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 2xau_1_B DATA FIRST_RESID 3 DATA SEQUENCE SKRRFSSEHP DPVETSIPEQ AAEIAEELSK QHPLPSEEPL VHHDAGEFKG DATA SEQUENCE LQRHHTSAEE AQKLEDGKIN PFTGREFTPK YVDILKIRRE LPVHAQRDEF DATA SEQUENCE LKLYQNNQIM VFVGETGSGK TTQIPQFVLF DEMPHLENTQ VACTQPRRVA DATA SEQUENCE AMSVAQRVAE EMDVKLGEEV GYSIRFENKT SNKTILKYMT DGMLLREAME DATA SEQUENCE DHDLSRYSCI ILDEAHERTL ATDILMGLLK QVVKRRPDLK IIIMSATLDA DATA SEQUENCE EKFQRYFNDA PLLAVPGRTY PVELYYTPEF QRDYLDSAIR TVLQIHATEE DATA SEQUENCE AGDILLFLTG EDEIEDAVRK ISLEGDQLVR EEGCGPLSVY PLYGSLPPHQ DATA SEQUENCE QQRIFEPAPE SHNGRPGRKV VISTNIAETS LTIDGIVYVV DPGFSKQKVY DATA SEQUENCE NPRIRVESLL VSPISKASAQ QRAGRAGRTR PGKCFRLYTE EAFQKELIEQ DATA SEQUENCE SYPEILRSNL SSTVLELKKL GIDDLVHFDF MDPPAPETMM RALEELNYLA DATA SEQUENCE CLDDEGNLTP LGRLASQFPL DPMLAVMLIG SFEFQCSQEI LTIVAMLSVP DATA SEQUENCE NVFIRPTKDK KRADDAKNIF AHPDGDHITL LNVYHAFKSD EAYEYGIHKW DATA SEQUENCE CRDHYLNYRS LSAADNIRSQ LERLMNRYNL ELNTTDYESP KYFDNIRKAL DATA SEQUENCE ASGFFMQVAK KRXXXXGYIT VKDNQDVLIH PSTVLGHDAE WVIYNEFVLT DATA SEQUENCE SKNYIRTVTS VRPEWLIEIA PAYYDLSNFQ KGDVKLSLER IKEKV 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.573 174.600 -0.045 0.000 1.055 3 S CA 0.000 58.180 58.200 -0.033 0.000 1.107 3 S CB 0.000 63.177 63.200 -0.038 0.000 0.593 4 K N 2.091 122.467 120.400 -0.040 0.000 2.484 4 K HA 0.123 4.443 4.320 0.001 0.000 0.280 4 K C 0.195 176.730 176.600 -0.109 0.000 1.013 4 K CA 0.094 56.352 56.287 -0.048 0.000 1.029 4 K CB 0.302 32.788 32.500 -0.023 0.000 0.902 4 K HN 0.552 nan 8.250 nan 0.000 0.481 5 R N 3.384 123.786 120.500 -0.162 0.000 2.590 5 R HA 0.055 4.396 4.340 0.001 0.000 0.274 5 R C -0.312 175.680 176.300 -0.514 0.000 1.061 5 R CA -0.066 55.824 56.100 -0.350 0.000 1.081 5 R CB 0.516 30.549 30.300 -0.445 0.000 0.984 5 R HN 0.702 nan 8.270 nan 0.000 0.448 6 R N 3.896 124.089 120.500 -0.513 0.000 2.346 6 R HA 0.268 4.609 4.340 0.001 0.000 0.311 6 R C -1.350 174.611 176.300 -0.565 0.000 0.983 6 R CA -0.431 55.432 56.100 -0.395 0.000 0.880 6 R CB 0.664 30.864 30.300 -0.167 0.000 1.100 6 R HN 0.402 nan 8.270 nan 0.000 0.453 7 F N 1.475 121.452 119.950 0.044 0.000 2.507 7 F HA 0.533 5.060 4.527 0.001 0.000 0.327 7 F C 0.287 176.121 175.800 0.057 0.000 1.068 7 F CA -0.282 57.755 58.000 0.063 0.000 0.965 7 F CB 2.254 41.281 39.000 0.044 0.000 1.192 7 F HN 0.700 nan 8.300 nan 0.000 0.476 8 S N -1.229 114.628 115.700 0.263 0.000 2.672 8 S HA 0.321 4.791 4.470 0.001 0.000 0.271 8 S C 0.301 174.950 174.600 0.083 0.000 1.171 8 S CA -0.157 58.121 58.200 0.131 0.000 0.817 8 S CB 0.952 64.205 63.200 0.089 0.000 1.150 8 S HN 0.622 nan 8.310 nan 0.000 0.478 9 S N 0.197 115.910 115.700 0.023 0.000 2.423 9 S HA -0.084 4.386 4.470 0.001 0.000 0.231 9 S C 1.189 175.752 174.600 -0.061 0.000 1.014 9 S CA 1.364 59.561 58.200 -0.005 0.000 0.965 9 S CB -0.769 62.424 63.200 -0.012 0.000 0.785 9 S HN 0.723 nan 8.310 nan 0.000 0.495 10 E N 0.964 121.067 120.200 -0.162 0.000 2.152 10 E HA 0.008 4.358 4.350 0.001 0.000 0.192 10 E C 0.191 176.473 176.600 -0.529 0.000 0.983 10 E CA 0.978 57.133 56.400 -0.408 0.000 0.818 10 E CB 0.002 29.322 29.700 -0.633 0.000 0.758 10 E HN 0.668 nan 8.360 nan 0.000 0.467 11 H N -0.637 118.502 119.070 0.116 0.000 2.488 11 H HA 0.287 4.843 4.556 0.001 0.000 0.237 11 H C -2.510 172.979 175.328 0.269 0.000 1.395 11 H CA -2.355 53.792 56.048 0.165 0.000 1.491 11 H CB 0.371 30.206 29.762 0.122 0.000 1.567 11 H HN 0.066 nan 8.280 nan 0.000 0.508 12 P HA 0.000 nan 4.420 nan 0.000 0.276 12 P C 0.416 177.755 177.300 0.064 0.000 1.252 12 P CA -0.409 62.803 63.100 0.188 0.000 0.802 12 P CB 1.236 32.979 31.700 0.071 0.000 1.035 13 D N 1.817 122.001 120.400 -0.360 0.000 2.358 13 D HA 0.038 4.679 4.640 0.001 0.000 0.258 13 D C -1.280 174.749 176.300 -0.451 0.000 1.223 13 D CA -2.012 51.338 54.000 -1.084 0.000 0.886 13 D CB 0.386 40.568 40.800 -1.031 0.000 1.120 13 D HN 0.149 nan 8.370 nan 0.000 0.482 14 P HA -0.135 nan 4.420 nan 0.000 0.220 14 P C 1.452 178.678 177.300 -0.124 0.000 1.148 14 P CA 0.452 63.490 63.100 -0.103 0.000 0.803 14 P CB 0.425 32.130 31.700 0.007 0.000 0.782 15 V N 0.941 120.739 119.914 -0.193 0.000 2.379 15 V HA -0.161 3.960 4.120 0.001 0.000 0.245 15 V C 2.706 178.724 176.094 -0.126 0.000 1.044 15 V CA 1.817 64.039 62.300 -0.130 0.000 1.036 15 V CB -1.268 30.483 31.823 -0.120 0.000 0.664 15 V HN 0.180 nan 8.190 nan 0.000 0.453 16 E N 0.797 120.893 120.200 -0.173 0.000 2.268 16 E HA -0.180 4.170 4.350 0.001 0.000 0.195 16 E C 1.821 178.362 176.600 -0.099 0.000 0.995 16 E CA 1.536 57.861 56.400 -0.124 0.000 0.836 16 E CB 0.040 29.662 29.700 -0.130 0.000 0.763 16 E HN 0.754 nan 8.360 nan 0.000 0.491 17 T N -1.611 112.882 114.554 -0.102 0.000 3.163 17 T HA 0.120 4.471 4.350 0.001 0.000 0.252 17 T C 0.591 175.249 174.700 -0.068 0.000 1.056 17 T CA -0.173 61.883 62.100 -0.074 0.000 0.947 17 T CB 0.503 69.335 68.868 -0.060 0.000 1.016 17 T HN -0.037 nan 8.240 nan 0.000 0.554 18 S N 0.541 116.201 115.700 -0.068 0.000 2.452 18 S HA 0.426 4.897 4.470 0.001 0.000 0.284 18 S C 1.088 175.645 174.600 -0.072 0.000 1.171 18 S CA -0.842 57.328 58.200 -0.051 0.000 1.064 18 S CB -0.018 63.164 63.200 -0.030 0.000 0.967 18 S HN 0.387 nan 8.310 nan 0.000 0.484 19 I N 6.192 126.718 120.570 -0.073 0.000 2.353 19 I HA 0.028 4.198 4.170 0.001 0.000 0.248 19 I C -0.977 175.026 176.117 -0.189 0.000 1.119 19 I CA 0.389 61.588 61.300 -0.169 0.000 1.417 19 I CB -0.808 37.041 38.000 -0.252 0.000 1.078 19 I HN 0.501 nan 8.210 nan 0.000 0.421 20 P HA -0.197 nan 4.420 nan 0.000 0.217 20 P C 1.388 178.629 177.300 -0.098 0.000 1.150 20 P CA 1.251 64.289 63.100 -0.104 0.000 0.832 20 P CB 0.082 31.765 31.700 -0.028 0.000 0.787 21 E N 0.375 120.534 120.200 -0.069 0.000 2.077 21 E HA -0.241 4.109 4.350 0.001 0.000 0.193 21 E C 2.002 178.563 176.600 -0.065 0.000 0.989 21 E CA 1.668 58.036 56.400 -0.054 0.000 0.800 21 E CB -0.880 28.792 29.700 -0.046 0.000 0.746 21 E HN 0.222 nan 8.360 nan 0.000 0.452 22 Q N -0.090 119.650 119.800 -0.099 0.000 2.077 22 Q HA -0.207 4.133 4.340 0.001 0.000 0.206 22 Q C 2.296 178.235 176.000 -0.102 0.000 0.989 22 Q CA 1.907 57.649 55.803 -0.103 0.000 0.853 22 Q CB -0.407 28.242 28.738 -0.149 0.000 0.907 22 Q HN 0.447 nan 8.270 nan 0.000 0.418 23 A N 0.964 123.656 122.820 -0.214 0.000 1.908 23 A HA -0.154 4.167 4.320 0.001 0.000 0.218 23 A C 2.274 179.886 177.584 0.047 0.000 1.181 23 A CA 1.709 53.587 52.037 -0.265 0.000 0.627 23 A CB -0.806 17.819 19.000 -0.626 0.000 0.818 23 A HN 0.423 nan 8.150 nan 0.000 0.445 24 A N -0.498 122.330 122.820 0.013 0.000 2.014 24 A HA -0.086 4.235 4.320 0.001 0.000 0.218 24 A C 1.888 179.520 177.584 0.080 0.000 1.163 24 A CA 1.422 53.501 52.037 0.069 0.000 0.652 24 A CB -0.383 18.635 19.000 0.030 0.000 0.808 24 A HN 0.646 nan 8.150 nan 0.000 0.449 25 E N -0.267 119.964 120.200 0.051 0.000 2.072 25 E HA -0.097 4.254 4.350 0.001 0.000 0.190 25 E C 1.800 178.444 176.600 0.073 0.000 0.982 25 E CA 1.004 57.432 56.400 0.047 0.000 0.803 25 E CB -0.238 29.474 29.700 0.019 0.000 0.755 25 E HN 0.684 nan 8.360 nan 0.000 0.453 26 I N 1.291 121.928 120.570 0.111 0.000 2.179 26 I HA -0.279 3.892 4.170 0.001 0.000 0.242 26 I C 2.557 178.753 176.117 0.133 0.000 1.088 26 I CA 1.046 62.431 61.300 0.141 0.000 1.357 26 I CB -0.274 37.880 38.000 0.257 0.000 1.051 26 I HN 0.078 nan 8.210 nan 0.000 0.409 27 A N 0.166 123.099 122.820 0.188 0.000 1.902 27 A HA -0.267 4.054 4.320 0.001 0.000 0.217 27 A C 2.327 179.993 177.584 0.135 0.000 1.181 27 A CA 1.962 54.100 52.037 0.168 0.000 0.623 27 A CB -0.627 18.519 19.000 0.244 0.000 0.818 27 A HN 0.535 nan 8.150 nan 0.000 0.443 28 E N -0.585 119.685 120.200 0.118 0.000 2.106 28 E HA -0.196 4.155 4.350 0.001 0.000 0.192 28 E C 1.691 178.332 176.600 0.068 0.000 0.984 28 E CA 1.099 57.559 56.400 0.099 0.000 0.806 28 E CB -0.068 29.677 29.700 0.075 0.000 0.750 28 E HN 0.479 nan 8.360 nan 0.000 0.458 29 E N 0.773 121.004 120.200 0.051 0.000 2.106 29 E HA -0.127 4.224 4.350 0.001 0.000 0.192 29 E C 2.292 178.895 176.600 0.005 0.000 0.984 29 E CA 0.570 56.983 56.400 0.022 0.000 0.806 29 E CB -0.246 29.463 29.700 0.016 0.000 0.750 29 E HN 0.381 nan 8.360 nan 0.000 0.458 30 L N 0.683 121.919 121.223 0.023 0.000 2.042 30 L HA -0.191 4.149 4.340 0.001 0.000 0.210 30 L C 2.421 179.308 176.870 0.029 0.000 1.076 30 L CA 1.195 56.044 54.840 0.014 0.000 0.749 30 L CB -0.354 41.724 42.059 0.030 0.000 0.893 30 L HN 0.027 nan 8.230 nan 0.000 0.432 31 S N -0.595 115.147 115.700 0.071 0.000 2.402 31 S HA -0.133 4.337 4.470 0.001 0.000 0.229 31 S C 1.808 176.439 174.600 0.051 0.000 1.021 31 S CA 1.022 59.282 58.200 0.100 0.000 0.974 31 S CB -0.083 63.206 63.200 0.147 0.000 0.800 31 S HN 0.341 nan 8.310 nan 0.000 0.484 32 K N 0.842 121.251 120.400 0.015 0.000 2.504 32 K HA 0.060 4.381 4.320 0.001 0.000 0.195 32 K C 1.693 178.241 176.600 -0.086 0.000 1.036 32 K CA 0.423 56.702 56.287 -0.013 0.000 0.984 32 K CB 0.033 32.531 32.500 -0.004 0.000 0.788 32 K HN 0.240 nan 8.250 nan 0.000 0.488 33 Q N -0.032 119.651 119.800 -0.195 0.000 2.369 33 Q HA -0.025 4.315 4.340 0.001 0.000 0.206 33 Q C 0.168 175.837 176.000 -0.550 0.000 0.963 33 Q CA 1.052 56.611 55.803 -0.408 0.000 0.894 33 Q CB 0.194 28.557 28.738 -0.624 0.000 0.965 33 Q HN 0.403 nan 8.270 nan 0.000 0.475 34 H N -0.207 118.862 119.070 -0.002 0.000 2.600 34 H HA 0.367 4.923 4.556 0.001 0.000 0.357 34 H C -2.164 173.160 175.328 -0.007 0.000 1.106 34 H CA -2.434 53.609 56.048 -0.008 0.000 1.193 34 H CB 1.140 30.892 29.762 -0.016 0.000 1.594 34 H HN -0.115 nan 8.280 nan 0.000 0.526 35 P HA -0.008 nan 4.420 nan 0.000 0.265 35 P C 0.345 177.675 177.300 0.049 0.000 1.187 35 P CA -0.014 63.118 63.100 0.054 0.000 0.766 35 P CB 0.765 32.489 31.700 0.039 0.000 0.820 36 L N 4.032 125.273 121.223 0.030 0.000 2.464 36 L HA 0.299 4.639 4.340 0.001 0.000 0.264 36 L C -1.288 175.582 176.870 0.000 0.000 1.199 36 L CA -1.617 53.231 54.840 0.014 0.000 0.818 36 L CB -0.430 41.638 42.059 0.016 0.000 1.102 36 L HN 0.382 nan 8.230 nan 0.000 0.473 37 P HA 0.213 nan 4.420 nan 0.000 0.281 37 P C -1.166 176.125 177.300 -0.015 0.000 1.281 37 P CA -0.634 62.455 63.100 -0.019 0.000 0.811 37 P CB 0.853 32.533 31.700 -0.034 0.000 1.154 38 S N -1.012 114.678 115.700 -0.016 0.000 2.489 38 S HA 0.246 4.717 4.470 0.001 0.000 0.277 38 S C 0.145 174.735 174.600 -0.016 0.000 1.230 38 S CA -0.693 57.499 58.200 -0.014 0.000 1.053 38 S CB 0.581 63.773 63.200 -0.013 0.000 0.955 38 S HN 0.488 nan 8.310 nan 0.000 0.488 39 E N 2.303 122.494 120.200 -0.015 0.000 2.417 39 E HA -0.029 4.322 4.350 0.001 0.000 0.261 39 E C 0.150 176.740 176.600 -0.017 0.000 1.000 39 E CA -0.027 56.364 56.400 -0.016 0.000 0.919 39 E CB 0.387 30.077 29.700 -0.016 0.000 0.955 39 E HN 0.699 nan 8.360 nan 0.000 0.455 40 E N 6.078 126.269 120.200 -0.016 0.000 2.376 40 E HA 0.108 4.459 4.350 0.001 0.000 0.266 40 E C -1.834 174.756 176.600 -0.016 0.000 1.009 40 E CA -1.720 54.672 56.400 -0.015 0.000 0.902 40 E CB 0.419 30.111 29.700 -0.013 0.000 0.972 40 E HN 0.428 nan 8.360 nan 0.000 0.439 41 P HA 0.105 nan 4.420 nan 0.000 0.274 41 P C -0.216 177.084 177.300 -0.001 0.000 1.231 41 P CA -0.179 62.915 63.100 -0.009 0.000 0.790 41 P CB 0.646 32.343 31.700 -0.004 0.000 0.951 42 L N 1.362 122.587 121.223 0.004 0.000 2.461 42 L HA 0.215 4.556 4.340 0.001 0.000 0.272 42 L C 0.897 177.805 176.870 0.062 0.000 1.197 42 L CA -0.281 54.576 54.840 0.028 0.000 0.836 42 L CB 0.230 42.306 42.059 0.029 0.000 1.105 42 L HN 0.239 nan 8.230 nan 0.000 0.477 43 V N -0.914 119.045 119.914 0.075 0.000 2.960 43 V HA 0.725 4.846 4.120 0.001 0.000 0.315 43 V C -0.575 175.625 176.094 0.176 0.000 1.087 43 V CA -0.573 61.774 62.300 0.079 0.000 0.982 43 V CB 1.827 33.663 31.823 0.022 0.000 1.039 43 V HN 0.931 nan 8.190 nan 0.000 0.437 44 H N 0.665 119.778 119.070 0.073 0.000 2.990 44 H HA 0.555 5.111 4.556 0.001 0.000 0.336 44 H C -1.780 173.643 175.328 0.158 0.000 1.306 44 H CA -0.540 55.594 56.048 0.142 0.000 1.118 44 H CB 1.831 31.705 29.762 0.186 0.000 1.856 44 H HN 0.984 nan 8.280 nan 0.000 0.538 45 H N 0.390 119.597 119.070 0.227 0.000 2.473 45 H HA 0.370 4.927 4.556 0.001 0.000 0.327 45 H C -1.205 174.304 175.328 0.301 0.000 1.105 45 H CA -0.080 56.059 56.048 0.151 0.000 1.280 45 H CB 1.021 30.860 29.762 0.128 0.000 1.450 45 H HN 0.647 nan 8.280 nan 0.000 0.492 46 D N 3.544 123.680 120.400 -0.440 0.000 2.318 46 D HA 0.225 4.866 4.640 0.001 0.000 0.233 46 D C -1.124 174.979 176.300 -0.329 0.000 1.348 46 D CA -0.302 53.597 54.000 -0.167 0.000 0.983 46 D CB 0.509 41.347 40.800 0.063 0.000 1.416 46 D HN 0.645 nan 8.370 nan 0.000 0.558 47 A N 2.101 124.747 122.820 -0.290 0.000 2.827 47 A HA 0.633 4.953 4.320 0.001 0.000 0.300 47 A C 1.414 178.982 177.584 -0.027 0.000 1.237 47 A CA 0.204 52.162 52.037 -0.131 0.000 0.964 47 A CB -0.338 18.630 19.000 -0.054 0.000 1.143 47 A HN 1.146 nan 8.150 nan 0.000 0.554 48 G N -0.210 108.589 108.800 -0.002 0.000 2.179 48 G HA2 -0.306 3.655 3.960 0.001 0.000 0.260 48 G HA3 -0.306 3.655 3.960 0.001 0.000 0.260 48 G C 0.629 175.545 174.900 0.026 0.000 0.977 48 G CA 0.743 45.855 45.100 0.020 0.000 0.641 48 G HN 0.528 nan 8.290 nan 0.000 0.533 49 E N -0.519 119.693 120.200 0.020 0.000 2.209 49 E HA 0.039 4.389 4.350 0.001 0.000 0.196 49 E C 1.530 177.994 176.600 -0.226 0.000 0.993 49 E CA 1.104 57.442 56.400 -0.103 0.000 0.819 49 E CB -0.217 29.390 29.700 -0.155 0.000 0.745 49 E HN 0.630 nan 8.360 nan 0.000 0.477 50 F N 0.138 120.084 119.950 -0.007 0.000 2.660 50 F HA 0.201 4.728 4.527 0.001 0.000 0.302 50 F C 1.785 177.590 175.800 0.007 0.000 1.103 50 F CA -0.087 57.915 58.000 0.003 0.000 1.340 50 F CB 0.193 39.184 39.000 -0.016 0.000 1.048 50 F HN -0.150 nan 8.300 nan 0.000 0.551 51 K N 0.692 121.153 120.400 0.102 0.000 2.160 51 K HA -0.148 4.173 4.320 0.001 0.000 0.206 51 K C 2.385 179.024 176.600 0.066 0.000 1.047 51 K CA 1.526 57.855 56.287 0.071 0.000 0.930 51 K CB -0.484 32.035 32.500 0.033 0.000 0.720 51 K HN 0.365 nan 8.250 nan 0.000 0.450 52 G N 0.489 109.325 108.800 0.060 0.000 2.432 52 G HA2 -0.096 3.865 3.960 0.001 0.000 0.219 52 G HA3 -0.096 3.865 3.960 0.001 0.000 0.219 52 G C 0.164 175.118 174.900 0.090 0.000 1.135 52 G CA 0.435 45.570 45.100 0.058 0.000 0.767 52 G HN 0.100 nan 8.290 nan 0.000 0.550 53 L N -0.013 121.299 121.223 0.148 0.000 2.312 53 L HA 0.405 4.745 4.340 0.001 0.000 0.281 53 L C 0.180 177.137 176.870 0.145 0.000 1.070 53 L CA -0.441 54.509 54.840 0.184 0.000 0.805 53 L CB 1.871 44.118 42.059 0.313 0.000 1.174 53 L HN 0.217 nan 8.230 nan 0.000 0.434 54 Q N 3.596 123.477 119.800 0.134 0.000 2.314 54 Q HA 0.333 4.673 4.340 0.001 0.000 0.259 54 Q C -0.089 176.002 176.000 0.153 0.000 0.951 54 Q CA -0.757 55.117 55.803 0.118 0.000 0.909 54 Q CB 0.838 29.631 28.738 0.092 0.000 1.236 54 Q HN 0.470 nan 8.270 nan 0.000 0.444 55 R N 3.259 123.789 120.500 0.050 0.000 2.474 55 R HA -0.189 4.152 4.340 0.001 0.000 0.290 55 R C -0.575 175.716 176.300 -0.016 0.000 0.918 55 R CA 1.524 57.570 56.100 -0.091 0.000 1.130 55 R CB -0.202 29.925 30.300 -0.289 0.000 0.881 55 R HN 1.065 nan 8.270 nan 0.000 0.416 56 H N 1.148 120.273 119.070 0.091 0.000 3.080 56 H HA -0.207 4.350 4.556 0.001 0.000 0.254 56 H C -0.331 174.808 175.328 -0.316 0.000 1.179 56 H CA 1.012 57.026 56.048 -0.057 0.000 1.144 56 H CB -1.201 28.474 29.762 -0.145 0.000 1.261 56 H HN 0.787 nan 8.280 nan 0.000 0.333 57 H N -0.885 118.282 119.070 0.161 0.000 2.885 57 H HA 0.156 4.713 4.556 0.001 0.000 0.254 57 H C 0.768 176.158 175.328 0.103 0.000 1.185 57 H CA 0.518 56.633 56.048 0.111 0.000 1.029 57 H CB 0.836 30.645 29.762 0.078 0.000 1.743 57 H HN 0.436 nan 8.280 nan 0.000 0.632 58 T N -1.075 113.592 114.554 0.189 0.000 2.788 58 T HA 0.575 4.925 4.350 0.001 0.000 0.280 58 T C 0.666 175.434 174.700 0.114 0.000 0.984 58 T CA -0.299 61.901 62.100 0.166 0.000 0.972 58 T CB 1.872 70.864 68.868 0.205 0.000 1.039 58 T HN 0.233 nan 8.240 nan 0.000 0.530 59 S N -0.752 114.996 115.700 0.080 0.000 2.697 59 S HA 0.716 5.186 4.470 0.001 0.000 0.289 59 S C 1.359 175.951 174.600 -0.013 0.000 1.149 59 S CA -0.540 57.681 58.200 0.035 0.000 0.850 59 S CB 1.113 64.331 63.200 0.030 0.000 1.151 59 S HN 1.141 nan 8.310 nan 0.000 0.491 60 A N 0.654 123.441 122.820 -0.056 0.000 1.902 60 A HA -0.082 4.239 4.320 0.001 0.000 0.217 60 A C 2.006 179.532 177.584 -0.097 0.000 1.181 60 A CA 1.948 53.911 52.037 -0.123 0.000 0.623 60 A CB -1.332 17.593 19.000 -0.126 0.000 0.818 60 A HN 0.995 nan 8.150 nan 0.000 0.443 61 E N -0.080 120.090 120.200 -0.051 0.000 2.058 61 E HA -0.259 4.091 4.350 0.001 0.000 0.194 61 E C 1.919 178.494 176.600 -0.041 0.000 0.997 61 E CA 1.609 57.986 56.400 -0.038 0.000 0.801 61 E CB -0.182 29.509 29.700 -0.015 0.000 0.746 61 E HN 0.754 nan 8.360 nan 0.000 0.450 62 E N 0.106 120.294 120.200 -0.021 0.000 2.058 62 E HA -0.219 4.131 4.350 0.001 0.000 0.194 62 E C 2.087 178.657 176.600 -0.049 0.000 0.997 62 E CA 1.042 57.440 56.400 -0.004 0.000 0.801 62 E CB -0.202 29.526 29.700 0.046 0.000 0.746 62 E HN 0.382 nan 8.360 nan 0.000 0.450 63 A N 1.162 123.913 122.820 -0.115 0.000 1.902 63 A HA -0.260 4.061 4.320 0.001 0.000 0.217 63 A C 2.060 179.418 177.584 -0.377 0.000 1.181 63 A CA 1.453 53.270 52.037 -0.368 0.000 0.623 63 A CB -0.465 18.220 19.000 -0.525 0.000 0.818 63 A HN 0.184 nan 8.150 nan 0.000 0.443 64 Q N -0.380 119.289 119.800 -0.219 0.000 2.170 64 Q HA -0.180 4.160 4.340 0.001 0.000 0.203 64 Q C 1.989 177.945 176.000 -0.075 0.000 0.976 64 Q CA 1.647 57.367 55.803 -0.137 0.000 0.858 64 Q CB -0.141 28.546 28.738 -0.085 0.000 0.907 64 Q HN 0.689 nan 8.270 nan 0.000 0.433 65 K N 0.309 120.675 120.400 -0.057 0.000 2.057 65 K HA -0.117 4.203 4.320 0.001 0.000 0.206 65 K C 2.045 178.650 176.600 0.009 0.000 1.050 65 K CA 0.994 57.272 56.287 -0.016 0.000 0.935 65 K CB -0.108 32.385 32.500 -0.011 0.000 0.715 65 K HN 0.171 nan 8.250 nan 0.000 0.439 66 L N 1.181 122.399 121.223 -0.008 0.000 2.083 66 L HA -0.173 4.167 4.340 0.001 0.000 0.209 66 L C 2.212 179.204 176.870 0.203 0.000 1.083 66 L CA 1.310 56.185 54.840 0.058 0.000 0.752 66 L CB -0.395 41.699 42.059 0.058 0.000 0.899 66 L HN 0.210 nan 8.230 nan 0.000 0.433 67 E N -0.058 120.212 120.200 0.118 0.000 2.153 67 E HA -0.208 4.142 4.350 0.001 0.000 0.194 67 E C 1.392 178.101 176.600 0.182 0.000 0.988 67 E CA 1.136 57.662 56.400 0.211 0.000 0.811 67 E CB 0.018 29.747 29.700 0.049 0.000 0.746 67 E HN 0.454 nan 8.360 nan 0.000 0.466 68 D N 0.083 120.552 120.400 0.114 0.000 2.333 68 D HA 0.022 4.662 4.640 0.001 0.000 0.208 68 D C 0.921 177.316 176.300 0.158 0.000 0.984 68 D CA 0.287 54.342 54.000 0.091 0.000 0.873 68 D CB -0.150 40.669 40.800 0.033 0.000 0.935 68 D HN 0.070 nan 8.370 nan 0.000 0.521 69 G N 0.536 109.458 108.800 0.204 0.000 2.750 69 G HA2 -0.069 3.892 3.960 0.001 0.000 0.250 69 G HA3 -0.069 3.892 3.960 0.001 0.000 0.250 69 G C 0.930 176.004 174.900 0.290 0.000 1.230 69 G CA -0.309 44.906 45.100 0.192 0.000 0.883 69 G HN 0.021 nan 8.290 nan 0.000 0.573 70 K N -1.030 119.472 120.400 0.170 0.000 2.314 70 K HA 0.138 4.459 4.320 0.001 0.000 0.198 70 K C 0.421 177.044 176.600 0.038 0.000 1.045 70 K CA 0.362 56.749 56.287 0.166 0.000 0.988 70 K CB 0.233 32.780 32.500 0.078 0.000 0.783 70 K HN 0.223 nan 8.250 nan 0.000 0.484 71 I N 2.113 122.621 120.570 -0.103 0.000 2.404 71 I HA 0.090 4.261 4.170 0.001 0.000 0.293 71 I C -0.070 175.617 176.117 -0.716 0.000 0.992 71 I CA -0.949 60.143 61.300 -0.347 0.000 1.149 71 I CB 1.251 39.132 38.000 -0.198 0.000 1.315 71 I HN -0.002 nan 8.210 nan 0.000 0.446 72 N N 9.397 127.390 118.700 -1.178 0.000 2.427 72 N HA 0.086 4.826 4.740 0.001 0.000 0.269 72 N C -1.578 173.641 175.510 -0.486 0.000 1.235 72 N CA -1.445 50.859 53.050 -1.243 0.000 0.934 72 N CB 1.136 39.033 38.487 -0.984 0.000 1.121 72 N HN 0.325 nan 8.380 nan 0.000 0.480 73 P HA -0.090 nan 4.420 nan 0.000 0.222 73 P C 0.783 177.970 177.300 -0.188 0.000 1.147 73 P CA 1.067 63.953 63.100 -0.358 0.000 0.790 73 P CB 0.005 31.274 31.700 -0.718 0.000 0.780 74 F N 0.553 120.536 119.950 0.055 0.000 2.615 74 F HA 0.022 4.550 4.527 0.001 0.000 0.297 74 F C 2.232 178.014 175.800 -0.031 0.000 1.124 74 F CA 1.599 59.617 58.000 0.030 0.000 1.451 74 F CB -0.983 37.945 39.000 -0.120 0.000 1.103 74 F HN 0.042 nan 8.300 nan 0.000 0.569 75 T N -5.451 109.041 114.554 -0.103 0.000 2.969 75 T HA 0.399 4.749 4.350 0.001 0.000 0.258 75 T C 1.753 175.913 174.700 -0.900 0.000 0.962 75 T CA 0.486 62.371 62.100 -0.358 0.000 0.903 75 T CB 0.350 69.092 68.868 -0.210 0.000 1.177 75 T HN 0.286 nan 8.240 nan 0.000 0.511 76 G N 2.254 110.619 108.800 -0.725 0.000 2.168 76 G HA2 -0.277 3.684 3.960 0.001 0.000 0.263 76 G HA3 -0.277 3.684 3.960 0.001 0.000 0.263 76 G C 0.146 174.864 174.900 -0.302 0.000 0.977 76 G CA 0.277 45.093 45.100 -0.474 0.000 0.659 76 G HN 0.732 nan 8.290 nan 0.000 0.533 77 R N 0.286 120.597 120.500 -0.315 0.000 2.573 77 R HA 0.518 4.859 4.340 0.001 0.000 0.272 77 R C 0.301 176.436 176.300 -0.275 0.000 1.009 77 R CA -0.679 55.285 56.100 -0.226 0.000 1.059 77 R CB 1.107 31.302 30.300 -0.174 0.000 1.112 77 R HN 0.418 nan 8.270 nan 0.000 0.517 78 E N 1.604 121.700 120.200 -0.173 0.000 2.373 78 E HA 0.035 4.386 4.350 0.001 0.000 0.267 78 E C -0.797 175.734 176.600 -0.115 0.000 1.032 78 E CA -0.419 55.893 56.400 -0.148 0.000 0.889 78 E CB 0.528 30.202 29.700 -0.042 0.000 0.984 78 E HN 0.190 nan 8.360 nan 0.000 0.425 79 F N 2.249 122.152 119.950 -0.079 0.000 2.563 79 F HA 0.023 4.550 4.527 0.001 0.000 0.363 79 F C 1.238 177.048 175.800 0.017 0.000 1.123 79 F CA 0.014 57.949 58.000 -0.109 0.000 1.307 79 F CB 0.698 39.623 39.000 -0.125 0.000 1.115 79 F HN 0.395 nan 8.300 nan 0.000 0.592 80 T N 0.720 115.455 114.554 0.302 0.000 2.902 80 T HA 0.354 4.705 4.350 0.001 0.000 0.280 80 T C -1.986 172.840 174.700 0.211 0.000 0.992 80 T CA -1.828 60.392 62.100 0.201 0.000 1.015 80 T CB 1.687 70.645 68.868 0.151 0.000 1.044 80 T HN 0.260 nan 8.240 nan 0.000 0.520 81 P HA -0.063 nan 4.420 nan 0.000 0.217 81 P C 1.440 178.786 177.300 0.076 0.000 1.150 81 P CA 1.165 64.322 63.100 0.095 0.000 0.832 81 P CB -0.045 31.691 31.700 0.060 0.000 0.787 82 K N -0.876 119.573 120.400 0.081 0.000 2.103 82 K HA -0.241 4.080 4.320 0.001 0.000 0.207 82 K C 2.225 178.856 176.600 0.052 0.000 1.048 82 K CA 1.434 57.753 56.287 0.053 0.000 0.930 82 K CB -1.502 31.030 32.500 0.053 0.000 0.716 82 K HN 0.108 nan 8.250 nan 0.000 0.444 83 Y N 2.034 122.329 120.300 -0.008 0.000 2.145 83 Y HA -0.196 4.354 4.550 0.001 0.000 0.286 83 Y C 1.958 177.782 175.900 -0.127 0.000 1.145 83 Y CA 1.531 59.594 58.100 -0.060 0.000 1.148 83 Y CB -0.265 38.167 38.460 -0.047 0.000 0.981 83 Y HN -0.111 nan 8.280 nan 0.000 0.507 84 V N 0.926 120.730 119.914 -0.182 0.000 2.407 84 V HA -0.295 3.825 4.120 0.001 0.000 0.248 84 V C 2.007 177.942 176.094 -0.264 0.000 1.055 84 V CA 2.197 64.328 62.300 -0.282 0.000 1.049 84 V CB -0.677 31.116 31.823 -0.049 0.000 0.662 84 V HN 0.434 nan 8.190 nan 0.000 0.455 85 D N 0.032 120.335 120.400 -0.161 0.000 2.097 85 D HA -0.088 4.553 4.640 0.001 0.000 0.197 85 D C 2.089 178.291 176.300 -0.164 0.000 0.984 85 D CA 1.303 55.227 54.000 -0.126 0.000 0.826 85 D CB -0.187 40.571 40.800 -0.071 0.000 0.973 85 D HN 0.387 nan 8.370 nan 0.000 0.460 86 I N 0.520 120.977 120.570 -0.190 0.000 2.286 86 I HA -0.226 3.945 4.170 0.001 0.000 0.248 86 I C 2.314 178.283 176.117 -0.247 0.000 1.115 86 I CA 0.390 61.580 61.300 -0.183 0.000 1.392 86 I CB -0.055 37.857 38.000 -0.147 0.000 1.065 86 I HN 0.000 nan 8.210 nan 0.000 0.418 87 L N 1.173 122.156 121.223 -0.400 0.000 2.046 87 L HA -0.212 4.128 4.340 0.001 0.000 0.208 87 L C 2.426 179.132 176.870 -0.274 0.000 1.077 87 L CA 1.898 56.490 54.840 -0.413 0.000 0.747 87 L CB -0.657 41.003 42.059 -0.666 0.000 0.896 87 L HN 0.081 nan 8.230 nan 0.000 0.432 88 K N -0.464 119.797 120.400 -0.233 0.000 2.057 88 K HA -0.171 4.150 4.320 0.001 0.000 0.207 88 K C 2.084 178.588 176.600 -0.159 0.000 1.049 88 K CA 1.970 58.154 56.287 -0.171 0.000 0.931 88 K CB -0.223 32.199 32.500 -0.130 0.000 0.714 88 K HN 0.414 nan 8.250 nan 0.000 0.440 89 I N 1.488 121.970 120.570 -0.147 0.000 2.163 89 I HA -0.281 3.889 4.170 0.001 0.000 0.240 89 I C 2.452 178.484 176.117 -0.142 0.000 1.081 89 I CA 1.358 62.586 61.300 -0.119 0.000 1.353 89 I CB -0.297 37.645 38.000 -0.096 0.000 1.054 89 I HN 0.223 nan 8.210 nan 0.000 0.407 90 R N 1.234 121.636 120.500 -0.163 0.000 2.193 90 R HA -0.127 4.213 4.340 0.001 0.000 0.229 90 R C 2.031 178.098 176.300 -0.388 0.000 1.110 90 R CA 1.073 57.076 56.100 -0.161 0.000 0.988 90 R CB -0.618 29.634 30.300 -0.080 0.000 0.871 90 R HN 0.304 nan 8.270 nan 0.000 0.458 91 R N 0.961 121.158 120.500 -0.505 0.000 2.285 91 R HA -0.052 4.289 4.340 0.001 0.000 0.213 91 R C 1.284 177.372 176.300 -0.353 0.000 1.068 91 R CA 1.307 56.966 56.100 -0.736 0.000 1.004 91 R CB 0.028 30.088 30.300 -0.400 0.000 0.873 91 R HN 0.526 nan 8.270 nan 0.000 0.467 92 E N 0.256 120.340 120.200 -0.192 0.000 2.371 92 E HA 0.005 4.356 4.350 0.001 0.000 0.194 92 E C 0.043 176.641 176.600 -0.004 0.000 1.012 92 E CA -0.018 56.340 56.400 -0.069 0.000 0.860 92 E CB 0.192 29.863 29.700 -0.047 0.000 0.811 92 E HN 0.232 nan 8.360 nan 0.000 0.502 93 L N 1.896 123.128 121.223 0.015 0.000 2.485 93 L HA -0.016 4.325 4.340 0.001 0.000 0.275 93 L C -1.460 175.503 176.870 0.155 0.000 1.207 93 L CA -1.131 53.769 54.840 0.100 0.000 0.855 93 L CB 0.168 42.313 42.059 0.144 0.000 1.114 93 L HN -0.132 nan 8.230 nan 0.000 0.485 94 P HA -0.182 nan 4.420 nan 0.000 0.217 94 P C 1.597 178.998 177.300 0.168 0.000 1.148 94 P CA 1.061 64.229 63.100 0.113 0.000 0.828 94 P CB 0.016 31.761 31.700 0.074 0.000 0.783 95 V N -3.406 116.631 119.914 0.203 0.000 2.594 95 V HA -0.253 3.867 4.120 0.001 0.000 0.253 95 V C 2.168 178.444 176.094 0.303 0.000 1.069 95 V CA 1.745 64.197 62.300 0.254 0.000 1.082 95 V CB -1.787 30.137 31.823 0.169 0.000 0.680 95 V HN 0.218 nan 8.190 nan 0.000 0.469 96 H N 1.127 120.353 119.070 0.259 0.000 2.387 96 H HA -0.007 4.549 4.556 0.001 0.000 0.299 96 H C 2.501 177.896 175.328 0.112 0.000 1.090 96 H CA 1.808 57.995 56.048 0.232 0.000 1.332 96 H CB -0.091 29.769 29.762 0.162 0.000 1.386 96 H HN 0.592 nan 8.280 nan 0.000 0.516 97 A N 0.818 123.761 122.820 0.204 0.000 2.024 97 A HA -0.167 4.154 4.320 0.001 0.000 0.220 97 A C 1.856 179.501 177.584 0.102 0.000 1.164 97 A CA 1.305 53.414 52.037 0.119 0.000 0.643 97 A CB -0.178 18.876 19.000 0.090 0.000 0.806 97 A HN 0.452 nan 8.150 nan 0.000 0.451 98 Q N -1.567 118.317 119.800 0.139 0.000 2.186 98 Q HA 0.216 4.556 4.340 0.001 0.000 0.241 98 Q C 1.461 177.575 176.000 0.190 0.000 0.849 98 Q CA -0.313 55.577 55.803 0.145 0.000 1.053 98 Q CB 0.402 29.226 28.738 0.143 0.000 1.146 98 Q HN 0.663 nan 8.270 nan 0.000 0.475 99 R N 0.861 121.407 120.500 0.077 0.000 2.083 99 R HA -0.172 4.169 4.340 0.001 0.000 0.237 99 R C 1.029 177.356 176.300 0.044 0.000 1.137 99 R CA 1.823 57.873 56.100 -0.084 0.000 0.951 99 R CB 0.236 30.211 30.300 -0.541 0.000 0.851 99 R HN 0.244 nan 8.270 nan 0.000 0.434 100 D N -0.034 120.378 120.400 0.021 0.000 2.144 100 D HA -0.175 4.466 4.640 0.001 0.000 0.200 100 D C 1.656 178.000 176.300 0.072 0.000 0.978 100 D CA 1.103 55.124 54.000 0.036 0.000 0.833 100 D CB -0.107 40.703 40.800 0.016 0.000 0.961 100 D HN 0.439 nan 8.370 nan 0.000 0.470 101 E N -0.271 119.987 120.200 0.097 0.000 2.110 101 E HA -0.199 4.152 4.350 0.001 0.000 0.193 101 E C 1.984 178.672 176.600 0.147 0.000 0.988 101 E CA 0.608 57.067 56.400 0.098 0.000 0.804 101 E CB -0.157 29.598 29.700 0.092 0.000 0.745 101 E HN 0.206 nan 8.360 nan 0.000 0.458 102 F N 1.022 121.049 119.950 0.128 0.000 2.113 102 F HA -0.076 4.452 4.527 0.001 0.000 0.297 102 F C 1.800 177.713 175.800 0.187 0.000 1.103 102 F CA 1.192 59.323 58.000 0.219 0.000 1.248 102 F CB -0.252 38.960 39.000 0.353 0.000 0.999 102 F HN -0.018 nan 8.300 nan 0.000 0.475 103 L N 0.080 121.263 121.223 -0.066 0.000 2.083 103 L HA -0.190 4.151 4.340 0.001 0.000 0.209 103 L C 2.455 179.258 176.870 -0.112 0.000 1.083 103 L CA 1.371 56.130 54.840 -0.136 0.000 0.752 103 L CB -0.648 41.436 42.059 0.040 0.000 0.899 103 L HN 0.085 nan 8.230 nan 0.000 0.433 104 K N 0.552 120.914 120.400 -0.063 0.000 2.026 104 K HA -0.127 4.194 4.320 0.001 0.000 0.208 104 K C 1.976 178.522 176.600 -0.090 0.000 1.048 104 K CA 1.446 57.702 56.287 -0.053 0.000 0.929 104 K CB -0.290 32.200 32.500 -0.016 0.000 0.713 104 K HN 0.146 nan 8.250 nan 0.000 0.439 105 L N -0.669 120.492 121.223 -0.103 0.000 2.056 105 L HA -0.182 4.158 4.340 0.001 0.000 0.207 105 L C 2.234 179.010 176.870 -0.157 0.000 1.078 105 L CA 1.432 56.213 54.840 -0.099 0.000 0.749 105 L CB -0.553 41.485 42.059 -0.036 0.000 0.901 105 L HN 0.250 nan 8.230 nan 0.000 0.433 106 Y N 1.147 121.186 120.300 -0.434 0.000 2.145 106 Y HA -0.293 4.258 4.550 0.001 0.000 0.286 106 Y C 2.707 178.420 175.900 -0.313 0.000 1.145 106 Y CA 1.720 59.565 58.100 -0.424 0.000 1.148 106 Y CB -0.203 37.868 38.460 -0.649 0.000 0.981 106 Y HN 0.177 nan 8.280 nan 0.000 0.507 107 Q N -0.407 119.259 119.800 -0.224 0.000 2.167 107 Q HA -0.141 4.200 4.340 0.001 0.000 0.202 107 Q C 1.070 176.873 176.000 -0.328 0.000 0.970 107 Q CA 1.324 56.945 55.803 -0.304 0.000 0.855 107 Q CB -0.022 28.625 28.738 -0.150 0.000 0.911 107 Q HN 0.478 nan 8.270 nan 0.000 0.438 108 N N 0.160 118.719 118.700 -0.235 0.000 2.203 108 N HA 0.116 4.856 4.740 0.001 0.000 0.207 108 N C -0.637 174.772 175.510 -0.169 0.000 1.130 108 N CA 0.191 53.136 53.050 -0.175 0.000 0.861 108 N CB 0.607 39.029 38.487 -0.109 0.000 1.005 108 N HN 0.163 nan 8.380 nan 0.000 0.507 109 N N 0.144 118.709 118.700 -0.226 0.000 2.277 109 N HA 0.075 4.815 4.740 0.001 0.000 0.286 109 N C 0.330 175.693 175.510 -0.244 0.000 1.140 109 N CA -0.317 52.625 53.050 -0.181 0.000 0.799 109 N CB 2.579 40.994 38.487 -0.121 0.000 1.596 109 N HN -0.036 nan 8.380 nan 0.000 0.473 110 Q N 1.049 120.743 119.800 -0.177 0.000 2.163 110 Q HA 0.256 4.597 4.340 0.001 0.000 0.198 110 Q C -0.199 175.711 176.000 -0.150 0.000 0.954 110 Q CA 0.936 56.631 55.803 -0.180 0.000 0.851 110 Q CB 0.482 29.151 28.738 -0.116 0.000 0.928 110 Q HN 0.568 nan 8.270 nan 0.000 0.459 111 I N 1.855 122.358 120.570 -0.112 0.000 2.498 111 I HA 0.353 4.524 4.170 0.001 0.000 0.290 111 I C -0.505 175.562 176.117 -0.083 0.000 1.032 111 I CA -0.885 60.340 61.300 -0.125 0.000 1.073 111 I CB 1.972 39.885 38.000 -0.146 0.000 1.251 111 I HN 0.163 nan 8.210 nan 0.000 0.426 112 M N 4.932 124.494 119.600 -0.062 0.000 2.631 112 M HA 0.796 5.276 4.480 0.001 0.000 0.288 112 M C -1.787 174.537 176.300 0.040 0.000 1.260 112 M CA -0.926 54.385 55.300 0.018 0.000 0.842 112 M CB 2.521 35.167 32.600 0.077 0.000 1.743 112 M HN 0.146 nan 8.290 nan 0.000 0.461 113 V N 1.422 121.398 119.914 0.104 0.000 2.555 113 V HA 0.612 4.733 4.120 0.001 0.000 0.302 113 V C -1.648 174.569 176.094 0.205 0.000 1.038 113 V CA -0.381 61.994 62.300 0.125 0.000 0.887 113 V CB 1.898 33.817 31.823 0.159 0.000 0.991 113 V HN 0.766 nan 8.190 nan 0.000 0.434 114 F N 5.647 125.637 119.950 0.067 0.000 2.553 114 F HA 0.726 5.254 4.527 0.001 0.000 0.335 114 F C -0.394 175.443 175.800 0.062 0.000 1.148 114 F CA -0.660 57.392 58.000 0.086 0.000 0.963 114 F CB 1.636 40.688 39.000 0.087 0.000 1.217 114 F HN 0.427 nan 8.300 nan 0.000 0.441 115 V N 3.137 123.028 119.914 -0.038 0.000 2.628 115 V HA 1.092 5.212 4.120 0.001 0.000 0.306 115 V C -0.505 175.579 176.094 -0.017 0.000 1.045 115 V CA -0.276 62.060 62.300 0.059 0.000 0.905 115 V CB 1.126 32.982 31.823 0.054 0.000 0.997 115 V HN 1.095 nan 8.190 nan 0.000 0.436 116 G N 2.317 111.162 108.800 0.076 0.000 2.556 116 G HA2 0.459 4.420 3.960 0.001 0.000 0.294 116 G HA3 0.459 4.420 3.960 0.001 0.000 0.294 116 G C -1.242 173.691 174.900 0.054 0.000 1.516 116 G CA -0.843 44.294 45.100 0.061 0.000 0.824 116 G HN 0.901 nan 8.290 nan 0.000 0.535 117 E N 0.306 120.524 120.200 0.031 0.000 2.422 117 E HA 0.280 4.631 4.350 0.001 0.000 0.260 117 E C 0.353 176.974 176.600 0.035 0.000 1.108 117 E CA 0.151 56.561 56.400 0.016 0.000 0.943 117 E CB 0.515 30.223 29.700 0.012 0.000 0.961 117 E HN 0.351 nan 8.360 nan 0.000 0.443 118 T N 1.386 115.957 114.554 0.028 0.000 2.933 118 T HA 0.192 4.543 4.350 0.001 0.000 0.306 118 T C 1.119 175.852 174.700 0.054 0.000 1.045 118 T CA 1.049 63.179 62.100 0.051 0.000 1.143 118 T CB 0.378 69.285 68.868 0.064 0.000 1.003 118 T HN 0.805 nan 8.240 nan 0.000 0.540 119 G N 2.173 111.004 108.800 0.052 0.000 2.213 119 G HA2 -0.338 3.622 3.960 0.001 0.000 0.236 119 G HA3 -0.338 3.622 3.960 0.001 0.000 0.236 119 G C 1.209 176.134 174.900 0.043 0.000 0.991 119 G CA 0.706 45.834 45.100 0.047 0.000 0.629 119 G HN 1.010 nan 8.290 nan 0.000 0.517 120 S N -0.142 115.588 115.700 0.050 0.000 2.489 120 S HA 0.411 4.881 4.470 0.001 0.000 0.228 120 S C 2.080 176.716 174.600 0.060 0.000 0.995 120 S CA 1.546 59.784 58.200 0.063 0.000 0.934 120 S CB 0.232 63.481 63.200 0.082 0.000 0.771 120 S HN 2.404 nan 8.310 nan 0.000 0.522 121 G N 1.035 109.847 108.800 0.019 0.000 2.159 121 G HA2 -0.188 3.773 3.960 0.001 0.000 0.170 121 G HA3 -0.188 3.773 3.960 0.001 0.000 0.170 121 G C 0.651 175.458 174.900 -0.154 0.000 1.007 121 G CA 0.139 45.214 45.100 -0.042 0.000 0.672 121 G HN 0.460 nan 8.290 nan 0.000 0.507 122 K N -0.171 120.159 120.400 -0.116 0.000 1.985 122 K HA -0.057 4.263 4.320 0.001 0.000 0.210 122 K C 2.471 178.903 176.600 -0.281 0.000 1.047 122 K CA 1.963 58.096 56.287 -0.257 0.000 0.932 122 K CB -0.340 32.098 32.500 -0.104 0.000 0.716 122 K HN 0.284 nan 8.250 nan 0.000 0.439 123 T N 0.574 115.043 114.554 -0.141 0.000 2.896 123 T HA -0.093 4.258 4.350 0.001 0.000 0.263 123 T C 2.124 176.789 174.700 -0.058 0.000 1.050 123 T CA 1.737 63.795 62.100 -0.069 0.000 1.140 123 T CB -0.246 68.603 68.868 -0.033 0.000 0.877 123 T HN 0.492 nan 8.240 nan 0.000 0.457 124 T N 0.405 114.885 114.554 -0.123 0.000 2.894 124 T HA 0.002 4.353 4.350 0.001 0.000 0.258 124 T C 1.924 176.528 174.700 -0.160 0.000 1.043 124 T CA 0.467 62.501 62.100 -0.110 0.000 1.141 124 T CB -0.077 68.723 68.868 -0.113 0.000 0.873 124 T HN 0.146 nan 8.240 nan 0.000 0.449 125 Q N 0.556 120.162 119.800 -0.323 0.000 2.200 125 Q HA 0.259 4.600 4.340 0.001 0.000 0.197 125 Q C 2.551 177.919 176.000 -1.053 0.000 0.953 125 Q CA 0.447 55.878 55.803 -0.620 0.000 0.851 125 Q CB -0.327 27.967 28.738 -0.741 0.000 0.938 125 Q HN 0.411 nan 8.270 nan 0.000 0.488 126 I N 1.672 121.645 120.570 -0.995 0.000 2.208 126 I HA -0.173 3.997 4.170 0.001 0.000 0.245 126 I C -0.601 175.153 176.117 -0.604 0.000 1.097 126 I CA 1.166 61.807 61.300 -1.097 0.000 1.363 126 I CB -2.321 34.998 38.000 -1.135 0.000 1.051 126 I HN 0.069 nan 8.210 nan 0.000 0.413 127 P HA -0.128 nan 4.420 nan 0.000 0.221 127 P C 1.740 178.964 177.300 -0.127 0.000 1.150 127 P CA 1.236 64.201 63.100 -0.225 0.000 0.800 127 P CB -0.047 31.523 31.700 -0.217 0.000 0.787 128 Q N -1.736 118.007 119.800 -0.096 0.000 2.079 128 Q HA -0.129 4.212 4.340 0.001 0.000 0.200 128 Q C 1.828 178.074 176.000 0.410 0.000 0.974 128 Q CA 1.140 57.015 55.803 0.120 0.000 0.840 128 Q CB -0.544 28.313 28.738 0.199 0.000 0.898 128 Q HN 0.205 nan 8.270 nan 0.000 0.430 129 F N 0.233 120.236 119.950 0.088 0.000 2.161 129 F HA -0.190 4.338 4.527 0.001 0.000 0.300 129 F C 2.286 178.204 175.800 0.197 0.000 1.089 129 F CA 0.551 58.642 58.000 0.151 0.000 1.282 129 F CB -1.041 37.932 39.000 -0.046 0.000 1.010 129 F HN -0.094 nan 8.300 nan 0.000 0.485 130 V N -0.532 119.518 119.914 0.227 0.000 2.358 130 V HA -0.234 3.887 4.120 0.001 0.000 0.246 130 V C 2.444 178.597 176.094 0.098 0.000 1.047 130 V CA 0.939 63.244 62.300 0.008 0.000 1.035 130 V CB -0.654 31.087 31.823 -0.136 0.000 0.658 130 V HN 0.145 nan 8.190 nan 0.000 0.452 131 L N -0.959 120.327 121.223 0.105 0.000 2.127 131 L HA -0.133 4.207 4.340 0.001 0.000 0.211 131 L C 2.084 179.044 176.870 0.150 0.000 1.089 131 L CA 2.046 56.915 54.840 0.048 0.000 0.757 131 L CB -0.856 41.106 42.059 -0.161 0.000 0.899 131 L HN 0.263 nan 8.230 nan 0.000 0.434 132 F N -1.034 119.133 119.950 0.362 0.000 2.293 132 F HA -0.120 4.408 4.527 0.001 0.000 0.297 132 F C 2.311 178.271 175.800 0.267 0.000 1.089 132 F CA 1.316 59.559 58.000 0.405 0.000 1.377 132 F CB -0.266 38.964 39.000 0.382 0.000 1.051 132 F HN 0.147 nan 8.300 nan 0.000 0.511 133 D N -0.581 120.042 120.400 0.370 0.000 2.305 133 D HA -0.112 4.528 4.640 0.001 0.000 0.206 133 D C 1.920 178.367 176.300 0.244 0.000 0.974 133 D CA 0.688 54.868 54.000 0.300 0.000 0.871 133 D CB 0.206 41.184 40.800 0.296 0.000 0.947 133 D HN 0.131 nan 8.370 nan 0.000 0.516 134 E N -0.295 120.031 120.200 0.209 0.000 2.340 134 E HA 0.162 4.513 4.350 0.001 0.000 0.198 134 E C 0.383 176.984 176.600 0.001 0.000 0.961 134 E CA 0.154 56.651 56.400 0.162 0.000 0.905 134 E CB -0.146 29.714 29.700 0.267 0.000 0.884 134 E HN 0.142 nan 8.360 nan 0.000 0.491 135 M N 1.471 121.060 119.600 -0.017 0.000 2.405 135 M HA -0.179 4.302 4.480 0.001 0.000 0.181 135 M C -1.959 174.279 176.300 -0.104 0.000 0.878 135 M CA 0.305 55.513 55.300 -0.154 0.000 0.537 135 M CB -0.553 31.788 32.600 -0.432 0.000 1.090 135 M HN 0.183 nan 8.290 nan 0.000 0.874 136 P HA -0.181 nan 4.420 nan 0.000 0.219 136 P C 1.146 178.424 177.300 -0.036 0.000 1.150 136 P CA 1.832 64.939 63.100 0.013 0.000 0.814 136 P CB -0.367 31.364 31.700 0.052 0.000 0.787 137 H N -0.284 118.680 119.070 -0.177 0.000 2.521 137 H HA 0.053 4.610 4.556 0.001 0.000 0.286 137 H C 1.738 176.726 175.328 -0.567 0.000 1.034 137 H CA 0.539 56.440 56.048 -0.245 0.000 1.278 137 H CB -1.426 28.279 29.762 -0.096 0.000 1.386 137 H HN 0.178 nan 8.280 nan 0.000 0.567 138 L N 0.992 121.662 121.223 -0.922 0.000 2.418 138 L HA 0.022 4.362 4.340 0.001 0.000 0.218 138 L C 1.322 177.931 176.870 -0.436 0.000 1.125 138 L CA 0.978 55.343 54.840 -0.792 0.000 0.835 138 L CB -0.036 41.620 42.059 -0.672 0.000 0.953 138 L HN 0.388 nan 8.230 nan 0.000 0.454 139 E N -1.156 118.857 120.200 -0.312 0.000 2.736 139 E HA 0.052 4.403 4.350 0.001 0.000 0.208 139 E C -0.026 176.496 176.600 -0.129 0.000 0.996 139 E CA -0.263 56.031 56.400 -0.176 0.000 1.104 139 E CB -0.076 29.545 29.700 -0.131 0.000 1.111 139 E HN 0.184 nan 8.360 nan 0.000 0.455 140 N N 0.819 119.429 118.700 -0.151 0.000 2.740 140 N HA -0.178 4.563 4.740 0.001 0.000 0.248 140 N C -1.118 174.346 175.510 -0.077 0.000 1.062 140 N CA 1.551 54.552 53.050 -0.082 0.000 0.704 140 N CB -1.318 37.141 38.487 -0.046 0.000 0.968 140 N HN 0.690 nan 8.380 nan 0.000 0.547 141 T N -4.201 110.305 114.554 -0.079 0.000 2.804 141 T HA 0.719 5.070 4.350 0.001 0.000 0.290 141 T C -0.391 174.276 174.700 -0.056 0.000 1.099 141 T CA -0.831 61.221 62.100 -0.079 0.000 1.011 141 T CB 2.214 71.056 68.868 -0.043 0.000 1.291 141 T HN 0.165 nan 8.240 nan 0.000 0.523 142 Q N -0.559 119.203 119.800 -0.063 0.000 2.587 142 Q HA 0.750 5.090 4.340 0.001 0.000 0.293 142 Q C -1.518 174.594 176.000 0.187 0.000 1.083 142 Q CA -1.179 54.639 55.803 0.025 0.000 0.792 142 Q CB 2.818 31.543 28.738 -0.022 0.000 1.484 142 Q HN 0.556 nan 8.270 nan 0.000 0.446 143 V N 0.802 120.808 119.914 0.153 0.000 2.495 143 V HA 0.702 4.822 4.120 0.001 0.000 0.298 143 V C -0.863 175.235 176.094 0.007 0.000 1.031 143 V CA -0.642 61.718 62.300 0.100 0.000 0.871 143 V CB 1.464 33.274 31.823 -0.023 0.000 0.988 143 V HN 0.814 nan 8.190 nan 0.000 0.432 144 A N 3.532 126.258 122.820 -0.156 0.000 2.305 144 A HA 0.693 5.014 4.320 0.001 0.000 0.322 144 A C -0.410 176.991 177.584 -0.305 0.000 1.187 144 A CA -0.386 51.427 52.037 -0.373 0.000 0.825 144 A CB 1.100 19.600 19.000 -0.834 0.000 1.164 144 A HN 0.990 nan 8.150 nan 0.000 0.498 145 C N 3.227 122.334 119.300 -0.322 0.000 2.346 145 C HA 0.756 5.217 4.460 0.001 0.000 0.326 145 C C 0.404 175.343 174.990 -0.083 0.000 1.224 145 C CA 0.055 58.934 59.018 -0.231 0.000 1.408 145 C CB -0.113 27.416 27.740 -0.351 0.000 2.089 145 C HN 1.030 nan 8.230 nan 0.000 0.456 146 T N 3.972 118.489 114.554 -0.061 0.000 2.875 146 T HA 0.682 5.032 4.350 0.001 0.000 0.284 146 T C -0.759 173.950 174.700 0.015 0.000 0.995 146 T CA -0.422 61.665 62.100 -0.022 0.000 1.060 146 T CB 1.528 70.371 68.868 -0.042 0.000 0.967 146 T HN 0.737 nan 8.240 nan 0.000 0.476 147 Q N 1.907 121.725 119.800 0.030 0.000 2.356 147 Q HA 0.340 4.681 4.340 0.001 0.000 0.270 147 Q C -2.226 173.780 176.000 0.010 0.000 1.058 147 Q CA -2.505 53.313 55.803 0.025 0.000 0.802 147 Q CB 2.107 30.868 28.738 0.039 0.000 1.303 147 Q HN 0.376 nan 8.270 nan 0.000 0.444 148 P HA -0.076 nan 4.420 nan 0.000 0.220 148 P C -0.355 176.952 177.300 0.011 0.000 1.148 148 P CA 1.230 64.330 63.100 -0.000 0.000 0.803 148 P CB 0.437 32.126 31.700 -0.017 0.000 0.782 149 R N -0.748 119.760 120.500 0.014 0.000 2.437 149 R HA 0.329 4.670 4.340 0.001 0.000 0.310 149 R C 1.364 177.666 176.300 0.004 0.000 0.955 149 R CA -0.702 55.409 56.100 0.019 0.000 0.851 149 R CB 1.392 31.711 30.300 0.031 0.000 1.161 149 R HN -0.113 nan 8.270 nan 0.000 0.446 150 R N 2.043 122.544 120.500 0.001 0.000 2.133 150 R HA -0.204 4.137 4.340 0.001 0.000 0.245 150 R C 1.161 177.421 176.300 -0.066 0.000 1.137 150 R CA 2.155 58.238 56.100 -0.028 0.000 0.947 150 R CB -0.241 30.053 30.300 -0.009 0.000 0.865 150 R HN 0.478 nan 8.270 nan 0.000 0.437 151 V N 0.884 120.774 119.914 -0.040 0.000 2.427 151 V HA -0.178 3.943 4.120 0.001 0.000 0.248 151 V C 2.506 178.569 176.094 -0.052 0.000 1.051 151 V CA 1.761 64.028 62.300 -0.055 0.000 1.048 151 V CB -0.573 31.234 31.823 -0.027 0.000 0.666 151 V HN 0.604 nan 8.190 nan 0.000 0.456 152 A N 0.034 122.837 122.820 -0.028 0.000 1.898 152 A HA -0.075 4.246 4.320 0.001 0.000 0.216 152 A C 2.434 179.970 177.584 -0.080 0.000 1.181 152 A CA 1.947 53.966 52.037 -0.029 0.000 0.620 152 A CB -0.741 18.259 19.000 0.000 0.000 0.819 152 A HN 0.540 nan 8.150 nan 0.000 0.442 153 A N -0.390 122.390 122.820 -0.066 0.000 1.877 153 A HA -0.127 4.194 4.320 0.001 0.000 0.216 153 A C 2.288 179.785 177.584 -0.145 0.000 1.186 153 A CA 1.898 53.903 52.037 -0.053 0.000 0.620 153 A CB -0.562 18.444 19.000 0.011 0.000 0.822 153 A HN 0.535 nan 8.150 nan 0.000 0.443 154 M N 0.275 119.712 119.600 -0.272 0.000 2.099 154 M HA -0.140 4.341 4.480 0.001 0.000 0.262 154 M C 2.544 178.724 176.300 -0.199 0.000 1.067 154 M CA 1.951 56.959 55.300 -0.485 0.000 1.124 154 M CB -0.445 31.797 32.600 -0.597 0.000 1.353 154 M HN 0.623 nan 8.290 nan 0.000 0.410 155 S N -0.237 115.390 115.700 -0.123 0.000 2.387 155 S HA -0.049 4.422 4.470 0.001 0.000 0.226 155 S C 1.811 176.331 174.600 -0.133 0.000 1.026 155 S CA 0.986 59.160 58.200 -0.043 0.000 0.972 155 S CB -0.885 62.373 63.200 0.097 0.000 0.814 155 S HN 0.275 nan 8.310 nan 0.000 0.477 156 V N 2.274 122.054 119.914 -0.224 0.000 2.548 156 V HA 0.006 4.127 4.120 0.001 0.000 0.249 156 V C 3.084 178.883 176.094 -0.493 0.000 1.055 156 V CA 1.361 63.435 62.300 -0.378 0.000 1.065 156 V CB -1.350 30.186 31.823 -0.478 0.000 0.681 156 V HN 0.657 nan 8.190 nan 0.000 0.462 157 A N -0.111 122.468 122.820 -0.402 0.000 1.898 157 A HA -0.295 4.026 4.320 0.001 0.000 0.216 157 A C 2.202 179.774 177.584 -0.019 0.000 1.181 157 A CA 2.096 54.035 52.037 -0.163 0.000 0.620 157 A CB -0.515 18.613 19.000 0.212 0.000 0.819 157 A HN 0.550 nan 8.150 nan 0.000 0.442 158 Q N -0.268 119.537 119.800 0.008 0.000 2.096 158 Q HA -0.240 4.100 4.340 0.001 0.000 0.204 158 Q C 2.174 178.147 176.000 -0.045 0.000 0.982 158 Q CA 2.298 58.115 55.803 0.023 0.000 0.850 158 Q CB -0.218 28.543 28.738 0.038 0.000 0.901 158 Q HN 0.523 nan 8.270 nan 0.000 0.422 159 R N -0.580 119.843 120.500 -0.128 0.000 2.075 159 R HA -0.048 4.293 4.340 0.001 0.000 0.232 159 R C 1.911 178.156 176.300 -0.092 0.000 1.126 159 R CA 1.804 57.809 56.100 -0.157 0.000 0.963 159 R CB -0.796 29.355 30.300 -0.248 0.000 0.858 159 R HN 0.263 nan 8.270 nan 0.000 0.435 160 V N 0.938 120.797 119.914 -0.091 0.000 2.548 160 V HA -0.065 4.055 4.120 0.001 0.000 0.249 160 V C 2.321 178.441 176.094 0.043 0.000 1.055 160 V CA 1.530 63.825 62.300 -0.009 0.000 1.065 160 V CB -0.737 31.113 31.823 0.045 0.000 0.681 160 V HN 0.518 nan 8.190 nan 0.000 0.462 161 A N -0.020 122.823 122.820 0.039 0.000 1.933 161 A HA -0.241 4.080 4.320 0.001 0.000 0.218 161 A C 2.174 179.797 177.584 0.065 0.000 1.175 161 A CA 1.891 53.959 52.037 0.051 0.000 0.628 161 A CB -0.369 18.660 19.000 0.048 0.000 0.814 161 A HN 0.630 nan 8.150 nan 0.000 0.444 162 E N -0.304 119.924 120.200 0.047 0.000 2.047 162 E HA -0.176 4.174 4.350 0.001 0.000 0.191 162 E C 1.958 178.628 176.600 0.116 0.000 0.987 162 E CA 1.221 57.659 56.400 0.064 0.000 0.799 162 E CB -0.214 29.494 29.700 0.013 0.000 0.752 162 E HN 0.716 nan 8.360 nan 0.000 0.449 163 E N 0.285 120.537 120.200 0.085 0.000 2.204 163 E HA -0.121 4.229 4.350 0.001 0.000 0.195 163 E C 1.889 178.663 176.600 0.290 0.000 0.990 163 E CA 0.834 57.307 56.400 0.122 0.000 0.821 163 E CB 0.010 29.747 29.700 0.061 0.000 0.750 163 E HN 0.305 nan 8.360 nan 0.000 0.477 164 M N 0.015 119.760 119.600 0.242 0.000 2.541 164 M HA -0.002 4.479 4.480 0.001 0.000 0.252 164 M C -0.008 176.459 176.300 0.279 0.000 1.125 164 M CA 0.348 55.818 55.300 0.283 0.000 1.091 164 M CB 0.170 32.836 32.600 0.109 0.000 1.420 164 M HN -0.121 nan 8.290 nan 0.000 0.486 165 D N 1.496 122.048 120.400 0.253 0.000 2.716 165 D HA -0.110 4.530 4.640 0.001 0.000 0.239 165 D C -0.641 175.723 176.300 0.108 0.000 1.125 165 D CA 0.428 54.544 54.000 0.194 0.000 0.681 165 D CB -0.653 40.271 40.800 0.208 0.000 1.070 165 D HN 0.322 nan 8.370 nan 0.000 0.432 166 V N -2.839 117.122 119.914 0.079 0.000 3.113 166 V HA 0.646 4.767 4.120 0.001 0.000 0.316 166 V C 0.335 176.448 176.094 0.032 0.000 1.125 166 V CA -1.118 61.204 62.300 0.036 0.000 1.026 166 V CB 2.038 33.869 31.823 0.014 0.000 1.080 166 V HN 0.133 nan 8.190 nan 0.000 0.444 167 K N 1.370 121.780 120.400 0.017 0.000 2.249 167 K HA 0.486 4.806 4.320 0.001 0.000 0.280 167 K C -0.544 176.064 176.600 0.013 0.000 1.033 167 K CA -0.725 55.573 56.287 0.017 0.000 0.946 167 K CB 1.207 33.713 32.500 0.010 0.000 1.005 167 K HN 0.774 nan 8.250 nan 0.000 0.469 168 L N 4.549 125.785 121.223 0.022 0.000 2.513 168 L HA 0.168 4.508 4.340 0.001 0.000 0.272 168 L C 0.985 177.839 176.870 -0.026 0.000 1.187 168 L CA 1.995 56.845 54.840 0.017 0.000 0.895 168 L CB 0.328 42.417 42.059 0.051 0.000 1.147 168 L HN 0.985 nan 8.230 nan 0.000 0.483 169 G N 2.539 111.303 108.800 -0.060 0.000 2.213 169 G HA2 -0.218 3.742 3.960 0.001 0.000 0.236 169 G HA3 -0.218 3.742 3.960 0.001 0.000 0.236 169 G C 0.650 175.520 174.900 -0.050 0.000 0.991 169 G CA 0.357 45.400 45.100 -0.096 0.000 0.629 169 G HN 0.623 nan 8.290 nan 0.000 0.517 170 E N 0.050 120.234 120.200 -0.027 0.000 3.388 170 E HA 0.345 4.695 4.350 0.001 0.000 0.402 170 E C 1.674 178.262 176.600 -0.019 0.000 0.387 170 E CA 0.091 56.481 56.400 -0.016 0.000 2.276 170 E CB 0.074 29.769 29.700 -0.008 0.000 2.207 170 E HN 0.162 nan 8.360 nan 0.000 0.469 171 E N 0.359 120.545 120.200 -0.023 0.000 2.153 171 E HA -0.060 4.290 4.350 0.001 0.000 0.194 171 E C -0.021 176.536 176.600 -0.072 0.000 0.988 171 E CA 0.579 56.947 56.400 -0.054 0.000 0.811 171 E CB 0.145 29.797 29.700 -0.081 0.000 0.746 171 E HN -0.048 nan 8.360 nan 0.000 0.466 172 V N 0.046 119.941 119.914 -0.033 0.000 2.417 172 V HA 0.713 4.834 4.120 0.001 0.000 0.291 172 V C 0.399 176.518 176.094 0.042 0.000 1.024 172 V CA -0.236 62.075 62.300 0.017 0.000 0.861 172 V CB 1.542 33.404 31.823 0.066 0.000 0.985 172 V HN 0.209 nan 8.190 nan 0.000 0.436 173 G N 3.182 112.022 108.800 0.066 0.000 2.866 173 G HA2 0.782 4.742 3.960 0.001 0.000 0.289 173 G HA3 0.782 4.742 3.960 0.001 0.000 0.289 173 G C -1.789 173.187 174.900 0.127 0.000 1.396 173 G CA -0.601 44.504 45.100 0.009 0.000 0.848 173 G HN 0.774 nan 8.290 nan 0.000 0.515 174 Y N -1.662 118.697 120.300 0.098 0.000 2.553 174 Y HA 0.842 5.392 4.550 0.001 0.000 0.347 174 Y C -0.449 175.496 175.900 0.076 0.000 1.019 174 Y CA -2.081 56.083 58.100 0.107 0.000 1.032 174 Y CB 1.960 40.478 38.460 0.097 0.000 1.284 174 Y HN 0.628 nan 8.280 nan 0.000 0.466 175 S N 3.585 119.490 115.700 0.342 0.000 2.707 175 S HA 0.818 5.289 4.470 0.001 0.000 0.303 175 S C -1.602 173.118 174.600 0.200 0.000 1.132 175 S CA -0.525 57.813 58.200 0.229 0.000 1.046 175 S CB 0.095 63.370 63.200 0.126 0.000 1.004 175 S HN 0.579 nan 8.310 nan 0.000 0.483 176 I N 3.256 123.942 120.570 0.193 0.000 2.785 176 I HA 0.498 4.669 4.170 0.001 0.000 0.302 176 I C 0.542 176.681 176.117 0.036 0.000 1.069 176 I CA -1.063 60.293 61.300 0.094 0.000 1.045 176 I CB 1.625 39.675 38.000 0.083 0.000 1.236 176 I HN 0.724 nan 8.210 nan 0.000 0.429 177 R N 3.231 123.696 120.500 -0.058 0.000 2.485 177 R HA -0.045 4.296 4.340 0.001 0.000 0.304 177 R C -0.358 175.856 176.300 -0.143 0.000 0.934 177 R CA 0.538 56.483 56.100 -0.259 0.000 1.102 177 R CB -0.169 29.924 30.300 -0.344 0.000 0.906 177 R HN 0.538 nan 8.270 nan 0.000 0.407 178 F N 0.882 120.871 119.950 0.066 0.000 2.825 178 F HA -0.286 4.241 4.527 0.001 0.000 0.358 178 F C -0.238 175.607 175.800 0.076 0.000 0.639 178 F CA 1.347 59.385 58.000 0.063 0.000 1.153 178 F CB -1.399 37.634 39.000 0.055 0.000 1.610 178 F HN 0.690 nan 8.300 nan 0.000 0.305 179 E N 0.517 120.857 120.200 0.233 0.000 2.761 179 E HA 0.188 4.538 4.350 0.001 0.000 0.266 179 E C -0.324 176.420 176.600 0.240 0.000 1.097 179 E CA -0.484 56.054 56.400 0.231 0.000 0.773 179 E CB 0.951 30.794 29.700 0.237 0.000 1.453 179 E HN 0.210 nan 8.360 nan 0.000 0.388 180 N N 2.721 121.512 118.700 0.152 0.000 2.479 180 N HA 0.169 4.909 4.740 0.001 0.000 0.285 180 N C -0.643 174.833 175.510 -0.057 0.000 1.075 180 N CA -0.246 52.850 53.050 0.077 0.000 0.967 180 N CB 1.183 39.699 38.487 0.048 0.000 1.137 180 N HN 0.208 nan 8.380 nan 0.000 0.472 181 K N 2.120 122.350 120.400 -0.283 0.000 3.146 181 K HA 0.201 4.521 4.320 0.001 0.000 0.168 181 K C -1.272 175.130 176.600 -0.329 0.000 1.075 181 K CA -0.443 55.548 56.287 -0.492 0.000 0.843 181 K CB 0.014 31.773 32.500 -1.234 0.000 1.002 181 K HN 0.724 nan 8.250 nan 0.000 0.597 182 T N -2.530 111.935 114.554 -0.148 0.000 2.838 182 T HA 0.790 5.141 4.350 0.001 0.000 0.292 182 T C -0.406 174.266 174.700 -0.047 0.000 1.113 182 T CA -0.577 61.476 62.100 -0.079 0.000 1.008 182 T CB 1.715 70.566 68.868 -0.029 0.000 1.259 182 T HN 0.222 nan 8.240 nan 0.000 0.520 183 S N -0.180 115.504 115.700 -0.028 0.000 2.757 183 S HA 0.396 4.866 4.470 0.001 0.000 0.285 183 S C 0.427 175.023 174.600 -0.007 0.000 1.196 183 S CA -0.314 57.876 58.200 -0.016 0.000 0.856 183 S CB 0.694 63.885 63.200 -0.016 0.000 1.212 183 S HN 0.903 nan 8.310 nan 0.000 0.516 184 N N 0.664 119.363 118.700 -0.002 0.000 2.453 184 N HA -0.052 4.689 4.740 0.001 0.000 0.183 184 N C 0.783 176.305 175.510 0.021 0.000 1.041 184 N CA 0.845 53.898 53.050 0.006 0.000 0.900 184 N CB -0.559 37.932 38.487 0.007 0.000 0.961 184 N HN 0.661 nan 8.380 nan 0.000 0.443 185 K N -0.570 119.841 120.400 0.019 0.000 2.426 185 K HA 0.105 4.426 4.320 0.001 0.000 0.193 185 K C -0.131 176.481 176.600 0.019 0.000 1.028 185 K CA 0.183 56.490 56.287 0.033 0.000 1.047 185 K CB 0.142 32.658 32.500 0.027 0.000 0.821 185 K HN 0.108 nan 8.250 nan 0.000 0.513 186 T N 1.356 115.912 114.554 0.002 0.000 2.834 186 T HA 0.138 4.489 4.350 0.001 0.000 0.298 186 T C 1.299 175.989 174.700 -0.016 0.000 0.966 186 T CA 0.204 62.296 62.100 -0.013 0.000 1.141 186 T CB 0.747 69.610 68.868 -0.009 0.000 0.905 186 T HN 0.059 nan 8.240 nan 0.000 0.535 187 I N 2.072 122.610 120.570 -0.052 0.000 3.039 187 I HA 0.215 4.385 4.170 0.001 0.000 0.270 187 I C 0.296 176.365 176.117 -0.080 0.000 1.150 187 I CA 0.146 61.404 61.300 -0.070 0.000 1.448 187 I CB 0.214 38.114 38.000 -0.167 0.000 1.197 187 I HN 0.328 nan 8.210 nan 0.000 0.450 188 L N 2.022 123.173 121.223 -0.121 0.000 2.298 188 L HA 0.424 4.765 4.340 0.001 0.000 0.284 188 L C -0.406 176.381 176.870 -0.138 0.000 1.013 188 L CA -0.233 54.505 54.840 -0.171 0.000 0.824 188 L CB 0.907 42.828 42.059 -0.231 0.000 1.221 188 L HN -0.047 nan 8.230 nan 0.000 0.418 189 K N 4.837 125.149 120.400 -0.147 0.000 2.425 189 K HA 0.368 4.689 4.320 0.001 0.000 0.259 189 K C -1.570 174.933 176.600 -0.162 0.000 0.978 189 K CA -0.545 55.712 56.287 -0.049 0.000 0.883 189 K CB 0.695 33.242 32.500 0.077 0.000 1.110 189 K HN 0.549 nan 8.250 nan 0.000 0.436 190 Y N 4.628 124.955 120.300 0.044 0.000 2.299 190 Y HA 0.353 4.904 4.550 0.001 0.000 0.326 190 Y C 0.581 176.520 175.900 0.064 0.000 1.164 190 Y CA -0.231 57.888 58.100 0.032 0.000 1.234 190 Y CB 1.283 39.767 38.460 0.041 0.000 1.219 190 Y HN 0.474 nan 8.280 nan 0.000 0.497 191 M N -0.072 119.628 119.600 0.167 0.000 2.682 191 M HA 0.489 4.969 4.480 0.001 0.000 0.272 191 M C -1.112 175.225 176.300 0.062 0.000 1.232 191 M CA -1.050 54.314 55.300 0.107 0.000 0.849 191 M CB 1.849 34.481 32.600 0.055 0.000 1.695 191 M HN 0.519 nan 8.290 nan 0.000 0.481 192 T N -1.617 112.962 114.554 0.042 0.000 2.898 192 T HA 0.206 4.556 4.350 0.001 0.000 0.301 192 T C 0.668 175.373 174.700 0.007 0.000 1.049 192 T CA 0.211 62.323 62.100 0.020 0.000 1.095 192 T CB 0.465 69.339 68.868 0.011 0.000 0.976 192 T HN 0.752 nan 8.240 nan 0.000 0.539 193 D N 1.920 122.322 120.400 0.004 0.000 2.149 193 D HA -0.075 4.566 4.640 0.001 0.000 0.198 193 D C 2.194 178.497 176.300 0.004 0.000 0.990 193 D CA 1.487 55.488 54.000 0.001 0.000 0.839 193 D CB -1.151 39.654 40.800 0.009 0.000 0.948 193 D HN 0.720 nan 8.370 nan 0.000 0.460 194 G N 0.110 108.912 108.800 0.003 0.000 2.442 194 G HA2 -0.241 3.720 3.960 0.001 0.000 0.219 194 G HA3 -0.241 3.720 3.960 0.001 0.000 0.219 194 G C 1.550 176.445 174.900 -0.009 0.000 1.141 194 G CA 1.089 46.187 45.100 -0.004 0.000 0.763 194 G HN 0.113 nan 8.290 nan 0.000 0.554 195 M N -0.260 119.335 119.600 -0.007 0.000 2.200 195 M HA 0.129 4.609 4.480 0.001 0.000 0.265 195 M C 2.417 178.723 176.300 0.011 0.000 1.066 195 M CA 0.650 55.949 55.300 -0.002 0.000 1.127 195 M CB -0.982 31.626 32.600 0.013 0.000 1.379 195 M HN 0.283 nan 8.290 nan 0.000 0.420 196 L N 0.516 121.737 121.223 -0.003 0.000 2.093 196 L HA -0.116 4.224 4.340 0.001 0.000 0.208 196 L C 2.191 179.071 176.870 0.017 0.000 1.085 196 L CA 1.265 56.097 54.840 -0.014 0.000 0.755 196 L CB -0.898 41.113 42.059 -0.079 0.000 0.904 196 L HN 0.207 nan 8.230 nan 0.000 0.435 197 L N -0.370 120.863 121.223 0.016 0.000 2.046 197 L HA -0.189 4.152 4.340 0.001 0.000 0.208 197 L C 2.627 179.515 176.870 0.030 0.000 1.077 197 L CA 1.709 56.565 54.840 0.026 0.000 0.747 197 L CB -0.643 41.428 42.059 0.020 0.000 0.896 197 L HN 0.233 nan 8.230 nan 0.000 0.432 198 R N -0.349 120.163 120.500 0.021 0.000 2.096 198 R HA -0.148 4.193 4.340 0.001 0.000 0.235 198 R C 2.116 178.446 176.300 0.050 0.000 1.127 198 R CA 1.667 57.780 56.100 0.023 0.000 0.968 198 R CB -0.407 29.892 30.300 -0.001 0.000 0.861 198 R HN 0.572 nan 8.270 nan 0.000 0.440 199 E N 0.505 120.744 120.200 0.065 0.000 2.118 199 E HA -0.183 4.167 4.350 0.001 0.000 0.195 199 E C 1.996 178.667 176.600 0.119 0.000 0.992 199 E CA 1.228 57.688 56.400 0.100 0.000 0.804 199 E CB -0.093 29.696 29.700 0.149 0.000 0.741 199 E HN 0.352 nan 8.360 nan 0.000 0.458 200 A N 0.962 123.851 122.820 0.115 0.000 1.969 200 A HA -0.138 4.182 4.320 0.001 0.000 0.218 200 A C 2.122 179.821 177.584 0.192 0.000 1.169 200 A CA 1.033 53.156 52.037 0.143 0.000 0.635 200 A CB -0.400 18.661 19.000 0.103 0.000 0.810 200 A HN 0.128 nan 8.150 nan 0.000 0.445 201 M N -0.728 118.948 119.600 0.127 0.000 2.202 201 M HA -0.156 4.325 4.480 0.001 0.000 0.262 201 M C 1.784 178.215 176.300 0.219 0.000 1.063 201 M CA 1.345 56.731 55.300 0.143 0.000 1.097 201 M CB -0.177 32.463 32.600 0.068 0.000 1.382 201 M HN 0.305 nan 8.290 nan 0.000 0.413 202 E N -0.400 119.884 120.200 0.140 0.000 2.190 202 E HA -0.009 4.342 4.350 0.001 0.000 0.191 202 E C -0.055 176.563 176.600 0.030 0.000 0.978 202 E CA 0.706 57.154 56.400 0.079 0.000 0.839 202 E CB 0.155 29.890 29.700 0.059 0.000 0.787 202 E HN 0.287 nan 8.360 nan 0.000 0.473 203 D N -0.341 120.111 120.400 0.086 0.000 2.389 203 D HA 0.074 4.715 4.640 0.001 0.000 0.256 203 D C 0.357 176.747 176.300 0.149 0.000 1.239 203 D CA -0.390 53.633 54.000 0.038 0.000 0.925 203 D CB 0.271 41.097 40.800 0.043 0.000 1.145 203 D HN -0.163 nan 8.370 nan 0.000 0.542 204 H N 1.619 120.716 119.070 0.045 0.000 2.518 204 H HA -0.002 4.554 4.556 0.001 0.000 0.289 204 H C 0.489 175.852 175.328 0.058 0.000 1.051 204 H CA 0.841 56.919 56.048 0.050 0.000 1.280 204 H CB 0.322 30.110 29.762 0.043 0.000 1.380 204 H HN 0.451 nan 8.280 nan 0.000 0.566 205 D N -0.027 120.470 120.400 0.160 0.000 2.369 205 D HA 0.079 4.719 4.640 0.001 0.000 0.211 205 D C 0.724 177.096 176.300 0.119 0.000 1.077 205 D CA -0.127 53.944 54.000 0.119 0.000 0.842 205 D CB 0.507 41.354 40.800 0.079 0.000 0.947 205 D HN 0.178 nan 8.370 nan 0.000 0.509 206 L N 1.578 122.885 121.223 0.141 0.000 3.660 206 L HA -0.271 4.070 4.340 0.001 0.000 0.440 206 L C 1.662 178.622 176.870 0.152 0.000 1.262 206 L CA 0.189 55.148 54.840 0.200 0.000 0.837 206 L CB -1.806 40.406 42.059 0.255 0.000 1.689 206 L HN 0.057 nan 8.230 nan 0.000 0.890 207 S N -1.577 114.157 115.700 0.057 0.000 2.447 207 S HA -0.101 4.369 4.470 0.001 0.000 0.233 207 S C 1.787 176.345 174.600 -0.070 0.000 1.006 207 S CA 0.587 58.792 58.200 0.009 0.000 0.957 207 S CB -0.056 63.142 63.200 -0.004 0.000 0.773 207 S HN 0.561 nan 8.310 nan 0.000 0.507 208 R N 0.263 120.649 120.500 -0.190 0.000 2.159 208 R HA 0.048 4.389 4.340 0.001 0.000 0.237 208 R C -0.383 175.611 176.300 -0.510 0.000 1.131 208 R CA 0.793 56.643 56.100 -0.416 0.000 0.982 208 R CB -0.312 29.573 30.300 -0.692 0.000 0.868 208 R HN 0.543 nan 8.270 nan 0.000 0.453 209 Y N -0.590 119.715 120.300 0.009 0.000 2.341 209 Y HA 0.086 4.637 4.550 0.001 0.000 0.337 209 Y C 1.421 177.333 175.900 0.020 0.000 1.014 209 Y CA -0.626 57.479 58.100 0.009 0.000 1.111 209 Y CB 1.796 40.260 38.460 0.007 0.000 1.194 209 Y HN -0.078 nan 8.280 nan 0.000 0.462 210 S N -0.341 115.457 115.700 0.163 0.000 2.486 210 S HA 0.104 4.574 4.470 0.001 0.000 0.220 210 S C 0.422 175.122 174.600 0.165 0.000 1.011 210 S CA -0.182 58.099 58.200 0.135 0.000 0.921 210 S CB 0.138 63.407 63.200 0.114 0.000 0.785 210 S HN 0.580 nan 8.310 nan 0.000 0.517 211 C N 0.943 120.353 119.300 0.184 0.000 2.686 211 C HA 0.759 5.220 4.460 0.001 0.000 0.318 211 C C -1.445 173.593 174.990 0.080 0.000 1.160 211 C CA -1.065 58.051 59.018 0.164 0.000 1.396 211 C CB 0.578 28.453 27.740 0.226 0.000 1.924 211 C HN 0.570 nan 8.230 nan 0.000 0.471 212 I N 6.142 126.726 120.570 0.024 0.000 2.447 212 I HA 0.477 4.648 4.170 0.001 0.000 0.287 212 I C -0.538 175.540 176.117 -0.066 0.000 1.023 212 I CA -0.329 60.925 61.300 -0.078 0.000 1.083 212 I CB 1.566 39.508 38.000 -0.097 0.000 1.245 212 I HN 0.506 nan 8.210 nan 0.000 0.434 213 I N 7.252 127.761 120.570 -0.102 0.000 2.354 213 I HA 0.329 4.499 4.170 0.001 0.000 0.286 213 I C -0.507 175.551 176.117 -0.099 0.000 1.007 213 I CA -0.513 60.733 61.300 -0.091 0.000 1.167 213 I CB 1.097 39.029 38.000 -0.112 0.000 1.320 213 I HN 0.305 nan 8.210 nan 0.000 0.458 214 L N 5.799 126.966 121.223 -0.093 0.000 2.259 214 L HA 0.343 4.684 4.340 0.001 0.000 0.288 214 L C -0.128 176.694 176.870 -0.080 0.000 1.051 214 L CA -0.240 54.553 54.840 -0.079 0.000 0.824 214 L CB 0.545 42.561 42.059 -0.071 0.000 1.206 214 L HN 0.547 nan 8.230 nan 0.000 0.429 215 D N 2.973 123.343 120.400 -0.050 0.000 2.332 215 D HA 0.117 4.757 4.640 0.001 0.000 0.252 215 D C 0.431 176.719 176.300 -0.020 0.000 1.050 215 D CA -0.080 53.905 54.000 -0.025 0.000 0.970 215 D CB 1.049 41.848 40.800 -0.002 0.000 1.141 215 D HN 0.388 nan 8.370 nan 0.000 0.485 216 E N 0.210 120.428 120.200 0.030 0.000 2.440 216 E HA -0.239 4.111 4.350 0.001 0.000 0.246 216 E C 0.582 177.061 176.600 -0.201 0.000 1.165 216 E CA 0.727 57.095 56.400 -0.053 0.000 0.726 216 E CB -1.732 27.922 29.700 -0.076 0.000 1.271 216 E HN 0.492 nan 8.360 nan 0.000 0.397 217 A N 0.623 123.416 122.820 -0.046 0.000 2.067 217 A HA -0.201 4.119 4.320 0.001 0.000 0.219 217 A C 1.869 179.565 177.584 0.186 0.000 1.158 217 A CA 1.562 53.580 52.037 -0.030 0.000 0.661 217 A CB -0.729 18.045 19.000 -0.378 0.000 0.801 217 A HN 0.619 nan 8.150 nan 0.000 0.452 218 H N -0.625 118.601 119.070 0.260 0.000 2.489 218 H HA -0.024 4.532 4.556 0.001 0.000 0.293 218 H C 1.175 176.598 175.328 0.158 0.000 1.066 218 H CA 1.298 57.501 56.048 0.259 0.000 1.305 218 H CB -0.417 29.458 29.762 0.188 0.000 1.386 218 H HN 0.621 nan 8.280 nan 0.000 0.551 219 E N 0.987 120.959 120.200 -0.380 0.000 2.347 219 E HA -0.050 4.301 4.350 0.001 0.000 0.196 219 E C 0.253 176.841 176.600 -0.020 0.000 1.008 219 E CA -0.135 56.165 56.400 -0.166 0.000 0.852 219 E CB 0.143 29.724 29.700 -0.197 0.000 0.783 219 E HN 0.221 nan 8.360 nan 0.000 0.505 220 R N 1.344 121.863 120.500 0.030 0.000 3.322 220 R HA -0.130 4.211 4.340 0.001 0.000 0.253 220 R C 0.061 176.383 176.300 0.037 0.000 0.987 220 R CA 1.172 57.313 56.100 0.068 0.000 0.666 220 R CB -3.063 27.275 30.300 0.062 0.000 1.072 220 R HN 0.384 nan 8.270 nan 0.000 0.447 221 T N -3.202 111.366 114.554 0.024 0.000 2.766 221 T HA 0.263 4.613 4.350 0.001 0.000 0.295 221 T C 1.613 176.331 174.700 0.029 0.000 1.024 221 T CA -0.536 61.575 62.100 0.020 0.000 1.018 221 T CB 0.958 69.835 68.868 0.014 0.000 1.002 221 T HN 0.113 nan 8.240 nan 0.000 0.532 222 L N 1.648 122.879 121.223 0.014 0.000 2.017 222 L HA 0.106 4.446 4.340 0.001 0.000 0.208 222 L C 2.798 179.702 176.870 0.058 0.000 1.073 222 L CA 2.360 57.207 54.840 0.012 0.000 0.745 222 L CB -1.806 40.240 42.059 -0.022 0.000 0.894 222 L HN 0.952 nan 8.230 nan 0.000 0.432 223 A N -1.929 120.918 122.820 0.045 0.000 1.933 223 A HA -0.202 4.119 4.320 0.001 0.000 0.218 223 A C 2.267 179.899 177.584 0.079 0.000 1.175 223 A CA 2.232 54.302 52.037 0.055 0.000 0.628 223 A CB -1.123 17.895 19.000 0.030 0.000 0.814 223 A HN 0.501 nan 8.150 nan 0.000 0.444 224 T N 0.136 114.732 114.554 0.071 0.000 2.708 224 T HA -0.125 4.225 4.350 0.001 0.000 0.266 224 T C 1.525 176.311 174.700 0.144 0.000 1.037 224 T CA 1.691 63.842 62.100 0.085 0.000 1.146 224 T CB -0.442 68.460 68.868 0.058 0.000 0.865 224 T HN 0.483 nan 8.240 nan 0.000 0.435 225 D N 0.800 121.295 120.400 0.159 0.000 2.144 225 D HA -0.008 4.633 4.640 0.001 0.000 0.199 225 D C 1.992 178.507 176.300 0.359 0.000 0.984 225 D CA 0.705 54.843 54.000 0.231 0.000 0.834 225 D CB -0.342 40.583 40.800 0.210 0.000 0.955 225 D HN 0.380 nan 8.370 nan 0.000 0.465 226 I N 0.179 120.953 120.570 0.340 0.000 2.252 226 I HA -0.215 3.955 4.170 0.001 0.000 0.245 226 I C 2.273 178.561 176.117 0.285 0.000 1.102 226 I CA 0.657 62.166 61.300 0.347 0.000 1.385 226 I CB -0.155 37.957 38.000 0.186 0.000 1.064 226 I HN -0.005 nan 8.210 nan 0.000 0.414 227 L N -0.260 121.084 121.223 0.202 0.000 2.083 227 L HA -0.232 4.109 4.340 0.001 0.000 0.209 227 L C 2.679 179.687 176.870 0.231 0.000 1.083 227 L CA 1.370 56.313 54.840 0.171 0.000 0.752 227 L CB -0.426 41.697 42.059 0.106 0.000 0.899 227 L HN 0.288 nan 8.230 nan 0.000 0.433 228 M N -0.694 119.077 119.600 0.285 0.000 2.086 228 M HA -0.149 4.332 4.480 0.001 0.000 0.261 228 M C 2.327 178.861 176.300 0.389 0.000 1.067 228 M CA 2.036 57.596 55.300 0.433 0.000 1.116 228 M CB -0.898 31.952 32.600 0.418 0.000 1.348 228 M HN 0.375 nan 8.290 nan 0.000 0.407 229 G N 0.204 109.173 108.800 0.282 0.000 2.402 229 G HA2 -0.134 3.827 3.960 0.001 0.000 0.216 229 G HA3 -0.134 3.827 3.960 0.001 0.000 0.216 229 G C 1.514 176.414 174.900 0.001 0.000 1.162 229 G CA 0.385 45.489 45.100 0.005 0.000 0.777 229 G HN 0.310 nan 8.290 nan 0.000 0.539 230 L N -0.149 121.222 121.223 0.247 0.000 2.017 230 L HA -0.020 4.320 4.340 0.001 0.000 0.208 230 L C 2.874 179.818 176.870 0.124 0.000 1.073 230 L CA 0.757 55.717 54.840 0.200 0.000 0.745 230 L CB -0.336 41.838 42.059 0.193 0.000 0.894 230 L HN 0.182 nan 8.230 nan 0.000 0.432 231 L N -0.459 120.859 121.223 0.159 0.000 2.156 231 L HA -0.168 4.173 4.340 0.001 0.000 0.208 231 L C 2.575 179.532 176.870 0.145 0.000 1.095 231 L CA 0.792 55.718 54.840 0.144 0.000 0.770 231 L CB -0.386 41.763 42.059 0.151 0.000 0.914 231 L HN 0.234 nan 8.230 nan 0.000 0.439 232 K N -0.269 120.236 120.400 0.176 0.000 2.211 232 K HA -0.218 4.102 4.320 0.001 0.000 0.204 232 K C 2.096 178.694 176.600 -0.002 0.000 1.047 232 K CA 1.255 57.596 56.287 0.089 0.000 0.935 232 K CB 0.224 32.657 32.500 -0.112 0.000 0.728 232 K HN 0.269 nan 8.250 nan 0.000 0.452 233 Q N -0.400 119.394 119.800 -0.010 0.000 2.226 233 Q HA -0.004 4.337 4.340 0.001 0.000 0.199 233 Q C 2.232 178.242 176.000 0.018 0.000 0.945 233 Q CA 0.769 56.562 55.803 -0.017 0.000 0.861 233 Q CB -0.069 28.651 28.738 -0.030 0.000 0.953 233 Q HN 0.144 nan 8.270 nan 0.000 0.490 234 V N 2.085 122.026 119.914 0.044 0.000 2.332 234 V HA -0.220 3.901 4.120 0.001 0.000 0.248 234 V C 2.590 178.707 176.094 0.040 0.000 1.055 234 V CA 1.962 64.294 62.300 0.054 0.000 1.038 234 V CB -1.144 30.724 31.823 0.074 0.000 0.651 234 V HN 0.290 nan 8.190 nan 0.000 0.450 235 V N -1.569 118.366 119.914 0.035 0.000 2.594 235 V HA -0.233 3.888 4.120 0.001 0.000 0.253 235 V C 2.198 178.297 176.094 0.007 0.000 1.069 235 V CA 1.893 64.204 62.300 0.019 0.000 1.082 235 V CB -1.041 30.790 31.823 0.013 0.000 0.680 235 V HN 0.499 nan 8.190 nan 0.000 0.469 236 K N 0.563 120.967 120.400 0.006 0.000 2.209 236 K HA -0.026 4.295 4.320 0.001 0.000 0.204 236 K C 2.298 178.900 176.600 0.003 0.000 1.048 236 K CA 1.632 57.918 56.287 -0.002 0.000 0.940 236 K CB -0.184 32.310 32.500 -0.009 0.000 0.729 236 K HN 0.536 nan 8.250 nan 0.000 0.451 237 R N 0.003 120.511 120.500 0.013 0.000 2.290 237 R HA 0.135 4.476 4.340 0.001 0.000 0.197 237 R C 0.351 176.662 176.300 0.018 0.000 0.913 237 R CA 0.170 56.281 56.100 0.018 0.000 1.040 237 R CB 0.451 30.769 30.300 0.029 0.000 0.992 237 R HN -0.054 nan 8.270 nan 0.000 0.500 238 R N 1.390 121.901 120.500 0.018 0.000 2.513 238 R HA 0.201 4.541 4.340 0.001 0.000 0.283 238 R C -2.157 174.147 176.300 0.007 0.000 1.535 238 R CA -1.566 54.545 56.100 0.018 0.000 1.315 238 R CB 1.512 31.831 30.300 0.032 0.000 1.163 238 R HN -0.067 nan 8.270 nan 0.000 0.573 239 P HA -0.165 nan 4.420 nan 0.000 0.222 239 P C 0.472 177.766 177.300 -0.010 0.000 1.147 239 P CA 1.186 64.279 63.100 -0.011 0.000 0.790 239 P CB 0.222 31.917 31.700 -0.008 0.000 0.780 240 D N -0.889 119.516 120.400 0.009 0.000 2.319 240 D HA 0.006 4.646 4.640 0.001 0.000 0.230 240 D C 0.275 176.595 176.300 0.033 0.000 1.094 240 D CA -0.150 53.866 54.000 0.027 0.000 0.856 240 D CB -0.307 40.512 40.800 0.032 0.000 0.915 240 D HN 0.153 nan 8.370 nan 0.000 0.517 241 L N 0.065 121.295 121.223 0.013 0.000 2.341 241 L HA 0.471 4.812 4.340 0.001 0.000 0.278 241 L C -0.829 176.027 176.870 -0.024 0.000 1.005 241 L CA -0.543 54.312 54.840 0.025 0.000 0.818 241 L CB 1.760 43.844 42.059 0.042 0.000 1.259 241 L HN -0.272 nan 8.230 nan 0.000 0.418 242 K N 5.335 125.720 120.400 -0.024 0.000 2.208 242 K HA 0.680 5.001 4.320 0.001 0.000 0.247 242 K C -1.311 175.286 176.600 -0.006 0.000 0.953 242 K CA -0.848 55.384 56.287 -0.092 0.000 0.837 242 K CB 1.958 34.298 32.500 -0.267 0.000 1.131 242 K HN 0.423 nan 8.250 nan 0.000 0.431 243 I N 3.442 123.986 120.570 -0.045 0.000 2.498 243 I HA 0.418 4.589 4.170 0.001 0.000 0.290 243 I C -0.474 175.613 176.117 -0.051 0.000 1.032 243 I CA -0.680 60.582 61.300 -0.062 0.000 1.073 243 I CB 1.550 39.457 38.000 -0.155 0.000 1.251 243 I HN 0.540 nan 8.210 nan 0.000 0.426 244 I N 5.936 126.495 120.570 -0.019 0.000 2.436 244 I HA 0.418 4.589 4.170 0.001 0.000 0.289 244 I C -0.501 175.562 176.117 -0.090 0.000 1.010 244 I CA -0.630 60.676 61.300 0.009 0.000 1.098 244 I CB 2.257 40.334 38.000 0.129 0.000 1.266 244 I HN 0.202 nan 8.210 nan 0.000 0.434 245 I N 6.640 127.127 120.570 -0.137 0.000 2.336 245 I HA 0.443 4.613 4.170 0.001 0.000 0.292 245 I C -0.104 175.958 176.117 -0.092 0.000 0.991 245 I CA -0.356 60.818 61.300 -0.210 0.000 1.227 245 I CB 1.207 38.985 38.000 -0.371 0.000 1.366 245 I HN 0.500 nan 8.210 nan 0.000 0.466 246 M N 4.517 124.075 119.600 -0.070 0.000 2.456 246 M HA 0.496 4.977 4.480 0.001 0.000 0.324 246 M C -0.236 176.116 176.300 0.086 0.000 1.124 246 M CA -0.442 54.893 55.300 0.059 0.000 0.959 246 M CB 2.525 35.137 32.600 0.020 0.000 1.692 246 M HN 0.603 nan 8.290 nan 0.000 0.444 247 S N 0.375 116.189 115.700 0.190 0.000 2.550 247 S HA 0.705 5.176 4.470 0.001 0.000 0.270 247 S C 0.000 174.709 174.600 0.181 0.000 1.145 247 S CA -0.102 58.277 58.200 0.297 0.000 0.852 247 S CB 1.872 65.278 63.200 0.344 0.000 1.119 247 S HN 0.779 nan 8.310 nan 0.000 0.465 248 A N 2.050 124.837 122.820 -0.055 0.000 2.072 248 A HA 0.261 4.582 4.320 0.001 0.000 0.216 248 A C 1.000 178.494 177.584 -0.150 0.000 1.156 248 A CA 0.777 52.672 52.037 -0.236 0.000 0.701 248 A CB -0.580 18.082 19.000 -0.564 0.000 0.816 248 A HN 0.718 nan 8.150 nan 0.000 0.458 249 T N 1.733 116.233 114.554 -0.090 0.000 2.738 249 T HA 0.328 4.679 4.350 0.001 0.000 0.294 249 T C 1.050 175.776 174.700 0.043 0.000 0.914 249 T CA -0.115 61.979 62.100 -0.011 0.000 1.052 249 T CB 0.292 69.205 68.868 0.075 0.000 0.897 249 T HN 0.287 nan 8.240 nan 0.000 0.522 250 L N 1.708 122.939 121.223 0.012 0.000 2.465 250 L HA 0.072 4.412 4.340 0.001 0.000 0.224 250 L C 1.229 178.114 176.870 0.025 0.000 1.145 250 L CA 0.571 55.421 54.840 0.017 0.000 0.834 250 L CB -0.106 41.952 42.059 -0.002 0.000 0.944 250 L HN 0.501 nan 8.230 nan 0.000 0.451 251 D N 0.832 121.247 120.400 0.025 0.000 2.456 251 D HA 0.309 4.949 4.640 0.001 0.000 0.219 251 D C 0.442 176.764 176.300 0.037 0.000 1.126 251 D CA -0.015 53.996 54.000 0.020 0.000 0.890 251 D CB 1.638 42.437 40.800 -0.001 0.000 1.025 251 D HN 0.085 nan 8.370 nan 0.000 0.511 252 A N 3.854 126.713 122.820 0.066 0.000 2.470 252 A HA 0.107 4.427 4.320 0.001 0.000 0.251 252 A C 1.597 179.252 177.584 0.118 0.000 1.245 252 A CA -0.218 51.901 52.037 0.137 0.000 0.932 252 A CB 0.030 19.139 19.000 0.182 0.000 1.037 252 A HN 0.545 nan 8.150 nan 0.000 0.522 253 E N 1.117 121.348 120.200 0.052 0.000 2.097 253 E HA -0.255 4.095 4.350 0.001 0.000 0.196 253 E C 1.390 178.014 176.600 0.040 0.000 1.000 253 E CA 1.558 57.986 56.400 0.046 0.000 0.804 253 E CB -0.194 29.515 29.700 0.015 0.000 0.740 253 E HN 0.609 nan 8.360 nan 0.000 0.454 254 K N 0.149 120.520 120.400 -0.047 0.000 2.097 254 K HA -0.084 4.237 4.320 0.001 0.000 0.205 254 K C 2.007 178.598 176.600 -0.015 0.000 1.050 254 K CA 1.081 57.309 56.287 -0.097 0.000 0.938 254 K CB -0.184 32.172 32.500 -0.240 0.000 0.718 254 K HN 0.110 nan 8.250 nan 0.000 0.442 255 F N 1.865 121.903 119.950 0.147 0.000 2.186 255 F HA -0.164 4.363 4.527 0.001 0.000 0.299 255 F C 2.609 178.615 175.800 0.343 0.000 1.090 255 F CA 0.930 59.093 58.000 0.271 0.000 1.307 255 F CB -0.087 39.092 39.000 0.298 0.000 1.019 255 F HN 0.055 nan 8.300 nan 0.000 0.489 256 Q N -0.070 119.965 119.800 0.391 0.000 2.050 256 Q HA -0.247 4.093 4.340 0.001 0.000 0.202 256 Q C 2.199 178.344 176.000 0.242 0.000 0.980 256 Q CA 1.650 57.633 55.803 0.300 0.000 0.840 256 Q CB -0.279 28.572 28.738 0.188 0.000 0.898 256 Q HN 0.183 nan 8.270 nan 0.000 0.424 257 R N 0.326 120.930 120.500 0.172 0.000 2.073 257 R HA -0.218 4.122 4.340 0.001 0.000 0.234 257 R C 1.987 178.343 176.300 0.094 0.000 1.134 257 R CA 1.650 57.812 56.100 0.104 0.000 0.952 257 R CB -0.976 29.366 30.300 0.070 0.000 0.850 257 R HN 0.345 nan 8.270 nan 0.000 0.433 258 Y N -0.342 119.947 120.300 -0.018 0.000 2.256 258 Y HA -0.088 4.462 4.550 0.001 0.000 0.288 258 Y C 0.479 176.219 175.900 -0.266 0.000 1.155 258 Y CA 1.483 59.476 58.100 -0.178 0.000 1.203 258 Y CB -0.069 38.239 38.460 -0.255 0.000 0.980 258 Y HN 0.091 nan 8.280 nan 0.000 0.530 259 F N 1.759 121.776 119.950 0.111 0.000 2.898 259 F HA 0.238 4.765 4.527 0.001 0.000 0.290 259 F C 0.063 175.849 175.800 -0.023 0.000 1.195 259 F CA -0.542 57.460 58.000 0.004 0.000 1.387 259 F CB -0.718 38.345 39.000 0.106 0.000 0.976 259 F HN 0.003 nan 8.300 nan 0.000 0.510 260 N N 1.293 120.018 118.700 0.043 0.000 2.726 260 N HA -0.224 4.516 4.740 0.001 0.000 0.253 260 N C -0.819 174.723 175.510 0.053 0.000 1.059 260 N CA 0.987 54.046 53.050 0.016 0.000 0.701 260 N CB -1.395 37.090 38.487 -0.004 0.000 0.899 260 N HN 0.522 nan 8.380 nan 0.000 0.548 261 D N -2.503 117.940 120.400 0.072 0.000 2.755 261 D HA -0.227 4.414 4.640 0.001 0.000 0.227 261 D C 0.668 177.019 176.300 0.084 0.000 1.211 261 D CA 1.321 55.369 54.000 0.079 0.000 0.663 261 D CB -1.189 39.638 40.800 0.045 0.000 0.983 261 D HN 0.725 nan 8.370 nan 0.000 0.407 262 A N 1.110 124.007 122.820 0.128 0.000 2.483 262 A HA 0.370 4.691 4.320 0.001 0.000 0.238 262 A C -1.439 176.196 177.584 0.086 0.000 1.070 262 A CA -0.674 51.423 52.037 0.101 0.000 0.770 262 A CB 0.281 19.359 19.000 0.130 0.000 1.008 262 A HN 0.127 nan 8.150 nan 0.000 0.497 263 P HA 0.371 nan 4.420 nan 0.000 0.274 263 P C -0.940 176.399 177.300 0.066 0.000 1.246 263 P CA -0.257 62.873 63.100 0.048 0.000 0.795 263 P CB 0.823 32.537 31.700 0.024 0.000 1.006 264 L N 1.678 122.933 121.223 0.055 0.000 2.362 264 L HA 0.534 4.874 4.340 0.001 0.000 0.275 264 L C -1.113 175.762 176.870 0.008 0.000 0.998 264 L CA -0.834 54.037 54.840 0.051 0.000 0.820 264 L CB 1.406 43.495 42.059 0.050 0.000 1.270 264 L HN 0.240 nan 8.230 nan 0.000 0.415 265 L N 5.184 126.388 121.223 -0.032 0.000 2.287 265 L HA 0.870 5.210 4.340 0.001 0.000 0.287 265 L C -0.530 176.145 176.870 -0.324 0.000 1.022 265 L CA -0.292 54.455 54.840 -0.155 0.000 0.814 265 L CB 1.323 43.296 42.059 -0.144 0.000 1.217 265 L HN 0.859 nan 8.230 nan 0.000 0.420 266 A N 5.178 127.863 122.820 -0.225 0.000 2.318 266 A HA 0.668 4.988 4.320 0.001 0.000 0.324 266 A C -0.895 176.569 177.584 -0.199 0.000 1.170 266 A CA -0.515 51.401 52.037 -0.202 0.000 0.810 266 A CB 1.478 20.424 19.000 -0.090 0.000 1.198 266 A HN 0.460 nan 8.150 nan 0.000 0.484 267 V N 4.584 124.378 119.914 -0.201 0.000 2.406 267 V HA 0.279 4.400 4.120 0.001 0.000 0.272 267 V C -2.060 174.005 176.094 -0.048 0.000 1.043 267 V CA -1.267 60.971 62.300 -0.102 0.000 0.915 267 V CB 0.912 32.711 31.823 -0.040 0.000 0.988 267 V HN 0.814 nan 8.190 nan 0.000 0.466 268 P HA 0.181 nan 4.420 nan 0.000 0.268 268 P C 0.375 177.661 177.300 -0.023 0.000 1.205 268 P CA 0.197 63.282 63.100 -0.026 0.000 0.771 268 P CB 0.494 32.181 31.700 -0.022 0.000 0.858 269 G N 2.168 110.952 108.800 -0.028 0.000 2.483 269 G HA2 0.156 4.117 3.960 0.001 0.000 0.248 269 G HA3 0.156 4.117 3.960 0.001 0.000 0.248 269 G C 0.152 175.018 174.900 -0.056 0.000 1.248 269 G CA -0.503 44.578 45.100 -0.031 0.000 0.838 269 G HN 0.459 nan 8.290 nan 0.000 0.566 270 R N 0.736 121.195 120.500 -0.070 0.000 2.659 270 R HA 0.128 4.468 4.340 0.001 0.000 0.418 270 R C -0.075 176.105 176.300 -0.200 0.000 1.076 270 R CA -0.261 55.755 56.100 -0.139 0.000 1.093 270 R CB 0.785 31.017 30.300 -0.113 0.000 1.400 270 R HN 0.489 nan 8.270 nan 0.000 0.583 271 T N 1.256 115.737 114.554 -0.122 0.000 2.851 271 T HA 0.173 4.523 4.350 0.001 0.000 0.298 271 T C 0.017 174.645 174.700 -0.120 0.000 0.977 271 T CA 0.167 62.225 62.100 -0.070 0.000 1.126 271 T CB 0.367 69.234 68.868 -0.002 0.000 0.916 271 T HN 0.024 nan 8.240 nan 0.000 0.529 272 Y N 2.993 123.287 120.300 -0.010 0.000 2.426 272 Y HA 0.233 4.784 4.550 0.001 0.000 0.344 272 Y C -1.604 174.283 175.900 -0.022 0.000 1.256 272 Y CA -1.897 56.193 58.100 -0.016 0.000 1.451 272 Y CB -0.293 38.154 38.460 -0.022 0.000 1.342 272 Y HN 0.484 nan 8.280 nan 0.000 0.600 273 P HA 0.036 nan 4.420 nan 0.000 0.267 273 P C -1.241 176.087 177.300 0.046 0.000 1.200 273 P CA 0.126 63.267 63.100 0.067 0.000 0.772 273 P CB 0.490 32.224 31.700 0.057 0.000 0.855 274 V N 3.316 123.231 119.914 0.003 0.000 2.409 274 V HA 0.150 4.270 4.120 0.001 0.000 0.290 274 V C 0.138 176.190 176.094 -0.069 0.000 1.017 274 V CA -0.603 61.680 62.300 -0.028 0.000 0.841 274 V CB 1.283 33.088 31.823 -0.030 0.000 1.003 274 V HN 0.506 nan 8.190 nan 0.000 0.426 275 E N 5.141 125.296 120.200 -0.074 0.000 2.376 275 E HA 0.341 4.692 4.350 0.001 0.000 0.266 275 E C -0.901 175.545 176.600 -0.257 0.000 1.009 275 E CA -0.162 56.141 56.400 -0.160 0.000 0.902 275 E CB 1.044 30.672 29.700 -0.121 0.000 0.972 275 E HN 0.482 nan 8.360 nan 0.000 0.439 276 L N 3.890 124.890 121.223 -0.372 0.000 2.289 276 L HA 0.373 4.714 4.340 0.001 0.000 0.285 276 L C -0.681 175.775 176.870 -0.689 0.000 1.049 276 L CA -0.680 53.877 54.840 -0.472 0.000 0.804 276 L CB 0.316 42.125 42.059 -0.417 0.000 1.195 276 L HN 0.505 nan 8.230 nan 0.000 0.428 277 Y N 1.822 121.756 120.300 -0.610 0.000 2.429 277 Y HA 0.544 5.094 4.550 0.001 0.000 0.342 277 Y C -0.594 174.971 175.900 -0.559 0.000 1.004 277 Y CA -0.598 57.248 58.100 -0.423 0.000 1.075 277 Y CB 1.727 39.991 38.460 -0.327 0.000 1.214 277 Y HN 0.304 nan 8.280 nan 0.000 0.455 278 Y N -0.280 120.049 120.300 0.048 0.000 2.562 278 Y HA 0.473 5.024 4.550 0.001 0.000 0.343 278 Y C 0.227 176.168 175.900 0.069 0.000 1.025 278 Y CA -1.400 56.698 58.100 -0.004 0.000 1.082 278 Y CB 1.924 40.377 38.460 -0.012 0.000 1.264 278 Y HN 0.556 nan 8.280 nan 0.000 0.478 279 T N -1.283 113.405 114.554 0.223 0.000 2.889 279 T HA 0.225 4.576 4.350 0.001 0.000 0.291 279 T C -2.162 172.648 174.700 0.184 0.000 0.995 279 T CA -1.839 60.368 62.100 0.178 0.000 1.092 279 T CB 1.413 70.371 68.868 0.149 0.000 0.954 279 T HN 0.325 nan 8.240 nan 0.000 0.506 280 P HA -0.051 nan 4.420 nan 0.000 0.216 280 P C 0.211 177.592 177.300 0.135 0.000 1.150 280 P CA 1.243 64.418 63.100 0.126 0.000 0.843 280 P CB 0.166 31.927 31.700 0.102 0.000 0.787 281 E N -3.020 117.271 120.200 0.152 0.000 2.429 281 E HA 0.284 4.635 4.350 0.001 0.000 0.276 281 E C -0.784 175.962 176.600 0.243 0.000 0.953 281 E CA -1.309 55.203 56.400 0.188 0.000 0.787 281 E CB 0.645 30.442 29.700 0.161 0.000 1.307 281 E HN -0.193 nan 8.360 nan 0.000 0.458 282 F N 2.194 122.225 119.950 0.136 0.000 2.623 282 F HA -0.107 4.420 4.527 0.001 0.000 0.381 282 F C -0.020 175.877 175.800 0.161 0.000 1.081 282 F CA 0.474 58.570 58.000 0.160 0.000 1.293 282 F CB 0.431 39.511 39.000 0.133 0.000 1.006 282 F HN 0.172 nan 8.300 nan 0.000 0.578 283 Q N 6.349 125.811 119.800 -0.565 0.000 2.372 283 Q HA 0.158 4.499 4.340 0.001 0.000 0.259 283 Q C 0.841 176.298 176.000 -0.904 0.000 0.993 283 Q CA -0.550 54.970 55.803 -0.473 0.000 0.854 283 Q CB 1.546 30.221 28.738 -0.105 0.000 1.231 283 Q HN 0.759 nan 8.270 nan 0.000 0.462 284 R N 2.052 122.144 120.500 -0.679 0.000 2.090 284 R HA -0.036 4.304 4.340 0.001 0.000 0.228 284 R C -0.353 175.834 176.300 -0.188 0.000 1.110 284 R CA 1.410 57.239 56.100 -0.451 0.000 0.973 284 R CB 0.537 30.812 30.300 -0.043 0.000 0.869 284 R HN 0.416 nan 8.270 nan 0.000 0.440 285 D N 0.541 120.850 120.400 -0.152 0.000 2.464 285 D HA 0.044 4.684 4.640 0.001 0.000 0.243 285 D C 0.046 176.279 176.300 -0.111 0.000 1.104 285 D CA -0.334 53.577 54.000 -0.149 0.000 0.883 285 D CB 0.824 41.550 40.800 -0.123 0.000 1.050 285 D HN 0.283 nan 8.370 nan 0.000 0.524 286 Y N 0.874 121.130 120.300 -0.072 0.000 2.373 286 Y HA -0.050 4.501 4.550 0.001 0.000 0.293 286 Y C 1.759 177.661 175.900 0.003 0.000 1.129 286 Y CA 0.252 58.349 58.100 -0.006 0.000 1.226 286 Y CB -0.311 38.194 38.460 0.075 0.000 1.000 286 Y HN 0.253 nan 8.280 nan 0.000 0.549 287 L N 1.363 122.430 121.223 -0.260 0.000 2.027 287 L HA -0.108 4.232 4.340 0.001 0.000 0.206 287 L C 1.621 178.480 176.870 -0.019 0.000 1.074 287 L CA 2.081 56.868 54.840 -0.089 0.000 0.745 287 L CB -0.906 41.008 42.059 -0.240 0.000 0.898 287 L HN 0.126 nan 8.230 nan 0.000 0.433 288 D N -1.193 119.170 120.400 -0.061 0.000 2.178 288 D HA -0.154 4.487 4.640 0.001 0.000 0.202 288 D C 2.376 178.670 176.300 -0.010 0.000 0.974 288 D CA 1.287 55.266 54.000 -0.036 0.000 0.841 288 D CB -0.049 40.721 40.800 -0.050 0.000 0.953 288 D HN 0.404 nan 8.370 nan 0.000 0.478 289 S N -0.025 115.682 115.700 0.010 0.000 2.370 289 S HA -0.176 4.295 4.470 0.001 0.000 0.226 289 S C 2.016 176.638 174.600 0.037 0.000 1.033 289 S CA 1.529 59.746 58.200 0.028 0.000 1.011 289 S CB -0.132 63.103 63.200 0.058 0.000 0.852 289 S HN 0.255 nan 8.310 nan 0.000 0.457 290 A N 1.218 124.088 122.820 0.084 0.000 1.877 290 A HA 0.013 4.334 4.320 0.001 0.000 0.216 290 A C 2.133 179.726 177.584 0.016 0.000 1.186 290 A CA 1.522 53.608 52.037 0.082 0.000 0.620 290 A CB -0.790 18.307 19.000 0.162 0.000 0.822 290 A HN 0.612 nan 8.150 nan 0.000 0.443 291 I N -0.815 119.760 120.570 0.008 0.000 2.179 291 I HA -0.281 3.890 4.170 0.001 0.000 0.242 291 I C 2.785 178.874 176.117 -0.046 0.000 1.088 291 I CA 1.435 62.723 61.300 -0.021 0.000 1.357 291 I CB -0.322 37.665 38.000 -0.021 0.000 1.051 291 I HN 0.283 nan 8.210 nan 0.000 0.409 292 R N -0.034 120.438 120.500 -0.046 0.000 2.091 292 R HA -0.146 4.194 4.340 0.001 0.000 0.238 292 R C 2.293 178.527 176.300 -0.109 0.000 1.136 292 R CA 2.000 58.060 56.100 -0.066 0.000 0.959 292 R CB -0.700 29.568 30.300 -0.054 0.000 0.856 292 R HN 0.374 nan 8.270 nan 0.000 0.437 293 T N 0.689 115.168 114.554 -0.125 0.000 2.777 293 T HA -0.083 4.267 4.350 0.001 0.000 0.266 293 T C 2.027 176.567 174.700 -0.267 0.000 1.040 293 T CA 1.174 63.133 62.100 -0.235 0.000 1.141 293 T CB -0.170 68.563 68.868 -0.225 0.000 0.868 293 T HN -0.014 nan 8.240 nan 0.000 0.444 294 V N 1.613 121.430 119.914 -0.163 0.000 2.255 294 V HA -0.156 3.964 4.120 0.001 0.000 0.247 294 V C 2.486 178.501 176.094 -0.130 0.000 1.051 294 V CA 1.640 63.855 62.300 -0.141 0.000 1.018 294 V CB -0.650 31.123 31.823 -0.083 0.000 0.641 294 V HN 0.435 nan 8.190 nan 0.000 0.445 295 L N -0.184 120.980 121.223 -0.099 0.000 2.141 295 L HA -0.193 4.147 4.340 0.001 0.000 0.209 295 L C 2.670 179.490 176.870 -0.082 0.000 1.094 295 L CA 1.647 56.455 54.840 -0.053 0.000 0.763 295 L CB -0.639 41.393 42.059 -0.045 0.000 0.908 295 L HN 0.440 nan 8.230 nan 0.000 0.437 296 Q N 0.988 120.696 119.800 -0.153 0.000 2.079 296 Q HA -0.214 4.126 4.340 0.001 0.000 0.200 296 Q C 2.274 178.122 176.000 -0.253 0.000 0.974 296 Q CA 1.783 57.469 55.803 -0.196 0.000 0.840 296 Q CB -0.117 28.479 28.738 -0.237 0.000 0.898 296 Q HN 0.544 nan 8.270 nan 0.000 0.430 297 I N 0.548 120.913 120.570 -0.341 0.000 2.179 297 I HA -0.291 3.880 4.170 0.001 0.000 0.242 297 I C 2.601 178.555 176.117 -0.272 0.000 1.088 297 I CA 1.587 62.634 61.300 -0.422 0.000 1.357 297 I CB -0.498 37.182 38.000 -0.534 0.000 1.051 297 I HN 0.341 nan 8.210 nan 0.000 0.409 298 H N 1.178 120.094 119.070 -0.256 0.000 2.387 298 H HA -0.119 4.437 4.556 0.001 0.000 0.299 298 H C 2.032 177.272 175.328 -0.147 0.000 1.099 298 H CA 1.740 57.680 56.048 -0.179 0.000 1.315 298 H CB -0.003 29.682 29.762 -0.129 0.000 1.380 298 H HN 0.318 nan 8.280 nan 0.000 0.513 299 A N -1.040 121.637 122.820 -0.239 0.000 2.021 299 A HA 0.008 4.329 4.320 0.001 0.000 0.216 299 A C 2.286 179.740 177.584 -0.217 0.000 1.163 299 A CA 1.593 53.468 52.037 -0.269 0.000 0.676 299 A CB -0.352 18.554 19.000 -0.157 0.000 0.818 299 A HN 0.641 nan 8.150 nan 0.000 0.453 300 T N -4.045 110.392 114.554 -0.196 0.000 2.954 300 T HA 0.197 4.548 4.350 0.001 0.000 0.252 300 T C 0.384 175.004 174.700 -0.133 0.000 0.983 300 T CA -0.213 61.798 62.100 -0.147 0.000 0.941 300 T CB 0.117 68.910 68.868 -0.125 0.000 1.141 300 T HN 0.214 nan 8.240 nan 0.000 0.500 301 E N 1.941 122.031 120.200 -0.183 0.000 2.280 301 E HA 0.383 4.734 4.350 0.001 0.000 0.264 301 E C -0.139 176.430 176.600 -0.051 0.000 1.064 301 E CA -0.539 55.778 56.400 -0.139 0.000 0.900 301 E CB 0.980 30.453 29.700 -0.378 0.000 1.123 301 E HN 0.376 nan 8.360 nan 0.000 0.418 302 E N 0.308 120.551 120.200 0.071 0.000 2.391 302 E HA 0.227 4.577 4.350 0.001 0.000 0.255 302 E C -0.137 176.559 176.600 0.160 0.000 1.187 302 E CA -0.278 56.177 56.400 0.093 0.000 0.941 302 E CB 0.446 30.206 29.700 0.101 0.000 1.010 302 E HN 0.551 nan 8.360 nan 0.000 0.458 303 A N 0.248 123.134 122.820 0.109 0.000 2.613 303 A HA 0.379 4.700 4.320 0.001 0.000 0.230 303 A C 0.665 178.368 177.584 0.198 0.000 1.051 303 A CA 1.033 53.142 52.037 0.121 0.000 0.754 303 A CB -0.206 18.831 19.000 0.062 0.000 0.979 303 A HN 0.654 nan 8.150 nan 0.000 0.510 304 G N 1.922 110.851 108.800 0.215 0.000 2.249 304 G HA2 0.384 4.345 3.960 0.001 0.000 0.252 304 G HA3 0.384 4.345 3.960 0.001 0.000 0.252 304 G C -1.223 173.852 174.900 0.291 0.000 1.697 304 G CA -0.585 44.639 45.100 0.206 0.000 0.916 304 G HN 0.753 nan 8.290 nan 0.000 0.725 305 D N 0.428 120.923 120.400 0.158 0.000 2.383 305 D HA 0.597 5.238 4.640 0.001 0.000 0.248 305 D C 0.621 177.041 176.300 0.199 0.000 1.170 305 D CA 0.124 54.214 54.000 0.149 0.000 0.977 305 D CB 1.661 42.507 40.800 0.076 0.000 1.120 305 D HN 0.390 nan 8.370 nan 0.000 0.481 306 I N 0.918 121.571 120.570 0.139 0.000 2.474 306 I HA 0.208 4.379 4.170 0.001 0.000 0.294 306 I C -0.801 175.340 176.117 0.039 0.000 1.005 306 I CA -1.013 60.368 61.300 0.136 0.000 1.113 306 I CB 1.933 39.980 38.000 0.078 0.000 1.289 306 I HN -0.014 nan 8.210 nan 0.000 0.436 307 L N 7.599 128.834 121.223 0.020 0.000 2.294 307 L HA 0.529 4.869 4.340 0.001 0.000 0.283 307 L C -1.195 175.593 176.870 -0.137 0.000 1.015 307 L CA -0.514 54.253 54.840 -0.121 0.000 0.831 307 L CB 1.331 43.293 42.059 -0.163 0.000 1.217 307 L HN 0.480 nan 8.230 nan 0.000 0.420 308 L N 5.433 126.566 121.223 -0.151 0.000 2.282 308 L HA 0.590 4.931 4.340 0.001 0.000 0.288 308 L C -1.257 175.532 176.870 -0.135 0.000 1.033 308 L CA 0.148 54.954 54.840 -0.057 0.000 0.807 308 L CB 0.884 42.945 42.059 0.004 0.000 1.209 308 L HN 0.434 nan 8.230 nan 0.000 0.423 309 F N 6.056 126.063 119.950 0.096 0.000 2.404 309 F HA 0.497 5.024 4.527 0.001 0.000 0.358 309 F C 0.214 176.083 175.800 0.114 0.000 1.120 309 F CA -0.021 58.039 58.000 0.100 0.000 1.144 309 F CB 0.777 39.835 39.000 0.097 0.000 1.133 309 F HN 0.400 nan 8.300 nan 0.000 0.495 310 L N 1.085 122.466 121.223 0.264 0.000 2.305 310 L HA 0.518 4.859 4.340 0.001 0.000 0.261 310 L C 1.151 178.160 176.870 0.232 0.000 1.100 310 L CA -0.490 54.495 54.840 0.242 0.000 1.073 310 L CB 1.756 43.939 42.059 0.208 0.000 1.656 310 L HN 0.575 nan 8.230 nan 0.000 0.536 311 T N -3.796 110.880 114.554 0.202 0.000 2.954 311 T HA 0.457 4.808 4.350 0.001 0.000 0.252 311 T C 0.315 175.092 174.700 0.129 0.000 0.983 311 T CA 0.290 62.496 62.100 0.178 0.000 0.941 311 T CB 0.853 69.833 68.868 0.187 0.000 1.141 311 T HN 0.749 nan 8.240 nan 0.000 0.500 312 G N 0.841 109.695 108.800 0.091 0.000 2.550 312 G HA2 0.450 4.411 3.960 0.001 0.000 0.293 312 G HA3 0.450 4.411 3.960 0.001 0.000 0.293 312 G C -0.007 174.827 174.900 -0.111 0.000 1.402 312 G CA -0.065 45.041 45.100 0.010 0.000 0.784 312 G HN 0.156 nan 8.290 nan 0.000 0.482 313 E N -0.352 119.660 120.200 -0.313 0.000 2.072 313 E HA -0.088 4.263 4.350 0.001 0.000 0.190 313 E C 0.933 177.311 176.600 -0.370 0.000 0.982 313 E CA 1.359 57.319 56.400 -0.734 0.000 0.803 313 E CB 0.019 28.990 29.700 -1.214 0.000 0.755 313 E HN 0.272 nan 8.360 nan 0.000 0.453 314 D N 1.346 121.626 120.400 -0.199 0.000 2.097 314 D HA -0.187 4.453 4.640 0.001 0.000 0.197 314 D C 1.914 178.184 176.300 -0.050 0.000 0.984 314 D CA 1.380 55.321 54.000 -0.100 0.000 0.826 314 D CB -0.252 40.511 40.800 -0.062 0.000 0.973 314 D HN 0.413 nan 8.370 nan 0.000 0.460 315 E N 0.386 120.567 120.200 -0.033 0.000 2.110 315 E HA -0.145 4.206 4.350 0.001 0.000 0.193 315 E C 2.240 178.859 176.600 0.032 0.000 0.988 315 E CA 0.625 57.028 56.400 0.005 0.000 0.804 315 E CB -0.100 29.622 29.700 0.036 0.000 0.745 315 E HN 0.234 nan 8.360 nan 0.000 0.458 316 I N 1.223 121.820 120.570 0.045 0.000 2.252 316 I HA -0.230 3.941 4.170 0.001 0.000 0.245 316 I C 2.413 178.590 176.117 0.100 0.000 1.102 316 I CA 0.979 62.342 61.300 0.105 0.000 1.385 316 I CB -0.223 37.902 38.000 0.208 0.000 1.064 316 I HN 0.113 nan 8.210 nan 0.000 0.414 317 E N 0.447 120.697 120.200 0.084 0.000 2.110 317 E HA -0.276 4.074 4.350 0.001 0.000 0.193 317 E C 1.630 178.253 176.600 0.038 0.000 0.988 317 E CA 1.449 57.898 56.400 0.082 0.000 0.804 317 E CB -0.382 29.359 29.700 0.069 0.000 0.745 317 E HN 0.486 nan 8.360 nan 0.000 0.458 318 D N 0.516 120.928 120.400 0.019 0.000 2.097 318 D HA -0.107 4.533 4.640 0.001 0.000 0.195 318 D C 1.877 178.180 176.300 0.003 0.000 0.989 318 D CA 1.695 55.698 54.000 0.005 0.000 0.827 318 D CB -0.047 40.750 40.800 -0.006 0.000 0.966 318 D HN 0.115 nan 8.370 nan 0.000 0.456 319 A N -0.173 122.656 122.820 0.015 0.000 1.902 319 A HA -0.103 4.218 4.320 0.001 0.000 0.217 319 A C 2.536 180.119 177.584 -0.001 0.000 1.181 319 A CA 1.548 53.592 52.037 0.012 0.000 0.623 319 A CB -0.853 18.167 19.000 0.035 0.000 0.818 319 A HN 0.210 nan 8.150 nan 0.000 0.443 320 V N 0.040 119.960 119.914 0.009 0.000 2.287 320 V HA -0.305 3.816 4.120 0.001 0.000 0.248 320 V C 2.673 178.748 176.094 -0.032 0.000 1.053 320 V CA 2.379 64.670 62.300 -0.015 0.000 1.027 320 V CB -0.810 31.015 31.823 0.004 0.000 0.646 320 V HN 0.534 nan 8.190 nan 0.000 0.447 321 R N -0.108 120.382 120.500 -0.017 0.000 2.073 321 R HA -0.174 4.167 4.340 0.001 0.000 0.234 321 R C 2.441 178.722 176.300 -0.031 0.000 1.134 321 R CA 1.691 57.776 56.100 -0.024 0.000 0.952 321 R CB -0.315 29.977 30.300 -0.013 0.000 0.850 321 R HN 0.511 nan 8.270 nan 0.000 0.433 322 K N 0.272 120.656 120.400 -0.027 0.000 2.057 322 K HA -0.068 4.253 4.320 0.001 0.000 0.206 322 K C 2.104 178.681 176.600 -0.039 0.000 1.050 322 K CA 1.181 57.450 56.287 -0.030 0.000 0.935 322 K CB -0.095 32.389 32.500 -0.026 0.000 0.715 322 K HN 0.141 nan 8.250 nan 0.000 0.439 323 I N 0.896 121.439 120.570 -0.045 0.000 2.252 323 I HA -0.264 3.906 4.170 0.001 0.000 0.245 323 I C 2.162 178.232 176.117 -0.078 0.000 1.102 323 I CA 1.015 62.278 61.300 -0.061 0.000 1.385 323 I CB -0.163 37.797 38.000 -0.067 0.000 1.064 323 I HN 0.073 nan 8.210 nan 0.000 0.414 324 S N 0.835 116.486 115.700 -0.082 0.000 2.368 324 S HA -0.188 4.283 4.470 0.001 0.000 0.225 324 S C 1.892 176.452 174.600 -0.068 0.000 1.030 324 S CA 1.356 59.501 58.200 -0.092 0.000 0.999 324 S CB -0.398 62.748 63.200 -0.091 0.000 0.844 324 S HN 0.311 nan 8.310 nan 0.000 0.459 325 L N 2.046 123.237 121.223 -0.052 0.000 1.994 325 L HA -0.057 4.283 4.340 0.001 0.000 0.208 325 L C 2.060 178.909 176.870 -0.035 0.000 1.071 325 L CA 1.864 56.680 54.840 -0.039 0.000 0.745 325 L CB -0.715 41.325 42.059 -0.032 0.000 0.892 325 L HN 0.243 nan 8.230 nan 0.000 0.431 326 E N -0.708 119.470 120.200 -0.036 0.000 2.208 326 E HA -0.108 4.243 4.350 0.001 0.000 0.193 326 E C 2.036 178.623 176.600 -0.022 0.000 0.988 326 E CA 0.777 57.160 56.400 -0.028 0.000 0.828 326 E CB -0.375 29.306 29.700 -0.030 0.000 0.763 326 E HN 0.705 nan 8.360 nan 0.000 0.478 327 G N 1.567 110.344 108.800 -0.038 0.000 2.402 327 G HA2 -0.315 3.646 3.960 0.001 0.000 0.216 327 G HA3 -0.315 3.646 3.960 0.001 0.000 0.216 327 G C 1.289 176.182 174.900 -0.012 0.000 1.162 327 G CA 1.085 46.165 45.100 -0.033 0.000 0.777 327 G HN 0.213 nan 8.290 nan 0.000 0.539 328 D N 0.060 120.444 120.400 -0.027 0.000 2.144 328 D HA -0.084 4.556 4.640 0.001 0.000 0.199 328 D C 2.558 178.853 176.300 -0.008 0.000 0.984 328 D CA 1.056 55.045 54.000 -0.018 0.000 0.834 328 D CB -0.137 40.648 40.800 -0.026 0.000 0.955 328 D HN 0.420 nan 8.370 nan 0.000 0.465 329 Q N -0.466 119.327 119.800 -0.011 0.000 2.124 329 Q HA -0.086 4.255 4.340 0.001 0.000 0.202 329 Q C 2.395 178.393 176.000 -0.003 0.000 0.977 329 Q CA 0.858 56.656 55.803 -0.009 0.000 0.850 329 Q CB -0.024 28.706 28.738 -0.013 0.000 0.901 329 Q HN 0.386 nan 8.270 nan 0.000 0.429 330 L N -0.314 120.912 121.223 0.005 0.000 2.093 330 L HA -0.160 4.180 4.340 0.001 0.000 0.208 330 L C 2.311 179.188 176.870 0.012 0.000 1.085 330 L CA 0.535 55.381 54.840 0.010 0.000 0.755 330 L CB -0.376 41.703 42.059 0.033 0.000 0.904 330 L HN 0.102 nan 8.230 nan 0.000 0.435 331 V N 0.161 120.092 119.914 0.027 0.000 2.231 331 V HA -0.349 3.772 4.120 0.001 0.000 0.248 331 V C 2.608 178.708 176.094 0.009 0.000 1.054 331 V CA 2.025 64.340 62.300 0.025 0.000 1.015 331 V CB -0.576 31.265 31.823 0.029 0.000 0.638 331 V HN 0.439 nan 8.190 nan 0.000 0.444 332 R N -0.613 119.890 120.500 0.004 0.000 2.115 332 R HA -0.105 4.236 4.340 0.001 0.000 0.226 332 R C 2.171 178.468 176.300 -0.004 0.000 1.100 332 R CA 1.395 57.495 56.100 -0.000 0.000 0.980 332 R CB -0.140 30.158 30.300 -0.003 0.000 0.875 332 R HN 0.623 nan 8.270 nan 0.000 0.445 333 E N -0.395 119.801 120.200 -0.006 0.000 2.276 333 E HA -0.032 4.319 4.350 0.001 0.000 0.193 333 E C 0.926 177.518 176.600 -0.014 0.000 0.983 333 E CA 0.483 56.877 56.400 -0.010 0.000 0.861 333 E CB 0.563 30.256 29.700 -0.012 0.000 0.817 333 E HN 0.148 nan 8.360 nan 0.000 0.485 334 E N -0.847 119.344 120.200 -0.016 0.000 2.641 334 E HA 0.123 4.474 4.350 0.001 0.000 0.224 334 E C 0.679 177.263 176.600 -0.027 0.000 0.951 334 E CA 0.403 56.788 56.400 -0.024 0.000 1.102 334 E CB 1.297 30.977 29.700 -0.034 0.000 1.091 334 E HN 0.241 nan 8.360 nan 0.000 0.507 335 G N 2.186 110.976 108.800 -0.016 0.000 2.321 335 G HA2 -0.357 3.603 3.960 0.001 0.000 0.287 335 G HA3 -0.357 3.603 3.960 0.001 0.000 0.287 335 G C 0.737 175.621 174.900 -0.027 0.000 1.018 335 G CA 0.651 45.743 45.100 -0.013 0.000 0.855 335 G HN 0.323 nan 8.290 nan 0.000 0.507 336 C N -0.459 118.817 119.300 -0.041 0.000 2.801 336 C HA 0.514 4.975 4.460 0.001 0.000 0.376 336 C C 1.911 176.890 174.990 -0.018 0.000 1.323 336 C CA 0.329 59.294 59.018 -0.088 0.000 2.170 336 C CB -0.005 27.661 27.740 -0.124 0.000 2.650 336 C HN 0.913 nan 8.230 nan 0.000 0.736 337 G N 1.721 110.507 108.800 -0.023 0.000 2.599 337 G HA2 0.464 4.425 3.960 0.001 0.000 0.264 337 G HA3 0.464 4.425 3.960 0.001 0.000 0.264 337 G C -2.438 172.569 174.900 0.178 0.000 1.200 337 G CA -0.479 44.662 45.100 0.068 0.000 0.896 337 G HN 0.646 nan 8.290 nan 0.000 0.536 338 P HA 0.124 nan 4.420 nan 0.000 0.267 338 P C -0.844 176.455 177.300 -0.002 0.000 1.200 338 P CA -0.168 62.962 63.100 0.050 0.000 0.772 338 P CB 1.304 33.018 31.700 0.023 0.000 0.855 339 L N 2.702 123.854 121.223 -0.118 0.000 2.372 339 L HA 0.359 4.700 4.340 0.001 0.000 0.273 339 L C -0.125 176.617 176.870 -0.213 0.000 0.989 339 L CA -0.341 54.324 54.840 -0.293 0.000 0.841 339 L CB 1.330 43.077 42.059 -0.519 0.000 1.225 339 L HN 0.440 nan 8.230 nan 0.000 0.414 340 S N 3.754 119.342 115.700 -0.186 0.000 2.616 340 S HA 0.891 5.362 4.470 0.001 0.000 0.277 340 S C -0.492 173.881 174.600 -0.377 0.000 1.234 340 S CA -0.653 57.382 58.200 -0.275 0.000 1.028 340 S CB 1.817 64.909 63.200 -0.180 0.000 0.988 340 S HN 0.459 nan 8.310 nan 0.000 0.522 341 V N 2.566 122.108 119.914 -0.621 0.000 2.612 341 V HA 0.449 4.570 4.120 0.001 0.000 0.301 341 V C -1.797 173.948 176.094 -0.581 0.000 1.059 341 V CA -0.637 61.408 62.300 -0.426 0.000 0.886 341 V CB 0.950 32.622 31.823 -0.252 0.000 1.007 341 V HN 0.940 nan 8.190 nan 0.000 0.426 342 Y N 5.539 125.790 120.300 -0.080 0.000 2.442 342 Y HA 0.677 5.227 4.550 0.001 0.000 0.344 342 Y C -2.422 173.421 175.900 -0.095 0.000 0.976 342 Y CA -2.567 55.479 58.100 -0.091 0.000 1.040 342 Y CB 2.801 41.185 38.460 -0.126 0.000 1.228 342 Y HN 0.406 nan 8.280 nan 0.000 0.451 343 P HA 0.403 nan 4.420 nan 0.000 0.282 343 P C -1.394 175.817 177.300 -0.147 0.000 1.259 343 P CA -0.489 62.609 63.100 -0.004 0.000 0.826 343 P CB 2.301 34.021 31.700 0.033 0.000 1.064 344 L N 3.623 124.759 121.223 -0.145 0.000 2.528 344 L HA 0.511 4.851 4.340 0.001 0.000 0.267 344 L C -1.429 175.395 176.870 -0.076 0.000 0.961 344 L CA -0.631 54.078 54.840 -0.218 0.000 0.866 344 L CB 0.798 42.768 42.059 -0.149 0.000 1.248 344 L HN 0.448 nan 8.230 nan 0.000 0.404 345 Y N 1.520 121.828 120.300 0.014 0.000 2.744 345 Y HA 0.714 5.265 4.550 0.001 0.000 0.330 345 Y C 0.859 176.774 175.900 0.025 0.000 1.263 345 Y CA -0.839 57.279 58.100 0.030 0.000 1.065 345 Y CB 0.614 39.098 38.460 0.039 0.000 1.306 345 Y HN 0.310 nan 8.280 nan 0.000 0.459 346 G N -0.049 108.937 108.800 0.309 0.000 2.443 346 G HA2 -0.130 3.830 3.960 0.001 0.000 0.219 346 G HA3 -0.130 3.830 3.960 0.001 0.000 0.219 346 G C 1.080 176.076 174.900 0.160 0.000 1.131 346 G CA 1.127 46.328 45.100 0.168 0.000 0.775 346 G HN 0.894 nan 8.290 nan 0.000 0.547 347 S N -0.752 115.115 115.700 0.278 0.000 2.556 347 S HA 0.343 4.813 4.470 0.001 0.000 0.216 347 S C 0.690 175.388 174.600 0.163 0.000 0.970 347 S CA -0.575 57.745 58.200 0.201 0.000 0.912 347 S CB 0.050 63.366 63.200 0.194 0.000 0.790 347 S HN 0.068 nan 8.310 nan 0.000 0.504 348 L N 3.261 124.529 121.223 0.075 0.000 2.453 348 L HA 0.409 4.750 4.340 0.001 0.000 0.272 348 L C -2.524 174.324 176.870 -0.037 0.000 1.182 348 L CA -1.691 53.103 54.840 -0.076 0.000 0.858 348 L CB -0.019 41.814 42.059 -0.377 0.000 1.120 348 L HN 0.012 nan 8.230 nan 0.000 0.474 349 P HA 0.104 nan 4.420 nan 0.000 0.269 349 P C -2.104 175.159 177.300 -0.062 0.000 1.209 349 P CA -0.919 62.163 63.100 -0.030 0.000 0.776 349 P CB 0.069 31.768 31.700 -0.002 0.000 0.876 350 P HA -0.191 nan 4.420 nan 0.000 0.216 350 P C 0.989 178.321 177.300 0.053 0.000 1.150 350 P CA 1.884 64.956 63.100 -0.046 0.000 0.837 350 P CB -0.317 31.366 31.700 -0.029 0.000 0.786 351 H N -0.463 118.636 119.070 0.048 0.000 2.423 351 H HA -0.032 4.525 4.556 0.001 0.000 0.297 351 H C 2.336 177.676 175.328 0.020 0.000 1.075 351 H CA 0.673 56.748 56.048 0.044 0.000 1.342 351 H CB -0.145 29.650 29.762 0.055 0.000 1.395 351 H HN 0.261 nan 8.280 nan 0.000 0.530 352 Q N 0.608 120.470 119.800 0.102 0.000 2.137 352 Q HA -0.130 4.210 4.340 0.001 0.000 0.198 352 Q C 2.142 178.116 176.000 -0.043 0.000 0.960 352 Q CA 0.763 56.584 55.803 0.030 0.000 0.847 352 Q CB 0.103 28.842 28.738 0.001 0.000 0.915 352 Q HN 0.608 nan 8.270 nan 0.000 0.448 353 Q N 0.264 120.032 119.800 -0.055 0.000 2.112 353 Q HA -0.207 4.133 4.340 0.001 0.000 0.206 353 Q C 2.078 178.032 176.000 -0.078 0.000 0.987 353 Q CA 1.061 56.808 55.803 -0.092 0.000 0.858 353 Q CB 0.008 28.719 28.738 -0.045 0.000 0.905 353 Q HN 0.298 nan 8.270 nan 0.000 0.420 354 Q N 0.339 120.163 119.800 0.040 0.000 2.291 354 Q HA -0.111 4.230 4.340 0.001 0.000 0.206 354 Q C 1.831 177.820 176.000 -0.019 0.000 0.976 354 Q CA 1.117 57.005 55.803 0.141 0.000 0.875 354 Q CB -0.123 28.701 28.738 0.143 0.000 0.927 354 Q HN 0.400 nan 8.270 nan 0.000 0.450 355 R N 0.706 121.118 120.500 -0.147 0.000 2.152 355 R HA -0.077 4.263 4.340 0.001 0.000 0.232 355 R C 2.407 178.206 176.300 -0.835 0.000 1.117 355 R CA 1.193 57.090 56.100 -0.337 0.000 0.981 355 R CB -0.679 29.543 30.300 -0.129 0.000 0.870 355 R HN 0.411 nan 8.270 nan 0.000 0.451 356 I N -2.234 117.894 120.570 -0.736 0.000 2.700 356 I HA -0.146 4.024 4.170 0.001 0.000 0.261 356 I C 0.805 176.434 176.117 -0.813 0.000 1.219 356 I CA 1.371 62.147 61.300 -0.873 0.000 1.463 356 I CB -0.216 37.323 38.000 -0.768 0.000 1.092 356 I HN -0.089 nan 8.210 nan 0.000 0.452 357 F N 1.878 121.651 119.950 -0.296 0.000 2.765 357 F HA 0.313 4.841 4.527 0.001 0.000 0.302 357 F C 1.077 176.769 175.800 -0.181 0.000 1.111 357 F CA -0.503 57.385 58.000 -0.187 0.000 1.359 357 F CB -0.543 38.380 39.000 -0.128 0.000 1.097 357 F HN 0.077 nan 8.300 nan 0.000 0.577 358 E N 2.953 123.047 120.200 -0.176 0.000 2.392 358 E HA 0.070 4.420 4.350 0.001 0.000 0.264 358 E C -2.040 174.550 176.600 -0.016 0.000 1.024 358 E CA -1.856 54.492 56.400 -0.087 0.000 0.903 358 E CB 0.138 29.767 29.700 -0.119 0.000 0.963 358 E HN -0.059 nan 8.360 nan 0.000 0.432 359 P HA -0.011 nan 4.420 nan 0.000 0.269 359 P C -0.823 176.513 177.300 0.061 0.000 1.209 359 P CA -0.156 62.966 63.100 0.037 0.000 0.776 359 P CB 0.595 32.312 31.700 0.029 0.000 0.876 360 A N 4.872 127.727 122.820 0.059 0.000 2.520 360 A HA 0.275 4.595 4.320 0.001 0.000 0.235 360 A C -1.666 175.944 177.584 0.044 0.000 1.065 360 A CA -0.723 51.352 52.037 0.064 0.000 0.764 360 A CB -1.481 17.549 19.000 0.050 0.000 1.002 360 A HN 0.483 nan 8.150 nan 0.000 0.502 361 P HA 0.117 nan 4.420 nan 0.000 0.271 361 P C -0.449 176.837 177.300 -0.024 0.000 1.218 361 P CA -0.313 62.796 63.100 0.016 0.000 0.780 361 P CB 0.579 32.287 31.700 0.014 0.000 0.901 362 E N 1.469 121.629 120.200 -0.066 0.000 2.290 362 E HA 0.140 4.491 4.350 0.001 0.000 0.277 362 E C -0.259 176.147 176.600 -0.322 0.000 1.035 362 E CA -0.337 55.959 56.400 -0.173 0.000 0.873 362 E CB 0.516 30.098 29.700 -0.195 0.000 1.029 362 E HN 0.315 nan 8.360 nan 0.000 0.419 363 S N 3.186 118.736 115.700 -0.249 0.000 2.580 363 S HA 0.099 4.569 4.470 0.001 0.000 0.274 363 S C -0.074 174.302 174.600 -0.373 0.000 1.329 363 S CA -0.193 57.878 58.200 -0.216 0.000 1.036 363 S CB 0.440 63.591 63.200 -0.083 0.000 0.919 363 S HN 0.651 nan 8.310 nan 0.000 0.515 364 H N 1.717 120.793 119.070 0.010 0.000 2.662 364 H HA 0.280 4.837 4.556 0.001 0.000 0.268 364 H C 0.121 175.450 175.328 0.002 0.000 1.152 364 H CA -0.236 55.815 56.048 0.005 0.000 1.072 364 H CB 0.260 30.025 29.762 0.005 0.000 1.660 364 H HN 0.663 nan 8.280 nan 0.000 0.584 365 N N -1.244 117.493 118.700 0.062 0.000 2.301 365 N HA 0.148 4.889 4.740 0.001 0.000 0.247 365 N C 1.123 176.639 175.510 0.010 0.000 1.347 365 N CA 0.331 53.405 53.050 0.041 0.000 0.844 365 N CB 0.690 39.201 38.487 0.039 0.000 1.332 365 N HN 0.188 nan 8.380 nan 0.000 0.494 366 G N 0.217 109.017 108.800 -0.001 0.000 2.284 366 G HA2 -0.312 3.648 3.960 0.001 0.000 0.247 366 G HA3 -0.312 3.648 3.960 0.001 0.000 0.247 366 G C -0.037 174.849 174.900 -0.023 0.000 1.012 366 G CA 0.144 45.237 45.100 -0.010 0.000 0.618 366 G HN 0.512 nan 8.290 nan 0.000 0.521 367 R N 1.217 121.698 120.500 -0.031 0.000 2.732 367 R HA 0.549 4.889 4.340 0.001 0.000 0.278 367 R C -2.565 173.709 176.300 -0.044 0.000 0.976 367 R CA -1.934 54.135 56.100 -0.052 0.000 0.963 367 R CB 1.655 31.905 30.300 -0.083 0.000 1.150 367 R HN 0.089 nan 8.270 nan 0.000 0.478 368 P HA 0.027 nan 4.420 nan 0.000 0.271 368 P C -0.156 177.176 177.300 0.054 0.000 1.216 368 P CA -0.119 62.980 63.100 -0.002 0.000 0.771 368 P CB 0.742 32.448 31.700 0.010 0.000 0.864 369 G N 3.069 111.898 108.800 0.048 0.000 2.569 369 G HA2 0.411 4.372 3.960 0.001 0.000 0.249 369 G HA3 0.411 4.372 3.960 0.001 0.000 0.249 369 G C -0.408 174.551 174.900 0.099 0.000 1.216 369 G CA -0.325 44.820 45.100 0.076 0.000 0.845 369 G HN 0.608 nan 8.290 nan 0.000 0.568 370 R N -0.274 120.269 120.500 0.072 0.000 2.663 370 R HA 0.411 4.752 4.340 0.001 0.000 0.267 370 R C -1.364 174.922 176.300 -0.022 0.000 1.038 370 R CA -0.821 55.309 56.100 0.050 0.000 0.886 370 R CB 1.804 32.171 30.300 0.111 0.000 1.249 370 R HN 0.571 nan 8.270 nan 0.000 0.463 371 K N 2.473 122.885 120.400 0.019 0.000 2.259 371 K HA 0.525 4.846 4.320 0.001 0.000 0.252 371 K C -1.488 175.120 176.600 0.014 0.000 0.936 371 K CA -0.634 55.678 56.287 0.040 0.000 0.810 371 K CB 1.995 34.571 32.500 0.127 0.000 1.143 371 K HN 0.280 nan 8.250 nan 0.000 0.427 372 V N 3.915 123.819 119.914 -0.016 0.000 2.448 372 V HA 0.357 4.478 4.120 0.001 0.000 0.295 372 V C -0.630 175.477 176.094 0.022 0.000 1.025 372 V CA -0.999 61.289 62.300 -0.020 0.000 0.859 372 V CB 1.591 33.368 31.823 -0.076 0.000 0.988 372 V HN 0.524 nan 8.190 nan 0.000 0.431 373 V N 6.155 126.070 119.914 0.002 0.000 2.398 373 V HA 0.495 4.616 4.120 0.001 0.000 0.286 373 V C -0.131 175.918 176.094 -0.074 0.000 1.026 373 V CA -0.357 61.933 62.300 -0.017 0.000 0.868 373 V CB 1.713 33.482 31.823 -0.089 0.000 0.982 373 V HN 0.703 nan 8.190 nan 0.000 0.443 374 I N 4.277 124.822 120.570 -0.042 0.000 2.359 374 I HA 0.450 4.620 4.170 0.001 0.000 0.284 374 I C 0.126 176.233 176.117 -0.017 0.000 1.018 374 I CA 0.227 61.508 61.300 -0.031 0.000 1.173 374 I CB 1.434 39.444 38.000 0.016 0.000 1.326 374 I HN 0.629 nan 8.210 nan 0.000 0.462 375 S N 4.044 119.699 115.700 -0.075 0.000 2.568 375 S HA 0.636 5.107 4.470 0.001 0.000 0.293 375 S C 0.116 174.764 174.600 0.080 0.000 1.089 375 S CA -0.513 57.665 58.200 -0.037 0.000 0.945 375 S CB 1.636 64.742 63.200 -0.156 0.000 1.077 375 S HN 0.690 nan 8.310 nan 0.000 0.485 376 T N 1.449 116.103 114.554 0.168 0.000 2.729 376 T HA 0.195 4.546 4.350 0.001 0.000 0.298 376 T C 1.150 176.054 174.700 0.341 0.000 1.013 376 T CA 0.055 62.302 62.100 0.245 0.000 0.957 376 T CB -0.256 68.737 68.868 0.209 0.000 1.130 376 T HN 0.717 nan 8.240 nan 0.000 0.526 377 N N -0.151 118.748 118.700 0.332 0.000 2.626 377 N HA -0.024 4.717 4.740 0.001 0.000 0.193 377 N C 1.382 177.042 175.510 0.250 0.000 1.213 377 N CA 0.397 53.642 53.050 0.325 0.000 0.914 377 N CB -1.083 37.497 38.487 0.155 0.000 0.994 377 N HN 0.715 nan 8.380 nan 0.000 0.447 378 I N 0.307 120.997 120.570 0.201 0.000 2.185 378 I HA -0.299 3.872 4.170 0.001 0.000 0.246 378 I C 2.022 178.245 176.117 0.178 0.000 1.088 378 I CA 1.698 63.086 61.300 0.147 0.000 1.347 378 I CB -0.287 37.770 38.000 0.095 0.000 1.041 378 I HN 0.318 nan 8.210 nan 0.000 0.415 379 A N -0.660 122.305 122.820 0.242 0.000 2.278 379 A HA -0.055 4.265 4.320 0.001 0.000 0.212 379 A C 2.078 179.929 177.584 0.444 0.000 1.213 379 A CA 0.422 52.604 52.037 0.242 0.000 0.840 379 A CB -0.481 18.526 19.000 0.012 0.000 0.866 379 A HN 0.483 nan 8.150 nan 0.000 0.489 380 E N -0.122 120.329 120.200 0.419 0.000 2.033 380 E HA -0.129 4.221 4.350 0.001 0.000 0.189 380 E C 1.715 178.423 176.600 0.180 0.000 0.979 380 E CA 1.756 58.298 56.400 0.237 0.000 0.802 380 E CB 0.155 29.890 29.700 0.059 0.000 0.763 380 E HN 0.594 nan 8.360 nan 0.000 0.449 381 T N -3.559 111.106 114.554 0.185 0.000 3.041 381 T HA 0.222 4.573 4.350 0.001 0.000 0.276 381 T C 1.465 176.266 174.700 0.170 0.000 0.948 381 T CA 0.061 62.269 62.100 0.180 0.000 0.885 381 T CB 0.389 69.412 68.868 0.259 0.000 1.175 381 T HN -0.055 nan 8.240 nan 0.000 0.529 382 S N 1.620 117.409 115.700 0.149 0.000 2.470 382 S HA 0.445 4.916 4.470 0.001 0.000 0.225 382 S C 0.311 174.963 174.600 0.086 0.000 1.006 382 S CA 0.210 58.476 58.200 0.110 0.000 0.934 382 S CB -0.385 62.867 63.200 0.087 0.000 0.778 382 S HN 0.745 nan 8.310 nan 0.000 0.517 383 L N -2.924 118.360 121.223 0.100 0.000 2.838 383 L HA 0.742 5.083 4.340 0.001 0.000 0.266 383 L C -1.083 175.857 176.870 0.118 0.000 1.040 383 L CA -0.676 54.223 54.840 0.098 0.000 0.906 383 L CB 1.310 43.441 42.059 0.120 0.000 1.501 383 L HN -0.338 nan 8.230 nan 0.000 0.407 384 T N 1.277 115.912 114.554 0.135 0.000 2.881 384 T HA 0.747 5.098 4.350 0.001 0.000 0.290 384 T C -0.685 174.141 174.700 0.210 0.000 1.000 384 T CA -0.013 62.166 62.100 0.132 0.000 0.978 384 T CB 1.211 70.132 68.868 0.088 0.000 0.997 384 T HN 0.552 nan 8.240 nan 0.000 0.443 385 I N 3.347 124.009 120.570 0.154 0.000 2.330 385 I HA 0.226 4.397 4.170 0.001 0.000 0.286 385 I C 0.091 176.278 176.117 0.116 0.000 1.025 385 I CA -0.725 60.678 61.300 0.173 0.000 1.197 385 I CB 0.899 38.892 38.000 -0.011 0.000 1.358 385 I HN 0.493 nan 8.210 nan 0.000 0.467 386 D N 5.437 125.915 120.400 0.129 0.000 2.455 386 D HA 0.195 4.835 4.640 0.001 0.000 0.241 386 D C 1.111 177.440 176.300 0.049 0.000 1.138 386 D CA 1.249 55.289 54.000 0.068 0.000 0.877 386 D CB 1.435 42.264 40.800 0.048 0.000 1.187 386 D HN 0.927 nan 8.370 nan 0.000 0.451 387 G N 1.818 110.633 108.800 0.025 0.000 2.231 387 G HA2 -0.213 3.747 3.960 0.001 0.000 0.206 387 G HA3 -0.213 3.747 3.960 0.001 0.000 0.206 387 G C 0.390 175.292 174.900 0.004 0.000 0.996 387 G CA -0.572 44.536 45.100 0.012 0.000 0.645 387 G HN 0.461 nan 8.290 nan 0.000 0.498 388 I N 1.801 122.376 120.570 0.007 0.000 2.618 388 I HA 0.254 4.425 4.170 0.001 0.000 0.284 388 I C 1.561 177.643 176.117 -0.059 0.000 1.146 388 I CA 0.483 61.783 61.300 0.000 0.000 1.425 388 I CB 1.225 39.234 38.000 0.015 0.000 1.383 388 I HN -0.018 nan 8.210 nan 0.000 0.562 389 V N 6.761 126.593 119.914 -0.137 0.000 3.497 389 V HA 0.124 4.244 4.120 0.001 0.000 0.272 389 V C -0.576 175.173 176.094 -0.575 0.000 1.474 389 V CA 0.106 62.166 62.300 -0.400 0.000 1.025 389 V CB -0.039 31.419 31.823 -0.609 0.000 0.820 389 V HN 0.548 nan 8.190 nan 0.000 0.437 390 Y N -0.524 119.822 120.300 0.077 0.000 2.361 390 Y HA 0.714 5.265 4.550 0.001 0.000 0.337 390 Y C -0.343 175.634 175.900 0.128 0.000 0.965 390 Y CA -0.983 57.196 58.100 0.132 0.000 1.091 390 Y CB 1.931 40.490 38.460 0.165 0.000 1.182 390 Y HN -0.211 nan 8.280 nan 0.000 0.450 391 V N 4.192 124.276 119.914 0.282 0.000 2.513 391 V HA 0.527 4.647 4.120 0.001 0.000 0.299 391 V C -0.603 175.680 176.094 0.314 0.000 1.035 391 V CA -0.966 61.490 62.300 0.260 0.000 0.889 391 V CB 1.957 33.938 31.823 0.263 0.000 0.988 391 V HN 0.529 nan 8.190 nan 0.000 0.440 392 V N 3.277 123.349 119.914 0.263 0.000 2.347 392 V HA 0.407 4.528 4.120 0.001 0.000 0.280 392 V C -0.563 175.699 176.094 0.281 0.000 1.021 392 V CA -0.435 62.010 62.300 0.242 0.000 0.847 392 V CB 1.611 33.517 31.823 0.138 0.000 0.990 392 V HN 0.925 nan 8.190 nan 0.000 0.444 393 D N 6.644 127.180 120.400 0.227 0.000 2.460 393 D HA 0.447 5.087 4.640 0.001 0.000 0.232 393 D C -1.992 174.447 176.300 0.232 0.000 1.079 393 D CA -2.127 52.017 54.000 0.239 0.000 0.864 393 D CB 2.529 43.421 40.800 0.153 0.000 1.048 393 D HN 0.173 nan 8.370 nan 0.000 0.523 394 P HA 0.175 nan 4.420 nan 0.000 0.229 394 P C 0.601 178.072 177.300 0.285 0.000 1.160 394 P CA 0.711 63.955 63.100 0.240 0.000 0.777 394 P CB 0.428 32.163 31.700 0.058 0.000 0.814 395 G N -2.762 106.149 108.800 0.184 0.000 2.130 395 G HA2 -0.212 3.749 3.960 0.001 0.000 0.216 395 G HA3 -0.212 3.749 3.960 0.001 0.000 0.216 395 G C -0.180 174.428 174.900 -0.487 0.000 0.999 395 G CA -0.595 44.428 45.100 -0.128 0.000 0.686 395 G HN 0.229 nan 8.290 nan 0.000 0.515 396 F N 0.647 120.519 119.950 -0.130 0.000 2.577 396 F HA 0.800 5.327 4.527 0.001 0.000 0.318 396 F C 0.540 176.320 175.800 -0.033 0.000 1.065 396 F CA -0.107 57.825 58.000 -0.114 0.000 0.929 396 F CB 2.533 41.393 39.000 -0.233 0.000 1.237 396 F HN 0.475 nan 8.300 nan 0.000 0.468 397 S N 0.574 116.397 115.700 0.205 0.000 2.596 397 S HA 0.487 4.957 4.470 0.001 0.000 0.270 397 S C -1.483 173.216 174.600 0.164 0.000 1.155 397 S CA -1.223 57.075 58.200 0.163 0.000 0.827 397 S CB 1.929 65.189 63.200 0.101 0.000 1.130 397 S HN 0.634 nan 8.310 nan 0.000 0.467 398 K N 0.893 121.377 120.400 0.140 0.000 2.276 398 K HA 0.353 4.674 4.320 0.001 0.000 0.285 398 K C -0.777 175.885 176.600 0.103 0.000 1.062 398 K CA -0.049 56.311 56.287 0.121 0.000 0.918 398 K CB 0.441 33.003 32.500 0.104 0.000 1.055 398 K HN 0.668 nan 8.250 nan 0.000 0.477 399 Q N 2.804 122.664 119.800 0.099 0.000 2.394 399 Q HA 0.250 4.591 4.340 0.001 0.000 0.273 399 Q C -1.247 174.801 176.000 0.079 0.000 1.089 399 Q CA -0.946 54.908 55.803 0.084 0.000 0.812 399 Q CB 2.564 31.351 28.738 0.081 0.000 1.353 399 Q HN 0.383 nan 8.270 nan 0.000 0.438 400 K N 1.631 122.073 120.400 0.071 0.000 2.322 400 K HA 0.373 4.693 4.320 0.001 0.000 0.283 400 K C -0.703 175.940 176.600 0.072 0.000 1.042 400 K CA -0.238 56.092 56.287 0.072 0.000 0.958 400 K CB 0.632 33.169 32.500 0.061 0.000 0.984 400 K HN 0.493 nan 8.250 nan 0.000 0.473 401 V N 1.490 121.453 119.914 0.083 0.000 2.876 401 V HA 0.541 4.661 4.120 0.001 0.000 0.312 401 V C -1.647 174.522 176.094 0.125 0.000 1.085 401 V CA -1.041 61.305 62.300 0.076 0.000 0.945 401 V CB 1.453 33.305 31.823 0.049 0.000 1.017 401 V HN 0.757 nan 8.190 nan 0.000 0.428 402 Y N 3.121 123.394 120.300 -0.044 0.000 2.391 402 Y HA 0.633 5.183 4.550 0.001 0.000 0.341 402 Y C -0.421 175.441 175.900 -0.062 0.000 0.965 402 Y CA -0.899 57.169 58.100 -0.052 0.000 1.067 402 Y CB 1.927 40.349 38.460 -0.063 0.000 1.199 402 Y HN 0.926 nan 8.280 nan 0.000 0.450 403 N N 7.566 125.929 118.700 -0.563 0.000 2.444 403 N HA 0.341 5.081 4.740 0.001 0.000 0.262 403 N C -2.410 172.716 175.510 -0.640 0.000 0.974 403 N CA -2.430 50.355 53.050 -0.441 0.000 0.933 403 N CB 2.256 40.569 38.487 -0.290 0.000 1.137 403 N HN 0.368 nan 8.380 nan 0.000 0.498 404 P HA 0.003 nan 4.420 nan 0.000 0.216 404 P C 1.320 178.513 177.300 -0.178 0.000 1.153 404 P CA 0.873 63.845 63.100 -0.213 0.000 0.844 404 P CB 0.535 32.207 31.700 -0.047 0.000 0.787 405 R N 0.104 120.515 120.500 -0.149 0.000 2.127 405 R HA -0.116 4.224 4.340 0.001 0.000 0.228 405 R C 2.305 178.510 176.300 -0.157 0.000 1.125 405 R CA 1.566 57.596 56.100 -0.117 0.000 0.904 405 R CB -1.692 28.554 30.300 -0.091 0.000 0.831 405 R HN 0.243 nan 8.270 nan 0.000 0.431 406 I N 0.745 121.191 120.570 -0.207 0.000 2.423 406 I HA -0.210 3.961 4.170 0.001 0.000 0.254 406 I C 0.480 176.402 176.117 -0.324 0.000 1.151 406 I CA 0.813 61.951 61.300 -0.270 0.000 1.421 406 I CB -0.385 37.417 38.000 -0.331 0.000 1.079 406 I HN 0.298 nan 8.210 nan 0.000 0.431 407 R N 0.579 120.850 120.500 -0.381 0.000 3.205 407 R HA -0.135 4.206 4.340 0.001 0.000 0.249 407 R C -1.245 174.824 176.300 -0.385 0.000 0.937 407 R CA 0.011 55.870 56.100 -0.402 0.000 0.641 407 R CB -1.535 28.697 30.300 -0.113 0.000 1.114 407 R HN 0.189 nan 8.270 nan 0.000 0.451 408 V N 0.481 120.057 119.914 -0.562 0.000 2.760 408 V HA 0.245 4.365 4.120 0.001 0.000 0.309 408 V C 0.135 176.129 176.094 -0.167 0.000 1.077 408 V CA -0.701 61.413 62.300 -0.310 0.000 0.910 408 V CB 2.286 33.833 31.823 -0.461 0.000 1.008 408 V HN 0.209 nan 8.190 nan 0.000 0.424 409 E N 1.787 122.043 120.200 0.092 0.000 2.227 409 E HA 0.644 4.995 4.350 0.001 0.000 0.282 409 E C -0.929 175.741 176.600 0.117 0.000 1.015 409 E CA -0.122 56.390 56.400 0.187 0.000 0.823 409 E CB 1.538 31.361 29.700 0.205 0.000 1.081 409 E HN 0.682 nan 8.360 nan 0.000 0.396 410 S N 2.534 118.298 115.700 0.107 0.000 2.541 410 S HA 0.381 4.851 4.470 0.001 0.000 0.280 410 S C -1.344 173.314 174.600 0.096 0.000 1.112 410 S CA -0.723 57.542 58.200 0.108 0.000 0.925 410 S CB 1.166 64.432 63.200 0.110 0.000 1.067 410 S HN 0.326 nan 8.310 nan 0.000 0.479 411 L N 3.483 124.761 121.223 0.091 0.000 2.257 411 L HA 0.606 4.947 4.340 0.001 0.000 0.290 411 L C -1.177 175.744 176.870 0.086 0.000 1.044 411 L CA 0.106 54.995 54.840 0.083 0.000 0.810 411 L CB 0.171 42.275 42.059 0.074 0.000 1.193 411 L HN 0.560 nan 8.230 nan 0.000 0.425 412 L N 4.524 125.802 121.223 0.092 0.000 2.388 412 L HA 0.524 4.865 4.340 0.001 0.000 0.264 412 L C -0.641 176.302 176.870 0.121 0.000 0.998 412 L CA -1.183 53.718 54.840 0.102 0.000 0.817 412 L CB 2.379 44.500 42.059 0.103 0.000 1.338 412 L HN 0.060 nan 8.230 nan 0.000 0.414 413 V N 1.960 121.954 119.914 0.134 0.000 2.439 413 V HA 0.264 4.384 4.120 0.001 0.000 0.271 413 V C 0.127 176.380 176.094 0.266 0.000 1.040 413 V CA 0.317 62.728 62.300 0.185 0.000 1.002 413 V CB 0.810 32.722 31.823 0.148 0.000 1.000 413 V HN 0.842 nan 8.190 nan 0.000 0.477 414 S N 6.281 122.166 115.700 0.309 0.000 2.595 414 S HA 0.614 5.084 4.470 0.001 0.000 0.281 414 S C -2.867 171.841 174.600 0.180 0.000 1.117 414 S CA -1.348 57.023 58.200 0.284 0.000 0.873 414 S CB 2.211 65.496 63.200 0.142 0.000 1.108 414 S HN 0.456 nan 8.310 nan 0.000 0.477 415 P HA 0.205 nan 4.420 nan 0.000 0.267 415 P C -0.310 176.852 177.300 -0.229 0.000 1.200 415 P CA -0.287 62.542 63.100 -0.452 0.000 0.772 415 P CB 0.121 31.582 31.700 -0.399 0.000 0.855 416 I N -1.116 119.295 120.570 -0.265 0.000 3.078 416 I HA 0.511 4.681 4.170 0.001 0.000 0.318 416 I C 0.408 176.456 176.117 -0.115 0.000 1.016 416 I CA -0.842 60.378 61.300 -0.133 0.000 1.130 416 I CB 1.100 39.028 38.000 -0.120 0.000 1.397 416 I HN 0.272 nan 8.210 nan 0.000 0.570 417 S N 1.359 117.025 115.700 -0.057 0.000 2.632 417 S HA 0.302 4.772 4.470 0.001 0.000 0.267 417 S C 0.662 175.251 174.600 -0.019 0.000 1.276 417 S CA -0.632 57.541 58.200 -0.044 0.000 0.998 417 S CB 1.508 64.696 63.200 -0.019 0.000 0.953 417 S HN 0.744 nan 8.310 nan 0.000 0.547 418 K N 0.631 121.011 120.400 -0.035 0.000 2.097 418 K HA -0.077 4.244 4.320 0.001 0.000 0.206 418 K C 2.408 179.071 176.600 0.105 0.000 1.049 418 K CA 1.283 57.584 56.287 0.023 0.000 0.933 418 K CB -0.690 31.700 32.500 -0.183 0.000 0.717 418 K HN 0.745 nan 8.250 nan 0.000 0.442 419 A N 0.880 123.722 122.820 0.036 0.000 1.902 419 A HA -0.166 4.154 4.320 0.001 0.000 0.217 419 A C 2.218 179.830 177.584 0.046 0.000 1.181 419 A CA 1.867 53.930 52.037 0.042 0.000 0.623 419 A CB -0.532 18.479 19.000 0.018 0.000 0.818 419 A HN 0.165 nan 8.150 nan 0.000 0.443 420 S N -0.379 115.338 115.700 0.028 0.000 2.368 420 S HA -0.037 4.434 4.470 0.001 0.000 0.225 420 S C 2.299 176.885 174.600 -0.023 0.000 1.030 420 S CA 1.157 59.353 58.200 -0.008 0.000 0.999 420 S CB -0.429 62.752 63.200 -0.032 0.000 0.844 420 S HN 0.799 nan 8.310 nan 0.000 0.459 421 A N 1.063 123.917 122.820 0.056 0.000 1.933 421 A HA -0.181 4.139 4.320 0.001 0.000 0.218 421 A C 2.068 179.689 177.584 0.062 0.000 1.175 421 A CA 1.476 53.572 52.037 0.098 0.000 0.628 421 A CB -0.567 18.630 19.000 0.327 0.000 0.814 421 A HN 0.546 nan 8.150 nan 0.000 0.444 422 Q N -0.980 118.888 119.800 0.113 0.000 2.046 422 Q HA -0.173 4.168 4.340 0.001 0.000 0.200 422 Q C 2.366 178.381 176.000 0.024 0.000 0.975 422 Q CA 1.448 57.297 55.803 0.076 0.000 0.836 422 Q CB -0.156 28.650 28.738 0.113 0.000 0.896 422 Q HN 0.591 nan 8.270 nan 0.000 0.428 423 Q N 0.463 120.269 119.800 0.010 0.000 2.084 423 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 423 Q C 2.030 178.027 176.000 -0.004 0.000 0.978 423 Q CA 1.347 57.152 55.803 0.003 0.000 0.844 423 Q CB -0.174 28.564 28.738 0.001 0.000 0.898 423 Q HN 0.347 nan 8.270 nan 0.000 0.426 424 R N 0.240 120.685 120.500 -0.092 0.000 2.083 424 R HA -0.103 4.238 4.340 0.001 0.000 0.237 424 R C 2.270 178.608 176.300 0.063 0.000 1.137 424 R CA 1.348 57.368 56.100 -0.132 0.000 0.951 424 R CB -0.419 29.606 30.300 -0.458 0.000 0.851 424 R HN 0.226 nan 8.270 nan 0.000 0.434 425 A N 0.629 123.455 122.820 0.011 0.000 1.933 425 A HA -0.069 4.252 4.320 0.001 0.000 0.218 425 A C 2.375 179.978 177.584 0.032 0.000 1.175 425 A CA 1.633 53.675 52.037 0.009 0.000 0.628 425 A CB -1.046 17.916 19.000 -0.064 0.000 0.814 425 A HN 0.482 nan 8.150 nan 0.000 0.444 426 G N -0.413 108.408 108.800 0.035 0.000 2.462 426 G HA2 -0.234 3.727 3.960 0.001 0.000 0.220 426 G HA3 -0.234 3.727 3.960 0.001 0.000 0.220 426 G C 1.530 176.472 174.900 0.071 0.000 1.121 426 G CA 0.705 45.831 45.100 0.045 0.000 0.758 426 G HN 0.419 nan 8.290 nan 0.000 0.559 427 R N 0.814 121.380 120.500 0.110 0.000 2.193 427 R HA 0.052 4.392 4.340 0.001 0.000 0.229 427 R C 2.539 178.891 176.300 0.087 0.000 1.110 427 R CA 0.937 57.111 56.100 0.124 0.000 0.988 427 R CB -0.906 29.514 30.300 0.201 0.000 0.871 427 R HN 0.369 nan 8.270 nan 0.000 0.458 428 A N 0.246 123.107 122.820 0.069 0.000 2.206 428 A HA 0.125 4.445 4.320 0.001 0.000 0.211 428 A C 1.759 179.341 177.584 -0.003 0.000 1.158 428 A CA 1.054 53.101 52.037 0.016 0.000 0.761 428 A CB -0.104 18.898 19.000 0.003 0.000 0.801 428 A HN 0.342 nan 8.150 nan 0.000 0.473 429 G N -0.986 107.842 108.800 0.046 0.000 3.453 429 G HA2 0.208 4.168 3.960 0.001 0.000 0.263 429 G HA3 0.208 4.168 3.960 0.001 0.000 0.263 429 G C 1.181 176.190 174.900 0.181 0.000 1.060 429 G CA 0.375 45.535 45.100 0.100 0.000 0.793 429 G HN 0.435 nan 8.290 nan 0.000 0.532 430 R N 0.146 120.718 120.500 0.121 0.000 2.090 430 R HA 0.036 4.377 4.340 0.001 0.000 0.228 430 R C 1.913 178.323 176.300 0.183 0.000 1.110 430 R CA 2.383 58.565 56.100 0.136 0.000 0.973 430 R CB -0.567 29.784 30.300 0.086 0.000 0.869 430 R HN 0.141 nan 8.270 nan 0.000 0.440 431 T N -0.026 114.578 114.554 0.084 0.000 3.045 431 T HA 0.263 4.613 4.350 0.001 0.000 0.239 431 T C 0.012 174.551 174.700 -0.268 0.000 1.008 431 T CA 0.702 62.798 62.100 -0.006 0.000 1.143 431 T CB 0.164 69.004 68.868 -0.045 0.000 0.894 431 T HN 0.366 nan 8.240 nan 0.000 0.451 432 R N 0.143 120.391 120.500 -0.420 0.000 2.826 432 R HA 0.460 4.800 4.340 0.001 0.000 0.269 432 R C -3.406 172.634 176.300 -0.434 0.000 1.031 432 R CA -2.164 53.403 56.100 -0.889 0.000 0.900 432 R CB -0.355 29.607 30.300 -0.563 0.000 1.318 432 R HN -0.186 nan 8.270 nan 0.000 0.447 433 P HA 0.140 nan 4.420 nan 0.000 0.265 433 P C -0.571 176.656 177.300 -0.121 0.000 1.193 433 P CA 0.272 63.321 63.100 -0.085 0.000 0.765 433 P CB 0.756 32.429 31.700 -0.044 0.000 0.823 434 G N 1.900 110.648 108.800 -0.086 0.000 3.105 434 G HA2 0.696 4.656 3.960 0.001 0.000 0.277 434 G HA3 0.696 4.656 3.960 0.001 0.000 0.277 434 G C -1.434 173.414 174.900 -0.086 0.000 1.375 434 G CA -0.807 44.197 45.100 -0.160 0.000 0.962 434 G HN 0.320 nan 8.290 nan 0.000 0.541 435 K N -1.422 118.930 120.400 -0.080 0.000 2.426 435 K HA 0.577 4.897 4.320 0.001 0.000 0.251 435 K C -1.731 174.829 176.600 -0.066 0.000 0.941 435 K CA -0.583 55.683 56.287 -0.036 0.000 0.808 435 K CB 2.522 35.035 32.500 0.022 0.000 1.265 435 K HN 0.486 nan 8.250 nan 0.000 0.432 436 C N 3.036 122.225 119.300 -0.185 0.000 2.364 436 C HA 0.589 5.050 4.460 0.001 0.000 0.324 436 C C -1.339 173.471 174.990 -0.300 0.000 1.234 436 C CA -0.776 58.163 59.018 -0.132 0.000 1.417 436 C CB -0.635 27.043 27.740 -0.103 0.000 2.101 436 C HN 0.768 nan 8.230 nan 0.000 0.466 437 F N 5.447 125.387 119.950 -0.016 0.000 2.313 437 F HA 0.498 5.025 4.527 0.001 0.000 0.369 437 F C 1.008 176.704 175.800 -0.172 0.000 1.109 437 F CA -0.283 57.667 58.000 -0.082 0.000 1.132 437 F CB 0.549 39.498 39.000 -0.086 0.000 1.291 437 F HN 0.397 nan 8.300 nan 0.000 0.496 438 R N 3.562 123.898 120.500 -0.273 0.000 2.340 438 R HA 0.369 4.710 4.340 0.001 0.000 0.300 438 R C -0.065 175.978 176.300 -0.428 0.000 1.069 438 R CA -0.428 55.314 56.100 -0.596 0.000 0.984 438 R CB 0.823 30.421 30.300 -1.170 0.000 1.003 438 R HN 0.686 nan 8.270 nan 0.000 0.459 439 L N 5.585 126.667 121.223 -0.235 0.000 2.998 439 L HA 0.250 4.590 4.340 0.001 0.000 0.234 439 L C -0.904 176.099 176.870 0.222 0.000 1.350 439 L CA -0.373 54.499 54.840 0.053 0.000 1.202 439 L CB -0.961 41.204 42.059 0.176 0.000 1.583 439 L HN 0.648 nan 8.230 nan 0.000 0.456 440 Y N -3.183 117.243 120.300 0.210 0.000 2.677 440 Y HA 0.535 5.085 4.550 0.001 0.000 0.334 440 Y C 0.152 176.249 175.900 0.327 0.000 1.196 440 Y CA -1.688 56.563 58.100 0.253 0.000 1.059 440 Y CB 0.374 38.974 38.460 0.234 0.000 1.315 440 Y HN 0.041 nan 8.280 nan 0.000 0.455 441 T N -2.492 112.341 114.554 0.466 0.000 2.868 441 T HA 0.154 4.505 4.350 0.001 0.000 0.292 441 T C 0.798 175.628 174.700 0.216 0.000 1.028 441 T CA 0.194 62.472 62.100 0.297 0.000 1.059 441 T CB 1.596 70.587 68.868 0.204 0.000 0.991 441 T HN 0.994 nan 8.240 nan 0.000 0.531 442 E N 0.415 120.466 120.200 -0.249 0.000 2.118 442 E HA -0.243 4.107 4.350 0.001 0.000 0.195 442 E C 1.971 178.504 176.600 -0.113 0.000 0.992 442 E CA 1.558 57.544 56.400 -0.690 0.000 0.804 442 E CB -0.093 29.063 29.700 -0.907 0.000 0.741 442 E HN 0.913 nan 8.360 nan 0.000 0.458 443 E N -0.059 120.119 120.200 -0.037 0.000 2.077 443 E HA -0.220 4.131 4.350 0.001 0.000 0.193 443 E C 1.870 178.502 176.600 0.054 0.000 0.989 443 E CA 1.253 57.660 56.400 0.011 0.000 0.800 443 E CB -0.202 29.507 29.700 0.015 0.000 0.746 443 E HN 0.345 nan 8.360 nan 0.000 0.452 444 A N 0.475 123.372 122.820 0.128 0.000 1.902 444 A HA -0.152 4.169 4.320 0.001 0.000 0.217 444 A C 2.045 179.700 177.584 0.117 0.000 1.181 444 A CA 1.301 53.409 52.037 0.117 0.000 0.623 444 A CB -0.942 18.167 19.000 0.181 0.000 0.818 444 A HN 0.539 nan 8.150 nan 0.000 0.443 445 F N 0.764 120.798 119.950 0.139 0.000 2.095 445 F HA -0.213 4.314 4.527 0.001 0.000 0.298 445 F C 2.353 178.182 175.800 0.049 0.000 1.104 445 F CA 2.250 60.344 58.000 0.156 0.000 1.232 445 F CB -0.167 39.056 39.000 0.372 0.000 0.987 445 F HN 0.225 nan 8.300 nan 0.000 0.475 446 Q N 0.119 119.847 119.800 -0.119 0.000 2.245 446 Q HA -0.055 4.285 4.340 0.001 0.000 0.201 446 Q C 1.877 177.762 176.000 -0.192 0.000 0.955 446 Q CA 1.180 56.841 55.803 -0.237 0.000 0.870 446 Q CB -0.018 28.677 28.738 -0.072 0.000 0.945 446 Q HN 0.516 nan 8.270 nan 0.000 0.461 447 K N -0.214 120.113 120.400 -0.122 0.000 2.412 447 K HA 0.108 4.428 4.320 0.001 0.000 0.201 447 K C 1.727 178.273 176.600 -0.090 0.000 1.275 447 K CA 0.137 56.368 56.287 -0.093 0.000 0.910 447 K CB 0.623 33.091 32.500 -0.054 0.000 1.346 447 K HN 0.081 nan 8.250 nan 0.000 0.490 448 E N 0.856 121.008 120.200 -0.080 0.000 2.170 448 E HA -0.018 4.332 4.350 0.001 0.000 0.191 448 E C -0.117 176.420 176.600 -0.106 0.000 0.981 448 E CA 0.302 56.656 56.400 -0.078 0.000 0.830 448 E CB 0.176 29.840 29.700 -0.060 0.000 0.775 448 E HN -0.033 nan 8.360 nan 0.000 0.470 449 L N 2.502 123.638 121.223 -0.145 0.000 2.360 449 L HA 0.140 4.481 4.340 0.001 0.000 0.276 449 L C 0.500 177.288 176.870 -0.136 0.000 1.121 449 L CA 0.060 54.804 54.840 -0.159 0.000 0.845 449 L CB 0.234 42.180 42.059 -0.187 0.000 1.143 449 L HN 0.112 nan 8.230 nan 0.000 0.452 450 I N -0.183 120.332 120.570 -0.092 0.000 2.993 450 I HA 0.061 4.231 4.170 0.001 0.000 0.286 450 I C 1.013 177.080 176.117 -0.083 0.000 1.215 450 I CA -0.271 60.990 61.300 -0.065 0.000 1.393 450 I CB 0.684 38.677 38.000 -0.012 0.000 1.371 450 I HN 0.592 nan 8.210 nan 0.000 0.602 451 E N 2.649 122.800 120.200 -0.082 0.000 2.047 451 E HA -0.130 4.220 4.350 0.001 0.000 0.191 451 E C 0.122 176.682 176.600 -0.066 0.000 0.987 451 E CA 1.257 57.604 56.400 -0.089 0.000 0.799 451 E CB -0.033 29.614 29.700 -0.089 0.000 0.752 451 E HN 0.852 nan 8.360 nan 0.000 0.449 452 Q N -1.107 118.653 119.800 -0.067 0.000 2.426 452 Q HA 0.452 4.792 4.340 0.001 0.000 0.278 452 Q C -1.026 174.945 176.000 -0.048 0.000 1.007 452 Q CA -0.539 55.232 55.803 -0.052 0.000 0.850 452 Q CB 1.372 30.070 28.738 -0.066 0.000 1.427 452 Q HN -0.273 nan 8.270 nan 0.000 0.391 453 S N 1.146 116.848 115.700 0.004 0.000 2.585 453 S HA 0.240 4.711 4.470 0.001 0.000 0.273 453 S C -0.624 174.002 174.600 0.043 0.000 1.339 453 S CA -0.341 57.903 58.200 0.074 0.000 1.028 453 S CB 0.020 63.268 63.200 0.081 0.000 0.906 453 S HN 0.380 nan 8.310 nan 0.000 0.528 454 Y N 1.790 122.086 120.300 -0.008 0.000 2.397 454 Y HA 0.251 4.802 4.550 0.001 0.000 0.335 454 Y C -1.821 174.070 175.900 -0.016 0.000 1.213 454 Y CA -1.708 56.383 58.100 -0.015 0.000 1.391 454 Y CB -0.348 38.103 38.460 -0.014 0.000 1.293 454 Y HN 0.436 nan 8.280 nan 0.000 0.557 455 P HA -0.052 nan 4.420 nan 0.000 0.266 455 P C 0.642 177.970 177.300 0.046 0.000 1.195 455 P CA 0.173 63.304 63.100 0.051 0.000 0.768 455 P CB 0.603 32.309 31.700 0.010 0.000 0.838 456 E N 2.509 122.721 120.200 0.020 0.000 2.130 456 E HA -0.237 4.113 4.350 0.001 0.000 0.196 456 E C 1.563 178.128 176.600 -0.058 0.000 0.998 456 E CA 0.915 57.313 56.400 -0.004 0.000 0.806 456 E CB -0.235 29.463 29.700 -0.004 0.000 0.738 456 E HN 0.450 nan 8.360 nan 0.000 0.459 457 I N 0.471 120.985 120.570 -0.093 0.000 2.423 457 I HA -0.246 3.924 4.170 0.001 0.000 0.254 457 I C 1.649 177.650 176.117 -0.193 0.000 1.151 457 I CA 0.992 62.176 61.300 -0.194 0.000 1.421 457 I CB 0.140 37.957 38.000 -0.305 0.000 1.079 457 I HN 0.163 nan 8.210 nan 0.000 0.431 458 L N 0.325 121.485 121.223 -0.105 0.000 2.591 458 L HA 0.098 4.439 4.340 0.001 0.000 0.228 458 L C 1.024 177.838 176.870 -0.093 0.000 1.133 458 L CA 0.240 55.030 54.840 -0.084 0.000 0.880 458 L CB -0.322 41.751 42.059 0.023 0.000 1.033 458 L HN 0.140 nan 8.230 nan 0.000 0.450 459 R N -0.729 119.717 120.500 -0.090 0.000 2.776 459 R HA 0.329 4.670 4.340 0.001 0.000 0.391 459 R C -0.551 175.693 176.300 -0.094 0.000 1.116 459 R CA -0.081 56.001 56.100 -0.031 0.000 1.056 459 R CB 0.936 31.245 30.300 0.015 0.000 1.369 459 R HN -0.026 nan 8.270 nan 0.000 0.590 460 S N 0.754 116.247 115.700 -0.344 0.000 2.540 460 S HA 0.211 4.682 4.470 0.001 0.000 0.275 460 S C -0.788 173.399 174.600 -0.688 0.000 1.123 460 S CA -1.029 56.956 58.200 -0.359 0.000 0.907 460 S CB 1.997 65.063 63.200 -0.223 0.000 1.081 460 S HN 0.539 nan 8.310 nan 0.000 0.476 461 N N 1.095 119.531 118.700 -0.440 0.000 2.503 461 N HA 0.364 5.105 4.740 0.001 0.000 0.267 461 N C -0.222 175.163 175.510 -0.209 0.000 1.214 461 N CA -0.529 52.325 53.050 -0.327 0.000 0.959 461 N CB 0.325 38.797 38.487 -0.026 0.000 1.142 461 N HN 0.564 nan 8.380 nan 0.000 0.455 462 L N 1.325 122.449 121.223 -0.166 0.000 3.168 462 L HA 0.199 4.539 4.340 0.001 0.000 0.277 462 L C 1.732 178.553 176.870 -0.082 0.000 1.245 462 L CA -0.273 54.488 54.840 -0.132 0.000 1.035 462 L CB -0.082 41.891 42.059 -0.144 0.000 1.399 462 L HN 0.813 nan 8.230 nan 0.000 0.580 463 S N -0.116 115.543 115.700 -0.069 0.000 2.356 463 S HA -0.183 4.288 4.470 0.001 0.000 0.223 463 S C 2.106 176.676 174.600 -0.050 0.000 1.032 463 S CA 2.212 60.379 58.200 -0.055 0.000 1.005 463 S CB 0.100 63.263 63.200 -0.060 0.000 0.867 463 S HN 0.446 nan 8.310 nan 0.000 0.449 464 S N 0.572 116.244 115.700 -0.047 0.000 2.368 464 S HA -0.075 4.396 4.470 0.001 0.000 0.225 464 S C 2.024 176.602 174.600 -0.038 0.000 1.030 464 S CA 1.736 59.915 58.200 -0.035 0.000 0.999 464 S CB -0.909 62.276 63.200 -0.025 0.000 0.844 464 S HN 0.726 nan 8.310 nan 0.000 0.459 465 T N 1.962 116.489 114.554 -0.045 0.000 2.720 465 T HA -0.072 4.278 4.350 0.001 0.000 0.268 465 T C 1.902 176.571 174.700 -0.052 0.000 1.037 465 T CA 1.290 63.364 62.100 -0.042 0.000 1.144 465 T CB -0.401 68.441 68.868 -0.044 0.000 0.864 465 T HN 0.186 nan 8.240 nan 0.000 0.444 466 V N 1.435 121.319 119.914 -0.049 0.000 2.343 466 V HA -0.098 4.022 4.120 0.001 0.000 0.247 466 V C 2.376 178.438 176.094 -0.054 0.000 1.051 466 V CA 1.198 63.467 62.300 -0.051 0.000 1.036 466 V CB -0.640 31.160 31.823 -0.038 0.000 0.654 466 V HN 0.326 nan 8.190 nan 0.000 0.451 467 L N 0.332 121.529 121.223 -0.044 0.000 2.046 467 L HA -0.158 4.182 4.340 0.001 0.000 0.208 467 L C 2.311 179.156 176.870 -0.041 0.000 1.077 467 L CA 1.926 56.745 54.840 -0.036 0.000 0.747 467 L CB -0.688 41.356 42.059 -0.026 0.000 0.896 467 L HN 0.377 nan 8.230 nan 0.000 0.432 468 E N -0.586 119.585 120.200 -0.049 0.000 2.031 468 E HA -0.218 4.133 4.350 0.001 0.000 0.193 468 E C 2.245 178.785 176.600 -0.099 0.000 0.994 468 E CA 1.645 58.011 56.400 -0.057 0.000 0.800 468 E CB -0.318 29.352 29.700 -0.051 0.000 0.752 468 E HN 0.477 nan 8.360 nan 0.000 0.447 469 L N 0.967 122.104 121.223 -0.144 0.000 2.042 469 L HA -0.226 4.114 4.340 0.001 0.000 0.210 469 L C 2.391 179.171 176.870 -0.151 0.000 1.076 469 L CA 1.003 55.710 54.840 -0.222 0.000 0.749 469 L CB -0.443 41.430 42.059 -0.309 0.000 0.893 469 L HN 0.040 nan 8.230 nan 0.000 0.432 470 K N 0.159 120.502 120.400 -0.094 0.000 2.097 470 K HA -0.174 4.147 4.320 0.001 0.000 0.205 470 K C 2.131 178.704 176.600 -0.044 0.000 1.050 470 K CA 1.017 57.270 56.287 -0.057 0.000 0.938 470 K CB -0.189 32.291 32.500 -0.033 0.000 0.718 470 K HN 0.031 nan 8.250 nan 0.000 0.442 471 K N 1.530 121.906 120.400 -0.040 0.000 2.148 471 K HA 0.007 4.328 4.320 0.001 0.000 0.204 471 K C 1.830 178.410 176.600 -0.034 0.000 1.050 471 K CA 0.841 57.129 56.287 0.001 0.000 0.942 471 K CB -0.297 32.212 32.500 0.015 0.000 0.724 471 K HN 0.051 nan 8.250 nan 0.000 0.446 472 L N -0.718 120.398 121.223 -0.178 0.000 2.622 472 L HA 0.096 4.437 4.340 0.001 0.000 0.233 472 L C 1.007 177.528 176.870 -0.581 0.000 1.156 472 L CA 0.619 55.161 54.840 -0.497 0.000 0.866 472 L CB -0.250 41.620 42.059 -0.315 0.000 0.980 472 L HN 0.529 nan 8.230 nan 0.000 0.448 473 G N 0.162 108.836 108.800 -0.211 0.000 2.132 473 G HA2 -0.224 3.736 3.960 0.001 0.000 0.234 473 G HA3 -0.224 3.736 3.960 0.001 0.000 0.234 473 G C 0.146 175.020 174.900 -0.044 0.000 0.989 473 G CA -0.479 44.583 45.100 -0.062 0.000 0.676 473 G HN 0.127 nan 8.290 nan 0.000 0.522 474 I N 1.773 122.302 120.570 -0.068 0.000 2.363 474 I HA 0.233 4.403 4.170 0.001 0.000 0.292 474 I C 0.730 176.844 176.117 -0.006 0.000 1.075 474 I CA -0.495 60.794 61.300 -0.018 0.000 1.333 474 I CB 0.860 38.828 38.000 -0.053 0.000 1.415 474 I HN 0.038 nan 8.210 nan 0.000 0.502 475 D N 3.130 123.543 120.400 0.022 0.000 2.201 475 D HA -0.080 4.560 4.640 0.001 0.000 0.209 475 D C 0.584 176.900 176.300 0.026 0.000 0.961 475 D CA 1.084 55.096 54.000 0.020 0.000 0.861 475 D CB 0.392 41.209 40.800 0.028 0.000 0.997 475 D HN 0.463 nan 8.370 nan 0.000 0.486 476 D N 0.891 121.322 120.400 0.052 0.000 2.494 476 D HA 0.061 4.702 4.640 0.001 0.000 0.217 476 D C 1.022 177.358 176.300 0.060 0.000 1.153 476 D CA -0.310 53.726 54.000 0.061 0.000 0.954 476 D CB 0.589 41.465 40.800 0.128 0.000 1.034 476 D HN -0.179 nan 8.370 nan 0.000 0.518 477 L N 3.205 124.439 121.223 0.018 0.000 2.141 477 L HA -0.112 4.228 4.340 0.001 0.000 0.209 477 L C 2.385 179.290 176.870 0.058 0.000 1.094 477 L CA 0.901 55.762 54.840 0.035 0.000 0.763 477 L CB -0.280 41.783 42.059 0.007 0.000 0.908 477 L HN 0.302 nan 8.230 nan 0.000 0.437 478 V N -1.480 118.393 119.914 -0.068 0.000 2.515 478 V HA -0.270 3.851 4.120 0.001 0.000 0.250 478 V C 1.638 177.644 176.094 -0.147 0.000 1.058 478 V CA 1.689 63.888 62.300 -0.168 0.000 1.064 478 V CB -0.883 30.694 31.823 -0.411 0.000 0.675 478 V HN 0.574 nan 8.190 nan 0.000 0.461 479 H N -2.399 116.730 119.070 0.098 0.000 2.652 479 H HA 0.262 4.818 4.556 0.001 0.000 0.274 479 H C 0.490 175.843 175.328 0.041 0.000 1.021 479 H CA -0.709 55.376 56.048 0.063 0.000 1.187 479 H CB 0.249 30.027 29.762 0.027 0.000 1.505 479 H HN 0.380 nan 8.280 nan 0.000 0.530 480 F N 2.542 122.485 119.950 -0.010 0.000 2.623 480 F HA -0.087 4.440 4.527 0.001 0.000 0.383 480 F C 0.701 176.375 175.800 -0.211 0.000 1.077 480 F CA -0.447 57.440 58.000 -0.189 0.000 1.268 480 F CB 0.473 39.231 39.000 -0.404 0.000 1.053 480 F HN 0.070 nan 8.300 nan 0.000 0.571 481 D N 6.489 126.387 120.400 -0.837 0.000 2.608 481 D HA 0.064 4.704 4.640 0.001 0.000 0.224 481 D C -0.678 175.448 176.300 -0.290 0.000 1.123 481 D CA -0.026 53.715 54.000 -0.432 0.000 1.030 481 D CB -0.941 39.612 40.800 -0.412 0.000 1.093 481 D HN 0.177 nan 8.370 nan 0.000 0.497 482 F N 1.612 121.590 119.950 0.046 0.000 2.471 482 F HA 0.116 4.643 4.527 0.001 0.000 0.353 482 F C 1.842 177.667 175.800 0.041 0.000 1.113 482 F CA -0.396 57.675 58.000 0.118 0.000 1.262 482 F CB 0.960 40.054 39.000 0.158 0.000 1.146 482 F HN 0.210 nan 8.300 nan 0.000 0.578 483 M N 1.004 120.615 119.600 0.018 0.000 2.149 483 M HA -0.142 4.339 4.480 0.001 0.000 0.261 483 M C -0.302 175.976 176.300 -0.036 0.000 1.064 483 M CA 1.956 57.095 55.300 -0.267 0.000 1.102 483 M CB 0.088 32.303 32.600 -0.642 0.000 1.369 483 M HN 0.421 nan 8.290 nan 0.000 0.408 484 D N 1.357 121.774 120.400 0.028 0.000 2.421 484 D HA 0.345 4.985 4.640 0.001 0.000 0.254 484 D C -2.554 173.762 176.300 0.027 0.000 1.238 484 D CA -1.268 52.743 54.000 0.018 0.000 0.919 484 D CB 1.484 42.268 40.800 -0.027 0.000 1.152 484 D HN 0.079 nan 8.370 nan 0.000 0.552 485 P HA 0.120 nan 4.420 nan 0.000 0.268 485 P C -2.270 175.003 177.300 -0.046 0.000 1.204 485 P CA -0.816 62.341 63.100 0.095 0.000 0.768 485 P CB 0.126 31.916 31.700 0.149 0.000 0.842 486 P HA 0.191 nan 4.420 nan 0.000 0.276 486 P C -0.769 176.496 177.300 -0.058 0.000 1.261 486 P CA -0.528 62.482 63.100 -0.150 0.000 0.800 486 P CB 0.524 32.072 31.700 -0.253 0.000 1.066 487 A N 2.148 124.938 122.820 -0.049 0.000 2.540 487 A HA 0.214 4.534 4.320 0.001 0.000 0.239 487 A C -1.371 176.205 177.584 -0.012 0.000 1.061 487 A CA -0.660 51.369 52.037 -0.014 0.000 0.758 487 A CB -1.103 17.897 19.000 0.000 0.000 0.991 487 A HN 0.393 nan 8.150 nan 0.000 0.502 488 P HA -0.091 nan 4.420 nan 0.000 0.222 488 P C 0.787 178.087 177.300 0.000 0.000 1.147 488 P CA 1.071 64.172 63.100 0.003 0.000 0.790 488 P CB 0.261 31.965 31.700 0.006 0.000 0.780 489 E N -0.955 119.249 120.200 0.006 0.000 2.110 489 E HA -0.116 4.234 4.350 0.001 0.000 0.193 489 E C 1.902 178.511 176.600 0.015 0.000 0.988 489 E CA 1.545 57.953 56.400 0.013 0.000 0.804 489 E CB -1.536 28.177 29.700 0.022 0.000 0.745 489 E HN 0.251 nan 8.360 nan 0.000 0.458 490 T N 0.720 115.276 114.554 0.004 0.000 2.777 490 T HA -0.087 4.264 4.350 0.001 0.000 0.266 490 T C 1.740 176.417 174.700 -0.038 0.000 1.040 490 T CA 1.003 63.091 62.100 -0.020 0.000 1.141 490 T CB -0.083 68.723 68.868 -0.104 0.000 0.868 490 T HN 0.050 nan 8.240 nan 0.000 0.444 491 M N 0.736 120.314 119.600 -0.036 0.000 2.117 491 M HA -0.006 4.474 4.480 0.001 0.000 0.262 491 M C 2.243 178.536 176.300 -0.012 0.000 1.065 491 M CA 1.406 56.691 55.300 -0.024 0.000 1.114 491 M CB -0.857 31.741 32.600 -0.003 0.000 1.361 491 M HN 0.231 nan 8.290 nan 0.000 0.408 492 M N -0.548 119.049 119.600 -0.005 0.000 2.159 492 M HA -0.148 4.332 4.480 0.001 0.000 0.263 492 M C 2.039 178.345 176.300 0.010 0.000 1.063 492 M CA 1.448 56.748 55.300 -0.001 0.000 1.110 492 M CB -1.296 31.304 32.600 0.000 0.000 1.374 492 M HN 0.199 nan 8.290 nan 0.000 0.411 493 R N 0.087 120.598 120.500 0.019 0.000 2.081 493 R HA -0.027 4.314 4.340 0.001 0.000 0.235 493 R C 2.237 178.556 176.300 0.032 0.000 1.131 493 R CA 1.598 57.721 56.100 0.038 0.000 0.960 493 R CB -1.044 29.285 30.300 0.049 0.000 0.856 493 R HN 0.429 nan 8.270 nan 0.000 0.436 494 A N 1.357 124.180 122.820 0.005 0.000 1.883 494 A HA -0.145 4.176 4.320 0.001 0.000 0.217 494 A C 2.410 179.992 177.584 -0.004 0.000 1.186 494 A CA 1.238 53.269 52.037 -0.010 0.000 0.624 494 A CB -0.647 18.332 19.000 -0.034 0.000 0.822 494 A HN 0.191 nan 8.150 nan 0.000 0.444 495 L N -0.903 120.316 121.223 -0.006 0.000 2.017 495 L HA -0.233 4.108 4.340 0.001 0.000 0.208 495 L C 2.688 179.552 176.870 -0.009 0.000 1.073 495 L CA 1.956 56.789 54.840 -0.011 0.000 0.745 495 L CB -0.495 41.556 42.059 -0.014 0.000 0.894 495 L HN 0.616 nan 8.230 nan 0.000 0.432 496 E N 0.283 120.486 120.200 0.005 0.000 2.058 496 E HA -0.273 4.077 4.350 0.001 0.000 0.194 496 E C 2.028 178.678 176.600 0.083 0.000 0.997 496 E CA 1.577 57.980 56.400 0.005 0.000 0.801 496 E CB 0.043 29.787 29.700 0.073 0.000 0.746 496 E HN 0.484 nan 8.360 nan 0.000 0.450 497 E N 0.174 120.450 120.200 0.127 0.000 2.077 497 E HA -0.179 4.172 4.350 0.001 0.000 0.193 497 E C 2.277 178.927 176.600 0.083 0.000 0.989 497 E CA 1.017 57.505 56.400 0.146 0.000 0.800 497 E CB -0.053 29.666 29.700 0.030 0.000 0.746 497 E HN 0.333 nan 8.360 nan 0.000 0.452 498 L N 1.065 122.303 121.223 0.024 0.000 2.141 498 L HA -0.184 4.156 4.340 0.001 0.000 0.209 498 L C 2.322 179.204 176.870 0.020 0.000 1.094 498 L CA 0.762 55.606 54.840 0.006 0.000 0.763 498 L CB -0.327 41.725 42.059 -0.013 0.000 0.908 498 L HN 0.158 nan 8.230 nan 0.000 0.437 499 N N -0.360 118.338 118.700 -0.003 0.000 2.106 499 N HA -0.223 4.517 4.740 0.001 0.000 0.188 499 N C 1.858 177.364 175.510 -0.008 0.000 1.029 499 N CA 1.508 54.531 53.050 -0.046 0.000 0.848 499 N CB -0.213 38.202 38.487 -0.121 0.000 1.007 499 N HN 0.172 nan 8.380 nan 0.000 0.423 500 Y N 0.673 121.047 120.300 0.123 0.000 2.207 500 Y HA -0.045 4.506 4.550 0.001 0.000 0.287 500 Y C 1.923 177.982 175.900 0.266 0.000 1.156 500 Y CA 0.941 59.173 58.100 0.221 0.000 1.182 500 Y CB -0.401 38.258 38.460 0.332 0.000 0.979 500 Y HN 0.106 nan 8.280 nan 0.000 0.521 501 L N -0.796 120.610 121.223 0.306 0.000 2.610 501 L HA 0.052 4.392 4.340 0.001 0.000 0.232 501 L C 1.613 178.555 176.870 0.120 0.000 1.149 501 L CA 0.662 55.627 54.840 0.208 0.000 0.872 501 L CB -0.579 41.498 42.059 0.030 0.000 0.992 501 L HN 0.296 nan 8.230 nan 0.000 0.447 502 A N -1.891 120.981 122.820 0.086 0.000 2.899 502 A HA -0.279 4.041 4.320 0.001 0.000 0.257 502 A C 1.566 179.153 177.584 0.006 0.000 1.335 502 A CA 0.950 53.001 52.037 0.024 0.000 0.924 502 A CB -2.431 16.575 19.000 0.010 0.000 1.105 502 A HN 0.500 nan 8.150 nan 0.000 0.765 503 C N -0.827 118.477 119.300 0.008 0.000 2.446 503 C HA 0.403 4.863 4.460 0.001 0.000 0.279 503 C C 1.205 176.192 174.990 -0.006 0.000 1.366 503 C CA 1.210 60.226 59.018 -0.004 0.000 1.763 503 C CB -0.877 26.856 27.740 -0.010 0.000 1.929 503 C HN 0.610 nan 8.230 nan 0.000 0.509 504 L N 0.948 122.167 121.223 -0.007 0.000 2.354 504 L HA 0.439 4.779 4.340 0.001 0.000 0.264 504 L C -0.664 176.200 176.870 -0.010 0.000 1.008 504 L CA -0.645 54.191 54.840 -0.008 0.000 0.819 504 L CB 1.713 43.765 42.059 -0.011 0.000 1.339 504 L HN 0.168 nan 8.230 nan 0.000 0.420 505 D N -1.020 119.378 120.400 -0.003 0.000 2.506 505 D HA 0.057 4.698 4.640 0.001 0.000 0.272 505 D C 0.422 176.736 176.300 0.025 0.000 1.214 505 D CA -0.497 53.506 54.000 0.005 0.000 1.067 505 D CB 0.505 41.314 40.800 0.015 0.000 1.117 505 D HN 0.603 nan 8.370 nan 0.000 0.578 506 D N -1.113 119.332 120.400 0.075 0.000 2.348 506 D HA -0.149 4.492 4.640 0.001 0.000 0.216 506 D C 0.565 176.892 176.300 0.046 0.000 0.970 506 D CA 0.533 54.584 54.000 0.086 0.000 0.889 506 D CB -0.169 40.755 40.800 0.208 0.000 0.912 506 D HN 0.607 nan 8.370 nan 0.000 0.524 507 E N 0.155 120.381 120.200 0.043 0.000 2.489 507 E HA 0.216 4.567 4.350 0.001 0.000 0.193 507 E C 1.099 177.708 176.600 0.014 0.000 1.057 507 E CA 0.252 56.667 56.400 0.025 0.000 0.866 507 E CB 0.298 30.016 29.700 0.029 0.000 0.916 507 E HN 0.444 nan 8.360 nan 0.000 0.500 508 G N 1.779 110.584 108.800 0.009 0.000 2.157 508 G HA2 -0.218 3.742 3.960 0.001 0.000 0.248 508 G HA3 -0.218 3.742 3.960 0.001 0.000 0.248 508 G C -0.037 174.865 174.900 0.003 0.000 0.979 508 G CA -0.235 44.866 45.100 0.001 0.000 0.650 508 G HN 0.153 nan 8.290 nan 0.000 0.529 509 N N 0.264 118.969 118.700 0.009 0.000 2.498 509 N HA 0.531 5.272 4.740 0.001 0.000 0.287 509 N C 0.797 176.311 175.510 0.006 0.000 1.097 509 N CA -0.456 52.600 53.050 0.010 0.000 0.973 509 N CB 1.082 39.578 38.487 0.015 0.000 1.153 509 N HN 0.285 nan 8.380 nan 0.000 0.472 510 L N 1.009 122.236 121.223 0.007 0.000 2.514 510 L HA 0.040 4.380 4.340 0.001 0.000 0.280 510 L C 1.422 178.296 176.870 0.006 0.000 1.223 510 L CA 0.206 55.050 54.840 0.005 0.000 0.864 510 L CB 0.019 42.084 42.059 0.010 0.000 1.118 510 L HN 0.627 nan 8.230 nan 0.000 0.494 511 T N -0.693 113.862 114.554 0.002 0.000 2.923 511 T HA 0.378 4.728 4.350 0.001 0.000 0.281 511 T C -1.977 172.724 174.700 0.003 0.000 0.995 511 T CA -1.964 60.135 62.100 -0.000 0.000 0.985 511 T CB 1.546 70.409 68.868 -0.008 0.000 1.114 511 T HN 0.278 nan 8.240 nan 0.000 0.548 512 P HA -0.083 nan 4.420 nan 0.000 0.216 512 P C 1.681 178.986 177.300 0.008 0.000 1.150 512 P CA 0.458 63.565 63.100 0.011 0.000 0.843 512 P CB -0.071 31.637 31.700 0.014 0.000 0.787 513 L N -0.281 120.942 121.223 0.001 0.000 2.017 513 L HA -0.025 4.316 4.340 0.001 0.000 0.208 513 L C 2.278 179.147 176.870 -0.002 0.000 1.073 513 L CA 2.465 57.303 54.840 -0.003 0.000 0.745 513 L CB -1.695 40.356 42.059 -0.013 0.000 0.894 513 L HN -0.043 nan 8.230 nan 0.000 0.432 514 G N -0.884 107.915 108.800 -0.002 0.000 2.422 514 G HA2 -0.251 3.710 3.960 0.001 0.000 0.218 514 G HA3 -0.251 3.710 3.960 0.001 0.000 0.218 514 G C 1.774 176.675 174.900 0.002 0.000 1.146 514 G CA 0.778 45.877 45.100 -0.001 0.000 0.769 514 G HN 0.395 nan 8.290 nan 0.000 0.547 515 R N -0.812 119.689 120.500 0.001 0.000 2.066 515 R HA 0.036 4.376 4.340 0.001 0.000 0.232 515 R C 2.472 178.755 176.300 -0.028 0.000 1.131 515 R CA 1.046 57.143 56.100 -0.005 0.000 0.955 515 R CB -0.549 29.751 30.300 0.001 0.000 0.851 515 R HN 0.350 nan 8.270 nan 0.000 0.432 516 L N 0.900 122.109 121.223 -0.024 0.000 2.046 516 L HA -0.106 4.235 4.340 0.001 0.000 0.208 516 L C 2.239 179.162 176.870 0.088 0.000 1.077 516 L CA 1.946 56.768 54.840 -0.029 0.000 0.747 516 L CB -0.701 41.375 42.059 0.028 0.000 0.896 516 L HN 0.142 nan 8.230 nan 0.000 0.432 517 A N -0.941 121.921 122.820 0.069 0.000 1.940 517 A HA -0.232 4.088 4.320 0.001 0.000 0.219 517 A C 2.424 180.088 177.584 0.133 0.000 1.176 517 A CA 2.009 54.103 52.037 0.094 0.000 0.631 517 A CB -1.134 17.874 19.000 0.013 0.000 0.814 517 A HN 0.668 nan 8.150 nan 0.000 0.446 518 S N -1.018 114.716 115.700 0.057 0.000 2.507 518 S HA -0.106 4.365 4.470 0.001 0.000 0.235 518 S C 1.463 176.075 174.600 0.019 0.000 0.988 518 S CA 1.032 59.254 58.200 0.036 0.000 0.944 518 S CB -0.227 62.980 63.200 0.013 0.000 0.762 518 S HN 0.562 nan 8.310 nan 0.000 0.526 519 Q N 0.032 119.820 119.800 -0.021 0.000 2.451 519 Q HA 0.327 4.667 4.340 0.001 0.000 0.206 519 Q C -0.645 175.223 176.000 -0.220 0.000 0.947 519 Q CA 0.276 55.974 55.803 -0.174 0.000 0.937 519 Q CB -0.131 28.288 28.738 -0.530 0.000 1.025 519 Q HN 0.647 nan 8.270 nan 0.000 0.511 520 F N 2.076 122.017 119.950 -0.014 0.000 2.436 520 F HA 0.297 4.824 4.527 0.001 0.000 0.340 520 F C -1.757 174.062 175.800 0.032 0.000 1.113 520 F CA -2.568 55.461 58.000 0.048 0.000 1.022 520 F CB 1.595 40.632 39.000 0.061 0.000 1.128 520 F HN -0.172 nan 8.300 nan 0.000 0.466 521 P HA 0.271 nan 4.420 nan 0.000 0.225 521 P C -0.996 176.374 177.300 0.117 0.000 1.813 521 P CA 0.384 63.506 63.100 0.036 0.000 1.013 521 P CB 0.068 31.647 31.700 -0.202 0.000 1.961 522 L N 0.071 121.385 121.223 0.150 0.000 2.465 522 L HA 0.404 4.744 4.340 0.001 0.000 0.257 522 L C 0.325 177.243 176.870 0.080 0.000 0.988 522 L CA -1.073 53.856 54.840 0.148 0.000 0.827 522 L CB 2.478 44.643 42.059 0.176 0.000 1.397 522 L HN 0.076 nan 8.230 nan 0.000 0.410 523 D N 2.279 122.716 120.400 0.061 0.000 2.478 523 D HA -0.010 4.631 4.640 0.001 0.000 0.234 523 D C -1.856 174.427 176.300 -0.028 0.000 1.154 523 D CA -0.808 53.201 54.000 0.014 0.000 0.874 523 D CB 1.822 42.635 40.800 0.020 0.000 1.198 523 D HN 0.220 nan 8.370 nan 0.000 0.455 524 P HA -0.135 nan 4.420 nan 0.000 0.216 524 P C 1.706 178.905 177.300 -0.167 0.000 1.150 524 P CA 1.541 64.585 63.100 -0.092 0.000 0.837 524 P CB 0.081 31.724 31.700 -0.095 0.000 0.786 525 M N -1.744 117.685 119.600 -0.286 0.000 2.117 525 M HA -0.149 4.331 4.480 0.001 0.000 0.262 525 M C 2.081 178.169 176.300 -0.353 0.000 1.065 525 M CA 1.785 56.764 55.300 -0.534 0.000 1.114 525 M CB -0.968 30.972 32.600 -1.099 0.000 1.361 525 M HN -0.055 nan 8.290 nan 0.000 0.408 526 L N -0.308 120.840 121.223 -0.124 0.000 2.056 526 L HA -0.157 4.183 4.340 0.001 0.000 0.207 526 L C 2.859 179.713 176.870 -0.028 0.000 1.078 526 L CA 1.111 55.990 54.840 0.066 0.000 0.749 526 L CB -0.875 41.261 42.059 0.129 0.000 0.901 526 L HN 0.296 nan 8.230 nan 0.000 0.433 527 A N -0.341 122.436 122.820 -0.072 0.000 1.877 527 A HA -0.150 4.170 4.320 0.001 0.000 0.216 527 A C 2.340 179.808 177.584 -0.194 0.000 1.186 527 A CA 1.757 53.694 52.037 -0.166 0.000 0.620 527 A CB -0.833 18.113 19.000 -0.090 0.000 0.822 527 A HN 0.179 nan 8.150 nan 0.000 0.443 528 V N -0.047 119.791 119.914 -0.126 0.000 2.343 528 V HA -0.317 3.803 4.120 0.001 0.000 0.247 528 V C 2.621 178.679 176.094 -0.061 0.000 1.051 528 V CA 2.322 64.567 62.300 -0.092 0.000 1.036 528 V CB -0.665 31.114 31.823 -0.074 0.000 0.654 528 V HN 0.754 nan 8.190 nan 0.000 0.451 529 M N -0.594 118.981 119.600 -0.041 0.000 2.117 529 M HA -0.191 4.289 4.480 0.001 0.000 0.262 529 M C 2.086 178.376 176.300 -0.016 0.000 1.065 529 M CA 2.061 57.369 55.300 0.012 0.000 1.114 529 M CB -0.187 32.467 32.600 0.090 0.000 1.361 529 M HN 0.356 nan 8.290 nan 0.000 0.408 530 L N 0.807 121.984 121.223 -0.075 0.000 2.056 530 L HA -0.078 4.262 4.340 0.001 0.000 0.207 530 L C 2.059 178.859 176.870 -0.116 0.000 1.078 530 L CA 1.773 56.548 54.840 -0.108 0.000 0.749 530 L CB -0.590 41.342 42.059 -0.212 0.000 0.901 530 L HN 0.386 nan 8.230 nan 0.000 0.433 531 I N -0.617 119.843 120.570 -0.183 0.000 2.226 531 I HA -0.199 3.972 4.170 0.001 0.000 0.245 531 I C 2.246 178.298 176.117 -0.108 0.000 1.100 531 I CA 1.406 62.626 61.300 -0.133 0.000 1.374 531 I CB -0.795 37.116 38.000 -0.147 0.000 1.057 531 I HN 0.417 nan 8.210 nan 0.000 0.413 532 G N -0.219 108.521 108.800 -0.100 0.000 2.650 532 G HA2 -0.153 3.808 3.960 0.001 0.000 0.214 532 G HA3 -0.153 3.808 3.960 0.001 0.000 0.214 532 G C 1.706 176.524 174.900 -0.136 0.000 1.136 532 G CA 0.704 45.708 45.100 -0.160 0.000 0.789 532 G HN 0.493 nan 8.290 nan 0.000 0.536 533 S N 1.249 116.952 115.700 0.005 0.000 2.423 533 S HA -0.135 4.335 4.470 0.001 0.000 0.231 533 S C 2.087 176.730 174.600 0.072 0.000 1.014 533 S CA 1.263 59.538 58.200 0.125 0.000 0.965 533 S CB -0.588 62.657 63.200 0.075 0.000 0.785 533 S HN 0.621 nan 8.310 nan 0.000 0.495 534 F N 2.146 122.105 119.950 0.015 0.000 2.451 534 F HA 0.274 4.802 4.527 0.001 0.000 0.299 534 F C 1.890 177.645 175.800 -0.075 0.000 1.101 534 F CA 0.638 58.629 58.000 -0.015 0.000 1.436 534 F CB -0.584 38.411 39.000 -0.008 0.000 1.074 534 F HN 0.065 nan 8.300 nan 0.000 0.553 535 E N 0.251 120.083 120.200 -0.612 0.000 2.358 535 E HA -0.067 4.284 4.350 0.001 0.000 0.195 535 E C 1.048 177.311 176.600 -0.561 0.000 1.010 535 E CA 0.689 56.718 56.400 -0.619 0.000 0.856 535 E CB -0.377 28.800 29.700 -0.871 0.000 0.795 535 E HN 0.548 nan 8.360 nan 0.000 0.504 536 F N 0.773 120.625 119.950 -0.164 0.000 2.664 536 F HA 0.138 4.665 4.527 0.001 0.000 0.303 536 F C 0.517 176.244 175.800 -0.123 0.000 1.092 536 F CA -0.166 57.739 58.000 -0.159 0.000 1.305 536 F CB 0.297 39.182 39.000 -0.192 0.000 1.054 536 F HN -0.226 nan 8.300 nan 0.000 0.565 537 Q N -0.145 119.688 119.800 0.055 0.000 2.453 537 Q HA -0.250 4.090 4.340 0.001 0.000 0.294 537 Q C 0.423 176.433 176.000 0.018 0.000 1.295 537 Q CA 1.101 56.934 55.803 0.050 0.000 0.853 537 Q CB -2.591 26.160 28.738 0.021 0.000 1.193 537 Q HN 0.693 nan 8.270 nan 0.000 0.461 538 C N -3.607 115.710 119.300 0.029 0.000 3.359 538 C HA 0.433 4.893 4.460 0.001 0.000 0.279 538 C C 1.864 176.859 174.990 0.009 0.000 2.476 538 C CA 0.026 59.022 59.018 -0.036 0.000 1.566 538 C CB -0.438 27.206 27.740 -0.161 0.000 3.185 538 C HN 0.444 nan 8.230 nan 0.000 0.435 539 S N 0.654 116.397 115.700 0.072 0.000 2.423 539 S HA -0.192 4.279 4.470 0.001 0.000 0.231 539 S C 1.684 176.320 174.600 0.061 0.000 1.014 539 S CA 1.320 59.571 58.200 0.086 0.000 0.965 539 S CB -0.442 62.852 63.200 0.158 0.000 0.785 539 S HN 0.790 nan 8.310 nan 0.000 0.495 540 Q N 0.843 120.679 119.800 0.060 0.000 2.096 540 Q HA -0.153 4.188 4.340 0.001 0.000 0.204 540 Q C 2.130 178.161 176.000 0.052 0.000 0.982 540 Q CA 1.883 57.724 55.803 0.064 0.000 0.850 540 Q CB -0.178 28.607 28.738 0.079 0.000 0.901 540 Q HN 0.617 nan 8.270 nan 0.000 0.422 541 E N 0.089 120.305 120.200 0.026 0.000 2.107 541 E HA -0.107 4.244 4.350 0.001 0.000 0.191 541 E C 1.776 178.371 176.600 -0.009 0.000 0.982 541 E CA 0.673 57.080 56.400 0.011 0.000 0.809 541 E CB 0.027 29.690 29.700 -0.063 0.000 0.756 541 E HN 0.240 nan 8.360 nan 0.000 0.459 542 I N 0.576 121.134 120.570 -0.021 0.000 2.315 542 I HA -0.154 4.016 4.170 0.001 0.000 0.248 542 I C 2.167 178.275 176.117 -0.015 0.000 1.117 542 I CA 0.661 61.949 61.300 -0.020 0.000 1.404 542 I CB -0.798 37.192 38.000 -0.017 0.000 1.071 542 I HN 0.207 nan 8.210 nan 0.000 0.419 543 L N 1.006 122.226 121.223 -0.005 0.000 2.012 543 L HA -0.212 4.129 4.340 0.001 0.000 0.210 543 L C 2.420 179.241 176.870 -0.082 0.000 1.073 543 L CA 2.162 56.992 54.840 -0.016 0.000 0.748 543 L CB -1.229 40.839 42.059 0.015 0.000 0.891 543 L HN 0.136 nan 8.230 nan 0.000 0.431 544 T N 0.016 114.515 114.554 -0.092 0.000 2.708 544 T HA -0.134 4.217 4.350 0.001 0.000 0.266 544 T C 1.998 176.593 174.700 -0.174 0.000 1.037 544 T CA 2.035 64.005 62.100 -0.216 0.000 1.146 544 T CB -0.310 68.505 68.868 -0.088 0.000 0.865 544 T HN 0.354 nan 8.240 nan 0.000 0.435 545 I N 0.739 121.269 120.570 -0.066 0.000 2.226 545 I HA -0.140 4.030 4.170 0.001 0.000 0.245 545 I C 2.448 178.541 176.117 -0.041 0.000 1.100 545 I CA 0.823 62.104 61.300 -0.032 0.000 1.374 545 I CB -0.405 37.605 38.000 0.018 0.000 1.057 545 I HN 0.085 nan 8.210 nan 0.000 0.413 546 V N 1.097 120.991 119.914 -0.032 0.000 2.343 546 V HA -0.315 3.806 4.120 0.001 0.000 0.247 546 V C 2.730 178.794 176.094 -0.050 0.000 1.051 546 V CA 2.043 64.338 62.300 -0.009 0.000 1.036 546 V CB -1.002 30.827 31.823 0.010 0.000 0.654 546 V HN 0.503 nan 8.190 nan 0.000 0.451 547 A N -0.651 122.093 122.820 -0.125 0.000 1.902 547 A HA -0.219 4.101 4.320 0.001 0.000 0.217 547 A C 2.216 179.693 177.584 -0.179 0.000 1.181 547 A CA 2.001 53.922 52.037 -0.193 0.000 0.623 547 A CB -0.461 18.354 19.000 -0.308 0.000 0.818 547 A HN 0.403 nan 8.150 nan 0.000 0.443 548 M N -0.511 118.980 119.600 -0.181 0.000 2.229 548 M HA 0.008 4.489 4.480 0.001 0.000 0.264 548 M C 1.947 178.188 176.300 -0.099 0.000 1.063 548 M CA 1.120 56.334 55.300 -0.144 0.000 1.114 548 M CB -1.191 31.341 32.600 -0.113 0.000 1.387 548 M HN 0.383 nan 8.290 nan 0.000 0.420 549 L N -0.736 120.444 121.223 -0.071 0.000 2.465 549 L HA -0.085 4.255 4.340 0.001 0.000 0.224 549 L C 1.565 178.429 176.870 -0.010 0.000 1.145 549 L CA 0.396 55.210 54.840 -0.044 0.000 0.834 549 L CB -0.352 41.696 42.059 -0.018 0.000 0.944 549 L HN 0.178 nan 8.230 nan 0.000 0.451 550 S N -0.796 114.895 115.700 -0.015 0.000 2.597 550 S HA 0.157 4.627 4.470 0.001 0.000 0.224 550 S C 0.231 174.834 174.600 0.006 0.000 0.955 550 S CA -0.207 58.009 58.200 0.026 0.000 0.933 550 S CB 0.041 63.270 63.200 0.048 0.000 0.788 550 S HN 0.253 nan 8.310 nan 0.000 0.488 551 V N -2.040 117.852 119.914 -0.037 0.000 3.160 551 V HA 0.717 4.837 4.120 0.001 0.000 0.310 551 V C -3.192 172.870 176.094 -0.055 0.000 1.181 551 V CA -2.883 59.389 62.300 -0.046 0.000 1.047 551 V CB 0.570 32.338 31.823 -0.091 0.000 1.068 551 V HN -0.190 nan 8.190 nan 0.000 0.441 552 P HA 0.164 nan 4.420 nan 0.000 0.270 552 P C -0.379 176.873 177.300 -0.079 0.000 1.223 552 P CA -0.103 62.963 63.100 -0.056 0.000 0.785 552 P CB 0.098 31.763 31.700 -0.058 0.000 0.923 553 N N 1.162 119.830 118.700 -0.053 0.000 2.223 553 N HA -0.098 4.642 4.740 0.001 0.000 0.271 553 N C 0.813 176.266 175.510 -0.096 0.000 1.315 553 N CA 0.392 53.425 53.050 -0.029 0.000 0.835 553 N CB 0.283 38.783 38.487 0.022 0.000 1.066 553 N HN 0.212 nan 8.380 nan 0.000 0.486 554 V N 1.756 121.517 119.914 -0.256 0.000 3.608 554 V HA 0.323 4.444 4.120 0.001 0.000 0.269 554 V C 0.329 176.171 176.094 -0.420 0.000 1.245 554 V CA 0.222 62.283 62.300 -0.399 0.000 1.138 554 V CB -1.058 30.420 31.823 -0.576 0.000 0.841 554 V HN 0.326 nan 8.190 nan 0.000 0.451 555 F N 1.535 121.476 119.950 -0.015 0.000 2.424 555 F HA 0.593 5.120 4.527 0.001 0.000 0.356 555 F C 0.424 176.252 175.800 0.048 0.000 1.110 555 F CA -0.993 57.025 58.000 0.030 0.000 1.161 555 F CB 0.558 39.578 39.000 0.033 0.000 1.115 555 F HN -0.062 nan 8.300 nan 0.000 0.507 556 I N 4.377 125.096 120.570 0.248 0.000 2.365 556 I HA 0.374 4.545 4.170 0.001 0.000 0.291 556 I C 0.247 176.513 176.117 0.248 0.000 1.004 556 I CA -0.443 60.976 61.300 0.198 0.000 1.311 556 I CB 1.235 39.332 38.000 0.161 0.000 1.401 556 I HN 0.555 nan 8.210 nan 0.000 0.491 557 R N 7.231 127.829 120.500 0.163 0.000 2.639 557 R HA 0.371 4.712 4.340 0.001 0.000 0.273 557 R C -2.639 173.716 176.300 0.091 0.000 1.732 557 R CA -1.481 54.691 56.100 0.120 0.000 1.586 557 R CB 0.863 31.204 30.300 0.068 0.000 1.263 557 R HN 0.339 nan 8.270 nan 0.000 0.615 558 P HA 0.075 nan 4.420 nan 0.000 0.268 558 P C 0.533 177.860 177.300 0.046 0.000 1.205 558 P CA -0.089 63.058 63.100 0.078 0.000 0.771 558 P CB 1.040 32.800 31.700 0.101 0.000 0.858 559 T N 0.620 115.187 114.554 0.021 0.000 2.737 559 T HA -0.146 4.204 4.350 0.001 0.000 0.269 559 T C 1.100 175.804 174.700 0.005 0.000 1.040 559 T CA 1.260 63.363 62.100 0.004 0.000 1.142 559 T CB -0.241 68.623 68.868 -0.008 0.000 0.861 559 T HN 0.322 nan 8.240 nan 0.000 0.456 560 K N 0.973 121.381 120.400 0.014 0.000 2.446 560 K HA 0.241 4.561 4.320 0.001 0.000 0.203 560 K C 0.150 176.764 176.600 0.023 0.000 1.027 560 K CA 0.109 56.403 56.287 0.012 0.000 1.166 560 K CB 0.412 32.917 32.500 0.009 0.000 0.869 560 K HN 0.245 nan 8.250 nan 0.000 0.504 561 D N -0.188 120.232 120.400 0.034 0.000 2.914 561 D HA 0.126 4.767 4.640 0.001 0.000 0.349 561 D C 0.575 176.874 176.300 -0.002 0.000 1.540 561 D CA 0.086 54.114 54.000 0.046 0.000 0.778 561 D CB 0.390 41.271 40.800 0.136 0.000 1.213 561 D HN -0.137 nan 8.370 nan 0.000 0.451 562 K N -0.024 120.363 120.400 -0.021 0.000 2.147 562 K HA -0.175 4.145 4.320 0.001 0.000 0.205 562 K C 1.796 178.339 176.600 -0.094 0.000 1.049 562 K CA 0.962 57.219 56.287 -0.049 0.000 0.936 562 K CB 0.321 32.798 32.500 -0.039 0.000 0.722 562 K HN -0.050 nan 8.250 nan 0.000 0.446 563 K N 1.896 122.245 120.400 -0.084 0.000 2.002 563 K HA -0.120 4.200 4.320 0.001 0.000 0.209 563 K C 1.969 178.476 176.600 -0.155 0.000 1.048 563 K CA 1.508 57.737 56.287 -0.097 0.000 0.930 563 K CB -0.048 32.412 32.500 -0.066 0.000 0.714 563 K HN -0.024 nan 8.250 nan 0.000 0.438 564 R N -0.066 120.319 120.500 -0.191 0.000 2.092 564 R HA 0.074 4.415 4.340 0.001 0.000 0.231 564 R C 2.406 178.330 176.300 -0.626 0.000 1.119 564 R CA 1.088 57.005 56.100 -0.304 0.000 0.970 564 R CB -0.508 29.667 30.300 -0.210 0.000 0.864 564 R HN 0.328 nan 8.270 nan 0.000 0.440 565 A N 1.593 123.991 122.820 -0.703 0.000 1.883 565 A HA -0.227 4.094 4.320 0.001 0.000 0.217 565 A C 1.486 178.851 177.584 -0.365 0.000 1.186 565 A CA 2.002 53.578 52.037 -0.768 0.000 0.624 565 A CB -0.461 18.381 19.000 -0.264 0.000 0.822 565 A HN 0.166 nan 8.150 nan 0.000 0.444 566 D N 0.165 120.424 120.400 -0.235 0.000 2.117 566 D HA -0.108 4.533 4.640 0.001 0.000 0.198 566 D C 1.416 177.623 176.300 -0.155 0.000 0.982 566 D CA 1.318 55.222 54.000 -0.160 0.000 0.828 566 D CB -0.469 40.258 40.800 -0.122 0.000 0.967 566 D HN 0.395 nan 8.370 nan 0.000 0.464 567 D N 0.556 120.852 120.400 -0.173 0.000 2.123 567 D HA -0.121 4.519 4.640 0.001 0.000 0.196 567 D C 1.967 178.187 176.300 -0.134 0.000 0.992 567 D CA 1.256 55.172 54.000 -0.140 0.000 0.833 567 D CB -0.201 40.521 40.800 -0.131 0.000 0.954 567 D HN 0.161 nan 8.370 nan 0.000 0.455 568 A N 0.816 123.540 122.820 -0.160 0.000 1.929 568 A HA -0.161 4.160 4.320 0.001 0.000 0.216 568 A C 2.084 179.706 177.584 0.064 0.000 1.176 568 A CA 1.429 53.438 52.037 -0.046 0.000 0.628 568 A CB -0.399 18.615 19.000 0.024 0.000 0.816 568 A HN 0.138 nan 8.150 nan 0.000 0.444 569 K N -0.178 120.256 120.400 0.057 0.000 2.097 569 K HA -0.174 4.146 4.320 0.001 0.000 0.206 569 K C 1.338 177.937 176.600 -0.003 0.000 1.049 569 K CA 1.494 57.825 56.287 0.073 0.000 0.933 569 K CB -0.180 32.202 32.500 -0.197 0.000 0.717 569 K HN 0.380 nan 8.250 nan 0.000 0.442 570 N N 1.085 119.738 118.700 -0.079 0.000 2.453 570 N HA -0.102 4.638 4.740 0.001 0.000 0.183 570 N C 1.615 177.055 175.510 -0.116 0.000 1.041 570 N CA 0.784 53.782 53.050 -0.085 0.000 0.900 570 N CB -0.123 38.311 38.487 -0.088 0.000 0.961 570 N HN 0.292 nan 8.380 nan 0.000 0.443 571 I N -0.336 120.091 120.570 -0.238 0.000 2.335 571 I HA -0.265 3.905 4.170 0.001 0.000 0.251 571 I C 0.968 176.829 176.117 -0.426 0.000 1.129 571 I CA 1.303 62.339 61.300 -0.439 0.000 1.402 571 I CB -0.158 37.364 38.000 -0.798 0.000 1.069 571 I HN 0.011 nan 8.210 nan 0.000 0.424 572 F N 0.356 120.382 119.950 0.127 0.000 2.694 572 F HA 0.385 4.912 4.527 0.001 0.000 0.292 572 F C 1.502 177.390 175.800 0.147 0.000 1.121 572 F CA -0.420 57.691 58.000 0.185 0.000 1.352 572 F CB -0.568 38.606 39.000 0.290 0.000 1.107 572 F HN -0.212 nan 8.300 nan 0.000 0.597 573 A N 0.377 123.311 122.820 0.191 0.000 2.520 573 A HA 0.120 4.441 4.320 0.001 0.000 0.245 573 A C -0.672 176.985 177.584 0.121 0.000 1.072 573 A CA 0.154 52.255 52.037 0.106 0.000 0.761 573 A CB -0.650 18.341 19.000 -0.016 0.000 1.004 573 A HN 0.481 nan 8.150 nan 0.000 0.499 574 H N 3.724 122.820 119.070 0.043 0.000 2.476 574 H HA 0.508 5.065 4.556 0.001 0.000 0.328 574 H C -2.375 172.934 175.328 -0.033 0.000 1.073 574 H CA -1.656 54.386 56.048 -0.010 0.000 1.229 574 H CB 1.347 31.095 29.762 -0.023 0.000 1.432 574 H HN 0.472 nan 8.280 nan 0.000 0.477 575 P HA 0.023 nan 4.420 nan 0.000 0.271 575 P C -0.555 176.750 177.300 0.009 0.000 1.216 575 P CA -0.034 62.999 63.100 -0.112 0.000 0.776 575 P CB 0.720 32.316 31.700 -0.173 0.000 0.881 576 D N 0.906 121.334 120.400 0.046 0.000 2.792 576 D HA -0.167 4.473 4.640 0.001 0.000 0.231 576 D C 0.648 177.040 176.300 0.154 0.000 1.160 576 D CA 1.782 55.834 54.000 0.086 0.000 0.697 576 D CB -1.801 39.045 40.800 0.076 0.000 1.070 576 D HN 0.744 nan 8.370 nan 0.000 0.426 577 G N 0.003 108.920 108.800 0.194 0.000 4.677 577 G HA2 0.197 4.158 3.960 0.001 0.000 0.225 577 G HA3 0.197 4.158 3.960 0.001 0.000 0.225 577 G C 0.534 175.527 174.900 0.155 0.000 0.876 577 G CA -0.457 44.754 45.100 0.185 0.000 0.652 577 G HN -0.134 nan 8.290 nan 0.000 0.481 578 D N 0.674 121.150 120.400 0.127 0.000 2.190 578 D HA -0.131 4.510 4.640 0.001 0.000 0.200 578 D C 1.733 178.052 176.300 0.031 0.000 0.992 578 D CA 1.261 55.292 54.000 0.052 0.000 0.854 578 D CB 0.245 41.032 40.800 -0.022 0.000 0.936 578 D HN 0.570 nan 8.370 nan 0.000 0.462 579 H N -0.487 118.584 119.070 0.001 0.000 2.436 579 H HA 0.150 4.707 4.556 0.001 0.000 0.294 579 H C 2.131 177.468 175.328 0.015 0.000 1.048 579 H CA 0.507 56.543 56.048 -0.019 0.000 1.353 579 H CB 0.026 29.743 29.762 -0.075 0.000 1.414 579 H HN 0.142 nan 8.280 nan 0.000 0.536 580 I N -0.291 120.358 120.570 0.132 0.000 2.439 580 I HA -0.194 3.977 4.170 0.001 0.000 0.251 580 I C 1.919 178.149 176.117 0.188 0.000 1.139 580 I CA 1.007 62.363 61.300 0.093 0.000 1.438 580 I CB -0.159 37.730 38.000 -0.186 0.000 1.085 580 I HN 0.223 nan 8.210 nan 0.000 0.427 581 T N 1.601 116.274 114.554 0.199 0.000 2.759 581 T HA -0.152 4.198 4.350 0.001 0.000 0.269 581 T C 1.934 176.808 174.700 0.289 0.000 1.042 581 T CA 1.349 63.606 62.100 0.261 0.000 1.140 581 T CB -0.315 68.666 68.868 0.187 0.000 0.864 581 T HN 0.267 nan 8.240 nan 0.000 0.455 582 L N 0.270 121.615 121.223 0.203 0.000 2.046 582 L HA -0.056 4.285 4.340 0.001 0.000 0.208 582 L C 2.462 179.435 176.870 0.172 0.000 1.077 582 L CA 0.778 55.710 54.840 0.154 0.000 0.747 582 L CB -0.633 41.458 42.059 0.053 0.000 0.896 582 L HN 0.224 nan 8.230 nan 0.000 0.432 583 L N 0.245 121.582 121.223 0.190 0.000 2.046 583 L HA -0.185 4.156 4.340 0.001 0.000 0.208 583 L C 2.260 179.323 176.870 0.322 0.000 1.077 583 L CA 1.792 56.772 54.840 0.233 0.000 0.747 583 L CB -0.757 41.426 42.059 0.207 0.000 0.896 583 L HN 0.216 nan 8.230 nan 0.000 0.432 584 N N -0.100 118.803 118.700 0.339 0.000 2.084 584 N HA -0.151 4.590 4.740 0.001 0.000 0.190 584 N C 1.955 177.691 175.510 0.377 0.000 1.030 584 N CA 2.091 55.392 53.050 0.419 0.000 0.849 584 N CB -0.743 38.035 38.487 0.485 0.000 1.012 584 N HN 0.516 nan 8.380 nan 0.000 0.423 585 V N -0.988 119.042 119.914 0.194 0.000 2.427 585 V HA -0.182 3.939 4.120 0.001 0.000 0.248 585 V C 2.114 178.209 176.094 0.001 0.000 1.051 585 V CA 1.284 63.453 62.300 -0.217 0.000 1.048 585 V CB -1.257 30.288 31.823 -0.463 0.000 0.666 585 V HN 0.170 nan 8.190 nan 0.000 0.456 586 Y N 1.763 122.074 120.300 0.018 0.000 2.128 586 Y HA -0.271 4.280 4.550 0.001 0.000 0.284 586 Y C 2.732 178.735 175.900 0.172 0.000 1.154 586 Y CA 2.373 60.515 58.100 0.071 0.000 1.149 586 Y CB -0.731 37.757 38.460 0.047 0.000 0.976 586 Y HN 0.494 nan 8.280 nan 0.000 0.505 587 H N -0.126 119.006 119.070 0.103 0.000 2.352 587 H HA -0.129 4.427 4.556 0.001 0.000 0.299 587 H C 2.159 177.454 175.328 -0.054 0.000 1.097 587 H CA 1.826 57.893 56.048 0.032 0.000 1.311 587 H CB -0.449 29.417 29.762 0.173 0.000 1.377 587 H HN 0.411 nan 8.280 nan 0.000 0.504 588 A N -0.061 122.790 122.820 0.053 0.000 1.902 588 A HA -0.146 4.175 4.320 0.001 0.000 0.217 588 A C 2.317 179.647 177.584 -0.424 0.000 1.181 588 A CA 1.369 53.403 52.037 -0.005 0.000 0.623 588 A CB -1.208 18.113 19.000 0.535 0.000 0.818 588 A HN 0.578 nan 8.150 nan 0.000 0.443 589 F N 0.601 120.261 119.950 -0.482 0.000 2.161 589 F HA -0.116 4.412 4.527 0.001 0.000 0.300 589 F C 1.680 177.090 175.800 -0.650 0.000 1.089 589 F CA 1.832 59.456 58.000 -0.628 0.000 1.282 589 F CB 0.137 38.929 39.000 -0.346 0.000 1.010 589 F HN 0.012 nan 8.300 nan 0.000 0.485 590 K N 0.955 120.949 120.400 -0.676 0.000 2.444 590 K HA 0.112 4.432 4.320 0.001 0.000 0.193 590 K C 0.775 177.051 176.600 -0.540 0.000 1.024 590 K CA 0.597 56.492 56.287 -0.652 0.000 1.077 590 K CB -0.718 31.443 32.500 -0.566 0.000 0.833 590 K HN 0.365 nan 8.250 nan 0.000 0.517 591 S N 0.807 116.167 115.700 -0.566 0.000 2.585 591 S HA 0.090 4.561 4.470 0.001 0.000 0.273 591 S C 0.710 175.114 174.600 -0.326 0.000 1.339 591 S CA -0.522 57.416 58.200 -0.437 0.000 1.028 591 S CB 1.172 64.135 63.200 -0.394 0.000 0.906 591 S HN -0.008 nan 8.310 nan 0.000 0.528 592 D N 1.698 121.977 120.400 -0.201 0.000 2.123 592 D HA -0.106 4.535 4.640 0.001 0.000 0.196 592 D C 1.789 178.062 176.300 -0.045 0.000 0.992 592 D CA 1.799 55.751 54.000 -0.079 0.000 0.833 592 D CB -0.414 40.360 40.800 -0.043 0.000 0.954 592 D HN 0.790 nan 8.370 nan 0.000 0.455 593 E N 0.937 121.081 120.200 -0.093 0.000 2.058 593 E HA -0.132 4.219 4.350 0.001 0.000 0.194 593 E C 2.075 178.596 176.600 -0.132 0.000 0.997 593 E CA 1.413 57.785 56.400 -0.046 0.000 0.801 593 E CB -0.384 29.314 29.700 -0.003 0.000 0.746 593 E HN 0.270 nan 8.360 nan 0.000 0.450 594 A N 0.208 122.740 122.820 -0.480 0.000 1.933 594 A HA -0.196 4.124 4.320 0.001 0.000 0.218 594 A C 2.155 179.511 177.584 -0.380 0.000 1.175 594 A CA 1.543 53.008 52.037 -0.953 0.000 0.628 594 A CB -0.779 17.124 19.000 -1.828 0.000 0.814 594 A HN 0.432 nan 8.150 nan 0.000 0.444 595 Y N 0.760 120.838 120.300 -0.370 0.000 2.163 595 Y HA -0.132 4.418 4.550 0.001 0.000 0.288 595 Y C 2.121 177.974 175.900 -0.078 0.000 1.136 595 Y CA 2.133 60.097 58.100 -0.228 0.000 1.147 595 Y CB -0.444 37.878 38.460 -0.230 0.000 0.987 595 Y HN 0.437 nan 8.280 nan 0.000 0.509 596 E N -0.807 119.264 120.200 -0.215 0.000 2.077 596 E HA -0.271 4.079 4.350 0.001 0.000 0.193 596 E C 1.955 178.501 176.600 -0.090 0.000 0.989 596 E CA 1.480 57.745 56.400 -0.226 0.000 0.800 596 E CB -0.555 29.119 29.700 -0.044 0.000 0.746 596 E HN 0.665 nan 8.360 nan 0.000 0.452 597 Y N 0.572 120.818 120.300 -0.090 0.000 2.298 597 Y HA -0.193 4.358 4.550 0.001 0.000 0.287 597 Y C 0.769 176.673 175.900 0.008 0.000 1.164 597 Y CA 1.288 59.404 58.100 0.027 0.000 1.229 597 Y CB 0.217 38.794 38.460 0.195 0.000 0.977 597 Y HN 0.074 nan 8.280 nan 0.000 0.538 598 G N 0.116 109.000 108.800 0.140 0.000 3.251 598 G HA2 -0.222 3.739 3.960 0.001 0.000 0.680 598 G HA3 -0.222 3.739 3.960 0.001 0.000 0.680 598 G C 0.026 175.063 174.900 0.229 0.000 1.129 598 G CA -0.141 45.027 45.100 0.114 0.000 0.994 598 G HN 0.416 nan 8.290 nan 0.000 0.450 599 I N 1.798 122.412 120.570 0.074 0.000 2.286 599 I HA -0.075 4.096 4.170 0.001 0.000 0.248 599 I C 2.291 178.473 176.117 0.109 0.000 1.115 599 I CA 2.051 63.372 61.300 0.035 0.000 1.392 599 I CB -0.117 37.808 38.000 -0.126 0.000 1.065 599 I HN 0.721 nan 8.210 nan 0.000 0.418 600 H N 0.220 119.335 119.070 0.074 0.000 2.395 600 H HA -0.116 4.441 4.556 0.001 0.000 0.299 600 H C 2.094 177.511 175.328 0.149 0.000 1.070 600 H CA 1.474 57.526 56.048 0.008 0.000 1.356 600 H CB -0.107 29.564 29.762 -0.153 0.000 1.401 600 H HN 0.383 nan 8.280 nan 0.000 0.524 601 K N 0.416 121.008 120.400 0.321 0.000 2.103 601 K HA -0.153 4.168 4.320 0.001 0.000 0.204 601 K C 2.199 179.041 176.600 0.403 0.000 1.052 601 K CA 0.772 57.261 56.287 0.335 0.000 0.945 601 K CB -0.098 32.607 32.500 0.342 0.000 0.722 601 K HN 0.184 nan 8.250 nan 0.000 0.443 602 W N 1.254 122.675 121.300 0.201 0.000 2.335 602 W HA -0.290 4.370 4.660 0.001 0.000 0.311 602 W C 1.984 178.592 176.519 0.149 0.000 1.213 602 W CA 1.602 58.866 57.345 -0.134 0.000 1.274 602 W CB -0.503 28.791 29.460 -0.277 0.000 1.148 602 W HN 0.108 nan 8.180 nan 0.000 0.498 603 C N 0.298 119.834 119.300 0.394 0.000 2.436 603 C HA -0.144 4.317 4.460 0.001 0.000 0.277 603 C C 2.721 177.747 174.990 0.060 0.000 1.241 603 C CA 1.313 60.470 59.018 0.232 0.000 1.721 603 C CB -1.491 26.494 27.740 0.409 0.000 2.043 603 C HN 0.341 nan 8.230 nan 0.000 0.472 604 R N 0.830 121.378 120.500 0.081 0.000 2.096 604 R HA -0.164 4.177 4.340 0.001 0.000 0.240 604 R C 1.626 177.817 176.300 -0.182 0.000 1.139 604 R CA 1.990 58.065 56.100 -0.042 0.000 0.952 604 R CB -0.498 29.803 30.300 0.001 0.000 0.854 604 R HN 0.552 nan 8.270 nan 0.000 0.436 605 D N -0.877 119.449 120.400 -0.122 0.000 2.264 605 D HA -0.086 4.555 4.640 0.001 0.000 0.208 605 D C 0.896 177.008 176.300 -0.314 0.000 0.966 605 D CA 1.248 55.119 54.000 -0.214 0.000 0.864 605 D CB -0.058 40.666 40.800 -0.128 0.000 0.933 605 D HN 0.410 nan 8.370 nan 0.000 0.499 606 H N -1.654 117.286 119.070 -0.218 0.000 2.520 606 H HA 0.169 4.725 4.556 0.001 0.000 0.284 606 H C -0.397 175.078 175.328 0.245 0.000 1.037 606 H CA -0.215 55.788 56.048 -0.075 0.000 1.168 606 H CB -0.210 29.246 29.762 -0.510 0.000 1.497 606 H HN 0.007 nan 8.280 nan 0.000 0.547 607 Y N -0.161 120.153 120.300 0.023 0.000 3.389 607 Y HA -0.246 4.305 4.550 0.001 0.000 0.213 607 Y C -0.595 175.349 175.900 0.072 0.000 1.272 607 Y CA -0.183 57.956 58.100 0.064 0.000 1.444 607 Y CB -2.043 36.474 38.460 0.096 0.000 1.445 607 Y HN 0.197 nan 8.280 nan 0.000 0.583 608 L N 0.480 121.752 121.223 0.082 0.000 2.346 608 L HA 0.433 4.773 4.340 0.001 0.000 0.274 608 L C 0.390 177.254 176.870 -0.010 0.000 1.007 608 L CA -0.976 53.841 54.840 -0.038 0.000 0.818 608 L CB 1.556 43.553 42.059 -0.104 0.000 1.284 608 L HN 0.192 nan 8.230 nan 0.000 0.424 609 N N 1.379 120.036 118.700 -0.072 0.000 2.415 609 N HA -0.034 4.707 4.740 0.001 0.000 0.246 609 N C 0.509 176.003 175.510 -0.027 0.000 1.078 609 N CA 0.065 53.103 53.050 -0.019 0.000 0.942 609 N CB 0.642 39.095 38.487 -0.056 0.000 1.140 609 N HN 0.609 nan 8.380 nan 0.000 0.501 610 Y N 5.103 125.413 120.300 0.016 0.000 2.207 610 Y HA -0.179 4.372 4.550 0.001 0.000 0.287 610 Y C 2.446 178.358 175.900 0.021 0.000 1.156 610 Y CA 1.802 59.939 58.100 0.062 0.000 1.182 610 Y CB 0.057 38.630 38.460 0.188 0.000 0.979 610 Y HN 0.617 nan 8.280 nan 0.000 0.521 611 R N -0.398 120.140 120.500 0.063 0.000 2.073 611 R HA -0.152 4.188 4.340 0.001 0.000 0.234 611 R C 2.282 178.495 176.300 -0.146 0.000 1.134 611 R CA 1.889 57.997 56.100 0.013 0.000 0.952 611 R CB -0.435 29.947 30.300 0.137 0.000 0.850 611 R HN 0.323 nan 8.270 nan 0.000 0.433 612 S N 0.906 116.509 115.700 -0.161 0.000 2.368 612 S HA -0.085 4.386 4.470 0.001 0.000 0.224 612 S C 1.894 176.300 174.600 -0.323 0.000 1.029 612 S CA 1.113 59.194 58.200 -0.199 0.000 0.988 612 S CB -0.154 62.937 63.200 -0.183 0.000 0.838 612 S HN 0.275 nan 8.310 nan 0.000 0.462 613 L N 0.941 121.849 121.223 -0.526 0.000 2.093 613 L HA -0.064 4.277 4.340 0.001 0.000 0.208 613 L C 2.699 179.133 176.870 -0.726 0.000 1.085 613 L CA 1.166 55.502 54.840 -0.840 0.000 0.755 613 L CB -0.465 40.642 42.059 -1.587 0.000 0.904 613 L HN 0.330 nan 8.230 nan 0.000 0.435 614 S N -0.366 114.952 115.700 -0.637 0.000 2.406 614 S HA -0.115 4.355 4.470 0.001 0.000 0.228 614 S C 2.121 176.636 174.600 -0.142 0.000 1.020 614 S CA 1.045 59.057 58.200 -0.313 0.000 0.965 614 S CB -0.026 62.891 63.200 -0.472 0.000 0.798 614 S HN 0.409 nan 8.310 nan 0.000 0.488 615 A N 1.376 124.096 122.820 -0.167 0.000 1.902 615 A HA 0.234 4.554 4.320 0.001 0.000 0.217 615 A C 2.472 179.978 177.584 -0.130 0.000 1.181 615 A CA 1.751 53.728 52.037 -0.099 0.000 0.623 615 A CB -1.375 17.581 19.000 -0.073 0.000 0.818 615 A HN 0.758 nan 8.150 nan 0.000 0.443 616 A N -0.147 122.573 122.820 -0.167 0.000 1.902 616 A HA -0.202 4.118 4.320 0.001 0.000 0.217 616 A C 1.888 179.384 177.584 -0.147 0.000 1.181 616 A CA 2.148 54.072 52.037 -0.188 0.000 0.623 616 A CB -0.634 18.245 19.000 -0.202 0.000 0.818 616 A HN 0.497 nan 8.150 nan 0.000 0.443 617 D N -0.157 120.253 120.400 0.017 0.000 2.097 617 D HA -0.182 4.459 4.640 0.001 0.000 0.195 617 D C 1.819 178.140 176.300 0.035 0.000 0.989 617 D CA 1.596 55.705 54.000 0.181 0.000 0.827 617 D CB -0.322 40.667 40.800 0.315 0.000 0.966 617 D HN 0.473 nan 8.370 nan 0.000 0.456 618 N N -0.161 118.531 118.700 -0.013 0.000 2.084 618 N HA -0.108 4.632 4.740 0.001 0.000 0.190 618 N C 1.968 177.386 175.510 -0.154 0.000 1.030 618 N CA 1.257 54.285 53.050 -0.037 0.000 0.849 618 N CB -0.344 38.140 38.487 -0.006 0.000 1.012 618 N HN 0.244 nan 8.380 nan 0.000 0.423 619 I N 0.132 120.517 120.570 -0.308 0.000 2.208 619 I HA -0.265 3.905 4.170 0.001 0.000 0.245 619 I C 2.698 178.584 176.117 -0.385 0.000 1.097 619 I CA 0.984 61.898 61.300 -0.644 0.000 1.363 619 I CB -0.298 37.273 38.000 -0.715 0.000 1.051 619 I HN 0.249 nan 8.210 nan 0.000 0.413 620 R N 0.537 120.891 120.500 -0.244 0.000 2.073 620 R HA -0.162 4.178 4.340 0.001 0.000 0.234 620 R C 2.451 178.713 176.300 -0.064 0.000 1.134 620 R CA 1.943 57.945 56.100 -0.163 0.000 0.952 620 R CB -0.134 30.038 30.300 -0.215 0.000 0.850 620 R HN 0.231 nan 8.270 nan 0.000 0.433 621 S N 0.716 116.396 115.700 -0.034 0.000 2.370 621 S HA -0.150 4.320 4.470 0.001 0.000 0.226 621 S C 1.836 176.449 174.600 0.021 0.000 1.033 621 S CA 1.146 59.353 58.200 0.012 0.000 1.011 621 S CB -0.117 63.098 63.200 0.026 0.000 0.852 621 S HN 0.406 nan 8.310 nan 0.000 0.457 622 Q N 0.632 120.432 119.800 -0.000 0.000 2.079 622 Q HA 0.027 4.368 4.340 0.001 0.000 0.200 622 Q C 2.313 178.383 176.000 0.116 0.000 0.974 622 Q CA 0.888 56.736 55.803 0.074 0.000 0.840 622 Q CB -0.475 28.344 28.738 0.135 0.000 0.898 622 Q HN 0.508 nan 8.270 nan 0.000 0.430 623 L N 0.662 121.944 121.223 0.097 0.000 2.083 623 L HA -0.183 4.157 4.340 0.001 0.000 0.209 623 L C 2.524 179.516 176.870 0.204 0.000 1.083 623 L CA 1.158 56.126 54.840 0.212 0.000 0.752 623 L CB -0.452 41.714 42.059 0.178 0.000 0.899 623 L HN 0.318 nan 8.230 nan 0.000 0.433 624 E N 0.581 120.851 120.200 0.117 0.000 2.077 624 E HA -0.242 4.108 4.350 0.001 0.000 0.193 624 E C 2.350 179.009 176.600 0.097 0.000 0.989 624 E CA 1.168 57.632 56.400 0.106 0.000 0.800 624 E CB 0.103 29.842 29.700 0.066 0.000 0.746 624 E HN 0.372 nan 8.360 nan 0.000 0.452 625 R N 0.035 120.578 120.500 0.072 0.000 2.096 625 R HA -0.113 4.228 4.340 0.001 0.000 0.235 625 R C 2.589 178.905 176.300 0.027 0.000 1.127 625 R CA 1.235 57.358 56.100 0.039 0.000 0.968 625 R CB -0.273 30.044 30.300 0.029 0.000 0.861 625 R HN 0.275 nan 8.270 nan 0.000 0.440 626 L N 0.050 121.307 121.223 0.056 0.000 2.046 626 L HA -0.180 4.160 4.340 0.001 0.000 0.208 626 L C 2.516 179.497 176.870 0.185 0.000 1.077 626 L CA 1.329 56.181 54.840 0.020 0.000 0.747 626 L CB -0.338 41.592 42.059 -0.214 0.000 0.896 626 L HN 0.230 nan 8.230 nan 0.000 0.432 627 M N -0.502 119.274 119.600 0.294 0.000 2.117 627 M HA -0.184 4.296 4.480 0.001 0.000 0.262 627 M C 2.012 178.419 176.300 0.178 0.000 1.065 627 M CA 1.525 57.028 55.300 0.338 0.000 1.114 627 M CB -0.453 32.315 32.600 0.281 0.000 1.361 627 M HN 0.281 nan 8.290 nan 0.000 0.408 628 N N 0.163 118.914 118.700 0.085 0.000 2.106 628 N HA -0.140 4.601 4.740 0.001 0.000 0.188 628 N C 1.658 177.143 175.510 -0.042 0.000 1.029 628 N CA 1.177 54.237 53.050 0.016 0.000 0.848 628 N CB -0.505 37.979 38.487 -0.006 0.000 1.007 628 N HN 0.325 nan 8.380 nan 0.000 0.423 629 R N -0.128 120.301 120.500 -0.118 0.000 2.103 629 R HA -0.142 4.198 4.340 0.001 0.000 0.242 629 R C 0.798 176.846 176.300 -0.419 0.000 1.142 629 R CA 1.530 57.433 56.100 -0.328 0.000 0.960 629 R CB -0.153 29.844 30.300 -0.504 0.000 0.858 629 R HN 0.275 nan 8.270 nan 0.000 0.439 630 Y N -0.010 120.324 120.300 0.057 0.000 2.524 630 Y HA 0.262 4.812 4.550 0.001 0.000 0.266 630 Y C -0.196 175.765 175.900 0.100 0.000 1.180 630 Y CA -0.225 57.929 58.100 0.089 0.000 1.244 630 Y CB -0.035 38.504 38.460 0.131 0.000 1.125 630 Y HN 0.177 nan 8.280 nan 0.000 0.524 631 N N 0.090 118.874 118.700 0.139 0.000 2.758 631 N HA -0.203 4.537 4.740 0.001 0.000 0.248 631 N C -1.350 174.195 175.510 0.058 0.000 1.076 631 N CA 0.320 53.414 53.050 0.073 0.000 0.696 631 N CB -1.544 36.986 38.487 0.071 0.000 0.979 631 N HN 0.270 nan 8.380 nan 0.000 0.550 632 L N 0.742 122.045 121.223 0.133 0.000 2.268 632 L HA 0.186 4.526 4.340 0.001 0.000 0.289 632 L C 1.052 177.908 176.870 -0.024 0.000 1.064 632 L CA -0.280 54.635 54.840 0.126 0.000 0.824 632 L CB 0.688 42.929 42.059 0.303 0.000 1.202 632 L HN 0.259 nan 8.230 nan 0.000 0.433 633 E N 3.969 123.968 120.200 -0.335 0.000 2.502 633 E HA 0.036 4.387 4.350 0.001 0.000 0.261 633 E C -0.854 175.715 176.600 -0.051 0.000 0.974 633 E CA -0.239 56.005 56.400 -0.261 0.000 0.936 633 E CB 0.677 30.080 29.700 -0.496 0.000 0.926 633 E HN 0.490 nan 8.360 nan 0.000 0.459 634 L N 5.618 126.838 121.223 -0.005 0.000 2.260 634 L HA 0.256 4.596 4.340 0.001 0.000 0.289 634 L C -0.046 176.848 176.870 0.041 0.000 1.057 634 L CA -0.562 54.305 54.840 0.045 0.000 0.811 634 L CB 0.364 42.452 42.059 0.047 0.000 1.184 634 L HN 0.597 nan 8.230 nan 0.000 0.429 635 N N 1.427 120.168 118.700 0.067 0.000 2.831 635 N HA 0.675 5.415 4.740 0.001 0.000 0.276 635 N C -0.741 174.807 175.510 0.063 0.000 1.416 635 N CA -0.695 52.391 53.050 0.060 0.000 0.799 635 N CB 2.211 40.736 38.487 0.064 0.000 1.554 635 N HN 0.302 nan 8.380 nan 0.000 0.541 636 T N -2.218 112.371 114.554 0.058 0.000 2.749 636 T HA 0.587 4.938 4.350 0.001 0.000 0.310 636 T C -1.795 172.947 174.700 0.070 0.000 1.496 636 T CA -0.408 61.730 62.100 0.063 0.000 1.006 636 T CB 0.893 69.818 68.868 0.094 0.000 1.457 636 T HN 0.591 nan 8.240 nan 0.000 0.497 637 T N 2.328 116.946 114.554 0.106 0.000 2.841 637 T HA 0.380 4.730 4.350 0.001 0.000 0.283 637 T C -0.855 173.952 174.700 0.178 0.000 1.000 637 T CA -0.599 61.572 62.100 0.118 0.000 0.977 637 T CB 1.430 70.351 68.868 0.089 0.000 0.979 637 T HN 0.679 nan 8.240 nan 0.000 0.446 638 D N 1.239 121.699 120.400 0.099 0.000 2.658 638 D HA -0.130 4.511 4.640 0.001 0.000 0.230 638 D C 0.648 176.953 176.300 0.008 0.000 1.118 638 D CA 0.550 54.589 54.000 0.065 0.000 0.848 638 D CB 0.439 41.267 40.800 0.046 0.000 1.160 638 D HN 0.697 nan 8.370 nan 0.000 0.497 639 Y N 3.933 124.081 120.300 -0.253 0.000 2.315 639 Y HA -0.220 4.330 4.550 0.001 0.000 0.288 639 Y C 1.859 177.505 175.900 -0.422 0.000 1.154 639 Y CA 1.315 59.009 58.100 -0.677 0.000 1.229 639 Y CB 0.390 38.498 38.460 -0.588 0.000 0.980 639 Y HN 0.438 nan 8.280 nan 0.000 0.540 640 E N 0.239 120.464 120.200 0.043 0.000 2.204 640 E HA -0.129 4.222 4.350 0.001 0.000 0.195 640 E C 1.145 177.743 176.600 -0.003 0.000 0.990 640 E CA 0.781 57.218 56.400 0.063 0.000 0.821 640 E CB -0.648 29.092 29.700 0.066 0.000 0.750 640 E HN 0.251 nan 8.360 nan 0.000 0.477 641 S N 1.854 117.540 115.700 -0.024 0.000 2.552 641 S HA 0.004 4.474 4.470 0.001 0.000 0.289 641 S C -1.592 173.021 174.600 0.021 0.000 1.304 641 S CA -1.178 57.030 58.200 0.013 0.000 1.063 641 S CB 0.861 64.082 63.200 0.035 0.000 0.848 641 S HN -0.176 nan 8.310 nan 0.000 0.499 642 P HA -0.068 nan 4.420 nan 0.000 0.220 642 P C 0.366 177.723 177.300 0.094 0.000 1.148 642 P CA 1.171 64.319 63.100 0.079 0.000 0.803 642 P CB -0.030 31.716 31.700 0.075 0.000 0.782 643 K N -2.356 118.078 120.400 0.058 0.000 2.498 643 K HA 0.091 4.412 4.320 0.001 0.000 0.207 643 K C 1.251 177.830 176.600 -0.035 0.000 1.033 643 K CA -0.434 55.872 56.287 0.032 0.000 1.138 643 K CB -0.626 31.877 32.500 0.004 0.000 0.860 643 K HN -0.005 nan 8.250 nan 0.000 0.490 644 Y N 1.108 121.279 120.300 -0.216 0.000 2.097 644 Y HA -0.184 4.366 4.550 0.001 0.000 0.282 644 Y C 1.147 176.766 175.900 -0.468 0.000 1.152 644 Y CA 1.741 59.581 58.100 -0.432 0.000 1.136 644 Y CB -0.053 37.944 38.460 -0.771 0.000 0.975 644 Y HN 0.043 nan 8.280 nan 0.000 0.498 645 F N -0.032 119.899 119.950 -0.032 0.000 2.512 645 F HA -0.041 4.487 4.527 0.001 0.000 0.296 645 F C 2.011 177.732 175.800 -0.132 0.000 1.110 645 F CA 0.837 58.769 58.000 -0.114 0.000 1.446 645 F CB -0.504 38.506 39.000 0.016 0.000 1.092 645 F HN 0.032 nan 8.300 nan 0.000 0.554 646 D N 0.322 120.744 120.400 0.038 0.000 2.097 646 D HA -0.158 4.482 4.640 0.001 0.000 0.195 646 D C 1.898 177.943 176.300 -0.426 0.000 0.989 646 D CA 1.144 55.046 54.000 -0.163 0.000 0.827 646 D CB -0.510 40.213 40.800 -0.128 0.000 0.966 646 D HN 0.121 nan 8.370 nan 0.000 0.456 647 N N 0.687 119.190 118.700 -0.328 0.000 2.061 647 N HA -0.135 4.605 4.740 0.001 0.000 0.193 647 N C 2.094 177.373 175.510 -0.385 0.000 1.030 647 N CA 0.628 53.488 53.050 -0.317 0.000 0.856 647 N CB -0.465 37.883 38.487 -0.233 0.000 1.023 647 N HN 0.281 nan 8.380 nan 0.000 0.424 648 I N 0.769 121.124 120.570 -0.358 0.000 2.226 648 I HA -0.216 3.955 4.170 0.001 0.000 0.245 648 I C 2.405 178.347 176.117 -0.292 0.000 1.100 648 I CA 0.971 62.089 61.300 -0.304 0.000 1.374 648 I CB -0.120 37.722 38.000 -0.263 0.000 1.057 648 I HN 0.084 nan 8.210 nan 0.000 0.413 649 R N 0.703 121.056 120.500 -0.246 0.000 2.096 649 R HA -0.160 4.181 4.340 0.001 0.000 0.235 649 R C 2.298 178.407 176.300 -0.318 0.000 1.127 649 R CA 1.330 57.319 56.100 -0.185 0.000 0.968 649 R CB -0.142 30.182 30.300 0.039 0.000 0.861 649 R HN 0.331 nan 8.270 nan 0.000 0.440 650 K N -0.023 120.017 120.400 -0.599 0.000 2.057 650 K HA -0.058 4.263 4.320 0.001 0.000 0.206 650 K C 2.119 178.061 176.600 -1.095 0.000 1.050 650 K CA 1.253 57.042 56.287 -0.829 0.000 0.935 650 K CB -0.090 31.770 32.500 -1.067 0.000 0.715 650 K HN 0.129 nan 8.250 nan 0.000 0.439 651 A N 1.465 123.585 122.820 -1.168 0.000 1.902 651 A HA -0.167 4.154 4.320 0.001 0.000 0.217 651 A C 2.113 179.485 177.584 -0.354 0.000 1.181 651 A CA 1.259 52.799 52.037 -0.827 0.000 0.623 651 A CB -0.546 18.224 19.000 -0.385 0.000 0.818 651 A HN 0.273 nan 8.150 nan 0.000 0.443 652 L N -0.228 120.820 121.223 -0.290 0.000 2.046 652 L HA -0.056 4.285 4.340 0.001 0.000 0.208 652 L C 2.600 179.444 176.870 -0.043 0.000 1.077 652 L CA 2.263 57.007 54.840 -0.161 0.000 0.747 652 L CB -0.705 41.177 42.059 -0.296 0.000 0.896 652 L HN 0.321 nan 8.230 nan 0.000 0.432 653 A N -0.584 122.176 122.820 -0.100 0.000 1.940 653 A HA -0.232 4.089 4.320 0.001 0.000 0.219 653 A C 2.494 180.169 177.584 0.151 0.000 1.176 653 A CA 2.047 54.106 52.037 0.038 0.000 0.631 653 A CB -1.217 17.782 19.000 -0.001 0.000 0.814 653 A HN 0.706 nan 8.150 nan 0.000 0.446 654 S N -0.740 114.981 115.700 0.035 0.000 2.419 654 S HA 0.019 4.489 4.470 0.001 0.000 0.233 654 S C 1.830 176.574 174.600 0.240 0.000 1.016 654 S CA 1.466 59.772 58.200 0.177 0.000 0.974 654 S CB -0.742 62.563 63.200 0.175 0.000 0.786 654 S HN 0.664 nan 8.310 nan 0.000 0.492 655 G N -0.449 108.418 108.800 0.111 0.000 2.510 655 G HA2 0.257 4.218 3.960 0.001 0.000 0.212 655 G HA3 0.257 4.218 3.960 0.001 0.000 0.212 655 G C 0.681 175.325 174.900 -0.426 0.000 1.151 655 G CA -0.101 44.938 45.100 -0.102 0.000 0.817 655 G HN 0.553 nan 8.290 nan 0.000 0.534 656 F N 1.265 121.109 119.950 -0.177 0.000 2.708 656 F HA 0.253 4.781 4.527 0.001 0.000 0.300 656 F C 1.469 177.110 175.800 -0.266 0.000 1.118 656 F CA -1.209 56.624 58.000 -0.278 0.000 1.307 656 F CB 0.150 39.026 39.000 -0.208 0.000 0.986 656 F HN 0.194 nan 8.300 nan 0.000 0.522 657 F N -1.440 118.506 119.950 -0.008 0.000 2.373 657 F HA -0.150 4.378 4.527 0.001 0.000 0.300 657 F C 1.525 177.299 175.800 -0.043 0.000 1.080 657 F CA 1.099 59.134 58.000 0.059 0.000 1.417 657 F CB -1.077 38.002 39.000 0.132 0.000 1.070 657 F HN 0.032 nan 8.300 nan 0.000 0.546 658 M N -0.059 119.132 119.600 -0.682 0.000 2.495 658 M HA 0.110 4.590 4.480 0.001 0.000 0.237 658 M C 0.176 176.347 176.300 -0.215 0.000 1.131 658 M CA 0.554 55.503 55.300 -0.586 0.000 1.032 658 M CB 0.043 32.115 32.600 -0.879 0.000 1.513 658 M HN 0.178 nan 8.290 nan 0.000 0.488 659 Q N 1.275 120.940 119.800 -0.225 0.000 2.815 659 Q HA 0.399 4.739 4.340 0.001 0.000 0.329 659 Q C -1.235 174.468 176.000 -0.494 0.000 1.037 659 Q CA -0.255 55.242 55.803 -0.510 0.000 1.002 659 Q CB 1.340 29.735 28.738 -0.571 0.000 1.274 659 Q HN 0.113 nan 8.270 nan 0.000 0.452 660 V N 0.276 120.275 119.914 0.142 0.000 2.914 660 V HA 0.897 5.017 4.120 0.001 0.000 0.314 660 V C -0.737 175.742 176.094 0.641 0.000 1.084 660 V CA -0.778 61.777 62.300 0.424 0.000 0.963 660 V CB 2.059 34.207 31.823 0.541 0.000 1.025 660 V HN 0.509 nan 8.190 nan 0.000 0.432 661 A N 3.214 126.372 122.820 0.563 0.000 2.515 661 A HA 0.832 5.153 4.320 0.001 0.000 0.298 661 A C -1.100 176.655 177.584 0.285 0.000 1.059 661 A CA -0.699 51.582 52.037 0.406 0.000 0.698 661 A CB 2.020 21.195 19.000 0.292 0.000 1.289 661 A HN 0.700 nan 8.150 nan 0.000 0.404 662 K N 1.345 121.752 120.400 0.012 0.000 2.324 662 K HA 0.437 4.758 4.320 0.001 0.000 0.253 662 K C -0.592 175.737 176.600 -0.452 0.000 0.932 662 K CA -0.692 55.267 56.287 -0.546 0.000 0.799 662 K CB 1.469 33.126 32.500 -1.405 0.000 1.154 662 K HN 0.650 nan 8.250 nan 0.000 0.425 663 K N 3.974 123.917 120.400 -0.761 0.000 2.402 663 K HA -0.007 4.313 4.320 0.001 0.000 0.279 663 K C -0.070 176.151 176.600 -0.631 0.000 1.082 663 K CA 0.309 55.891 56.287 -1.175 0.000 1.080 663 K CB 0.235 32.191 32.500 -0.906 0.000 0.899 663 K HN 0.500 nan 8.250 nan 0.000 0.469 670 Y N -1.061 119.179 120.300 -0.101 0.000 2.570 670 Y HA 0.768 5.319 4.550 0.001 0.000 0.345 670 Y C 0.009 175.854 175.900 -0.092 0.000 1.014 670 Y CA -0.748 57.287 58.100 -0.109 0.000 1.063 670 Y CB 2.688 41.089 38.460 -0.098 0.000 1.272 670 Y HN 0.601 nan 8.280 nan 0.000 0.477 671 I N 1.815 122.418 120.570 0.054 0.000 2.533 671 I HA 0.432 4.602 4.170 0.001 0.000 0.290 671 I C -0.543 175.660 176.117 0.143 0.000 1.056 671 I CA -0.394 60.943 61.300 0.062 0.000 1.057 671 I CB 1.646 39.656 38.000 0.017 0.000 1.240 671 I HN 0.709 nan 8.210 nan 0.000 0.423 672 T N 3.744 118.414 114.554 0.193 0.000 2.869 672 T HA 0.259 4.609 4.350 0.001 0.000 0.295 672 T C 1.251 176.147 174.700 0.326 0.000 0.987 672 T CA -0.668 61.620 62.100 0.312 0.000 1.109 672 T CB 1.578 70.663 68.868 0.361 0.000 0.932 672 T HN 0.414 nan 8.240 nan 0.000 0.518 673 V N 1.919 122.091 119.914 0.429 0.000 2.233 673 V HA -0.085 4.035 4.120 0.001 0.000 0.247 673 V C 1.788 178.047 176.094 0.275 0.000 1.050 673 V CA 1.599 64.173 62.300 0.457 0.000 1.010 673 V CB -0.613 31.583 31.823 0.622 0.000 0.637 673 V HN 0.967 nan 8.190 nan 0.000 0.444 674 K N 0.644 121.204 120.400 0.267 0.000 2.402 674 K HA -0.060 4.261 4.320 0.001 0.000 0.285 674 K C 0.270 176.936 176.600 0.111 0.000 1.054 674 K CA 0.486 56.866 56.287 0.156 0.000 1.001 674 K CB -0.031 32.563 32.500 0.157 0.000 0.946 674 K HN 0.422 nan 8.250 nan 0.000 0.473 675 D N 2.656 123.079 120.400 0.039 0.000 2.946 675 D HA -0.217 4.424 4.640 0.001 0.000 0.202 675 D C -0.821 175.513 176.300 0.056 0.000 1.068 675 D CA 1.361 55.376 54.000 0.025 0.000 1.011 675 D CB -1.314 39.487 40.800 0.003 0.000 1.105 675 D HN 0.977 nan 8.370 nan 0.000 0.425 676 N N 0.413 119.174 118.700 0.101 0.000 2.667 676 N HA -0.229 4.512 4.740 0.001 0.000 0.263 676 N C -0.813 174.753 175.510 0.094 0.000 1.038 676 N CA 0.872 53.988 53.050 0.109 0.000 0.749 676 N CB -0.145 38.393 38.487 0.085 0.000 0.892 676 N HN 0.316 nan 8.380 nan 0.000 0.546 677 Q N 0.895 120.773 119.800 0.129 0.000 2.271 677 Q HA 0.218 4.558 4.340 0.001 0.000 0.258 677 Q C -0.297 175.761 176.000 0.098 0.000 0.936 677 Q CA -0.373 55.509 55.803 0.132 0.000 0.909 677 Q CB 1.142 30.025 28.738 0.242 0.000 1.253 677 Q HN 0.270 nan 8.270 nan 0.000 0.440 678 D N 2.151 122.579 120.400 0.045 0.000 2.390 678 D HA 0.252 4.893 4.640 0.001 0.000 0.249 678 D C 0.312 176.581 176.300 -0.051 0.000 1.144 678 D CA 0.132 54.131 54.000 -0.003 0.000 0.880 678 D CB 1.134 41.919 40.800 -0.026 0.000 1.182 678 D HN 0.298 nan 8.370 nan 0.000 0.451 679 V N -1.006 118.860 119.914 -0.080 0.000 3.159 679 V HA 0.616 4.736 4.120 0.001 0.000 0.308 679 V C -0.880 175.137 176.094 -0.129 0.000 1.190 679 V CA -1.140 61.040 62.300 -0.200 0.000 1.037 679 V CB 1.799 33.420 31.823 -0.336 0.000 1.060 679 V HN 0.334 nan 8.190 nan 0.000 0.437 680 L N 2.739 123.839 121.223 -0.206 0.000 2.334 680 L HA 0.587 4.928 4.340 0.001 0.000 0.276 680 L C -0.256 176.614 176.870 -0.000 0.000 1.014 680 L CA -0.971 53.831 54.840 -0.063 0.000 0.815 680 L CB 1.711 43.711 42.059 -0.099 0.000 1.268 680 L HN 0.495 nan 8.230 nan 0.000 0.428 681 I N 2.393 122.966 120.570 0.006 0.000 2.741 681 I HA -0.076 4.094 4.170 0.001 0.000 0.288 681 I C 0.918 177.096 176.117 0.101 0.000 1.192 681 I CA 0.393 61.672 61.300 -0.036 0.000 1.426 681 I CB -0.552 37.390 38.000 -0.096 0.000 1.367 681 I HN 0.602 nan 8.210 nan 0.000 0.563 682 H N 9.308 128.386 119.070 0.013 0.000 3.038 682 H HA -0.015 4.542 4.556 0.001 0.000 0.338 682 H C -1.485 173.775 175.328 -0.114 0.000 1.041 682 H CA -0.672 55.325 56.048 -0.084 0.000 1.394 682 H CB 1.115 30.790 29.762 -0.145 0.000 1.357 682 H HN 0.314 nan 8.280 nan 0.000 0.600 683 P HA -0.131 nan 4.420 nan 0.000 0.226 683 P C 1.156 178.409 177.300 -0.078 0.000 1.146 683 P CA 1.360 64.311 63.100 -0.250 0.000 0.773 683 P CB 0.022 31.512 31.700 -0.351 0.000 0.772 684 S N -3.203 112.555 115.700 0.097 0.000 2.603 684 S HA 0.025 4.496 4.470 0.001 0.000 0.229 684 S C 0.747 175.348 174.600 0.002 0.000 0.972 684 S CA 0.463 58.705 58.200 0.070 0.000 0.935 684 S CB -0.839 62.427 63.200 0.111 0.000 0.769 684 S HN 0.045 nan 8.310 nan 0.000 0.536 685 T N 1.339 115.896 114.554 0.004 0.000 2.952 685 T HA 0.553 4.903 4.350 0.001 0.000 0.305 685 T C -1.217 173.474 174.700 -0.015 0.000 1.064 685 T CA -0.531 61.559 62.100 -0.016 0.000 1.008 685 T CB 2.165 71.025 68.868 -0.013 0.000 1.078 685 T HN -0.034 nan 8.240 nan 0.000 0.459 686 V N 4.341 124.246 119.914 -0.016 0.000 2.444 686 V HA 0.487 4.607 4.120 0.001 0.000 0.294 686 V C -0.281 175.818 176.094 0.008 0.000 1.022 686 V CA -0.763 61.535 62.300 -0.002 0.000 0.850 686 V CB 1.387 33.205 31.823 -0.008 0.000 0.992 686 V HN 0.712 nan 8.190 nan 0.000 0.426 687 L N 3.675 124.916 121.223 0.028 0.000 2.379 687 L HA 0.650 4.990 4.340 0.001 0.000 0.269 687 L C 1.293 178.201 176.870 0.062 0.000 1.084 687 L CA -0.025 54.842 54.840 0.045 0.000 0.802 687 L CB 1.119 43.216 42.059 0.064 0.000 1.175 687 L HN 0.748 nan 8.230 nan 0.000 0.448 688 G N -1.090 107.746 108.800 0.060 0.000 2.486 688 G HA2 -0.034 3.927 3.960 0.001 0.000 0.272 688 G HA3 -0.034 3.927 3.960 0.001 0.000 0.272 688 G C 0.507 175.481 174.900 0.123 0.000 1.426 688 G CA 0.104 45.251 45.100 0.077 0.000 1.058 688 G HN 0.798 nan 8.290 nan 0.000 0.531 689 H N -1.090 117.992 119.070 0.020 0.000 2.415 689 H HA 0.079 4.635 4.556 0.001 0.000 0.297 689 H C 0.768 176.110 175.328 0.023 0.000 1.048 689 H CA 1.193 57.250 56.048 0.015 0.000 1.365 689 H CB 0.212 29.976 29.762 0.003 0.000 1.421 689 H HN 0.292 nan 8.280 nan 0.000 0.533 690 D N 0.181 120.575 120.400 -0.010 0.000 2.519 690 D HA 0.226 4.866 4.640 0.001 0.000 0.238 690 D C -0.094 176.201 176.300 -0.008 0.000 1.192 690 D CA 0.420 54.384 54.000 -0.060 0.000 0.835 690 D CB -0.042 40.757 40.800 -0.002 0.000 0.975 690 D HN 0.421 nan 8.370 nan 0.000 0.490 691 A N 0.458 123.290 122.820 0.020 0.000 3.106 691 A HA 0.200 4.521 4.320 0.001 0.000 0.306 691 A C 1.584 179.247 177.584 0.131 0.000 1.192 691 A CA -0.420 51.675 52.037 0.097 0.000 0.994 691 A CB 0.077 19.153 19.000 0.126 0.000 1.107 691 A HN -0.001 nan 8.150 nan 0.000 0.585 692 E N 0.319 120.544 120.200 0.042 0.000 2.070 692 E HA -0.152 4.198 4.350 0.001 0.000 0.197 692 E C -0.224 176.346 176.600 -0.051 0.000 1.004 692 E CA 1.568 57.939 56.400 -0.049 0.000 0.805 692 E CB -0.018 29.688 29.700 0.010 0.000 0.744 692 E HN 0.680 nan 8.360 nan 0.000 0.451 693 W N -0.182 121.166 121.300 0.080 0.000 2.702 693 W HA 0.495 5.155 4.660 0.001 0.000 0.331 693 W C -0.901 175.689 176.519 0.117 0.000 1.049 693 W CA -0.885 56.533 57.345 0.122 0.000 1.230 693 W CB 1.639 31.123 29.460 0.040 0.000 1.408 693 W HN -0.090 nan 8.180 nan 0.000 0.492 694 V N 0.764 120.893 119.914 0.358 0.000 3.078 694 V HA 0.683 4.804 4.120 0.001 0.000 0.311 694 V C -0.927 175.320 176.094 0.256 0.000 1.138 694 V CA -1.508 60.927 62.300 0.226 0.000 1.007 694 V CB 1.935 33.807 31.823 0.082 0.000 1.045 694 V HN 0.488 nan 8.190 nan 0.000 0.432 695 I N 3.362 124.029 120.570 0.161 0.000 2.412 695 I HA 0.576 4.747 4.170 0.001 0.000 0.296 695 I C -0.666 175.531 176.117 0.132 0.000 0.987 695 I CA -0.670 60.683 61.300 0.089 0.000 1.180 695 I CB 1.621 39.597 38.000 -0.039 0.000 1.340 695 I HN 0.882 nan 8.210 nan 0.000 0.455 696 Y N 2.877 123.240 120.300 0.105 0.000 2.487 696 Y HA 0.495 5.045 4.550 0.001 0.000 0.337 696 Y C 0.465 176.419 175.900 0.090 0.000 1.076 696 Y CA -1.131 57.026 58.100 0.095 0.000 1.115 696 Y CB 0.624 39.129 38.460 0.075 0.000 1.235 696 Y HN 0.485 nan 8.280 nan 0.000 0.468 697 N N 0.518 119.324 118.700 0.176 0.000 2.333 697 N HA -0.052 4.689 4.740 0.001 0.000 0.178 697 N C -0.597 175.043 175.510 0.216 0.000 1.018 697 N CA 0.970 54.045 53.050 0.041 0.000 0.882 697 N CB 0.424 38.864 38.487 -0.078 0.000 0.984 697 N HN 0.842 nan 8.380 nan 0.000 0.434 698 E N -1.225 119.178 120.200 0.338 0.000 2.352 698 E HA 0.178 4.528 4.350 0.001 0.000 0.280 698 E C -1.795 175.004 176.600 0.332 0.000 0.930 698 E CA -0.657 55.921 56.400 0.296 0.000 0.765 698 E CB 0.833 30.606 29.700 0.121 0.000 1.219 698 E HN 0.020 nan 8.360 nan 0.000 0.434 699 F N 4.335 124.381 119.950 0.161 0.000 2.427 699 F HA 0.489 5.017 4.527 0.001 0.000 0.348 699 F C -1.334 174.510 175.800 0.073 0.000 1.125 699 F CA -0.535 57.507 58.000 0.069 0.000 0.989 699 F CB 1.208 40.265 39.000 0.094 0.000 1.165 699 F HN 0.211 nan 8.300 nan 0.000 0.442 700 V N 7.056 127.022 119.914 0.087 0.000 2.513 700 V HA 0.401 4.522 4.120 0.001 0.000 0.299 700 V C -0.331 175.895 176.094 0.220 0.000 1.035 700 V CA -0.828 61.575 62.300 0.172 0.000 0.889 700 V CB 1.904 33.816 31.823 0.149 0.000 0.988 700 V HN 0.598 nan 8.190 nan 0.000 0.440 701 L N 4.878 126.235 121.223 0.224 0.000 2.366 701 L HA 0.483 4.824 4.340 0.001 0.000 0.266 701 L C 0.252 177.226 176.870 0.173 0.000 1.010 701 L CA 0.038 54.999 54.840 0.202 0.000 0.879 701 L CB 1.267 43.436 42.059 0.182 0.000 1.228 701 L HN 0.764 nan 8.230 nan 0.000 0.439 702 T N -1.146 113.529 114.554 0.202 0.000 2.624 702 T HA 0.131 4.481 4.350 0.001 0.000 0.223 702 T C 1.359 176.127 174.700 0.113 0.000 0.992 702 T CA -0.326 61.870 62.100 0.160 0.000 1.111 702 T CB 0.686 69.666 68.868 0.187 0.000 2.611 702 T HN 0.352 nan 8.240 nan 0.000 0.489 703 S N 0.654 116.415 115.700 0.101 0.000 2.406 703 S HA 0.095 4.566 4.470 0.001 0.000 0.228 703 S C 0.782 175.380 174.600 -0.002 0.000 1.020 703 S CA 1.117 59.346 58.200 0.049 0.000 0.965 703 S CB -0.151 63.077 63.200 0.047 0.000 0.798 703 S HN 0.306 nan 8.310 nan 0.000 0.488 704 K N 1.371 121.752 120.400 -0.031 0.000 2.211 704 K HA 0.379 4.700 4.320 0.001 0.000 0.237 704 K C -0.974 175.424 176.600 -0.336 0.000 1.002 704 K CA -0.824 55.306 56.287 -0.262 0.000 0.885 704 K CB 0.502 32.717 32.500 -0.475 0.000 1.136 704 K HN -0.041 nan 8.250 nan 0.000 0.448 705 N N 1.487 119.917 118.700 -0.449 0.000 2.425 705 N HA 0.278 5.018 4.740 0.001 0.000 0.268 705 N C -1.310 173.779 175.510 -0.702 0.000 0.991 705 N CA -0.221 52.572 53.050 -0.429 0.000 0.931 705 N CB 0.616 38.955 38.487 -0.247 0.000 1.130 705 N HN 0.383 nan 8.380 nan 0.000 0.493 706 Y N 0.641 120.731 120.300 -0.348 0.000 2.549 706 Y HA 0.575 5.126 4.550 0.001 0.000 0.339 706 Y C 0.721 176.329 175.900 -0.487 0.000 1.053 706 Y CA -1.354 56.566 58.100 -0.301 0.000 1.105 706 Y CB 1.519 39.946 38.460 -0.054 0.000 1.258 706 Y HN 0.320 nan 8.280 nan 0.000 0.478 707 I N 0.101 120.513 120.570 -0.264 0.000 2.412 707 I HA 0.733 4.903 4.170 0.001 0.000 0.296 707 I C -0.683 175.388 176.117 -0.078 0.000 0.987 707 I CA -0.935 60.162 61.300 -0.339 0.000 1.180 707 I CB 1.987 39.615 38.000 -0.619 0.000 1.340 707 I HN 0.572 nan 8.210 nan 0.000 0.455 708 R N 3.652 124.134 120.500 -0.029 0.000 2.750 708 R HA 0.475 4.816 4.340 0.001 0.000 0.281 708 R C -1.060 175.230 176.300 -0.015 0.000 0.972 708 R CA -0.302 55.766 56.100 -0.054 0.000 0.912 708 R CB 1.975 32.142 30.300 -0.221 0.000 1.187 708 R HN 0.933 nan 8.270 nan 0.000 0.464 709 T N 0.891 115.412 114.554 -0.055 0.000 2.626 709 T HA -0.128 4.222 4.350 0.001 0.000 0.494 709 T C -0.330 174.388 174.700 0.029 0.000 0.803 709 T CA 0.874 62.914 62.100 -0.100 0.000 2.618 709 T CB -1.623 67.109 68.868 -0.227 0.000 1.693 709 T HN 0.525 nan 8.240 nan 0.000 0.539 710 V N -0.210 119.748 119.914 0.073 0.000 2.769 710 V HA 1.005 5.125 4.120 0.001 0.000 0.312 710 V C 0.068 176.265 176.094 0.171 0.000 1.061 710 V CA -0.665 61.721 62.300 0.143 0.000 0.931 710 V CB 2.809 34.655 31.823 0.037 0.000 1.010 710 V HN 0.638 nan 8.190 nan 0.000 0.433 711 T N 2.455 117.103 114.554 0.156 0.000 2.993 711 T HA 0.550 4.900 4.350 0.001 0.000 0.312 711 T C -0.190 174.563 174.700 0.089 0.000 1.115 711 T CA -0.192 61.979 62.100 0.119 0.000 1.027 711 T CB 1.648 70.555 68.868 0.065 0.000 1.116 711 T HN 1.333 nan 8.240 nan 0.000 0.464 712 S N 1.742 117.505 115.700 0.105 0.000 2.592 712 S HA 0.760 5.231 4.470 0.001 0.000 0.271 712 S C -0.130 174.551 174.600 0.136 0.000 1.326 712 S CA -0.623 57.650 58.200 0.121 0.000 1.024 712 S CB 1.391 64.655 63.200 0.107 0.000 0.921 712 S HN 0.697 nan 8.310 nan 0.000 0.527 713 V N 2.039 122.032 119.914 0.131 0.000 3.012 713 V HA 0.499 4.619 4.120 0.001 0.000 0.307 713 V C -0.911 175.094 176.094 -0.148 0.000 1.166 713 V CA -1.055 61.312 62.300 0.112 0.000 0.974 713 V CB 2.168 34.098 31.823 0.179 0.000 1.040 713 V HN 1.059 nan 8.190 nan 0.000 0.428 714 R N 6.185 126.287 120.500 -0.664 0.000 2.442 714 R HA 0.264 4.605 4.340 0.001 0.000 0.291 714 R C -1.768 174.137 176.300 -0.658 0.000 1.069 714 R CA -1.266 54.311 56.100 -0.872 0.000 1.022 714 R CB 0.952 30.228 30.300 -1.707 0.000 0.976 714 R HN 0.584 nan 8.270 nan 0.000 0.443 715 P HA -0.126 nan 4.420 nan 0.000 0.222 715 P C 0.148 177.077 177.300 -0.618 0.000 1.147 715 P CA 1.124 63.675 63.100 -0.915 0.000 0.790 715 P CB 0.333 31.154 31.700 -1.465 0.000 0.780 716 E N -1.120 118.792 120.200 -0.480 0.000 2.204 716 E HA -0.162 4.189 4.350 0.001 0.000 0.195 716 E C 1.704 178.240 176.600 -0.107 0.000 0.990 716 E CA 1.014 57.244 56.400 -0.283 0.000 0.821 716 E CB -0.894 28.673 29.700 -0.221 0.000 0.750 716 E HN 0.344 nan 8.360 nan 0.000 0.477 717 W N 0.479 121.646 121.300 -0.221 0.000 2.418 717 W HA 0.081 4.742 4.660 0.001 0.000 0.292 717 W C 1.826 178.209 176.519 -0.226 0.000 1.213 717 W CA 0.385 57.624 57.345 -0.176 0.000 1.283 717 W CB -1.022 28.350 29.460 -0.148 0.000 1.119 717 W HN 0.110 nan 8.180 nan 0.000 0.542 718 L N -0.239 120.899 121.223 -0.141 0.000 2.079 718 L HA -0.228 4.113 4.340 0.001 0.000 0.210 718 L C 2.215 178.856 176.870 -0.383 0.000 1.081 718 L CA 1.303 55.910 54.840 -0.389 0.000 0.752 718 L CB -0.835 40.666 42.059 -0.929 0.000 0.896 718 L HN -0.116 nan 8.230 nan 0.000 0.433 719 I N -0.720 119.654 120.570 -0.327 0.000 2.500 719 I HA -0.195 3.975 4.170 0.001 0.000 0.252 719 I C 2.339 178.423 176.117 -0.055 0.000 1.142 719 I CA 0.962 62.167 61.300 -0.158 0.000 1.451 719 I CB -0.165 37.743 38.000 -0.155 0.000 1.093 719 I HN 0.244 nan 8.210 nan 0.000 0.430 720 E N 0.848 121.026 120.200 -0.037 0.000 2.106 720 E HA -0.139 4.211 4.350 0.001 0.000 0.192 720 E C 2.187 178.785 176.600 -0.003 0.000 0.984 720 E CA 1.148 57.550 56.400 0.004 0.000 0.806 720 E CB 0.137 29.871 29.700 0.055 0.000 0.750 720 E HN 0.490 nan 8.360 nan 0.000 0.458 721 I N -0.345 120.217 120.570 -0.013 0.000 2.867 721 I HA 0.008 4.179 4.170 0.001 0.000 0.265 721 I C 0.967 177.018 176.117 -0.109 0.000 1.162 721 I CA 0.198 61.491 61.300 -0.012 0.000 1.471 721 I CB 0.556 38.566 38.000 0.018 0.000 1.123 721 I HN -0.082 nan 8.210 nan 0.000 0.440 722 A N 1.104 123.834 122.820 -0.149 0.000 3.253 722 A HA 0.390 4.711 4.320 0.001 0.000 0.290 722 A C -1.822 175.769 177.584 0.011 0.000 0.950 722 A CA -0.850 51.014 52.037 -0.289 0.000 0.986 722 A CB -0.362 18.064 19.000 -0.958 0.000 1.104 722 A HN -0.012 nan 8.150 nan 0.000 0.481 723 P HA -0.137 nan 4.420 nan 0.000 0.220 723 P C 1.434 178.824 177.300 0.149 0.000 1.148 723 P CA 1.682 64.840 63.100 0.096 0.000 0.803 723 P CB 0.266 31.992 31.700 0.044 0.000 0.782 724 A N -1.387 121.527 122.820 0.156 0.000 1.968 724 A HA -0.164 4.157 4.320 0.001 0.000 0.217 724 A C 2.237 180.035 177.584 0.357 0.000 1.169 724 A CA 0.941 53.142 52.037 0.273 0.000 0.638 724 A CB -1.546 17.626 19.000 0.287 0.000 0.812 724 A HN 0.119 nan 8.150 nan 0.000 0.446 725 Y N -1.432 118.904 120.300 0.061 0.000 2.269 725 Y HA 0.011 4.562 4.550 0.001 0.000 0.294 725 Y C 0.871 176.674 175.900 -0.161 0.000 1.120 725 Y CA 0.944 58.886 58.100 -0.264 0.000 1.159 725 Y CB -0.049 38.167 38.460 -0.408 0.000 1.024 725 Y HN 0.333 nan 8.280 nan 0.000 0.532 726 Y N 1.064 121.486 120.300 0.204 0.000 2.873 726 Y HA 0.116 4.667 4.550 0.001 0.000 0.375 726 Y C -0.028 175.969 175.900 0.162 0.000 1.070 726 Y CA -0.400 57.838 58.100 0.230 0.000 1.644 726 Y CB -0.509 38.012 38.460 0.102 0.000 1.495 726 Y HN -0.002 nan 8.280 nan 0.000 0.494 727 D N 0.444 121.008 120.400 0.273 0.000 2.316 727 D HA 0.084 4.725 4.640 0.001 0.000 0.245 727 D C 0.890 177.370 176.300 0.300 0.000 1.171 727 D CA -0.046 54.095 54.000 0.234 0.000 0.856 727 D CB 0.969 41.924 40.800 0.258 0.000 1.090 727 D HN 0.305 nan 8.370 nan 0.000 0.476 728 L N 2.669 123.997 121.223 0.176 0.000 2.187 728 L HA -0.161 4.180 4.340 0.001 0.000 0.213 728 L C 2.252 179.281 176.870 0.265 0.000 1.100 728 L CA 0.618 55.554 54.840 0.160 0.000 0.765 728 L CB -0.420 41.650 42.059 0.018 0.000 0.904 728 L HN 0.322 nan 8.230 nan 0.000 0.437 729 S N 0.167 116.007 115.700 0.234 0.000 2.419 729 S HA -0.145 4.325 4.470 0.001 0.000 0.235 729 S C 1.667 176.353 174.600 0.143 0.000 1.019 729 S CA 1.228 59.545 58.200 0.196 0.000 0.982 729 S CB -0.343 63.008 63.200 0.252 0.000 0.789 729 S HN 0.504 nan 8.310 nan 0.000 0.490 730 N N 0.431 119.222 118.700 0.150 0.000 2.331 730 N HA 0.099 4.839 4.740 0.001 0.000 0.180 730 N C -0.026 175.397 175.510 -0.146 0.000 1.019 730 N CA 0.511 53.526 53.050 -0.058 0.000 0.881 730 N CB -0.180 38.134 38.487 -0.288 0.000 0.972 730 N HN 0.355 nan 8.380 nan 0.000 0.435 731 F N 1.581 121.500 119.950 -0.052 0.000 2.396 731 F HA 0.208 4.736 4.527 0.001 0.000 0.343 731 F C 1.146 176.943 175.800 -0.005 0.000 1.104 731 F CA -0.728 57.251 58.000 -0.035 0.000 1.161 731 F CB 0.734 39.729 39.000 -0.009 0.000 1.146 731 F HN -0.212 nan 8.300 nan 0.000 0.522 732 Q N 2.092 121.975 119.800 0.138 0.000 2.382 732 Q HA 0.176 4.517 4.340 0.001 0.000 0.229 732 Q C -0.266 175.812 176.000 0.129 0.000 1.006 732 Q CA -0.419 55.444 55.803 0.100 0.000 0.916 732 Q CB 0.679 29.450 28.738 0.056 0.000 1.235 732 Q HN 0.535 nan 8.270 nan 0.000 0.512 733 K N 0.017 120.468 120.400 0.085 0.000 2.448 733 K HA 0.382 4.702 4.320 0.001 0.000 0.278 733 K C 0.130 176.773 176.600 0.071 0.000 1.009 733 K CA 0.526 56.857 56.287 0.073 0.000 0.995 733 K CB 0.338 32.866 32.500 0.048 0.000 0.917 733 K HN 0.780 nan 8.250 nan 0.000 0.481 734 G N 1.439 110.280 108.800 0.069 0.000 2.315 734 G HA2 -0.093 3.867 3.960 0.001 0.000 0.294 734 G HA3 -0.093 3.867 3.960 0.001 0.000 0.294 734 G C -0.356 174.575 174.900 0.052 0.000 1.300 734 G CA -0.471 44.664 45.100 0.060 0.000 0.843 734 G HN 0.552 nan 8.290 nan 0.000 0.527 735 D N -0.855 119.565 120.400 0.034 0.000 2.144 735 D HA -0.097 4.544 4.640 0.001 0.000 0.199 735 D C 2.531 178.852 176.300 0.036 0.000 0.984 735 D CA 1.983 55.990 54.000 0.011 0.000 0.834 735 D CB -0.016 40.768 40.800 -0.027 0.000 0.955 735 D HN 0.189 nan 8.370 nan 0.000 0.465 736 V N 0.660 120.621 119.914 0.079 0.000 2.237 736 V HA -0.225 3.895 4.120 0.001 0.000 0.245 736 V C 2.663 178.839 176.094 0.136 0.000 1.046 736 V CA 2.096 64.494 62.300 0.163 0.000 1.007 736 V CB -0.649 31.345 31.823 0.285 0.000 0.638 736 V HN 0.243 nan 8.190 nan 0.000 0.445 737 K N -0.157 120.296 120.400 0.089 0.000 2.009 737 K HA -0.216 4.105 4.320 0.001 0.000 0.210 737 K C 2.284 178.876 176.600 -0.012 0.000 1.049 737 K CA 1.928 58.197 56.287 -0.029 0.000 0.929 737 K CB -0.394 32.145 32.500 0.065 0.000 0.714 737 K HN 0.362 nan 8.250 nan 0.000 0.440 738 L N 0.573 121.812 121.223 0.026 0.000 2.021 738 L HA -0.281 4.059 4.340 0.001 0.000 0.215 738 L C 2.528 179.417 176.870 0.032 0.000 1.074 738 L CA 2.035 56.888 54.840 0.022 0.000 0.760 738 L CB -0.451 41.621 42.059 0.021 0.000 0.889 738 L HN 0.354 nan 8.230 nan 0.000 0.433 739 S N -0.770 114.972 115.700 0.071 0.000 2.387 739 S HA -0.107 4.364 4.470 0.001 0.000 0.226 739 S C 1.905 176.589 174.600 0.141 0.000 1.026 739 S CA 0.825 59.100 58.200 0.126 0.000 0.972 739 S CB -0.170 63.138 63.200 0.180 0.000 0.814 739 S HN 0.407 nan 8.310 nan 0.000 0.477 740 L N 0.876 122.161 121.223 0.103 0.000 2.093 740 L HA -0.053 4.288 4.340 0.001 0.000 0.208 740 L C 2.612 179.442 176.870 -0.066 0.000 1.085 740 L CA 1.320 56.140 54.840 -0.033 0.000 0.755 740 L CB -0.472 41.480 42.059 -0.178 0.000 0.904 740 L HN 0.367 nan 8.230 nan 0.000 0.435 741 E N -0.007 120.164 120.200 -0.049 0.000 2.070 741 E HA -0.264 4.087 4.350 0.001 0.000 0.197 741 E C 2.325 178.909 176.600 -0.027 0.000 1.004 741 E CA 1.482 57.859 56.400 -0.038 0.000 0.805 741 E CB 0.031 29.719 29.700 -0.020 0.000 0.744 741 E HN 0.400 nan 8.360 nan 0.000 0.451 742 R N -0.032 120.462 120.500 -0.010 0.000 2.092 742 R HA -0.097 4.244 4.340 0.001 0.000 0.231 742 R C 2.393 178.680 176.300 -0.022 0.000 1.119 742 R CA 1.126 57.222 56.100 -0.007 0.000 0.970 742 R CB -0.338 29.968 30.300 0.009 0.000 0.864 742 R HN 0.203 nan 8.270 nan 0.000 0.440 743 I N 1.163 121.713 120.570 -0.033 0.000 2.315 743 I HA -0.247 3.924 4.170 0.001 0.000 0.248 743 I C 2.254 178.323 176.117 -0.080 0.000 1.117 743 I CA 1.427 62.684 61.300 -0.071 0.000 1.404 743 I CB -0.111 37.810 38.000 -0.132 0.000 1.071 743 I HN 0.075 nan 8.210 nan 0.000 0.419 744 K N 0.464 120.819 120.400 -0.075 0.000 2.057 744 K HA -0.169 4.152 4.320 0.001 0.000 0.206 744 K C 1.944 178.518 176.600 -0.044 0.000 1.050 744 K CA 1.313 57.562 56.287 -0.064 0.000 0.935 744 K CB -0.110 32.355 32.500 -0.058 0.000 0.715 744 K HN 0.352 nan 8.250 nan 0.000 0.439 745 E N 1.103 121.282 120.200 -0.035 0.000 2.019 745 E HA -0.247 4.104 4.350 0.001 0.000 0.208 745 E C 1.871 178.455 176.600 -0.026 0.000 1.030 745 E CA 1.710 58.095 56.400 -0.025 0.000 0.856 745 E CB -0.092 29.596 29.700 -0.019 0.000 0.781 745 E HN 0.197 nan 8.360 nan 0.000 0.471 746 K N 0.620 121.003 120.400 -0.029 0.000 2.107 746 K HA -0.163 4.157 4.320 0.001 0.000 0.211 746 K C 1.278 177.860 176.600 -0.030 0.000 1.049 746 K CA 1.084 57.354 56.287 -0.028 0.000 0.927 746 K CB -0.466 32.014 32.500 -0.033 0.000 0.714 746 K HN -0.015 nan 8.250 nan 0.000 0.452 747 V N 0.000 119.891 119.914 -0.038 0.000 2.409 747 V HA 0.000 4.121 4.120 0.001 0.000 0.244 747 V CA 0.000 62.280 62.300 -0.034 0.000 1.235 747 V CB 0.000 31.796 31.823 -0.045 0.000 1.184 747 V HN 0.000 nan 8.190 nan 0.000 0.556