.031 176.600 -0.407 0.000 1.050 161 K CA 1.612 57.748 56.287 -0.251 0.000 0.938 161 K CB 0.159 32.614 32.500 -0.074 0.000 0.718 161 K HN 0.521 nan 8.250 nan 0.000 0.442 162 N N 1.169 119.497 118.700 -0.621 0.000 2.370 162 N HA 0.067 4.831 4.740 0.039 0.000 0.198 162 N C 1.155 176.244 175.510 -0.701 0.000 1.156 162 N CA 0.005 52.753 53.050 -0.503 0.000 0.839 162 N CB -0.013 38.329 38.487 -0.241 0.000 0.989 162 N HN 0.139 nan 8.380 nan 0.000 0.468 163 I N -0.396 119.512 120.570 -1.104 0.000 2.381 163 I HA -0.400 3.793 4.170 0.039 0.000 0.255 163 I C 1.022 176.984 176.117 -0.259 0.000 1.140 163 I CA 1.153 62.055 61.300 -0.663 0.000 1.404 163 I CB 0.047 37.804 38.000 -0.406 0.000 1.075 163 I HN 0.247 nan 8.210 nan 0.000 0.433 164 C N 0.531 119.688 119.300 -0.238 0.000 2.446 164 C HA -0.063 4.421 4.460 0.039 0.000 0.279 164 C C 2.393 177.313 174.990 -0.116 0.000 1.366 164 C CA 0.585 59.510 59.018 -0.154 0.000 1.763 164 C CB -1.051 26.606 27.740 -0.139 0.000 1.929 164 C HN 0.456 nan 8.230 nan 0.000 0.509 165 K N 0.941 121.273 120.400 -0.114 0.000 2.400 165 K HA 0.018 4.362 4.320 0.039 0.000 0.194 165 K C 1.591 178.170 176.600 -0.035 0.000 1.033 165 K CA 0.874 57.121 56.287 -0.067 0.000 1.021 165 K CB 0.104 32.568 32.500 -0.059 0.000 0.808 165 K HN 0.560 nan 8.250 nan 0.000 0.505 166 V N -2.072 117.829 119.914 -0.020 0.000 3.644 166 V HA 0.115 4.258 4.120 0.039 0.000 0.267 166 V C 0.704 176.806 176.094 0.013 0.000 1.277 166 V CA -0.492 61.822 62.300 0.023 0.000 1.096 166 V CB -0.179 31.702 31.823 0.097 0.000 0.828 166 V HN -0.021 nan 8.190 nan 0.000 0.446 167 V N -1.719 118.190 119.914 -0.009 0.000 3.093 167 V HA 0.776 4.919 4.120 0.039 0.000 0.320 167 V C -0.838 175.234 176.094 -0.036 0.000 1.093 167 V CA -0.509 61.782 62.300 -0.015 0.000 1.016 167 V CB 1.917 33.729 31.823 -0.017 0.000 1.096 167 V HN 0.294 nan 8.190 nan 0.000 0.452 168 D N -0.149 120.230 120.400 -0.035 0.000 2.714 168 D HA 0.379 5.043 4.640 0.039 0.000 0.278 168 D C -0.929 175.342 176.300 -0.049 0.000 1.102 168 D CA -0.384 53.589 54.000 -0.044 0.000 1.108 168 D CB 2.273 43.054 40.800 -0.032 0.000 1.444 168 D HN 0.720 nan 8.370 nan 0.000 0.568 169 V N 0.192 120.076 119.914 -0.050 0.000 2.521 169 V HA 0.442 4.586 4.120 0.039 0.000 0.286 169 V C 1.113 177.186 176.094 -0.035 0.000 1.034 169 V CA 1.645 63.916 62.300 -0.048 0.000 1.045 169 V CB -0.009 31.787 31.823 -0.046 0.000 0.974 169 V HN 0.894 nan 8.190 nan 0.000 0.480 170 G N 4.036 112.815 108.800 -0.034 0.000 2.232 170 G HA2 -0.222 3.761 3.960 0.039 0.000 0.226 170 G HA3 -0.222 3.761 3.960 0.039 0.000 0.226 170 G C 0.463 175.350 174.900 -0.022 0.000 0.996 170 G CA 0.144 45.229 45.100 -0.026 0.000 0.626 170 G HN 1.127 nan 8.290 nan 0.000 0.509 171 S N 1.715 117.401 115.700 -0.023 0.000 2.573 171 S HA 0.480 4.973 4.470 0.039 0.000 0.277 171 S C 0.359 174.947 174.600 -0.020 0.000 1.346 171 S CA 0.091 58.284 58.200 -0.011 0.000 1.034 171 S CB 1.038 64.231 63.200 -0.011 0.000 0.879 171 S HN 0.398 nan 8.310 nan 0.000 0.528 172 K N 1.388 121.789 120.400 0.001 0.000 2.156 172 K HA 0.614 4.958 4.320 0.039 0.000 0.254 172 K C -1.032 175.551 176.600 -0.030 0.000 0.950 172 K CA -0.637 55.622 56.287 -0.047 0.000 0.849 172 K CB 1.713 34.207 32.500 -0.009 0.000 1.100 172 K HN 0.343 nan 8.250 nan 0.000 0.434 173 V N 3.208 123.035 119.914 -0.145 0.000 2.577 173 V HA 0.317 4.461 4.120 0.039 0.000 0.303 173 V C -1.290 174.690 176.094 -0.190 0.000 1.042 173 V CA -0.957 61.307 62.300 -0.061 0.000 0.872 173 V CB 1.172 32.971 31.823 -0.041 0.000 0.998 173 V HN 0.556 nan 8.190 nan 0.000 0.423 174 Y N 3.148 123.456 120.300 0.014 0.000 2.342 174 Y HA 0.708 5.281 4.550 0.039 0.000 0.334 174 Y C 0.105 176.019 175.900 0.024 0.000 1.067 174 Y CA -0.714 57.398 58.100 0.021 0.000 1.128 174 Y CB 2.018 40.494 38.460 0.027 0.000 1.200 174 Y HN 0.376 nan 8.280 nan 0.000 0.464 175 V N 2.240 122.231 119.914 0.128 0.000 2.656 175 V HA 0.278 4.421 4.120 0.039 0.000 0.307 175 V C -0.759 175.401 176.094 0.110 0.000 1.051 175 V CA -1.327 61.032 62.300 0.097 0.000 0.893 175 V CB 1.667 33.522 31.823 0.052 0.000 0.999 175 V HN 0.837 nan 8.190 nan 0.000 0.426 176 D N 4.053 124.517 120.400 0.107 0.000 3.082 176 D HA -0.170 4.494 4.640 0.039 0.000 0.234 176 D C 0.183 176.550 176.300 0.111 0.000 1.159 176 D CA 1.132 55.195 54.000 0.106 0.000 0.875 176 D CB -0.796 40.062 40.800 0.098 0.000 0.946 176 D HN 0.878 nan 8.370 nan 0.000 0.411 177 D N 0.888 121.355 120.400 0.112 0.000 2.772 177 D HA -0.151 4.512 4.640 0.039 0.000 0.233 177 D C 1.287 177.652 176.300 0.109 0.000 1.143 177 D CA 2.034 56.093 54.000 0.099 0.000 0.700 177 D CB -1.490 39.360 40.800 0.083 0.000 1.076 177 D HN 1.266 nan 8.370 nan 0.000 0.430 178 G N -0.848 108.052 108.800 0.168 0.000 2.175 178 G HA2 -0.398 3.585 3.960 0.039 0.000 0.265 178 G HA3 -0.398 3.585 3.960 0.039 0.000 0.265 178 G C 1.220 176.279 174.900 0.265 0.000 0.979 178 G CA 0.772 46.031 45.100 0.265 0.000 0.663 178 G HN 0.519 nan 8.290 nan 0.000 0.533 179 L N -0.622 120.704 121.223 0.172 0.000 2.109 179 L HA 0.259 4.623 4.340 0.039 0.000 0.207 179 L C 1.710 178.652 176.870 0.121 0.000 1.086 179 L CA 0.805 55.726 54.840 0.134 0.000 0.760 179 L CB -0.119 42.004 42.059 0.106 0.000 0.910 179 L HN 0.290 nan 8.230 nan 0.000 0.437 180 I N -0.582 120.052 120.570 0.107 0.000 2.385 180 I HA 0.139 4.333 4.170 0.039 0.000 0.294 180 I C 0.137 176.226 176.117 -0.047 0.000 0.988 180 I CA -0.059 61.263 61.300 0.037 0.000 1.265 180 I CB 1.750 39.768 38.000 0.030 0.000 1.388 180 I HN -0.061 nan 8.210 nan 0.000 0.480 181 S N 7.332 122.948 115.700 -0.140 0.000 2.532 181 S HA 0.769 5.262 4.470 0.039 0.000 0.299 181 S C -0.966 173.488 174.600 -0.243 0.000 1.105 181 S CA -0.598 57.389 58.200 -0.356 0.000 1.018 181 S CB 0.843 63.824 63.200 -0.365 0.000 1.021 181 S HN 0.476 nan 8.310 nan 0.000 0.483 182 L N 3.230 124.293 121.223 -0.267 0.000 2.333 182 L HA 0.674 5.037 4.340 0.039 0.000 0.263 182 L C -0.481 176.300 176.870 -0.148 0.000 1.014 182 L CA -0.828 53.919 54.840 -0.156 0.000 0.820 182 L CB 2.183 44.178 42.059 -0.107 0.000 1.352 182 L HN 0.669 nan 8.230 nan 0.000 0.421 183 Q N 0.959 120.702 119.800 -0.096 0.000 2.292 183 Q HA 0.409 4.772 4.340 0.039 0.000 0.270 183 Q C -1.515 174.451 176.000 -0.057 0.000 1.024 183 Q CA -0.664 55.095 55.803 -0.074 0.000 0.768 183 Q CB 2.441 31.142 28.738 -0.062 0.000 1.250 183 Q HN 0.470 nan 8.270 nan 0.000 0.447 184 V N 5.623 125.504 119.914 -0.055 0.000 2.458 184 V HA -0.041 4.102 4.120 0.039 0.000 0.287 184 V C 0.629 176.691 176.094 -0.052 0.000 1.009 184 V CA 0.472 62.737 62.300 -0.058 0.000 1.091 184 V CB 0.413 32.197 31.823 -0.064 0.000 0.960 184 V HN 0.780 nan 8.190 nan 0.000 0.476 185 K N 3.103 123.474 120.400 -0.048 0.000 2.262 185 K HA 0.161 4.504 4.320 0.039 0.000 0.200 185 K C 0.689 177.261 176.600 -0.047 0.000 1.058 185 K CA 0.528 56.792 56.287 -0.038 0.000 0.974 185 K CB 0.341 32.826 32.500 -0.024 0.000 0.910 185 K HN 0.677 nan 8.250 nan 0.000 0.484 186 Q N 1.279 121.041 119.800 -0.064 0.000 2.309 186 Q HA 0.191 4.554 4.340 0.039 0.000 0.270 186 Q C -1.150 174.728 176.000 -0.203 0.000 1.023 186 Q CA -0.273 55.475 55.803 -0.091 0.000 0.758 186 Q CB 1.692 30.407 28.738 -0.037 0.000 1.247 186 Q HN -0.091 nan 8.270 nan 0.000 0.455 187 K N 3.402 123.675 120.400 -0.211 0.000 2.265 187 K HA 0.315 4.658 4.320 0.039 0.000 0.242 187 K C -0.181 176.181 176.600 -0.397 0.000 1.137 187 K CA -0.187 55.924 56.287 -0.294 0.000 1.082 187 K CB 0.035 32.428 32.500 -0.179 0.000 1.731 187 K HN 0.734 nan 8.250 nan 0.000 0.392 188 G N 2.882 111.196 108.800 -0.809 0.000 2.539 188 G HA2 0.189 4.173 3.960 0.039 0.000 0.258 188 G HA3 0.189 4.173 3.960 0.039 0.000 0.258 188 G C -2.571 172.020 174.900 -0.514 0.000 1.202 188 G CA -1.287 43.344 45.100 -0.781 0.000 0.851 188 G HN 0.376 nan 8.290 nan 0.000 0.556 189 P HA 0.186 nan 4.420 nan 0.000 0.270 189 P C -0.142 177.272 177.300 0.190 0.000 1.242 189 P CA 0.570 63.698 63.100 0.047 0.000 0.768 189 P CB 0.795 32.547 31.700 0.086 0.000 0.820 190 D N 2.452 122.905 120.400 0.089 0.000 3.091 190 D HA -0.176 4.487 4.640 0.039 0.000 0.216 190 D C -0.858 175.614 176.300 0.285 0.000 1.129 190 D CA 1.287 55.376 54.000 0.148 0.000 0.913 190 D CB -1.645 39.254 40.800 0.164 0.000 1.101 190 D HN 0.327 nan 8.370 nan 0.000 0.426 191 F N -2.057 117.887 119.950 -0.010 0.000 2.746 191 F HA 0.580 5.130 4.527 0.039 0.000 0.311 191 F C -2.321 173.470 175.800 -0.016 0.000 1.135 191 F CA -1.411 56.587 58.000 -0.002 0.000 0.954 191 F CB 0.672 39.684 39.000 0.020 0.000 1.276 191 F HN -0.161 nan 8.300 nan 0.000 0.440 192 L N 3.456 124.623 121.223 -0.093 0.000 2.381 192 L HA 0.623 4.987 4.340 0.039 0.000 0.274 192 L C -0.737 176.132 176.870 -0.002 0.000 0.988 192 L CA -1.038 53.687 54.840 -0.191 0.000 0.824 192 L CB 1.579 43.569 42.059 -0.116 0.000 1.263 192 L HN 0.697 nan 8.230 nan 0.000 0.410 193 V N 2.860 122.755 119.914 -0.032 0.000 2.348 193 V HA 0.562 4.705 4.120 0.039 0.000 0.270 193 V C 0.549 176.642 176.094 -0.002 0.000 1.037 193 V CA -0.307 62.031 62.300 0.064 0.000 0.872 193 V CB 1.496 33.388 31.823 0.115 0.000 1.002 193 V HN 0.965 nan 8.190 nan 0.000 0.464 194 T N 1.412 115.966 114.554 -0.001 0.000 2.930 194 T HA 0.686 5.060 4.350 0.039 0.000 0.290 194 T C -0.690 173.996 174.700 -0.023 0.000 1.052 194 T CA -0.807 61.279 62.100 -0.024 0.000 1.017 194 T CB 2.442 71.289 68.868 -0.036 0.000 1.137 194 T HN 0.610 nan 8.240 nan 0.000 0.511 195 E N 0.525 120.704 120.200 -0.035 0.000 2.183 195 E HA 0.482 4.855 4.350 0.039 0.000 0.271 195 E C -0.988 175.583 176.600 -0.049 0.000 0.919 195 E CA -1.065 55.314 56.400 -0.035 0.000 0.781 195 E CB 2.066 31.747 29.700 -0.031 0.000 1.140 195 E HN 0.580 nan 8.360 nan 0.000 0.402 196 V N 5.448 125.333 119.914 -0.048 0.000 2.415 196 V HA 0.058 4.201 4.120 0.039 0.000 0.267 196 V C 0.518 176.579 176.094 -0.055 0.000 1.042 196 V CA 0.638 62.903 62.300 -0.058 0.000 1.000 196 V CB 0.767 32.557 31.823 -0.055 0.000 1.015 196 V HN 0.856 nan 8.190 nan 0.000 0.478 197 E N 4.454 124.611 120.200 -0.071 0.000 2.022 197 E HA 0.059 4.433 4.350 0.039 0.000 0.190 197 E C 0.395 176.969 176.600 -0.043 0.000 0.973 197 E CA 0.638 57.003 56.400 -0.059 0.000 0.816 197 E CB 0.151 29.803 29.700 -0.079 0.000 0.781 197 E HN 0.785 nan 8.360 nan 0.000 0.456 198 N N -0.469 118.200 118.700 -0.051 0.000 2.992 198 N HA 0.314 5.077 4.740 0.039 0.000 0.338 198 N C 0.294 175.796 175.510 -0.014 0.000 1.376 198 N CA 0.386 53.426 53.050 -0.016 0.000 0.778 198 N CB 0.185 38.677 38.487 0.009 0.000 1.232 198 N HN 0.236 nan 8.380 nan 0.000 0.581 199 G N -1.795 107.016 108.800 0.018 0.000 2.880 199 G HA2 0.033 4.016 3.960 0.039 0.000 0.617 199 G HA3 0.033 4.016 3.960 0.039 0.000 0.617 199 G C 0.293 175.204 174.900 0.018 0.000 1.493 199 G CA 0.173 45.291 45.100 0.030 0.000 0.916 199 G HN 0.854 nan 8.290 nan 0.000 0.553 200 G N -1.011 107.812 108.800 0.039 0.000 2.610 200 G HA2 0.503 4.486 3.960 0.039 0.000 0.171 200 G HA3 0.503 4.486 3.960 0.039 0.000 0.171 200 G C -0.091 174.712 174.900 -0.160 0.000 1.281 200 G CA -0.043 45.046 45.100 -0.018 0.000 0.691 200 G HN 0.790 nan 8.290 nan 0.000 0.691 201 F N 1.979 121.942 119.950 0.022 0.000 2.404 201 F HA 0.614 5.164 4.527 0.039 0.000 0.354 201 F C -0.064 175.753 175.800 0.029 0.000 1.122 201 F CA -0.785 57.229 58.000 0.024 0.000 1.080 201 F CB 2.088 41.101 39.000 0.022 0.000 1.131 201 F HN 0.005 nan 8.300 nan 0.000 0.471 202 L N 4.064 125.362 121.223 0.124 0.000 2.307 202 L HA 0.740 5.103 4.340 0.039 0.000 0.284 202 L C -0.061 176.879 176.870 0.116 0.000 1.023 202 L CA 0.033 54.934 54.840 0.102 0.000 0.810 202 L CB 1.049 43.139 42.059 0.051 0.000 1.231 202 L HN 0.697 nan 8.230 nan 0.000 0.423 203 G N 3.042 111.906 108.800 0.108 0.000 2.702 203 G HA2 0.469 4.453 3.960 0.039 0.000 0.254 203 G HA3 0.469 4.453 3.960 0.039 0.000 0.254 203 G C -0.849 174.105 174.900 0.091 0.000 1.380 203 G CA -0.454 44.704 45.100 0.096 0.000 1.042 203 G HN 0.636 nan 8.290 nan 0.000 0.557 204 S N 0.409 116.159 115.700 0.084 0.000 2.585 204 S HA 0.392 4.886 4.470 0.039 0.000 0.277 204 S C -0.163 174.501 174.600 0.106 0.000 1.241 204 S CA -0.537 57.718 58.200 0.092 0.000 1.041 204 S CB 1.195 64.441 63.200 0.076 0.000 0.987 204 S HN 0.492 nan 8.310 nan 0.000 0.512 205 K N 1.202 121.680 120.400 0.130 0.000 3.451 205 K HA -0.137 4.206 4.320 0.039 0.000 0.273 205 K C -0.785 175.900 176.600 0.142 0.000 0.944 205 K CA 0.691 57.066 56.287 0.146 0.000 0.734 205 K CB -1.052 31.542 32.500 0.156 0.000 1.437 205 K HN 0.444 nan 8.250 nan 0.000 0.454 206 K N 0.076 120.548 120.400 0.121 0.000 2.110 206 K HA 0.336 4.680 4.320 0.039 0.000 0.263 206 K C 0.937 177.598 176.600 0.102 0.000 0.975 206 K CA -0.263 56.093 56.287 0.114 0.000 0.895 206 K CB 1.273 33.834 32.500 0.101 0.000 1.060 206 K HN 0.339 nan 8.250 nan 0.000 0.448 207 G N 0.676 109.542 108.800 0.109 0.000 2.484 207 G HA2 0.284 4.268 3.960 0.039 0.000 0.235 207 G HA3 0.284 4.268 3.960 0.039 0.000 0.235 207 G C -0.502 174.445 174.900 0.079 0.000 1.282 207 G CA -0.283 44.873 45.100 0.094 0.000 0.857 207 G HN 0.239 nan 8.290 nan 0.000 0.571 208 V N 2.483 122.427 119.914 0.049 0.000 2.656 208 V HA 0.432 4.575 4.120 0.039 0.000 0.307 208 V C -0.636 175.477 176.094 0.032 0.000 1.051 208 V CA -1.042 61.286 62.300 0.047 0.000 0.893 208 V CB 2.225 34.057 31.823 0.014 0.000 0.999 208 V HN 0.813 nan 8.190 nan 0.000 0.426 209 N N 3.599 122.351 118.700 0.086 0.000 2.249 209 N HA 0.669 5.432 4.740 0.039 0.000 0.296 209 N C -1.373 174.207 175.510 0.116 0.000 1.051 209 N CA -0.582 52.511 53.050 0.073 0.000 0.815 209 N CB 2.018 40.557 38.487 0.086 0.000 1.487 209 N HN 0.378 nan 8.380 nan 0.000 0.475 210 L N 3.572 124.829 121.223 0.057 0.000 2.603 210 L HA 0.428 4.792 4.340 0.039 0.000 0.242 210 L C -1.579 175.331 176.870 0.067 0.000 1.169 210 L CA -2.038 52.849 54.840 0.077 0.000 1.029 210 L CB 0.419 42.507 42.059 0.048 0.000 1.361 210 L HN 0.462 nan 8.230 nan 0.000 0.439 211 P HA -0.211 nan 4.420 nan 0.000 0.219 211 P C 1.272 178.595 177.300 0.039 0.000 1.159 211 P CA 1.686 64.820 63.100 0.058 0.000 0.944 211 P CB 0.330 32.071 31.700 0.069 0.000 0.792 212 G N -2.221 106.605 108.800 0.043 0.000 3.383 212 G HA2 0.420 4.403 3.960 0.039 0.000 0.251 212 G HA3 0.420 4.403 3.960 0.039 0.000 0.251 212 G C 0.184 175.084 174.900 -0.001 0.000 1.203 212 G CA 0.368 45.472 45.100 0.006 0.000 0.852 212 G HN 0.505 nan 8.290 nan 0.000 0.531 213 A N -0.375 122.452 122.820 0.012 0.000 2.322 213 A HA 0.830 5.173 4.320 0.039 0.000 0.327 213 A C 0.143 177.729 177.584 0.004 0.000 1.134 213 A CA -0.251 51.794 52.037 0.013 0.000 0.831 213 A CB 1.451 20.473 19.000 0.036 0.000 1.288 213 A HN 0.780 nan 8.150 nan 0.000 0.472 214 A N 1.341 124.167 122.820 0.010 0.000 2.880 214 A HA 0.527 4.870 4.320 0.039 0.000 0.328 214 A C -0.131 177.461 177.584 0.013 0.000 1.440 214 A CA -0.348 51.692 52.037 0.005 0.000 1.068 214 A CB -0.787 18.216 19.000 0.006 0.000 1.163 214 A HN 0.923 nan 8.150 nan 0.000 0.510 215 V N 2.829 122.724 119.914 -0.032 0.000 2.475 215 V HA -0.049 4.094 4.120 0.039 0.000 0.292 215 V C 0.868 176.922 176.094 -0.066 0.000 1.003 215 V CA 0.870 63.110 62.300 -0.099 0.000 1.120 215 V CB 0.117 31.747 31.823 -0.323 0.000 0.937 215 V HN 0.929 nan 8.190 nan 0.000 0.476 216 D N 3.496 123.921 120.400 0.041 0.000 2.328 216 D HA 0.055 4.718 4.640 0.039 0.000 0.226 216 D C 0.542 176.857 176.300 0.024 0.000 1.066 216 D CA -0.130 53.898 54.000 0.047 0.000 0.861 216 D CB -0.149 40.705 40.800 0.090 0.000 0.912 216 D HN 0.470 nan 8.370 nan 0.000 0.521 217 L N 1.193 122.381 121.223 -0.059 0.000 2.503 217 L HA 0.123 4.486 4.340 0.039 0.000 0.287 217 L C -1.563 175.282 176.870 -0.040 0.000 1.252 217 L CA -1.214 53.588 54.840 -0.063 0.000 0.835 217 L CB -0.205 41.728 42.059 -0.210 0.000 1.099 217 L HN 0.016 nan 8.230 nan 0.000 0.516 218 P HA 0.061 nan 4.420 nan 0.000 0.276 218 P C -0.066 177.235 177.300 0.001 0.000 1.235 218 P CA -0.284 62.818 63.100 0.003 0.000 0.772 218 P CB 1.393 33.104 31.700 0.017 0.000 0.871 219 A N 4.250 127.078 122.820 0.012 0.000 1.892 219 A HA -0.071 4.273 4.320 0.039 0.000 0.218 219 A C 1.030 178.635 177.584 0.036 0.000 1.188 219 A CA 1.526 53.579 52.037 0.026 0.000 0.631 219 A CB -0.705 18.311 19.000 0.026 0.000 0.822 219 A HN 0.465 nan 8.150 nan 0.000 0.447 220 V N 0.774 120.707 119.914 0.032 0.000 2.407 220 V HA 0.451 4.594 4.120 0.039 0.000 0.291 220 V C 0.258 176.373 176.094 0.035 0.000 1.018 220 V CA -0.117 62.204 62.300 0.036 0.000 0.842 220 V CB 1.301 33.145 31.823 0.035 0.000 0.996 220 V HN 0.602 nan 8.190 nan 0.000 0.426 221 S N 2.998 118.721 115.700 0.039 0.000 2.738 221 S HA 0.438 4.931 4.470 0.039 0.000 0.284 221 S C 0.948 175.576 174.600 0.047 0.000 1.146 221 S CA -0.165 58.058 58.200 0.039 0.000 0.997 221 S CB 1.701 64.923 63.200 0.037 0.000 1.081 221 S HN 0.608 nan 8.310 nan 0.000 0.553 222 E N 0.766 120.994 120.200 0.046 0.000 2.077 222 E HA -0.103 4.270 4.350 0.039 0.000 0.193 222 E C 1.779 178.415 176.600 0.061 0.000 0.989 222 E CA 1.352 57.782 56.400 0.049 0.000 0.800 222 E CB -0.252 29.474 29.700 0.043 0.000 0.746 222 E HN 0.572 nan 8.360 nan 0.000 0.452 223 K N 0.646 121.085 120.400 0.064 0.000 2.026 223 K HA -0.148 4.196 4.320 0.039 0.000 0.208 223 K C 1.484 178.149 176.600 0.108 0.000 1.048 223 K CA 1.703 58.040 56.287 0.084 0.000 0.929 223 K CB -0.414 32.134 32.500 0.080 0.000 0.713 223 K HN 0.190 nan 8.250 nan 0.000 0.439 224 D N 0.774 121.225 120.400 0.085 0.000 2.097 224 D HA -0.133 4.531 4.640 0.039 0.000 0.195 224 D C 2.122 178.461 176.300 0.065 0.000 0.989 224 D CA 0.938 54.982 54.000 0.072 0.000 0.827 224 D CB -0.257 40.576 40.800 0.055 0.000 0.966 224 D HN 0.251 nan 8.370 nan 0.000 0.456 225 I N 1.014 121.623 120.570 0.065 0.000 2.194 225 I HA -0.323 3.870 4.170 0.039 0.000 0.246 225 I C 2.435 178.606 176.117 0.090 0.000 1.093 225 I CA 1.331 62.669 61.300 0.063 0.000 1.355 225 I CB -0.320 37.715 38.000 0.058 0.000 1.046 225 I HN 0.029 nan 8.210 nan 0.000 0.413 226 Q N 0.266 120.140 119.800 0.124 0.000 2.119 226 Q HA -0.188 4.176 4.340 0.039 0.000 0.201 226 Q C 1.736 177.903 176.000 0.278 0.000 0.972 226 Q CA 1.284 57.204 55.803 0.195 0.000 0.847 226 Q CB -0.083 28.765 28.738 0.183 0.000 0.903 226 Q HN 0.525 nan 8.270 nan 0.000 0.433 227 D N 0.687 121.217 120.400 0.218 0.000 2.178 227 D HA -0.102 4.562 4.640 0.039 0.000 0.202 227 D C 1.946 178.209 176.300 -0.061 0.000 0.974 227 D CA 0.845 54.897 54.000 0.088 0.000 0.841 227 D CB 0.018 40.824 40.800 0.010 0.000 0.953 227 D HN 0.230 nan 8.370 nan 0.000 0.478 228 L N 0.398 121.605 121.223 -0.026 0.000 2.027 228 L HA -0.148 4.215 4.340 0.039 0.000 0.206 228 L C 2.407 179.269 176.870 -0.014 0.000 1.074 228 L CA 0.940 55.745 54.840 -0.057 0.000 0.745 228 L CB -0.219 41.825 42.059 -0.025 0.000 0.898 228 L HN -0.129 nan 8.230 nan 0.000 0.433 229 K N -0.103 120.328 120.400 0.052 0.000 2.044 229 K HA -0.243 4.100 4.320 0.039 0.000 0.210 229 K C 1.878 178.526 176.600 0.079 0.000 1.049 229 K CA 1.698 58.026 56.287 0.070 0.000 0.927 229 K CB -0.616 31.952 32.500 0.113 0.000 0.713 229 K HN 0.110 nan 8.250 nan 0.000 0.443 230 F N 0.384 120.315 119.950 -0.032 0.000 2.126 230 F HA -0.110 4.440 4.527 0.039 0.000 0.299 230 F C 1.970 177.702 175.800 -0.113 0.000 1.096 230 F CA 1.951 59.907 58.000 -0.074 0.000 1.255 230 F CB -0.787 38.059 39.000 -0.256 0.000 0.997 230 F HN 0.091 nan 8.300 nan 0.000 0.479 231 G N -0.007 108.696 108.800 -0.162 0.000 2.440 231 G HA2 -0.227 3.756 3.960 0.039 0.000 0.218 231 G HA3 -0.227 3.756 3.960 0.039 0.000 0.218 231 G C 1.735 176.501 174.900 -0.223 0.000 1.154 231 G CA 1.315 46.264 45.100 -0.253 0.000 0.767 231 G HN 0.352 nan 8.290 nan 0.000 0.552 232 V N 0.551 120.377 119.914 -0.147 0.000 2.295 232 V HA -0.149 3.994 4.120 0.039 0.000 0.246 232 V C 2.774 178.787 176.094 -0.135 0.000 1.049 232 V CA 2.077 64.313 62.300 -0.107 0.000 1.024 232 V CB -0.422 31.367 31.823 -0.057 0.000 0.648 232 V HN 0.235 nan 8.190 nan 0.000 0.447 233 E N 0.207 120.306 120.200 -0.169 0.000 2.058 233 E HA -0.199 4.175 4.350 0.039 0.000 0.194 233 E C 2.303 178.752 176.600 -0.252 0.000 0.997 233 E CA 1.313 57.603 56.400 -0.183 0.000 0.801 233 E CB -0.354 29.235 29.700 -0.186 0.000 0.746 233 E HN 0.534 nan 8.360 nan 0.000 0.450 234 Q N 0.266 119.812 119.800 -0.423 0.000 2.488 234 Q HA -0.062 4.301 4.340 0.039 0.000 0.211 234 Q C -0.140 175.739 176.000 -0.202 0.000 0.967 234 Q CA 0.780 56.360 55.803 -0.372 0.000 0.926 234 Q CB -0.125 28.280 28.738 -0.556 0.000 0.992 234 Q HN 0.247 nan 8.270 nan 0.000 0.506 235 D N -0.203 120.095 120.400 -0.169 0.000 2.760 235 D HA -0.138 4.525 4.640 0.039 0.000 0.244 235 D C -0.442 175.806 176.300 -0.086 0.000 1.123 235 D CA 0.512 54.451 54.000 -0.102 0.000 0.719 235 D CB -1.160 39.599 40.800 -0.069 0.000 1.045 235 D HN 0.118 nan 8.370 nan 0.000 0.426 236 V N -1.932 117.916 119.914 -0.111 0.000 2.881 236 V HA 0.403 4.546 4.120 0.039 0.000 0.303 236 V C 1.394 177.444 176.094 -0.073 0.000 1.070 236 V CA 0.093 62.333 62.300 -0.100 0.000 1.074 236 V CB 1.596 33.331 31.823 -0.146 0.000 1.012 236 V HN 0.083 nan 8.190 nan 0.000 0.482 237 D N 2.763 123.128 120.400 -0.057 0.000 2.249 237 D HA 0.120 4.783 4.640 0.039 0.000 0.205 237 D C 0.677 176.958 176.300 -0.033 0.000 0.962 237 D CA 1.606 55.593 54.000 -0.022 0.000 0.860 237 D CB 0.357 41.165 40.800 0.013 0.000 0.955 237 D HN 0.823 nan 8.370 nan 0.000 0.505 238 M N -1.329 118.213 119.600 -0.096 0.000 2.644 238 M HA 0.522 5.025 4.480 0.039 0.000 0.273 238 M C -1.719 174.458 176.300 -0.205 0.000 1.253 238 M CA -0.955 54.287 55.300 -0.098 0.000 0.852 238 M CB 2.978 35.556 32.600 -0.036 0.000 1.708 238 M HN -0.427 nan 8.290 nan 0.000 0.471 239 V N 1.997 121.849 119.914 -0.103 0.000 2.540 239 V HA 0.543 4.686 4.120 0.039 0.000 0.302 239 V C -1.393 174.781 176.094 0.134 0.000 1.035 239 V CA -0.393 61.845 62.300 -0.104 0.000 0.873 239 V CB 1.972 33.759 31.823 -0.059 0.000 0.992 239 V HN 0.691 nan 8.190 nan 0.000 0.428 240 F N 3.349 123.266 119.950 -0.055 0.000 2.309 240 F HA 0.566 5.117 4.527 0.040 0.000 0.366 240 F C 0.843 176.614 175.800 -0.050 0.000 1.104 240 F CA -1.614 56.357 58.000 -0.049 0.000 1.179 240 F CB 0.798 39.773 39.000 -0.040 0.000 1.437 240 F HN 0.544 nan 8.300 nan 0.000 0.528 241 A N 2.353 125.250 122.820 0.128 0.000 2.475 241 A HA 0.280 4.624 4.320 0.039 0.000 0.293 241 A C 0.844 178.447 177.584 0.031 0.000 1.252 241 A CA 0.065 52.138 52.037 0.061 0.000 0.920 241 A CB -0.240 18.781 19.000 0.036 0.000 1.125 241 A HN 0.549 nan 8.150 nan 0.000 0.528 242 S N 1.882 117.607 115.700 0.042 0.000 2.562 242 S HA 0.353 4.846 4.470 0.039 0.000 0.281 242 S C 0.399 175.033 174.600 0.057 0.000 1.333 242 S CA -0.029 58.148 58.200 -0.039 0.000 1.052 242 S CB -0.568 62.666 63.200 0.056 0.000 0.884 242 S HN 1.020 nan 8.310 nan 0.000 0.506 243 F N 0.287 120.234 119.950 -0.003 0.000 3.093 243 F HA -0.232 4.319 4.527 0.039 0.000 0.283 243 F C 0.525 176.315 175.800 -0.015 0.000 0.848 243 F CA 0.576 58.568 58.000 -0.014 0.000 1.059 243 F CB -2.474 36.511 39.000 -0.024 0.000 1.191 243 F HN 0.650 nan 8.300 nan 0.000 0.514 244 I N 0.122 120.743 120.570 0.084 0.000 2.668 244 I HA 0.192 4.385 4.170 0.039 0.000 0.285 244 I C 1.280 177.424 176.117 0.045 0.000 1.168 244 I CA 0.037 61.368 61.300 0.051 0.000 1.424 244 I CB 0.909 38.911 38.000 0.003 0.000 1.377 244 I HN 0.291 nan 8.210 nan 0.000 0.560 245 R N 4.905 125.431 120.500 0.042 0.000 2.476 245 R HA 0.420 4.783 4.340 0.039 0.000 0.276 245 R C -0.343 175.965 176.300 0.013 0.000 0.941 245 R CA -0.550 55.575 56.100 0.040 0.000 1.088 245 R CB -0.072 30.262 30.300 0.056 0.000 1.216 245 R HN 0.816 nan 8.270 nan 0.000 0.533 246 K N -2.073 118.316 120.400 -0.018 0.000 2.685 246 K HA 0.506 4.849 4.320 0.039 0.000 0.290 246 K C -0.129 176.411 176.600 -0.101 0.000 1.018 246 K CA -0.367 55.893 56.287 -0.044 0.000 0.860 246 K CB 0.706 33.194 32.500 -0.019 0.000 1.498 246 K HN -0.166 nan 8.250 nan 0.000 0.390 247 A N 1.074 123.813 122.820 -0.135 0.000 1.917 247 A HA -0.182 4.161 4.320 0.039 0.000 0.219 247 A C 2.299 179.667 177.584 -0.360 0.000 1.182 247 A CA 2.735 54.606 52.037 -0.276 0.000 0.633 247 A CB -1.255 17.634 19.000 -0.186 0.000 0.819 247 A HN 0.883 nan 8.150 nan 0.000 0.448 248 A N 0.065 122.818 122.820 -0.110 0.000 1.917 248 A HA -0.255 4.088 4.320 0.039 0.000 0.219 248 A C 1.764 179.331 177.584 -0.030 0.000 1.182 248 A CA 2.080 54.118 52.037 0.003 0.000 0.633 248 A CB -0.696 18.326 19.000 0.038 0.000 0.819 248 A HN 0.512 nan 8.150 nan 0.000 0.448 249 D N -0.225 120.143 120.400 -0.054 0.000 2.104 249 D HA -0.122 4.542 4.640 0.039 0.000 0.194 249 D C 2.096 178.365 176.300 -0.051 0.000 0.994 249 D CA 1.609 55.590 54.000 -0.031 0.000 0.830 249 D CB -0.635 40.154 40.800 -0.019 0.000 0.959 249 D HN 0.249 nan 8.370 nan 0.000 0.452 250 V N 0.758 120.590 119.914 -0.136 0.000 2.295 250 V HA -0.259 3.885 4.120 0.039 0.000 0.246 250 V C 2.066 178.117 176.094 -0.071 0.000 1.049 250 V CA 1.796 64.014 62.300 -0.137 0.000 1.024 250 V CB -0.804 30.878 31.823 -0.234 0.000 0.648 250 V HN 0.334 nan 8.190 nan 0.000 0.447 251 H N -0.412 118.656 119.070 -0.003 0.000 2.421 251 H HA -0.149 4.430 4.556 0.039 0.000 0.298 251 H C 2.453 177.783 175.328 0.004 0.000 1.087 251 H CA 1.431 57.479 56.048 -0.001 0.000 1.330 251 H CB 0.151 29.911 29.762 -0.003 0.000 1.388 251 H HN 0.502 nan 8.280 nan 0.000 0.526 252 E N 0.259 120.527 120.200 0.112 0.000 2.077 252 E HA -0.134 4.239 4.350 0.039 0.000 0.193 252 E C 2.276 178.908 176.600 0.053 0.000 0.989 252 E CA 1.066 57.508 56.400 0.071 0.000 0.800 252 E CB 0.154 29.883 29.700 0.049 0.000 0.746 252 E HN 0.217 nan 8.360 nan 0.000 0.452 253 V N 0.926 120.865 119.914 0.042 0.000 2.427 253 V HA -0.234 3.909 4.120 0.039 0.000 0.248 253 V C 2.338 178.452 176.094 0.034 0.000 1.051 253 V CA 1.730 64.048 62.300 0.029 0.000 1.048 253 V CB -0.405 31.428 31.823 0.018 0.000 0.666 253 V HN 0.125 nan 8.190 nan 0.000 0.456 254 R N 0.890 121.423 120.500 0.055 0.000 2.073 254 R HA -0.160 4.203 4.340 0.039 0.000 0.234 254 R C 2.293 178.620 176.300 0.045 0.000 1.134 254 R CA 1.934 58.069 56.100 0.059 0.000 0.952 254 R CB -0.520 29.843 30.300 0.105 0.000 0.850 254 R HN 0.465 nan 8.270 nan 0.000 0.433 255 K N -0.380 120.050 120.400 0.051 0.000 2.026 255 K HA -0.136 4.207 4.320 0.039 0.000 0.208 255 K C 1.814 178.430 176.600 0.027 0.000 1.048 255 K CA 1.725 58.032 56.287 0.034 0.000 0.929 255 K CB -0.165 32.357 32.500 0.036 0.000 0.713 255 K HN 0.085 nan 8.250 nan 0.000 0.439 256 I N 1.184 121.771 120.570 0.028 0.000 2.226 256 I HA -0.261 3.932 4.170 0.039 0.000 0.245 256 I C 1.976 178.103 176.117 0.017 0.000 1.100 256 I CA 0.958 62.273 61.300 0.024 0.000 1.374 256 I CB -0.450 37.565 38.000 0.025 0.000 1.057 256 I HN 0.168 nan 8.210 nan 0.000 0.413 257 L N 0.179 121.409 121.223 0.012 0.000 2.131 257 L HA 0.020 4.384 4.340 0.039 0.000 0.210 257 L C 1.688 178.562 176.870 0.006 0.000 1.092 257 L CA 1.396 56.237 54.840 0.002 0.000 0.759 257 L CB -1.818 40.241 42.059 -0.001 0.000 0.903 257 L HN 0.472 nan 8.230 nan 0.000 0.435 258 G N -0.534 108.273 108.800 0.013 0.000 2.591 258 G HA2 -0.462 3.521 3.960 0.039 0.000 0.278 258 G HA3 -0.462 3.521 3.960 0.039 0.000 0.278 258 G C 0.890 175.796 174.900 0.009 0.000 1.293 258 G CA 0.714 45.821 45.100 0.012 0.000 0.930 258 G HN 0.312 nan 8.290 nan 0.000 0.562 259 E N -0.050 120.154 120.200 0.008 0.000 2.072 259 E HA -0.073 4.300 4.350 0.039 0.000 0.191 259 E C 2.392 178.995 176.600 0.005 0.000 0.985 259 E CA 2.163 58.568 56.400 0.007 0.000 0.801 259 E CB -0.232 29.472 29.700 0.006 0.000 0.750 259 E HN 0.572 nan 8.360 nan 0.000 0.452 260 K N -1.144 119.258 120.400 0.003 0.000 2.288 260 K HA -0.014 4.329 4.320 0.039 0.000 0.201 260 K C 1.296 177.892 176.600 -0.005 0.000 1.048 260 K CA 1.188 57.474 56.287 -0.002 0.000 0.956 260 K CB -0.123 32.374 32.500 -0.004 0.000 0.746 260 K HN 0.210 nan 8.250 nan 0.000 0.461 261 G N 1.118 109.915 108.800 -0.004 0.000 3.575 261 G HA2 -0.017 3.966 3.960 0.039 0.000 0.273 261 G HA3 -0.017 3.966 3.960 0.039 0.000 0.273 261 G C 0.761 175.663 174.900 0.003 0.000 1.053 261 G CA -0.371 44.724 45.100 -0.008 0.000 0.803 261 G HN 0.325 nan 8.290 nan 0.000 0.528 262 K N 0.283 120.688 120.400 0.009 0.000 2.173 262 K HA -0.165 4.178 4.320 0.039 0.000 0.207 262 K C 1.378 177.993 176.600 0.025 0.000 1.046 262 K CA 1.607 57.904 56.287 0.017 0.000 0.929 262 K CB -0.348 32.162 32.500 0.017 0.000 0.720 262 K HN 0.320 nan 8.250 nan 0.000 0.453 263 N N 0.442 119.156 118.700 0.024 0.000 2.412 263 N HA 0.143 4.907 4.740 0.039 0.000 0.184 263 N C -0.170 175.361 175.510 0.035 0.000 1.101 263 N CA -0.269 52.802 53.050 0.035 0.000 0.881 263 N CB 0.146 38.654 38.487 0.036 0.000 0.969 263 N HN 0.139 nan 8.380 nan 0.000 0.459 264 I N 2.310 122.891 120.570 0.019 0.000 2.517 264 I HA 0.002 4.196 4.170 0.039 0.000 0.285 264 I C 0.188 176.319 176.117 0.023 0.000 1.106 264 I CA -0.143 61.162 61.300 0.009 0.000 1.402 264 I CB 0.471 38.461 38.000 -0.017 0.000 1.399 264 I HN -0.113 nan 8.210 nan 0.000 0.535 265 K N 7.608 128.029 120.400 0.035 0.000 2.368 265 K HA 0.408 4.751 4.320 0.039 0.000 0.282 265 K C -0.332 176.293 176.600 0.043 0.000 1.035 265 K CA -0.171 56.145 56.287 0.047 0.000 0.973 265 K CB 1.075 33.612 32.500 0.062 0.000 0.957 265 K HN 0.510 nan 8.250 nan 0.000 0.474 266 I N 4.404 124.999 120.570 0.041 0.000 2.321 266 I HA 0.177 4.370 4.170 0.039 0.000 0.291 266 I C 0.013 176.161 176.117 0.051 0.000 0.998 266 I CA -0.714 60.613 61.300 0.045 0.000 1.227 266 I CB 0.884 38.899 38.000 0.025 0.000 1.368 266 I HN 0.185 nan 8.210 nan 0.000 0.466 267 I N 5.409 126.043 120.570 0.108 0.000 2.330 267 I HA 0.212 4.405 4.170 0.039 0.000 0.286 267 I C 0.384 176.515 176.117 0.024 0.000 1.025 267 I CA -0.180 61.160 61.300 0.066 0.000 1.197 267 I CB 0.915 38.988 38.000 0.120 0.000 1.358 267 I HN 0.459 nan 8.210 nan 0.000 0.467 268 S N 6.226 121.913 115.700 -0.022 0.000 2.549 268 S HA 0.240 4.734 4.470 0.039 0.000 0.279 268 S C 0.339 174.905 174.600 -0.058 0.000 1.321 268 S CA -0.387 57.794 58.200 -0.032 0.000 1.054 268 S CB 0.667 63.839 63.200 -0.047 0.000 0.899 268 S HN 0.370 nan 8.310 nan 0.000 0.497 269 K N 2.763 123.119 120.400 -0.073 0.000 2.234 269 K HA 0.358 4.701 4.320 0.039 0.000 0.277 269 K C -0.697 175.838 176.600 -0.108 0.000 1.038 269 K CA -0.455 55.754 56.287 -0.130 0.000 0.888 269 K CB 0.655 33.045 32.500 -0.183 0.000 1.091 269 K HN 0.400 nan 8.250 nan 0.000 0.467 270 I N 4.426 124.941 120.570 -0.092 0.000 2.297 270 I HA 0.072 4.266 4.170 0.039 0.000 0.291 270 I C 0.628 176.675 176.117 -0.117 0.000 1.033 270 I CA 0.099 61.365 61.300 -0.058 0.000 1.253 270 I CB 0.724 38.718 38.000 -0.010 0.000 1.396 270 I HN 0.793 nan 8.210 nan 0.000 0.476 271 E N 4.618 124.747 120.200 -0.117 0.000 3.085 271 E HA 0.207 4.580 4.350 0.039 0.000 0.179 271 E C -0.784 175.815 176.600 -0.002 0.000 0.951 271 E CA -0.582 55.739 56.400 -0.131 0.000 1.326 271 E CB 0.236 29.742 29.700 -0.323 0.000 1.043 271 E HN 0.664 nan 8.360 nan 0.000 0.457 272 N N -0.919 117.802 118.700 0.035 0.000 2.710 272 N HA 0.065 4.828 4.740 0.039 0.000 0.257 272 N C 0.260 175.813 175.510 0.072 0.000 1.327 272 N CA -0.762 52.342 53.050 0.091 0.000 0.861 272 N CB 0.699 39.285 38.487 0.164 0.000 1.532 272 N HN -0.090 nan 8.380 nan 0.000 0.499 273 H N 0.305 119.379 119.070 0.007 0.000 2.289 273 H HA -0.208 4.372 4.556 0.039 0.000 0.294 273 H C 1.183 176.516 175.328 0.007 0.000 1.095 273 H CA 2.828 58.874 56.048 -0.004 0.000 1.256 273 H CB 0.121 29.879 29.762 -0.007 0.000 1.359 273 H HN 0.855 nan 8.280 nan 0.000 0.487 274 E N -0.234 120.098 120.200 0.220 0.000 2.065 274 E HA -0.146 4.227 4.350 0.039 0.000 0.201 274 E C 2.546 179.201 176.600 0.092 0.000 1.016 274 E CA 1.980 58.468 56.400 0.147 0.000 0.818 274 E CB -0.964 28.793 29.700 0.095 0.000 0.749 274 E HN 0.566 nan 8.360 nan 0.000 0.453 275 G N -0.220 108.624 108.800 0.073 0.000 2.442 275 G HA2 -0.235 3.749 3.960 0.039 0.000 0.219 275 G HA3 -0.235 3.749 3.960 0.039 0.000 0.219 275 G C 1.730 176.678 174.900 0.081 0.000 1.141 275 G CA 1.049 46.188 45.100 0.065 0.000 0.763 275 G HN 0.274 nan 8.290 nan 0.000 0.554 276 V N 0.331 120.250 119.914 0.008 0.000 2.358 276 V HA -0.113 4.030 4.120 0.039 0.000 0.246 276 V C 2.766 178.861 176.094 0.001 0.000 1.047 276 V CA 2.026 64.298 62.300 -0.047 0.000 1.035 276 V CB -0.430 31.267 31.823 -0.210 0.000 0.658 276 V HN 0.364 nan 8.190 nan 0.000 0.452 277 R N 0.189 120.686 120.500 -0.004 0.000 2.096 277 R HA -0.073 4.290 4.340 0.039 0.000 0.235 277 R C 1.829 178.170 176.300 0.069 0.000 1.127 277 R CA 1.156 57.282 56.100 0.042 0.000 0.968 277 R CB 0.024 30.394 30.300 0.117 0.000 0.861 277 R HN 0.374 nan 8.270 nan 0.000 0.440 278 R N -0.228 120.315 120.500 0.072 0.000 2.515 278 R HA 0.018 4.381 4.340 0.039 0.000 0.294 278 R C 1.079 177.399 176.300 0.033 0.000 1.021 278 R CA -0.174 55.951 56.100 0.043 0.000 1.081 278 R CB -0.044 30.268 30.300 0.021 0.000 1.263 278 R HN 0.207 nan 8.270 nan 0.000 0.557 279 F N 2.761 122.685 119.950 -0.044 0.000 2.091 279 F HA -0.270 4.279 4.527 0.038 0.000 0.299 279 F C 1.490 177.262 175.800 -0.046 0.000 1.103 279 F CA 1.853 59.820 58.000 -0.054 0.000 1.228 279 F CB 0.103 39.063 39.000 -0.067 0.000 0.984 279 F HN -0.008 nan 8.300 nan 0.000 0.477 280 D N 0.319 120.628 120.400 -0.152 0.000 2.106 280 D HA -0.259 4.404 4.640 0.039 0.000 0.191 280 D C 2.209 178.350 176.300 -0.265 0.000 0.997 280 D CA 1.974 55.839 54.000 -0.224 0.000 0.834 280 D CB -0.664 40.112 40.800 -0.040 0.000 0.956 280 D HN 0.709 nan 8.370 nan 0.000 0.448 281 E N 0.406 120.503 120.200 -0.171 0.000 2.150 281 E HA -0.124 4.249 4.350 0.039 0.000 0.193 281 E C 2.240 178.720 176.600 -0.201 0.000 0.985 281 E CA 0.666 56.981 56.400 -0.140 0.000 0.814 281 E CB -0.400 29.253 29.700 -0.079 0.000 0.752 281 E HN 0.293 nan 8.360 nan 0.000 0.466 282 I N 0.618 121.026 120.570 -0.271 0.000 2.286 282 I HA -0.190 4.003 4.170 0.039 0.000 0.245 282 I C 2.443 178.354 176.117 -0.344 0.000 1.104 282 I CA 0.464 61.596 61.300 -0.280 0.000 1.397 282 I CB -0.147 37.708 38.000 -0.242 0.000 1.072 282 I HN 0.176 nan 8.210 nan 0.000 0.417 283 L N 0.750 121.637 121.223 -0.560 0.000 2.046 283 L HA -0.199 4.165 4.340 0.039 0.000 0.208 283 L C 2.423 179.145 176.870 -0.246 0.000 1.077 283 L CA 1.917 56.465 54.840 -0.487 0.000 0.747 283 L CB -0.786 40.851 42.059 -0.704 0.000 0.896 283 L HN 0.169 nan 8.230 nan 0.000 0.432 284 E N -0.074 120.002 120.200 -0.206 0.000 2.077 284 E HA -0.170 4.203 4.350 0.039 0.000 0.193 284 E C 2.010 178.573 176.600 -0.062 0.000 0.989 284 E CA 1.324 57.663 56.400 -0.102 0.000 0.800 284 E CB -0.073 29.585 29.700 -0.071 0.000 0.746 284 E HN 0.606 nan 8.360 nan 0.000 0.452 285 A N 0.284 123.049 122.820 -0.092 0.000 2.119 285 A HA 0.041 4.384 4.320 0.039 0.000 0.216 285 A C 1.374 178.922 177.584 -0.060 0.000 1.152 285 A CA 0.363 52.363 52.037 -0.061 0.000 0.708 285 A CB 0.113 18.962 19.000 -0.252 0.000 0.805 285 A HN 0.130 nan 8.150 nan 0.000 0.460 286 S N -0.312 115.335 115.700 -0.089 0.000 2.730 286 S HA 0.343 4.836 4.470 0.039 0.000 0.284 286 S C -0.014 174.567 174.600 -0.031 0.000 1.153 286 S CA -0.537 57.627 58.200 -0.060 0.000 0.995 286 S CB 0.951 64.102 63.200 -0.083 0.000 1.058 286 S HN 0.364 nan 8.310 nan 0.000 0.552 287 D N 0.099 120.491 120.400 -0.014 0.000 2.355 287 D HA 0.275 4.939 4.640 0.039 0.000 0.206 287 D C 0.761 177.038 176.300 -0.038 0.000 1.010 287 D CA 0.527 54.527 54.000 -0.001 0.000 0.875 287 D CB 0.528 41.342 40.800 0.024 0.000 0.966 287 D HN 0.624 nan 8.370 nan 0.000 0.512 288 G N -0.054 108.717 108.800 -0.049 0.000 2.550 288 G HA2 0.498 4.481 3.960 0.039 0.000 0.293 288 G HA3 0.498 4.481 3.960 0.039 0.000 0.293 288 G C -1.768 173.097 174.900 -0.058 0.000 1.402 288 G CA -0.502 44.552 45.100 -0.077 0.000 0.784 288 G HN -0.093 nan 8.290 nan 0.000 0.482 289 I N 0.453 120.988 120.570 -0.059 0.000 2.769 289 I HA 0.545 4.738 4.170 0.039 0.000 0.298 289 I C -0.540 175.509 176.117 -0.113 0.000 1.128 289 I CA -0.711 60.571 61.300 -0.030 0.000 1.031 289 I CB 2.100 40.177 38.000 0.129 0.000 1.235 289 I HN 0.637 nan 8.210 nan 0.000 0.423 290 M N 5.508 125.017 119.600 -0.152 0.000 2.253 290 M HA 0.458 4.961 4.480 0.039 0.000 0.314 290 M C -1.520 174.677 176.300 -0.172 0.000 1.019 290 M CA -0.687 54.474 55.300 -0.232 0.000 0.932 290 M CB 1.758 34.125 32.600 -0.388 0.000 1.606 290 M HN 0.264 nan 8.290 nan 0.000 0.430 291 V N 5.223 125.041 119.914 -0.160 0.000 2.313 291 V HA 0.267 4.411 4.120 0.039 0.000 0.252 291 V C 0.672 176.679 176.094 -0.145 0.000 1.112 291 V CA -0.327 61.885 62.300 -0.146 0.000 0.984 291 V CB 0.113 31.853 31.823 -0.138 0.000 1.157 291 V HN 0.884 nan 8.190 nan 0.000 0.493 292 A N 5.401 128.126 122.820 -0.158 0.000 3.037 292 A HA 0.276 4.619 4.320 0.039 0.000 0.272 292 A C 1.545 179.054 177.584 -0.125 0.000 1.723 292 A CA -0.367 51.575 52.037 -0.158 0.000 1.413 292 A CB -0.479 18.391 19.000 -0.216 0.000 1.112 292 A HN 0.867 nan 8.150 nan 0.000 0.606 293 R N 0.977 121.419 120.500 -0.096 0.000 2.211 293 R HA -0.160 4.203 4.340 0.039 0.000 0.240 293 R C 2.178 178.445 176.300 -0.056 0.000 1.144 293 R CA 1.422 57.479 56.100 -0.072 0.000 0.992 293 R CB -0.269 30.000 30.300 -0.051 0.000 0.869 293 R HN 0.657 nan 8.270 nan 0.000 0.462 294 G N 1.381 110.149 108.800 -0.053 0.000 2.604 294 G HA2 -0.283 3.700 3.960 0.039 0.000 0.216 294 G HA3 -0.283 3.700 3.960 0.039 0.000 0.216 294 G C 0.965 175.851 174.900 -0.023 0.000 1.265 294 G CA 1.180 46.263 45.100 -0.028 0.000 0.804 294 G HN 0.224 nan 8.290 nan 0.000 0.579 295 D N 0.040 120.419 120.400 -0.035 0.000 2.183 295 D HA -0.055 4.608 4.640 0.039 0.000 0.203 295 D C 2.456 178.750 176.300 -0.010 0.000 0.969 295 D CA 0.435 54.443 54.000 0.014 0.000 0.842 295 D CB -0.057 40.778 40.800 0.059 0.000 0.957 295 D HN 0.171 nan 8.370 nan 0.000 0.484 296 L N 1.263 122.454 121.223 -0.053 0.000 2.079 296 L HA -0.036 4.327 4.340 0.039 0.000 0.210 296 L C 2.148 178.982 176.870 -0.059 0.000 1.081 296 L CA 1.790 56.595 54.840 -0.059 0.000 0.752 296 L CB -0.904 41.102 42.059 -0.089 0.000 0.896 296 L HN -0.009 nan 8.230 nan 0.000 0.433 297 G N -1.291 107.475 108.800 -0.056 0.000 2.679 297 G HA2 -0.060 3.923 3.960 0.039 0.000 0.212 297 G HA3 -0.060 3.923 3.960 0.039 0.000 0.212 297 G C 1.435 176.281 174.900 -0.090 0.000 1.137 297 G CA 0.786 45.851 45.100 -0.058 0.000 0.787 297 G HN 0.494 nan 8.290 nan 0.000 0.534 298 I N -0.838 119.671 120.570 -0.102 0.000 3.300 298 I HA 0.104 4.297 4.170 0.039 0.000 0.279 298 I C 2.233 178.224 176.117 -0.210 0.000 1.172 298 I CA 0.060 61.240 61.300 -0.200 0.000 1.431 298 I CB 0.070 37.994 38.000 -0.128 0.000 1.240 298 I HN -0.049 nan 8.210 nan 0.000 0.453 299 E N 1.853 122.005 120.200 -0.080 0.000 2.118 299 E HA -0.069 4.304 4.350 0.039 0.000 0.195 299 E C 0.720 177.308 176.600 -0.019 0.000 0.992 299 E CA 1.078 57.464 56.400 -0.023 0.000 0.804 299 E CB -0.003 29.724 29.700 0.045 0.000 0.741 299 E HN 0.562 nan 8.360 nan 0.000 0.458 300 I N -3.307 117.240 120.570 -0.037 0.000 2.934 300 I HA 0.464 4.657 4.170 0.039 0.000 0.306 300 I C -2.744 173.341 176.117 -0.052 0.000 1.110 300 I CA -3.072 58.221 61.300 -0.012 0.000 1.019 300 I CB 2.243 40.237 38.000 -0.009 0.000 1.227 300 I HN -0.367 nan 8.210 nan 0.000 0.434 301 P HA -0.025 nan 4.420 nan 0.000 0.263 301 P C 0.419 177.703 177.300 -0.027 0.000 1.175 301 P CA 0.440 63.524 63.100 -0.028 0.000 0.761 301 P CB 0.829 32.529 31.700 0.000 0.000 0.794 302 A N 4.372 127.179 122.820 -0.021 0.000 1.908 302 A HA -0.244 4.099 4.320 0.039 0.000 0.218 302 A C 1.656 179.264 177.584 0.041 0.000 1.181 302 A CA 1.833 53.868 52.037 -0.002 0.000 0.627 302 A CB -1.095 17.907 19.000 0.003 0.000 0.818 302 A HN 0.618 nan 8.150 nan 0.000 0.445 303 E N 0.372 120.607 120.200 0.059 0.000 2.396 303 E HA -0.135 4.239 4.350 0.039 0.000 0.200 303 E C 1.454 178.164 176.600 0.182 0.000 1.023 303 E CA 1.386 57.863 56.400 0.128 0.000 0.857 303 E CB -0.217 29.546 29.700 0.105 0.000 0.775 303 E HN 0.695 nan 8.360 nan 0.000 0.525 304 K N -0.017 120.404 120.400 0.034 0.000 2.353 304 K HA 0.141 4.484 4.320 0.039 0.000 0.195 304 K C 1.573 178.045 176.600 -0.213 0.000 1.031 304 K CA 0.055 56.266 56.287 -0.126 0.000 1.079 304 K CB 0.513 32.937 32.500 -0.126 0.000 0.857 304 K HN -0.048 nan 8.250 nan 0.000 0.535 305 V N 2.066 121.936 119.914 -0.073 0.000 2.324 305 V HA -0.311 3.833 4.120 0.039 0.000 0.250 305 V C 2.108 178.141 176.094 -0.102 0.000 1.060 305 V CA 2.172 64.423 62.300 -0.082 0.000 1.042 305 V CB -0.710 31.103 31.823 -0.017 0.000 0.650 305 V HN 0.387 nan 8.190 nan 0.000 0.450 306 F N 0.102 120.010 119.950 -0.070 0.000 2.202 306 F HA -0.157 4.392 4.527 0.036 0.000 0.301 306 F C 1.924 177.675 175.800 -0.081 0.000 1.082 306 F CA 1.545 59.504 58.000 -0.069 0.000 1.313 306 F CB -0.949 38.019 39.000 -0.054 0.000 1.024 306 F HN 0.092 nan 8.300 nan 0.000 0.495 307 L N 0.905 121.463 121.223 -1.107 0.000 2.005 307 L HA -0.115 4.248 4.340 0.039 0.000 0.207 307 L C 3.079 179.700 176.870 -0.416 0.000 1.072 307 L CA 1.269 55.609 54.840 -0.833 0.000 0.744 307 L CB -1.329 40.260 42.059 -0.783 0.000 0.895 307 L HN 0.328 nan 8.230 nan 0.000 0.433 308 A N -0.480 122.126 122.820 -0.356 0.000 1.908 308 A HA -0.308 4.035 4.320 0.039 0.000 0.218 308 A C 2.256 179.676 177.584 -0.273 0.000 1.181 308 A CA 2.080 53.940 52.037 -0.296 0.000 0.627 308 A CB -0.679 18.166 19.000 -0.258 0.000 0.818 308 A HN 0.524 nan 8.150 nan 0.000 0.445 309 Q N -0.208 119.469 119.800 -0.205 0.000 1.975 309 Q HA -0.252 4.111 4.340 0.039 0.000 0.205 309 Q C 2.050 177.958 176.000 -0.154 0.000 0.990 309 Q CA 2.200 57.909 55.803 -0.155 0.000 0.845 309 Q CB -0.203 28.490 28.738 -0.075 0.000 0.913 309 Q HN 0.666 nan 8.270 nan 0.000 0.420 310 K N -0.011 120.322 120.400 -0.112 0.000 2.074 310 K HA -0.190 4.154 4.320 0.039 0.000 0.209 310 K C 2.197 178.718 176.600 -0.133 0.000 1.048 310 K CA 1.648 57.883 56.287 -0.085 0.000 0.926 310 K CB -0.281 32.201 32.500 -0.029 0.000 0.713 310 K HN 0.381 nan 8.250 nan 0.000 0.444 311 M N 1.122 120.607 119.600 -0.192 0.000 2.086 311 M HA -0.167 4.337 4.480 0.039 0.000 0.261 311 M C 1.993 178.113 176.300 -0.301 0.000 1.067 311 M CA 1.744 56.913 55.300 -0.218 0.000 1.116 311 M CB -0.240 32.211 32.600 -0.248 0.000 1.348 311 M HN 0.137 nan 8.290 nan 0.000 0.407 312 I N 0.407 120.717 120.570 -0.433 0.000 2.142 312 I HA -0.352 3.841 4.170 0.039 0.000 0.240 312 I C 2.420 178.370 176.117 -0.280 0.000 1.078 312 I CA 1.343 62.271 61.300 -0.621 0.000 1.343 312 I CB -0.478 37.140 38.000 -0.638 0.000 1.046 312 I HN 0.298 nan 8.210 nan 0.000 0.405 313 I N 0.760 121.221 120.570 -0.181 0.000 2.208 313 I HA -0.245 3.948 4.170 0.039 0.000 0.245 313 I C 2.669 178.751 176.117 -0.059 0.000 1.097 313 I CA 1.667 62.911 61.300 -0.093 0.000 1.363 313 I CB -0.969 36.988 38.000 -0.071 0.000 1.051 313 I HN 0.304 nan 8.210 nan 0.000 0.413 314 G N 0.756 109.514 108.800 -0.071 0.000 2.433 314 G HA2 -0.221 3.763 3.960 0.039 0.000 0.216 314 G HA3 -0.221 3.763 3.960 0.039 0.000 0.216 314 G C 1.807 176.697 174.900 -0.016 0.000 1.186 314 G CA 0.409 45.485 45.100 -0.040 0.000 0.779 314 G HN 0.289 nan 8.290 nan 0.000 0.543 315 R N -0.608 119.887 120.500 -0.008 0.000 2.096 315 R HA -0.044 4.319 4.340 0.039 0.000 0.235 315 R C 2.664 179.027 176.300 0.106 0.000 1.127 315 R CA 1.170 57.316 56.100 0.078 0.000 0.968 315 R CB -0.691 29.728 30.300 0.199 0.000 0.861 315 R HN 0.382 nan 8.270 nan 0.000 0.440 316 C N 0.663 120.028 119.300 0.107 0.000 2.425 316 C HA -0.052 4.431 4.460 0.039 0.000 0.277 316 C C 2.228 177.229 174.990 0.018 0.000 1.280 316 C CA 0.685 59.753 59.018 0.083 0.000 1.744 316 C CB -1.208 26.572 27.740 0.067 0.000 1.989 316 C HN 0.567 nan 8.230 nan 0.000 0.491 317 N N 0.135 118.835 118.700 0.000 0.000 2.084 317 N HA -0.180 4.583 4.740 0.039 0.000 0.190 317 N C 2.098 177.582 175.510 -0.043 0.000 1.030 317 N CA 0.851 53.888 53.050 -0.022 0.000 0.849 317 N CB -0.294 38.185 38.487 -0.014 0.000 1.012 317 N HN 0.504 nan 8.380 nan 0.000 0.423 318 R N 1.241 121.728 120.500 -0.022 0.000 2.096 318 R HA -0.063 4.300 4.340 0.039 0.000 0.235 318 R C 1.854 178.136 176.300 -0.029 0.000 1.127 318 R CA 1.381 57.465 56.100 -0.027 0.000 0.968 318 R CB -0.110 30.188 30.300 -0.003 0.000 0.861 318 R HN 0.172 nan 8.270 nan 0.000 0.440 319 A N -0.513 122.302 122.820 -0.008 0.000 2.072 319 A HA 0.173 4.516 4.320 0.039 0.000 0.216 319 A C 1.465 179.039 177.584 -0.017 0.000 1.156 319 A CA 0.993 53.027 52.037 -0.005 0.000 0.701 319 A CB -0.088 18.917 19.000 0.008 0.000 0.816 319 A HN 0.565 nan 8.150 nan 0.000 0.458 320 G N -0.816 107.965 108.800 -0.031 0.000 2.132 320 G HA2 -0.224 3.759 3.960 0.039 0.000 0.234 320 G HA3 -0.224 3.759 3.960 0.039 0.000 0.234 320 G C 0.023 174.952 174.900 0.048 0.000 0.989 320 G CA 0.449 45.536 45.100 -0.020 0.000 0.676 320 G HN 0.579 nan 8.290 nan 0.000 0.522 321 K N 0.593 121.001 120.400 0.012 0.000 2.164 321 K HA 0.508 4.851 4.320 0.039 0.000 0.258 321 K C -2.654 173.882 176.600 -0.108 0.000 0.951 321 K CA -2.172 54.102 56.287 -0.021 0.000 0.844 321 K CB 1.865 34.351 32.500 -0.024 0.000 1.099 321 K HN -0.044 nan 8.250 nan 0.000 0.435 322 P HA -0.031 nan 4.420 nan 0.000 0.266 322 P C -1.002 176.190 177.300 -0.180 0.000 1.195 322 P CA -0.250 62.646 63.100 -0.341 0.000 0.768 322 P CB 0.628 31.962 31.700 -0.609 0.000 0.838 323 V N 5.138 124.971 119.914 -0.136 0.000 2.709 323 V HA 0.528 4.671 4.120 0.039 0.000 0.308 323 V C -0.853 175.172 176.094 -0.116 0.000 1.062 323 V CA -0.848 61.392 62.300 -0.101 0.000 0.901 323 V CB 1.418 33.205 31.823 -0.060 0.000 1.003 323 V HN 0.303 nan 8.190 nan 0.000 0.425 324 I N 5.946 126.429 120.570 -0.144 0.000 2.493 324 I HA 0.500 4.693 4.170 0.039 0.000 0.298 324 I C -0.324 175.711 176.117 -0.138 0.000 0.998 324 I CA -0.478 60.731 61.300 -0.152 0.000 1.137 324 I CB 1.765 39.622 38.000 -0.238 0.000 1.310 324 I HN 0.660 nan 8.210 nan 0.000 0.445 325 C N 5.946 125.185 119.300 -0.102 0.000 2.329 325 C HA 0.930 5.414 4.460 0.039 0.000 0.329 325 C C 0.220 175.161 174.990 -0.082 0.000 1.275 325 C CA 0.043 59.010 59.018 -0.086 0.000 1.726 325 C CB -0.132 27.574 27.740 -0.056 0.000 2.291 325 C HN 0.930 nan 8.230 nan 0.000 0.514 326 A N 3.805 126.574 122.820 -0.084 0.000 2.583 326 A HA 0.929 5.272 4.320 0.039 0.000 0.289 326 A C -0.138 177.419 177.584 -0.046 0.000 1.151 326 A CA -0.055 51.942 52.037 -0.066 0.000 0.695 326 A CB 0.741 19.684 19.000 -0.095 0.000 1.290 326 A HN 1.620 nan 8.150 nan 0.000 0.419 327 T N 1.269 115.808 114.554 -0.024 0.000 0.732 327 T HA -0.086 4.287 4.350 0.039 0.000 0.754 327 T C 0.103 174.803 174.700 -0.001 0.000 0.989 327 T CA 1.058 63.152 62.100 -0.009 0.000 3.981 327 T CB -1.421 67.434 68.868 -0.021 0.000 2.250 327 T HN 1.551 nan 8.240 nan 0.000 0.392 328 Q N -0.224 119.583 119.800 0.012 0.000 2.460 328 Q HA -0.272 4.092 4.340 0.039 0.000 0.248 328 Q C 1.551 177.558 176.000 0.012 0.000 0.847 328 Q CA 1.571 57.383 55.803 0.015 0.000 1.214 328 Q CB -1.332 27.414 28.738 0.013 0.000 1.523 328 Q HN 0.858 nan 8.270 nan 0.000 0.602 329 M N -0.617 118.989 119.600 0.010 0.000 2.080 329 M HA -0.160 4.344 4.480 0.039 0.000 0.260 329 M C 0.928 177.235 176.300 0.012 0.000 1.068 329 M CA 1.478 56.783 55.300 0.008 0.000 1.109 329 M CB 0.005 32.608 32.600 0.006 0.000 1.342 329 M HN 0.128 nan 8.290 nan 0.000 0.405 330 L N -0.421 120.814 121.223 0.019 0.000 3.218 330 L HA 0.175 4.538 4.340 0.039 0.000 0.279 330 L C 1.274 178.162 176.870 0.029 0.000 1.287 330 L CA 0.263 55.116 54.840 0.022 0.000 1.024 330 L CB -0.206 41.870 42.059 0.028 0.000 1.409 330 L HN 0.067 nan 8.230 nan 0.000 0.580 331 E N 1.009 121.226 120.200 0.027 0.000 2.095 331 E HA -0.323 4.050 4.350 0.039 0.000 0.212 331 E C 2.238 178.861 176.600 0.038 0.000 1.044 331 E CA 2.301 58.721 56.400 0.032 0.000 0.857 331 E CB 0.016 29.732 29.700 0.027 0.000 0.764 331 E HN 0.484 nan 8.360 nan 0.000 0.462 332 S N -0.570 115.148 115.700 0.029 0.000 2.440 332 S HA -0.197 4.297 4.470 0.039 0.000 0.238 332 S C 1.880 176.507 174.600 0.044 0.000 1.010 332 S CA 1.471 59.689 58.200 0.030 0.000 0.972 332 S CB -0.439 62.770 63.200 0.015 0.000 0.774 332 S HN 0.362 nan 8.310 nan 0.000 0.501 333 M N 0.631 120.260 119.600 0.049 0.000 2.686 333 M HA 0.204 4.707 4.480 0.039 0.000 0.246 333 M C 1.315 177.714 176.300 0.166 0.000 1.096 333 M CA 0.552 55.898 55.300 0.077 0.000 1.076 333 M CB -0.514 32.121 32.600 0.058 0.000 1.504 333 M HN 0.387 nan 8.290 nan 0.000 0.524 334 I N 0.042 120.686 120.570 0.123 0.000 2.546 334 I HA -0.222 3.971 4.170 0.039 0.000 0.255 334 I C 1.849 178.057 176.117 0.151 0.000 1.163 334 I CA 1.006 62.376 61.300 0.117 0.000 1.457 334 I CB -0.203 37.838 38.000 0.069 0.000 1.092 334 I HN 0.225 nan 8.210 nan 0.000 0.434 335 K N 0.426 120.928 120.400 0.171 0.000 2.440 335 K HA 0.319 4.663 4.320 0.039 0.000 0.207 335 K C 0.023 176.800 176.600 0.294 0.000 1.112 335 K CA 0.228 56.631 56.287 0.193 0.000 1.036 335 K CB 0.935 33.495 32.500 0.101 0.000 0.935 335 K HN 0.202 nan 8.250 nan 0.000 0.564 336 K N 1.154 121.672 120.400 0.197 0.000 2.375 336 K HA 0.256 4.599 4.320 0.039 0.000 0.249 336 K C -2.132 174.162 176.600 -0.510 0.000 0.942 336 K CA -1.905 54.342 56.287 -0.067 0.000 0.806 336 K CB 2.537 35.004 32.500 -0.055 0.000 1.227 336 K HN -0.307 nan 8.250 nan 0.000 0.430 337 P HA -0.099 nan 4.420 nan 0.000 0.225 337 P C -0.434 176.642 177.300 -0.374 0.000 1.156 337 P CA 0.922 63.431 63.100 -0.984 0.000 0.787 337 P CB 0.554 31.774 31.700 -0.801 0.000 0.802 338 R N 0.510 120.867 120.500 -0.239 0.000 2.686 338 R HA 0.466 4.829 4.340 0.039 0.000 0.286 338 R C -2.452 173.800 176.300 -0.080 0.000 0.969 338 R CA -2.278 53.748 56.100 -0.123 0.000 0.898 338 R CB 1.641 31.885 30.300 -0.095 0.000 1.183 338 R HN 0.043 nan 8.270 nan 0.000 0.456 339 P HA 0.037 nan 4.420 nan 0.000 0.274 339 P C -0.224 177.063 177.300 -0.023 0.000 1.256 339 P CA -0.267 62.818 63.100 -0.025 0.000 0.795 339 P CB 0.634 32.326 31.700 -0.012 0.000 1.038 340 T N -1.322 113.223 114.554 -0.014 0.000 2.874 340 T HA 0.236 4.609 4.350 0.039 0.000 0.281 340 T C 1.469 176.161 174.700 -0.014 0.000 0.994 340 T CA -0.748 61.344 62.100 -0.014 0.000 1.015 340 T CB 0.606 69.469 68.868 -0.009 0.000 1.028 340 T HN 0.185 nan 8.240 nan 0.000 0.523 341 R N 1.118 121.609 120.500 -0.015 0.000 2.120 341 R HA -0.022 4.342 4.340 0.039 0.000 0.234 341 R C 2.541 178.831 176.300 -0.017 0.000 1.123 341 R CA 1.465 57.555 56.100 -0.016 0.000 0.975 341 R CB -1.690 28.599 30.300 -0.018 0.000 0.866 341 R HN 0.859 nan 8.270 nan 0.000 0.446 342 A N 1.366 124.177 122.820 -0.016 0.000 1.929 342 A HA -0.128 4.215 4.320 0.039 0.000 0.216 342 A C 1.971 179.547 177.584 -0.014 0.000 1.176 342 A CA 1.085 53.111 52.037 -0.018 0.000 0.628 342 A CB -0.207 18.783 19.000 -0.016 0.000 0.816 342 A HN 0.357 nan 8.150 nan 0.000 0.444 343 E N -0.485 119.710 120.200 -0.009 0.000 2.152 343 E HA -0.069 4.305 4.350 0.039 0.000 0.192 343 E C 2.062 178.660 176.600 -0.005 0.000 0.983 343 E CA 0.653 57.050 56.400 -0.004 0.000 0.818 343 E CB -0.299 29.400 29.700 -0.000 0.000 0.758 343 E HN 0.594 nan 8.360 nan 0.000 0.467 344 G N 0.933 109.728 108.800 -0.008 0.000 2.402 344 G HA2 -0.284 3.699 3.960 0.039 0.000 0.216 344 G HA3 -0.284 3.699 3.960 0.039 0.000 0.216 344 G C 1.637 176.531 174.900 -0.009 0.000 1.162 344 G CA 0.855 45.950 45.100 -0.008 0.000 0.777 344 G HN 0.276 nan 8.290 nan 0.000 0.539 345 S N 0.430 116.122 115.700 -0.013 0.000 2.368 345 S HA -0.165 4.329 4.470 0.039 0.000 0.225 345 S C 2.067 176.659 174.600 -0.013 0.000 1.030 345 S CA 1.960 60.150 58.200 -0.016 0.000 0.999 345 S CB -0.423 62.763 63.200 -0.023 0.000 0.844 345 S HN 0.402 nan 8.310 nan 0.000 0.459 346 D N 0.239 120.632 120.400 -0.012 0.000 2.117 346 D HA -0.085 4.579 4.640 0.039 0.000 0.197 346 D C 1.851 178.149 176.300 -0.004 0.000 0.987 346 D CA 1.407 55.402 54.000 -0.008 0.000 0.829 346 D CB -0.238 40.558 40.800 -0.006 0.000 0.961 346 D HN 0.312 nan 8.370 nan 0.000 0.460 347 V N 0.646 120.559 119.914 -0.002 0.000 2.307 347 V HA -0.179 3.964 4.120 0.039 0.000 0.245 347 V C 2.591 178.686 176.094 0.001 0.000 1.045 347 V CA 1.688 63.989 62.300 0.001 0.000 1.024 347 V CB -0.970 30.855 31.823 0.004 0.000 0.651 347 V HN 0.339 nan 8.190 nan 0.000 0.449 348 A N 0.492 123.312 122.820 -0.001 0.000 1.892 348 A HA -0.270 4.073 4.320 0.039 0.000 0.218 348 A C 2.068 179.656 177.584 0.007 0.000 1.188 348 A CA 2.227 54.265 52.037 0.001 0.000 0.631 348 A CB -0.740 18.258 19.000 -0.004 0.000 0.822 348 A HN 0.601 nan 8.150 nan 0.000 0.447 349 N N 0.069 118.772 118.700 0.004 0.000 2.309 349 N HA -0.063 4.700 4.740 0.039 0.000 0.182 349 N C 1.851 177.368 175.510 0.012 0.000 1.018 349 N CA 1.232 54.288 53.050 0.010 0.000 0.876 349 N CB -0.370 38.118 38.487 0.002 0.000 0.972 349 N HN 0.510 nan 8.380 nan 0.000 0.434 350 A N 0.743 123.566 122.820 0.005 0.000 1.898 350 A HA -0.055 4.289 4.320 0.039 0.000 0.216 350 A C 2.492 180.079 177.584 0.005 0.000 1.181 350 A CA 1.108 53.145 52.037 0.000 0.000 0.620 350 A CB -0.619 18.377 19.000 -0.006 0.000 0.819 350 A HN 0.086 nan 8.150 nan 0.000 0.442 351 V N 0.197 120.117 119.914 0.010 0.000 2.307 351 V HA -0.222 3.922 4.120 0.039 0.000 0.245 351 V C 2.539 178.648 176.094 0.025 0.000 1.045 351 V CA 1.796 64.107 62.300 0.018 0.000 1.024 351 V CB -0.833 31.002 31.823 0.020 0.000 0.651 351 V HN 0.548 nan 8.190 nan 0.000 0.449 352 L N -0.168 121.072 121.223 0.028 0.000 2.083 352 L HA -0.183 4.180 4.340 0.039 0.000 0.209 352 L C 2.342 179.239 176.870 0.045 0.000 1.083 352 L CA 1.422 56.287 54.840 0.042 0.000 0.752 352 L CB -0.761 41.330 42.059 0.053 0.000 0.899 352 L HN 0.338 nan 8.230 nan 0.000 0.433 353 D N 0.105 120.524 120.400 0.032 0.000 2.218 353 D HA -0.106 4.557 4.640 0.039 0.000 0.204 353 D C 1.655 177.966 176.300 0.019 0.000 0.976 353 D CA 1.540 55.555 54.000 0.025 0.000 0.853 353 D CB 0.092 40.897 40.800 0.009 0.000 0.939 353 D HN 0.476 nan 8.370 nan 0.000 0.481 354 G N -0.477 108.334 108.800 0.018 0.000 2.159 354 G HA2 -0.083 3.900 3.960 0.039 0.000 0.170 354 G HA3 -0.083 3.900 3.960 0.039 0.000 0.170 354 G C 0.376 175.279 174.900 0.005 0.000 1.007 354 G CA 0.107 45.218 45.100 0.018 0.000 0.672 354 G HN 0.551 nan 8.290 nan 0.000 0.507 355 A N 0.362 123.178 122.820 -0.006 0.000 2.511 355 A HA 0.478 4.822 4.320 0.039 0.000 0.242 355 A C 1.247 178.824 177.584 -0.011 0.000 1.069 355 A CA 0.975 53.000 52.037 -0.021 0.000 0.763 355 A CB 0.240 19.223 19.000 -0.029 0.000 1.001 355 A HN 0.292 nan 8.150 nan 0.000 0.498 356 D N 0.590 120.972 120.400 -0.030 0.000 2.149 356 D HA -0.022 4.642 4.640 0.039 0.000 0.201 356 D C 0.132 176.427 176.300 -0.009 0.000 0.972 356 D CA 1.312 55.299 54.000 -0.021 0.000 0.835 356 D CB 0.135 40.889 40.800 -0.078 0.000 0.966 356 D HN 0.561 nan 8.370 nan 0.000 0.476 357 C N 0.574 119.855 119.300 -0.031 0.000 2.802 357 C HA 0.601 5.084 4.460 0.039 0.000 0.307 357 C C -0.090 174.884 174.990 -0.026 0.000 1.222 357 C CA -1.072 57.937 59.018 -0.016 0.000 1.580 357 C CB 1.902 29.630 27.740 -0.020 0.000 2.119 357 C HN 0.163 nan 8.230 nan 0.000 0.479 358 I N 0.340 120.905 120.570 -0.008 0.000 2.693 358 I HA 0.783 4.977 4.170 0.039 0.000 0.303 358 I C -0.701 175.413 176.117 -0.005 0.000 1.025 358 I CA -0.742 60.552 61.300 -0.011 0.000 1.086 358 I CB 1.660 39.662 38.000 0.003 0.000 1.268 358 I HN 0.711 nan 8.210 nan 0.000 0.440 359 M N 4.813 124.407 119.600 -0.009 0.000 2.662 359 M HA 0.645 5.148 4.480 0.039 0.000 0.310 359 M C -2.065 174.248 176.300 0.021 0.000 1.204 359 M CA -0.817 54.488 55.300 0.008 0.000 0.891 359 M CB 2.683 35.276 32.600 -0.013 0.000 1.732 359 M HN 0.660 nan 8.290 nan 0.000 0.467 360 L N 2.239 123.486 121.223 0.039 0.000 2.385 360 L HA 0.584 4.947 4.340 0.039 0.000 0.273 360 L C -0.973 175.932 176.870 0.058 0.000 0.990 360 L CA -0.514 54.353 54.840 0.044 0.000 0.821 360 L CB 2.331 44.419 42.059 0.047 0.000 1.279 360 L HN 0.850 nan 8.230 nan 0.000 0.412 361 S N 0.789 116.522 115.700 0.056 0.000 2.461 361 S HA 0.721 5.215 4.470 0.039 0.000 0.216 361 S C 0.150 174.789 174.600 0.065 0.000 1.201 361 S CA 0.046 58.288 58.200 0.070 0.000 1.171 361 S CB 1.498 64.742 63.200 0.073 0.000 1.169 361 S HN 1.070 nan 8.310 nan 0.000 0.456 362 G N 3.278 112.117 108.800 0.064 0.000 2.697 362 G HA2 -0.229 3.755 3.960 0.039 0.000 0.200 362 G HA3 -0.229 3.755 3.960 0.039 0.000 0.200 362 G C 0.584 175.516 174.900 0.053 0.000 1.106 362 G CA 0.171 45.305 45.100 0.056 0.000 0.748 362 G HN 0.563 nan 8.290 nan 0.000 0.503 363 E N 0.586 120.819 120.200 0.056 0.000 2.265 363 E HA 0.129 4.503 4.350 0.039 0.000 0.196 363 E C 2.229 178.867 176.600 0.064 0.000 0.996 363 E CA 1.773 58.212 56.400 0.064 0.000 0.832 363 E CB -0.059 29.678 29.700 0.062 0.000 0.756 363 E HN 0.501 nan 8.360 nan 0.000 0.491 364 T N -1.014 113.575 114.554 0.058 0.000 3.056 364 T HA 0.238 4.611 4.350 0.039 0.000 0.243 364 T C 1.771 176.503 174.700 0.053 0.000 0.995 364 T CA 0.363 62.496 62.100 0.055 0.000 1.091 364 T CB 0.080 68.982 68.868 0.056 0.000 0.990 364 T HN 0.195 nan 8.240 nan 0.000 0.464 365 A N 2.447 125.304 122.820 0.062 0.000 1.858 365 A HA -0.072 4.272 4.320 0.039 0.000 0.216 365 A C 1.681 179.294 177.584 0.050 0.000 1.190 365 A CA 2.007 54.085 52.037 0.068 0.000 0.617 365 A CB -0.206 18.843 19.000 0.082 0.000 0.827 365 A HN 0.528 nan 8.150 nan 0.000 0.443 366 K N -1.310 119.112 120.400 0.036 0.000 2.734 366 K HA 0.418 4.762 4.320 0.039 0.000 0.200 366 K C 0.298 176.901 176.600 0.004 0.000 1.120 366 K CA 0.364 56.661 56.287 0.016 0.000 1.067 366 K CB -0.474 32.031 32.500 0.008 0.000 0.771 366 K HN 0.307 nan 8.250 nan 0.000 0.481 367 G N -0.102 108.705 108.800 0.011 0.000 2.522 367 G HA2 0.216 4.199 3.960 0.039 0.000 0.304 367 G HA3 0.216 4.199 3.960 0.039 0.000 0.304 367 G C -0.361 174.502 174.900 -0.061 0.000 1.210 367 G CA -0.589 44.514 45.100 0.004 0.000 0.960 367 G HN 0.122 nan 8.290 nan 0.000 0.497 368 D N -1.034 119.283 120.400 -0.138 0.000 2.355 368 D HA 0.031 4.694 4.640 0.039 0.000 0.218 368 D C -0.216 175.643 176.300 -0.734 0.000 1.004 368 D CA 0.942 54.688 54.000 -0.423 0.000 0.880 368 D CB 0.322 40.782 40.800 -0.566 0.000 0.911 368 D HN 0.363 nan 8.370 nan 0.000 0.528 369 Y N -0.265 120.045 120.300 0.017 0.000 2.555 369 Y HA 0.195 4.768 4.550 0.039 0.000 0.317 369 Y C -1.604 174.308 175.900 0.020 0.000 0.928 369 Y CA -1.739 56.371 58.100 0.017 0.000 1.116 369 Y CB 1.007 39.477 38.460 0.016 0.000 1.169 369 Y HN -0.098 nan 8.280 nan 0.000 0.627 370 P HA -0.212 nan 4.420 nan 0.000 0.215 370 P C 1.455 178.801 177.300 0.076 0.000 1.157 370 P CA 1.363 64.505 63.100 0.070 0.000 0.874 370 P CB 0.710 32.433 31.700 0.037 0.000 0.790 371 L N 0.012 121.281 121.223 0.076 0.000 2.005 371 L HA -0.132 4.231 4.340 0.039 0.000 0.207 371 L C 2.628 179.545 176.870 0.078 0.000 1.072 371 L CA 1.909 56.789 54.840 0.066 0.000 0.744 371 L CB -1.860 40.235 42.059 0.060 0.000 0.895 371 L HN -0.116 nan 8.230 nan 0.000 0.433 372 E N -0.410 119.858 120.200 0.114 0.000 2.130 372 E HA -0.217 4.157 4.350 0.039 0.000 0.196 372 E C 2.276 178.920 176.600 0.073 0.000 0.998 372 E CA 1.424 57.878 56.400 0.091 0.000 0.806 372 E CB -0.507 29.252 29.700 0.099 0.000 0.738 372 E HN 0.475 nan 8.360 nan 0.000 0.459 373 A N 0.474 123.347 122.820 0.089 0.000 1.902 373 A HA -0.151 4.192 4.320 0.039 0.000 0.217 373 A C 2.473 180.094 177.584 0.062 0.000 1.181 373 A CA 1.764 53.844 52.037 0.071 0.000 0.623 373 A CB -0.875 18.173 19.000 0.080 0.000 0.818 373 A HN 0.269 nan 8.150 nan 0.000 0.443 374 V N -1.242 118.707 119.914 0.059 0.000 2.453 374 V HA -0.146 3.997 4.120 0.039 0.000 0.247 374 V C 2.140 178.280 176.094 0.076 0.000 1.048 374 V CA 1.928 64.261 62.300 0.055 0.000 1.049 374 V CB -0.841 31.001 31.823 0.031 0.000 0.672 374 V HN 0.528 nan 8.190 nan 0.000 0.457 375 R N -0.692 119.848 120.500 0.068 0.000 2.105 375 R HA -0.106 4.257 4.340 0.039 0.000 0.239 375 R C 2.259 178.632 176.300 0.121 0.000 1.135 375 R CA 2.041 58.195 56.100 0.090 0.000 0.967 375 R CB -0.527 29.810 30.300 0.062 0.000 0.861 375 R HN 0.537 nan 8.270 nan 0.000 0.442 376 M N 0.977 120.625 119.600 0.080 0.000 2.156 376 M HA -0.126 4.377 4.480 0.039 0.000 0.264 376 M C 1.883 178.219 176.300 0.060 0.000 1.067 376 M CA 1.725 57.060 55.300 0.058 0.000 1.131 376 M CB -0.100 32.521 32.600 0.034 0.000 1.368 376 M HN 0.022 nan 8.290 nan 0.000 0.416 377 Q N -1.474 118.368 119.800 0.070 0.000 2.084 377 Q HA -0.246 4.117 4.340 0.039 0.000 0.202 377 Q C 2.139 178.184 176.000 0.075 0.000 0.978 377 Q CA 1.937 57.776 55.803 0.060 0.000 0.844 377 Q CB -0.541 28.233 28.738 0.059 0.000 0.898 377 Q HN 0.711 nan 8.270 nan 0.000 0.426 378 H N 0.424 119.508 119.070 0.024 0.000 2.352 378 H HA -0.156 4.423 4.556 0.040 0.000 0.299 378 H C 1.739 177.086 175.328 0.032 0.000 1.097 378 H CA 1.448 57.515 56.048 0.031 0.000 1.311 378 H CB -0.018 29.764 29.762 0.032 0.000 1.377 378 H HN 0.074 nan 8.280 nan 0.000 0.504 379 L N 0.186 121.395 121.223 -0.023 0.000 2.005 379 L HA -0.100 4.263 4.340 0.039 0.000 0.207 379 L C 2.561 179.387 176.870 -0.075 0.000 1.072 379 L CA 1.546 56.344 54.840 -0.070 0.000 0.744 379 L CB -0.784 41.286 42.059 0.019 0.000 0.895 379 L HN 0.414 nan 8.230 nan 0.000 0.433 380 I N -0.971 119.580 120.570 -0.032 0.000 2.226 380 I HA -0.323 3.870 4.170 0.039 0.000 0.245 380 I C 2.590 178.687 176.117 -0.034 0.000 1.100 380 I CA 1.121 62.407 61.300 -0.024 0.000 1.374 380 I CB -0.666 37.330 38.000 -0.007 0.000 1.057 380 I HN 0.242 nan 8.210 nan 0.000 0.413 381 A N 1.259 124.053 122.820 -0.043 0.000 1.873 381 A HA -0.250 4.093 4.320 0.039 0.000 0.218 381 A C 2.441 179.997 177.584 -0.047 0.000 1.193 381 A CA 1.852 53.868 52.037 -0.034 0.000 0.629 381 A CB -0.694 18.291 19.000 -0.025 0.000 0.826 381 A HN 0.332 nan 8.150 nan 0.000 0.447 382 R N -1.077 119.357 120.500 -0.111 0.000 2.081 382 R HA -0.159 4.204 4.340 0.039 0.000 0.235 382 R C 2.270 178.549 176.300 -0.036 0.000 1.131 382 R CA 1.538 57.585 56.100 -0.088 0.000 0.960 382 R CB -0.309 29.897 30.300 -0.155 0.000 0.856 382 R HN 0.604 nan 8.270 nan 0.000 0.436 383 E N 0.745 120.922 120.200 -0.039 0.000 2.051 383 E HA -0.144 4.229 4.350 0.039 0.000 0.192 383 E C 1.822 178.424 176.600 0.003 0.000 0.991 383 E CA 1.745 58.135 56.400 -0.015 0.000 0.799 383 E CB -0.151 29.537 29.700 -0.021 0.000 0.748 383 E HN 0.345 nan 8.360 nan 0.000 0.449 384 A N 0.335 123.157 122.820 0.003 0.000 1.929 384 A HA -0.133 4.210 4.320 0.039 0.000 0.216 384 A C 1.981 179.588 177.584 0.038 0.000 1.176 384 A CA 1.427 53.474 52.037 0.017 0.000 0.628 384 A CB -0.487 18.520 19.000 0.012 0.000 0.816 384 A HN 0.285 nan 8.150 nan 0.000 0.444 385 E N -0.094 120.132 120.200 0.044 0.000 2.118 385 E HA -0.162 4.211 4.350 0.039 0.000 0.195 385 E C 2.148 178.833 176.600 0.142 0.000 0.992 385 E CA 1.098 57.547 56.400 0.082 0.000 0.804 385 E CB -0.245 29.501 29.700 0.076 0.000 0.741 385 E HN 0.640 nan 8.360 nan 0.000 0.458 386 A N 0.954 123.846 122.820 0.120 0.000 2.016 386 A HA 0.107 4.450 4.320 0.039 0.000 0.217 386 A C 2.195 179.877 177.584 0.163 0.000 1.162 386 A CA 1.057 53.193 52.037 0.166 0.000 0.662 386 A CB -0.153 18.904 19.000 0.094 0.000 0.812 386 A HN 0.246 nan 8.150 nan 0.000 0.450 387 A N -0.783 122.094 122.820 0.096 0.000 2.252 387 A HA 0.388 4.731 4.320 0.039 0.000 0.207 387 A C 1.003 178.696 177.584 0.181 0.000 1.194 387 A CA -0.059 52.027 52.037 0.081 0.000 0.809 387 A CB -0.585 18.423 19.000 0.013 0.000 0.814 387 A HN 0.554 nan 8.150 nan 0.000 0.482 388 M N -1.344 118.297 119.600 0.068 0.000 2.226 388 M HA 0.222 4.725 4.480 0.039 0.000 0.324 388 M C -0.110 176.097 176.300 -0.154 0.000 1.112 388 M CA 0.016 55.258 55.300 -0.097 0.000 1.176 388 M CB 0.387 32.739 32.600 -0.412 0.000 1.430 388 M HN 0.284 nan 8.290 nan 0.000 0.462 389 F N 2.302 121.945 119.950 -0.511 0.000 2.461 389 F HA 0.262 4.807 4.527 0.029 0.000 0.321 389 F C 1.151 176.680 175.800 -0.451 0.000 1.203 389 F CA -0.721 56.813 58.000 -0.777 0.000 1.238 389 F CB -0.821 37.519 39.000 -1.100 0.000 1.528 389 F HN 0.556 nan 8.300 nan 0.000 0.554 390 H N 0.594 119.597 119.070 -0.112 0.000 2.292 390 H HA -0.219 4.359 4.556 0.037 0.000 0.292 390 H C 2.327 177.435 175.328 -0.367 0.000 1.100 390 H CA 1.812 57.759 56.048 -0.167 0.000 1.238 390 H CB 0.051 29.701 29.762 -0.187 0.000 1.355 390 H HN 0.351 nan 8.280 nan 0.000 0.484 391 R N 1.435 121.673 120.500 -0.437 0.000 2.115 391 R HA -0.171 4.192 4.340 0.039 0.000 0.239 391 R C 2.327 178.360 176.300 -0.445 0.000 1.133 391 R CA 1.835 57.636 56.100 -0.499 0.000 0.935 391 R CB -0.328 29.669 30.300 -0.505 0.000 0.853 391 R HN 0.170 nan 8.270 nan 0.000 0.433 392 K N 0.364 120.248 120.400 -0.861 0.000 2.026 392 K HA -0.125 4.219 4.320 0.039 0.000 0.208 392 K C 2.075 178.548 176.600 -0.212 0.000 1.048 392 K CA 1.123 57.021 56.287 -0.648 0.000 0.929 392 K CB -0.707 31.123 32.500 -1.115 0.000 0.713 392 K HN 0.094 nan 8.250 nan 0.000 0.439 393 L N 0.143 121.273 121.223 -0.154 0.000 1.989 393 L HA -0.137 4.226 4.340 0.039 0.000 0.211 393 L C 2.017 178.960 176.870 0.121 0.000 1.071 393 L CA 1.788 56.647 54.840 0.030 0.000 0.749 393 L CB -0.883 41.207 42.059 0.052 0.000 0.890 393 L HN 0.274 nan 8.230 nan 0.000 0.431 394 F N 0.784 120.763 119.950 0.049 0.000 2.043 394 F HA -0.289 4.256 4.527 0.030 0.000 0.297 394 F C 2.394 178.250 175.800 0.094 0.000 1.121 394 F CA 2.335 60.430 58.000 0.158 0.000 1.199 394 F CB -0.452 38.699 39.000 0.252 0.000 0.968 394 F HN 0.274 nan 8.300 nan 0.000 0.478 395 E N -0.148 120.156 120.200 0.174 0.000 2.097 395 E HA -0.277 4.096 4.350 0.039 0.000 0.196 395 E C 2.110 178.689 176.600 -0.036 0.000 1.000 395 E CA 1.884 58.311 56.400 0.045 0.000 0.804 395 E CB -0.379 29.341 29.700 0.032 0.000 0.740 395 E HN 0.638 nan 8.360 nan 0.000 0.454 396 E N 0.344 120.537 120.200 -0.012 0.000 2.046 396 E HA -0.157 4.216 4.350 0.039 0.000 0.190 396 E C 2.081 178.667 176.600 -0.022 0.000 0.982 396 E CA 0.489 56.885 56.400 -0.007 0.000 0.800 396 E CB -0.027 29.688 29.700 0.025 0.000 0.756 396 E HN 0.065 nan 8.360 nan 0.000 0.449 397 L N 0.775 121.986 121.223 -0.019 0.000 2.127 397 L HA -0.166 4.197 4.340 0.039 0.000 0.211 397 L C 2.117 178.988 176.870 0.003 0.000 1.089 397 L CA 1.665 56.501 54.840 -0.006 0.000 0.757 397 L CB -0.778 41.296 42.059 0.025 0.000 0.899 397 L HN 0.070 nan 8.230 nan 0.000 0.434 398 A N -1.070 121.673 122.820 -0.129 0.000 1.861 398 A HA -0.143 4.200 4.320 0.039 0.000 0.212 398 A C 2.398 179.925 177.584 -0.095 0.000 1.199 398 A CA 0.958 52.885 52.037 -0.183 0.000 0.613 398 A CB -0.459 18.287 19.000 -0.424 0.000 0.846 398 A HN 0.330 nan 8.150 nan 0.000 0.446 399 R N -0.209 120.244 120.500 -0.078 0.000 2.357 399 R HA 0.090 4.454 4.340 0.039 0.000 0.202 399 R C 0.750 177.025 176.300 -0.042 0.000 1.047 399 R CA 0.810 56.880 56.100 -0.050 0.000 1.034 399 R CB -0.209 30.071 30.300 -0.033 0.000 0.875 399 R HN 0.404 nan 8.270 nan 0.000 0.473 400 A N 0.111 122.909 122.820 -0.038 0.000 2.605 400 A HA 0.130 4.473 4.320 0.039 0.000 0.292 400 A C 0.016 177.584 177.584 -0.027 0.000 1.055 400 A CA -0.289 51.728 52.037 -0.033 0.000 0.969 400 A CB 0.555 19.542 19.000 -0.022 0.000 1.236 400 A HN 0.227 nan 8.150 nan 0.000 0.534 401 S N 0.922 116.610 115.700 -0.021 0.000 2.457 401 S HA 0.552 5.045 4.470 0.039 0.000 0.216 401 S C -2.770 171.802 174.600 -0.045 0.000 1.392 401 S CA -1.211 56.993 58.200 0.006 0.000 1.102 401 S CB -0.025 63.229 63.200 0.090 0.000 1.114 401 S HN 0.134 nan 8.310 nan 0.000 0.484 402 P HA 0.204 nan 4.420 nan 0.000 0.266 402 P C 0.544 177.672 177.300 -0.287 0.000 1.195 402 P CA 0.536 63.446 63.100 -0.317 0.000 0.768 402 P CB 0.249 31.677 31.700 -0.453 0.000 0.838 403 H N -0.322 118.747 119.070 -0.002 0.000 1.452 403 H HA -0.225 4.356 4.556 0.042 0.000 0.090 403 H C 0.099 175.422 175.328 -0.008 0.000 0.629 403 H CA 1.111 57.156 56.048 -0.005 0.000 1.901 403 H CB -1.948 27.811 29.762 -0.004 0.000 2.257 403 H HN 0.657 nan 8.280 nan 0.000 0.961 404 S N -0.349 115.450 115.700 0.166 0.000 2.711 404 S HA 0.032 4.525 4.470 0.039 0.000 0.856 404 S C 0.536 175.152 174.600 0.027 0.000 0.760 404 S CA 1.674 59.914 58.200 0.067 0.000 1.585 404 S CB -1.197 62.024 63.200 0.034 0.000 1.138 404 S HN 1.375 nan 8.310 nan 0.000 0.365 405 T N 0.143 114.698 114.554 0.001 0.000 3.046 405 T HA 0.259 4.632 4.350 0.039 0.000 0.270 405 T C -0.069 174.595 174.700 -0.061 0.000 0.920 405 T CA 0.430 62.516 62.100 -0.024 0.000 0.874 405 T CB 0.089 68.944 68.868 -0.022 0.000 1.214 405 T HN 0.596 nan 8.240 nan 0.000 0.536 406 D N 2.393 122.752 120.400 -0.067 0.000 2.348 406 D HA 0.171 4.834 4.640 0.039 0.000 0.259 406 D C 1.362 177.549 176.300 -0.189 0.000 1.296 406 D CA -0.395 53.526 54.000 -0.131 0.000 0.931 406 D CB 0.421 41.170 40.800 -0.085 0.000 1.067 406 D HN 0.295 nan 8.370 nan 0.000 0.503 407 L N 3.335 124.378 121.223 -0.301 0.000 2.187 407 L HA -0.206 4.158 4.340 0.039 0.000 0.213 407 L C 2.267 178.927 176.870 -0.350 0.000 1.100 407 L CA 0.672 55.332 54.840 -0.300 0.000 0.765 407 L CB -0.461 41.427 42.059 -0.285 0.000 0.904 407 L HN 0.439 nan 8.230 nan 0.000 0.437 408 M N 0.078 119.344 119.600 -0.556 0.000 2.202 408 M HA -0.173 4.330 4.480 0.039 0.000 0.262 408 M C 2.131 178.398 176.300 -0.056 0.000 1.063 408 M CA 1.603 56.736 55.300 -0.277 0.000 1.097 408 M CB -0.387 32.073 32.600 -0.234 0.000 1.382 408 M HN 0.139 nan 8.290 nan 0.000 0.413 409 E N 0.015 120.185 120.200 -0.049 0.000 2.038 409 E HA -0.202 4.171 4.350 0.039 0.000 0.195 409 E C 2.076 178.636 176.600 -0.066 0.000 1.000 409 E CA 1.645 58.068 56.400 0.038 0.000 0.803 409 E CB -0.780 28.941 29.700 0.035 0.000 0.750 409 E HN 0.624 nan 8.360 nan 0.000 0.448 410 A N 1.811 124.588 122.820 -0.071 0.000 1.865 410 A HA -0.217 4.127 4.320 0.039 0.000 0.217 410 A C 2.255 179.823 177.584 -0.027 0.000 1.191 410 A CA 1.956 53.956 52.037 -0.062 0.000 0.623 410 A CB -0.484 18.495 19.000 -0.035 0.000 0.826 410 A HN 0.129 nan 8.150 nan 0.000 0.444 411 M N -0.380 119.234 119.600 0.023 0.000 2.108 411 M HA -0.175 4.329 4.480 0.039 0.000 0.261 411 M C 2.511 178.841 176.300 0.050 0.000 1.066 411 M CA 1.702 57.046 55.300 0.073 0.000 1.107 411 M CB -1.719 30.987 32.600 0.176 0.000 1.356 411 M HN 0.514 nan 8.290 nan 0.000 0.406 412 A N 0.048 122.899 122.820 0.052 0.000 1.851 412 A HA -0.190 4.153 4.320 0.039 0.000 0.216 412 A C 2.286 179.885 177.584 0.025 0.000 1.195 412 A CA 1.941 54.031 52.037 0.088 0.000 0.622 412 A CB -0.693 18.434 19.000 0.212 0.000 0.831 412 A HN 0.478 nan 8.150 nan 0.000 0.444 413 M N -0.639 118.864 119.600 -0.162 0.000 2.108 413 M HA -0.145 4.358 4.480 0.039 0.000 0.261 413 M C 2.278 178.626 176.300 0.079 0.000 1.066 413 M CA 1.546 56.765 55.300 -0.135 0.000 1.107 413 M CB -0.613 31.740 32.600 -0.412 0.000 1.356 413 M HN 0.553 nan 8.290 nan 0.000 0.406 414 G N -0.941 107.864 108.800 0.008 0.000 2.422 414 G HA2 -0.167 3.816 3.960 0.039 0.000 0.218 414 G HA3 -0.167 3.816 3.960 0.039 0.000 0.218 414 G C 1.584 176.465 174.900 -0.031 0.000 1.146 414 G CA 1.079 46.181 45.100 0.004 0.000 0.769 414 G HN 0.425 nan 8.290 nan 0.000 0.547 415 S N -0.119 115.566 115.700 -0.024 0.000 2.355 415 S HA -0.080 4.413 4.470 0.039 0.000 0.222 415 S C 2.514 177.034 174.600 -0.134 0.000 1.031 415 S CA 1.045 59.215 58.200 -0.051 0.000 0.993 415 S CB -0.244 62.950 63.200 -0.010 0.000 0.859 415 S HN 0.167 nan 8.310 nan 0.000 0.453 416 V N 1.827 121.651 119.914 -0.150 0.000 2.343 416 V HA -0.171 3.972 4.120 0.039 0.000 0.247 416 V C 2.567 178.235 176.094 -0.710 0.000 1.051 416 V CA 2.076 64.143 62.300 -0.388 0.000 1.036 416 V CB -0.672 31.041 31.823 -0.184 0.000 0.654 416 V HN 0.417 nan 8.190 nan 0.000 0.451 417 E N 0.921 120.817 120.200 -0.507 0.000 2.058 417 E HA -0.217 4.156 4.350 0.039 0.000 0.194 417 E C 2.104 178.570 176.600 -0.223 0.000 0.997 417 E CA 1.872 58.016 56.400 -0.428 0.000 0.801 417 E CB -0.530 29.037 29.700 -0.222 0.000 0.746 417 E HN 0.515 nan 8.360 nan 0.000 0.450 418 A N 0.180 122.898 122.820 -0.171 0.000 1.933 418 A HA -0.177 4.166 4.320 0.039 0.000 0.218 418 A C 2.382 179.894 177.584 -0.120 0.000 1.175 418 A CA 2.187 54.159 52.037 -0.108 0.000 0.628 418 A CB -0.948 18.004 19.000 -0.080 0.000 0.814 418 A HN 0.446 nan 8.150 nan 0.000 0.444 419 S N -1.364 114.217 115.700 -0.198 0.000 2.383 419 S HA -0.171 4.322 4.470 0.039 0.000 0.227 419 S C 1.877 176.404 174.600 -0.122 0.000 1.026 419 S CA 1.330 59.420 58.200 -0.184 0.000 0.981 419 S CB -0.752 62.296 63.200 -0.252 0.000 0.818 419 S HN 0.495 nan 8.310 nan 0.000 0.472 420 Y N 2.130 122.331 120.300 -0.164 0.000 2.114 420 Y HA 0.094 4.671 4.550 0.045 0.000 0.284 420 Y C 2.742 178.566 175.900 -0.126 0.000 1.143 420 Y CA 0.701 58.697 58.100 -0.174 0.000 1.135 420 Y CB -0.750 37.562 38.460 -0.245 0.000 0.980 420 Y HN 0.145 nan 8.280 nan 0.000 0.499 421 K N 0.413 120.846 120.400 0.055 0.000 2.020 421 K HA -0.170 4.173 4.320 0.039 0.000 0.212 421 K C 1.864 178.461 176.600 -0.004 0.000 1.050 421 K CA 1.764 58.055 56.287 0.007 0.000 0.929 421 K CB -0.944 31.548 32.500 -0.013 0.000 0.714 421 K HN 0.527 nan 8.250 nan 0.000 0.443 422 C N 0.477 119.768 119.300 -0.016 0.000 2.614 422 C HA 0.443 4.927 4.460 0.039 0.000 0.299 422 C C 0.871 175.850 174.990 -0.019 0.000 1.293 422 C CA -0.847 58.159 59.018 -0.020 0.000 1.713 422 C CB -1.661 26.060 27.740 -0.032 0.000 1.890 422 C HN 0.426 nan 8.230 nan 0.000 0.602 423 L N 0.578 121.796 121.223 -0.007 0.000 3.954 423 L HA -0.258 4.105 4.340 0.039 0.000 0.462 423 L C 1.219 178.078 176.870 -0.019 0.000 1.195 423 L CA 0.436 55.274 54.840 -0.004 0.000 0.739 423 L CB -2.088 39.973 42.059 0.003 0.000 1.599 423 L HN 0.733 nan 8.230 nan 0.000 0.838 424 A N 0.249 123.046 122.820 -0.039 0.000 2.520 424 A HA 0.431 4.774 4.320 0.039 0.000 0.235 424 A C 1.452 179.015 177.584 -0.034 0.000 1.065 424 A CA 0.688 52.691 52.037 -0.056 0.000 0.764 424 A CB 0.604 19.556 19.000 -0.079 0.000 1.002 424 A HN 0.692 nan 8.150 nan 0.000 0.502 425 A N 1.558 124.362 122.820 -0.028 0.000 2.016 425 A HA 0.481 4.825 4.320 0.039 0.000 0.217 425 A C 1.126 178.781 177.584 0.118 0.000 1.162 425 A CA 1.780 53.862 52.037 0.075 0.000 0.662 425 A CB -0.386 18.715 19.000 0.168 0.000 0.812 425 A HN 2.447 nan 8.150 nan 0.000 0.450 426 A N -2.065 120.773 122.820 0.030 0.000 2.586 426 A HA 0.594 4.937 4.320 0.039 0.000 0.291 426 A C -1.930 175.655 177.584 0.001 0.000 1.062 426 A CA -0.613 51.466 52.037 0.070 0.000 0.666 426 A CB 0.266 19.452 19.000 0.309 0.000 1.281 426 A HN 0.294 nan 8.150 nan 0.000 0.421 427 L N 1.142 122.381 121.223 0.026 0.000 2.305 427 L HA 0.586 4.949 4.340 0.039 0.000 0.284 427 L C -0.483 176.417 176.870 0.051 0.000 1.013 427 L CA 0.076 54.922 54.840 0.012 0.000 0.819 427 L CB 1.476 43.538 42.059 0.004 0.000 1.227 427 L HN 0.576 nan 8.230 nan 0.000 0.417 428 I N 3.960 124.552 120.570 0.036 0.000 2.321 428 I HA 0.435 4.628 4.170 0.039 0.000 0.291 428 I C -0.668 175.475 176.117 0.043 0.000 0.998 428 I CA -0.702 60.632 61.300 0.057 0.000 1.227 428 I CB 1.475 39.501 38.000 0.043 0.000 1.368 428 I HN 0.207 nan 8.210 nan 0.000 0.466 429 V N 7.532 127.478 119.914 0.053 0.000 2.483 429 V HA 0.389 4.533 4.120 0.039 0.000 0.297 429 V C -0.043 176.071 176.094 0.032 0.000 1.027 429 V CA -0.596 61.730 62.300 0.042 0.000 0.855 429 V CB 1.986 33.834 31.823 0.042 0.000 0.995 429 V HN 0.492 nan 8.190 nan 0.000 0.424 430 L N 4.293 125.531 121.223 0.025 0.000 2.264 430 L HA 0.731 5.095 4.340 0.039 0.000 0.289 430 L C 0.165 177.054 176.870 0.032 0.000 1.044 430 L CA 0.242 55.092 54.840 0.015 0.000 0.807 430 L CB 1.555 43.606 42.059 -0.013 0.000 1.192 430 L HN 0.764 nan 8.230 nan 0.000 0.425 431 T N 0.879 115.445 114.554 0.020 0.000 2.885 431 T HA 0.300 4.673 4.350 0.039 0.000 0.322 431 T C -0.055 174.651 174.700 0.010 0.000 1.387 431 T CA -0.401 61.706 62.100 0.012 0.000 1.041 431 T CB 1.875 70.719 68.868 -0.040 0.000 1.287 431 T HN 0.608 nan 8.240 nan 0.000 0.491 432 E N 0.921 121.130 120.200 0.016 0.000 2.288 432 E HA 0.091 4.465 4.350 0.039 0.000 0.200 432 E C 2.147 178.751 176.600 0.008 0.000 0.880 432 E CA 1.118 57.533 56.400 0.025 0.000 0.971 432 E CB -0.274 29.456 29.700 0.050 0.000 0.954 432 E HN 0.653 nan 8.360 nan 0.000 0.489 433 S N -0.352 115.343 115.700 -0.010 0.000 2.461 433 S HA 0.124 4.618 4.470 0.039 0.000 0.228 433 S C 1.721 176.261 174.600 -0.101 0.000 1.005 433 S CA 1.097 59.286 58.200 -0.018 0.000 0.942 433 S CB 0.184 63.379 63.200 -0.008 0.000 0.776 433 S HN 0.330 nan 8.310 nan 0.000 0.514 434 G N 1.697 110.377 108.800 -0.201 0.000 2.195 434 G HA2 -0.314 3.670 3.960 0.039 0.000 0.246 434 G HA3 -0.314 3.670 3.960 0.039 0.000 0.246 434 G C 1.003 175.299 174.900 -1.006 0.000 0.984 434 G CA 0.318 45.134 45.100 -0.472 0.000 0.633 434 G HN 0.491 nan 8.290 nan 0.000 0.525 435 R N 0.771 120.916 120.500 -0.591 0.000 2.115 435 R HA -0.108 4.255 4.340 0.039 0.000 0.239 435 R C 2.800 178.939 176.300 -0.267 0.000 1.133 435 R CA 2.076 57.933 56.100 -0.405 0.000 0.935 435 R CB -0.731 29.505 30.300 -0.107 0.000 0.853 435 R HN 0.391 nan 8.270 nan 0.000 0.433 436 S N 0.327 115.952 115.700 -0.125 0.000 2.374 436 S HA -0.214 4.279 4.470 0.039 0.000 0.227 436 S C 2.025 176.603 174.600 -0.036 0.000 1.037 436 S CA 1.441 59.634 58.200 -0.011 0.000 1.024 436 S CB -0.249 62.991 63.200 0.067 0.000 0.861 436 S HN 0.542 nan 8.310 nan 0.000 0.456 437 A N 1.297 124.045 122.820 -0.120 0.000 1.930 437 A HA -0.124 4.219 4.320 0.039 0.000 0.217 437 A C 1.782 179.349 177.584 -0.028 0.000 1.175 437 A CA 1.450 53.453 52.037 -0.057 0.000 0.627 437 A CB -0.832 18.132 19.000 -0.060 0.000 0.815 437 A HN 0.511 nan 8.150 nan 0.000 0.443 438 H N 0.165 119.083 119.070 -0.254 0.000 2.319 438 H HA -0.122 4.457 4.556 0.038 0.000 0.299 438 H C 2.206 177.460 175.328 -0.122 0.000 1.092 438 H CA 1.708 57.506 56.048 -0.416 0.000 1.302 438 H CB -0.419 29.035 29.762 -0.514 0.000 1.373 438 H HN 0.473 nan 8.280 nan 0.000 0.497 439 Q N 0.220 120.068 119.800 0.080 0.000 2.124 439 Q HA -0.071 4.292 4.340 0.039 0.000 0.202 439 Q C 2.640 178.748 176.000 0.180 0.000 0.977 439 Q CA 0.887 56.760 55.803 0.117 0.000 0.850 439 Q CB -0.485 28.323 28.738 0.118 0.000 0.901 439 Q HN 0.324 nan 8.270 nan 0.000 0.429 440 V N 1.026 121.027 119.914 0.145 0.000 2.427 440 V HA -0.190 3.954 4.120 0.039 0.000 0.248 440 V C 2.346 178.537 176.094 0.162 0.000 1.051 440 V CA 1.550 63.951 62.300 0.168 0.000 1.048 440 V CB -0.935 30.951 31.823 0.105 0.000 0.666 440 V HN 0.296 nan 8.190 nan 0.000 0.456 441 A N 0.154 123.050 122.820 0.127 0.000 1.898 441 A HA -0.231 4.112 4.320 0.039 0.000 0.216 441 A C 2.392 180.043 177.584 0.113 0.000 1.181 441 A CA 1.828 53.948 52.037 0.139 0.000 0.620 441 A CB -0.584 18.523 19.000 0.177 0.000 0.819 441 A HN 0.472 nan 8.150 nan 0.000 0.442 442 R N -1.491 119.036 120.500 0.046 0.000 2.119 442 R HA -0.215 4.148 4.340 0.039 0.000 0.246 442 R C 0.941 177.087 176.300 -0.257 0.000 1.146 442 R CA 2.067 58.084 56.100 -0.139 0.000 0.962 442 R CB -0.400 29.722 30.300 -0.296 0.000 0.863 442 R HN 0.564 nan 8.270 nan 0.000 0.442 443 Y N 1.119 121.489 120.300 0.117 0.000 2.470 443 Y HA 0.203 4.774 4.550 0.035 0.000 0.302 443 Y C 0.028 176.087 175.900 0.265 0.000 1.194 443 Y CA -0.077 58.117 58.100 0.158 0.000 1.271 443 Y CB 0.120 38.683 38.460 0.172 0.000 1.092 443 Y HN -0.020 nan 8.280 nan 0.000 0.513 444 R N 0.055 120.714 120.500 0.266 0.000 3.022 444 R HA -0.168 4.195 4.340 0.039 0.000 0.248 444 R C -2.867 173.624 176.300 0.318 0.000 0.874 444 R CA 0.228 56.496 56.100 0.281 0.000 0.626 444 R CB -1.778 28.695 30.300 0.287 0.000 1.255 444 R HN 0.303 nan 8.270 nan 0.000 0.496 445 P HA 0.057 nan 4.420 nan 0.000 0.274 445 P C 0.506 177.845 177.300 0.066 0.000 1.246 445 P CA -0.378 62.703 63.100 -0.032 0.000 0.795 445 P CB 0.669 32.304 31.700 -0.109 0.000 1.006 446 R N 1.256 121.724 120.500 -0.053 0.000 2.100 446 R HA 0.097 4.460 4.340 0.039 0.000 0.220 446 R C 0.822 177.088 176.300 -0.056 0.000 1.091 446 R CA 0.484 56.486 56.100 -0.162 0.000 0.986 446 R CB -0.413 29.631 30.300 -0.426 0.000 0.888 446 R HN 0.570 nan 8.270 nan 0.000 0.444 447 A N 2.583 125.362 122.820 -0.067 0.000 2.332 447 A HA 0.379 4.722 4.320 0.039 0.000 0.258 447 A C -2.254 175.298 177.584 -0.053 0.000 1.087 447 A CA -1.579 50.422 52.037 -0.060 0.000 0.802 447 A CB 0.084 19.055 19.000 -0.050 0.000 1.042 447 A HN 0.290 nan 8.150 nan 0.000 0.489 448 P HA 0.169 nan 4.420 nan 0.000 0.271 448 P C -0.841 176.463 177.300 0.007 0.000 1.216 448 P CA 0.374 63.407 63.100 -0.112 0.000 0.776 448 P CB 0.489 31.938 31.700 -0.419 0.000 0.881 449 I N 4.172 124.787 120.570 0.073 0.000 2.307 449 I HA 0.263 4.456 4.170 0.039 0.000 0.287 449 I C 0.724 176.944 176.117 0.173 0.000 1.054 449 I CA -0.597 60.768 61.300 0.107 0.000 1.218 449 I CB 0.265 38.328 38.000 0.106 0.000 1.398 449 I HN 0.129 nan 8.210 nan 0.000 0.475 450 I N 6.208 126.889 120.570 0.184 0.000 2.294 450 I HA 0.238 4.431 4.170 0.039 0.000 0.295 450 I C 0.698 176.917 176.117 0.170 0.000 1.098 450 I CA -0.076 61.369 61.300 0.242 0.000 1.277 450 I CB 0.687 38.838 38.000 0.252 0.000 1.434 450 I HN 0.571 nan 8.210 nan 0.000 0.498 451 A N 7.364 130.277 122.820 0.155 0.000 2.294 451 A HA 0.549 4.893 4.320 0.039 0.000 0.316 451 A C -0.252 177.373 177.584 0.068 0.000 1.359 451 A CA -0.411 51.676 52.037 0.084 0.000 0.956 451 A CB 0.425 19.456 19.000 0.051 0.000 1.155 451 A HN 0.459 nan 8.150 nan 0.000 0.544 452 V N 2.873 122.819 119.914 0.054 0.000 2.406 452 V HA 0.618 4.762 4.120 0.039 0.000 0.272 452 V C 0.604 176.707 176.094 0.015 0.000 1.043 452 V CA 0.090 62.412 62.300 0.037 0.000 0.915 452 V CB 1.141 32.983 31.823 0.031 0.000 0.988 452 V HN 0.944 nan 8.190 nan 0.000 0.466 453 T N 4.376 118.933 114.554 0.005 0.000 2.883 453 T HA 0.433 4.806 4.350 0.039 0.000 0.301 453 T C 0.471 175.169 174.700 -0.005 0.000 1.158 453 T CA -0.635 61.468 62.100 0.005 0.000 1.007 453 T CB 1.747 70.618 68.868 0.005 0.000 1.186 453 T HN 0.635 nan 8.240 nan 0.000 0.499 454 R N 1.367 121.882 120.500 0.024 0.000 2.362 454 R HA 0.218 4.581 4.340 0.039 0.000 0.227 454 R C 0.456 176.827 176.300 0.117 0.000 0.905 454 R CA -0.199 55.929 56.100 0.047 0.000 1.067 454 R CB 0.226 30.567 30.300 0.068 0.000 1.078 454 R HN 0.357 nan 8.270 nan 0.000 0.516 455 N N 1.153 119.910 118.700 0.094 0.000 2.719 455 N HA -0.023 4.741 4.740 0.039 0.000 0.243 455 N C 0.242 175.844 175.510 0.153 0.000 1.104 455 N CA 0.133 53.265 53.050 0.137 0.000 0.981 455 N CB 0.356 38.894 38.487 0.086 0.000 1.290 455 N HN 0.141 nan 8.380 nan 0.000 0.513 456 H N 1.096 120.196 119.070 0.050 0.000 2.407 456 H HA -0.242 4.337 4.556 0.039 0.000 0.293 456 H C 1.823 177.189 175.328 0.064 0.000 1.122 456 H CA 2.369 58.457 56.048 0.067 0.000 1.232 456 H CB 0.216 30.017 29.762 0.066 0.000 1.361 456 H HN 0.650 nan 8.280 nan 0.000 0.498 457 Q N 0.232 120.139 119.800 0.179 0.000 2.049 457 Q HA -0.142 4.221 4.340 0.039 0.000 0.198 457 Q C 2.227 178.286 176.000 0.099 0.000 0.971 457 Q CA 2.094 57.968 55.803 0.118 0.000 0.833 457 Q CB 0.008 28.801 28.738 0.091 0.000 0.896 457 Q HN 0.625 nan 8.270 nan 0.000 0.434 458 T N -1.765 112.844 114.554 0.092 0.000 2.881 458 T HA -0.021 4.352 4.350 0.039 0.000 0.270 458 T C 1.792 176.532 174.700 0.066 0.000 1.068 458 T CA 0.997 63.152 62.100 0.091 0.000 1.131 458 T CB -0.404 68.503 68.868 0.065 0.000 0.871 458 T HN 0.376 nan 8.240 nan 0.000 0.479 459 A N 2.016 124.855 122.820 0.033 0.000 1.855 459 A HA 0.040 4.384 4.320 0.039 0.000 0.215 459 A C 2.610 180.147 177.584 -0.077 0.000 1.191 459 A CA 1.298 53.314 52.037 -0.035 0.000 0.613 459 A CB -0.683 18.294 19.000 -0.039 0.000 0.829 459 A HN 0.477 nan 8.150 nan 0.000 0.442 460 R N -0.474 120.036 120.500 0.017 0.000 2.083 460 R HA -0.167 4.196 4.340 0.039 0.000 0.237 460 R C 2.468 178.832 176.300 0.107 0.000 1.137 460 R CA 1.895 58.041 56.100 0.077 0.000 0.951 460 R CB -0.322 30.043 30.300 0.108 0.000 0.851 460 R HN 0.699 nan 8.270 nan 0.000 0.434 461 Q N -0.424 119.440 119.800 0.106 0.000 2.224 461 Q HA -0.048 4.315 4.340 0.039 0.000 0.203 461 Q C 2.079 178.200 176.000 0.201 0.000 0.970 461 Q CA 1.034 56.926 55.803 0.148 0.000 0.865 461 Q CB -0.030 28.805 28.738 0.161 0.000 0.922 461 Q HN 0.346 nan 8.270 nan 0.000 0.445 462 A N 0.954 123.862 122.820 0.146 0.000 1.986 462 A HA -0.255 4.088 4.320 0.039 0.000 0.220 462 A C 1.409 179.112 177.584 0.198 0.000 1.171 462 A CA 1.714 53.865 52.037 0.192 0.000 0.640 462 A CB -0.876 18.133 19.000 0.015 0.000 0.811 462 A HN 0.454 nan 8.150 nan 0.000 0.451 463 H N -0.646 118.503 119.070 0.132 0.000 2.492 463 H HA -0.053 4.526 4.556 0.038 0.000 0.296 463 H C 1.653 177.018 175.328 0.061 0.000 1.095 463 H CA 1.186 57.279 56.048 0.075 0.000 1.281 463 H CB -0.232 29.542 29.762 0.019 0.000 1.374 463 H HN 0.422 nan 8.280 nan 0.000 0.545 464 L N -0.059 121.247 121.223 0.138 0.000 2.362 464 L HA -0.123 4.241 4.340 0.039 0.000 0.219 464 L C -0.113 176.573 176.870 -0.307 0.000 1.134 464 L CA 0.477 55.247 54.840 -0.116 0.000 0.807 464 L CB -0.043 41.852 42.059 -0.274 0.000 0.927 464 L HN 0.284 nan 8.230 nan 0.000 0.447 465 Y N -0.666 119.644 120.300 0.016 0.000 2.330 465 Y HA 0.369 4.942 4.550 0.038 0.000 0.336 465 Y C 0.639 176.572 175.900 0.055 0.000 1.036 465 Y CA -1.235 56.872 58.100 0.011 0.000 1.125 465 Y CB 0.714 39.173 38.460 -0.001 0.000 1.194 465 Y HN -0.116 nan 8.280 nan 0.000 0.469 466 R N 1.656 122.256 120.500 0.168 0.000 2.502 466 R HA 0.278 4.641 4.340 0.039 0.000 0.292 466 R C 1.161 177.560 176.300 0.165 0.000 0.998 466 R CA 1.146 57.329 56.100 0.139 0.000 1.056 466 R CB -0.471 29.894 30.300 0.109 0.000 0.939 466 R HN 0.969 nan 8.270 nan 0.000 0.411 467 G N 3.943 112.835 108.800 0.153 0.000 2.234 467 G HA2 -0.306 3.677 3.960 0.039 0.000 0.260 467 G HA3 -0.306 3.677 3.960 0.039 0.000 0.260 467 G C 0.282 175.284 174.900 0.170 0.000 0.987 467 G CA 0.317 45.503 45.100 0.143 0.000 0.625 467 G HN 0.584 nan 8.290 nan 0.000 0.532 468 I N 0.887 121.571 120.570 0.190 0.000 2.396 468 I HA 0.381 4.574 4.170 0.039 0.000 0.289 468 I C -0.023 176.211 176.117 0.195 0.000 1.056 468 I CA -0.457 60.950 61.300 0.179 0.000 1.365 468 I CB 0.634 38.725 38.000 0.152 0.000 1.407 468 I HN 0.095 nan 8.210 nan 0.000 0.509 469 F N 10.263 130.259 119.950 0.077 0.000 2.293 469 F HA 0.430 4.980 4.527 0.038 0.000 0.370 469 F C -2.018 173.806 175.800 0.041 0.000 1.090 469 F CA -2.723 55.335 58.000 0.097 0.000 1.133 469 F CB 0.655 39.770 39.000 0.191 0.000 1.360 469 F HN 0.266 nan 8.300 nan 0.000 0.489 470 P HA 0.047 nan 4.420 nan 0.000 0.268 470 P C -1.046 176.206 177.300 -0.080 0.000 1.204 470 P CA 0.167 63.172 63.100 -0.158 0.000 0.768 470 P CB 1.779 33.270 31.700 -0.349 0.000 0.842 471 V N 4.838 124.769 119.914 0.027 0.000 2.447 471 V HA 0.102 4.245 4.120 0.039 0.000 0.292 471 V C 0.242 176.354 176.094 0.029 0.000 1.021 471 V CA -0.813 61.529 62.300 0.071 0.000 0.850 471 V CB 2.167 34.076 31.823 0.144 0.000 1.005 471 V HN 0.266 nan 8.190 nan 0.000 0.426 472 V N 4.278 124.206 119.914 0.023 0.000 2.455 472 V HA 0.147 4.290 4.120 0.039 0.000 0.273 472 V C 0.527 176.590 176.094 -0.051 0.000 1.045 472 V CA -0.204 62.052 62.300 -0.073 0.000 0.976 472 V CB 1.150 32.863 31.823 -0.184 0.000 0.993 472 V HN 1.009 nan 8.190 nan 0.000 0.475 473 C N 6.626 125.895 119.300 -0.051 0.000 2.325 473 C HA 0.395 4.878 4.460 0.039 0.000 0.347 473 C C 1.366 176.347 174.990 -0.014 0.000 1.263 473 C CA -0.544 58.463 59.018 -0.019 0.000 1.806 473 C CB -0.332 27.404 27.740 -0.007 0.000 2.405 473 C HN 1.028 nan 8.230 nan 0.000 0.537 474 K N 2.380 122.780 120.400 -0.001 0.000 2.361 474 K HA 0.112 4.455 4.320 0.039 0.000 0.194 474 K C 0.317 176.934 176.600 0.028 0.000 1.032 474 K CA 0.019 56.324 56.287 0.029 0.000 1.048 474 K CB 0.136 32.648 32.500 0.021 0.000 0.842 474 K HN 0.737 nan 8.250 nan 0.000 0.526 475 D N 3.230 123.638 120.400 0.013 0.000 2.472 475 D HA 0.006 4.669 4.640 0.039 0.000 0.237 475 D C -2.138 174.170 176.300 0.014 0.000 1.141 475 D CA -0.652 53.353 54.000 0.008 0.000 0.875 475 D CB 0.617 41.415 40.800 -0.003 0.000 1.192 475 D HN 0.073 nan 8.370 nan 0.000 0.450 476 P HA 0.000 nan 4.420 nan 0.000 0.274 476 P C -0.102 177.207 177.300 0.015 0.000 1.237 476 P CA -0.526 62.585 63.100 0.018 0.000 0.793 476 P CB 0.866 32.574 31.700 0.014 0.000 0.977 477 V N 2.112 122.041 119.914 0.026 0.000 2.485 477 V HA -0.019 4.125 4.120 0.039 0.000 0.287 477 V C 0.405 176.515 176.094 0.027 0.000 1.022 477 V CA 0.219 62.538 62.300 0.033 0.000 1.067 477 V CB -0.264 31.596 31.823 0.061 0.000 0.967 477 V HN 0.468 nan 8.190 nan 0.000 0.479 478 Q N 4.808 124.615 119.800 0.013 0.000 2.454 478 Q HA 0.178 4.541 4.340 0.039 0.000 0.247 478 Q C 1.214 177.233 176.000 0.032 0.000 1.028 478 Q CA 0.318 56.126 55.803 0.008 0.000 0.910 478 Q CB 0.789 29.515 28.738 -0.020 0.000 1.276 478 Q HN 0.835 nan 8.270 nan 0.000 0.489 479 E N 0.874 121.088 120.200 0.023 0.000 2.023 479 E HA -0.127 4.247 4.350 0.039 0.000 0.196 479 E C -0.191 176.439 176.600 0.050 0.000 1.003 479 E CA 1.364 57.783 56.400 0.031 0.000 0.809 479 E CB -0.327 29.383 29.700 0.016 0.000 0.755 479 E HN 0.620 nan 8.360 nan 0.000 0.449 480 A N 1.577 124.420 122.820 0.038 0.000 2.320 480 A HA 0.056 4.399 4.320 0.039 0.000 0.287 480 A C 0.790 178.426 177.584 0.087 0.000 1.181 480 A CA -0.439 51.631 52.037 0.054 0.000 0.831 480 A CB -0.163 18.845 19.000 0.013 0.000 1.102 480 A HN 0.504 nan 8.150 nan 0.000 0.513 481 W N 3.042 124.295 121.300 -0.079 0.000 2.325 481 W HA -0.284 4.399 4.660 0.038 0.000 0.299 481 W C 1.591 178.046 176.519 -0.107 0.000 1.215 481 W CA 2.028 59.317 57.345 -0.093 0.000 1.244 481 W CB -0.067 29.322 29.460 -0.118 0.000 1.140 481 W HN 0.786 nan 8.180 nan 0.000 0.523 482 A N 0.696 123.440 122.820 -0.125 0.000 1.902 482 A HA -0.238 4.106 4.320 0.039 0.000 0.217 482 A C 1.820 179.258 177.584 -0.243 0.000 1.181 482 A CA 1.903 53.791 52.037 -0.247 0.000 0.623 482 A CB -0.959 17.959 19.000 -0.137 0.000 0.818 482 A HN 0.463 nan 8.150 nan 0.000 0.443 483 E N -0.788 119.319 120.200 -0.155 0.000 2.106 483 E HA -0.182 4.191 4.350 0.039 0.000 0.192 483 E C 1.603 178.105 176.600 -0.162 0.000 0.984 483 E CA 1.026 57.350 56.400 -0.128 0.000 0.806 483 E CB -0.134 29.523 29.700 -0.073 0.000 0.750 483 E HN 0.640 nan 8.360 nan 0.000 0.458 484 D N -0.093 120.188 120.400 -0.199 0.000 2.178 484 D HA -0.114 4.550 4.640 0.039 0.000 0.202 484 D C 1.767 177.870 176.300 -0.328 0.000 0.974 484 D CA 0.574 54.446 54.000 -0.214 0.000 0.841 484 D CB 0.270 40.967 40.800 -0.172 0.000 0.953 484 D HN -0.054 nan 8.370 nan 0.000 0.478 485 V N 0.573 120.186 119.914 -0.502 0.000 2.255 485 V HA -0.155 3.989 4.120 0.039 0.000 0.243 485 V C 1.862 177.790 176.094 -0.277 0.000 1.038 485 V CA 1.738 63.737 62.300 -0.503 0.000 1.008 485 V CB -0.491 30.939 31.823 -0.655 0.000 0.645 485 V HN 0.178 nan 8.190 nan 0.000 0.449 486 D N -0.032 120.231 120.400 -0.228 0.000 2.265 486 D HA -0.167 4.496 4.640 0.039 0.000 0.208 486 D C 1.975 178.211 176.300 -0.107 0.000 0.977 486 D CA 1.157 55.072 54.000 -0.141 0.000 0.871 486 D CB -0.025 40.706 40.800 -0.115 0.000 0.925 486 D HN 0.415 nan 8.370 nan 0.000 0.485 487 L N 0.480 121.632 121.223 -0.119 0.000 2.007 487 L HA -0.117 4.246 4.340 0.039 0.000 0.205 487 L C 2.334 179.163 176.870 -0.067 0.000 1.073 487 L CA 1.142 55.933 54.840 -0.081 0.000 0.744 487 L CB 0.011 42.022 42.059 -0.081 0.000 0.898 487 L HN -0.188 nan 8.230 nan 0.000 0.435 488 R N -0.791 119.655 120.500 -0.090 0.000 2.152 488 R HA -0.111 4.252 4.340 0.039 0.000 0.232 488 R C 2.002 178.278 176.300 -0.039 0.000 1.117 488 R CA 1.303 57.366 56.100 -0.061 0.000 0.981 488 R CB -0.391 29.859 30.300 -0.084 0.000 0.870 488 R HN 0.308 nan 8.270 nan 0.000 0.451 489 V N 0.841 120.720 119.914 -0.058 0.000 2.407 489 V HA -0.182 3.961 4.120 0.039 0.000 0.245 489 V C 1.435 177.528 176.094 -0.003 0.000 1.041 489 V CA 1.799 64.079 62.300 -0.032 0.000 1.040 489 V CB -0.466 31.323 31.823 -0.058 0.000 0.671 489 V HN 0.403 nan 8.190 nan 0.000 0.455 490 N N 0.123 118.815 118.700 -0.013 0.000 2.244 490 N HA -0.143 4.620 4.740 0.039 0.000 0.183 490 N C 1.739 177.264 175.510 0.024 0.000 1.016 490 N CA 0.876 53.929 53.050 0.006 0.000 0.866 490 N CB -0.115 38.366 38.487 -0.010 0.000 0.980 490 N HN 0.335 nan 8.380 nan 0.000 0.430 491 L N 1.322 122.555 121.223 0.016 0.000 2.046 491 L HA -0.020 4.343 4.340 0.039 0.000 0.208 491 L C 2.139 179.040 176.870 0.052 0.000 1.077 491 L CA 1.424 56.281 54.840 0.027 0.000 0.747 491 L CB -0.797 41.273 42.059 0.020 0.000 0.896 491 L HN 0.060 nan 8.230 nan 0.000 0.432 492 A N -0.700 122.162 122.820 0.069 0.000 1.898 492 A HA -0.180 4.164 4.320 0.039 0.000 0.216 492 A C 2.227 179.917 177.584 0.176 0.000 1.181 492 A CA 1.950 54.057 52.037 0.117 0.000 0.620 492 A CB -0.524 18.547 19.000 0.118 0.000 0.819 492 A HN 0.492 nan 8.150 nan 0.000 0.442 493 M N -0.031 119.670 119.600 0.167 0.000 2.108 493 M HA -0.178 4.326 4.480 0.039 0.000 0.261 493 M C 1.775 178.196 176.300 0.201 0.000 1.066 493 M CA 1.668 57.123 55.300 0.258 0.000 1.107 493 M CB -1.597 31.081 32.600 0.130 0.000 1.356 493 M HN 0.576 nan 8.290 nan 0.000 0.406 494 N N -0.359 118.388 118.700 0.079 0.000 2.171 494 N HA -0.102 4.662 4.740 0.039 0.000 0.184 494 N C 1.766 177.234 175.510 -0.070 0.000 1.021 494 N CA 0.779 53.835 53.050 0.010 0.000 0.854 494 N CB 0.081 38.573 38.487 0.008 0.000 0.994 494 N HN 0.049 nan 8.380 nan 0.000 0.426 495 V N 0.987 120.866 119.914 -0.059 0.000 2.332 495 V HA -0.189 3.954 4.120 0.039 0.000 0.248 495 V C 2.398 178.251 176.094 -0.401 0.000 1.055 495 V CA 2.108 64.324 62.300 -0.141 0.000 1.038 495 V CB -1.098 30.711 31.823 -0.023 0.000 0.651 495 V HN 0.438 nan 8.190 nan 0.000 0.450 496 G N -0.449 108.101 108.800 -0.417 0.000 2.421 496 G HA2 -0.246 3.738 3.960 0.039 0.000 0.216 496 G HA3 -0.246 3.738 3.960 0.039 0.000 0.216 496 G C 1.660 175.932 174.900 -1.047 0.000 1.171 496 G CA 0.847 45.353 45.100 -0.991 0.000 0.775 496 G HN 0.471 nan 8.290 nan 0.000 0.543 497 K N 0.544 120.602 120.400 -0.571 0.000 2.097 497 K HA 0.057 4.400 4.320 0.039 0.000 0.206 497 K C 2.922 179.342 176.600 -0.299 0.000 1.049 497 K CA 0.951 57.049 56.287 -0.316 0.000 0.933 497 K CB -0.185 32.270 32.500 -0.076 0.000 0.717 497 K HN 0.277 nan 8.250 nan 0.000 0.442 498 A N 1.237 123.877 122.820 -0.301 0.000 1.873 498 A HA -0.127 4.216 4.320 0.039 0.000 0.215 498 A C 1.950 179.334 177.584 -0.334 0.000 1.186 498 A CA 1.312 53.202 52.037 -0.245 0.000 0.616 498 A CB -0.262 18.628 19.000 -0.184 0.000 0.823 498 A HN 0.089 nan 8.150 nan 0.000 0.442 499 R N -0.911 119.234 120.500 -0.592 0.000 2.323 499 R HA 0.192 4.556 4.340 0.039 0.000 0.198 499 R C 1.186 177.127 176.300 -0.598 0.000 0.988 499 R CA 0.782 56.425 56.100 -0.761 0.000 1.041 499 R CB -0.527 28.833 30.300 -1.567 0.000 0.926 499 R HN 0.779 nan 8.270 nan 0.000 0.476 500 G N -0.388 108.156 108.800 -0.427 0.000 2.179 500 G HA2 -0.278 3.705 3.960 0.039 0.000 0.257 500 G HA3 -0.278 3.705 3.960 0.039 0.000 0.257 500 G C 0.480 175.356 174.900 -0.039 0.000 1.010 500 G CA 0.265 45.254 45.100 -0.184 0.000 0.736 500 G HN 0.280 nan 8.290 nan 0.000 0.513 501 F N -0.381 119.329 119.950 -0.400 0.000 2.293 501 F HA 0.365 4.916 4.527 0.041 0.000 0.297 501 F C 1.334 177.024 175.800 -0.184 0.000 1.089 501 F CA 0.556 58.339 58.000 -0.361 0.000 1.377 501 F CB -0.502 38.161 39.000 -0.561 0.000 1.051 501 F HN 0.442 nan 8.300 nan 0.000 0.511 502 F N -1.486 118.540 119.950 0.127 0.000 2.725 502 F HA 0.517 5.067 4.527 0.038 0.000 0.309 502 F C -0.967 174.845 175.800 0.020 0.000 1.132 502 F CA -2.393 55.643 58.000 0.060 0.000 0.957 502 F CB 0.689 39.722 39.000 0.055 0.000 1.286 502 F HN -0.195 nan 8.300 nan 0.000 0.440 503 K N 0.557 121.130 120.400 0.288 0.000 2.258 503 K HA 0.486 4.830 4.320 0.039 0.000 0.236 503 K C -0.780 175.915 176.600 0.158 0.000 1.008 503 K CA -1.275 55.115 56.287 0.172 0.000 0.869 503 K CB 1.807 34.361 32.500 0.090 0.000 1.171 503 K HN 0.681 nan 8.250 nan 0.000 0.447 504 K N 0.471 120.931 120.400 0.101 0.000 2.466 504 K HA -0.076 4.268 4.320 0.039 0.000 0.278 504 K C 0.425 177.048 176.600 0.038 0.000 1.048 504 K CA 1.755 58.080 56.287 0.062 0.000 1.088 504 K CB -0.346 32.179 32.500 0.040 0.000 0.884 504 K HN 0.962 nan 8.250 nan 0.000 0.478 505 G N 3.691 112.499 108.800 0.014 0.000 2.253 505 G HA2 -0.185 3.799 3.960 0.039 0.000 0.209 505 G HA3 -0.185 3.799 3.960 0.039 0.000 0.209 505 G C -0.058 174.833 174.900 -0.014 0.000 0.997 505 G CA -0.035 45.064 45.100 -0.001 0.000 0.640 505 G HN 0.668 nan 8.290 nan 0.000 0.496 506 D N 0.158 120.551 120.400 -0.011 0.000 2.384 506 D HA 0.492 5.155 4.640 0.039 0.000 0.244 506 D C 0.657 176.893 176.300 -0.107 0.000 1.251 506 D CA 0.229 54.210 54.000 -0.033 0.000 0.961 506 D CB 1.473 42.283 40.800 0.016 0.000 1.116 506 D HN 0.240 nan 8.370 nan 0.000 0.484 507 V N 0.577 120.424 119.914 -0.111 0.000 2.513 507 V HA 0.532 4.676 4.120 0.039 0.000 0.299 507 V C 0.168 176.148 176.094 -0.190 0.000 1.035 507 V CA -0.715 61.505 62.300 -0.134 0.000 0.889 507 V CB 1.646 33.421 31.823 -0.081 0.000 0.988 507 V HN 0.428 nan 8.190 nan 0.000 0.440 508 V N 3.011 122.794 119.914 -0.218 0.000 3.049 508 V HA 0.738 4.881 4.120 0.039 0.000 0.309 508 V C -0.613 175.400 176.094 -0.136 0.000 1.148 508 V CA -0.936 61.233 62.300 -0.219 0.000 0.990 508 V CB 2.046 33.641 31.823 -0.380 0.000 1.039 508 V HN 0.917 nan 8.190 nan 0.000 0.430 509 I N 1.472 121.985 120.570 -0.096 0.000 2.392 509 I HA 0.869 5.062 4.170 0.039 0.000 0.295 509 I C -0.916 175.175 176.117 -0.043 0.000 0.985 509 I CA -0.762 60.500 61.300 -0.063 0.000 1.221 509 I CB 1.868 39.834 38.000 -0.057 0.000 1.366 509 I HN 0.456 nan 8.210 nan 0.000 0.467 510 V N 7.299 127.196 119.914 -0.028 0.000 2.417 510 V HA 0.419 4.562 4.120 0.039 0.000 0.291 510 V C 0.005 176.107 176.094 0.013 0.000 1.024 510 V CA -0.503 61.791 62.300 -0.010 0.000 0.861 510 V CB 1.571 33.382 31.823 -0.020 0.000 0.985 510 V HN 0.619 nan 8.190 nan 0.000 0.436 511 L N 5.856 127.094 121.223 0.026 0.000 2.294 511 L HA 0.662 5.025 4.340 0.039 0.000 0.283 511 L C 0.385 177.287 176.870 0.052 0.000 1.015 511 L CA 0.011 54.880 54.840 0.049 0.000 0.831 511 L CB 1.700 43.795 42.059 0.059 0.000 1.217 511 L HN 0.899 nan 8.230 nan 0.000 0.420 512 T N -0.422 114.174 114.554 0.069 0.000 2.831 512 T HA 0.714 5.087 4.350 0.039 0.000 0.287 512 T C -0.006 174.777 174.700 0.139 0.000 1.070 512 T CA -0.730 61.416 62.100 0.076 0.000 1.010 512 T CB 1.880 70.760 68.868 0.020 0.000 1.264 512 T HN 0.455 nan 8.240 nan 0.000 0.532 513 G N -0.562 108.381 108.800 0.238 0.000 2.348 513 G HA2 0.393 4.376 3.960 0.039 0.000 0.312 513 G HA3 0.393 4.376 3.960 0.039 0.000 0.312 513 G C 0.385 175.558 174.900 0.455 0.000 1.126 513 G CA -0.906 44.366 45.100 0.286 0.000 0.865 513 G HN 0.809 nan 8.290 nan 0.000 0.474 514 W N 3.565 124.924 121.300 0.098 0.000 2.332 514 W HA -0.051 4.633 4.660 0.039 0.000 0.321 514 W C 1.120 177.768 176.519 0.215 0.000 1.219 514 W CA 1.132 58.553 57.345 0.128 0.000 1.277 514 W CB 0.327 29.785 29.460 -0.002 0.000 1.161 514 W HN 0.559 nan 8.180 nan 0.000 0.476 515 R N 0.220 120.693 120.500 -0.044 0.000 2.832 515 R HA 0.293 4.656 4.340 0.039 0.000 0.271 515 R C -1.771 173.796 176.300 -1.220 0.000 0.996 515 R CA -1.377 54.351 56.100 -0.621 0.000 0.977 515 R CB 0.952 31.054 30.300 -0.330 0.000 1.168 515 R HN -0.212 nan 8.270 nan 0.000 0.482 516 P HA -0.154 nan 4.420 nan 0.000 0.219 516 P C 1.020 177.858 177.300 -0.769 0.000 1.146 516 P CA 1.785 63.753 63.100 -1.887 0.000 0.808 516 P CB -0.046 30.955 31.700 -1.166 0.000 0.779 517 G N -0.512 107.983 108.800 -0.509 0.000 2.712 517 G HA2 -0.032 3.951 3.960 0.039 0.000 0.212 517 G HA3 -0.032 3.951 3.960 0.039 0.000 0.212 517 G C 0.556 175.345 174.900 -0.184 0.000 1.142 517 G CA -0.054 44.888 45.100 -0.265 0.000 0.789 517 G HN 0.214 nan 8.290 nan 0.000 0.535 518 S N 0.298 115.869 115.700 -0.214 0.000 2.558 518 S HA 0.278 4.772 4.470 0.039 0.000 0.293 518 S C 1.614 176.149 174.600 -0.109 0.000 1.292 518 S CA 0.197 58.295 58.200 -0.170 0.000 1.063 518 S CB 1.389 64.467 63.200 -0.203 0.000 0.831 518 S HN 0.324 nan 8.310 nan 0.000 0.499 519 G N 1.616 110.399 108.800 -0.029 0.000 2.920 519 G HA2 0.366 4.349 3.960 0.039 0.000 0.208 519 G HA3 0.366 4.349 3.960 0.039 0.000 0.208 519 G C 0.047 175.120 174.900 0.288 0.000 1.159 519 G CA 0.132 45.315 45.100 0.138 0.000 0.784 519 G HN 0.676 nan 8.290 nan 0.000 0.535 520 F N -3.555 116.419 119.950 0.039 0.000 3.332 520 F HA 0.481 5.031 4.527 0.039 0.000 0.327 520 F C -0.716 175.127 175.800 0.073 0.000 1.128 520 F CA -1.401 56.625 58.000 0.043 0.000 0.854 520 F CB 0.541 39.558 39.000 0.029 0.000 1.500 520 F HN -0.314 nan 8.300 nan 0.000 0.485 521 T N 2.058 116.739 114.554 0.210 0.000 2.863 521 T HA 0.221 4.595 4.350 0.039 0.000 0.299 521 T C 0.355 175.100 174.700 0.074 0.000 0.973 521 T CA -0.002 62.157 62.100 0.098 0.000 0.994 521 T CB -0.760 68.204 68.868 0.161 0.000 0.961 521 T HN 0.643 nan 8.240 nan 0.000 0.552 522 N N 1.053 119.590 118.700 -0.272 0.000 2.235 522 N HA 0.066 4.829 4.740 0.039 0.000 0.209 522 N C -0.243 175.265 175.510 -0.003 0.000 1.122 522 N CA -0.479 52.472 53.050 -0.164 0.000 0.845 522 N CB 0.587 38.778 38.487 -0.494 0.000 1.004 522 N HN 0.253 nan 8.380 nan 0.000 0.499 523 T N 1.098 115.688 114.554 0.061 0.000 2.881 523 T HA 0.532 4.905 4.350 0.039 0.000 0.291 523 T C -0.540 174.214 174.700 0.090 0.000 0.990 523 T CA -0.754 61.409 62.100 0.105 0.000 0.976 523 T CB 1.430 70.458 68.868 0.266 0.000 0.970 523 T HN 0.345 nan 8.240 nan 0.000 0.438 524 M N 2.237 121.873 119.600 0.060 0.000 2.591 524 M HA 0.841 5.344 4.480 0.039 0.000 0.306 524 M C -1.081 175.238 176.300 0.031 0.000 1.190 524 M CA -0.543 54.782 55.300 0.042 0.000 0.889 524 M CB 2.284 34.900 32.600 0.027 0.000 1.728 524 M HN 0.356 nan 8.290 nan 0.000 0.458 525 R N 1.287 121.798 120.500 0.017 0.000 2.668 525 R HA 0.762 5.125 4.340 0.039 0.000 0.272 525 R C -1.767 174.522 176.300 -0.017 0.000 1.019 525 R CA -1.070 55.035 56.100 0.007 0.000 0.894 525 R CB 2.825 33.137 30.300 0.019 0.000 1.228 525 R HN 0.655 nan 8.270 nan 0.000 0.460 526 V N 3.141 123.041 119.914 -0.023 0.000 2.370 526 V HA 0.469 4.612 4.120 0.039 0.000 0.279 526 V C -0.424 175.644 176.094 -0.043 0.000 1.029 526 V CA -0.418 61.858 62.300 -0.040 0.000 0.870 526 V CB 1.556 33.357 31.823 -0.037 0.000 0.984 526 V HN 0.427 nan 8.190 nan 0.000 0.451 527 V N 6.720 126.595 119.914 -0.065 0.000 2.925 527 V HA 0.487 4.630 4.120 0.039 0.000 0.311 527 V C -2.678 173.358 176.094 -0.095 0.000 1.104 527 V CA -2.043 60.216 62.300 -0.068 0.000 0.954 527 V CB 2.583 34.367 31.823 -0.065 0.000 1.022 527 V HN 0.668 nan 8.190 nan 0.000 0.427 528 P HA 0.224 nan 4.420 nan 0.000 0.284 528 P C 0.672 177.911 177.300 -0.101 0.000 1.253 528 P CA -0.048 63.003 63.100 -0.083 0.000 0.800 528 P CB 1.520 33.191 31.700 -0.049 0.000 0.961 529 V N 4.236 124.068 119.914 -0.138 0.000 2.358 529 V HA -0.002 4.141 4.120 0.039 0.000 0.246 529 V C -1.462 174.614 176.094 -0.029 0.000 1.047 529 V CA 1.124 63.341 62.300 -0.137 0.000 1.035 529 V CB -1.940 29.751 31.823 -0.221 0.000 0.658 529 V HN 0.557 nan 8.190 nan 0.000 0.452 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.106 63.100 0.009 0.000 0.800 530 P CB 0.000 31.698 31.700 -0.003 0.000 0.726