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 1hpu_1_B DATA FIRST_RESID 26 DATA SEQUENCE YEQDKTYKIT VLHTNDHHGH FWRNEYGEYG LAAQKTLVDG IRKEVAAEGG DATA SEQUENCE SVLLLSGGDI NTGVPESDLQ DAEPDFRGMN LVGYDAMAIG NHEFDNPLTV DATA SEQUENCE LRQQEKWAKF PLLSANIYQK STGERLFKPW ALFKRQDLKI AVIGLTTDDT DATA SEQUENCE AKIGNPEYFT DIEFRKPADE AKLVIQELQQ TEKPDIIIAA THMGHYDNGE DATA SEQUENCE HGSNAPGDVE MARALPAGSL AMIVGGHSQD PVcMAAENKK QVDYVPGTPc DATA SEQUENCE KPDQQNGIWI VQAHEWGKYV GRADFEFRNG EMKMVNYQLI PVNLKKKVTW DATA SEQUENCE EDGKSERVLY TPEIAENQQM ISLLSPFQNK GKAQLEVKIG ETNGRLEGDR DATA SEQUENCE DKVRFVQTNM GRLILAAQMD RTGADFAVMS GGGIRDSIEA GDISYKNVLK DATA SEQUENCE VQPFGNVVVY ADMTGKEVID YLTAVAQMKP DSGAYPQFAN VSFVAKDGKL DATA SEQUENCE NDLKIKGEPV DPAKTYRMAT LNFNATGGDG YPRLDNKPGY VNTGFIDAEV DATA SEQUENCE LKAYIQKSSP LDVSVYEPKG EVSWQ 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 26 Y HA 0.000 nan 4.550 nan 0.000 0.201 26 Y C 0.000 176.025 175.900 0.209 0.000 1.272 26 Y CA 0.000 58.170 58.100 0.117 0.000 1.940 26 Y CB 0.000 38.525 38.460 0.108 0.000 1.050 27 E N 1.877 122.471 120.200 0.657 0.000 2.229 27 E HA 0.208 4.559 4.350 0.002 0.000 0.283 27 E C -0.673 176.239 176.600 0.519 0.000 1.030 27 E CA -0.790 55.870 56.400 0.434 0.000 0.836 27 E CB 0.990 30.864 29.700 0.291 0.000 1.068 27 E HN 0.639 nan 8.360 nan 0.000 0.401 28 Q N 3.503 123.514 119.800 0.352 0.000 2.283 28 Q HA -0.103 4.238 4.340 0.002 0.000 0.301 28 Q C -0.542 175.581 176.000 0.206 0.000 1.063 28 Q CA 1.091 57.080 55.803 0.310 0.000 0.952 28 Q CB 0.285 29.128 28.738 0.175 0.000 1.166 28 Q HN 0.603 nan 8.270 nan 0.000 0.381 29 D N 1.096 121.594 120.400 0.164 0.000 3.077 29 D HA -0.225 4.417 4.640 0.002 0.000 0.217 29 D C -0.669 175.668 176.300 0.061 0.000 1.162 29 D CA 1.254 55.303 54.000 0.081 0.000 0.943 29 D CB -0.754 40.081 40.800 0.057 0.000 1.122 29 D HN 0.621 nan 8.370 nan 0.000 0.413 30 K N 0.587 121.048 120.400 0.103 0.000 2.172 30 K HA 0.334 4.655 4.320 0.002 0.000 0.276 30 K C -0.532 176.070 176.600 0.002 0.000 1.013 30 K CA -0.122 56.154 56.287 -0.018 0.000 0.913 30 K CB 0.927 33.336 32.500 -0.151 0.000 1.055 30 K HN -0.216 nan 8.250 nan 0.000 0.461 31 T N 4.401 118.919 114.554 -0.060 0.000 2.738 31 T HA 0.238 4.590 4.350 0.002 0.000 0.298 31 T C -1.089 173.615 174.700 0.007 0.000 0.962 31 T CA -0.228 61.896 62.100 0.039 0.000 0.972 31 T CB -0.114 68.766 68.868 0.020 0.000 0.928 31 T HN 0.302 nan 8.240 nan 0.000 0.474 32 Y N 2.253 122.629 120.300 0.127 0.000 2.323 32 Y HA 0.419 4.971 4.550 0.003 0.000 0.331 32 Y C 0.868 176.836 175.900 0.114 0.000 1.092 32 Y CA -0.970 57.202 58.100 0.119 0.000 1.150 32 Y CB 0.960 39.501 38.460 0.134 0.000 1.200 32 Y HN 0.349 nan 8.280 nan 0.000 0.472 33 K N 4.321 124.847 120.400 0.211 0.000 2.213 33 K HA 0.631 4.952 4.320 0.002 0.000 0.270 33 K C -1.143 175.549 176.600 0.153 0.000 1.002 33 K CA -0.283 56.098 56.287 0.158 0.000 0.868 33 K CB 1.167 33.721 32.500 0.090 0.000 1.093 33 K HN 0.569 nan 8.250 nan 0.000 0.454 34 I N 2.164 122.834 120.570 0.167 0.000 2.478 34 I HA 0.173 4.345 4.170 0.002 0.000 0.287 34 I C -0.605 175.615 176.117 0.171 0.000 1.042 34 I CA -0.601 60.780 61.300 0.135 0.000 1.067 34 I CB 2.375 40.437 38.000 0.103 0.000 1.233 34 I HN 0.472 nan 8.210 nan 0.000 0.431 35 T N 5.626 120.242 114.554 0.103 0.000 2.771 35 T HA 0.471 4.822 4.350 0.002 0.000 0.281 35 T C -0.317 174.432 174.700 0.082 0.000 0.982 35 T CA -0.389 61.767 62.100 0.092 0.000 0.978 35 T CB 1.696 70.579 68.868 0.026 0.000 0.930 35 T HN 0.157 nan 8.240 nan 0.000 0.447 36 V N 5.803 125.804 119.914 0.144 0.000 2.357 36 V HA 0.452 4.574 4.120 0.002 0.000 0.284 36 V C -0.090 176.077 176.094 0.121 0.000 1.018 36 V CA -0.776 61.593 62.300 0.115 0.000 0.841 36 V CB 1.108 33.041 31.823 0.183 0.000 0.991 36 V HN 0.718 nan 8.190 nan 0.000 0.437 37 L N 5.712 126.961 121.223 0.043 0.000 2.334 37 L HA 0.772 5.113 4.340 0.002 0.000 0.275 37 L C -0.280 176.656 176.870 0.110 0.000 1.036 37 L CA -0.557 54.298 54.840 0.024 0.000 0.807 37 L CB 1.541 43.540 42.059 -0.100 0.000 1.231 37 L HN 0.961 nan 8.230 nan 0.000 0.438 38 H N -0.768 118.296 119.070 -0.010 0.000 3.064 38 H HA 0.749 5.307 4.556 0.002 0.000 0.352 38 H C -1.105 174.282 175.328 0.098 0.000 1.260 38 H CA -0.805 55.273 56.048 0.051 0.000 1.160 38 H CB 1.784 31.599 29.762 0.089 0.000 1.879 38 H HN 0.570 nan 8.280 nan 0.000 0.544 39 T N 0.334 114.998 114.554 0.183 0.000 2.812 39 T HA 0.624 4.975 4.350 0.002 0.000 0.294 39 T C -1.169 173.666 174.700 0.224 0.000 1.159 39 T CA -0.815 61.380 62.100 0.159 0.000 1.008 39 T CB 2.134 71.126 68.868 0.205 0.000 1.289 39 T HN 1.212 nan 8.240 nan 0.000 0.514 40 N N -0.977 117.841 118.700 0.197 0.000 3.322 40 N HA 0.183 4.924 4.740 0.002 0.000 0.233 40 N C -1.609 174.022 175.510 0.200 0.000 1.399 40 N CA -0.591 52.582 53.050 0.205 0.000 0.894 40 N CB 0.756 39.384 38.487 0.236 0.000 1.440 40 N HN 0.892 nan 8.380 nan 0.000 0.503 41 D N -0.035 120.483 120.400 0.197 0.000 2.708 41 D HA -0.231 4.411 4.640 0.002 0.000 0.236 41 D C 0.840 177.272 176.300 0.220 0.000 1.146 41 D CA 1.113 55.212 54.000 0.164 0.000 0.662 41 D CB -1.032 39.974 40.800 0.343 0.000 1.059 41 D HN 0.701 nan 8.370 nan 0.000 0.428 42 H N 0.660 119.749 119.070 0.031 0.000 2.352 42 H HA -0.152 4.405 4.556 0.002 0.000 0.299 42 H C 0.803 176.270 175.328 0.232 0.000 1.097 42 H CA 2.528 58.629 56.048 0.089 0.000 1.311 42 H CB 0.079 29.811 29.762 -0.049 0.000 1.377 42 H HN 0.390 nan 8.280 nan 0.000 0.504 43 H N -0.869 118.281 119.070 0.134 0.000 2.604 43 H HA -0.163 4.395 4.556 0.002 0.000 0.321 43 H C 1.486 176.687 175.328 -0.212 0.000 1.132 43 H CA 1.172 57.237 56.048 0.029 0.000 1.129 43 H CB -1.700 28.138 29.762 0.127 0.000 1.526 43 H HN 0.829 nan 8.280 nan 0.000 0.415 44 G N 0.040 108.775 108.800 -0.107 0.000 2.155 44 G HA2 -0.357 3.604 3.960 0.002 0.000 0.257 44 G HA3 -0.357 3.604 3.960 0.002 0.000 0.257 44 G C 0.242 174.891 174.900 -0.418 0.000 0.983 44 G CA 0.707 45.714 45.100 -0.155 0.000 0.676 44 G HN 0.730 nan 8.290 nan 0.000 0.528 45 H N 0.239 118.897 119.070 -0.686 0.000 2.794 45 H HA 0.370 4.927 4.556 0.002 0.000 0.256 45 H C 1.697 176.934 175.328 -0.151 0.000 1.637 45 H CA 0.104 55.842 56.048 -0.517 0.000 1.222 45 H CB -0.840 28.576 29.762 -0.577 0.000 1.545 45 H HN 0.571 nan 8.280 nan 0.000 0.518 46 F N -2.159 117.892 119.950 0.169 0.000 2.269 46 F HA -0.050 4.479 4.527 0.002 0.000 0.301 46 F C 0.857 176.847 175.800 0.316 0.000 1.082 46 F CA -0.106 58.082 58.000 0.312 0.000 1.360 46 F CB -0.037 39.090 39.000 0.213 0.000 1.041 46 F HN 0.241 nan 8.300 nan 0.000 0.512 47 W N 4.831 125.837 121.300 -0.490 0.000 2.448 47 W HA 0.342 5.004 4.660 0.002 0.000 0.339 47 W C 0.210 176.670 176.519 -0.098 0.000 1.124 47 W CA -1.411 55.772 57.345 -0.270 0.000 1.262 47 W CB 1.149 30.283 29.460 -0.542 0.000 1.251 47 W HN -0.057 nan 8.180 nan 0.000 0.597 48 R N 2.806 123.059 120.500 -0.412 0.000 2.738 48 R HA 0.077 4.419 4.340 0.002 0.000 0.268 48 R C 0.226 176.427 176.300 -0.166 0.000 1.062 48 R CA -0.278 55.650 56.100 -0.287 0.000 1.158 48 R CB 0.159 30.226 30.300 -0.388 0.000 1.046 48 R HN 0.465 nan 8.270 nan 0.000 0.493 49 N N 0.006 118.493 118.700 -0.355 0.000 2.418 49 N HA -0.093 4.649 4.740 0.002 0.000 0.283 49 N C 0.543 175.918 175.510 -0.226 0.000 1.267 49 N CA -0.119 52.784 53.050 -0.245 0.000 0.975 49 N CB 0.231 38.521 38.487 -0.328 0.000 1.167 49 N HN 0.823 nan 8.380 nan 0.000 0.581 50 E N -1.449 118.566 120.200 -0.308 0.000 2.331 50 E HA -0.239 4.113 4.350 0.002 0.000 0.199 50 E C 0.039 176.391 176.600 -0.413 0.000 1.008 50 E CA 1.297 57.458 56.400 -0.397 0.000 0.843 50 E CB -0.553 28.803 29.700 -0.573 0.000 0.761 50 E HN 0.658 nan 8.360 nan 0.000 0.507 51 Y N 0.041 120.286 120.300 -0.091 0.000 2.524 51 Y HA 0.384 4.935 4.550 0.002 0.000 0.266 51 Y C 1.525 177.352 175.900 -0.121 0.000 1.180 51 Y CA -0.258 57.789 58.100 -0.089 0.000 1.244 51 Y CB 0.854 39.267 38.460 -0.077 0.000 1.125 51 Y HN 0.192 nan 8.280 nan 0.000 0.524 52 G N 0.412 109.172 108.800 -0.066 0.000 2.143 52 G HA2 -0.275 3.686 3.960 0.002 0.000 0.248 52 G HA3 -0.275 3.686 3.960 0.002 0.000 0.248 52 G C -0.004 174.796 174.900 -0.166 0.000 0.991 52 G CA 0.019 45.053 45.100 -0.110 0.000 0.689 52 G HN 0.418 nan 8.290 nan 0.000 0.522 53 E N -0.396 119.634 120.200 -0.284 0.000 2.283 53 E HA 0.532 4.884 4.350 0.002 0.000 0.271 53 E C 1.142 177.374 176.600 -0.614 0.000 1.031 53 E CA -0.506 55.665 56.400 -0.382 0.000 0.868 53 E CB 0.735 30.189 29.700 -0.410 0.000 1.094 53 E HN 0.876 nan 8.360 nan 0.000 0.401 54 Y N 0.369 120.653 120.300 -0.026 0.000 2.551 54 Y HA -0.361 4.190 4.550 0.002 0.000 0.401 54 Y C 0.612 176.489 175.900 -0.039 0.000 1.055 54 Y CA 0.543 58.628 58.100 -0.026 0.000 2.199 54 Y CB -1.926 36.531 38.460 -0.005 0.000 1.075 54 Y HN 0.990 nan 8.280 nan 0.000 0.690 55 G N -1.108 107.918 108.800 0.377 0.000 2.692 55 G HA2 -0.031 3.930 3.960 0.002 0.000 0.686 55 G HA3 -0.031 3.930 3.960 0.002 0.000 0.686 55 G C -0.202 174.791 174.900 0.155 0.000 1.243 55 G CA -0.353 44.855 45.100 0.180 0.000 0.782 55 G HN 1.230 nan 8.290 nan 0.000 0.625 56 L N 0.980 122.315 121.223 0.187 0.000 2.291 56 L HA 0.070 4.411 4.340 0.002 0.000 0.214 56 L C 3.143 180.060 176.870 0.078 0.000 1.120 56 L CA 1.649 56.583 54.840 0.156 0.000 0.799 56 L CB -0.603 41.569 42.059 0.189 0.000 0.925 56 L HN 0.887 nan 8.230 nan 0.000 0.446 57 A N 0.311 123.140 122.820 0.015 0.000 1.898 57 A HA -0.108 4.213 4.320 0.002 0.000 0.216 57 A C 2.528 180.097 177.584 -0.024 0.000 1.181 57 A CA 1.611 53.633 52.037 -0.026 0.000 0.620 57 A CB -0.457 18.472 19.000 -0.119 0.000 0.819 57 A HN 0.369 nan 8.150 nan 0.000 0.442 58 A N -1.033 121.768 122.820 -0.031 0.000 1.929 58 A HA -0.133 4.188 4.320 0.002 0.000 0.216 58 A C 2.157 179.746 177.584 0.008 0.000 1.176 58 A CA 1.557 53.583 52.037 -0.018 0.000 0.628 58 A CB -0.520 18.468 19.000 -0.020 0.000 0.816 58 A HN 0.624 nan 8.150 nan 0.000 0.444 59 Q N -0.232 119.589 119.800 0.035 0.000 2.096 59 Q HA -0.280 4.061 4.340 0.002 0.000 0.204 59 Q C 2.093 178.103 176.000 0.017 0.000 0.982 59 Q CA 2.148 57.975 55.803 0.041 0.000 0.850 59 Q CB -0.118 28.671 28.738 0.086 0.000 0.901 59 Q HN 0.510 nan 8.270 nan 0.000 0.422 60 K N -0.121 120.294 120.400 0.025 0.000 2.009 60 K HA -0.134 4.188 4.320 0.002 0.000 0.210 60 K C 1.865 178.464 176.600 -0.002 0.000 1.049 60 K CA 2.411 58.706 56.287 0.014 0.000 0.929 60 K CB -0.799 31.717 32.500 0.027 0.000 0.714 60 K HN 0.181 nan 8.250 nan 0.000 0.440 61 T N 1.551 116.103 114.554 -0.003 0.000 2.684 61 T HA -0.154 4.197 4.350 0.002 0.000 0.267 61 T C 1.648 176.339 174.700 -0.014 0.000 1.036 61 T CA 1.462 63.557 62.100 -0.009 0.000 1.148 61 T CB -0.407 68.454 68.868 -0.011 0.000 0.863 61 T HN 0.229 nan 8.240 nan 0.000 0.436 62 L N 1.325 122.539 121.223 -0.015 0.000 1.989 62 L HA -0.065 4.277 4.340 0.002 0.000 0.211 62 L C 2.466 179.315 176.870 -0.035 0.000 1.071 62 L CA 1.642 56.469 54.840 -0.022 0.000 0.749 62 L CB -0.826 41.222 42.059 -0.017 0.000 0.890 62 L HN 0.089 nan 8.230 nan 0.000 0.431 63 V N -0.094 119.793 119.914 -0.045 0.000 2.343 63 V HA -0.272 3.849 4.120 0.002 0.000 0.247 63 V C 2.295 178.357 176.094 -0.052 0.000 1.051 63 V CA 1.867 64.126 62.300 -0.069 0.000 1.036 63 V CB -0.863 30.897 31.823 -0.106 0.000 0.654 63 V HN 0.459 nan 8.190 nan 0.000 0.451 64 D N 0.774 121.153 120.400 -0.035 0.000 2.123 64 D HA -0.131 4.510 4.640 0.002 0.000 0.196 64 D C 2.210 178.497 176.300 -0.022 0.000 0.992 64 D CA 1.694 55.680 54.000 -0.023 0.000 0.833 64 D CB -0.599 40.194 40.800 -0.011 0.000 0.954 64 D HN 0.474 nan 8.370 nan 0.000 0.455 65 G N 0.467 109.254 108.800 -0.022 0.000 2.408 65 G HA2 -0.182 3.780 3.960 0.002 0.000 0.217 65 G HA3 -0.182 3.780 3.960 0.002 0.000 0.217 65 G C 1.795 176.680 174.900 -0.025 0.000 1.150 65 G CA 0.236 45.323 45.100 -0.020 0.000 0.776 65 G HN 0.274 nan 8.290 nan 0.000 0.542 66 I N -0.066 120.484 120.570 -0.034 0.000 2.315 66 I HA -0.090 4.081 4.170 0.002 0.000 0.248 66 I C 3.007 179.104 176.117 -0.033 0.000 1.117 66 I CA 0.664 61.941 61.300 -0.038 0.000 1.404 66 I CB -0.155 37.814 38.000 -0.052 0.000 1.071 66 I HN 0.067 nan 8.210 nan 0.000 0.419 67 R N 0.808 121.287 120.500 -0.034 0.000 2.073 67 R HA -0.215 4.126 4.340 0.002 0.000 0.234 67 R C 2.347 178.638 176.300 -0.015 0.000 1.134 67 R CA 1.531 57.615 56.100 -0.027 0.000 0.952 67 R CB -0.315 29.969 30.300 -0.028 0.000 0.850 67 R HN 0.285 nan 8.270 nan 0.000 0.433 68 K N 1.066 121.458 120.400 -0.014 0.000 2.026 68 K HA -0.214 4.107 4.320 0.002 0.000 0.208 68 K C 2.129 178.725 176.600 -0.008 0.000 1.048 68 K CA 1.623 57.905 56.287 -0.008 0.000 0.929 68 K CB -0.041 32.455 32.500 -0.007 0.000 0.713 68 K HN 0.122 nan 8.250 nan 0.000 0.439 69 E N 0.435 120.628 120.200 -0.012 0.000 2.051 69 E HA -0.170 4.182 4.350 0.002 0.000 0.192 69 E C 1.898 178.493 176.600 -0.008 0.000 0.991 69 E CA 1.621 58.014 56.400 -0.012 0.000 0.799 69 E CB 0.037 29.727 29.700 -0.017 0.000 0.748 69 E HN 0.199 nan 8.360 nan 0.000 0.449 70 V N 1.438 121.347 119.914 -0.009 0.000 2.427 70 V HA -0.227 3.894 4.120 0.002 0.000 0.248 70 V C 2.574 178.671 176.094 0.005 0.000 1.051 70 V CA 1.639 63.938 62.300 -0.002 0.000 1.048 70 V CB -0.805 31.017 31.823 -0.003 0.000 0.666 70 V HN 0.398 nan 8.190 nan 0.000 0.456 71 A N 0.173 122.995 122.820 0.003 0.000 1.902 71 A HA -0.100 4.221 4.320 0.002 0.000 0.217 71 A C 2.426 180.014 177.584 0.007 0.000 1.181 71 A CA 1.960 54.001 52.037 0.008 0.000 0.623 71 A CB -0.709 18.295 19.000 0.006 0.000 0.818 71 A HN 0.563 nan 8.150 nan 0.000 0.443 72 A N -0.247 122.574 122.820 0.003 0.000 1.972 72 A HA -0.136 4.186 4.320 0.002 0.000 0.219 72 A C 1.777 179.362 177.584 0.002 0.000 1.169 72 A CA 1.471 53.509 52.037 0.002 0.000 0.635 72 A CB -0.399 18.601 19.000 -0.001 0.000 0.810 72 A HN 0.627 nan 8.150 nan 0.000 0.446 73 E N -1.407 118.794 120.200 0.002 0.000 2.489 73 E HA 0.240 4.591 4.350 0.002 0.000 0.193 73 E C 1.028 177.632 176.600 0.006 0.000 1.057 73 E CA 0.251 56.652 56.400 0.003 0.000 0.866 73 E CB -0.110 29.591 29.700 0.003 0.000 0.916 73 E HN 0.738 nan 8.360 nan 0.000 0.500 74 G N 1.249 110.054 108.800 0.009 0.000 2.143 74 G HA2 -0.255 3.707 3.960 0.002 0.000 0.249 74 G HA3 -0.255 3.707 3.960 0.002 0.000 0.249 74 G C 0.445 175.361 174.900 0.026 0.000 0.981 74 G CA -0.002 45.105 45.100 0.011 0.000 0.665 74 G HN 0.486 nan 8.290 nan 0.000 0.528 75 G N -0.959 107.860 108.800 0.033 0.000 2.642 75 G HA2 0.749 4.711 3.960 0.002 0.000 0.291 75 G HA3 0.749 4.711 3.960 0.002 0.000 0.291 75 G C -0.097 174.833 174.900 0.050 0.000 1.345 75 G CA 0.422 45.554 45.100 0.053 0.000 1.043 75 G HN 0.902 nan 8.290 nan 0.000 0.528 76 S N -2.027 113.706 115.700 0.055 0.000 2.600 76 S HA 0.699 5.170 4.470 0.002 0.000 0.300 76 S C -0.856 173.752 174.600 0.014 0.000 1.087 76 S CA -0.500 57.721 58.200 0.035 0.000 0.965 76 S CB 2.072 65.295 63.200 0.039 0.000 1.089 76 S HN 0.474 nan 8.310 nan 0.000 0.496 77 V N 2.055 121.961 119.914 -0.013 0.000 2.735 77 V HA 0.647 4.769 4.120 0.002 0.000 0.310 77 V C -1.244 174.796 176.094 -0.089 0.000 1.061 77 V CA -0.665 61.611 62.300 -0.040 0.000 0.913 77 V CB 1.777 33.569 31.823 -0.051 0.000 1.005 77 V HN 0.690 nan 8.190 nan 0.000 0.428 78 L N 4.794 125.948 121.223 -0.114 0.000 2.409 78 L HA 0.725 5.066 4.340 0.002 0.000 0.272 78 L C -1.268 175.490 176.870 -0.186 0.000 0.980 78 L CA -0.390 54.324 54.840 -0.209 0.000 0.826 78 L CB 1.729 43.656 42.059 -0.220 0.000 1.268 78 L HN 0.629 nan 8.230 nan 0.000 0.407 79 L N 5.936 127.007 121.223 -0.253 0.000 2.325 79 L HA 0.718 5.060 4.340 0.002 0.000 0.281 79 L C -1.672 175.064 176.870 -0.225 0.000 1.004 79 L CA -0.088 54.579 54.840 -0.288 0.000 0.823 79 L CB 1.252 43.014 42.059 -0.495 0.000 1.236 79 L HN 0.562 nan 8.230 nan 0.000 0.415 80 L N 3.382 124.571 121.223 -0.057 0.000 2.354 80 L HA 0.685 5.026 4.340 0.002 0.000 0.264 80 L C -0.238 176.784 176.870 0.252 0.000 1.008 80 L CA -0.710 54.188 54.840 0.097 0.000 0.819 80 L CB 2.156 44.264 42.059 0.083 0.000 1.339 80 L HN 0.644 nan 8.230 nan 0.000 0.420 81 S N -0.216 115.638 115.700 0.256 0.000 2.503 81 S HA 0.536 5.007 4.470 0.002 0.000 0.301 81 S C 0.677 175.386 174.600 0.181 0.000 1.087 81 S CA -0.218 58.108 58.200 0.211 0.000 1.042 81 S CB 1.714 64.910 63.200 -0.007 0.000 1.043 81 S HN 0.799 nan 8.310 nan 0.000 0.489 82 G N 1.933 110.857 108.800 0.206 0.000 2.920 82 G HA2 0.481 4.442 3.960 0.002 0.000 0.208 82 G HA3 0.481 4.442 3.960 0.002 0.000 0.208 82 G C 0.908 175.992 174.900 0.306 0.000 1.159 82 G CA 0.217 45.462 45.100 0.242 0.000 0.784 82 G HN 1.568 nan 8.290 nan 0.000 0.535 83 G N -0.102 108.801 108.800 0.172 0.000 2.685 83 G HA2 0.108 4.070 3.960 0.002 0.000 0.387 83 G HA3 0.108 4.070 3.960 0.002 0.000 0.387 83 G C -0.279 174.604 174.900 -0.027 0.000 1.324 83 G CA -0.118 45.015 45.100 0.054 0.000 0.878 83 G HN 0.666 nan 8.290 nan 0.000 0.527 84 D N -1.182 119.097 120.400 -0.202 0.000 2.760 84 D HA -0.132 4.509 4.640 0.002 0.000 0.244 84 D C 1.516 177.649 176.300 -0.278 0.000 1.123 84 D CA 1.012 54.889 54.000 -0.204 0.000 0.719 84 D CB -0.721 40.009 40.800 -0.117 0.000 1.045 84 D HN 0.588 nan 8.370 nan 0.000 0.426 85 I N -0.622 119.875 120.570 -0.122 0.000 2.480 85 I HA -0.049 4.122 4.170 0.002 0.000 0.251 85 I C 1.390 177.499 176.117 -0.013 0.000 1.124 85 I CA 0.748 61.975 61.300 -0.122 0.000 1.444 85 I CB -0.490 37.256 38.000 -0.423 0.000 1.098 85 I HN 0.200 nan 8.210 nan 0.000 0.428 86 N N 2.037 120.786 118.700 0.082 0.000 2.508 86 N HA 0.090 4.831 4.740 0.002 0.000 0.264 86 N C -0.327 175.323 175.510 0.233 0.000 1.216 86 N CA 0.648 53.808 53.050 0.184 0.000 0.943 86 N CB 0.680 39.316 38.487 0.247 0.000 1.113 86 N HN 0.151 nan 8.380 nan 0.000 0.447 87 T N -0.040 114.621 114.554 0.179 0.000 0.564 87 T HA -0.004 4.348 4.350 0.002 0.000 0.771 87 T C 0.787 175.509 174.700 0.036 0.000 0.992 87 T CA 0.700 62.869 62.100 0.114 0.000 4.064 87 T CB -1.133 67.849 68.868 0.191 0.000 2.295 87 T HN 0.977 nan 8.240 nan 0.000 0.396 88 G N 0.723 109.440 108.800 -0.138 0.000 3.246 88 G HA2 0.294 4.255 3.960 0.002 0.000 0.218 88 G HA3 0.294 4.255 3.960 0.002 0.000 0.218 88 G C -0.340 174.311 174.900 -0.415 0.000 0.978 88 G CA 0.129 45.075 45.100 -0.257 0.000 0.825 88 G HN 1.391 nan 8.290 nan 0.000 0.546 89 V N 1.376 121.061 119.914 -0.382 0.000 2.612 89 V HA 0.385 4.506 4.120 0.002 0.000 0.301 89 V C -1.551 174.403 176.094 -0.233 0.000 1.059 89 V CA -1.084 60.971 62.300 -0.408 0.000 0.886 89 V CB 2.462 33.936 31.823 -0.581 0.000 1.007 89 V HN -0.009 nan 8.190 nan 0.000 0.426 90 P HA -0.171 nan 4.420 nan 0.000 0.216 90 P C 1.249 178.495 177.300 -0.089 0.000 1.154 90 P CA 1.346 64.345 63.100 -0.168 0.000 0.865 90 P CB 0.456 32.032 31.700 -0.206 0.000 0.789 91 E N -1.104 119.059 120.200 -0.061 0.000 2.153 91 E HA -0.133 4.218 4.350 0.002 0.000 0.194 91 E C 2.156 178.863 176.600 0.179 0.000 0.988 91 E CA 1.336 57.773 56.400 0.062 0.000 0.811 91 E CB -0.734 29.023 29.700 0.095 0.000 0.746 91 E HN 0.163 nan 8.360 nan 0.000 0.466 92 S N 0.118 115.935 115.700 0.196 0.000 2.356 92 S HA -0.128 4.344 4.470 0.002 0.000 0.219 92 S C 1.344 175.993 174.600 0.082 0.000 1.036 92 S CA 1.034 59.355 58.200 0.201 0.000 0.965 92 S CB -0.211 63.116 63.200 0.211 0.000 0.864 92 S HN 0.120 nan 8.310 nan 0.000 0.471 93 D N 1.682 122.102 120.400 0.032 0.000 2.116 93 D HA -0.129 4.513 4.640 0.002 0.000 0.193 93 D C 1.889 178.219 176.300 0.049 0.000 0.998 93 D CA 1.115 55.134 54.000 0.032 0.000 0.836 93 D CB -0.740 40.041 40.800 -0.030 0.000 0.951 93 D HN 0.401 nan 8.370 nan 0.000 0.449 94 L N 0.224 121.464 121.223 0.029 0.000 2.261 94 L HA -0.167 4.175 4.340 0.002 0.000 0.216 94 L C 1.253 178.172 176.870 0.081 0.000 1.114 94 L CA 1.641 56.508 54.840 0.045 0.000 0.777 94 L CB -0.112 41.962 42.059 0.025 0.000 0.910 94 L HN -0.012 nan 8.230 nan 0.000 0.440 95 Q N -0.949 118.903 119.800 0.087 0.000 2.157 95 Q HA 0.104 4.445 4.340 0.002 0.000 0.229 95 Q C -0.548 175.538 176.000 0.143 0.000 0.827 95 Q CA 0.009 55.876 55.803 0.107 0.000 1.055 95 Q CB 0.539 29.332 28.738 0.091 0.000 1.157 95 Q HN 0.306 nan 8.270 nan 0.000 0.482 96 D N 0.711 121.210 120.400 0.165 0.000 2.751 96 D HA -0.256 4.385 4.640 0.002 0.000 0.233 96 D C 0.359 176.857 176.300 0.330 0.000 1.149 96 D CA 1.122 55.261 54.000 0.231 0.000 0.682 96 D CB -1.163 39.791 40.800 0.256 0.000 1.068 96 D HN 0.581 nan 8.370 nan 0.000 0.429 97 A N -0.705 122.237 122.820 0.203 0.000 2.816 97 A HA -0.386 3.936 4.320 0.002 0.000 0.270 97 A C 1.560 179.229 177.584 0.141 0.000 1.413 97 A CA 2.292 54.440 52.037 0.185 0.000 0.866 97 A CB -1.962 17.221 19.000 0.304 0.000 1.032 97 A HN 0.598 nan 8.150 nan 0.000 0.642 98 E N 0.098 120.216 120.200 -0.136 0.000 2.085 98 E HA -0.181 4.170 4.350 0.002 0.000 0.194 98 E C -0.245 175.804 176.600 -0.918 0.000 0.994 98 E CA 1.358 57.295 56.400 -0.771 0.000 0.801 98 E CB -0.397 28.616 29.700 -1.144 0.000 0.743 98 E HN 0.656 nan 8.360 nan 0.000 0.453 99 P HA -0.143 nan 4.420 nan 0.000 0.217 99 P C 0.314 177.249 177.300 -0.608 0.000 1.150 99 P CA 1.686 63.969 63.100 -1.362 0.000 0.832 99 P CB -0.081 30.494 31.700 -1.875 0.000 0.787 100 D N -0.461 119.717 120.400 -0.370 0.000 2.097 100 D HA -0.138 4.503 4.640 0.002 0.000 0.195 100 D C 1.813 177.951 176.300 -0.270 0.000 0.989 100 D CA 1.106 54.993 54.000 -0.188 0.000 0.827 100 D CB -0.902 39.842 40.800 -0.093 0.000 0.966 100 D HN 0.111 nan 8.370 nan 0.000 0.456 101 F N 0.936 120.833 119.950 -0.087 0.000 2.146 101 F HA -0.005 4.523 4.527 0.002 0.000 0.298 101 F C 2.380 178.183 175.800 0.005 0.000 1.096 101 F CA 1.013 59.027 58.000 0.024 0.000 1.275 101 F CB -0.180 38.905 39.000 0.142 0.000 1.008 101 F HN -0.186 nan 8.300 nan 0.000 0.480 102 R N -0.216 120.295 120.500 0.019 0.000 2.115 102 R HA -0.061 4.281 4.340 0.002 0.000 0.230 102 R C 2.533 178.855 176.300 0.037 0.000 1.111 102 R CA 1.012 57.110 56.100 -0.004 0.000 0.976 102 R CB -1.050 29.170 30.300 -0.133 0.000 0.870 102 R HN 0.390 nan 8.270 nan 0.000 0.445 103 G N 0.977 109.766 108.800 -0.018 0.000 2.402 103 G HA2 -0.242 3.719 3.960 0.002 0.000 0.216 103 G HA3 -0.242 3.719 3.960 0.002 0.000 0.216 103 G C 1.441 176.386 174.900 0.075 0.000 1.162 103 G CA 0.431 45.551 45.100 0.032 0.000 0.777 103 G HN 0.147 nan 8.290 nan 0.000 0.539 104 M N 0.682 120.309 119.600 0.044 0.000 2.213 104 M HA -0.049 4.433 4.480 0.002 0.000 0.263 104 M C 2.338 178.827 176.300 0.315 0.000 1.062 104 M CA 0.879 56.236 55.300 0.095 0.000 1.105 104 M CB -0.302 32.178 32.600 -0.201 0.000 1.385 104 M HN 0.113 nan 8.290 nan 0.000 0.417 105 N N 0.767 119.689 118.700 0.371 0.000 2.104 105 N HA -0.147 4.595 4.740 0.002 0.000 0.190 105 N C 1.593 177.236 175.510 0.221 0.000 1.024 105 N CA 1.207 54.474 53.050 0.362 0.000 0.853 105 N CB -0.455 38.191 38.487 0.265 0.000 1.008 105 N HN 0.222 nan 8.380 nan 0.000 0.424 106 L N 0.806 122.126 121.223 0.161 0.000 2.109 106 L HA 0.011 4.352 4.340 0.002 0.000 0.207 106 L C 1.916 178.843 176.870 0.094 0.000 1.086 106 L CA 1.057 55.964 54.840 0.112 0.000 0.760 106 L CB -0.432 41.682 42.059 0.091 0.000 0.910 106 L HN -0.106 nan 8.230 nan 0.000 0.437 107 V N 0.296 120.278 119.914 0.113 0.000 2.515 107 V HA 0.080 4.202 4.120 0.002 0.000 0.250 107 V C 1.602 177.696 176.094 -0.001 0.000 1.058 107 V CA 1.158 63.495 62.300 0.061 0.000 1.064 107 V CB -1.192 30.699 31.823 0.114 0.000 0.675 107 V HN 0.724 nan 8.190 nan 0.000 0.461 108 G N -1.279 107.562 108.800 0.068 0.000 2.288 108 G HA2 -0.237 3.724 3.960 0.002 0.000 0.205 108 G HA3 -0.237 3.724 3.960 0.002 0.000 0.205 108 G C -0.277 174.577 174.900 -0.077 0.000 1.071 108 G CA -0.468 44.650 45.100 0.029 0.000 0.788 108 G HN 0.356 nan 8.290 nan 0.000 0.491 109 Y N 0.648 120.815 120.300 -0.222 0.000 2.597 109 Y HA 0.195 4.746 4.550 0.003 0.000 0.336 109 Y C 1.655 177.401 175.900 -0.258 0.000 1.216 109 Y CA 0.692 58.533 58.100 -0.430 0.000 1.463 109 Y CB 0.622 38.460 38.460 -1.038 0.000 1.303 109 Y HN 0.221 nan 8.280 nan 0.000 0.576 110 D N 1.198 121.540 120.400 -0.097 0.000 2.277 110 D HA 0.264 4.906 4.640 0.002 0.000 0.209 110 D C 0.128 176.592 176.300 0.275 0.000 0.970 110 D CA 0.905 54.915 54.000 0.017 0.000 0.874 110 D CB 0.458 41.012 40.800 -0.410 0.000 0.982 110 D HN 0.502 nan 8.370 nan 0.000 0.504 111 A N 0.058 122.992 122.820 0.190 0.000 2.597 111 A HA 0.601 4.923 4.320 0.002 0.000 0.292 111 A C -1.651 176.088 177.584 0.259 0.000 1.057 111 A CA -0.633 51.622 52.037 0.364 0.000 0.674 111 A CB 1.665 20.911 19.000 0.411 0.000 1.278 111 A HN 0.030 nan 8.150 nan 0.000 0.416 112 M N 1.383 121.184 119.600 0.335 0.000 2.433 112 M HA 0.707 5.188 4.480 0.002 0.000 0.290 112 M C -0.627 175.793 176.300 0.199 0.000 1.173 112 M CA -0.572 54.876 55.300 0.245 0.000 0.905 112 M CB 1.915 34.708 32.600 0.321 0.000 1.692 112 M HN 1.528 nan 8.290 nan 0.000 0.462 113 A N 4.734 127.651 122.820 0.162 0.000 2.354 113 A HA 0.596 4.917 4.320 0.002 0.000 0.269 113 A C -0.435 177.197 177.584 0.081 0.000 1.109 113 A CA -0.564 51.554 52.037 0.135 0.000 0.800 113 A CB 0.158 19.259 19.000 0.167 0.000 1.045 113 A HN 0.887 nan 8.150 nan 0.000 0.489 114 I N 2.330 122.907 120.570 0.010 0.000 2.471 114 I HA 0.289 4.461 4.170 0.002 0.000 0.286 114 I C 1.215 177.313 176.117 -0.032 0.000 1.079 114 I CA 0.355 61.608 61.300 -0.079 0.000 1.398 114 I CB 0.926 38.768 38.000 -0.263 0.000 1.403 114 I HN 0.727 nan 8.210 nan 0.000 0.530 115 G N 4.100 112.799 108.800 -0.168 0.000 2.521 115 G HA2 0.123 4.084 3.960 0.002 0.000 0.323 115 G HA3 0.123 4.084 3.960 0.002 0.000 0.323 115 G C 0.826 175.668 174.900 -0.097 0.000 1.211 115 G CA -0.622 44.184 45.100 -0.491 0.000 0.979 115 G HN 0.724 nan 8.290 nan 0.000 0.490 116 N N -0.667 117.989 118.700 -0.073 0.000 2.244 116 N HA -0.161 4.581 4.740 0.002 0.000 0.183 116 N C 1.143 176.725 175.510 0.120 0.000 1.016 116 N CA 1.092 54.207 53.050 0.108 0.000 0.866 116 N CB -0.346 38.116 38.487 -0.043 0.000 0.980 116 N HN 0.573 nan 8.380 nan 0.000 0.430 117 H N 0.277 119.471 119.070 0.208 0.000 2.559 117 H HA 0.089 4.646 4.556 0.002 0.000 0.273 117 H C 0.766 176.194 175.328 0.166 0.000 1.000 117 H CA 0.567 56.767 56.048 0.254 0.000 1.195 117 H CB 0.340 30.304 29.762 0.337 0.000 1.368 117 H HN 0.300 nan 8.280 nan 0.000 0.592 118 E N -0.113 120.146 120.200 0.098 0.000 2.478 118 E HA -0.039 4.312 4.350 0.002 0.000 0.198 118 E C 0.409 176.816 176.600 -0.322 0.000 1.046 118 E CA 0.284 56.610 56.400 -0.124 0.000 0.870 118 E CB -0.148 29.366 29.700 -0.309 0.000 0.818 118 E HN 0.328 nan 8.360 nan 0.000 0.527 119 F N -0.373 119.686 119.950 0.182 0.000 2.647 119 F HA 0.180 4.708 4.527 0.003 0.000 0.300 119 F C 1.055 176.990 175.800 0.225 0.000 1.106 119 F CA -0.244 57.889 58.000 0.221 0.000 1.313 119 F CB 0.573 39.866 39.000 0.488 0.000 1.007 119 F HN -0.114 nan 8.300 nan 0.000 0.536 120 D N -0.368 120.231 120.400 0.332 0.000 2.234 120 D HA -0.042 4.600 4.640 0.002 0.000 0.205 120 D C 0.705 177.206 176.300 0.334 0.000 0.962 120 D CA 0.894 55.127 54.000 0.389 0.000 0.855 120 D CB 0.105 41.179 40.800 0.458 0.000 0.951 120 D HN 0.193 nan 8.370 nan 0.000 0.500 121 N N 0.318 119.093 118.700 0.124 0.000 2.483 121 N HA 0.303 5.044 4.740 0.002 0.000 0.285 121 N C -2.557 172.733 175.510 -0.366 0.000 1.210 121 N CA -1.362 51.684 53.050 -0.007 0.000 0.931 121 N CB 1.292 39.780 38.487 0.002 0.000 1.220 121 N HN -0.196 nan 8.380 nan 0.000 0.542 122 P HA 0.003 nan 4.420 nan 0.000 0.269 122 P C 1.094 178.186 177.300 -0.347 0.000 1.217 122 P CA -0.289 62.484 63.100 -0.545 0.000 0.783 122 P CB 0.655 32.233 31.700 -0.203 0.000 0.898 123 L N 2.711 123.771 121.223 -0.271 0.000 2.187 123 L HA -0.180 4.162 4.340 0.002 0.000 0.213 123 L C 2.031 178.817 176.870 -0.140 0.000 1.100 123 L CA 2.520 57.284 54.840 -0.127 0.000 0.765 123 L CB -1.560 40.482 42.059 -0.027 0.000 0.904 123 L HN 0.486 nan 8.230 nan 0.000 0.437 124 T N -4.781 109.687 114.554 -0.144 0.000 2.788 124 T HA -0.166 4.186 4.350 0.002 0.000 0.268 124 T C 1.857 176.435 174.700 -0.204 0.000 1.044 124 T CA 1.445 63.455 62.100 -0.149 0.000 1.139 124 T CB -1.058 67.741 68.868 -0.114 0.000 0.867 124 T HN 0.157 nan 8.240 nan 0.000 0.454 125 V N 1.404 121.196 119.914 -0.204 0.000 2.358 125 V HA -0.048 4.073 4.120 0.002 0.000 0.246 125 V C 2.555 178.440 176.094 -0.348 0.000 1.047 125 V CA 1.468 63.617 62.300 -0.252 0.000 1.035 125 V CB -0.831 30.895 31.823 -0.162 0.000 0.658 125 V HN 0.380 nan 8.190 nan 0.000 0.452 126 L N 0.182 121.232 121.223 -0.288 0.000 2.046 126 L HA -0.100 4.241 4.340 0.002 0.000 0.208 126 L C 2.596 179.271 176.870 -0.325 0.000 1.077 126 L CA 1.875 56.525 54.840 -0.317 0.000 0.747 126 L CB -0.778 41.114 42.059 -0.279 0.000 0.896 126 L HN 0.147 nan 8.230 nan 0.000 0.432 127 R N -0.458 119.890 120.500 -0.252 0.000 2.096 127 R HA -0.177 4.165 4.340 0.002 0.000 0.235 127 R C 2.218 178.286 176.300 -0.386 0.000 1.127 127 R CA 1.423 57.376 56.100 -0.245 0.000 0.968 127 R CB -0.956 29.229 30.300 -0.192 0.000 0.861 127 R HN 0.485 nan 8.270 nan 0.000 0.440 128 Q N 1.253 120.752 119.800 -0.502 0.000 2.124 128 Q HA -0.128 4.213 4.340 0.002 0.000 0.202 128 Q C 1.872 177.154 176.000 -1.197 0.000 0.977 128 Q CA 1.660 56.997 55.803 -0.776 0.000 0.850 128 Q CB -0.053 28.203 28.738 -0.803 0.000 0.901 128 Q HN 0.427 nan 8.270 nan 0.000 0.429 129 Q N -0.331 118.833 119.800 -1.061 0.000 2.119 129 Q HA -0.140 4.201 4.340 0.002 0.000 0.201 129 Q C 1.957 177.469 176.000 -0.813 0.000 0.972 129 Q CA 1.333 56.459 55.803 -1.129 0.000 0.847 129 Q CB -0.007 28.012 28.738 -1.198 0.000 0.903 129 Q HN 0.528 nan 8.270 nan 0.000 0.433 130 E N 0.798 120.654 120.200 -0.574 0.000 2.110 130 E HA -0.163 4.189 4.350 0.002 0.000 0.193 130 E C 1.824 178.234 176.600 -0.316 0.000 0.988 130 E CA 0.809 56.982 56.400 -0.379 0.000 0.804 130 E CB 0.118 29.681 29.700 -0.228 0.000 0.745 130 E HN 0.248 nan 8.360 nan 0.000 0.458 131 K N -0.083 120.110 120.400 -0.346 0.000 2.057 131 K HA -0.130 4.191 4.320 0.002 0.000 0.206 131 K C 1.934 178.489 176.600 -0.076 0.000 1.050 131 K CA 1.013 57.171 56.287 -0.215 0.000 0.935 131 K CB -0.054 32.307 32.500 -0.231 0.000 0.715 131 K HN 0.196 nan 8.250 nan 0.000 0.439 132 W N 1.192 122.359 121.300 -0.221 0.000 2.355 132 W HA 0.047 4.709 4.660 0.002 0.000 0.309 132 W C 1.041 177.446 176.519 -0.190 0.000 1.206 132 W CA -0.035 57.206 57.345 -0.174 0.000 1.284 132 W CB -0.978 28.371 29.460 -0.184 0.000 1.145 132 W HN -0.073 nan 8.180 nan 0.000 0.502 133 A N 1.464 124.221 122.820 -0.105 0.000 2.522 133 A HA 0.046 4.367 4.320 0.002 0.000 0.256 133 A C 1.167 178.541 177.584 -0.350 0.000 1.086 133 A CA 0.150 51.924 52.037 -0.439 0.000 0.763 133 A CB 0.049 18.523 19.000 -0.878 0.000 1.024 133 A HN 0.319 nan 8.150 nan 0.000 0.502 134 K N 1.441 121.738 120.400 -0.172 0.000 2.444 134 K HA 0.123 4.444 4.320 0.002 0.000 0.193 134 K C -0.514 176.160 176.600 0.123 0.000 1.024 134 K CA 0.349 56.658 56.287 0.037 0.000 1.077 134 K CB -0.074 32.522 32.500 0.161 0.000 0.833 134 K HN 0.776 nan 8.250 nan 0.000 0.517 135 F N 0.350 120.392 119.950 0.153 0.000 2.538 135 F HA 0.539 5.068 4.527 0.002 0.000 0.325 135 F C -2.702 173.187 175.800 0.148 0.000 1.066 135 F CA -3.897 54.211 58.000 0.180 0.000 0.946 135 F CB 0.283 39.419 39.000 0.227 0.000 1.199 135 F HN -0.242 nan 8.300 nan 0.000 0.473 136 P HA 0.185 nan 4.420 nan 0.000 0.276 136 P C -1.084 176.348 177.300 0.220 0.000 1.230 136 P CA -0.183 63.014 63.100 0.161 0.000 0.776 136 P CB 1.620 33.410 31.700 0.150 0.000 0.888 137 L N 3.975 125.251 121.223 0.089 0.000 2.257 137 L HA 0.339 4.680 4.340 0.002 0.000 0.290 137 L C 0.412 177.306 176.870 0.039 0.000 1.044 137 L CA 0.092 54.974 54.840 0.071 0.000 0.810 137 L CB 0.332 42.358 42.059 -0.055 0.000 1.193 137 L HN 0.263 nan 8.230 nan 0.000 0.425 138 L N 2.354 123.619 121.223 0.070 0.000 2.331 138 L HA 0.817 5.158 4.340 0.002 0.000 0.275 138 L C 0.150 177.044 176.870 0.040 0.000 1.022 138 L CA -0.487 54.399 54.840 0.076 0.000 0.812 138 L CB 1.896 44.040 42.059 0.141 0.000 1.257 138 L HN 0.582 nan 8.230 nan 0.000 0.435 139 S N 0.199 115.942 115.700 0.073 0.000 2.511 139 S HA 0.449 4.921 4.470 0.002 0.000 0.283 139 S C 0.085 174.747 174.600 0.104 0.000 1.078 139 S CA 0.018 58.272 58.200 0.090 0.000 0.994 139 S CB 1.357 64.583 63.200 0.044 0.000 1.171 139 S HN 0.735 nan 8.310 nan 0.000 0.444 140 A N 3.544 126.428 122.820 0.107 0.000 2.123 140 A HA 0.121 4.442 4.320 0.002 0.000 0.214 140 A C 1.478 179.111 177.584 0.082 0.000 1.152 140 A CA 0.935 53.022 52.037 0.083 0.000 0.728 140 A CB -0.273 18.827 19.000 0.167 0.000 0.814 140 A HN 0.878 nan 8.150 nan 0.000 0.464 141 N N -0.116 118.662 118.700 0.129 0.000 2.203 141 N HA 0.149 4.890 4.740 0.002 0.000 0.207 141 N C -0.264 175.352 175.510 0.177 0.000 1.130 141 N CA -0.109 53.072 53.050 0.218 0.000 0.861 141 N CB 0.104 38.716 38.487 0.209 0.000 1.005 141 N HN 0.390 nan 8.380 nan 0.000 0.507 142 I N 1.595 122.161 120.570 -0.007 0.000 2.304 142 I HA 0.265 4.437 4.170 0.002 0.000 0.291 142 I C -0.801 175.167 176.117 -0.249 0.000 1.018 142 I CA -0.686 60.514 61.300 -0.166 0.000 1.260 142 I CB 0.341 38.315 38.000 -0.044 0.000 1.390 142 I HN -0.124 nan 8.210 nan 0.000 0.475 143 Y N 3.748 123.930 120.300 -0.196 0.000 2.509 143 Y HA 0.344 4.895 4.550 0.003 0.000 0.341 143 Y C 0.213 176.025 175.900 -0.147 0.000 1.038 143 Y CA -0.769 57.248 58.100 -0.138 0.000 1.089 143 Y CB 1.591 39.995 38.460 -0.093 0.000 1.241 143 Y HN 0.452 nan 8.280 nan 0.000 0.468 144 Q N 2.816 122.634 119.800 0.030 0.000 2.314 144 Q HA 0.176 4.517 4.340 0.002 0.000 0.257 144 Q C 0.521 176.541 176.000 0.033 0.000 0.975 144 Q CA -0.211 55.587 55.803 -0.007 0.000 0.933 144 Q CB 0.820 29.531 28.738 -0.045 0.000 1.195 144 Q HN 0.731 nan 8.270 nan 0.000 0.426 145 K N 1.169 121.581 120.400 0.020 0.000 2.032 145 K HA -0.178 4.143 4.320 0.002 0.000 0.209 145 K C 1.884 178.489 176.600 0.008 0.000 1.048 145 K CA 1.876 58.172 56.287 0.015 0.000 0.927 145 K CB -0.007 32.502 32.500 0.014 0.000 0.712 145 K HN 0.733 nan 8.250 nan 0.000 0.441 146 S N 0.001 115.704 115.700 0.005 0.000 2.474 146 S HA -0.107 4.365 4.470 0.002 0.000 0.235 146 S C 1.817 176.416 174.600 -0.003 0.000 0.997 146 S CA 1.574 59.773 58.200 -0.001 0.000 0.949 146 S CB -0.316 62.882 63.200 -0.004 0.000 0.766 146 S HN 0.448 nan 8.310 nan 0.000 0.517 147 T N -4.457 110.098 114.554 0.002 0.000 2.954 147 T HA 0.525 4.876 4.350 0.002 0.000 0.252 147 T C 1.570 176.284 174.700 0.024 0.000 0.983 147 T CA 0.671 62.773 62.100 0.003 0.000 0.941 147 T CB -0.097 68.765 68.868 -0.009 0.000 1.141 147 T HN 1.200 nan 8.240 nan 0.000 0.500 148 G N 1.658 110.488 108.800 0.050 0.000 2.143 148 G HA2 -0.210 3.752 3.960 0.002 0.000 0.248 148 G HA3 -0.210 3.752 3.960 0.002 0.000 0.248 148 G C -0.307 174.733 174.900 0.233 0.000 0.991 148 G CA 0.282 45.432 45.100 0.084 0.000 0.689 148 G HN 0.704 nan 8.290 nan 0.000 0.522 149 E N -0.233 120.073 120.200 0.177 0.000 2.212 149 E HA 0.528 4.879 4.350 0.002 0.000 0.270 149 E C 0.460 176.998 176.600 -0.103 0.000 0.956 149 E CA -1.076 55.383 56.400 0.099 0.000 0.825 149 E CB 1.356 31.043 29.700 -0.022 0.000 1.167 149 E HN 0.268 nan 8.360 nan 0.000 0.400 150 R N 1.240 121.504 120.500 -0.393 0.000 2.590 150 R HA 0.047 4.389 4.340 0.002 0.000 0.274 150 R C 0.747 176.784 176.300 -0.438 0.000 1.061 150 R CA -0.298 55.399 56.100 -0.671 0.000 1.081 150 R CB 0.487 30.439 30.300 -0.580 0.000 0.984 150 R HN 0.349 nan 8.270 nan 0.000 0.448 151 L N 2.587 123.516 121.223 -0.489 0.000 2.446 151 L HA 0.172 4.514 4.340 0.002 0.000 0.219 151 L C 0.136 176.353 176.870 -1.088 0.000 1.116 151 L CA 1.243 55.636 54.840 -0.745 0.000 0.844 151 L CB -0.434 41.088 42.059 -0.896 0.000 0.970 151 L HN 0.480 nan 8.230 nan 0.000 0.457 152 F N -1.095 118.750 119.950 -0.175 0.000 2.675 152 F HA 0.401 4.929 4.527 0.002 0.000 0.324 152 F C 0.623 176.312 175.800 -0.184 0.000 1.106 152 F CA -1.338 56.576 58.000 -0.144 0.000 0.970 152 F CB 0.747 39.696 39.000 -0.085 0.000 1.385 152 F HN -0.394 nan 8.300 nan 0.000 0.489 153 K N 2.724 123.146 120.400 0.037 0.000 2.401 153 K HA 0.134 4.455 4.320 0.002 0.000 0.278 153 K C -1.880 174.658 176.600 -0.103 0.000 1.018 153 K CA -1.199 55.011 56.287 -0.128 0.000 0.981 153 K CB 0.714 33.138 32.500 -0.125 0.000 0.933 153 K HN 0.258 nan 8.250 nan 0.000 0.477 154 P HA -0.063 nan 4.420 nan 0.000 0.221 154 P C -0.599 176.779 177.300 0.130 0.000 1.155 154 P CA 1.053 64.109 63.100 -0.074 0.000 0.812 154 P CB 0.162 31.781 31.700 -0.135 0.000 0.801 155 W N -0.841 120.488 121.300 0.048 0.000 2.988 155 W HA 0.747 5.408 4.660 0.002 0.000 0.355 155 W C -2.221 174.313 176.519 0.025 0.000 1.233 155 W CA -1.493 55.883 57.345 0.053 0.000 1.176 155 W CB 0.479 29.964 29.460 0.041 0.000 1.477 155 W HN -0.030 nan 8.180 nan 0.000 0.582 156 A N 1.567 124.630 122.820 0.404 0.000 2.486 156 A HA 0.811 5.133 4.320 0.002 0.000 0.300 156 A C -1.880 175.705 177.584 0.001 0.000 1.048 156 A CA -0.975 51.135 52.037 0.121 0.000 0.696 156 A CB 1.226 20.243 19.000 0.028 0.000 1.278 156 A HN 0.776 nan 8.150 nan 0.000 0.405 157 L N 1.266 122.354 121.223 -0.226 0.000 2.325 157 L HA 0.719 5.061 4.340 0.002 0.000 0.278 157 L C -1.225 175.271 176.870 -0.623 0.000 1.023 157 L CA -0.387 54.314 54.840 -0.233 0.000 0.811 157 L CB 1.421 43.444 42.059 -0.059 0.000 1.249 157 L HN 0.686 nan 8.230 nan 0.000 0.431 158 F N 0.882 120.856 119.950 0.041 0.000 2.565 158 F HA 0.482 5.010 4.527 0.002 0.000 0.313 158 F C -0.137 175.661 175.800 -0.004 0.000 1.091 158 F CA -0.857 57.158 58.000 0.026 0.000 0.915 158 F CB 1.994 41.007 39.000 0.023 0.000 1.208 158 F HN 0.211 nan 8.300 nan 0.000 0.453 159 K N 3.081 123.582 120.400 0.168 0.000 2.235 159 K HA 0.616 4.938 4.320 0.002 0.000 0.266 159 K C -0.740 175.916 176.600 0.093 0.000 0.980 159 K CA -1.002 55.337 56.287 0.087 0.000 0.849 159 K CB 1.509 34.044 32.500 0.058 0.000 1.098 159 K HN 0.394 nan 8.250 nan 0.000 0.445 160 R N 3.481 124.010 120.500 0.048 0.000 2.500 160 R HA 0.197 4.538 4.340 0.002 0.000 0.299 160 R C -0.095 176.235 176.300 0.050 0.000 1.038 160 R CA -0.375 55.752 56.100 0.045 0.000 0.903 160 R CB 1.319 31.630 30.300 0.018 0.000 1.177 160 R HN 0.888 nan 8.270 nan 0.000 0.455 161 Q N 0.679 120.530 119.800 0.085 0.000 1.555 161 Q HA -0.262 4.080 4.340 0.002 0.000 0.344 161 Q C -0.033 176.031 176.000 0.108 0.000 0.887 161 Q CA 2.050 57.932 55.803 0.133 0.000 0.829 161 Q CB -0.816 28.076 28.738 0.257 0.000 3.625 161 Q HN 0.781 nan 8.270 nan 0.000 0.622 162 D N 0.848 121.333 120.400 0.143 0.000 2.559 162 D HA 0.292 4.934 4.640 0.002 0.000 0.234 162 D C -0.204 176.081 176.300 -0.026 0.000 1.226 162 D CA 0.078 54.126 54.000 0.079 0.000 0.830 162 D CB -0.073 40.807 40.800 0.134 0.000 1.028 162 D HN 0.217 nan 8.370 nan 0.000 0.492 163 L N 0.330 121.477 121.223 -0.126 0.000 2.322 163 L HA 0.405 4.746 4.340 0.002 0.000 0.279 163 L C 0.286 177.062 176.870 -0.157 0.000 1.036 163 L CA -0.924 53.751 54.840 -0.274 0.000 0.807 163 L CB 2.175 43.913 42.059 -0.534 0.000 1.226 163 L HN -0.137 nan 8.230 nan 0.000 0.433 164 K N 3.918 124.227 120.400 -0.152 0.000 2.293 164 K HA 0.575 4.896 4.320 0.002 0.000 0.267 164 K C -1.232 175.312 176.600 -0.093 0.000 1.010 164 K CA -0.426 55.812 56.287 -0.082 0.000 0.875 164 K CB 0.968 33.429 32.500 -0.065 0.000 1.106 164 K HN 0.515 nan 8.250 nan 0.000 0.450 165 I N 3.402 123.961 120.570 -0.018 0.000 2.404 165 I HA 0.375 4.546 4.170 0.002 0.000 0.293 165 I C -0.292 175.887 176.117 0.103 0.000 0.992 165 I CA -0.855 60.449 61.300 0.006 0.000 1.149 165 I CB 1.977 39.989 38.000 0.020 0.000 1.315 165 I HN 0.658 nan 8.210 nan 0.000 0.446 166 A N 6.210 129.057 122.820 0.045 0.000 2.324 166 A HA 0.813 5.134 4.320 0.002 0.000 0.330 166 A C -0.788 176.880 177.584 0.141 0.000 1.165 166 A CA -0.508 51.567 52.037 0.065 0.000 0.813 166 A CB 1.357 20.291 19.000 -0.110 0.000 1.197 166 A HN 0.449 nan 8.150 nan 0.000 0.484 167 V N 4.078 124.148 119.914 0.260 0.000 2.407 167 V HA 0.334 4.455 4.120 0.002 0.000 0.291 167 V C -0.259 176.004 176.094 0.280 0.000 1.018 167 V CA -0.130 62.326 62.300 0.260 0.000 0.842 167 V CB 1.080 33.112 31.823 0.349 0.000 0.996 167 V HN 0.774 nan 8.190 nan 0.000 0.426 168 I N 3.483 124.184 120.570 0.219 0.000 2.488 168 I HA 0.669 4.840 4.170 0.002 0.000 0.299 168 I C 0.898 177.137 176.117 0.204 0.000 0.984 168 I CA -0.121 61.327 61.300 0.248 0.000 1.250 168 I CB 1.695 39.810 38.000 0.191 0.000 1.389 168 I HN 0.695 nan 8.210 nan 0.000 0.488 169 G N 6.007 114.927 108.800 0.200 0.000 2.452 169 G HA2 0.781 4.742 3.960 0.002 0.000 0.324 169 G HA3 0.781 4.742 3.960 0.002 0.000 0.324 169 G C -1.159 173.831 174.900 0.150 0.000 1.214 169 G CA -0.447 44.751 45.100 0.163 0.000 0.947 169 G HN 0.431 nan 8.290 nan 0.000 0.478 170 L N 0.767 122.076 121.223 0.144 0.000 2.445 170 L HA 0.559 4.901 4.340 0.002 0.000 0.262 170 L C -0.402 176.562 176.870 0.156 0.000 0.974 170 L CA -0.783 54.143 54.840 0.143 0.000 0.822 170 L CB 2.964 45.099 42.059 0.127 0.000 1.339 170 L HN 0.452 nan 8.230 nan 0.000 0.409 171 T N -0.195 114.462 114.554 0.172 0.000 2.841 171 T HA 0.241 4.593 4.350 0.002 0.000 0.283 171 T C -0.115 174.663 174.700 0.131 0.000 1.000 171 T CA -0.427 61.788 62.100 0.191 0.000 0.977 171 T CB 1.831 70.865 68.868 0.275 0.000 0.979 171 T HN 0.594 nan 8.240 nan 0.000 0.446 172 T N 2.148 116.720 114.554 0.030 0.000 2.905 172 T HA -0.015 4.336 4.350 0.002 0.000 0.299 172 T C 1.015 175.640 174.700 -0.125 0.000 1.024 172 T CA -0.242 61.817 62.100 -0.068 0.000 1.151 172 T CB 0.025 68.762 68.868 -0.219 0.000 0.987 172 T HN 0.661 nan 8.240 nan 0.000 0.535 173 D N 2.849 123.202 120.400 -0.078 0.000 2.352 173 D HA 0.001 4.642 4.640 0.002 0.000 0.232 173 D C 0.956 177.100 176.300 -0.260 0.000 1.055 173 D CA 0.115 54.047 54.000 -0.113 0.000 0.891 173 D CB -0.012 40.794 40.800 0.009 0.000 0.897 173 D HN 0.497 nan 8.370 nan 0.000 0.529 174 D N 0.164 120.418 120.400 -0.244 0.000 2.347 174 D HA -0.041 4.600 4.640 0.002 0.000 0.215 174 D C 1.468 177.563 176.300 -0.341 0.000 0.976 174 D CA 0.578 54.456 54.000 -0.203 0.000 0.884 174 D CB 0.042 40.806 40.800 -0.060 0.000 0.915 174 D HN 0.134 nan 8.370 nan 0.000 0.526 175 T N 0.200 114.379 114.554 -0.626 0.000 2.737 175 T HA -0.199 4.153 4.350 0.002 0.000 0.269 175 T C 1.945 176.086 174.700 -0.931 0.000 1.040 175 T CA 1.424 63.018 62.100 -0.842 0.000 1.142 175 T CB -0.180 67.827 68.868 -1.436 0.000 0.861 175 T HN 0.205 nan 8.240 nan 0.000 0.456 176 A N 0.917 123.085 122.820 -1.087 0.000 2.070 176 A HA -0.074 4.247 4.320 0.002 0.000 0.220 176 A C 2.203 179.667 177.584 -0.200 0.000 1.159 176 A CA 1.683 53.290 52.037 -0.717 0.000 0.656 176 A CB -0.374 18.401 19.000 -0.375 0.000 0.800 176 A HN 0.503 nan 8.150 nan 0.000 0.453 177 K N -0.047 120.252 120.400 -0.168 0.000 2.240 177 K HA 0.135 4.456 4.320 0.002 0.000 0.202 177 K C 1.743 178.370 176.600 0.046 0.000 1.053 177 K CA 0.853 57.109 56.287 -0.052 0.000 0.973 177 K CB -0.141 32.332 32.500 -0.045 0.000 0.924 177 K HN 0.549 nan 8.250 nan 0.000 0.477 178 I N -1.381 119.233 120.570 0.073 0.000 3.428 178 I HA 0.231 4.402 4.170 0.002 0.000 0.286 178 I C 0.762 177.054 176.117 0.291 0.000 1.287 178 I CA -0.128 61.293 61.300 0.202 0.000 1.396 178 I CB -0.039 38.027 38.000 0.110 0.000 1.062 178 I HN -0.031 nan 8.210 nan 0.000 0.471 179 G N 1.157 110.137 108.800 0.301 0.000 2.491 179 G HA2 0.165 4.127 3.960 0.002 0.000 0.327 179 G HA3 0.165 4.127 3.960 0.002 0.000 0.327 179 G C -0.795 174.434 174.900 0.550 0.000 1.189 179 G CA -0.690 44.677 45.100 0.445 0.000 0.956 179 G HN 0.160 nan 8.290 nan 0.000 0.491 180 N N 0.793 119.710 118.700 0.360 0.000 2.416 180 N HA 0.105 4.847 4.740 0.002 0.000 0.271 180 N C -1.428 173.943 175.510 -0.231 0.000 1.245 180 N CA -1.472 51.612 53.050 0.058 0.000 0.940 180 N CB 1.578 39.925 38.487 -0.234 0.000 1.175 180 N HN -0.014 nan 8.380 nan 0.000 0.483 181 P HA -0.180 nan 4.420 nan 0.000 0.218 181 P C 0.669 177.884 177.300 -0.143 0.000 1.146 181 P CA 1.346 64.426 63.100 -0.033 0.000 0.813 181 P CB 0.168 31.814 31.700 -0.089 0.000 0.778 182 E N -2.202 117.835 120.200 -0.272 0.000 2.409 182 E HA -0.192 4.160 4.350 0.002 0.000 0.198 182 E C 0.914 177.418 176.600 -0.160 0.000 1.024 182 E CA 0.903 57.174 56.400 -0.216 0.000 0.861 182 E CB -0.819 28.741 29.700 -0.232 0.000 0.788 182 E HN 0.310 nan 8.360 nan 0.000 0.521 183 Y N -0.556 119.530 120.300 -0.357 0.000 2.517 183 Y HA 0.137 4.689 4.550 0.003 0.000 0.281 183 Y C 0.777 176.437 175.900 -0.400 0.000 1.125 183 Y CA -0.333 57.503 58.100 -0.440 0.000 1.283 183 Y CB 0.108 38.174 38.460 -0.657 0.000 1.042 183 Y HN 0.050 nan 8.280 nan 0.000 0.547 184 F N -0.793 119.278 119.950 0.203 0.000 2.647 184 F HA 0.173 4.701 4.527 0.002 0.000 0.300 184 F C 1.976 177.821 175.800 0.074 0.000 1.106 184 F CA -0.192 57.889 58.000 0.134 0.000 1.313 184 F CB -1.197 37.897 39.000 0.155 0.000 1.007 184 F HN -0.072 nan 8.300 nan 0.000 0.536 185 T N -2.843 111.809 114.554 0.162 0.000 2.778 185 T HA -0.258 4.093 4.350 0.002 0.000 0.269 185 T C 1.205 175.959 174.700 0.089 0.000 1.050 185 T CA 2.016 64.177 62.100 0.101 0.000 1.137 185 T CB -0.160 68.740 68.868 0.054 0.000 0.860 185 T HN 0.175 nan 8.240 nan 0.000 0.468 186 D N 0.018 120.475 120.400 0.094 0.000 2.623 186 D HA 0.370 5.011 4.640 0.002 0.000 0.252 186 D C -0.606 175.726 176.300 0.053 0.000 1.294 186 D CA -0.528 53.508 54.000 0.059 0.000 0.824 186 D CB -0.092 40.728 40.800 0.034 0.000 1.070 186 D HN 0.495 nan 8.370 nan 0.000 0.487 187 I N 0.880 121.503 120.570 0.088 0.000 2.608 187 I HA 0.382 4.554 4.170 0.002 0.000 0.295 187 I C -0.438 175.653 176.117 -0.044 0.000 1.049 187 I CA -0.967 60.335 61.300 0.003 0.000 1.063 187 I CB 2.426 40.454 38.000 0.047 0.000 1.248 187 I HN -0.068 nan 8.210 nan 0.000 0.424 188 E N 5.605 125.714 120.200 -0.152 0.000 2.272 188 E HA 0.460 4.811 4.350 0.002 0.000 0.269 188 E C -1.905 174.563 176.600 -0.220 0.000 0.877 188 E CA -0.591 55.758 56.400 -0.084 0.000 0.755 188 E CB 1.789 31.484 29.700 -0.008 0.000 1.192 188 E HN 0.367 nan 8.360 nan 0.000 0.422 189 F N 3.230 123.131 119.950 -0.082 0.000 2.308 189 F HA 0.433 4.962 4.527 0.002 0.000 0.370 189 F C 0.776 176.567 175.800 -0.016 0.000 1.100 189 F CA -0.680 57.284 58.000 -0.060 0.000 1.108 189 F CB 1.020 39.917 39.000 -0.173 0.000 1.293 189 F HN 0.266 nan 8.300 nan 0.000 0.478 190 R N 1.617 122.211 120.500 0.156 0.000 2.637 190 R HA 0.257 4.598 4.340 0.002 0.000 0.269 190 R C 0.086 176.445 176.300 0.098 0.000 1.089 190 R CA -0.880 55.275 56.100 0.091 0.000 1.177 190 R CB 0.648 30.977 30.300 0.048 0.000 1.091 190 R HN 0.472 nan 8.270 nan 0.000 0.540 191 K N 2.483 122.914 120.400 0.051 0.000 2.430 191 K HA -0.028 4.293 4.320 0.002 0.000 0.280 191 K C -1.743 174.895 176.600 0.063 0.000 1.063 191 K CA -0.848 55.464 56.287 0.041 0.000 1.071 191 K CB 0.434 32.942 32.500 0.013 0.000 0.899 191 K HN 0.322 nan 8.250 nan 0.000 0.473 192 P HA -0.271 nan 4.420 nan 0.000 0.214 192 P C 1.040 178.381 177.300 0.070 0.000 1.163 192 P CA 1.393 64.544 63.100 0.085 0.000 0.889 192 P CB 0.180 31.926 31.700 0.077 0.000 0.790 193 A N -0.023 122.824 122.820 0.045 0.000 1.917 193 A HA -0.258 4.064 4.320 0.002 0.000 0.219 193 A C 2.025 179.632 177.584 0.039 0.000 1.182 193 A CA 2.329 54.388 52.037 0.037 0.000 0.633 193 A CB -1.513 17.498 19.000 0.018 0.000 0.819 193 A HN 0.139 nan 8.150 nan 0.000 0.448 194 D N -0.961 119.461 120.400 0.036 0.000 2.144 194 D HA -0.107 4.534 4.640 0.002 0.000 0.200 194 D C 1.892 178.226 176.300 0.056 0.000 0.978 194 D CA 1.515 55.536 54.000 0.035 0.000 0.833 194 D CB -0.327 40.486 40.800 0.021 0.000 0.961 194 D HN 0.560 nan 8.370 nan 0.000 0.470 195 E N 1.193 121.441 120.200 0.080 0.000 2.110 195 E HA -0.113 4.239 4.350 0.002 0.000 0.193 195 E C 1.924 178.594 176.600 0.116 0.000 0.988 195 E CA 1.239 57.710 56.400 0.119 0.000 0.804 195 E CB -0.232 29.565 29.700 0.163 0.000 0.745 195 E HN 0.175 nan 8.360 nan 0.000 0.458 196 A N 0.802 123.680 122.820 0.096 0.000 1.902 196 A HA -0.237 4.085 4.320 0.002 0.000 0.217 196 A C 2.001 179.623 177.584 0.064 0.000 1.181 196 A CA 1.860 53.949 52.037 0.086 0.000 0.623 196 A CB -0.435 18.607 19.000 0.070 0.000 0.818 196 A HN 0.210 nan 8.150 nan 0.000 0.443 197 K N -0.446 119.985 120.400 0.050 0.000 2.009 197 K HA -0.130 4.191 4.320 0.002 0.000 0.210 197 K C 1.820 178.444 176.600 0.039 0.000 1.049 197 K CA 1.402 57.710 56.287 0.034 0.000 0.929 197 K CB -0.418 32.098 32.500 0.026 0.000 0.714 197 K HN 0.298 nan 8.250 nan 0.000 0.440 198 L N 0.817 122.074 121.223 0.057 0.000 2.012 198 L HA -0.163 4.178 4.340 0.002 0.000 0.210 198 L C 2.458 179.377 176.870 0.082 0.000 1.073 198 L CA 1.502 56.383 54.840 0.069 0.000 0.748 198 L CB -1.318 40.795 42.059 0.090 0.000 0.891 198 L HN 0.004 nan 8.230 nan 0.000 0.431 199 V N -0.087 119.897 119.914 0.116 0.000 2.343 199 V HA -0.267 3.854 4.120 0.002 0.000 0.247 199 V C 2.559 178.642 176.094 -0.018 0.000 1.051 199 V CA 1.383 63.762 62.300 0.132 0.000 1.036 199 V CB -0.262 31.703 31.823 0.237 0.000 0.654 199 V HN 0.288 nan 8.190 nan 0.000 0.451 200 I N -0.350 120.214 120.570 -0.011 0.000 2.179 200 I HA -0.323 3.848 4.170 0.002 0.000 0.242 200 I C 2.669 178.741 176.117 -0.074 0.000 1.088 200 I CA 1.945 63.210 61.300 -0.057 0.000 1.357 200 I CB -0.407 37.579 38.000 -0.023 0.000 1.051 200 I HN 0.386 nan 8.210 nan 0.000 0.409 201 Q N 0.915 120.694 119.800 -0.034 0.000 2.050 201 Q HA -0.287 4.054 4.340 0.002 0.000 0.202 201 Q C 2.181 178.153 176.000 -0.047 0.000 0.980 201 Q CA 1.883 57.669 55.803 -0.030 0.000 0.840 201 Q CB -0.073 28.663 28.738 -0.003 0.000 0.898 201 Q HN 0.466 nan 8.270 nan 0.000 0.424 202 E N 0.026 120.203 120.200 -0.039 0.000 2.085 202 E HA -0.201 4.150 4.350 0.002 0.000 0.194 202 E C 2.151 178.654 176.600 -0.162 0.000 0.994 202 E CA 1.034 57.410 56.400 -0.040 0.000 0.801 202 E CB -0.078 29.655 29.700 0.055 0.000 0.743 202 E HN 0.405 nan 8.360 nan 0.000 0.453 203 L N 0.416 121.450 121.223 -0.315 0.000 2.046 203 L HA -0.230 4.111 4.340 0.002 0.000 0.208 203 L C 2.575 179.303 176.870 -0.237 0.000 1.077 203 L CA 1.314 55.889 54.840 -0.441 0.000 0.747 203 L CB -0.267 41.465 42.059 -0.546 0.000 0.896 203 L HN 0.198 nan 8.230 nan 0.000 0.432 204 Q N -0.716 118.992 119.800 -0.154 0.000 2.291 204 Q HA -0.214 4.128 4.340 0.002 0.000 0.205 204 Q C 2.032 177.992 176.000 -0.068 0.000 0.970 204 Q CA 1.105 56.852 55.803 -0.093 0.000 0.876 204 Q CB 0.034 28.735 28.738 -0.062 0.000 0.935 204 Q HN 0.622 nan 8.270 nan 0.000 0.455 205 Q N -0.834 118.927 119.800 -0.065 0.000 2.297 205 Q HA -0.029 4.312 4.340 0.002 0.000 0.203 205 Q C 1.990 177.970 176.000 -0.033 0.000 0.931 205 Q CA 1.512 57.293 55.803 -0.037 0.000 0.885 205 Q CB 0.456 29.182 28.738 -0.020 0.000 0.991 205 Q HN 0.420 nan 8.270 nan 0.000 0.498 206 T N -1.379 113.146 114.554 -0.049 0.000 3.053 206 T HA 0.069 4.420 4.350 0.002 0.000 0.236 206 T C 1.659 176.336 174.700 -0.039 0.000 0.996 206 T CA 0.239 62.325 62.100 -0.025 0.000 1.185 206 T CB 0.029 68.906 68.868 0.014 0.000 0.892 206 T HN -0.072 nan 8.240 nan 0.000 0.432 207 E N 1.481 121.627 120.200 -0.090 0.000 2.250 207 E HA 0.136 4.487 4.350 0.002 0.000 0.192 207 E C 0.203 176.752 176.600 -0.085 0.000 0.986 207 E CA 0.203 56.550 56.400 -0.090 0.000 0.849 207 E CB -0.135 29.471 29.700 -0.157 0.000 0.797 207 E HN 0.622 nan 8.360 nan 0.000 0.482 208 K N 1.319 121.663 120.400 -0.094 0.000 3.419 208 K HA -0.131 4.190 4.320 0.002 0.000 0.272 208 K C -2.405 174.155 176.600 -0.067 0.000 0.973 208 K CA 0.275 56.521 56.287 -0.068 0.000 0.749 208 K CB -1.337 31.136 32.500 -0.045 0.000 1.403 208 K HN 0.237 nan 8.250 nan 0.000 0.456 209 P HA 0.011 nan 4.420 nan 0.000 0.271 209 P C 0.027 177.294 177.300 -0.056 0.000 1.218 209 P CA -0.046 63.001 63.100 -0.088 0.000 0.780 209 P CB 0.737 32.365 31.700 -0.120 0.000 0.901 210 D N 1.126 121.477 120.400 -0.083 0.000 2.194 210 D HA 0.056 4.697 4.640 0.002 0.000 0.204 210 D C 0.764 177.032 176.300 -0.053 0.000 0.964 210 D CA 1.366 55.327 54.000 -0.065 0.000 0.846 210 D CB 0.361 40.965 40.800 -0.326 0.000 0.962 210 D HN 0.386 nan 8.370 nan 0.000 0.490 211 I N 0.669 121.165 120.570 -0.123 0.000 2.686 211 I HA 0.321 4.492 4.170 0.002 0.000 0.295 211 I C -0.803 175.268 176.117 -0.076 0.000 1.114 211 I CA -0.629 60.613 61.300 -0.097 0.000 1.038 211 I CB 3.012 40.903 38.000 -0.183 0.000 1.238 211 I HN -0.307 nan 8.210 nan 0.000 0.420 212 I N 6.354 126.890 120.570 -0.056 0.000 2.466 212 I HA 0.519 4.690 4.170 0.002 0.000 0.289 212 I C -0.812 175.291 176.117 -0.023 0.000 1.026 212 I CA -0.450 60.827 61.300 -0.039 0.000 1.078 212 I CB 2.033 40.008 38.000 -0.043 0.000 1.249 212 I HN 0.333 nan 8.210 nan 0.000 0.429 213 I N 4.604 125.176 120.570 0.004 0.000 2.646 213 I HA 0.673 4.844 4.170 0.002 0.000 0.299 213 I C -0.162 175.990 176.117 0.059 0.000 1.036 213 I CA -0.697 60.613 61.300 0.018 0.000 1.074 213 I CB 2.295 40.298 38.000 0.004 0.000 1.258 213 I HN 0.607 nan 8.210 nan 0.000 0.430 214 A N 4.225 127.083 122.820 0.063 0.000 2.303 214 A HA 0.856 5.177 4.320 0.002 0.000 0.320 214 A C -0.463 177.175 177.584 0.090 0.000 1.192 214 A CA -0.548 51.542 52.037 0.088 0.000 0.821 214 A CB 1.181 20.229 19.000 0.080 0.000 1.188 214 A HN 0.763 nan 8.150 nan 0.000 0.492 215 A N 2.514 125.404 122.820 0.117 0.000 2.260 215 A HA 0.754 5.076 4.320 0.002 0.000 0.308 215 A C 0.358 178.022 177.584 0.134 0.000 1.254 215 A CA 0.202 52.313 52.037 0.123 0.000 0.874 215 A CB 0.107 19.195 19.000 0.147 0.000 1.153 215 A HN 1.639 nan 8.150 nan 0.000 0.527 216 T N -0.596 114.035 114.554 0.129 0.000 2.903 216 T HA 0.544 4.896 4.350 0.002 0.000 0.299 216 T C -0.833 173.965 174.700 0.164 0.000 1.093 216 T CA -0.478 61.704 62.100 0.137 0.000 1.002 216 T CB 1.424 70.350 68.868 0.096 0.000 1.127 216 T HN 0.630 nan 8.240 nan 0.000 0.488 217 H N 1.517 120.637 119.070 0.082 0.000 2.340 217 H HA 0.599 5.156 4.556 0.002 0.000 0.233 217 H C 0.299 175.636 175.328 0.015 0.000 1.435 217 H CA -0.567 55.529 56.048 0.081 0.000 1.389 217 H CB -0.008 29.793 29.762 0.065 0.000 1.491 217 H HN 0.669 nan 8.280 nan 0.000 0.518 218 M N 0.714 120.275 119.600 -0.065 0.000 2.379 218 M HA 0.316 4.797 4.480 0.002 0.000 0.268 218 M C 0.458 176.809 176.300 0.085 0.000 1.185 218 M CA 0.667 55.968 55.300 0.001 0.000 1.121 218 M CB 1.344 33.968 32.600 0.041 0.000 1.608 218 M HN 0.591 nan 8.290 nan 0.000 0.569 219 G N 0.983 109.764 108.800 -0.032 0.000 2.788 219 G HA2 -0.150 3.812 3.960 0.002 0.000 0.686 219 G HA3 -0.150 3.812 3.960 0.002 0.000 0.686 219 G C -1.359 173.244 174.900 -0.495 0.000 1.147 219 G CA -0.867 44.080 45.100 -0.255 0.000 0.755 219 G HN 0.474 nan 8.290 nan 0.000 0.634 220 H N 1.574 120.273 119.070 -0.618 0.000 2.504 220 H HA 0.638 5.195 4.556 0.002 0.000 0.322 220 H C -1.087 173.877 175.328 -0.608 0.000 1.055 220 H CA -0.424 55.351 56.048 -0.455 0.000 1.231 220 H CB 0.820 30.442 29.762 -0.233 0.000 1.417 220 H HN 0.441 nan 8.280 nan 0.000 0.472 221 Y N 2.799 122.897 120.300 -0.336 0.000 2.331 221 Y HA 0.127 4.679 4.550 0.003 0.000 0.334 221 Y C 0.205 175.972 175.900 -0.222 0.000 0.960 221 Y CA -1.197 56.824 58.100 -0.132 0.000 1.130 221 Y CB 0.966 39.403 38.460 -0.039 0.000 1.164 221 Y HN 0.562 nan 8.280 nan 0.000 0.458 222 D N 2.839 123.309 120.400 0.116 0.000 2.658 222 D HA -0.117 4.524 4.640 0.002 0.000 0.230 222 D C 0.964 177.284 176.300 0.033 0.000 1.118 222 D CA 1.242 55.307 54.000 0.109 0.000 0.848 222 D CB 0.165 41.030 40.800 0.107 0.000 1.160 222 D HN 0.724 nan 8.370 nan 0.000 0.497 223 N N 1.711 120.416 118.700 0.010 0.000 2.732 223 N HA -0.259 4.482 4.740 0.002 0.000 0.250 223 N C 0.833 176.333 175.510 -0.017 0.000 1.097 223 N CA 2.159 55.206 53.050 -0.006 0.000 0.812 223 N CB -0.931 37.555 38.487 -0.003 0.000 1.148 223 N HN 0.776 nan 8.380 nan 0.000 0.572 224 G N -0.957 107.836 108.800 -0.011 0.000 2.143 224 G HA2 -0.315 3.646 3.960 0.002 0.000 0.248 224 G HA3 -0.315 3.646 3.960 0.002 0.000 0.248 224 G C -0.218 174.670 174.900 -0.020 0.000 0.991 224 G CA 0.358 45.489 45.100 0.050 0.000 0.689 224 G HN 0.631 nan 8.290 nan 0.000 0.522 225 E N 0.543 120.707 120.200 -0.060 0.000 2.148 225 E HA 0.288 4.639 4.350 0.002 0.000 0.308 225 E C 1.437 177.873 176.600 -0.273 0.000 1.278 225 E CA 0.081 56.357 56.400 -0.206 0.000 1.368 225 E CB -0.221 29.415 29.700 -0.106 0.000 1.229 225 E HN 0.862 nan 8.360 nan 0.000 0.494 226 H N 0.263 119.196 119.070 -0.229 0.000 2.491 226 H HA 0.092 4.649 4.556 0.002 0.000 0.290 226 H C 1.382 176.428 175.328 -0.471 0.000 1.050 226 H CA 0.385 56.037 56.048 -0.661 0.000 1.309 226 H CB -0.082 29.368 29.762 -0.520 0.000 1.392 226 H HN 0.425 nan 8.280 nan 0.000 0.554 227 G N 0.510 109.065 108.800 -0.409 0.000 2.591 227 G HA2 -0.452 3.509 3.960 0.002 0.000 0.298 227 G HA3 -0.452 3.509 3.960 0.002 0.000 0.298 227 G C 1.595 176.472 174.900 -0.038 0.000 1.195 227 G CA 1.847 46.828 45.100 -0.198 0.000 0.989 227 G HN 0.996 nan 8.290 nan 0.000 0.551 228 S N 0.965 116.634 115.700 -0.052 0.000 2.522 228 S HA 0.088 4.560 4.470 0.002 0.000 0.227 228 S C 0.908 175.496 174.600 -0.019 0.000 0.986 228 S CA 1.045 59.232 58.200 -0.020 0.000 0.929 228 S CB -0.218 62.963 63.200 -0.031 0.000 0.769 228 S HN 0.684 nan 8.310 nan 0.000 0.529 229 N N 2.381 121.041 118.700 -0.066 0.000 2.503 229 N HA 0.456 5.197 4.740 0.002 0.000 0.267 229 N C 0.026 175.481 175.510 -0.092 0.000 1.214 229 N CA 0.305 53.306 53.050 -0.082 0.000 0.959 229 N CB 0.803 39.160 38.487 -0.217 0.000 1.142 229 N HN 0.415 nan 8.380 nan 0.000 0.455 230 A N 2.080 124.861 122.820 -0.064 0.000 2.483 230 A HA 0.244 4.566 4.320 0.002 0.000 0.238 230 A C -1.998 175.442 177.584 -0.239 0.000 1.070 230 A CA -0.695 51.262 52.037 -0.134 0.000 0.770 230 A CB -0.560 18.400 19.000 -0.067 0.000 1.008 230 A HN 0.425 nan 8.150 nan 0.000 0.497 231 P HA 0.240 nan 4.420 nan 0.000 0.267 231 P C 0.594 177.869 177.300 -0.041 0.000 1.200 231 P CA 0.762 63.540 63.100 -0.537 0.000 0.772 231 P CB 0.835 32.254 31.700 -0.468 0.000 0.855 232 G N 1.108 110.006 108.800 0.163 0.000 3.135 232 G HA2 0.124 4.085 3.960 0.002 0.000 0.159 232 G HA3 0.124 4.085 3.960 0.002 0.000 0.159 232 G C 0.379 175.322 174.900 0.072 0.000 1.244 232 G CA -0.278 44.926 45.100 0.174 0.000 0.965 232 G HN 0.293 nan 8.290 nan 0.000 0.599 233 D N -0.457 119.953 120.400 0.017 0.000 2.104 233 D HA -0.138 4.504 4.640 0.002 0.000 0.194 233 D C 2.730 179.024 176.300 -0.010 0.000 0.994 233 D CA 1.171 55.173 54.000 0.003 0.000 0.830 233 D CB -0.382 40.420 40.800 0.003 0.000 0.959 233 D HN 0.044 nan 8.370 nan 0.000 0.452 234 V N 1.031 120.907 119.914 -0.063 0.000 2.261 234 V HA -0.227 3.894 4.120 0.002 0.000 0.246 234 V C 2.505 178.599 176.094 0.001 0.000 1.047 234 V CA 1.844 64.108 62.300 -0.059 0.000 1.015 234 V CB -0.513 31.228 31.823 -0.137 0.000 0.642 234 V HN 0.188 nan 8.190 nan 0.000 0.446 235 E N -0.445 119.783 120.200 0.045 0.000 2.160 235 E HA -0.281 4.071 4.350 0.002 0.000 0.195 235 E C 2.203 178.820 176.600 0.028 0.000 0.991 235 E CA 1.731 58.165 56.400 0.056 0.000 0.810 235 E CB -0.128 29.636 29.700 0.107 0.000 0.742 235 E HN 0.607 nan 8.360 nan 0.000 0.466 236 M N -0.063 119.552 119.600 0.024 0.000 2.132 236 M HA -0.104 4.378 4.480 0.002 0.000 0.263 236 M C 2.219 178.528 176.300 0.014 0.000 1.065 236 M CA 1.703 57.014 55.300 0.020 0.000 1.122 236 M CB -0.054 32.562 32.600 0.027 0.000 1.365 236 M HN 0.157 nan 8.290 nan 0.000 0.411 237 A N 0.867 123.693 122.820 0.009 0.000 1.940 237 A HA -0.198 4.123 4.320 0.002 0.000 0.219 237 A C 2.093 179.671 177.584 -0.010 0.000 1.176 237 A CA 1.896 53.932 52.037 -0.001 0.000 0.631 237 A CB -0.706 18.289 19.000 -0.008 0.000 0.814 237 A HN 0.630 nan 8.150 nan 0.000 0.446 238 R N -0.825 119.671 120.500 -0.007 0.000 2.115 238 R HA 0.027 4.368 4.340 0.002 0.000 0.226 238 R C 2.208 178.505 176.300 -0.005 0.000 1.100 238 R CA 1.039 57.133 56.100 -0.010 0.000 0.980 238 R CB -0.295 30.003 30.300 -0.005 0.000 0.875 238 R HN 0.497 nan 8.270 nan 0.000 0.445 239 A N 0.614 123.435 122.820 0.002 0.000 2.123 239 A HA 0.139 4.461 4.320 0.002 0.000 0.214 239 A C 0.912 178.498 177.584 0.002 0.000 1.152 239 A CA 0.206 52.245 52.037 0.003 0.000 0.728 239 A CB 0.035 19.040 19.000 0.008 0.000 0.814 239 A HN 0.056 nan 8.150 nan 0.000 0.464 240 L N -0.192 121.032 121.223 0.002 0.000 2.454 240 L HA 0.316 4.658 4.340 0.002 0.000 0.256 240 L C -2.340 174.526 176.870 -0.006 0.000 1.136 240 L CA -2.315 52.526 54.840 0.002 0.000 0.804 240 L CB 0.335 42.397 42.059 0.005 0.000 1.181 240 L HN -0.047 nan 8.230 nan 0.000 0.469 241 P HA 0.043 nan 4.420 nan 0.000 0.268 241 P C -0.833 176.458 177.300 -0.016 0.000 1.205 241 P CA -0.232 62.861 63.100 -0.010 0.000 0.771 241 P CB 0.609 32.304 31.700 -0.008 0.000 0.858 242 A N 3.443 126.250 122.820 -0.022 0.000 2.567 242 A HA 0.358 4.679 4.320 0.002 0.000 0.240 242 A C 1.597 179.163 177.584 -0.029 0.000 1.053 242 A CA 0.694 52.712 52.037 -0.032 0.000 0.755 242 A CB -1.392 17.587 19.000 -0.035 0.000 0.978 242 A HN 0.898 nan 8.150 nan 0.000 0.507 243 G N 1.783 110.560 108.800 -0.038 0.000 2.212 243 G HA2 -0.311 3.651 3.960 0.002 0.000 0.267 243 G HA3 -0.311 3.651 3.960 0.002 0.000 0.267 243 G C 1.089 175.984 174.900 -0.009 0.000 1.002 243 G CA 1.432 46.517 45.100 -0.026 0.000 0.729 243 G HN 2.107 nan 8.290 nan 0.000 0.517 244 S N -1.464 114.230 115.700 -0.009 0.000 2.515 244 S HA 0.393 4.865 4.470 0.002 0.000 0.231 244 S C 0.848 175.446 174.600 -0.003 0.000 0.987 244 S CA 0.645 58.842 58.200 -0.006 0.000 0.936 244 S CB 0.333 63.529 63.200 -0.007 0.000 0.766 244 S HN 0.567 nan 8.310 nan 0.000 0.528 245 L N 0.200 121.425 121.223 0.003 0.000 2.408 245 L HA 0.626 4.967 4.340 0.002 0.000 0.268 245 L C 1.011 177.896 176.870 0.025 0.000 0.986 245 L CA -0.469 54.377 54.840 0.011 0.000 0.820 245 L CB 1.844 43.916 42.059 0.022 0.000 1.303 245 L HN 0.100 nan 8.230 nan 0.000 0.411 246 A N 4.000 126.827 122.820 0.013 0.000 1.897 246 A HA 0.098 4.419 4.320 0.002 0.000 0.215 246 A C 0.586 178.271 177.584 0.169 0.000 1.181 246 A CA 1.259 53.317 52.037 0.034 0.000 0.620 246 A CB 0.206 19.114 19.000 -0.153 0.000 0.821 246 A HN 0.720 nan 8.150 nan 0.000 0.443 247 M N -1.814 117.856 119.600 0.117 0.000 2.643 247 M HA 0.531 5.013 4.480 0.002 0.000 0.276 247 M C -2.442 173.914 176.300 0.094 0.000 1.200 247 M CA -0.569 54.846 55.300 0.190 0.000 0.863 247 M CB 1.294 34.060 32.600 0.278 0.000 1.711 247 M HN 0.025 nan 8.290 nan 0.000 0.492 248 I N 3.121 123.741 120.570 0.083 0.000 2.382 248 I HA 0.384 4.555 4.170 0.002 0.000 0.286 248 I C -0.844 175.277 176.117 0.006 0.000 1.002 248 I CA -0.918 60.411 61.300 0.049 0.000 1.135 248 I CB 1.899 39.931 38.000 0.052 0.000 1.288 248 I HN 0.361 nan 8.210 nan 0.000 0.448 249 V N 6.592 126.502 119.914 -0.007 0.000 2.353 249 V HA 0.420 4.542 4.120 0.002 0.000 0.264 249 V C 0.850 176.959 176.094 0.025 0.000 1.049 249 V CA -0.110 62.147 62.300 -0.071 0.000 0.896 249 V CB 0.624 32.421 31.823 -0.044 0.000 1.025 249 V HN 0.903 nan 8.190 nan 0.000 0.475 250 G N 3.028 111.845 108.800 0.028 0.000 2.671 250 G HA2 0.886 4.847 3.960 0.002 0.000 0.275 250 G HA3 0.886 4.847 3.960 0.002 0.000 0.275 250 G C 0.026 174.988 174.900 0.103 0.000 1.368 250 G CA -0.064 45.075 45.100 0.065 0.000 1.044 250 G HN 1.063 nan 8.290 nan 0.000 0.543 251 G N -3.327 105.503 108.800 0.051 0.000 2.450 251 G HA2 0.482 4.444 3.960 0.002 0.000 0.273 251 G HA3 0.482 4.444 3.960 0.002 0.000 0.273 251 G C 0.077 174.923 174.900 -0.090 0.000 1.221 251 G CA 1.066 46.200 45.100 0.055 0.000 0.900 251 G HN 1.640 nan 8.290 nan 0.000 0.483 252 H N -1.036 117.824 119.070 -0.350 0.000 4.919 252 H HA -0.338 4.219 4.556 0.002 0.000 0.068 252 H C 2.303 177.611 175.328 -0.034 0.000 0.578 252 H CA 4.053 59.866 56.048 -0.392 0.000 1.013 252 H CB -1.421 27.892 29.762 -0.748 0.000 0.454 252 H HN 1.202 nan 8.280 nan 0.000 0.774 253 S N 1.142 116.745 115.700 -0.162 0.000 2.481 253 S HA -0.041 4.431 4.470 0.002 0.000 0.231 253 S C 0.830 175.394 174.600 -0.061 0.000 0.996 253 S CA 1.069 59.163 58.200 -0.176 0.000 0.942 253 S CB -0.060 62.985 63.200 -0.258 0.000 0.768 253 S HN 0.725 nan 8.310 nan 0.000 0.520 254 Q N 1.411 121.215 119.800 0.006 0.000 2.455 254 Q HA -0.114 4.228 4.340 0.002 0.000 0.343 254 Q C -1.443 174.588 176.000 0.052 0.000 1.458 254 Q CA 0.722 56.582 55.803 0.095 0.000 0.923 254 Q CB -1.516 27.295 28.738 0.121 0.000 1.149 254 Q HN 0.675 nan 8.270 nan 0.000 0.357 255 D N 0.789 121.158 120.400 -0.050 0.000 2.671 255 D HA 0.389 5.031 4.640 0.002 0.000 0.232 255 D C -2.651 173.502 176.300 -0.245 0.000 1.114 255 D CA -1.542 52.316 54.000 -0.237 0.000 0.858 255 D CB 2.178 42.854 40.800 -0.206 0.000 1.544 255 D HN -0.081 nan 8.370 nan 0.000 0.471 256 P HA 0.130 nan 4.420 nan 0.000 0.291 256 P C -0.069 176.973 177.300 -0.429 0.000 1.340 256 P CA -0.435 62.407 63.100 -0.429 0.000 0.799 256 P CB 0.934 32.244 31.700 -0.651 0.000 0.917 257 V N 5.186 124.890 119.914 -0.350 0.000 2.326 257 V HA 0.066 4.187 4.120 0.002 0.000 0.249 257 V C 0.278 176.141 176.094 -0.384 0.000 1.114 257 V CA 0.378 62.426 62.300 -0.418 0.000 1.028 257 V CB -0.620 30.935 31.823 -0.446 0.000 1.170 257 V HN 0.638 nan 8.190 nan 0.000 0.494 258 c N 6.780 125.154 118.600 -0.377 0.000 2.381 258 c HA 0.553 5.124 4.570 0.002 0.000 0.328 258 c C 0.104 174.088 174.090 -0.176 0.000 1.190 258 c CA -1.216 54.938 56.329 -0.292 0.000 1.369 258 c CB 1.071 43.311 42.510 -0.450 0.000 2.029 258 c HN 0.648 nan 8.230 nan 0.000 0.448 259 M N 2.495 122.026 119.600 -0.115 0.000 2.162 259 M HA 0.258 4.739 4.480 0.002 0.000 0.356 259 M C 1.049 177.338 176.300 -0.020 0.000 1.303 259 M CA -0.302 54.961 55.300 -0.061 0.000 1.116 259 M CB 0.354 32.936 32.600 -0.031 0.000 1.632 259 M HN 0.845 nan 8.290 nan 0.000 0.469 260 A N 2.812 125.627 122.820 -0.010 0.000 2.021 260 A HA 0.559 4.880 4.320 0.002 0.000 0.216 260 A C 0.878 178.466 177.584 0.008 0.000 1.163 260 A CA 1.138 53.179 52.037 0.006 0.000 0.676 260 A CB 0.167 19.171 19.000 0.007 0.000 0.818 260 A HN 0.897 nan 8.150 nan 0.000 0.453 261 A N -1.246 121.578 122.820 0.007 0.000 2.586 261 A HA 0.525 4.847 4.320 0.002 0.000 0.291 261 A C -0.648 176.943 177.584 0.011 0.000 1.062 261 A CA -0.438 51.605 52.037 0.009 0.000 0.666 261 A CB 0.044 19.049 19.000 0.008 0.000 1.281 261 A HN 0.189 nan 8.150 nan 0.000 0.421 262 E N 1.304 121.510 120.200 0.010 0.000 2.694 262 E HA 0.004 4.355 4.350 0.002 0.000 0.250 262 E C 0.009 176.619 176.600 0.017 0.000 0.963 262 E CA 0.981 57.386 56.400 0.010 0.000 0.949 262 E CB -0.112 29.589 29.700 0.002 0.000 0.911 262 E HN 0.547 nan 8.360 nan 0.000 0.500 263 N N 2.878 121.596 118.700 0.029 0.000 2.741 263 N HA -0.173 4.569 4.740 0.002 0.000 0.251 263 N C -1.304 174.240 175.510 0.057 0.000 1.112 263 N CA 1.040 54.119 53.050 0.048 0.000 0.750 263 N CB -0.402 38.101 38.487 0.025 0.000 1.119 263 N HN 0.424 nan 8.380 nan 0.000 0.561 264 K N 1.079 121.506 120.400 0.045 0.000 2.604 264 K HA 0.288 4.609 4.320 0.002 0.000 0.247 264 K C 0.190 176.799 176.600 0.015 0.000 0.956 264 K CA -0.355 55.953 56.287 0.036 0.000 0.896 264 K CB 1.715 34.227 32.500 0.020 0.000 1.131 264 K HN 0.067 nan 8.250 nan 0.000 0.440 265 K N 1.750 122.155 120.400 0.009 0.000 2.319 265 K HA 0.097 4.418 4.320 0.002 0.000 0.265 265 K C 0.429 177.006 176.600 -0.037 0.000 1.000 265 K CA -0.100 56.151 56.287 -0.060 0.000 0.943 265 K CB 0.742 33.178 32.500 -0.108 0.000 0.950 265 K HN 0.382 nan 8.250 nan 0.000 0.485 266 Q N 0.998 120.771 119.800 -0.044 0.000 2.395 266 Q HA 0.070 4.412 4.340 0.002 0.000 0.271 266 Q C -0.429 175.569 176.000 -0.003 0.000 1.026 266 Q CA -0.080 55.724 55.803 0.001 0.000 0.900 266 Q CB 0.968 29.744 28.738 0.062 0.000 1.266 266 Q HN 0.238 nan 8.270 nan 0.000 0.430 267 V N 3.023 122.941 119.914 0.007 0.000 2.532 267 V HA 0.037 4.159 4.120 0.002 0.000 0.295 267 V C -0.226 175.875 176.094 0.011 0.000 1.041 267 V CA -0.252 62.048 62.300 0.000 0.000 0.926 267 V CB 1.619 33.441 31.823 -0.000 0.000 0.992 267 V HN 0.873 nan 8.190 nan 0.000 0.457 268 D N 2.521 122.925 120.400 0.007 0.000 2.697 268 D HA -0.241 4.401 4.640 0.002 0.000 0.238 268 D C -0.291 176.021 176.300 0.020 0.000 1.152 268 D CA 0.712 54.719 54.000 0.012 0.000 0.666 268 D CB -0.765 40.035 40.800 -0.001 0.000 1.037 268 D HN 0.604 nan 8.370 nan 0.000 0.423 269 Y N 0.025 120.280 120.300 -0.075 0.000 2.712 269 Y HA 0.156 4.707 4.550 0.002 0.000 0.333 269 Y C 0.012 175.880 175.900 -0.054 0.000 1.225 269 Y CA 0.059 58.109 58.100 -0.083 0.000 1.499 269 Y CB 0.647 39.025 38.460 -0.137 0.000 1.288 269 Y HN -0.042 nan 8.280 nan 0.000 0.575 270 V N 9.289 128.662 119.914 -0.902 0.000 2.370 270 V HA 0.289 4.410 4.120 0.002 0.000 0.279 270 V C -2.051 173.458 176.094 -0.975 0.000 1.029 270 V CA -2.151 59.736 62.300 -0.690 0.000 0.870 270 V CB 1.122 32.724 31.823 -0.367 0.000 0.984 270 V HN 0.752 nan 8.190 nan 0.000 0.451 271 P HA 0.154 nan 4.420 nan 0.000 0.266 271 P C 1.023 178.006 177.300 -0.528 0.000 1.193 271 P CA 1.387 64.152 63.100 -0.558 0.000 0.770 271 P CB 0.524 31.656 31.700 -0.947 0.000 0.836 272 G N 0.721 109.419 108.800 -0.171 0.000 2.179 272 G HA2 -0.220 3.741 3.960 0.002 0.000 0.260 272 G HA3 -0.220 3.741 3.960 0.002 0.000 0.260 272 G C 0.334 175.197 174.900 -0.062 0.000 0.977 272 G CA 0.519 45.578 45.100 -0.068 0.000 0.641 272 G HN 0.860 nan 8.290 nan 0.000 0.533 273 T N -1.202 113.272 114.554 -0.133 0.000 2.944 273 T HA 0.687 5.038 4.350 0.002 0.000 0.284 273 T C -2.359 172.387 174.700 0.077 0.000 1.010 273 T CA -1.583 60.473 62.100 -0.074 0.000 1.025 273 T CB 2.270 71.032 68.868 -0.176 0.000 1.079 273 T HN 0.039 nan 8.240 nan 0.000 0.516 274 P HA 0.231 nan 4.420 nan 0.000 0.265 274 P C -0.796 176.604 177.300 0.166 0.000 1.187 274 P CA -0.408 62.744 63.100 0.087 0.000 0.766 274 P CB 0.169 31.898 31.700 0.049 0.000 0.820 275 c N 4.645 123.306 118.600 0.101 0.000 2.383 275 c HA 0.419 4.990 4.570 0.002 0.000 0.330 275 c C -0.236 173.895 174.090 0.068 0.000 1.168 275 c CA -0.727 55.623 56.329 0.035 0.000 1.374 275 c CB -0.464 42.003 42.510 -0.071 0.000 2.014 275 c HN 0.583 nan 8.230 nan 0.000 0.439 276 K N 8.151 128.548 120.400 -0.005 0.000 2.264 276 K HA 0.484 4.805 4.320 0.002 0.000 0.277 276 K C -2.210 174.327 176.600 -0.106 0.000 1.067 276 K CA -1.332 54.942 56.287 -0.022 0.000 0.900 276 K CB 1.177 33.686 32.500 0.015 0.000 1.124 276 K HN 0.542 nan 8.250 nan 0.000 0.469 277 P HA -0.018 nan 4.420 nan 0.000 0.270 277 P C -0.675 176.629 177.300 0.006 0.000 1.223 277 P CA -0.198 62.719 63.100 -0.306 0.000 0.785 277 P CB 0.682 31.984 31.700 -0.663 0.000 0.923 278 D N 0.262 120.655 120.400 -0.012 0.000 2.344 278 D HA 0.159 4.801 4.640 0.002 0.000 0.244 278 D C -0.584 175.788 176.300 0.120 0.000 1.134 278 D CA 0.166 54.206 54.000 0.067 0.000 0.930 278 D CB 0.533 41.401 40.800 0.114 0.000 1.175 278 D HN 0.280 nan 8.370 nan 0.000 0.437 279 Q N 1.638 121.425 119.800 -0.021 0.000 2.275 279 Q HA 0.259 4.601 4.340 0.002 0.000 0.258 279 Q C -1.662 174.223 176.000 -0.192 0.000 0.960 279 Q CA -0.789 54.863 55.803 -0.252 0.000 0.801 279 Q CB 1.089 29.391 28.738 -0.727 0.000 1.302 279 Q HN 0.322 nan 8.270 nan 0.000 0.433 280 Q N 2.799 122.506 119.800 -0.156 0.000 2.304 280 Q HA 0.253 4.595 4.340 0.002 0.000 0.270 280 Q C -0.685 175.246 176.000 -0.114 0.000 1.035 280 Q CA -0.559 55.180 55.803 -0.106 0.000 0.781 280 Q CB 1.748 30.456 28.738 -0.050 0.000 1.261 280 Q HN 0.885 nan 8.270 nan 0.000 0.444 281 N N 1.400 120.036 118.700 -0.107 0.000 2.740 281 N HA -0.250 4.491 4.740 0.002 0.000 0.248 281 N C 0.598 176.038 175.510 -0.117 0.000 1.062 281 N CA 1.917 54.913 53.050 -0.091 0.000 0.704 281 N CB -1.012 37.441 38.487 -0.058 0.000 0.968 281 N HN 1.088 nan 8.380 nan 0.000 0.547 282 G N -1.532 107.157 108.800 -0.184 0.000 2.184 282 G HA2 -0.299 3.662 3.960 0.002 0.000 0.264 282 G HA3 -0.299 3.662 3.960 0.002 0.000 0.264 282 G C 0.183 174.924 174.900 -0.264 0.000 0.975 282 G CA 0.520 45.484 45.100 -0.227 0.000 0.642 282 G HN 0.581 nan 8.290 nan 0.000 0.536 283 I N -0.006 120.429 120.570 -0.225 0.000 2.339 283 I HA 0.418 4.589 4.170 0.002 0.000 0.290 283 I C 0.368 176.403 176.117 -0.137 0.000 0.994 283 I CA -1.073 60.148 61.300 -0.133 0.000 1.191 283 I CB 0.779 38.755 38.000 -0.040 0.000 1.343 283 I HN 0.110 nan 8.210 nan 0.000 0.458 284 W N 6.832 128.147 121.300 0.026 0.000 2.218 284 W HA 0.461 5.123 4.660 0.003 0.000 0.326 284 W C -0.144 176.354 176.519 -0.036 0.000 1.276 284 W CA -0.209 57.130 57.345 -0.011 0.000 1.210 284 W CB 0.581 30.054 29.460 0.021 0.000 1.143 284 W HN 0.221 nan 8.180 nan 0.000 0.563 285 I N 4.510 125.196 120.570 0.193 0.000 2.447 285 I HA 0.368 4.540 4.170 0.002 0.000 0.287 285 I C -0.261 175.836 176.117 -0.034 0.000 1.023 285 I CA -1.183 60.167 61.300 0.083 0.000 1.083 285 I CB 0.923 38.999 38.000 0.126 0.000 1.245 285 I HN 0.151 nan 8.210 nan 0.000 0.434 286 V N 2.800 122.648 119.914 -0.110 0.000 3.046 286 V HA 0.761 4.883 4.120 0.002 0.000 0.316 286 V C -0.886 175.170 176.094 -0.063 0.000 1.104 286 V CA -0.514 61.667 62.300 -0.199 0.000 1.006 286 V CB 2.002 33.606 31.823 -0.365 0.000 1.058 286 V HN 0.905 nan 8.190 nan 0.000 0.440 287 Q N 1.024 120.876 119.800 0.087 0.000 2.503 287 Q HA 0.675 5.016 4.340 0.002 0.000 0.268 287 Q C -1.072 175.028 176.000 0.167 0.000 0.982 287 Q CA -0.109 55.790 55.803 0.161 0.000 0.907 287 Q CB 2.145 30.897 28.738 0.023 0.000 1.467 287 Q HN 1.380 nan 8.270 nan 0.000 0.394 288 A N 3.144 126.070 122.820 0.176 0.000 2.827 288 A HA 0.287 4.609 4.320 0.002 0.000 0.300 288 A C 0.318 178.017 177.584 0.192 0.000 1.237 288 A CA 0.783 52.855 52.037 0.059 0.000 0.964 288 A CB -0.670 18.297 19.000 -0.054 0.000 1.143 288 A HN 1.121 nan 8.150 nan 0.000 0.554 289 H N 0.297 119.368 119.070 0.001 0.000 1.456 289 H HA -0.301 4.257 4.556 0.002 0.000 0.090 289 H C 0.290 175.608 175.328 -0.017 0.000 0.611 289 H CA 2.064 58.111 56.048 -0.002 0.000 1.901 289 H CB -0.902 28.914 29.762 0.090 0.000 2.256 289 H HN 0.722 nan 8.280 nan 0.000 0.961 290 E N -1.295 118.866 120.200 -0.065 0.000 2.411 290 E HA 0.111 4.462 4.350 0.002 0.000 0.279 290 E C -0.906 175.543 176.600 -0.252 0.000 1.132 290 E CA -0.180 56.105 56.400 -0.192 0.000 0.876 290 E CB 0.377 29.751 29.700 -0.544 0.000 1.335 290 E HN 0.482 nan 8.360 nan 0.000 0.436 291 W N 0.181 121.284 121.300 -0.328 0.000 4.233 291 W HA -0.196 4.465 4.660 0.002 0.000 0.328 291 W C 1.092 177.272 176.519 -0.565 0.000 1.212 291 W CA 2.115 59.067 57.345 -0.654 0.000 0.752 291 W CB -2.361 26.310 29.460 -1.315 0.000 2.277 291 W HN 1.665 nan 8.180 nan 0.000 1.465 292 G N -1.072 107.719 108.800 -0.016 0.000 2.153 292 G HA2 -0.424 3.537 3.960 0.002 0.000 0.252 292 G HA3 -0.424 3.537 3.960 0.002 0.000 0.252 292 G C 1.324 176.181 174.900 -0.072 0.000 0.994 292 G CA 0.773 45.901 45.100 0.046 0.000 0.698 292 G HN 0.430 nan 8.290 nan 0.000 0.521 293 K N -1.515 118.747 120.400 -0.230 0.000 2.148 293 K HA 0.093 4.414 4.320 0.002 0.000 0.204 293 K C 0.470 176.789 176.600 -0.468 0.000 1.050 293 K CA 1.134 57.212 56.287 -0.349 0.000 0.942 293 K CB 0.059 32.239 32.500 -0.534 0.000 0.724 293 K HN 0.583 nan 8.250 nan 0.000 0.446 294 Y N -1.396 118.896 120.300 -0.013 0.000 2.581 294 Y HA 0.368 4.919 4.550 0.002 0.000 0.345 294 Y C -0.609 175.248 175.900 -0.073 0.000 1.036 294 Y CA -1.335 56.746 58.100 -0.032 0.000 1.042 294 Y CB 1.710 40.141 38.460 -0.048 0.000 1.289 294 Y HN -0.443 nan 8.280 nan 0.000 0.471 295 V N 2.077 122.033 119.914 0.071 0.000 2.350 295 V HA 0.556 4.678 4.120 0.002 0.000 0.285 295 V C 0.337 176.313 176.094 -0.196 0.000 1.014 295 V CA -0.824 61.434 62.300 -0.069 0.000 0.831 295 V CB 1.096 32.879 31.823 -0.065 0.000 1.000 295 V HN 0.944 nan 8.190 nan 0.000 0.433 296 G N 3.987 112.508 108.800 -0.465 0.000 2.483 296 G HA2 0.476 4.437 3.960 0.002 0.000 0.248 296 G HA3 0.476 4.437 3.960 0.002 0.000 0.248 296 G C -0.231 174.480 174.900 -0.315 0.000 1.248 296 G CA -0.338 44.406 45.100 -0.594 0.000 0.838 296 G HN 0.687 nan 8.290 nan 0.000 0.566 297 R N 1.336 121.592 120.500 -0.407 0.000 2.500 297 R HA 0.538 4.880 4.340 0.002 0.000 0.299 297 R C -0.721 175.390 176.300 -0.315 0.000 1.038 297 R CA -0.617 55.331 56.100 -0.253 0.000 0.903 297 R CB 1.155 31.312 30.300 -0.239 0.000 1.177 297 R HN 0.608 nan 8.270 nan 0.000 0.455 298 A N 4.260 127.073 122.820 -0.012 0.000 2.256 298 A HA 0.345 4.666 4.320 0.002 0.000 0.317 298 A C -1.005 176.493 177.584 -0.145 0.000 1.318 298 A CA -0.720 51.303 52.037 -0.024 0.000 0.894 298 A CB 0.710 19.782 19.000 0.120 0.000 1.165 298 A HN 0.707 nan 8.150 nan 0.000 0.525 299 D N 2.407 122.645 120.400 -0.270 0.000 2.317 299 D HA 0.516 5.158 4.640 0.002 0.000 0.234 299 D C -0.806 175.343 176.300 -0.251 0.000 1.112 299 D CA 0.643 54.550 54.000 -0.154 0.000 0.840 299 D CB 0.883 41.611 40.800 -0.119 0.000 1.078 299 D HN 0.351 nan 8.370 nan 0.000 0.486 300 F N 0.619 120.569 119.950 -0.001 0.000 2.575 300 F HA 0.365 4.893 4.527 0.002 0.000 0.330 300 F C 0.856 176.695 175.800 0.064 0.000 1.056 300 F CA -0.799 57.218 58.000 0.027 0.000 0.964 300 F CB 1.878 40.909 39.000 0.052 0.000 1.258 300 F HN -0.002 nan 8.300 nan 0.000 0.484 301 E N 1.271 121.667 120.200 0.327 0.000 2.256 301 E HA 0.310 4.662 4.350 0.002 0.000 0.268 301 E C -1.825 174.940 176.600 0.275 0.000 0.877 301 E CA -0.757 55.790 56.400 0.245 0.000 0.757 301 E CB 3.013 32.799 29.700 0.144 0.000 1.183 301 E HN 0.413 nan 8.360 nan 0.000 0.418 302 F N 2.847 122.868 119.950 0.118 0.000 2.482 302 F HA 0.558 5.086 4.527 0.002 0.000 0.331 302 F C -0.734 175.098 175.800 0.055 0.000 1.115 302 F CA -0.613 57.406 58.000 0.032 0.000 0.955 302 F CB 1.234 40.191 39.000 -0.072 0.000 1.136 302 F HN 0.341 nan 8.300 nan 0.000 0.452 303 R N 4.866 124.975 120.500 -0.652 0.000 2.508 303 R HA 0.262 4.604 4.340 0.002 0.000 0.283 303 R C -0.959 174.900 176.300 -0.735 0.000 1.120 303 R CA -0.513 55.318 56.100 -0.449 0.000 0.958 303 R CB 0.700 30.904 30.300 -0.160 0.000 1.215 303 R HN 0.802 nan 8.270 nan 0.000 0.427 304 N N 2.933 121.190 118.700 -0.739 0.000 2.707 304 N HA -0.221 4.520 4.740 0.002 0.000 0.253 304 N C 0.637 175.823 175.510 -0.541 0.000 0.998 304 N CA 1.949 54.684 53.050 -0.526 0.000 0.751 304 N CB -1.024 37.388 38.487 -0.124 0.000 0.920 304 N HN 1.105 nan 8.380 nan 0.000 0.539 305 G N -1.089 107.077 108.800 -1.057 0.000 2.205 305 G HA2 -0.367 3.595 3.960 0.002 0.000 0.261 305 G HA3 -0.367 3.595 3.960 0.002 0.000 0.261 305 G C -0.120 174.487 174.900 -0.488 0.000 0.980 305 G CA 0.656 45.462 45.100 -0.490 0.000 0.632 305 G HN 0.684 nan 8.290 nan 0.000 0.533 306 E N 0.321 120.130 120.200 -0.652 0.000 2.249 306 E HA 0.629 4.980 4.350 0.002 0.000 0.280 306 E C 0.148 176.583 176.600 -0.275 0.000 1.016 306 E CA -0.785 55.418 56.400 -0.328 0.000 0.830 306 E CB 0.323 29.892 29.700 -0.220 0.000 1.081 306 E HN 0.077 nan 8.360 nan 0.000 0.395 307 M N 3.972 123.562 119.600 -0.016 0.000 2.078 307 M HA 0.319 4.801 4.480 0.002 0.000 0.320 307 M C -1.094 175.378 176.300 0.287 0.000 0.969 307 M CA -0.409 54.986 55.300 0.158 0.000 0.929 307 M CB 1.389 34.077 32.600 0.148 0.000 1.504 307 M HN 0.397 nan 8.290 nan 0.000 0.419 308 K N 3.478 124.072 120.400 0.323 0.000 2.358 308 K HA 0.499 4.820 4.320 0.002 0.000 0.260 308 K C -0.636 176.133 176.600 0.281 0.000 0.956 308 K CA -0.437 56.028 56.287 0.298 0.000 0.834 308 K CB 2.764 35.356 32.500 0.154 0.000 1.102 308 K HN 0.657 nan 8.250 nan 0.000 0.431 309 M N 4.470 124.133 119.600 0.104 0.000 2.143 309 M HA 0.018 4.500 4.480 0.002 0.000 0.348 309 M C 0.795 176.924 176.300 -0.284 0.000 1.375 309 M CA -0.191 54.776 55.300 -0.554 0.000 1.124 309 M CB 0.765 32.672 32.600 -1.154 0.000 1.669 309 M HN 0.592 nan 8.290 nan 0.000 0.469 310 V N 2.156 121.928 119.914 -0.237 0.000 3.471 310 V HA 0.399 4.520 4.120 0.002 0.000 0.258 310 V C 0.154 176.156 176.094 -0.153 0.000 1.192 310 V CA 0.358 62.583 62.300 -0.125 0.000 1.116 310 V CB -0.270 31.521 31.823 -0.054 0.000 0.792 310 V HN 0.849 nan 8.190 nan 0.000 0.459 311 N N -0.651 117.910 118.700 -0.231 0.000 2.504 311 N HA 0.461 5.203 4.740 0.002 0.000 0.268 311 N C -2.246 173.135 175.510 -0.216 0.000 1.184 311 N CA -0.271 52.667 53.050 -0.186 0.000 0.875 311 N CB 2.759 41.162 38.487 -0.139 0.000 1.630 311 N HN 0.327 nan 8.380 nan 0.000 0.486 312 Y N 1.157 121.288 120.300 -0.282 0.000 2.513 312 Y HA 0.412 4.963 4.550 0.002 0.000 0.340 312 Y C -1.420 174.373 175.900 -0.179 0.000 1.055 312 Y CA -0.381 57.553 58.100 -0.277 0.000 1.020 312 Y CB 1.475 39.714 38.460 -0.369 0.000 1.301 312 Y HN 0.602 nan 8.280 nan 0.000 0.453 313 Q N 4.750 123.885 119.800 -1.107 0.000 2.633 313 Q HA 0.570 4.911 4.340 0.002 0.000 0.289 313 Q C -2.398 173.165 176.000 -0.728 0.000 0.940 313 Q CA -1.187 54.239 55.803 -0.628 0.000 0.785 313 Q CB 2.335 30.887 28.738 -0.310 0.000 1.467 313 Q HN 0.729 nan 8.270 nan 0.000 0.401 314 L N 2.081 123.089 121.223 -0.359 0.000 2.305 314 L HA 0.543 4.885 4.340 0.002 0.000 0.284 314 L C -0.657 176.185 176.870 -0.047 0.000 1.013 314 L CA -0.858 53.814 54.840 -0.280 0.000 0.819 314 L CB 1.406 43.183 42.059 -0.471 0.000 1.227 314 L HN 0.566 nan 8.230 nan 0.000 0.417 315 I N 5.397 125.965 120.570 -0.003 0.000 2.312 315 I HA 0.250 4.422 4.170 0.002 0.000 0.291 315 I C -2.117 174.104 176.117 0.174 0.000 1.031 315 I CA -1.914 59.419 61.300 0.055 0.000 1.293 315 I CB 1.140 39.127 38.000 -0.021 0.000 1.403 315 I HN 0.258 nan 8.210 nan 0.000 0.484 316 P HA 0.048 nan 4.420 nan 0.000 0.271 316 P C -0.482 176.818 177.300 0.000 0.000 1.216 316 P CA -0.148 62.977 63.100 0.042 0.000 0.771 316 P CB 0.721 32.437 31.700 0.027 0.000 0.864 317 V N 4.712 124.600 119.914 -0.044 0.000 2.247 317 V HA 0.138 4.259 4.120 0.002 0.000 0.262 317 V C 0.396 176.505 176.094 0.024 0.000 1.096 317 V CA -0.362 61.945 62.300 0.012 0.000 0.895 317 V CB -0.900 30.950 31.823 0.046 0.000 1.141 317 V HN 0.662 nan 8.190 nan 0.000 0.478 318 N N 2.246 120.959 118.700 0.020 0.000 2.721 318 N HA -0.180 4.562 4.740 0.002 0.000 0.249 318 N C -0.136 175.394 175.510 0.035 0.000 1.072 318 N CA 0.696 53.756 53.050 0.018 0.000 0.710 318 N CB -0.880 37.596 38.487 -0.018 0.000 0.993 318 N HN 0.595 nan 8.380 nan 0.000 0.547 319 L N -0.146 121.124 121.223 0.078 0.000 2.436 319 L HA 0.226 4.567 4.340 0.002 0.000 0.265 319 L C 0.943 177.966 176.870 0.255 0.000 1.168 319 L CA 0.292 55.217 54.840 0.142 0.000 0.815 319 L CB 0.580 42.684 42.059 0.074 0.000 1.109 319 L HN -0.030 nan 8.230 nan 0.000 0.462 320 K N 1.903 122.403 120.400 0.167 0.000 2.385 320 K HA 0.495 4.817 4.320 0.002 0.000 0.248 320 K C -1.200 175.294 176.600 -0.176 0.000 0.955 320 K CA -0.992 55.255 56.287 -0.067 0.000 0.816 320 K CB 2.646 35.087 32.500 -0.098 0.000 1.250 320 K HN 0.459 nan 8.250 nan 0.000 0.434 321 K N 0.937 121.029 120.400 -0.514 0.000 2.295 321 K HA 0.470 4.791 4.320 0.002 0.000 0.239 321 K C -0.826 175.599 176.600 -0.293 0.000 0.991 321 K CA -1.085 54.956 56.287 -0.411 0.000 0.845 321 K CB 1.700 33.811 32.500 -0.649 0.000 1.197 321 K HN 0.227 nan 8.250 nan 0.000 0.441 322 K N 1.120 121.388 120.400 -0.219 0.000 2.130 322 K HA 0.334 4.655 4.320 0.002 0.000 0.268 322 K C -0.557 175.915 176.600 -0.215 0.000 0.983 322 K CA -0.896 55.271 56.287 -0.199 0.000 0.893 322 K CB 1.784 34.188 32.500 -0.161 0.000 1.066 322 K HN 0.574 nan 8.250 nan 0.000 0.450 323 V N -1.017 118.754 119.914 -0.239 0.000 2.823 323 V HA 0.623 4.744 4.120 0.002 0.000 0.312 323 V C -0.581 175.299 176.094 -0.357 0.000 1.072 323 V CA -0.606 61.493 62.300 -0.335 0.000 0.937 323 V CB 1.991 33.544 31.823 -0.449 0.000 1.013 323 V HN 0.655 nan 8.190 nan 0.000 0.430 324 T N 3.471 117.790 114.554 -0.392 0.000 2.848 324 T HA 0.566 4.918 4.350 0.002 0.000 0.285 324 T C -0.920 173.572 174.700 -0.346 0.000 0.995 324 T CA -0.090 61.843 62.100 -0.278 0.000 0.970 324 T CB 1.094 69.887 68.868 -0.125 0.000 0.976 324 T HN 0.770 nan 8.240 nan 0.000 0.441 325 W N 1.695 122.977 121.300 -0.030 0.000 2.253 325 W HA 0.321 4.982 4.660 0.002 0.000 0.348 325 W C 1.794 178.301 176.519 -0.020 0.000 1.229 325 W CA -0.838 56.492 57.345 -0.025 0.000 1.335 325 W CB 0.510 29.956 29.460 -0.024 0.000 1.165 325 W HN 0.810 nan 8.180 nan 0.000 0.631 326 E N 0.162 120.508 120.200 0.244 0.000 2.401 326 E HA -0.223 4.129 4.350 0.002 0.000 0.199 326 E C 0.725 177.386 176.600 0.102 0.000 1.023 326 E CA 1.352 57.827 56.400 0.126 0.000 0.859 326 E CB -0.341 29.419 29.700 0.100 0.000 0.780 326 E HN 0.538 nan 8.360 nan 0.000 0.523 327 D N -0.146 120.330 120.400 0.127 0.000 2.358 327 D HA 0.090 4.731 4.640 0.002 0.000 0.224 327 D C 1.287 177.633 176.300 0.077 0.000 1.123 327 D CA 0.377 54.422 54.000 0.076 0.000 0.833 327 D CB 0.382 41.210 40.800 0.048 0.000 0.946 327 D HN 0.321 nan 8.370 nan 0.000 0.505 328 G N 0.893 109.749 108.800 0.093 0.000 2.253 328 G HA2 -0.340 3.622 3.960 0.002 0.000 0.251 328 G HA3 -0.340 3.622 3.960 0.002 0.000 0.251 328 G C 0.325 175.281 174.900 0.093 0.000 0.998 328 G CA 0.320 45.464 45.100 0.072 0.000 0.621 328 G HN 0.594 nan 8.290 nan 0.000 0.524 329 K N 1.128 121.614 120.400 0.144 0.000 2.355 329 K HA 0.509 4.831 4.320 0.002 0.000 0.270 329 K C -0.191 176.539 176.600 0.216 0.000 1.003 329 K CA 0.381 56.766 56.287 0.164 0.000 0.957 329 K CB 0.281 32.877 32.500 0.162 0.000 0.939 329 K HN 0.196 nan 8.250 nan 0.000 0.482 330 S N 1.641 117.422 115.700 0.136 0.000 2.599 330 S HA 0.378 4.850 4.470 0.002 0.000 0.294 330 S C -1.496 173.151 174.600 0.079 0.000 1.094 330 S CA -0.932 57.308 58.200 0.066 0.000 0.931 330 S CB 1.725 64.922 63.200 -0.006 0.000 1.093 330 S HN 0.723 nan 8.310 nan 0.000 0.488 331 E N 0.601 120.815 120.200 0.024 0.000 2.412 331 E HA 0.496 4.848 4.350 0.002 0.000 0.279 331 E C -1.552 175.008 176.600 -0.067 0.000 0.984 331 E CA -1.155 55.261 56.400 0.026 0.000 0.788 331 E CB 1.325 31.108 29.700 0.138 0.000 1.277 331 E HN 0.386 nan 8.360 nan 0.000 0.455 332 R N 1.071 121.522 120.500 -0.082 0.000 2.312 332 R HA 0.541 4.883 4.340 0.002 0.000 0.311 332 R C -0.845 175.385 176.300 -0.117 0.000 1.004 332 R CA -0.791 55.224 56.100 -0.142 0.000 0.902 332 R CB 1.844 32.037 30.300 -0.179 0.000 1.073 332 R HN 0.316 nan 8.270 nan 0.000 0.457 333 V N 4.864 124.672 119.914 -0.176 0.000 2.555 333 V HA 0.302 4.423 4.120 0.002 0.000 0.302 333 V C 0.247 176.206 176.094 -0.224 0.000 1.038 333 V CA -0.949 61.253 62.300 -0.163 0.000 0.887 333 V CB 2.002 33.720 31.823 -0.174 0.000 0.991 333 V HN 0.612 nan 8.190 nan 0.000 0.434 334 L N 3.320 124.462 121.223 -0.136 0.000 2.485 334 L HA 0.111 4.452 4.340 0.002 0.000 0.275 334 L C 0.814 177.610 176.870 -0.125 0.000 1.207 334 L CA 0.300 55.082 54.840 -0.097 0.000 0.855 334 L CB 0.204 42.249 42.059 -0.024 0.000 1.114 334 L HN 0.672 nan 8.230 nan 0.000 0.485 335 Y N 0.311 120.591 120.300 -0.033 0.000 2.263 335 Y HA -0.083 4.468 4.550 0.002 0.000 0.292 335 Y C 1.523 177.410 175.900 -0.022 0.000 1.130 335 Y CA 0.947 59.029 58.100 -0.030 0.000 1.179 335 Y CB 0.100 38.547 38.460 -0.022 0.000 0.998 335 Y HN 0.698 nan 8.280 nan 0.000 0.532 336 T N -3.585 111.056 114.554 0.145 0.000 2.887 336 T HA 0.499 4.850 4.350 0.002 0.000 0.292 336 T C -2.910 171.813 174.700 0.040 0.000 1.087 336 T CA -2.540 59.606 62.100 0.077 0.000 1.009 336 T CB 1.772 70.684 68.868 0.073 0.000 1.203 336 T HN -0.389 nan 8.240 nan 0.000 0.518 337 P HA 0.128 nan 4.420 nan 0.000 0.264 337 P C -0.144 177.161 177.300 0.008 0.000 1.183 337 P CA -0.056 63.050 63.100 0.010 0.000 0.763 337 P CB 0.248 31.951 31.700 0.006 0.000 0.807 338 E N 2.561 122.762 120.200 0.001 0.000 2.452 338 E HA 0.038 4.390 4.350 0.002 0.000 0.261 338 E C -0.528 176.067 176.600 -0.007 0.000 0.987 338 E CA -0.068 56.329 56.400 -0.004 0.000 0.926 338 E CB 0.212 29.906 29.700 -0.010 0.000 0.934 338 E HN 0.327 nan 8.360 nan 0.000 0.452 339 I N 3.809 124.373 120.570 -0.010 0.000 2.321 339 I HA 0.253 4.424 4.170 0.002 0.000 0.291 339 I C 0.348 176.452 176.117 -0.022 0.000 0.998 339 I CA -0.595 60.697 61.300 -0.013 0.000 1.227 339 I CB 1.471 39.466 38.000 -0.009 0.000 1.368 339 I HN 0.551 nan 8.210 nan 0.000 0.466 340 A N 6.205 129.012 122.820 -0.021 0.000 2.445 340 A HA 0.214 4.535 4.320 0.002 0.000 0.242 340 A C 0.125 177.688 177.584 -0.035 0.000 1.075 340 A CA -0.242 51.779 52.037 -0.027 0.000 0.777 340 A CB 0.137 19.126 19.000 -0.019 0.000 1.013 340 A HN 0.733 nan 8.150 nan 0.000 0.493 341 E N 1.709 121.878 120.200 -0.052 0.000 2.259 341 E HA 0.028 4.379 4.350 0.002 0.000 0.281 341 E C -0.161 176.415 176.600 -0.041 0.000 1.037 341 E CA -0.475 55.885 56.400 -0.067 0.000 0.854 341 E CB 0.699 30.326 29.700 -0.122 0.000 1.051 341 E HN 0.681 nan 8.360 nan 0.000 0.409 342 N N 3.097 121.781 118.700 -0.026 0.000 2.447 342 N HA -0.100 4.641 4.740 0.002 0.000 0.263 342 N C 0.608 176.118 175.510 0.001 0.000 1.226 342 N CA 0.093 53.140 53.050 -0.006 0.000 0.906 342 N CB 0.832 39.323 38.487 0.007 0.000 1.060 342 N HN 0.439 nan 8.380 nan 0.000 0.468 343 Q N 2.553 122.358 119.800 0.008 0.000 2.224 343 Q HA -0.175 4.166 4.340 0.002 0.000 0.203 343 Q C 1.545 177.567 176.000 0.037 0.000 0.970 343 Q CA 1.109 56.924 55.803 0.020 0.000 0.865 343 Q CB -0.148 28.601 28.738 0.019 0.000 0.922 343 Q HN 0.757 nan 8.270 nan 0.000 0.445 344 Q N -0.147 119.674 119.800 0.036 0.000 2.084 344 Q HA -0.163 4.179 4.340 0.002 0.000 0.202 344 Q C 2.008 178.046 176.000 0.064 0.000 0.978 344 Q CA 1.356 57.186 55.803 0.046 0.000 0.844 344 Q CB 0.023 28.785 28.738 0.041 0.000 0.898 344 Q HN 0.242 nan 8.270 nan 0.000 0.426 345 M N 0.340 119.977 119.600 0.061 0.000 2.117 345 M HA -0.162 4.320 4.480 0.002 0.000 0.262 345 M C 1.702 178.075 176.300 0.122 0.000 1.065 345 M CA 1.356 56.707 55.300 0.085 0.000 1.114 345 M CB -0.236 32.402 32.600 0.064 0.000 1.361 345 M HN 0.268 nan 8.290 nan 0.000 0.408 346 I N -0.514 120.109 120.570 0.088 0.000 2.208 346 I HA -0.255 3.916 4.170 0.002 0.000 0.245 346 I C 2.280 178.522 176.117 0.208 0.000 1.097 346 I CA 1.331 62.716 61.300 0.142 0.000 1.363 346 I CB -1.641 36.400 38.000 0.068 0.000 1.051 346 I HN 0.303 nan 8.210 nan 0.000 0.413 347 S N 0.794 116.573 115.700 0.131 0.000 2.382 347 S HA -0.147 4.325 4.470 0.002 0.000 0.228 347 S C 1.928 176.594 174.600 0.111 0.000 1.027 347 S CA 1.008 59.272 58.200 0.106 0.000 0.991 347 S CB -0.331 62.908 63.200 0.066 0.000 0.823 347 S HN 0.369 nan 8.310 nan 0.000 0.469 348 L N 1.516 122.818 121.223 0.131 0.000 2.027 348 L HA 0.085 4.426 4.340 0.002 0.000 0.206 348 L C 1.801 178.819 176.870 0.248 0.000 1.074 348 L CA 1.720 56.650 54.840 0.150 0.000 0.745 348 L CB -0.464 41.678 42.059 0.138 0.000 0.898 348 L HN 0.266 nan 8.230 nan 0.000 0.433 349 L N -1.485 119.927 121.223 0.316 0.000 2.270 349 L HA -0.023 4.319 4.340 0.002 0.000 0.210 349 L C 2.422 179.542 176.870 0.416 0.000 1.104 349 L CA 0.631 55.737 54.840 0.443 0.000 0.804 349 L CB -0.630 41.804 42.059 0.624 0.000 0.937 349 L HN 0.159 nan 8.230 nan 0.000 0.450 350 S N 0.597 116.511 115.700 0.357 0.000 2.372 350 S HA -0.138 4.334 4.470 0.002 0.000 0.227 350 S C -0.418 174.162 174.600 -0.034 0.000 1.044 350 S CA 1.791 60.078 58.200 0.144 0.000 1.050 350 S CB -1.085 62.216 63.200 0.168 0.000 0.901 350 S HN 0.299 nan 8.310 nan 0.000 0.447 351 P HA -0.064 nan 4.420 nan 0.000 0.215 351 P C 0.925 178.051 177.300 -0.290 0.000 1.153 351 P CA 1.040 63.983 63.100 -0.262 0.000 0.853 351 P CB -0.106 31.333 31.700 -0.435 0.000 0.788 352 F N -0.615 119.257 119.950 -0.130 0.000 2.146 352 F HA -0.130 4.398 4.527 0.002 0.000 0.298 352 F C 2.658 178.401 175.800 -0.095 0.000 1.096 352 F CA 1.216 59.114 58.000 -0.169 0.000 1.275 352 F CB -1.308 37.476 39.000 -0.361 0.000 1.008 352 F HN -0.107 nan 8.300 nan 0.000 0.480 353 Q N 0.952 120.809 119.800 0.093 0.000 2.124 353 Q HA -0.181 4.160 4.340 0.002 0.000 0.202 353 Q C 1.385 177.269 176.000 -0.193 0.000 0.977 353 Q CA 2.098 57.832 55.803 -0.115 0.000 0.850 353 Q CB -0.640 27.648 28.738 -0.751 0.000 0.901 353 Q HN 0.512 nan 8.270 nan 0.000 0.429 354 N N -0.513 118.086 118.700 -0.168 0.000 2.416 354 N HA -0.040 4.702 4.740 0.002 0.000 0.177 354 N C -0.205 175.252 175.510 -0.088 0.000 1.036 354 N CA -0.058 52.910 53.050 -0.136 0.000 0.901 354 N CB 0.061 38.476 38.487 -0.120 0.000 0.976 354 N HN 0.026 nan 8.380 nan 0.000 0.444 355 K N 0.937 121.293 120.400 -0.073 0.000 2.437 355 K HA -0.044 4.277 4.320 0.002 0.000 0.277 355 K C 0.984 177.569 176.600 -0.025 0.000 1.073 355 K CA 0.847 57.103 56.287 -0.051 0.000 1.105 355 K CB -0.074 32.401 32.500 -0.041 0.000 0.881 355 K HN 0.240 nan 8.250 nan 0.000 0.475 356 G N 3.963 112.750 108.800 -0.021 0.000 2.196 356 G HA2 -0.451 3.511 3.960 0.002 0.000 0.268 356 G HA3 -0.451 3.511 3.960 0.002 0.000 0.268 356 G C 0.913 175.807 174.900 -0.010 0.000 0.975 356 G CA 1.018 46.115 45.100 -0.004 0.000 0.648 356 G HN 0.870 nan 8.290 nan 0.000 0.538 357 K N 0.189 120.569 120.400 -0.034 0.000 2.097 357 K HA -0.035 4.286 4.320 0.002 0.000 0.214 357 K C 2.632 179.216 176.600 -0.027 0.000 1.052 357 K CA 2.422 58.681 56.287 -0.047 0.000 0.932 357 K CB -0.830 31.626 32.500 -0.072 0.000 0.716 357 K HN 1.059 nan 8.250 nan 0.000 0.455 358 A N 1.755 124.563 122.820 -0.020 0.000 1.849 358 A HA -0.234 4.087 4.320 0.002 0.000 0.217 358 A C 2.349 179.936 177.584 0.005 0.000 1.202 358 A CA 1.919 53.949 52.037 -0.011 0.000 0.629 358 A CB -0.648 18.345 19.000 -0.011 0.000 0.834 358 A HN 0.427 nan 8.150 nan 0.000 0.447 359 Q N -1.183 118.627 119.800 0.018 0.000 2.119 359 Q HA -0.100 4.241 4.340 0.002 0.000 0.201 359 Q C 2.113 178.164 176.000 0.085 0.000 0.972 359 Q CA 1.106 56.935 55.803 0.043 0.000 0.847 359 Q CB -0.549 28.217 28.738 0.047 0.000 0.903 359 Q HN 0.538 nan 8.270 nan 0.000 0.433 360 L N 1.385 122.650 121.223 0.069 0.000 2.046 360 L HA -0.170 4.172 4.340 0.002 0.000 0.208 360 L C 1.690 178.586 176.870 0.043 0.000 1.077 360 L CA 1.775 56.654 54.840 0.065 0.000 0.747 360 L CB -0.238 41.813 42.059 -0.012 0.000 0.896 360 L HN 0.216 nan 8.230 nan 0.000 0.432 361 E N -1.440 118.768 120.200 0.013 0.000 2.489 361 E HA 0.018 4.369 4.350 0.002 0.000 0.193 361 E C 0.461 177.070 176.600 0.015 0.000 1.057 361 E CA -0.231 56.169 56.400 0.001 0.000 0.866 361 E CB 0.260 29.947 29.700 -0.022 0.000 0.916 361 E HN 0.202 nan 8.360 nan 0.000 0.500 362 V N 2.372 122.304 119.914 0.031 0.000 2.637 362 V HA -0.025 4.097 4.120 0.002 0.000 0.296 362 V C 0.207 176.318 176.094 0.028 0.000 1.046 362 V CA -0.178 62.136 62.300 0.023 0.000 1.066 362 V CB 0.833 32.667 31.823 0.017 0.000 0.968 362 V HN 0.051 nan 8.190 nan 0.000 0.483 363 K N 5.648 126.057 120.400 0.014 0.000 2.451 363 K HA 0.116 4.437 4.320 0.002 0.000 0.280 363 K C 0.805 177.409 176.600 0.007 0.000 1.020 363 K CA 0.426 56.720 56.287 0.012 0.000 1.008 363 K CB 0.345 32.847 32.500 0.004 0.000 0.917 363 K HN 0.770 nan 8.250 nan 0.000 0.478 364 I N 0.427 121.005 120.570 0.012 0.000 4.139 364 I HA 0.423 4.594 4.170 0.002 0.000 0.335 364 I C 0.576 176.688 176.117 -0.009 0.000 1.327 364 I CA -0.308 60.989 61.300 -0.004 0.000 1.112 364 I CB 0.850 38.853 38.000 0.004 0.000 1.058 364 I HN 0.715 nan 8.210 nan 0.000 0.396 365 G N 1.662 110.461 108.800 -0.000 0.000 2.323 365 G HA2 0.393 4.355 3.960 0.002 0.000 0.291 365 G HA3 0.393 4.355 3.960 0.002 0.000 0.291 365 G C -1.979 172.924 174.900 0.005 0.000 1.278 365 G CA -0.220 44.877 45.100 -0.004 0.000 0.860 365 G HN 0.482 nan 8.290 nan 0.000 0.504 366 E N -1.852 118.353 120.200 0.008 0.000 2.412 366 E HA 0.665 5.017 4.350 0.002 0.000 0.279 366 E C -1.510 175.106 176.600 0.027 0.000 0.984 366 E CA -0.887 55.523 56.400 0.016 0.000 0.788 366 E CB 2.287 31.995 29.700 0.013 0.000 1.277 366 E HN 0.651 nan 8.360 nan 0.000 0.455 367 T N 0.316 114.890 114.554 0.033 0.000 2.893 367 T HA 0.244 4.595 4.350 0.002 0.000 0.293 367 T C -0.149 174.580 174.700 0.047 0.000 1.027 367 T CA -0.544 61.586 62.100 0.050 0.000 0.988 367 T CB 0.967 69.867 68.868 0.052 0.000 1.043 367 T HN 0.602 nan 8.240 nan 0.000 0.461 368 N N 2.477 121.211 118.700 0.056 0.000 2.461 368 N HA 0.279 5.020 4.740 0.002 0.000 0.188 368 N C 0.550 176.091 175.510 0.051 0.000 1.134 368 N CA 0.001 53.080 53.050 0.048 0.000 0.878 368 N CB 0.331 38.846 38.487 0.047 0.000 0.972 368 N HN 0.740 nan 8.380 nan 0.000 0.456 369 G N -0.873 107.963 108.800 0.060 0.000 2.660 369 G HA2 0.439 4.401 3.960 0.002 0.000 0.290 369 G HA3 0.439 4.401 3.960 0.002 0.000 0.290 369 G C -1.651 173.284 174.900 0.058 0.000 1.432 369 G CA -1.160 43.976 45.100 0.059 0.000 0.807 369 G HN 0.219 nan 8.290 nan 0.000 0.485 370 R N -0.168 120.365 120.500 0.055 0.000 2.491 370 R HA 0.420 4.762 4.340 0.002 0.000 0.283 370 R C -0.515 175.820 176.300 0.059 0.000 1.072 370 R CA -0.273 55.857 56.100 0.051 0.000 1.048 370 R CB 0.288 30.617 30.300 0.048 0.000 0.983 370 R HN 0.332 nan 8.270 nan 0.000 0.450 371 L N 3.935 125.187 121.223 0.050 0.000 2.262 371 L HA 0.234 4.575 4.340 0.002 0.000 0.288 371 L C -0.176 176.725 176.870 0.051 0.000 1.035 371 L CA -0.525 54.345 54.840 0.049 0.000 0.820 371 L CB 1.498 43.570 42.059 0.022 0.000 1.204 371 L HN 0.610 nan 8.230 nan 0.000 0.424 372 E N 2.291 122.530 120.200 0.066 0.000 2.166 372 E HA 0.275 4.627 4.350 0.002 0.000 0.279 372 E C 0.702 177.347 176.600 0.075 0.000 1.095 372 E CA 0.125 56.566 56.400 0.070 0.000 0.888 372 E CB 0.981 30.728 29.700 0.079 0.000 1.041 372 E HN 0.616 nan 8.360 nan 0.000 0.414 373 G N 3.834 112.675 108.800 0.068 0.000 3.829 373 G HA2 0.045 4.006 3.960 0.002 0.000 0.279 373 G HA3 0.045 4.006 3.960 0.002 0.000 0.279 373 G C -0.523 174.426 174.900 0.081 0.000 1.008 373 G CA -0.509 44.636 45.100 0.074 0.000 0.840 373 G HN 0.448 nan 8.290 nan 0.000 0.474 374 D N 0.485 120.933 120.400 0.079 0.000 2.414 374 D HA 0.116 4.757 4.640 0.002 0.000 0.242 374 D C 1.491 177.852 176.300 0.102 0.000 1.129 374 D CA -0.236 53.812 54.000 0.081 0.000 0.885 374 D CB 1.492 42.329 40.800 0.062 0.000 1.198 374 D HN 0.084 nan 8.370 nan 0.000 0.437 375 R N 1.755 122.323 120.500 0.113 0.000 2.113 375 R HA -0.198 4.143 4.340 0.002 0.000 0.244 375 R C 1.199 177.621 176.300 0.203 0.000 1.142 375 R CA 1.881 58.072 56.100 0.151 0.000 0.953 375 R CB -0.023 30.361 30.300 0.140 0.000 0.860 375 R HN 0.578 nan 8.270 nan 0.000 0.438 376 D N -0.473 119.994 120.400 0.112 0.000 2.392 376 D HA -0.150 4.492 4.640 0.002 0.000 0.228 376 D C 0.795 177.051 176.300 -0.074 0.000 1.003 376 D CA 0.891 54.868 54.000 -0.038 0.000 0.917 376 D CB 0.146 40.834 40.800 -0.187 0.000 0.890 376 D HN 0.225 nan 8.370 nan 0.000 0.532 377 K N 0.366 120.822 120.400 0.094 0.000 2.312 377 K HA 0.057 4.379 4.320 0.002 0.000 0.206 377 K C 2.396 179.118 176.600 0.204 0.000 1.121 377 K CA 0.975 57.328 56.287 0.110 0.000 0.923 377 K CB -0.712 31.835 32.500 0.078 0.000 1.162 377 K HN 0.192 nan 8.250 nan 0.000 0.478 378 V N 0.285 120.319 119.914 0.201 0.000 2.720 378 V HA -0.062 4.060 4.120 0.002 0.000 0.256 378 V C 1.533 177.792 176.094 0.275 0.000 1.082 378 V CA 1.343 63.781 62.300 0.230 0.000 1.101 378 V CB -0.694 31.239 31.823 0.185 0.000 0.693 378 V HN 0.150 nan 8.190 nan 0.000 0.479 379 R N -1.690 118.945 120.500 0.225 0.000 2.427 379 R HA 0.395 4.736 4.340 0.002 0.000 0.262 379 R C 0.917 176.887 176.300 -0.550 0.000 0.943 379 R CA 0.288 56.405 56.100 0.028 0.000 1.081 379 R CB 0.145 30.442 30.300 -0.004 0.000 1.166 379 R HN 0.586 nan 8.270 nan 0.000 0.534 380 F N -0.887 118.753 119.950 -0.516 0.000 2.729 380 F HA 0.133 4.661 4.527 0.002 0.000 0.304 380 F C 0.648 176.001 175.800 -0.745 0.000 1.008 380 F CA -0.433 57.148 58.000 -0.698 0.000 1.188 380 F CB 0.769 39.596 39.000 -0.289 0.000 0.980 380 F HN -0.267 nan 8.300 nan 0.000 0.627 381 V N -2.499 117.365 119.914 -0.084 0.000 3.181 381 V HA 0.552 4.674 4.120 0.002 0.000 0.308 381 V C -0.889 175.472 176.094 0.444 0.000 1.214 381 V CA -1.187 61.244 62.300 0.220 0.000 1.053 381 V CB 1.478 33.412 31.823 0.185 0.000 1.069 381 V HN -0.147 nan 8.190 nan 0.000 0.441 382 Q N 2.126 122.201 119.800 0.458 0.000 2.332 382 Q HA 0.492 4.834 4.340 0.002 0.000 0.263 382 Q C 0.253 176.413 176.000 0.266 0.000 0.979 382 Q CA 0.489 56.522 55.803 0.382 0.000 0.885 382 Q CB 1.196 30.140 28.738 0.343 0.000 1.218 382 Q HN 1.155 nan 8.270 nan 0.000 0.405 383 T N -1.660 113.032 114.554 0.231 0.000 2.916 383 T HA 0.302 4.653 4.350 0.002 0.000 0.292 383 T C 0.914 175.711 174.700 0.163 0.000 1.064 383 T CA -0.796 61.411 62.100 0.178 0.000 1.011 383 T CB 0.842 69.804 68.868 0.157 0.000 1.152 383 T HN 0.489 nan 8.240 nan 0.000 0.510 384 N N 0.904 119.693 118.700 0.149 0.000 2.381 384 N HA -0.095 4.647 4.740 0.002 0.000 0.182 384 N C 1.476 177.050 175.510 0.107 0.000 1.025 384 N CA 0.962 54.110 53.050 0.164 0.000 0.888 384 N CB -0.709 37.886 38.487 0.180 0.000 0.965 384 N HN 0.589 nan 8.380 nan 0.000 0.438 385 M N 0.746 120.394 119.600 0.081 0.000 2.200 385 M HA 0.215 4.697 4.480 0.002 0.000 0.265 385 M C 1.915 178.239 176.300 0.039 0.000 1.066 385 M CA 1.421 56.742 55.300 0.035 0.000 1.127 385 M CB -0.846 31.782 32.600 0.046 0.000 1.379 385 M HN 0.182 nan 8.290 nan 0.000 0.420 386 G N 0.221 109.073 108.800 0.086 0.000 2.446 386 G HA2 -0.212 3.750 3.960 0.002 0.000 0.217 386 G HA3 -0.212 3.750 3.960 0.002 0.000 0.217 386 G C 1.655 176.608 174.900 0.089 0.000 1.168 386 G CA 0.627 45.783 45.100 0.093 0.000 0.771 386 G HN 0.344 nan 8.290 nan 0.000 0.551 387 R N -0.226 120.350 120.500 0.128 0.000 2.096 387 R HA 0.013 4.354 4.340 0.002 0.000 0.235 387 R C 2.470 178.840 176.300 0.116 0.000 1.127 387 R CA 0.865 57.071 56.100 0.176 0.000 0.968 387 R CB -1.154 29.312 30.300 0.276 0.000 0.861 387 R HN 0.458 nan 8.270 nan 0.000 0.440 388 L N 0.921 122.099 121.223 -0.075 0.000 2.027 388 L HA -0.056 4.285 4.340 0.002 0.000 0.206 388 L C 2.136 178.865 176.870 -0.235 0.000 1.074 388 L CA 1.544 56.148 54.840 -0.394 0.000 0.745 388 L CB -0.510 41.255 42.059 -0.490 0.000 0.898 388 L HN 0.036 nan 8.230 nan 0.000 0.433 389 I N -0.796 119.702 120.570 -0.120 0.000 2.163 389 I HA -0.337 3.835 4.170 0.002 0.000 0.243 389 I C 2.390 178.449 176.117 -0.096 0.000 1.085 389 I CA 1.545 62.792 61.300 -0.088 0.000 1.347 389 I CB -0.366 37.621 38.000 -0.022 0.000 1.044 389 I HN 0.272 nan 8.210 nan 0.000 0.408 390 L N 0.358 121.556 121.223 -0.041 0.000 2.141 390 L HA -0.156 4.185 4.340 0.002 0.000 0.209 390 L C 2.823 179.652 176.870 -0.069 0.000 1.094 390 L CA 1.041 55.871 54.840 -0.016 0.000 0.763 390 L CB -0.742 41.350 42.059 0.055 0.000 0.908 390 L HN 0.237 nan 8.230 nan 0.000 0.437 391 A N 0.290 123.043 122.820 -0.111 0.000 1.902 391 A HA -0.152 4.169 4.320 0.002 0.000 0.217 391 A C 2.569 179.836 177.584 -0.529 0.000 1.181 391 A CA 1.681 53.609 52.037 -0.183 0.000 0.623 391 A CB -0.605 18.396 19.000 0.002 0.000 0.818 391 A HN 0.385 nan 8.150 nan 0.000 0.443 392 A N -0.650 121.714 122.820 -0.760 0.000 1.902 392 A HA -0.213 4.108 4.320 0.002 0.000 0.217 392 A C 2.131 179.567 177.584 -0.247 0.000 1.181 392 A CA 1.671 53.270 52.037 -0.731 0.000 0.623 392 A CB -0.576 18.177 19.000 -0.412 0.000 0.818 392 A HN 0.653 nan 8.150 nan 0.000 0.443 393 Q N -1.012 118.703 119.800 -0.142 0.000 2.079 393 Q HA -0.100 4.241 4.340 0.002 0.000 0.200 393 Q C 2.222 178.207 176.000 -0.025 0.000 0.974 393 Q CA 1.617 57.400 55.803 -0.034 0.000 0.840 393 Q CB -0.267 28.471 28.738 0.000 0.000 0.898 393 Q HN 0.700 nan 8.270 nan 0.000 0.430 394 M N 0.290 119.863 119.600 -0.045 0.000 2.132 394 M HA -0.182 4.300 4.480 0.002 0.000 0.263 394 M C 1.719 178.008 176.300 -0.018 0.000 1.065 394 M CA 1.534 56.822 55.300 -0.020 0.000 1.122 394 M CB -0.273 32.333 32.600 0.010 0.000 1.365 394 M HN 0.186 nan 8.290 nan 0.000 0.411 395 D N 0.225 120.611 120.400 -0.024 0.000 2.117 395 D HA -0.210 4.431 4.640 0.002 0.000 0.197 395 D C 1.998 178.309 176.300 0.018 0.000 0.987 395 D CA 1.306 55.324 54.000 0.031 0.000 0.829 395 D CB 0.082 40.952 40.800 0.116 0.000 0.961 395 D HN 0.021 nan 8.370 nan 0.000 0.460 396 R N -0.391 120.111 120.500 0.003 0.000 2.115 396 R HA -0.021 4.321 4.340 0.002 0.000 0.226 396 R C 1.990 178.300 176.300 0.016 0.000 1.100 396 R CA 2.103 58.201 56.100 -0.003 0.000 0.980 396 R CB -0.842 29.453 30.300 -0.010 0.000 0.875 396 R HN 0.357 nan 8.270 nan 0.000 0.445 397 T N -4.213 110.329 114.554 -0.019 0.000 3.044 397 T HA 0.249 4.600 4.350 0.002 0.000 0.250 397 T C 1.221 175.763 174.700 -0.263 0.000 1.081 397 T CA 0.257 62.264 62.100 -0.155 0.000 1.040 397 T CB 0.292 69.062 68.868 -0.164 0.000 0.962 397 T HN 0.344 nan 8.240 nan 0.000 0.506 398 G N 1.491 110.215 108.800 -0.128 0.000 2.160 398 G HA2 -0.007 3.954 3.960 0.002 0.000 0.244 398 G HA3 -0.007 3.954 3.960 0.002 0.000 0.244 398 G C 0.252 175.094 174.900 -0.096 0.000 1.022 398 G CA -0.078 44.960 45.100 -0.104 0.000 0.741 398 G HN 1.142 nan 8.290 nan 0.000 0.508 399 A N -0.562 122.212 122.820 -0.078 0.000 2.332 399 A HA 0.618 4.939 4.320 0.002 0.000 0.258 399 A C 1.168 178.794 177.584 0.070 0.000 1.087 399 A CA 0.552 52.576 52.037 -0.022 0.000 0.802 399 A CB 0.469 19.445 19.000 -0.040 0.000 1.042 399 A HN 0.182 nan 8.150 nan 0.000 0.489 400 D N -0.535 119.972 120.400 0.177 0.000 2.277 400 D HA 0.170 4.811 4.640 0.002 0.000 0.209 400 D C 0.089 176.637 176.300 0.413 0.000 0.970 400 D CA 1.387 55.559 54.000 0.286 0.000 0.874 400 D CB 0.093 41.118 40.800 0.375 0.000 0.982 400 D HN 0.530 nan 8.370 nan 0.000 0.504 401 F N -0.386 119.648 119.950 0.140 0.000 2.715 401 F HA 0.762 5.290 4.527 0.002 0.000 0.318 401 F C -1.558 174.338 175.800 0.161 0.000 1.141 401 F CA -1.893 56.200 58.000 0.154 0.000 0.950 401 F CB 1.218 40.324 39.000 0.177 0.000 1.374 401 F HN -0.131 nan 8.300 nan 0.000 0.477 402 A N 0.510 123.384 122.820 0.090 0.000 2.601 402 A HA 0.839 5.160 4.320 0.002 0.000 0.291 402 A C -2.178 175.498 177.584 0.153 0.000 1.075 402 A CA -0.362 51.658 52.037 -0.028 0.000 0.671 402 A CB 1.453 20.461 19.000 0.013 0.000 1.277 402 A HN 2.032 nan 8.150 nan 0.000 0.417 403 V N 1.397 121.378 119.914 0.112 0.000 3.178 403 V HA 0.912 5.033 4.120 0.002 0.000 0.302 403 V C -1.249 174.893 176.094 0.080 0.000 1.262 403 V CA 0.004 62.375 62.300 0.119 0.000 1.030 403 V CB 2.228 34.189 31.823 0.230 0.000 1.074 403 V HN 1.861 nan 8.190 nan 0.000 0.438 404 M N 2.477 122.090 119.600 0.022 0.000 2.732 404 M HA 0.662 5.144 4.480 0.002 0.000 0.272 404 M C -1.304 174.980 176.300 -0.026 0.000 1.203 404 M CA -0.507 54.791 55.300 -0.004 0.000 0.841 404 M CB 1.977 34.590 32.600 0.020 0.000 1.685 404 M HN 0.384 nan 8.290 nan 0.000 0.492 405 S N 0.925 116.590 115.700 -0.058 0.000 2.548 405 S HA 0.383 4.854 4.470 0.002 0.000 0.277 405 S C 1.185 175.821 174.600 0.060 0.000 1.315 405 S CA -0.011 58.197 58.200 0.014 0.000 1.050 405 S CB 1.280 64.490 63.200 0.016 0.000 0.918 405 S HN 0.920 nan 8.310 nan 0.000 0.497 406 G N 2.456 111.329 108.800 0.121 0.000 2.448 406 G HA2 -0.111 3.850 3.960 0.002 0.000 0.219 406 G HA3 -0.111 3.850 3.960 0.002 0.000 0.219 406 G C 1.357 176.342 174.900 0.142 0.000 1.127 406 G CA 0.589 45.791 45.100 0.169 0.000 0.766 406 G HN 0.800 nan 8.290 nan 0.000 0.552 407 G N 0.515 109.387 108.800 0.120 0.000 2.498 407 G HA2 0.120 4.081 3.960 0.002 0.000 0.219 407 G HA3 0.120 4.081 3.960 0.002 0.000 0.219 407 G C 1.504 176.480 174.900 0.127 0.000 1.119 407 G CA 1.033 46.199 45.100 0.111 0.000 0.766 407 G HN 0.555 nan 8.290 nan 0.000 0.552 408 G N -0.098 108.753 108.800 0.085 0.000 2.920 408 G HA2 0.262 4.223 3.960 0.002 0.000 0.208 408 G HA3 0.262 4.223 3.960 0.002 0.000 0.208 408 G C 0.427 175.430 174.900 0.171 0.000 1.159 408 G CA -0.302 44.892 45.100 0.156 0.000 0.784 408 G HN 0.398 nan 8.290 nan 0.000 0.535 409 I N 0.881 121.527 120.570 0.128 0.000 2.328 409 I HA 0.366 4.537 4.170 0.002 0.000 0.287 409 I C 0.515 176.677 176.117 0.076 0.000 1.012 409 I CA -0.773 60.575 61.300 0.081 0.000 1.195 409 I CB 1.841 39.892 38.000 0.085 0.000 1.350 409 I HN -0.116 nan 8.210 nan 0.000 0.464 410 R N 3.075 123.581 120.500 0.010 0.000 2.432 410 R HA 0.343 4.685 4.340 0.002 0.000 0.260 410 R C -0.404 175.891 176.300 -0.007 0.000 0.935 410 R CA 0.041 56.136 56.100 -0.009 0.000 1.080 410 R CB 0.045 30.267 30.300 -0.130 0.000 1.155 410 R HN 0.611 nan 8.270 nan 0.000 0.531 411 D N -1.400 119.001 120.400 0.001 0.000 2.764 411 D HA 0.221 4.863 4.640 0.002 0.000 0.293 411 D C -0.983 175.328 176.300 0.019 0.000 1.287 411 D CA -0.185 53.821 54.000 0.011 0.000 0.768 411 D CB 1.753 42.539 40.800 -0.023 0.000 1.288 411 D HN -0.218 nan 8.370 nan 0.000 0.426 412 S N -0.265 115.451 115.700 0.026 0.000 2.747 412 S HA 0.742 5.214 4.470 0.002 0.000 0.300 412 S C -0.202 174.408 174.600 0.017 0.000 1.121 412 S CA -0.575 57.642 58.200 0.029 0.000 0.995 412 S CB 1.147 64.372 63.200 0.041 0.000 1.113 412 S HN 0.290 nan 8.310 nan 0.000 0.547 413 I N 1.905 122.487 120.570 0.020 0.000 2.439 413 I HA 0.288 4.459 4.170 0.002 0.000 0.285 413 I C -0.333 175.798 176.117 0.024 0.000 1.021 413 I CA -0.659 60.650 61.300 0.015 0.000 1.091 413 I CB 1.607 39.614 38.000 0.011 0.000 1.242 413 I HN 0.433 nan 8.210 nan 0.000 0.439 414 E N 3.818 124.031 120.200 0.023 0.000 2.408 414 E HA 0.293 4.645 4.350 0.002 0.000 0.259 414 E C 0.135 176.752 176.600 0.029 0.000 1.110 414 E CA -0.204 56.212 56.400 0.028 0.000 0.929 414 E CB 0.898 30.614 29.700 0.026 0.000 0.971 414 E HN 0.639 nan 8.360 nan 0.000 0.438 415 A N 0.751 123.590 122.820 0.032 0.000 2.483 415 A HA 0.491 4.812 4.320 0.002 0.000 0.238 415 A C 0.878 178.478 177.584 0.027 0.000 1.070 415 A CA 0.892 52.949 52.037 0.033 0.000 0.770 415 A CB -0.103 18.918 19.000 0.035 0.000 1.008 415 A HN 0.690 nan 8.150 nan 0.000 0.497 416 G N 1.140 109.955 108.800 0.026 0.000 2.341 416 G HA2 0.063 4.024 3.960 0.002 0.000 0.196 416 G HA3 0.063 4.024 3.960 0.002 0.000 0.196 416 G C -1.071 173.840 174.900 0.018 0.000 1.231 416 G CA -0.123 44.990 45.100 0.020 0.000 1.155 416 G HN 0.821 nan 8.290 nan 0.000 0.529 417 D N 0.846 121.254 120.400 0.014 0.000 2.345 417 D HA 0.577 5.219 4.640 0.002 0.000 0.247 417 D C 0.436 176.744 176.300 0.013 0.000 1.108 417 D CA 0.337 54.344 54.000 0.012 0.000 0.894 417 D CB 1.054 41.859 40.800 0.008 0.000 1.203 417 D HN 0.508 nan 8.370 nan 0.000 0.430 418 I N 1.383 121.963 120.570 0.016 0.000 2.404 418 I HA 0.194 4.366 4.170 0.002 0.000 0.293 418 I C 0.562 176.697 176.117 0.030 0.000 0.992 418 I CA -0.631 60.682 61.300 0.021 0.000 1.149 418 I CB 1.528 39.543 38.000 0.026 0.000 1.315 418 I HN 0.258 nan 8.210 nan 0.000 0.446 419 S N 4.774 120.494 115.700 0.034 0.000 2.718 419 S HA 0.301 4.773 4.470 0.002 0.000 0.300 419 S C 0.671 175.340 174.600 0.114 0.000 1.117 419 S CA -0.515 57.718 58.200 0.056 0.000 1.002 419 S CB 1.447 64.664 63.200 0.028 0.000 1.092 419 S HN 0.606 nan 8.310 nan 0.000 0.542 420 Y N 1.396 121.683 120.300 -0.023 0.000 2.242 420 Y HA -0.012 4.540 4.550 0.002 0.000 0.291 420 Y C 2.336 178.218 175.900 -0.030 0.000 1.137 420 Y CA 1.793 59.880 58.100 -0.021 0.000 1.181 420 Y CB -0.595 37.855 38.460 -0.017 0.000 0.989 420 Y HN 0.898 nan 8.280 nan 0.000 0.527 421 K N 0.337 120.687 120.400 -0.082 0.000 2.113 421 K HA -0.254 4.068 4.320 0.002 0.000 0.208 421 K C 1.784 178.288 176.600 -0.160 0.000 1.047 421 K CA 1.974 58.149 56.287 -0.186 0.000 0.928 421 K CB -0.309 32.122 32.500 -0.114 0.000 0.716 421 K HN 0.531 nan 8.250 nan 0.000 0.446 422 N N -0.304 118.348 118.700 -0.079 0.000 2.069 422 N HA -0.174 4.568 4.740 0.002 0.000 0.191 422 N C 1.747 177.217 175.510 -0.067 0.000 1.031 422 N CA 1.441 54.456 53.050 -0.058 0.000 0.852 422 N CB -0.030 38.448 38.487 -0.015 0.000 1.018 422 N HN -0.045 nan 8.380 nan 0.000 0.423 423 V N 1.578 121.470 119.914 -0.037 0.000 2.343 423 V HA -0.187 3.935 4.120 0.002 0.000 0.247 423 V C 2.089 178.117 176.094 -0.110 0.000 1.051 423 V CA 1.400 63.691 62.300 -0.016 0.000 1.036 423 V CB -0.499 31.400 31.823 0.127 0.000 0.654 423 V HN 0.324 nan 8.190 nan 0.000 0.451 424 L N -0.697 120.374 121.223 -0.254 0.000 2.275 424 L HA -0.156 4.185 4.340 0.002 0.000 0.215 424 L C 2.455 179.186 176.870 -0.231 0.000 1.119 424 L CA 1.365 56.028 54.840 -0.295 0.000 0.790 424 L CB -0.479 41.312 42.059 -0.446 0.000 0.919 424 L HN 0.311 nan 8.230 nan 0.000 0.443 425 K N -0.708 119.576 120.400 -0.194 0.000 2.116 425 K HA -0.044 4.278 4.320 0.002 0.000 0.203 425 K C 2.029 178.530 176.600 -0.165 0.000 1.052 425 K CA 0.726 56.904 56.287 -0.182 0.000 0.952 425 K CB 0.109 32.522 32.500 -0.144 0.000 0.729 425 K HN 0.094 nan 8.250 nan 0.000 0.446 426 V N 1.253 121.094 119.914 -0.122 0.000 2.379 426 V HA -0.165 3.957 4.120 0.002 0.000 0.245 426 V C 0.864 176.884 176.094 -0.123 0.000 1.044 426 V CA 1.403 63.649 62.300 -0.089 0.000 1.036 426 V CB -0.190 31.607 31.823 -0.044 0.000 0.664 426 V HN 0.316 nan 8.190 nan 0.000 0.453 427 Q N 0.657 120.374 119.800 -0.138 0.000 2.607 427 Q HA 0.257 4.598 4.340 0.002 0.000 0.247 427 Q C -2.082 173.775 176.000 -0.238 0.000 1.033 427 Q CA -1.369 54.342 55.803 -0.153 0.000 0.769 427 Q CB 1.890 30.606 28.738 -0.037 0.000 1.169 427 Q HN 0.362 nan 8.270 nan 0.000 0.508 428 P HA 0.072 nan 4.420 nan 0.000 0.267 428 P C 0.274 177.364 177.300 -0.350 0.000 1.289 428 P CA 0.162 62.996 63.100 -0.445 0.000 0.866 428 P CB 0.287 31.674 31.700 -0.521 0.000 1.309 429 F N 0.668 120.636 119.950 0.031 0.000 2.811 429 F HA 0.355 4.883 4.527 0.002 0.000 0.301 429 F C 1.878 177.732 175.800 0.090 0.000 1.151 429 F CA 0.495 58.536 58.000 0.069 0.000 1.412 429 F CB -1.208 37.811 39.000 0.031 0.000 1.113 429 F HN 0.028 nan 8.300 nan 0.000 0.579 430 G N 1.064 109.980 108.800 0.193 0.000 2.225 430 G HA2 -0.342 3.620 3.960 0.002 0.000 0.267 430 G HA3 -0.342 3.620 3.960 0.002 0.000 0.267 430 G C 0.225 175.233 174.900 0.180 0.000 1.024 430 G CA 0.184 45.388 45.100 0.174 0.000 0.784 430 G HN 0.476 nan 8.290 nan 0.000 0.507 431 N N -1.012 117.800 118.700 0.186 0.000 2.326 431 N HA 0.458 5.199 4.740 0.002 0.000 0.239 431 N C 0.459 176.046 175.510 0.127 0.000 1.301 431 N CA 0.320 53.460 53.050 0.149 0.000 0.909 431 N CB 1.063 39.639 38.487 0.149 0.000 1.156 431 N HN 0.602 nan 8.380 nan 0.000 0.462 432 V N -1.823 118.154 119.914 0.105 0.000 2.769 432 V HA 0.518 4.640 4.120 0.002 0.000 0.312 432 V C -0.035 176.117 176.094 0.096 0.000 1.061 432 V CA -0.970 61.389 62.300 0.098 0.000 0.931 432 V CB 1.553 33.410 31.823 0.056 0.000 1.010 432 V HN 0.236 nan 8.190 nan 0.000 0.433 433 V N 4.366 124.352 119.914 0.120 0.000 2.614 433 V HA 0.554 4.675 4.120 0.002 0.000 0.291 433 V C 0.501 176.641 176.094 0.076 0.000 1.049 433 V CA 0.502 62.878 62.300 0.125 0.000 1.038 433 V CB 0.964 32.901 31.823 0.190 0.000 0.980 433 V HN 1.150 nan 8.190 nan 0.000 0.481 434 V N 3.326 123.282 119.914 0.069 0.000 3.158 434 V HA 0.908 5.029 4.120 0.002 0.000 0.311 434 V C -1.118 175.020 176.094 0.072 0.000 1.181 434 V CA -0.899 61.375 62.300 -0.043 0.000 1.054 434 V CB 2.108 33.900 31.823 -0.053 0.000 1.085 434 V HN 0.900 nan 8.190 nan 0.000 0.446 435 Y N -0.675 119.537 120.300 -0.147 0.000 2.625 435 Y HA 0.994 5.546 4.550 0.002 0.000 0.338 435 Y C -0.680 175.188 175.900 -0.053 0.000 1.123 435 Y CA -0.923 57.129 58.100 -0.080 0.000 1.046 435 Y CB 1.419 39.840 38.460 -0.066 0.000 1.299 435 Y HN 1.284 nan 8.280 nan 0.000 0.464 436 A N 1.651 124.576 122.820 0.175 0.000 2.427 436 A HA 0.566 4.887 4.320 0.002 0.000 0.298 436 A C -1.957 175.736 177.584 0.181 0.000 1.036 436 A CA -0.787 51.330 52.037 0.132 0.000 0.701 436 A CB 1.063 20.128 19.000 0.108 0.000 1.250 436 A HN 0.697 nan 8.150 nan 0.000 0.412 437 D N 3.417 123.926 120.400 0.183 0.000 2.280 437 D HA 0.547 5.189 4.640 0.002 0.000 0.243 437 D C 0.214 176.607 176.300 0.155 0.000 1.129 437 D CA 0.351 54.461 54.000 0.183 0.000 0.848 437 D CB 1.201 42.100 40.800 0.165 0.000 1.107 437 D HN 0.687 nan 8.370 nan 0.000 0.471 438 M N -0.686 119.030 119.600 0.194 0.000 2.691 438 M HA 0.525 5.007 4.480 0.002 0.000 0.293 438 M C 0.009 176.444 176.300 0.225 0.000 1.259 438 M CA -0.946 54.459 55.300 0.174 0.000 0.827 438 M CB 1.767 34.455 32.600 0.146 0.000 1.753 438 M HN 0.124 nan 8.290 nan 0.000 0.465 439 T N -1.535 113.122 114.554 0.171 0.000 2.849 439 T HA 0.415 4.766 4.350 0.002 0.000 0.284 439 T C 1.168 175.974 174.700 0.176 0.000 1.004 439 T CA -0.060 62.151 62.100 0.186 0.000 1.021 439 T CB 1.000 69.936 68.868 0.114 0.000 1.013 439 T HN 0.865 nan 8.240 nan 0.000 0.527 440 G N 0.127 109.044 108.800 0.195 0.000 2.432 440 G HA2 -0.209 3.753 3.960 0.002 0.000 0.219 440 G HA3 -0.209 3.753 3.960 0.002 0.000 0.219 440 G C 1.392 176.247 174.900 -0.075 0.000 1.135 440 G CA 0.908 45.981 45.100 -0.045 0.000 0.767 440 G HN 0.852 nan 8.290 nan 0.000 0.550 441 K N 0.482 120.885 120.400 0.005 0.000 2.097 441 K HA -0.052 4.269 4.320 0.002 0.000 0.205 441 K C 2.319 178.925 176.600 0.011 0.000 1.050 441 K CA 1.307 57.592 56.287 -0.003 0.000 0.938 441 K CB -0.121 32.389 32.500 0.016 0.000 0.718 441 K HN 0.399 nan 8.250 nan 0.000 0.442 442 E N 0.037 120.262 120.200 0.041 0.000 2.150 442 E HA -0.138 4.214 4.350 0.002 0.000 0.193 442 E C 1.949 178.609 176.600 0.099 0.000 0.985 442 E CA 1.060 57.504 56.400 0.074 0.000 0.814 442 E CB 0.113 29.865 29.700 0.087 0.000 0.752 442 E HN 0.086 nan 8.360 nan 0.000 0.466 443 V N 1.681 121.616 119.914 0.036 0.000 2.287 443 V HA -0.285 3.837 4.120 0.002 0.000 0.248 443 V C 2.263 178.363 176.094 0.010 0.000 1.053 443 V CA 1.641 63.947 62.300 0.009 0.000 1.027 443 V CB -0.415 31.209 31.823 -0.331 0.000 0.646 443 V HN 0.268 nan 8.190 nan 0.000 0.447 444 I N 0.157 120.685 120.570 -0.069 0.000 2.127 444 I HA -0.257 3.914 4.170 0.002 0.000 0.241 444 I C 2.345 178.451 176.117 -0.019 0.000 1.075 444 I CA 1.828 63.086 61.300 -0.070 0.000 1.334 444 I CB -0.608 37.342 38.000 -0.084 0.000 1.040 444 I HN 0.348 nan 8.210 nan 0.000 0.405 445 D N -0.020 120.392 120.400 0.021 0.000 2.117 445 D HA -0.231 4.410 4.640 0.002 0.000 0.197 445 D C 1.935 178.277 176.300 0.069 0.000 0.987 445 D CA 1.415 55.433 54.000 0.029 0.000 0.829 445 D CB -0.431 40.395 40.800 0.043 0.000 0.961 445 D HN 0.369 nan 8.370 nan 0.000 0.460 446 Y N 1.610 121.922 120.300 0.020 0.000 2.089 446 Y HA -0.160 4.392 4.550 0.002 0.000 0.282 446 Y C 2.326 178.264 175.900 0.064 0.000 1.139 446 Y CA 1.397 59.532 58.100 0.059 0.000 1.123 446 Y CB -0.442 38.098 38.460 0.133 0.000 0.980 446 Y HN -0.123 nan 8.280 nan 0.000 0.493 447 L N -0.943 120.389 121.223 0.181 0.000 2.131 447 L HA -0.232 4.110 4.340 0.002 0.000 0.210 447 L C 2.277 179.080 176.870 -0.112 0.000 1.092 447 L CA 1.666 56.569 54.840 0.105 0.000 0.759 447 L CB -0.936 41.210 42.059 0.145 0.000 0.903 447 L HN 0.249 nan 8.230 nan 0.000 0.435 448 T N 0.022 114.487 114.554 -0.148 0.000 2.708 448 T HA -0.175 4.176 4.350 0.002 0.000 0.266 448 T C 2.056 176.660 174.700 -0.160 0.000 1.037 448 T CA 1.407 63.390 62.100 -0.196 0.000 1.146 448 T CB -0.197 68.585 68.868 -0.144 0.000 0.865 448 T HN 0.460 nan 8.240 nan 0.000 0.435 449 A N 0.981 123.700 122.820 -0.168 0.000 1.858 449 A HA -0.053 4.269 4.320 0.002 0.000 0.216 449 A C 2.596 180.024 177.584 -0.259 0.000 1.190 449 A CA 1.455 53.373 52.037 -0.198 0.000 0.617 449 A CB -1.082 17.783 19.000 -0.224 0.000 0.827 449 A HN 0.341 nan 8.150 nan 0.000 0.443 450 V N 0.016 119.708 119.914 -0.370 0.000 2.407 450 V HA -0.254 3.867 4.120 0.002 0.000 0.248 450 V C 2.991 179.048 176.094 -0.063 0.000 1.055 450 V CA 1.847 63.894 62.300 -0.421 0.000 1.049 450 V CB -1.228 30.330 31.823 -0.442 0.000 0.662 450 V HN 0.615 nan 8.190 nan 0.000 0.455 451 A N -0.963 121.928 122.820 0.118 0.000 2.131 451 A HA -0.262 4.060 4.320 0.002 0.000 0.220 451 A C 2.060 179.842 177.584 0.330 0.000 1.158 451 A CA 1.564 53.821 52.037 0.367 0.000 0.665 451 A CB -0.448 18.509 19.000 -0.072 0.000 0.795 451 A HN 0.664 nan 8.150 nan 0.000 0.460 452 Q N -0.807 119.042 119.800 0.081 0.000 2.403 452 Q HA 0.140 4.482 4.340 0.002 0.000 0.203 452 Q C -0.155 175.838 176.000 -0.012 0.000 0.932 452 Q CA -0.224 55.606 55.803 0.045 0.000 0.945 452 Q CB 0.044 28.775 28.738 -0.012 0.000 1.045 452 Q HN 0.501 nan 8.270 nan 0.000 0.511 453 M N 1.281 120.857 119.600 -0.040 0.000 2.228 453 M HA 0.148 4.630 4.480 0.002 0.000 0.351 453 M C 0.014 176.288 176.300 -0.044 0.000 1.233 453 M CA 0.581 55.849 55.300 -0.054 0.000 1.129 453 M CB 0.479 33.032 32.600 -0.078 0.000 1.604 453 M HN -0.085 nan 8.290 nan 0.000 0.457 454 K N 2.812 123.184 120.400 -0.046 0.000 2.087 454 K HA 0.524 4.846 4.320 0.002 0.000 0.255 454 K C -2.335 174.193 176.600 -0.120 0.000 0.988 454 K CA -1.558 54.670 56.287 -0.097 0.000 0.915 454 K CB 0.331 32.767 32.500 -0.107 0.000 1.043 454 K HN 0.313 nan 8.250 nan 0.000 0.457 455 P HA -0.021 nan 4.420 nan 0.000 0.273 455 P C -0.663 176.191 177.300 -0.743 0.000 1.250 455 P CA 0.304 63.002 63.100 -0.669 0.000 0.793 455 P CB 0.303 31.642 31.700 -0.601 0.000 1.011 456 D N -1.582 117.950 120.400 -1.446 0.000 2.870 456 D HA -0.156 4.485 4.640 0.002 0.000 0.228 456 D C -0.858 175.188 176.300 -0.423 0.000 1.147 456 D CA 1.223 54.554 54.000 -1.115 0.000 0.757 456 D CB -1.426 39.041 40.800 -0.555 0.000 1.091 456 D HN 0.255 nan 8.370 nan 0.000 0.429 457 S N -2.511 112.995 115.700 -0.323 0.000 2.546 457 S HA 0.663 5.135 4.470 0.002 0.000 0.274 457 S C 1.245 175.846 174.600 0.001 0.000 1.121 457 S CA -0.116 58.026 58.200 -0.097 0.000 0.887 457 S CB 1.502 64.671 63.200 -0.052 0.000 1.094 457 S HN 0.283 nan 8.310 nan 0.000 0.474 458 G N 1.733 110.568 108.800 0.059 0.000 2.443 458 G HA2 0.050 4.011 3.960 0.002 0.000 0.219 458 G HA3 0.050 4.011 3.960 0.002 0.000 0.219 458 G C 1.290 176.277 174.900 0.145 0.000 1.131 458 G CA 0.818 45.980 45.100 0.104 0.000 0.775 458 G HN 1.000 nan 8.290 nan 0.000 0.547 459 A N -0.428 122.489 122.820 0.161 0.000 2.168 459 A HA 0.213 4.535 4.320 0.002 0.000 0.215 459 A C 0.975 178.704 177.584 0.241 0.000 1.152 459 A CA -0.325 51.863 52.037 0.251 0.000 0.716 459 A CB -0.481 18.658 19.000 0.232 0.000 0.794 459 A HN 0.412 nan 8.150 nan 0.000 0.465 460 Y N 2.588 122.906 120.300 0.029 0.000 2.805 460 Y HA 0.184 4.736 4.550 0.002 0.000 0.331 460 Y C -2.272 173.654 175.900 0.043 0.000 1.241 460 Y CA -2.085 55.996 58.100 -0.031 0.000 1.546 460 Y CB 0.394 38.778 38.460 -0.126 0.000 1.248 460 Y HN 0.157 nan 8.280 nan 0.000 0.559 461 P HA 0.082 nan 4.420 nan 0.000 0.284 461 P C -1.363 175.503 177.300 -0.724 0.000 1.253 461 P CA -0.353 62.392 63.100 -0.590 0.000 0.800 461 P CB 1.393 32.672 31.700 -0.703 0.000 0.961 462 Q N 2.330 121.900 119.800 -0.384 0.000 2.325 462 Q HA 0.450 4.791 4.340 0.002 0.000 0.262 462 Q C -0.695 175.198 176.000 -0.178 0.000 0.968 462 Q CA -0.339 55.395 55.803 -0.116 0.000 0.877 462 Q CB 1.020 29.779 28.738 0.035 0.000 1.253 462 Q HN 0.420 nan 8.270 nan 0.000 0.448 463 F N 0.542 120.582 119.950 0.151 0.000 2.523 463 F HA 0.766 5.295 4.527 0.002 0.000 0.329 463 F C 0.174 176.063 175.800 0.149 0.000 1.061 463 F CA -1.005 57.099 58.000 0.173 0.000 0.967 463 F CB 1.792 40.884 39.000 0.153 0.000 1.218 463 F HN 0.456 nan 8.300 nan 0.000 0.480 464 A N 1.731 124.780 122.820 0.382 0.000 2.398 464 A HA 0.624 4.946 4.320 0.002 0.000 0.301 464 A C -0.302 177.449 177.584 0.278 0.000 1.041 464 A CA -0.745 51.451 52.037 0.264 0.000 0.711 464 A CB 0.747 19.865 19.000 0.198 0.000 1.240 464 A HN 0.823 nan 8.150 nan 0.000 0.420 465 N N -0.683 118.134 118.700 0.195 0.000 2.782 465 N HA -0.141 4.600 4.740 0.002 0.000 0.251 465 N C -0.501 175.090 175.510 0.135 0.000 1.101 465 N CA 1.419 54.569 53.050 0.166 0.000 0.764 465 N CB -1.359 37.258 38.487 0.216 0.000 1.122 465 N HN 0.608 nan 8.380 nan 0.000 0.561 466 V N -0.234 119.739 119.914 0.098 0.000 2.555 466 V HA 0.726 4.848 4.120 0.002 0.000 0.302 466 V C 0.139 176.097 176.094 -0.226 0.000 1.038 466 V CA -0.548 61.733 62.300 -0.031 0.000 0.887 466 V CB 2.139 33.977 31.823 0.026 0.000 0.991 466 V HN 0.160 nan 8.190 nan 0.000 0.434 467 S N 4.277 119.832 115.700 -0.242 0.000 2.571 467 S HA 0.936 5.407 4.470 0.002 0.000 0.284 467 S C -1.229 173.214 174.600 -0.262 0.000 1.128 467 S CA -0.461 57.543 58.200 -0.327 0.000 0.970 467 S CB 1.056 64.154 63.200 -0.170 0.000 1.039 467 S HN 0.872 nan 8.310 nan 0.000 0.485 468 F N 1.395 121.171 119.950 -0.290 0.000 2.900 468 F HA 0.727 5.255 4.527 0.002 0.000 0.321 468 F C -2.230 173.372 175.800 -0.329 0.000 1.160 468 F CA -1.136 56.685 58.000 -0.299 0.000 0.890 468 F CB 0.543 39.333 39.000 -0.350 0.000 1.334 468 F HN 0.249 nan 8.300 nan 0.000 0.459 469 V N 1.653 121.661 119.914 0.158 0.000 2.525 469 V HA 0.845 4.966 4.120 0.002 0.000 0.299 469 V C -0.273 175.817 176.094 -0.007 0.000 1.034 469 V CA -0.428 61.887 62.300 0.026 0.000 0.863 469 V CB 1.060 32.871 31.823 -0.021 0.000 0.999 469 V HN 1.244 nan 8.190 nan 0.000 0.423 470 A N 5.294 128.053 122.820 -0.101 0.000 2.324 470 A HA 0.999 5.320 4.320 0.002 0.000 0.330 470 A C -0.369 177.211 177.584 -0.006 0.000 1.165 470 A CA -0.613 51.324 52.037 -0.166 0.000 0.813 470 A CB 1.159 19.943 19.000 -0.360 0.000 1.197 470 A HN 1.017 nan 8.150 nan 0.000 0.484 471 K N 1.178 121.579 120.400 0.002 0.000 2.580 471 K HA 0.422 4.744 4.320 0.002 0.000 0.258 471 K C -1.419 175.192 176.600 0.019 0.000 0.936 471 K CA -0.649 55.663 56.287 0.043 0.000 0.852 471 K CB 1.096 33.616 32.500 0.033 0.000 1.329 471 K HN 0.422 nan 8.250 nan 0.000 0.430 472 D N 1.963 122.384 120.400 0.035 0.000 2.800 472 D HA -0.182 4.460 4.640 0.002 0.000 0.232 472 D C 0.798 177.099 176.300 0.001 0.000 1.137 472 D CA 2.026 56.035 54.000 0.016 0.000 0.718 472 D CB -1.395 39.408 40.800 0.005 0.000 1.084 472 D HN 1.362 nan 8.370 nan 0.000 0.432 473 G N -0.381 108.425 108.800 0.009 0.000 2.168 473 G HA2 -0.369 3.593 3.960 0.002 0.000 0.257 473 G HA3 -0.369 3.593 3.960 0.002 0.000 0.257 473 G C 0.168 175.032 174.900 -0.059 0.000 0.997 473 G CA 1.054 46.145 45.100 -0.015 0.000 0.708 473 G HN 0.524 nan 8.290 nan 0.000 0.520 474 K N -0.635 119.721 120.400 -0.073 0.000 2.318 474 K HA 0.720 5.041 4.320 0.002 0.000 0.249 474 K C -0.063 176.430 176.600 -0.178 0.000 0.942 474 K CA -0.951 55.269 56.287 -0.110 0.000 0.808 474 K CB 1.987 34.443 32.500 -0.073 0.000 1.189 474 K HN 0.076 nan 8.250 nan 0.000 0.428 475 L N 3.093 124.179 121.223 -0.228 0.000 2.262 475 L HA 0.325 4.666 4.340 0.002 0.000 0.288 475 L C -0.522 176.251 176.870 -0.162 0.000 1.035 475 L CA -0.817 53.838 54.840 -0.309 0.000 0.820 475 L CB 0.634 42.420 42.059 -0.453 0.000 1.204 475 L HN 0.514 nan 8.230 nan 0.000 0.424 476 N N 2.620 121.257 118.700 -0.105 0.000 2.456 476 N HA 0.086 4.827 4.740 0.002 0.000 0.288 476 N C -0.124 175.366 175.510 -0.033 0.000 1.059 476 N CA -0.365 52.651 53.050 -0.058 0.000 0.946 476 N CB 1.486 39.948 38.487 -0.042 0.000 1.150 476 N HN 0.512 nan 8.380 nan 0.000 0.479 477 D N 0.690 121.069 120.400 -0.036 0.000 2.705 477 D HA -0.199 4.443 4.640 0.002 0.000 0.240 477 D C -0.706 175.579 176.300 -0.025 0.000 1.137 477 D CA 0.289 54.271 54.000 -0.030 0.000 0.677 477 D CB -0.940 39.843 40.800 -0.028 0.000 1.049 477 D HN 0.479 nan 8.370 nan 0.000 0.427 478 L N 0.595 121.797 121.223 -0.035 0.000 2.416 478 L HA 0.394 4.736 4.340 0.002 0.000 0.272 478 L C 0.053 176.885 176.870 -0.062 0.000 1.161 478 L CA 0.620 55.442 54.840 -0.030 0.000 0.845 478 L CB 0.521 42.533 42.059 -0.078 0.000 1.119 478 L HN 0.125 nan 8.230 nan 0.000 0.464 479 K N 5.991 126.349 120.400 -0.070 0.000 2.498 479 K HA 0.536 4.858 4.320 0.002 0.000 0.254 479 K C -1.584 174.957 176.600 -0.099 0.000 0.933 479 K CA -0.828 55.412 56.287 -0.077 0.000 0.806 479 K CB 2.142 34.612 32.500 -0.051 0.000 1.301 479 K HN 0.371 nan 8.250 nan 0.000 0.432 480 I N 3.075 123.594 120.570 -0.086 0.000 2.355 480 I HA 0.188 4.359 4.170 0.002 0.000 0.288 480 I C -0.013 176.128 176.117 0.040 0.000 0.999 480 I CA -0.524 60.738 61.300 -0.064 0.000 1.163 480 I CB 0.913 38.849 38.000 -0.108 0.000 1.316 480 I HN 0.701 nan 8.210 nan 0.000 0.454 481 K N 4.480 124.912 120.400 0.054 0.000 3.150 481 K HA -0.218 4.103 4.320 0.002 0.000 0.267 481 K C 0.998 177.619 176.600 0.035 0.000 1.028 481 K CA 0.560 56.883 56.287 0.061 0.000 0.753 481 K CB -1.620 30.932 32.500 0.086 0.000 1.288 481 K HN 1.168 nan 8.250 nan 0.000 0.473 482 G N -0.474 108.333 108.800 0.012 0.000 2.196 482 G HA2 -0.323 3.639 3.960 0.002 0.000 0.268 482 G HA3 -0.323 3.639 3.960 0.002 0.000 0.268 482 G C -0.164 174.738 174.900 0.004 0.000 0.975 482 G CA 0.955 46.055 45.100 0.001 0.000 0.648 482 G HN 0.409 nan 8.290 nan 0.000 0.538 483 E N 0.764 120.973 120.200 0.016 0.000 2.212 483 E HA 0.454 4.806 4.350 0.002 0.000 0.268 483 E C -2.380 174.229 176.600 0.015 0.000 0.902 483 E CA -2.023 54.391 56.400 0.023 0.000 0.779 483 E CB 2.299 32.027 29.700 0.046 0.000 1.172 483 E HN 0.193 nan 8.360 nan 0.000 0.409 484 P HA 0.037 nan 4.420 nan 0.000 0.270 484 P C -0.027 177.275 177.300 0.004 0.000 1.223 484 P CA -0.287 62.807 63.100 -0.011 0.000 0.785 484 P CB 0.640 32.336 31.700 -0.007 0.000 0.923 485 V N 2.482 122.364 119.914 -0.054 0.000 2.488 485 V HA 0.054 4.176 4.120 0.002 0.000 0.277 485 V C 0.848 176.948 176.094 0.009 0.000 1.046 485 V CA 0.127 62.375 62.300 -0.088 0.000 0.986 485 V CB 0.273 31.940 31.823 -0.259 0.000 0.989 485 V HN 0.552 nan 8.190 nan 0.000 0.475 486 D N 7.269 127.757 120.400 0.147 0.000 2.411 486 D HA 0.253 4.895 4.640 0.002 0.000 0.225 486 D C -1.506 174.877 176.300 0.139 0.000 1.156 486 D CA -2.201 51.881 54.000 0.136 0.000 0.874 486 D CB 1.875 42.771 40.800 0.159 0.000 1.034 486 D HN 0.201 nan 8.370 nan 0.000 0.502 487 P HA -0.196 nan 4.420 nan 0.000 0.219 487 P C 0.608 177.959 177.300 0.084 0.000 1.151 487 P CA 1.621 64.750 63.100 0.049 0.000 0.850 487 P CB 0.316 32.031 31.700 0.025 0.000 0.784 488 A N -2.389 120.486 122.820 0.092 0.000 2.267 488 A HA 0.066 4.388 4.320 0.002 0.000 0.213 488 A C 1.144 178.790 177.584 0.103 0.000 1.192 488 A CA -0.055 52.032 52.037 0.085 0.000 0.851 488 A CB -0.535 18.497 19.000 0.054 0.000 0.881 488 A HN 0.080 nan 8.150 nan 0.000 0.494 489 K N 0.425 120.918 120.400 0.155 0.000 2.126 489 K HA 0.326 4.647 4.320 0.002 0.000 0.257 489 K C -0.816 175.862 176.600 0.130 0.000 1.007 489 K CA -0.098 56.242 56.287 0.090 0.000 0.928 489 K CB 0.494 33.001 32.500 0.011 0.000 1.013 489 K HN 0.120 nan 8.250 nan 0.000 0.473 490 T N 3.043 117.584 114.554 -0.021 0.000 2.771 490 T HA 0.292 4.644 4.350 0.002 0.000 0.291 490 T C -1.164 173.478 174.700 -0.096 0.000 0.954 490 T CA -0.171 61.957 62.100 0.046 0.000 1.045 490 T CB 0.097 68.982 68.868 0.029 0.000 0.917 490 T HN 0.301 nan 8.240 nan 0.000 0.484 491 Y N 1.426 121.797 120.300 0.118 0.000 2.468 491 Y HA 0.600 5.151 4.550 0.002 0.000 0.342 491 Y C 0.467 176.499 175.900 0.220 0.000 1.021 491 Y CA -1.418 56.791 58.100 0.182 0.000 1.079 491 Y CB 1.505 40.103 38.460 0.229 0.000 1.226 491 Y HN 0.448 nan 8.280 nan 0.000 0.460 492 R N 3.309 124.015 120.500 0.343 0.000 2.445 492 R HA 0.649 4.990 4.340 0.002 0.000 0.308 492 R C -1.335 175.034 176.300 0.115 0.000 0.961 492 R CA -0.579 55.645 56.100 0.207 0.000 0.862 492 R CB 1.041 31.390 30.300 0.081 0.000 1.144 492 R HN 0.908 nan 8.270 nan 0.000 0.447 493 M N 3.778 123.328 119.600 -0.084 0.000 2.456 493 M HA 0.585 5.066 4.480 0.002 0.000 0.324 493 M C -1.437 174.740 176.300 -0.205 0.000 1.124 493 M CA -0.557 54.419 55.300 -0.540 0.000 0.959 493 M CB 2.061 34.106 32.600 -0.926 0.000 1.692 493 M HN 0.801 nan 8.290 nan 0.000 0.444 494 A N 2.929 125.636 122.820 -0.188 0.000 2.340 494 A HA 0.890 5.212 4.320 0.002 0.000 0.331 494 A C -0.467 177.105 177.584 -0.019 0.000 1.140 494 A CA -0.400 51.622 52.037 -0.023 0.000 0.801 494 A CB 1.844 20.845 19.000 0.001 0.000 1.234 494 A HN 0.892 nan 8.150 nan 0.000 0.469 495 T N -0.002 114.580 114.554 0.047 0.000 2.661 495 T HA 0.463 4.814 4.350 0.002 0.000 0.305 495 T C -1.681 173.073 174.700 0.090 0.000 1.535 495 T CA -0.470 61.670 62.100 0.066 0.000 1.000 495 T CB 0.294 69.213 68.868 0.084 0.000 1.811 495 T HN 0.481 nan 8.240 nan 0.000 0.471 496 L N 3.325 124.607 121.223 0.099 0.000 2.352 496 L HA 0.471 4.812 4.340 0.002 0.000 0.269 496 L C 1.890 178.838 176.870 0.131 0.000 1.034 496 L CA -0.438 54.474 54.840 0.119 0.000 0.806 496 L CB 1.107 43.247 42.059 0.136 0.000 1.244 496 L HN 0.939 nan 8.230 nan 0.000 0.447 497 N N 1.104 119.878 118.700 0.124 0.000 2.205 497 N HA -0.283 4.458 4.740 0.002 0.000 0.186 497 N C 1.613 177.157 175.510 0.057 0.000 1.015 497 N CA 1.377 54.492 53.050 0.107 0.000 0.862 497 N CB -0.746 37.781 38.487 0.068 0.000 0.986 497 N HN 0.610 nan 8.380 nan 0.000 0.429 498 F N 2.178 122.088 119.950 -0.067 0.000 2.043 498 F HA -0.216 4.312 4.527 0.002 0.000 0.297 498 F C 1.693 177.420 175.800 -0.121 0.000 1.121 498 F CA 2.067 60.001 58.000 -0.111 0.000 1.199 498 F CB -0.620 38.312 39.000 -0.113 0.000 0.968 498 F HN 0.009 nan 8.300 nan 0.000 0.478 499 N N 0.350 119.005 118.700 -0.075 0.000 2.216 499 N HA -0.042 4.699 4.740 0.002 0.000 0.183 499 N C 1.879 177.325 175.510 -0.106 0.000 1.017 499 N CA 1.210 54.095 53.050 -0.275 0.000 0.861 499 N CB -0.547 37.778 38.487 -0.269 0.000 0.986 499 N HN 0.410 nan 8.380 nan 0.000 0.428 500 A N 0.302 123.106 122.820 -0.027 0.000 2.019 500 A HA -0.109 4.213 4.320 0.002 0.000 0.219 500 A C 2.002 179.485 177.584 -0.169 0.000 1.164 500 A CA 1.784 53.797 52.037 -0.039 0.000 0.644 500 A CB -0.977 18.047 19.000 0.039 0.000 0.805 500 A HN 0.453 nan 8.150 nan 0.000 0.449 501 T N -4.769 109.673 114.554 -0.185 0.000 3.188 501 T HA 0.441 4.792 4.350 0.002 0.000 0.250 501 T C 1.159 175.751 174.700 -0.181 0.000 1.077 501 T CA 0.989 62.967 62.100 -0.204 0.000 0.967 501 T CB 0.194 68.950 68.868 -0.187 0.000 1.006 501 T HN 1.578 nan 8.240 nan 0.000 0.552 502 G N 0.341 109.035 108.800 -0.177 0.000 2.184 502 G HA2 -0.032 3.929 3.960 0.002 0.000 0.206 502 G HA3 -0.032 3.929 3.960 0.002 0.000 0.206 502 G C 0.472 175.213 174.900 -0.264 0.000 0.995 502 G CA -0.357 44.657 45.100 -0.144 0.000 0.651 502 G HN 0.963 nan 8.290 nan 0.000 0.511 503 G N 0.031 108.468 108.800 -0.604 0.000 2.391 503 G HA2 0.422 4.384 3.960 0.002 0.000 0.234 503 G HA3 0.422 4.384 3.960 0.002 0.000 0.234 503 G C 0.614 175.151 174.900 -0.605 0.000 1.284 503 G CA 1.036 45.443 45.100 -1.156 0.000 0.873 503 G HN 0.779 nan 8.290 nan 0.000 0.549 504 D N 0.179 120.436 120.400 -0.237 0.000 2.983 504 D HA -0.201 4.440 4.640 0.002 0.000 0.225 504 D C 1.633 178.037 176.300 0.173 0.000 1.174 504 D CA 2.606 56.666 54.000 0.100 0.000 0.831 504 D CB -1.249 39.695 40.800 0.240 0.000 1.104 504 D HN 1.773 nan 8.370 nan 0.000 0.421 505 G N -1.395 107.443 108.800 0.062 0.000 2.148 505 G HA2 -0.390 3.571 3.960 0.002 0.000 0.254 505 G HA3 -0.390 3.571 3.960 0.002 0.000 0.254 505 G C 0.204 175.160 174.900 0.095 0.000 0.981 505 G CA 0.356 45.490 45.100 0.055 0.000 0.670 505 G HN 0.419 nan 8.290 nan 0.000 0.528 506 Y N 0.659 120.897 120.300 -0.102 0.000 2.480 506 Y HA 0.401 4.952 4.550 0.002 0.000 0.338 506 Y C -1.432 174.440 175.900 -0.048 0.000 1.220 506 Y CA -1.816 56.233 58.100 -0.086 0.000 1.430 506 Y CB 0.197 38.631 38.460 -0.045 0.000 1.311 506 Y HN 0.010 nan 8.280 nan 0.000 0.575 507 P HA 0.019 nan 4.420 nan 0.000 0.264 507 P C -0.334 177.079 177.300 0.188 0.000 1.193 507 P CA 0.163 63.334 63.100 0.118 0.000 0.763 507 P CB 0.420 32.206 31.700 0.143 0.000 0.810 508 R N 3.151 123.693 120.500 0.069 0.000 2.489 508 R HA 0.126 4.467 4.340 0.002 0.000 0.287 508 R C 0.860 177.139 176.300 -0.036 0.000 1.053 508 R CA 0.219 56.314 56.100 -0.009 0.000 1.036 508 R CB 0.222 30.488 30.300 -0.055 0.000 0.966 508 R HN 0.596 nan 8.270 nan 0.000 0.432 509 L N 1.932 123.066 121.223 -0.149 0.000 2.717 509 L HA -0.005 4.337 4.340 0.002 0.000 0.239 509 L C 1.800 178.355 176.870 -0.526 0.000 1.086 509 L CA 0.065 54.774 54.840 -0.220 0.000 0.897 509 L CB -0.015 41.951 42.059 -0.155 0.000 1.214 509 L HN 0.648 nan 8.230 nan 0.000 0.508 510 D N 0.833 120.734 120.400 -0.833 0.000 2.218 510 D HA -0.240 4.402 4.640 0.002 0.000 0.204 510 D C 0.914 176.949 176.300 -0.441 0.000 0.976 510 D CA 1.390 54.667 54.000 -1.205 0.000 0.853 510 D CB -0.480 39.835 40.800 -0.809 0.000 0.939 510 D HN 0.624 nan 8.370 nan 0.000 0.481 511 N N -0.215 118.330 118.700 -0.258 0.000 2.295 511 N HA 0.020 4.761 4.740 0.002 0.000 0.221 511 N C -0.039 175.430 175.510 -0.067 0.000 1.129 511 N CA -0.480 52.500 53.050 -0.117 0.000 0.836 511 N CB 0.354 38.789 38.487 -0.086 0.000 1.040 511 N HN -0.107 nan 8.380 nan 0.000 0.494 512 K N 1.148 121.507 120.400 -0.068 0.000 2.295 512 K HA 0.493 4.814 4.320 0.002 0.000 0.239 512 K C -2.687 173.931 176.600 0.029 0.000 0.991 512 K CA -1.877 54.403 56.287 -0.012 0.000 0.845 512 K CB 1.144 33.638 32.500 -0.009 0.000 1.197 512 K HN -0.087 nan 8.250 nan 0.000 0.441 513 P HA 0.223 nan 4.420 nan 0.000 0.275 513 P C 0.522 177.860 177.300 0.064 0.000 1.228 513 P CA 0.284 63.412 63.100 0.047 0.000 0.786 513 P CB 0.589 32.311 31.700 0.038 0.000 0.927 514 G N 0.348 109.185 108.800 0.061 0.000 2.213 514 G HA2 -0.270 3.691 3.960 0.002 0.000 0.236 514 G HA3 -0.270 3.691 3.960 0.002 0.000 0.236 514 G C -0.132 174.791 174.900 0.037 0.000 0.991 514 G CA -0.313 44.825 45.100 0.063 0.000 0.629 514 G HN 0.559 nan 8.290 nan 0.000 0.517 515 Y N 1.327 121.566 120.300 -0.101 0.000 2.425 515 Y HA 0.509 5.060 4.550 0.002 0.000 0.331 515 Y C 0.073 175.802 175.900 -0.285 0.000 1.157 515 Y CA -0.148 57.844 58.100 -0.180 0.000 1.372 515 Y CB 1.185 39.569 38.460 -0.127 0.000 1.253 515 Y HN 0.252 nan 8.280 nan 0.000 0.536 516 V N 6.816 125.999 119.914 -1.219 0.000 2.668 516 V HA 0.208 4.329 4.120 0.002 0.000 0.304 516 V C -0.891 174.469 176.094 -1.225 0.000 1.071 516 V CA -1.310 60.312 62.300 -1.130 0.000 0.894 516 V CB 1.837 32.923 31.823 -1.228 0.000 1.008 516 V HN 0.817 nan 8.190 nan 0.000 0.425 517 N N 2.548 120.752 118.700 -0.827 0.000 2.437 517 N HA 0.146 4.888 4.740 0.002 0.000 0.259 517 N C 1.109 176.390 175.510 -0.381 0.000 0.983 517 N CA 0.324 53.062 53.050 -0.521 0.000 0.937 517 N CB 2.122 40.444 38.487 -0.275 0.000 1.122 517 N HN 0.847 nan 8.380 nan 0.000 0.499 518 T N 0.608 114.957 114.554 -0.343 0.000 3.055 518 T HA 0.121 4.472 4.350 0.002 0.000 0.265 518 T C 1.368 175.657 174.700 -0.686 0.000 1.111 518 T CA 0.897 62.689 62.100 -0.514 0.000 1.118 518 T CB -0.295 68.250 68.868 -0.539 0.000 0.909 518 T HN 0.663 nan 8.240 nan 0.000 0.501 519 G N 0.974 109.562 108.800 -0.353 0.000 2.212 519 G HA2 -0.234 3.727 3.960 0.002 0.000 0.266 519 G HA3 -0.234 3.727 3.960 0.002 0.000 0.266 519 G C -0.094 174.746 174.900 -0.100 0.000 0.978 519 G CA 0.112 45.081 45.100 -0.218 0.000 0.632 519 G HN 0.560 nan 8.290 nan 0.000 0.537 520 F N 1.911 121.883 119.950 0.036 0.000 2.504 520 F HA 0.456 4.985 4.527 0.002 0.000 0.369 520 F C 1.197 177.030 175.800 0.054 0.000 1.082 520 F CA -1.665 56.362 58.000 0.044 0.000 1.216 520 F CB 0.394 39.421 39.000 0.044 0.000 1.108 520 F HN -0.077 nan 8.300 nan 0.000 0.554 521 I N 4.566 125.288 120.570 0.254 0.000 2.556 521 I HA -0.039 4.133 4.170 0.002 0.000 0.284 521 I C 1.298 177.514 176.117 0.165 0.000 1.114 521 I CA -0.296 61.112 61.300 0.179 0.000 1.418 521 I CB 0.395 38.492 38.000 0.161 0.000 1.394 521 I HN 0.599 nan 8.210 nan 0.000 0.552 522 D N 6.078 126.563 120.400 0.142 0.000 2.154 522 D HA -0.280 4.361 4.640 0.002 0.000 0.190 522 D C 1.733 178.098 176.300 0.108 0.000 1.003 522 D CA 2.069 56.139 54.000 0.117 0.000 0.849 522 D CB -0.320 40.542 40.800 0.103 0.000 0.942 522 D HN 0.585 nan 8.370 nan 0.000 0.446 523 A N 0.254 123.146 122.820 0.120 0.000 1.969 523 A HA -0.153 4.169 4.320 0.002 0.000 0.218 523 A C 2.149 179.858 177.584 0.209 0.000 1.169 523 A CA 1.407 53.535 52.037 0.153 0.000 0.635 523 A CB -0.332 18.750 19.000 0.137 0.000 0.810 523 A HN 0.160 nan 8.150 nan 0.000 0.445 524 E N -0.128 120.174 120.200 0.170 0.000 2.107 524 E HA -0.079 4.272 4.350 0.002 0.000 0.191 524 E C 2.165 178.788 176.600 0.037 0.000 0.982 524 E CA 1.150 57.603 56.400 0.089 0.000 0.809 524 E CB -0.452 29.298 29.700 0.082 0.000 0.756 524 E HN 0.407 nan 8.360 nan 0.000 0.459 525 V N 1.677 121.626 119.914 0.058 0.000 2.358 525 V HA -0.222 3.900 4.120 0.002 0.000 0.246 525 V C 2.443 178.572 176.094 0.059 0.000 1.047 525 V CA 1.312 63.627 62.300 0.026 0.000 1.035 525 V CB -0.461 31.392 31.823 0.050 0.000 0.658 525 V HN 0.157 nan 8.190 nan 0.000 0.452 526 L N 0.603 121.871 121.223 0.076 0.000 2.056 526 L HA -0.143 4.198 4.340 0.002 0.000 0.207 526 L C 2.442 179.384 176.870 0.120 0.000 1.078 526 L CA 2.268 57.165 54.840 0.095 0.000 0.749 526 L CB -0.860 41.242 42.059 0.071 0.000 0.901 526 L HN 0.312 nan 8.230 nan 0.000 0.433 527 K N -0.425 120.034 120.400 0.098 0.000 2.009 527 K HA -0.214 4.107 4.320 0.002 0.000 0.210 527 K C 1.952 178.552 176.600 -0.001 0.000 1.049 527 K CA 1.739 58.052 56.287 0.043 0.000 0.929 527 K CB -0.351 32.101 32.500 -0.081 0.000 0.714 527 K HN 0.424 nan 8.250 nan 0.000 0.440 528 A N 0.139 122.952 122.820 -0.011 0.000 1.930 528 A HA -0.173 4.148 4.320 0.002 0.000 0.217 528 A C 2.062 179.659 177.584 0.022 0.000 1.175 528 A CA 1.351 53.372 52.037 -0.026 0.000 0.627 528 A CB -0.834 18.133 19.000 -0.056 0.000 0.815 528 A HN 0.625 nan 8.150 nan 0.000 0.443 529 Y N 0.477 120.752 120.300 -0.042 0.000 2.163 529 Y HA -0.162 4.389 4.550 0.002 0.000 0.288 529 Y C 1.981 177.875 175.900 -0.010 0.000 1.136 529 Y CA 1.727 59.815 58.100 -0.021 0.000 1.147 529 Y CB -0.252 38.201 38.460 -0.011 0.000 0.987 529 Y HN 0.263 nan 8.280 nan 0.000 0.509 530 I N 0.157 120.744 120.570 0.028 0.000 2.179 530 I HA -0.378 3.794 4.170 0.002 0.000 0.242 530 I C 2.428 178.488 176.117 -0.095 0.000 1.088 530 I CA 1.715 62.987 61.300 -0.048 0.000 1.357 530 I CB -0.556 37.465 38.000 0.034 0.000 1.051 530 I HN 0.331 nan 8.210 nan 0.000 0.409 531 Q N 0.914 120.673 119.800 -0.069 0.000 2.112 531 Q HA -0.268 4.073 4.340 0.002 0.000 0.206 531 Q C 2.125 178.068 176.000 -0.095 0.000 0.987 531 Q CA 2.105 57.865 55.803 -0.072 0.000 0.858 531 Q CB -0.185 28.512 28.738 -0.068 0.000 0.905 531 Q HN 0.592 nan 8.270 nan 0.000 0.420 532 K N -0.997 119.323 120.400 -0.132 0.000 2.361 532 K HA 0.125 4.446 4.320 0.002 0.000 0.196 532 K C 1.451 177.941 176.600 -0.183 0.000 1.039 532 K CA 1.065 57.269 56.287 -0.138 0.000 1.001 532 K CB 0.373 32.800 32.500 -0.123 0.000 0.795 532 K HN -0.119 nan 8.250 nan 0.000 0.495 533 S N 0.583 116.117 115.700 -0.277 0.000 2.511 533 S HA 0.048 4.520 4.470 0.002 0.000 0.214 533 S C 0.465 174.990 174.600 -0.126 0.000 0.997 533 S CA -0.433 57.604 58.200 -0.272 0.000 0.908 533 S CB 0.487 63.358 63.200 -0.547 0.000 0.803 533 S HN 0.349 nan 8.310 nan 0.000 0.504 534 S N 3.663 119.304 115.700 -0.098 0.000 2.562 534 S HA 0.230 4.701 4.470 0.002 0.000 0.281 534 S C -2.343 172.240 174.600 -0.030 0.000 1.333 534 S CA -1.146 57.028 58.200 -0.043 0.000 1.052 534 S CB 0.181 63.360 63.200 -0.035 0.000 0.884 534 S HN 0.166 nan 8.310 nan 0.000 0.506 535 P HA 0.245 nan 4.420 nan 0.000 0.279 535 P C -0.921 176.398 177.300 0.032 0.000 1.239 535 P CA -0.396 62.709 63.100 0.010 0.000 0.789 535 P CB 0.423 32.131 31.700 0.013 0.000 0.933 536 L N 2.410 123.669 121.223 0.059 0.000 2.349 536 L HA 0.259 4.600 4.340 0.002 0.000 0.275 536 L C 0.773 177.725 176.870 0.137 0.000 1.115 536 L CA -0.194 54.727 54.840 0.134 0.000 0.820 536 L CB 0.344 42.499 42.059 0.159 0.000 1.135 536 L HN 0.373 nan 8.230 nan 0.000 0.445 537 D N 1.832 122.326 120.400 0.156 0.000 2.392 537 D HA 0.176 4.817 4.640 0.002 0.000 0.228 537 D C 0.826 177.221 176.300 0.159 0.000 1.074 537 D CA -0.615 53.448 54.000 0.105 0.000 0.838 537 D CB 1.887 42.712 40.800 0.042 0.000 1.067 537 D HN 0.297 nan 8.370 nan 0.000 0.511 538 V N 2.373 122.395 119.914 0.181 0.000 2.720 538 V HA -0.188 3.933 4.120 0.002 0.000 0.256 538 V C 2.004 178.190 176.094 0.154 0.000 1.082 538 V CA 1.884 64.332 62.300 0.245 0.000 1.101 538 V CB -1.274 30.654 31.823 0.175 0.000 0.693 538 V HN 0.548 nan 8.190 nan 0.000 0.479 539 S N 0.777 116.517 115.700 0.068 0.000 2.400 539 S HA -0.177 4.294 4.470 0.002 0.000 0.232 539 S C 1.835 176.414 174.600 -0.036 0.000 1.025 539 S CA 1.690 59.905 58.200 0.025 0.000 0.993 539 S CB -1.009 62.197 63.200 0.010 0.000 0.808 539 S HN 0.512 nan 8.310 nan 0.000 0.478 540 V N 0.079 119.908 119.914 -0.143 0.000 2.594 540 V HA -0.086 4.035 4.120 0.002 0.000 0.253 540 V C 1.507 177.329 176.094 -0.453 0.000 1.069 540 V CA 1.392 63.486 62.300 -0.344 0.000 1.082 540 V CB -1.090 30.403 31.823 -0.549 0.000 0.680 540 V HN 0.620 nan 8.190 nan 0.000 0.469 541 Y N -0.507 119.839 120.300 0.077 0.000 2.555 541 Y HA 0.330 4.882 4.550 0.002 0.000 0.259 541 Y C 1.068 177.016 175.900 0.079 0.000 1.179 541 Y CA -0.895 57.255 58.100 0.083 0.000 1.230 541 Y CB -0.010 38.506 38.460 0.093 0.000 1.146 541 Y HN 0.270 nan 8.280 nan 0.000 0.526 542 E N 3.016 123.298 120.200 0.137 0.000 2.257 542 E HA 0.165 4.517 4.350 0.002 0.000 0.278 542 E C -2.544 174.116 176.600 0.101 0.000 1.049 542 E CA -2.045 54.426 56.400 0.117 0.000 0.876 542 E CB 0.754 30.502 29.700 0.080 0.000 1.035 542 E HN 0.055 nan 8.360 nan 0.000 0.419 543 P HA 0.084 nan 4.420 nan 0.000 0.275 543 P C -1.279 176.068 177.300 0.079 0.000 1.227 543 P CA -0.086 63.078 63.100 0.107 0.000 0.781 543 P CB 0.467 32.252 31.700 0.141 0.000 0.906 544 K N 1.722 122.154 120.400 0.054 0.000 3.146 544 K HA 0.460 4.782 4.320 0.002 0.000 0.168 544 K C 0.517 177.129 176.600 0.019 0.000 1.075 544 K CA -0.617 55.693 56.287 0.039 0.000 0.843 544 K CB -0.261 32.256 32.500 0.028 0.000 1.002 544 K HN 0.613 nan 8.250 nan 0.000 0.597 545 G N 1.704 110.521 108.800 0.028 0.000 2.168 545 G HA2 -0.346 3.616 3.960 0.002 0.000 0.257 545 G HA3 -0.346 3.616 3.960 0.002 0.000 0.257 545 G C 0.555 175.407 174.900 -0.079 0.000 0.997 545 G CA 0.897 45.995 45.100 -0.003 0.000 0.708 545 G HN 0.560 nan 8.290 nan 0.000 0.520 546 E N -0.738 119.405 120.200 -0.096 0.000 2.130 546 E HA 0.070 4.421 4.350 0.002 0.000 0.196 546 E C 1.731 178.100 176.600 -0.386 0.000 0.998 546 E CA 1.540 57.830 56.400 -0.182 0.000 0.806 546 E CB -0.058 29.555 29.700 -0.145 0.000 0.738 546 E HN 1.258 nan 8.360 nan 0.000 0.459 547 V N -1.784 117.844 119.914 -0.477 0.000 2.628 547 V HA 0.792 4.913 4.120 0.002 0.000 0.306 547 V C -0.301 175.454 176.094 -0.564 0.000 1.045 547 V CA -0.609 61.112 62.300 -0.965 0.000 0.905 547 V CB 2.064 33.075 31.823 -1.353 0.000 0.997 547 V HN 0.084 nan 8.190 nan 0.000 0.436 548 S N 2.727 118.050 115.700 -0.629 0.000 2.596 548 S HA 0.764 5.236 4.470 0.002 0.000 0.270 548 S C -1.622 172.830 174.600 -0.246 0.000 1.155 548 S CA -0.742 57.347 58.200 -0.186 0.000 0.827 548 S CB 2.060 65.240 63.200 -0.034 0.000 1.130 548 S HN 0.939 nan 8.310 nan 0.000 0.467 549 W N 1.045 122.443 121.300 0.163 0.000 2.739 549 W HA 0.467 5.128 4.660 0.002 0.000 0.331 549 W C -0.271 176.310 176.519 0.103 0.000 1.049 549 W CA -0.532 56.907 57.345 0.157 0.000 1.234 549 W CB 2.257 31.824 29.460 0.178 0.000 1.404 549 W HN 0.755 nan 8.180 nan 0.000 0.477 550 Q N 0.000 119.954 119.800 0.257 0.000 2.315 550 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 550 Q CA 0.000 55.902 55.803 0.165 0.000 1.022 550 Q CB 0.000 28.796 28.738 0.097 0.000 1.108 550 Q HN 0.000 nan 8.270 nan 0.000 0.481