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 2zyr_1_A DATA FIRST_RESID 21 DATA SEQUENCE DFRPVVFVHG LAGSAGQFES QGMRFAANGY PAEYVKTFEY DTISWALVVE DATA SEQUENCE TDMLFSGLGS EFGLNISQII DPETLDKILS KSRERLIDET FSRLDRVIDE DATA SEQUENCE ALAESGADKV DLVGHSMGTF FLVRYVNSSP ERAAKVAHLI LLDGVWGVDA DATA SEQUENCE PEGIPTLAVF GNPKALPALG LPEEKVVYNA TNVYFNNMTH VQLCTSPETF DATA SEQUENCE AVMFEFINGY KPATTDIVPQ DGDYVKVKGK FLAFATNGDV SGWLSIYPID DATA SEQUENCE ENGKRLTRLP VKFMRVKGDF EVRLRKGQLY EFQFRKDFSP IIYHYYRAPF DATA SEQUENCE VRDDLWARFL VSKPPLDVEL LILPERLSPA AKETSGLLLI RYKEMIGEYD DATA SEQUENCE EEIGGVDEVY VNGVNVCTER ICPIERAVNG LWVFDRGADG KSDLDREVVR DATA SEQUENCE YSIMPFMSAA DLVVPAEGTI SIAVKSRTGG EESFTIPAWS ADRHSIIVQF DATA SEQUENCE SDYIVDKLAA ALEH 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 21 D HA 0.000 nan 4.640 nan 0.000 0.175 21 D C 0.000 176.158 176.300 -0.236 0.000 2.045 21 D CA 0.000 53.853 54.000 -0.245 0.000 0.868 21 D CB 0.000 40.759 40.800 -0.069 0.000 0.688 22 F N 1.469 121.366 119.950 -0.088 0.000 2.410 22 F HA 0.423 4.950 4.527 -0.000 0.000 0.334 22 F C 1.557 177.331 175.800 -0.043 0.000 1.134 22 F CA -0.376 57.482 58.000 -0.237 0.000 1.227 22 F CB 0.647 39.166 39.000 -0.802 0.000 1.194 22 F HN 0.170 nan 8.300 nan 0.000 0.571 23 R N 1.536 122.124 120.500 0.146 0.000 2.720 23 R HA 0.669 5.009 4.340 -0.000 0.000 0.272 23 R C -3.060 173.293 176.300 0.089 0.000 0.991 23 R CA -2.035 54.104 56.100 0.066 0.000 1.010 23 R CB 0.626 30.951 30.300 0.041 0.000 1.141 23 R HN 0.238 nan 8.270 nan 0.000 0.494 24 P HA -0.035 nan 4.420 nan 0.000 0.269 24 P C -0.986 176.333 177.300 0.032 0.000 1.215 24 P CA -0.470 62.626 63.100 -0.008 0.000 0.780 24 P CB 0.837 32.450 31.700 -0.144 0.000 0.898 25 V N 3.389 123.315 119.914 0.021 0.000 2.604 25 V HA 0.519 4.639 4.120 -0.000 0.000 0.305 25 V C -1.107 174.954 176.094 -0.054 0.000 1.043 25 V CA -0.756 61.506 62.300 -0.063 0.000 0.888 25 V CB 2.057 33.731 31.823 -0.249 0.000 0.995 25 V HN 0.156 nan 8.190 nan 0.000 0.429 26 V N 7.427 127.287 119.914 -0.090 0.000 2.444 26 V HA 0.471 4.591 4.120 -0.000 0.000 0.294 26 V C -0.605 175.372 176.094 -0.195 0.000 1.022 26 V CA -0.539 61.699 62.300 -0.104 0.000 0.850 26 V CB 1.413 33.166 31.823 -0.115 0.000 0.992 26 V HN 0.811 nan 8.190 nan 0.000 0.426 27 F N 5.855 125.546 119.950 -0.432 0.000 2.420 27 F HA 0.738 5.265 4.527 -0.000 0.000 0.342 27 F C -0.322 175.261 175.800 -0.362 0.000 1.113 27 F CA -0.651 56.970 58.000 -0.632 0.000 1.059 27 F CB 1.579 39.862 39.000 -1.195 0.000 1.128 27 F HN 0.257 nan 8.300 nan 0.000 0.475 28 V N 7.143 126.341 119.914 -1.194 0.000 2.350 28 V HA 0.212 4.332 4.120 -0.000 0.000 0.285 28 V C 0.300 175.600 176.094 -1.324 0.000 1.014 28 V CA -0.771 60.896 62.300 -1.055 0.000 0.831 28 V CB 0.627 31.913 31.823 -0.896 0.000 1.000 28 V HN 0.871 nan 8.190 nan 0.000 0.433 29 H N 3.041 121.563 119.070 -0.913 0.000 2.639 29 H HA 0.563 5.118 4.556 -0.000 0.000 0.373 29 H C 0.434 175.650 175.328 -0.187 0.000 1.372 29 H CA 0.027 55.771 56.048 -0.506 0.000 1.448 29 H CB 1.291 30.938 29.762 -0.192 0.000 1.544 29 H HN 0.610 nan 8.280 nan 0.000 0.615 30 G N -0.015 108.875 108.800 0.151 0.000 2.583 30 G HA2 0.288 4.248 3.960 -0.000 0.000 0.280 30 G HA3 0.288 4.248 3.960 -0.000 0.000 0.280 30 G C -0.257 174.770 174.900 0.213 0.000 1.376 30 G CA -0.948 44.243 45.100 0.151 0.000 1.043 30 G HN 0.600 nan 8.290 nan 0.000 0.538 31 L N 0.511 121.876 121.223 0.237 0.000 2.499 31 L HA 0.347 4.687 4.340 -0.000 0.000 0.273 31 L C 1.361 178.303 176.870 0.120 0.000 1.195 31 L CA 1.419 56.384 54.840 0.209 0.000 0.882 31 L CB 0.067 42.327 42.059 0.335 0.000 1.133 31 L HN 1.607 nan 8.230 nan 0.000 0.483 32 A N 3.249 126.030 122.820 -0.063 0.000 2.847 32 A HA -0.156 4.164 4.320 -0.000 0.000 0.263 32 A C 0.775 178.248 177.584 -0.185 0.000 1.391 32 A CA 1.070 52.956 52.037 -0.253 0.000 0.866 32 A CB -2.306 16.687 19.000 -0.011 0.000 1.057 32 A HN 1.210 nan 8.150 nan 0.000 0.673 33 G N -2.024 106.632 108.800 -0.239 0.000 2.705 33 G HA2 0.971 4.931 3.960 -0.000 0.000 0.299 33 G HA3 0.971 4.931 3.960 -0.000 0.000 0.299 33 G C -0.045 174.406 174.900 -0.748 0.000 1.315 33 G CA 0.495 45.414 45.100 -0.302 0.000 1.045 33 G HN 2.124 nan 8.290 nan 0.000 0.517 34 S N -3.183 112.163 115.700 -0.590 0.000 2.694 34 S HA 0.541 5.011 4.470 -0.000 0.000 0.273 34 S C 1.143 175.694 174.600 -0.082 0.000 1.180 34 S CA 0.582 58.431 58.200 -0.585 0.000 0.864 34 S CB 0.763 63.766 63.200 -0.328 0.000 1.198 34 S HN 1.751 nan 8.310 nan 0.000 0.499 35 A N 0.531 123.374 122.820 0.038 0.000 2.131 35 A HA 0.189 4.509 4.320 -0.000 0.000 0.220 35 A C 2.090 179.721 177.584 0.078 0.000 1.158 35 A CA 2.072 54.223 52.037 0.190 0.000 0.665 35 A CB -1.774 17.347 19.000 0.202 0.000 0.795 35 A HN 1.555 nan 8.150 nan 0.000 0.460 36 G N -0.922 107.838 108.800 -0.067 0.000 2.450 36 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.220 36 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.220 36 G C 1.379 176.084 174.900 -0.324 0.000 1.130 36 G CA 1.118 46.134 45.100 -0.139 0.000 0.760 36 G HN 0.577 nan 8.290 nan 0.000 0.557 37 Q N -1.240 118.322 119.800 -0.396 0.000 2.515 37 Q HA 0.207 4.547 4.340 -0.000 0.000 0.212 37 Q C 1.017 176.762 176.000 -0.426 0.000 0.970 37 Q CA 0.292 55.842 55.803 -0.422 0.000 0.941 37 Q CB -0.060 28.517 28.738 -0.269 0.000 0.998 37 Q HN 0.508 nan 8.270 nan 0.000 0.518 38 F N -0.767 118.787 119.950 -0.660 0.000 2.688 38 F HA 0.255 4.781 4.527 -0.000 0.000 0.310 38 F C 1.509 176.980 175.800 -0.548 0.000 1.098 38 F CA -0.439 57.076 58.000 -0.807 0.000 1.228 38 F CB 0.538 38.869 39.000 -1.115 0.000 1.042 38 F HN 0.043 nan 8.300 nan 0.000 0.557 39 E N -0.285 119.779 120.200 -0.226 0.000 2.031 39 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 39 E C 2.033 178.498 176.600 -0.225 0.000 0.994 39 E CA 1.827 58.186 56.400 -0.069 0.000 0.800 39 E CB 0.031 29.792 29.700 0.102 0.000 0.752 39 E HN 0.242 nan 8.360 nan 0.000 0.447 40 S N 0.560 116.109 115.700 -0.252 0.000 2.368 40 S HA -0.169 4.301 4.470 -0.000 0.000 0.225 40 S C 1.896 176.167 174.600 -0.548 0.000 1.030 40 S CA 1.134 59.153 58.200 -0.301 0.000 0.999 40 S CB -0.204 62.849 63.200 -0.245 0.000 0.844 40 S HN 0.305 nan 8.310 nan 0.000 0.459 41 Q N 0.568 119.906 119.800 -0.770 0.000 2.124 41 Q HA -0.039 4.301 4.340 -0.000 0.000 0.202 41 Q C 2.443 177.888 176.000 -0.926 0.000 0.977 41 Q CA 1.519 56.708 55.803 -1.023 0.000 0.850 41 Q CB -1.093 26.727 28.738 -1.531 0.000 0.901 41 Q HN 0.610 nan 8.270 nan 0.000 0.429 42 G N 0.671 108.848 108.800 -1.038 0.000 2.422 42 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 42 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 42 G C 1.514 176.010 174.900 -0.672 0.000 1.146 42 G CA 0.676 45.086 45.100 -1.151 0.000 0.769 42 G HN 0.225 nan 8.290 nan 0.000 0.547 43 M N -0.237 119.090 119.600 -0.455 0.000 2.229 43 M HA 0.033 4.513 4.480 -0.000 0.000 0.264 43 M C 2.760 178.877 176.300 -0.305 0.000 1.063 43 M CA 0.938 56.167 55.300 -0.119 0.000 1.114 43 M CB -0.147 32.450 32.600 -0.005 0.000 1.387 43 M HN 0.146 nan 8.290 nan 0.000 0.420 44 R N -0.466 119.647 120.500 -0.644 0.000 2.075 44 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 44 R C 2.026 177.810 176.300 -0.860 0.000 1.126 44 R CA 1.328 56.811 56.100 -1.028 0.000 0.963 44 R CB -0.426 28.646 30.300 -2.047 0.000 0.858 44 R HN 0.282 nan 8.270 nan 0.000 0.435 45 F N 0.937 120.543 119.950 -0.573 0.000 2.095 45 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 45 F C 2.675 178.387 175.800 -0.146 0.000 1.104 45 F CA 1.328 59.125 58.000 -0.339 0.000 1.232 45 F CB -0.312 38.304 39.000 -0.641 0.000 0.987 45 F HN 0.096 nan 8.300 nan 0.000 0.475 46 A N -0.135 122.747 122.820 0.104 0.000 1.933 46 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 46 A C 2.299 179.949 177.584 0.110 0.000 1.175 46 A CA 1.502 53.647 52.037 0.180 0.000 0.628 46 A CB -1.232 17.902 19.000 0.223 0.000 0.814 46 A HN 0.319 nan 8.150 nan 0.000 0.444 47 A N -0.092 122.726 122.820 -0.003 0.000 2.070 47 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 47 A C 1.487 179.084 177.584 0.021 0.000 1.159 47 A CA 1.635 53.658 52.037 -0.022 0.000 0.656 47 A CB -0.591 18.332 19.000 -0.128 0.000 0.800 47 A HN 0.621 nan 8.150 nan 0.000 0.453 48 N N -1.421 117.314 118.700 0.058 0.000 2.276 48 N HA 0.368 5.108 4.740 -0.000 0.000 0.212 48 N C 0.832 176.555 175.510 0.355 0.000 1.127 48 N CA 0.812 53.953 53.050 0.152 0.000 0.834 48 N CB 0.677 39.196 38.487 0.053 0.000 1.014 48 N HN 0.516 nan 8.380 nan 0.000 0.491 49 G N -0.757 108.238 108.800 0.325 0.000 2.218 49 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 49 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 49 G C -0.427 174.735 174.900 0.437 0.000 0.994 49 G CA -0.587 44.779 45.100 0.443 0.000 0.637 49 G HN 0.232 nan 8.290 nan 0.000 0.505 50 Y N 1.947 122.264 120.300 0.029 0.000 2.425 50 Y HA 0.454 5.004 4.550 -0.000 0.000 0.331 50 Y C -1.699 174.202 175.900 0.001 0.000 1.157 50 Y CA -1.855 56.228 58.100 -0.028 0.000 1.372 50 Y CB 0.563 38.994 38.460 -0.048 0.000 1.253 50 Y HN -0.007 nan 8.280 nan 0.000 0.536 51 P HA 0.034 nan 4.420 nan 0.000 0.268 51 P C -0.058 177.313 177.300 0.118 0.000 1.204 51 P CA 0.338 63.363 63.100 -0.125 0.000 0.768 51 P CB 1.013 32.369 31.700 -0.574 0.000 0.842 52 A N 4.110 127.048 122.820 0.195 0.000 1.978 52 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 52 A C 1.799 179.627 177.584 0.406 0.000 1.170 52 A CA 1.425 53.680 52.037 0.363 0.000 0.636 52 A CB -0.801 18.349 19.000 0.250 0.000 0.810 52 A HN 0.498 nan 8.150 nan 0.000 0.448 53 E N -0.883 119.476 120.200 0.266 0.000 2.338 53 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 53 E C 1.135 178.007 176.600 0.452 0.000 1.007 53 E CA 0.707 57.281 56.400 0.290 0.000 0.849 53 E CB -0.314 29.518 29.700 0.220 0.000 0.774 53 E HN 0.780 nan 8.360 nan 0.000 0.506 54 Y N 0.063 120.501 120.300 0.229 0.000 2.616 54 Y HA -0.018 4.532 4.550 -0.000 0.000 0.296 54 Y C 0.868 176.891 175.900 0.206 0.000 1.154 54 Y CA -0.210 58.011 58.100 0.203 0.000 1.325 54 Y CB 0.107 38.697 38.460 0.217 0.000 1.007 54 Y HN -0.276 nan 8.280 nan 0.000 0.542 55 V N 2.784 122.957 119.914 0.433 0.000 2.318 55 V HA 0.219 4.339 4.120 -0.000 0.000 0.271 55 V C 0.031 176.373 176.094 0.414 0.000 1.030 55 V CA -0.941 61.533 62.300 0.289 0.000 0.844 55 V CB 0.714 32.619 31.823 0.137 0.000 1.015 55 V HN -0.094 nan 8.190 nan 0.000 0.460 56 K N 2.915 123.462 120.400 0.245 0.000 2.166 56 K HA 0.731 5.051 4.320 -0.000 0.000 0.245 56 K C 0.052 176.775 176.600 0.205 0.000 0.967 56 K CA -0.483 55.950 56.287 0.244 0.000 0.863 56 K CB 2.181 34.764 32.500 0.138 0.000 1.107 56 K HN 0.734 nan 8.250 nan 0.000 0.436 57 T N -1.743 112.953 114.554 0.237 0.000 2.861 57 T HA 0.561 4.911 4.350 -0.000 0.000 0.287 57 T C -0.791 173.998 174.700 0.149 0.000 1.003 57 T CA -0.761 61.466 62.100 0.212 0.000 0.977 57 T CB 0.737 69.793 68.868 0.313 0.000 0.996 57 T HN 0.373 nan 8.240 nan 0.000 0.448 58 F N 1.871 121.766 119.950 -0.093 0.000 2.411 58 F HA 0.592 5.119 4.527 -0.000 0.000 0.352 58 F C -0.106 175.640 175.800 -0.089 0.000 1.123 58 F CA -0.734 57.185 58.000 -0.136 0.000 1.044 58 F CB 1.113 39.932 39.000 -0.301 0.000 1.135 58 F HN 0.709 nan 8.300 nan 0.000 0.461 59 E N 5.523 125.385 120.200 -0.563 0.000 2.221 59 E HA 0.470 4.820 4.350 -0.000 0.000 0.268 59 E C -1.613 174.776 176.600 -0.352 0.000 0.933 59 E CA -0.836 55.447 56.400 -0.196 0.000 0.809 59 E CB 2.419 32.070 29.700 -0.082 0.000 1.190 59 E HN 0.647 nan 8.360 nan 0.000 0.406 60 Y N -1.756 118.443 120.300 -0.168 0.000 2.656 60 Y HA 0.319 4.869 4.550 -0.000 0.000 0.334 60 Y C -1.142 174.787 175.900 0.049 0.000 1.179 60 Y CA -1.522 56.492 58.100 -0.144 0.000 1.050 60 Y CB 0.762 39.138 38.460 -0.141 0.000 1.308 60 Y HN 0.271 nan 8.280 nan 0.000 0.456 61 D N 1.698 122.166 120.400 0.114 0.000 2.342 61 D HA 0.074 4.714 4.640 -0.000 0.000 0.260 61 D C 1.165 177.544 176.300 0.131 0.000 1.278 61 D CA 0.846 54.886 54.000 0.066 0.000 0.910 61 D CB 1.473 42.359 40.800 0.142 0.000 1.079 61 D HN 0.814 nan 8.370 nan 0.000 0.496 62 T N 1.634 116.148 114.554 -0.066 0.000 3.023 62 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 62 T C 1.951 176.768 174.700 0.195 0.000 1.093 62 T CA 0.155 62.297 62.100 0.070 0.000 1.129 62 T CB 0.082 68.914 68.868 -0.061 0.000 0.899 62 T HN 0.344 nan 8.240 nan 0.000 0.491 63 I N 1.868 122.503 120.570 0.108 0.000 2.233 63 I HA -0.026 4.144 4.170 -0.000 0.000 0.243 63 I C 2.789 178.988 176.117 0.137 0.000 1.093 63 I CA 0.834 62.196 61.300 0.103 0.000 1.380 63 I CB -1.505 36.528 38.000 0.055 0.000 1.067 63 I HN 0.278 nan 8.210 nan 0.000 0.413 64 S N 0.150 115.944 115.700 0.156 0.000 2.368 64 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 64 S C 1.750 176.453 174.600 0.172 0.000 1.030 64 S CA 1.008 59.293 58.200 0.142 0.000 0.999 64 S CB -0.331 62.962 63.200 0.155 0.000 0.844 64 S HN 0.516 nan 8.310 nan 0.000 0.459 65 W N 2.186 123.592 121.300 0.176 0.000 2.355 65 W HA -0.159 4.501 4.660 -0.000 0.000 0.309 65 W C 2.504 179.114 176.519 0.152 0.000 1.206 65 W CA 1.463 58.938 57.345 0.216 0.000 1.284 65 W CB -0.654 29.079 29.460 0.455 0.000 1.145 65 W HN 0.345 nan 8.180 nan 0.000 0.502 66 A N 0.584 123.588 122.820 0.308 0.000 1.902 66 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 66 A C 2.180 179.776 177.584 0.019 0.000 1.181 66 A CA 1.829 53.965 52.037 0.166 0.000 0.623 66 A CB -1.092 18.021 19.000 0.188 0.000 0.818 66 A HN 0.353 nan 8.150 nan 0.000 0.443 67 L N -1.045 120.189 121.223 0.019 0.000 2.209 67 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 67 L C 2.297 179.124 176.870 -0.071 0.000 1.094 67 L CA 0.534 55.364 54.840 -0.018 0.000 0.790 67 L CB -0.258 41.806 42.059 0.008 0.000 0.932 67 L HN 0.232 nan 8.230 nan 0.000 0.447 68 V N -1.251 118.593 119.914 -0.116 0.000 2.500 68 V HA -0.079 4.041 4.120 -0.000 0.000 0.243 68 V C 2.050 177.978 176.094 -0.276 0.000 1.039 68 V CA 0.853 63.051 62.300 -0.171 0.000 1.053 68 V CB 0.755 32.481 31.823 -0.162 0.000 0.695 68 V HN 0.122 nan 8.190 nan 0.000 0.463 69 V N -0.901 118.745 119.914 -0.447 0.000 2.490 69 V HA 0.062 4.182 4.120 -0.000 0.000 0.238 69 V C 2.104 177.996 176.094 -0.337 0.000 1.056 69 V CA 0.839 62.788 62.300 -0.584 0.000 1.075 69 V CB -0.369 30.634 31.823 -1.365 0.000 0.746 69 V HN 0.402 nan 8.190 nan 0.000 0.479 70 E N 1.123 121.164 120.200 -0.266 0.000 2.516 70 E HA -0.067 4.283 4.350 -0.000 0.000 0.199 70 E C 1.853 178.413 176.600 -0.067 0.000 1.069 70 E CA 1.096 57.448 56.400 -0.080 0.000 0.876 70 E CB -0.310 29.376 29.700 -0.024 0.000 0.843 70 E HN 0.793 nan 8.360 nan 0.000 0.530 71 T N -0.942 113.558 114.554 -0.090 0.000 3.144 71 T HA -0.014 4.336 4.350 -0.000 0.000 0.249 71 T C 0.536 175.198 174.700 -0.063 0.000 1.089 71 T CA -0.349 61.711 62.100 -0.067 0.000 0.989 71 T CB -0.062 68.766 68.868 -0.065 0.000 0.992 71 T HN 0.032 nan 8.240 nan 0.000 0.540 72 D N 0.968 121.328 120.400 -0.067 0.000 2.398 72 D HA 0.119 4.759 4.640 -0.000 0.000 0.264 72 D C 1.024 177.295 176.300 -0.047 0.000 1.263 72 D CA -0.886 53.075 54.000 -0.066 0.000 1.037 72 D CB 0.428 41.177 40.800 -0.085 0.000 1.101 72 D HN -0.101 nan 8.370 nan 0.000 0.551 73 M N -0.412 119.149 119.600 -0.064 0.000 2.371 73 M HA 0.095 4.575 4.480 -0.000 0.000 0.246 73 M C 1.466 177.697 176.300 -0.114 0.000 1.103 73 M CA -0.258 55.004 55.300 -0.065 0.000 1.010 73 M CB -0.444 32.121 32.600 -0.059 0.000 1.457 73 M HN 0.391 nan 8.290 nan 0.000 0.486 74 L N 0.534 121.646 121.223 -0.184 0.000 2.051 74 L HA -0.125 4.214 4.340 -0.000 0.000 0.214 74 L C 0.761 177.265 176.870 -0.610 0.000 1.076 74 L CA 2.256 56.837 54.840 -0.430 0.000 0.758 74 L CB -0.451 41.267 42.059 -0.567 0.000 0.890 74 L HN 0.241 nan 8.230 nan 0.000 0.433 75 F N -1.256 118.710 119.950 0.026 0.000 2.850 75 F HA 0.318 4.845 4.527 -0.000 0.000 0.329 75 F C 1.251 177.030 175.800 -0.035 0.000 1.182 75 F CA -0.022 57.993 58.000 0.025 0.000 1.270 75 F CB -0.346 38.758 39.000 0.173 0.000 0.979 75 F HN -0.119 nan 8.300 nan 0.000 0.506 76 S N 0.542 116.268 115.700 0.042 0.000 3.533 76 S HA -0.206 4.264 4.470 -0.000 0.000 0.347 76 S C 1.618 176.225 174.600 0.011 0.000 1.101 76 S CA 0.787 58.996 58.200 0.015 0.000 1.009 76 S CB -1.639 61.569 63.200 0.013 0.000 0.916 76 S HN 1.201 nan 8.310 nan 0.000 0.496 77 G N -0.588 108.222 108.800 0.017 0.000 2.189 77 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.267 77 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.267 77 G C 0.681 175.525 174.900 -0.092 0.000 0.975 77 G CA 0.703 45.786 45.100 -0.029 0.000 0.644 77 G HN 0.903 nan 8.290 nan 0.000 0.537 78 L N 1.379 122.548 121.223 -0.090 0.000 2.043 78 L HA 0.150 4.490 4.340 -0.000 0.000 0.212 78 L C 2.688 179.254 176.870 -0.506 0.000 1.075 78 L CA 3.278 58.001 54.840 -0.196 0.000 0.752 78 L CB -0.851 41.150 42.059 -0.097 0.000 0.891 78 L HN 0.406 nan 8.230 nan 0.000 0.432 79 G N -2.041 106.201 108.800 -0.930 0.000 2.625 79 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.214 79 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.214 79 G C 1.444 176.093 174.900 -0.418 0.000 1.132 79 G CA 0.849 45.182 45.100 -1.279 0.000 0.782 79 G HN 0.593 nan 8.290 nan 0.000 0.538 80 S N -0.279 115.275 115.700 -0.243 0.000 2.535 80 S HA 0.100 4.570 4.470 -0.000 0.000 0.214 80 S C 1.723 176.282 174.600 -0.068 0.000 0.980 80 S CA 0.855 59.001 58.200 -0.089 0.000 0.907 80 S CB 0.420 63.581 63.200 -0.066 0.000 0.790 80 S HN 0.314 nan 8.310 nan 0.000 0.510 81 E N 2.270 122.376 120.200 -0.157 0.000 2.065 81 E HA -0.217 4.133 4.350 -0.000 0.000 0.201 81 E C 1.274 177.795 176.600 -0.132 0.000 1.016 81 E CA 2.070 58.350 56.400 -0.201 0.000 0.818 81 E CB -0.942 28.542 29.700 -0.360 0.000 0.749 81 E HN 0.680 nan 8.360 nan 0.000 0.453 82 F N -0.180 119.770 119.950 0.001 0.000 2.293 82 F HA 0.032 4.559 4.527 -0.000 0.000 0.300 82 F C 2.330 178.152 175.800 0.037 0.000 1.086 82 F CA 0.580 58.581 58.000 0.003 0.000 1.375 82 F CB -0.371 38.650 39.000 0.035 0.000 1.045 82 F HN 0.237 nan 8.300 nan 0.000 0.516 83 G N 0.352 109.288 108.800 0.226 0.000 2.408 83 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 83 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 83 G C 1.662 176.623 174.900 0.102 0.000 1.150 83 G CA 0.503 45.697 45.100 0.156 0.000 0.776 83 G HN 0.268 nan 8.290 nan 0.000 0.542 84 L N 0.498 121.761 121.223 0.067 0.000 2.046 84 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 84 L C 2.750 179.653 176.870 0.054 0.000 1.077 84 L CA 0.940 55.804 54.840 0.040 0.000 0.747 84 L CB -0.448 41.616 42.059 0.008 0.000 0.896 84 L HN 0.123 nan 8.230 nan 0.000 0.432 85 N N 0.359 119.104 118.700 0.076 0.000 2.080 85 N HA -0.181 4.559 4.740 -0.000 0.000 0.189 85 N C 1.873 177.440 175.510 0.095 0.000 1.036 85 N CA 1.336 54.437 53.050 0.084 0.000 0.846 85 N CB -0.280 38.278 38.487 0.117 0.000 1.015 85 N HN 0.284 nan 8.380 nan 0.000 0.423 86 I N 1.225 121.870 120.570 0.126 0.000 2.493 86 I HA -0.212 3.958 4.170 -0.000 0.000 0.254 86 I C 1.688 177.867 176.117 0.102 0.000 1.160 86 I CA 0.841 62.220 61.300 0.133 0.000 1.445 86 I CB -0.106 37.995 38.000 0.167 0.000 1.086 86 I HN 0.139 nan 8.210 nan 0.000 0.433 87 S N -0.049 115.700 115.700 0.082 0.000 2.507 87 S HA -0.280 4.190 4.470 -0.000 0.000 0.235 87 S C 1.874 176.502 174.600 0.047 0.000 0.988 87 S CA 1.115 59.352 58.200 0.062 0.000 0.944 87 S CB -0.490 62.741 63.200 0.052 0.000 0.762 87 S HN 0.699 nan 8.310 nan 0.000 0.526 88 Q N 0.859 120.685 119.800 0.044 0.000 2.248 88 Q HA -0.120 4.220 4.340 -0.000 0.000 0.208 88 Q C 1.353 177.365 176.000 0.021 0.000 0.984 88 Q CA 1.531 57.350 55.803 0.028 0.000 0.875 88 Q CB -0.258 28.494 28.738 0.023 0.000 0.910 88 Q HN 0.548 nan 8.270 nan 0.000 0.433 89 I N 1.016 121.602 120.570 0.027 0.000 3.684 89 I HA 0.106 4.276 4.170 -0.000 0.000 0.304 89 I C 0.535 176.668 176.117 0.027 0.000 1.278 89 I CA 0.096 61.406 61.300 0.017 0.000 1.272 89 I CB -0.820 37.188 38.000 0.013 0.000 1.029 89 I HN 0.227 nan 8.210 nan 0.000 0.458 90 I N 1.429 122.020 120.570 0.034 0.000 2.474 90 I HA -0.010 4.160 4.170 -0.000 0.000 0.287 90 I C 0.685 176.818 176.117 0.027 0.000 1.048 90 I CA -0.446 60.876 61.300 0.036 0.000 1.383 90 I CB 0.573 38.597 38.000 0.039 0.000 1.412 90 I HN 0.107 nan 8.210 nan 0.000 0.531 91 D N 7.796 128.212 120.400 0.028 0.000 2.488 91 D HA -0.000 4.640 4.640 -0.000 0.000 0.238 91 D C -1.754 174.559 176.300 0.021 0.000 1.138 91 D CA -0.821 53.193 54.000 0.023 0.000 0.873 91 D CB 1.069 41.885 40.800 0.027 0.000 1.183 91 D HN 0.226 nan 8.370 nan 0.000 0.458 92 P HA -0.199 nan 4.420 nan 0.000 0.216 92 P C 0.676 177.984 177.300 0.014 0.000 1.157 92 P CA 1.423 64.531 63.100 0.014 0.000 0.880 92 P CB 0.089 31.795 31.700 0.011 0.000 0.791 93 E N -1.329 118.880 120.200 0.016 0.000 2.150 93 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 93 E C 1.813 178.424 176.600 0.018 0.000 0.985 93 E CA 1.312 57.722 56.400 0.015 0.000 0.814 93 E CB -0.562 29.147 29.700 0.016 0.000 0.752 93 E HN 0.291 nan 8.360 nan 0.000 0.466 94 T N 1.735 116.302 114.554 0.022 0.000 2.777 94 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 94 T C 1.868 176.583 174.700 0.024 0.000 1.040 94 T CA 0.675 62.791 62.100 0.026 0.000 1.141 94 T CB -0.183 68.705 68.868 0.033 0.000 0.868 94 T HN 0.051 nan 8.240 nan 0.000 0.444 95 L N 1.566 122.803 121.223 0.022 0.000 2.046 95 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 95 L C 1.873 178.751 176.870 0.014 0.000 1.077 95 L CA 1.894 56.745 54.840 0.020 0.000 0.747 95 L CB -0.748 41.322 42.059 0.018 0.000 0.896 95 L HN 0.123 nan 8.230 nan 0.000 0.432 96 D N -0.892 119.515 120.400 0.011 0.000 2.117 96 D HA -0.219 4.421 4.640 -0.000 0.000 0.197 96 D C 2.199 178.503 176.300 0.006 0.000 0.987 96 D CA 1.255 55.259 54.000 0.007 0.000 0.829 96 D CB 0.072 40.876 40.800 0.006 0.000 0.961 96 D HN 0.267 nan 8.370 nan 0.000 0.460 97 K N -0.132 120.274 120.400 0.011 0.000 2.057 97 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 97 K C 1.983 178.590 176.600 0.012 0.000 1.049 97 K CA 0.838 57.132 56.287 0.012 0.000 0.931 97 K CB -0.019 32.491 32.500 0.017 0.000 0.714 97 K HN 0.178 nan 8.250 nan 0.000 0.440 98 I N 0.776 121.356 120.570 0.016 0.000 2.226 98 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 98 I C 1.846 177.966 176.117 0.005 0.000 1.100 98 I CA 1.189 62.500 61.300 0.018 0.000 1.374 98 I CB -0.137 37.880 38.000 0.027 0.000 1.057 98 I HN 0.161 nan 8.210 nan 0.000 0.413 99 L N 0.287 121.509 121.223 -0.001 0.000 2.465 99 L HA -0.084 4.256 4.340 -0.000 0.000 0.224 99 L C 2.451 179.310 176.870 -0.019 0.000 1.145 99 L CA 0.877 55.709 54.840 -0.013 0.000 0.834 99 L CB -0.480 41.572 42.059 -0.012 0.000 0.944 99 L HN 0.338 nan 8.230 nan 0.000 0.451 100 S N -0.908 114.786 115.700 -0.011 0.000 2.562 100 S HA -0.064 4.406 4.470 -0.000 0.000 0.221 100 S C 0.917 175.507 174.600 -0.018 0.000 0.975 100 S CA -0.210 57.981 58.200 -0.014 0.000 0.918 100 S CB -0.139 63.057 63.200 -0.007 0.000 0.772 100 S HN 0.177 nan 8.310 nan 0.000 0.531 101 K N 2.966 123.355 120.400 -0.018 0.000 2.401 101 K HA 0.228 4.548 4.320 -0.000 0.000 0.278 101 K C 0.019 176.594 176.600 -0.042 0.000 1.018 101 K CA 0.031 56.305 56.287 -0.022 0.000 0.981 101 K CB 0.634 33.126 32.500 -0.013 0.000 0.933 101 K HN 0.108 nan 8.250 nan 0.000 0.477 102 S N 3.573 119.249 115.700 -0.039 0.000 2.525 102 S HA 0.026 4.496 4.470 -0.000 0.000 0.285 102 S C 1.156 175.705 174.600 -0.085 0.000 1.283 102 S CA -0.066 58.101 58.200 -0.054 0.000 1.072 102 S CB 0.260 63.435 63.200 -0.042 0.000 0.867 102 S HN 0.776 nan 8.310 nan 0.000 0.492 103 R N 3.297 123.730 120.500 -0.110 0.000 2.075 103 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 103 R C 2.045 178.236 176.300 -0.182 0.000 1.126 103 R CA 2.012 58.010 56.100 -0.169 0.000 0.963 103 R CB -0.302 29.899 30.300 -0.165 0.000 0.858 103 R HN 0.822 nan 8.270 nan 0.000 0.435 104 E N 0.146 120.269 120.200 -0.128 0.000 2.106 104 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 104 E C 2.058 178.599 176.600 -0.098 0.000 0.984 104 E CA 1.248 57.580 56.400 -0.113 0.000 0.806 104 E CB -0.006 29.649 29.700 -0.075 0.000 0.750 104 E HN 0.256 nan 8.360 nan 0.000 0.458 105 R N -0.134 120.321 120.500 -0.074 0.000 2.075 105 R HA -0.129 4.211 4.340 -0.000 0.000 0.232 105 R C 2.282 178.556 176.300 -0.043 0.000 1.126 105 R CA 1.306 57.379 56.100 -0.044 0.000 0.963 105 R CB -0.396 29.888 30.300 -0.026 0.000 0.858 105 R HN 0.293 nan 8.270 nan 0.000 0.435 106 L N 1.241 122.423 121.223 -0.069 0.000 2.042 106 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 106 L C 1.971 178.809 176.870 -0.053 0.000 1.076 106 L CA 1.677 56.495 54.840 -0.037 0.000 0.749 106 L CB -0.389 41.617 42.059 -0.088 0.000 0.893 106 L HN 0.286 nan 8.230 nan 0.000 0.432 107 I N -0.437 119.997 120.570 -0.228 0.000 2.142 107 I HA -0.291 3.879 4.170 -0.000 0.000 0.240 107 I C 2.067 177.993 176.117 -0.319 0.000 1.078 107 I CA 1.528 62.576 61.300 -0.421 0.000 1.343 107 I CB -0.587 37.111 38.000 -0.503 0.000 1.046 107 I HN 0.259 nan 8.210 nan 0.000 0.405 108 D N 0.816 121.141 120.400 -0.125 0.000 2.149 108 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 108 D C 2.088 178.434 176.300 0.077 0.000 0.990 108 D CA 1.209 55.215 54.000 0.009 0.000 0.839 108 D CB -0.284 40.526 40.800 0.016 0.000 0.948 108 D HN 0.454 nan 8.370 nan 0.000 0.460 109 E N 0.065 120.306 120.200 0.068 0.000 2.051 109 E HA -0.120 4.229 4.350 -0.000 0.000 0.192 109 E C 2.055 178.773 176.600 0.197 0.000 0.991 109 E CA 1.387 57.858 56.400 0.120 0.000 0.799 109 E CB -0.199 29.565 29.700 0.107 0.000 0.748 109 E HN 0.211 nan 8.360 nan 0.000 0.449 110 T N 1.215 115.906 114.554 0.228 0.000 2.737 110 T HA -0.103 4.246 4.350 -0.000 0.000 0.265 110 T C 1.588 176.537 174.700 0.415 0.000 1.038 110 T CA 0.911 63.234 62.100 0.372 0.000 1.144 110 T CB -0.301 68.817 68.868 0.416 0.000 0.866 110 T HN 0.039 nan 8.240 nan 0.000 0.434 111 F N 2.159 122.178 119.950 0.114 0.000 2.161 111 F HA -0.053 4.473 4.527 -0.000 0.000 0.300 111 F C 2.838 178.713 175.800 0.125 0.000 1.089 111 F CA 0.264 58.319 58.000 0.092 0.000 1.282 111 F CB -1.480 37.606 39.000 0.144 0.000 1.010 111 F HN 0.113 nan 8.300 nan 0.000 0.485 112 S N -0.512 115.374 115.700 0.311 0.000 2.399 112 S HA -0.190 4.280 4.470 -0.000 0.000 0.231 112 S C 2.138 176.847 174.600 0.182 0.000 1.022 112 S CA 1.033 59.355 58.200 0.202 0.000 0.983 112 S CB -0.287 63.004 63.200 0.151 0.000 0.803 112 S HN 0.316 nan 8.310 nan 0.000 0.480 113 R N 0.539 121.180 120.500 0.234 0.000 2.092 113 R HA -0.002 4.338 4.340 -0.000 0.000 0.231 113 R C 2.217 178.658 176.300 0.235 0.000 1.119 113 R CA 0.888 57.153 56.100 0.274 0.000 0.970 113 R CB -0.308 30.227 30.300 0.391 0.000 0.864 113 R HN 0.317 nan 8.270 nan 0.000 0.440 114 L N 1.168 122.377 121.223 -0.023 0.000 2.141 114 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 114 L C 1.133 177.906 176.870 -0.163 0.000 1.094 114 L CA 1.848 56.409 54.840 -0.466 0.000 0.763 114 L CB -0.428 40.927 42.059 -1.174 0.000 0.908 114 L HN 0.128 nan 8.230 nan 0.000 0.437 115 D N -0.212 120.203 120.400 0.025 0.000 2.104 115 D HA -0.199 4.441 4.640 -0.000 0.000 0.194 115 D C 2.267 178.596 176.300 0.048 0.000 0.994 115 D CA 1.336 55.387 54.000 0.085 0.000 0.830 115 D CB -0.131 40.735 40.800 0.109 0.000 0.959 115 D HN 0.394 nan 8.370 nan 0.000 0.452 116 R N 0.424 120.963 120.500 0.065 0.000 2.083 116 R HA -0.084 4.255 4.340 -0.000 0.000 0.237 116 R C 2.479 178.810 176.300 0.052 0.000 1.137 116 R CA 0.761 56.898 56.100 0.062 0.000 0.951 116 R CB -0.592 29.757 30.300 0.081 0.000 0.851 116 R HN 0.099 nan 8.270 nan 0.000 0.434 117 V N 1.607 121.561 119.914 0.067 0.000 2.287 117 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 117 V C 2.320 178.422 176.094 0.013 0.000 1.053 117 V CA 1.847 64.185 62.300 0.063 0.000 1.027 117 V CB -0.404 31.490 31.823 0.119 0.000 0.646 117 V HN 0.282 nan 8.190 nan 0.000 0.447 118 I N -0.033 120.525 120.570 -0.020 0.000 2.179 118 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 118 I C 2.325 178.431 176.117 -0.018 0.000 1.088 118 I CA 1.650 62.931 61.300 -0.031 0.000 1.357 118 I CB -0.547 37.434 38.000 -0.033 0.000 1.051 118 I HN 0.324 nan 8.210 nan 0.000 0.409 119 D N 0.826 121.225 120.400 -0.002 0.000 2.149 119 D HA -0.188 4.452 4.640 -0.000 0.000 0.198 119 D C 2.083 178.378 176.300 -0.008 0.000 0.990 119 D CA 1.261 55.259 54.000 -0.004 0.000 0.839 119 D CB -0.247 40.558 40.800 0.008 0.000 0.948 119 D HN 0.447 nan 8.370 nan 0.000 0.460 120 E N 0.574 120.775 120.200 0.002 0.000 2.072 120 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 120 E C 2.123 178.713 176.600 -0.017 0.000 0.985 120 E CA 0.898 57.299 56.400 0.002 0.000 0.801 120 E CB -0.032 29.678 29.700 0.017 0.000 0.750 120 E HN 0.193 nan 8.360 nan 0.000 0.452 121 A N 1.291 124.094 122.820 -0.028 0.000 1.902 121 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 121 A C 2.198 179.709 177.584 -0.122 0.000 1.181 121 A CA 0.970 52.964 52.037 -0.072 0.000 0.623 121 A CB -0.572 18.389 19.000 -0.066 0.000 0.818 121 A HN 0.115 nan 8.150 nan 0.000 0.443 122 L N -0.872 120.299 121.223 -0.087 0.000 2.056 122 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 122 L C 3.087 179.913 176.870 -0.074 0.000 1.078 122 L CA 1.054 55.840 54.840 -0.090 0.000 0.749 122 L CB -0.541 41.484 42.059 -0.057 0.000 0.901 122 L HN 0.438 nan 8.230 nan 0.000 0.433 123 A N -0.186 122.606 122.820 -0.047 0.000 1.930 123 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 123 A C 2.277 179.846 177.584 -0.025 0.000 1.175 123 A CA 1.764 53.785 52.037 -0.028 0.000 0.627 123 A CB -0.466 18.527 19.000 -0.012 0.000 0.815 123 A HN 0.499 nan 8.150 nan 0.000 0.443 124 E N 0.405 120.584 120.200 -0.035 0.000 2.106 124 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 124 E C 1.972 178.563 176.600 -0.015 0.000 0.984 124 E CA 1.621 58.015 56.400 -0.009 0.000 0.806 124 E CB -0.094 29.606 29.700 0.001 0.000 0.750 124 E HN 0.700 nan 8.360 nan 0.000 0.458 125 S N -1.399 114.213 115.700 -0.148 0.000 2.503 125 S HA 0.218 4.688 4.470 -0.000 0.000 0.217 125 S C 1.659 176.227 174.600 -0.054 0.000 0.999 125 S CA 0.478 58.555 58.200 -0.205 0.000 0.914 125 S CB 0.545 63.308 63.200 -0.729 0.000 0.782 125 S HN 0.521 nan 8.310 nan 0.000 0.520 126 G N 1.253 110.021 108.800 -0.053 0.000 2.184 126 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.264 126 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.264 126 G C 0.327 175.208 174.900 -0.033 0.000 0.975 126 G CA 0.124 45.211 45.100 -0.022 0.000 0.642 126 G HN 1.247 nan 8.290 nan 0.000 0.536 127 A N -0.304 122.476 122.820 -0.067 0.000 2.366 127 A HA 0.586 4.906 4.320 -0.000 0.000 0.249 127 A C 1.126 178.681 177.584 -0.048 0.000 1.084 127 A CA 1.064 53.067 52.037 -0.056 0.000 0.794 127 A CB 0.415 19.364 19.000 -0.085 0.000 1.034 127 A HN 0.404 nan 8.150 nan 0.000 0.491 128 D N -0.635 119.743 120.400 -0.037 0.000 2.271 128 D HA 0.104 4.744 4.640 -0.000 0.000 0.206 128 D C 0.382 176.659 176.300 -0.039 0.000 0.967 128 D CA 1.271 55.250 54.000 -0.035 0.000 0.867 128 D CB 0.097 40.878 40.800 -0.031 0.000 0.960 128 D HN 0.523 nan 8.370 nan 0.000 0.509 129 K N -0.717 119.660 120.400 -0.039 0.000 2.495 129 K HA 0.496 4.816 4.320 -0.000 0.000 0.268 129 K C -1.225 175.357 176.600 -0.030 0.000 1.008 129 K CA -1.110 55.155 56.287 -0.038 0.000 0.882 129 K CB 2.963 35.435 32.500 -0.047 0.000 1.443 129 K HN -0.126 nan 8.250 nan 0.000 0.447 130 V N -2.396 117.504 119.914 -0.023 0.000 3.113 130 V HA 0.595 4.715 4.120 -0.000 0.000 0.316 130 V C -1.067 175.040 176.094 0.022 0.000 1.125 130 V CA -0.802 61.491 62.300 -0.012 0.000 1.026 130 V CB 1.981 33.783 31.823 -0.035 0.000 1.080 130 V HN 0.591 nan 8.190 nan 0.000 0.444 131 D N 1.827 122.252 120.400 0.042 0.000 2.192 131 D HA 0.620 5.260 4.640 -0.000 0.000 0.246 131 D C -0.727 175.580 176.300 0.013 0.000 1.042 131 D CA 0.023 54.073 54.000 0.084 0.000 0.847 131 D CB 2.138 43.007 40.800 0.115 0.000 1.186 131 D HN 0.547 nan 8.370 nan 0.000 0.461 132 L N 1.595 122.823 121.223 0.009 0.000 2.322 132 L HA 0.541 4.881 4.340 -0.000 0.000 0.281 132 L C -0.484 176.350 176.870 -0.060 0.000 1.014 132 L CA -1.000 53.800 54.840 -0.066 0.000 0.815 132 L CB 2.008 44.019 42.059 -0.079 0.000 1.247 132 L HN -0.034 nan 8.230 nan 0.000 0.421 133 V N 1.557 121.398 119.914 -0.122 0.000 2.588 133 V HA 0.763 4.883 4.120 -0.000 0.000 0.304 133 V C 0.210 176.201 176.094 -0.171 0.000 1.042 133 V CA -0.486 61.772 62.300 -0.070 0.000 0.877 133 V CB 1.898 33.713 31.823 -0.012 0.000 0.996 133 V HN 0.885 nan 8.190 nan 0.000 0.425 134 G N 1.512 110.234 108.800 -0.130 0.000 2.524 134 G HA2 0.602 4.562 3.960 -0.000 0.000 0.310 134 G HA3 0.602 4.562 3.960 -0.000 0.000 0.310 134 G C -1.511 173.385 174.900 -0.006 0.000 1.279 134 G CA -0.446 44.521 45.100 -0.223 0.000 0.974 134 G HN 0.800 nan 8.290 nan 0.000 0.484 135 H N 1.631 120.619 119.070 -0.137 0.000 2.489 135 H HA 0.512 5.068 4.556 -0.000 0.000 0.343 135 H C 0.732 176.102 175.328 0.070 0.000 1.086 135 H CA 0.263 56.331 56.048 0.032 0.000 1.198 135 H CB 1.776 31.652 29.762 0.189 0.000 1.490 135 H HN 0.789 nan 8.280 nan 0.000 0.504 136 S N 3.148 118.722 115.700 -0.210 0.000 4.139 136 S HA -0.387 4.083 4.470 -0.000 0.000 0.603 136 S C 1.690 176.465 174.600 0.292 0.000 1.897 136 S CA 1.885 60.106 58.200 0.036 0.000 4.241 136 S CB -1.193 61.904 63.200 -0.170 0.000 0.221 136 S HN 0.873 nan 8.310 nan 0.000 0.488 137 M N 1.432 121.231 119.600 0.332 0.000 2.267 137 M HA -0.005 4.475 4.480 -0.000 0.000 0.263 137 M C 1.891 178.405 176.300 0.358 0.000 1.063 137 M CA 2.217 57.778 55.300 0.435 0.000 1.090 137 M CB -0.854 31.962 32.600 0.361 0.000 1.392 137 M HN 0.657 nan 8.290 nan 0.000 0.422 138 G N -0.581 108.295 108.800 0.127 0.000 2.470 138 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 138 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 138 G C 1.416 176.298 174.900 -0.031 0.000 1.121 138 G CA 1.385 46.429 45.100 -0.092 0.000 0.766 138 G HN 0.619 nan 8.290 nan 0.000 0.553 139 T N -1.459 113.095 114.554 -0.000 0.000 2.857 139 T HA -0.005 4.345 4.350 -0.000 0.000 0.266 139 T C 2.066 176.652 174.700 -0.191 0.000 1.048 139 T CA 0.821 62.838 62.100 -0.138 0.000 1.139 139 T CB -0.423 68.288 68.868 -0.263 0.000 0.874 139 T HN 0.166 nan 8.240 nan 0.000 0.455 140 F N 0.690 120.584 119.950 -0.094 0.000 2.113 140 F HA 0.141 4.668 4.527 -0.000 0.000 0.297 140 F C 2.147 178.025 175.800 0.129 0.000 1.103 140 F CA 0.881 58.752 58.000 -0.216 0.000 1.248 140 F CB -0.805 38.064 39.000 -0.219 0.000 0.999 140 F HN 0.120 nan 8.300 nan 0.000 0.475 141 F N 0.747 120.827 119.950 0.216 0.000 2.065 141 F HA -0.260 4.267 4.527 -0.000 0.000 0.298 141 F C 2.047 177.865 175.800 0.029 0.000 1.112 141 F CA 1.682 59.739 58.000 0.094 0.000 1.212 141 F CB -0.370 38.351 39.000 -0.465 0.000 0.975 141 F HN -0.146 nan 8.300 nan 0.000 0.476 142 L N -0.693 120.693 121.223 0.272 0.000 2.156 142 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 142 L C 2.308 179.219 176.870 0.068 0.000 1.095 142 L CA 0.579 55.489 54.840 0.117 0.000 0.770 142 L CB -0.649 41.406 42.059 -0.007 0.000 0.914 142 L HN 0.062 nan 8.230 nan 0.000 0.439 143 V N 0.060 120.016 119.914 0.070 0.000 2.295 143 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 143 V C 2.620 178.804 176.094 0.151 0.000 1.049 143 V CA 1.746 64.104 62.300 0.097 0.000 1.024 143 V CB -0.587 31.307 31.823 0.118 0.000 0.648 143 V HN 0.432 nan 8.190 nan 0.000 0.447 144 R N -1.063 119.595 120.500 0.263 0.000 2.083 144 R HA -0.223 4.117 4.340 -0.000 0.000 0.237 144 R C 2.338 178.663 176.300 0.042 0.000 1.137 144 R CA 2.201 58.468 56.100 0.278 0.000 0.951 144 R CB -0.696 29.911 30.300 0.511 0.000 0.851 144 R HN 0.613 nan 8.270 nan 0.000 0.434 145 Y N 1.871 121.918 120.300 -0.421 0.000 2.097 145 Y HA -0.262 4.288 4.550 -0.000 0.000 0.282 145 Y C 2.236 177.838 175.900 -0.497 0.000 1.152 145 Y CA 1.832 59.291 58.100 -1.068 0.000 1.136 145 Y CB -0.346 37.409 38.460 -1.175 0.000 0.975 145 Y HN -0.071 nan 8.280 nan 0.000 0.498 146 V N -1.431 118.308 119.914 -0.292 0.000 2.667 146 V HA -0.148 3.972 4.120 -0.000 0.000 0.252 146 V C 1.567 177.521 176.094 -0.233 0.000 1.065 146 V CA 2.099 64.223 62.300 -0.295 0.000 1.083 146 V CB -0.735 31.028 31.823 -0.101 0.000 0.692 146 V HN 0.382 nan 8.190 nan 0.000 0.468 147 N N 1.484 120.098 118.700 -0.144 0.000 2.467 147 N HA -0.005 4.735 4.740 -0.000 0.000 0.184 147 N C 1.974 177.423 175.510 -0.101 0.000 1.106 147 N CA 1.277 54.275 53.050 -0.086 0.000 0.892 147 N CB 0.122 38.599 38.487 -0.017 0.000 0.969 147 N HN 0.804 nan 8.380 nan 0.000 0.454 148 S N -0.645 114.958 115.700 -0.162 0.000 2.447 148 S HA 0.002 4.472 4.470 -0.000 0.000 0.233 148 S C 0.783 175.310 174.600 -0.121 0.000 1.006 148 S CA 0.313 58.453 58.200 -0.100 0.000 0.957 148 S CB -0.074 63.098 63.200 -0.046 0.000 0.773 148 S HN 0.247 nan 8.310 nan 0.000 0.507 149 S N -0.625 114.964 115.700 -0.185 0.000 2.565 149 S HA 0.478 4.948 4.470 -0.000 0.000 0.274 149 S C -2.932 171.577 174.600 -0.151 0.000 1.144 149 S CA -0.985 57.129 58.200 -0.143 0.000 0.849 149 S CB 1.368 64.487 63.200 -0.135 0.000 1.103 149 S HN 0.006 nan 8.310 nan 0.000 0.455 150 P HA 0.016 nan 4.420 nan 0.000 0.221 150 P C 0.776 178.014 177.300 -0.104 0.000 1.150 150 P CA 1.159 64.202 63.100 -0.095 0.000 0.800 150 P CB 0.044 31.704 31.700 -0.067 0.000 0.787 151 E N 0.047 120.183 120.200 -0.106 0.000 2.150 151 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 151 E C 2.268 178.789 176.600 -0.132 0.000 0.985 151 E CA 0.950 57.291 56.400 -0.098 0.000 0.814 151 E CB -0.496 29.157 29.700 -0.078 0.000 0.752 151 E HN 0.235 nan 8.360 nan 0.000 0.466 152 R N 0.029 120.399 120.500 -0.216 0.000 2.073 152 R HA 0.086 4.426 4.340 -0.000 0.000 0.229 152 R C 2.257 178.414 176.300 -0.238 0.000 1.120 152 R CA 1.099 57.004 56.100 -0.324 0.000 0.967 152 R CB -0.275 29.573 30.300 -0.754 0.000 0.862 152 R HN 0.156 nan 8.270 nan 0.000 0.436 153 A N 1.129 123.821 122.820 -0.215 0.000 1.972 153 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 153 A C 2.284 179.811 177.584 -0.095 0.000 1.169 153 A CA 1.589 53.541 52.037 -0.140 0.000 0.635 153 A CB -0.553 18.377 19.000 -0.118 0.000 0.810 153 A HN 0.397 nan 8.150 nan 0.000 0.446 154 A N -0.213 122.552 122.820 -0.092 0.000 2.019 154 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 154 A C 1.900 179.447 177.584 -0.062 0.000 1.164 154 A CA 1.625 53.620 52.037 -0.071 0.000 0.644 154 A CB -0.332 18.630 19.000 -0.063 0.000 0.805 154 A HN 0.538 nan 8.150 nan 0.000 0.449 155 K N -0.467 119.899 120.400 -0.057 0.000 2.458 155 K HA 0.217 4.537 4.320 -0.000 0.000 0.194 155 K C -0.706 175.873 176.600 -0.036 0.000 1.024 155 K CA -0.071 56.191 56.287 -0.040 0.000 1.108 155 K CB 0.436 32.922 32.500 -0.024 0.000 0.846 155 K HN 0.254 nan 8.250 nan 0.000 0.518 156 V N 1.045 120.933 119.914 -0.044 0.000 2.357 156 V HA 0.214 4.334 4.120 -0.000 0.000 0.284 156 V C 0.752 176.796 176.094 -0.084 0.000 1.018 156 V CA -0.384 61.894 62.300 -0.038 0.000 0.841 156 V CB 1.228 33.039 31.823 -0.020 0.000 0.991 156 V HN 0.165 nan 8.190 nan 0.000 0.437 157 A N 3.797 126.556 122.820 -0.102 0.000 1.903 157 A HA 0.139 4.458 4.320 -0.000 0.000 0.213 157 A C 0.669 177.904 177.584 -0.583 0.000 1.185 157 A CA 1.102 52.965 52.037 -0.290 0.000 0.628 157 A CB -0.103 18.790 19.000 -0.178 0.000 0.830 157 A HN 0.871 nan 8.150 nan 0.000 0.446 158 H N -2.954 116.137 119.070 0.035 0.000 2.930 158 H HA 0.617 5.173 4.556 -0.000 0.000 0.371 158 H C -1.429 173.970 175.328 0.119 0.000 1.169 158 H CA -0.662 55.461 56.048 0.124 0.000 1.157 158 H CB 1.780 31.653 29.762 0.186 0.000 1.789 158 H HN 0.229 nan 8.280 nan 0.000 0.547 159 L N 3.011 124.385 121.223 0.252 0.000 2.356 159 L HA 0.593 4.933 4.340 -0.000 0.000 0.277 159 L C -1.496 175.403 176.870 0.048 0.000 0.996 159 L CA -0.339 54.564 54.840 0.104 0.000 0.822 159 L CB 0.875 42.962 42.059 0.046 0.000 1.256 159 L HN 0.641 nan 8.230 nan 0.000 0.413 160 I N 6.265 126.829 120.570 -0.010 0.000 2.406 160 I HA 0.383 4.553 4.170 -0.000 0.000 0.290 160 I C -0.961 175.091 176.117 -0.109 0.000 0.999 160 I CA -0.569 60.672 61.300 -0.098 0.000 1.124 160 I CB 1.680 39.659 38.000 -0.035 0.000 1.289 160 I HN 0.452 nan 8.210 nan 0.000 0.441 161 L N 7.480 128.593 121.223 -0.183 0.000 2.318 161 L HA 0.515 4.854 4.340 -0.000 0.000 0.277 161 L C -0.748 175.979 176.870 -0.238 0.000 1.008 161 L CA -0.498 54.230 54.840 -0.186 0.000 0.846 161 L CB 1.253 43.182 42.059 -0.216 0.000 1.220 161 L HN 0.413 nan 8.230 nan 0.000 0.423 162 L N 3.159 124.328 121.223 -0.091 0.000 2.265 162 L HA 0.319 4.659 4.340 -0.000 0.000 0.289 162 L C 0.245 177.162 176.870 0.079 0.000 1.033 162 L CA -0.530 54.289 54.840 -0.035 0.000 0.814 162 L CB 0.948 43.078 42.059 0.118 0.000 1.203 162 L HN 0.582 nan 8.230 nan 0.000 0.423 163 D N 2.526 122.904 120.400 -0.037 0.000 2.702 163 D HA -0.174 4.466 4.640 -0.000 0.000 0.233 163 D C 0.555 177.136 176.300 0.469 0.000 1.164 163 D CA 1.290 55.465 54.000 0.292 0.000 0.638 163 D CB -0.203 40.855 40.800 0.429 0.000 1.041 163 D HN 0.866 nan 8.370 nan 0.000 0.422 164 G N -1.505 107.495 108.800 0.333 0.000 3.267 164 G HA2 0.385 4.345 3.960 -0.000 0.000 0.200 164 G HA3 0.385 4.345 3.960 -0.000 0.000 0.200 164 G C -0.086 174.967 174.900 0.254 0.000 1.603 164 G CA 0.068 45.365 45.100 0.327 0.000 0.753 164 G HN 0.444 nan 8.290 nan 0.000 0.755 165 V N 2.301 121.935 119.914 -0.467 0.000 2.901 165 V HA 0.452 4.572 4.120 -0.000 0.000 0.307 165 V C -0.304 175.765 176.094 -0.040 0.000 1.084 165 V CA 0.231 62.066 62.300 -0.773 0.000 1.184 165 V CB 0.094 31.007 31.823 -1.516 0.000 0.941 165 V HN 0.576 nan 8.190 nan 0.000 0.493 166 W N 3.741 125.018 121.300 -0.040 0.000 3.042 166 W HA 0.609 5.269 4.660 -0.000 0.000 0.342 166 W C 0.426 176.903 176.519 -0.070 0.000 1.240 166 W CA -0.764 56.551 57.345 -0.050 0.000 1.166 166 W CB 0.899 30.239 29.460 -0.199 0.000 1.469 166 W HN 1.251 nan 8.180 nan 0.000 0.579 167 G N 0.430 109.346 108.800 0.193 0.000 2.160 167 G HA2 0.004 3.964 3.960 -0.000 0.000 0.251 167 G HA3 0.004 3.964 3.960 -0.000 0.000 0.251 167 G C -0.591 174.351 174.900 0.070 0.000 1.008 167 G CA 0.514 45.701 45.100 0.144 0.000 0.724 167 G HN 1.572 nan 8.290 nan 0.000 0.514 168 V N -4.072 115.789 119.914 -0.087 0.000 3.078 168 V HA 0.850 4.970 4.120 -0.000 0.000 0.311 168 V C -0.344 175.816 176.094 0.110 0.000 1.138 168 V CA -1.558 60.809 62.300 0.111 0.000 1.007 168 V CB 2.110 34.021 31.823 0.145 0.000 1.045 168 V HN -0.003 nan 8.190 nan 0.000 0.432 169 D N 1.922 122.473 120.400 0.253 0.000 2.341 169 D HA 0.597 5.236 4.640 -0.000 0.000 0.245 169 D C 0.531 176.905 176.300 0.124 0.000 1.106 169 D CA 0.589 54.732 54.000 0.238 0.000 0.905 169 D CB 1.632 42.550 40.800 0.196 0.000 1.202 169 D HN 1.145 nan 8.370 nan 0.000 0.426 170 A N 2.729 125.614 122.820 0.107 0.000 2.498 170 A HA 0.337 4.657 4.320 -0.000 0.000 0.239 170 A C -2.075 175.547 177.584 0.062 0.000 1.068 170 A CA -0.870 51.207 52.037 0.068 0.000 0.766 170 A CB -0.352 18.691 19.000 0.072 0.000 1.003 170 A HN 0.340 nan 8.150 nan 0.000 0.497 171 P HA 0.093 nan 4.420 nan 0.000 0.264 171 P C -0.148 177.166 177.300 0.024 0.000 1.183 171 P CA 0.192 63.308 63.100 0.027 0.000 0.763 171 P CB 0.412 32.117 31.700 0.008 0.000 0.807 172 E N 2.418 122.627 120.200 0.015 0.000 2.480 172 E HA 0.232 4.582 4.350 -0.000 0.000 0.258 172 E C 1.376 177.976 176.600 -0.001 0.000 0.984 172 E CA 1.551 57.958 56.400 0.012 0.000 0.930 172 E CB -0.708 28.994 29.700 0.004 0.000 0.936 172 E HN 0.680 nan 8.360 nan 0.000 0.466 173 G N 4.066 112.868 108.800 0.005 0.000 2.168 173 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.263 173 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.263 173 G C 0.216 175.104 174.900 -0.019 0.000 0.977 173 G CA 0.383 45.478 45.100 -0.009 0.000 0.659 173 G HN 0.494 nan 8.290 nan 0.000 0.533 174 I N 1.167 121.736 120.570 -0.003 0.000 2.382 174 I HA 0.287 4.457 4.170 -0.000 0.000 0.286 174 I C -2.296 173.849 176.117 0.047 0.000 1.002 174 I CA -2.442 58.853 61.300 -0.008 0.000 1.135 174 I CB 2.147 40.145 38.000 -0.005 0.000 1.288 174 I HN -0.201 nan 8.210 nan 0.000 0.448 175 P HA 0.048 nan 4.420 nan 0.000 0.262 175 P C -0.810 176.724 177.300 0.390 0.000 1.199 175 P CA 0.416 63.636 63.100 0.200 0.000 0.763 175 P CB 0.413 32.159 31.700 0.077 0.000 0.790 176 T N 4.128 118.892 114.554 0.350 0.000 2.841 176 T HA 0.564 4.914 4.350 -0.000 0.000 0.283 176 T C -0.742 173.873 174.700 -0.141 0.000 1.000 176 T CA -0.461 61.723 62.100 0.140 0.000 0.977 176 T CB 0.979 69.876 68.868 0.048 0.000 0.979 176 T HN 0.117 nan 8.240 nan 0.000 0.446 177 L N 2.752 123.659 121.223 -0.527 0.000 2.362 177 L HA 0.897 5.237 4.340 -0.000 0.000 0.275 177 L C -0.975 175.602 176.870 -0.489 0.000 0.998 177 L CA -0.585 53.748 54.840 -0.844 0.000 0.820 177 L CB 1.196 42.341 42.059 -1.524 0.000 1.270 177 L HN 0.776 nan 8.230 nan 0.000 0.415 178 A N 4.811 127.363 122.820 -0.447 0.000 2.356 178 A HA 0.819 5.139 4.320 -0.000 0.000 0.310 178 A C -1.495 175.667 177.584 -0.703 0.000 1.075 178 A CA -0.539 51.174 52.037 -0.541 0.000 0.746 178 A CB 1.607 20.359 19.000 -0.413 0.000 1.221 178 A HN 0.551 nan 8.150 nan 0.000 0.443 179 V N 2.538 121.989 119.914 -0.772 0.000 2.487 179 V HA 0.606 4.726 4.120 -0.000 0.000 0.298 179 V C -1.123 174.564 176.094 -0.678 0.000 1.028 179 V CA -0.310 61.623 62.300 -0.611 0.000 0.860 179 V CB 0.998 32.655 31.823 -0.277 0.000 0.991 179 V HN 0.735 nan 8.190 nan 0.000 0.427 180 F N 1.894 121.708 119.950 -0.227 0.000 2.546 180 F HA 0.855 5.382 4.527 -0.000 0.000 0.320 180 F C 0.866 176.734 175.800 0.113 0.000 1.076 180 F CA -0.386 57.607 58.000 -0.012 0.000 0.928 180 F CB 2.195 41.204 39.000 0.015 0.000 1.189 180 F HN 0.620 nan 8.300 nan 0.000 0.465 181 G N 0.262 109.308 108.800 0.410 0.000 2.828 181 G HA2 0.152 4.112 3.960 -0.000 0.000 0.244 181 G HA3 0.152 4.112 3.960 -0.000 0.000 0.244 181 G C -0.907 174.171 174.900 0.297 0.000 1.365 181 G CA -0.761 44.546 45.100 0.345 0.000 1.041 181 G HN 0.503 nan 8.290 nan 0.000 0.560 182 N N 1.390 120.232 118.700 0.237 0.000 2.431 182 N HA 0.133 4.873 4.740 -0.000 0.000 0.265 182 N C -1.134 174.473 175.510 0.161 0.000 1.184 182 N CA -1.465 51.684 53.050 0.166 0.000 0.943 182 N CB 1.751 40.314 38.487 0.127 0.000 1.080 182 N HN 0.072 nan 8.380 nan 0.000 0.477 183 P HA -0.122 nan 4.420 nan 0.000 0.225 183 P C 0.544 177.892 177.300 0.080 0.000 1.148 183 P CA 1.017 64.167 63.100 0.083 0.000 0.779 183 P CB 0.426 32.123 31.700 -0.005 0.000 0.780 184 K N 0.156 120.599 120.400 0.073 0.000 2.281 184 K HA -0.040 4.280 4.320 -0.000 0.000 0.203 184 K C 2.046 178.706 176.600 0.100 0.000 1.046 184 K CA 1.205 57.532 56.287 0.067 0.000 0.938 184 K CB -0.341 32.189 32.500 0.049 0.000 0.737 184 K HN 0.101 nan 8.250 nan 0.000 0.458 185 A N 0.612 123.517 122.820 0.141 0.000 2.238 185 A HA 0.132 4.452 4.320 -0.000 0.000 0.208 185 A C 0.683 178.389 177.584 0.204 0.000 1.177 185 A CA 0.317 52.465 52.037 0.185 0.000 0.804 185 A CB 0.021 19.168 19.000 0.245 0.000 0.823 185 A HN 0.072 nan 8.150 nan 0.000 0.482 186 L N -0.980 120.342 121.223 0.165 0.000 2.303 186 L HA 0.413 4.753 4.340 -0.000 0.000 0.266 186 L C -2.541 174.382 176.870 0.087 0.000 1.011 186 L CA -2.640 52.295 54.840 0.157 0.000 0.818 186 L CB 1.373 43.504 42.059 0.120 0.000 1.326 186 L HN -0.137 nan 8.230 nan 0.000 0.435 187 P HA 0.007 nan 4.420 nan 0.000 0.261 187 P C -0.754 176.548 177.300 0.003 0.000 1.183 187 P CA 0.222 63.309 63.100 -0.022 0.000 0.761 187 P CB 0.621 32.238 31.700 -0.139 0.000 0.785 188 A N 3.870 126.698 122.820 0.014 0.000 2.911 188 A HA 0.224 4.544 4.320 -0.000 0.000 0.304 188 A C 0.900 178.490 177.584 0.011 0.000 1.144 188 A CA -0.231 51.814 52.037 0.013 0.000 0.988 188 A CB -0.693 18.315 19.000 0.012 0.000 1.141 188 A HN 0.535 nan 8.150 nan 0.000 0.552 189 L N -0.097 121.134 121.223 0.013 0.000 2.592 189 L HA 0.191 4.531 4.340 -0.000 0.000 0.227 189 L C 1.356 178.242 176.870 0.027 0.000 1.127 189 L CA 0.167 55.016 54.840 0.015 0.000 0.884 189 L CB 0.284 42.350 42.059 0.011 0.000 1.065 189 L HN 0.557 nan 8.230 nan 0.000 0.457 190 G N -0.397 108.426 108.800 0.038 0.000 2.491 190 G HA2 0.468 4.428 3.960 -0.000 0.000 0.327 190 G HA3 0.468 4.428 3.960 -0.000 0.000 0.327 190 G C -0.736 174.178 174.900 0.024 0.000 1.189 190 G CA -0.336 44.803 45.100 0.065 0.000 0.956 190 G HN -0.127 nan 8.290 nan 0.000 0.491 191 L N 2.491 123.727 121.223 0.021 0.000 2.581 191 L HA 0.352 4.692 4.340 -0.000 0.000 0.241 191 L C -1.951 174.857 176.870 -0.103 0.000 1.265 191 L CA -1.269 53.550 54.840 -0.034 0.000 0.954 191 L CB 0.686 42.739 42.059 -0.010 0.000 1.269 191 L HN 0.384 nan 8.230 nan 0.000 0.475 192 P HA 0.324 nan 4.420 nan 0.000 0.295 192 P C 0.242 177.354 177.300 -0.314 0.000 1.354 192 P CA -0.318 62.517 63.100 -0.441 0.000 0.814 192 P CB 1.430 32.531 31.700 -0.999 0.000 0.935 193 E N 1.745 121.818 120.200 -0.212 0.000 2.418 193 E HA -0.074 4.276 4.350 -0.000 0.000 0.197 193 E C 0.237 176.718 176.600 -0.199 0.000 1.026 193 E CA 0.619 56.922 56.400 -0.161 0.000 0.862 193 E CB 0.273 29.914 29.700 -0.099 0.000 0.799 193 E HN 0.676 nan 8.360 nan 0.000 0.518 194 E N -0.988 119.051 120.200 -0.270 0.000 2.401 194 E HA 0.272 4.622 4.350 -0.000 0.000 0.283 194 E C -1.386 174.978 176.600 -0.394 0.000 1.053 194 E CA -0.887 55.340 56.400 -0.289 0.000 0.842 194 E CB 0.885 30.467 29.700 -0.197 0.000 1.222 194 E HN -0.209 nan 8.360 nan 0.000 0.429 195 K N 1.600 121.725 120.400 -0.458 0.000 2.235 195 K HA 0.639 4.959 4.320 -0.000 0.000 0.266 195 K C -1.263 175.096 176.600 -0.402 0.000 0.980 195 K CA -0.861 54.994 56.287 -0.719 0.000 0.849 195 K CB 2.118 33.792 32.500 -1.377 0.000 1.098 195 K HN 0.346 nan 8.250 nan 0.000 0.445 196 V N 2.708 122.517 119.914 -0.175 0.000 2.888 196 V HA 0.277 4.397 4.120 -0.000 0.000 0.309 196 V C -0.871 175.157 176.094 -0.110 0.000 1.114 196 V CA -1.007 61.298 62.300 0.009 0.000 0.940 196 V CB 2.346 34.189 31.823 0.034 0.000 1.021 196 V HN 0.421 nan 8.190 nan 0.000 0.426 197 V N 4.432 124.358 119.914 0.019 0.000 2.347 197 V HA 0.406 4.526 4.120 -0.000 0.000 0.280 197 V C -0.750 175.292 176.094 -0.087 0.000 1.021 197 V CA -0.740 61.497 62.300 -0.105 0.000 0.847 197 V CB 1.131 32.969 31.823 0.025 0.000 0.990 197 V HN 0.727 nan 8.190 nan 0.000 0.444 198 Y N 4.180 124.558 120.300 0.130 0.000 2.620 198 Y HA 0.090 4.640 4.550 -0.000 0.000 0.330 198 Y C 1.359 177.309 175.900 0.083 0.000 1.186 198 Y CA 0.096 58.257 58.100 0.101 0.000 1.467 198 Y CB -0.518 37.995 38.460 0.088 0.000 1.262 198 Y HN 0.869 nan 8.280 nan 0.000 0.550 199 N N -1.453 117.388 118.700 0.235 0.000 2.909 199 N HA -0.197 4.543 4.740 -0.000 0.000 0.242 199 N C -0.465 175.119 175.510 0.125 0.000 0.975 199 N CA 0.399 53.542 53.050 0.156 0.000 0.921 199 N CB -0.918 37.652 38.487 0.139 0.000 1.112 199 N HN 0.690 nan 8.380 nan 0.000 0.581 200 A N -0.071 122.814 122.820 0.108 0.000 2.288 200 A HA 0.718 5.038 4.320 -0.000 0.000 0.328 200 A C 0.318 177.936 177.584 0.057 0.000 1.123 200 A CA -0.200 51.877 52.037 0.067 0.000 0.861 200 A CB 0.906 19.909 19.000 0.004 0.000 1.272 200 A HN 0.070 nan 8.150 nan 0.000 0.490 201 T N 2.604 117.167 114.554 0.015 0.000 2.761 201 T HA 0.261 4.611 4.350 -0.000 0.000 0.296 201 T C -0.166 174.459 174.700 -0.125 0.000 0.934 201 T CA -0.089 62.009 62.100 -0.003 0.000 1.091 201 T CB -0.280 68.614 68.868 0.043 0.000 0.896 201 T HN 0.547 nan 8.240 nan 0.000 0.515 202 N N 2.503 121.158 118.700 -0.074 0.000 2.372 202 N HA 0.515 5.255 4.740 -0.000 0.000 0.291 202 N C -1.116 174.194 175.510 -0.333 0.000 1.024 202 N CA -0.422 52.513 53.050 -0.192 0.000 0.873 202 N CB 2.356 40.850 38.487 0.012 0.000 1.206 202 N HN 0.249 nan 8.380 nan 0.000 0.486 203 V N 2.860 122.412 119.914 -0.603 0.000 2.656 203 V HA 0.451 4.570 4.120 -0.000 0.000 0.307 203 V C -1.256 174.297 176.094 -0.900 0.000 1.051 203 V CA -0.640 61.302 62.300 -0.597 0.000 0.893 203 V CB 1.351 32.869 31.823 -0.508 0.000 0.999 203 V HN 0.514 nan 8.190 nan 0.000 0.426 204 Y N 3.603 123.687 120.300 -0.361 0.000 2.376 204 Y HA 0.648 5.198 4.550 -0.000 0.000 0.340 204 Y C -0.600 175.063 175.900 -0.395 0.000 0.965 204 Y CA -0.805 57.145 58.100 -0.249 0.000 1.078 204 Y CB 1.763 40.185 38.460 -0.063 0.000 1.193 204 Y HN 0.508 nan 8.280 nan 0.000 0.452 205 F N 2.529 122.587 119.950 0.180 0.000 2.453 205 F HA 0.334 4.861 4.527 -0.000 0.000 0.358 205 F C 0.960 176.840 175.800 0.133 0.000 1.129 205 F CA -1.133 56.938 58.000 0.118 0.000 1.200 205 F CB 0.432 39.470 39.000 0.063 0.000 1.431 205 F HN 0.581 nan 8.300 nan 0.000 0.503 206 N N 1.475 120.332 118.700 0.261 0.000 2.573 206 N HA -0.136 4.604 4.740 -0.000 0.000 0.187 206 N C 1.234 176.832 175.510 0.146 0.000 1.107 206 N CA 0.632 53.790 53.050 0.181 0.000 0.918 206 N CB 0.096 38.651 38.487 0.114 0.000 0.966 206 N HN 0.498 nan 8.380 nan 0.000 0.448 207 N N -0.387 118.412 118.700 0.163 0.000 2.280 207 N HA 0.022 4.762 4.740 -0.000 0.000 0.192 207 N C 0.169 175.742 175.510 0.104 0.000 1.109 207 N CA 0.060 53.172 53.050 0.104 0.000 0.855 207 N CB 0.237 38.776 38.487 0.087 0.000 0.974 207 N HN 0.115 nan 8.380 nan 0.000 0.482 208 M N 0.544 120.237 119.600 0.154 0.000 2.578 208 M HA 0.318 4.798 4.480 -0.000 0.000 0.321 208 M C -0.063 176.340 176.300 0.172 0.000 1.182 208 M CA -0.654 54.727 55.300 0.136 0.000 0.965 208 M CB 2.187 34.860 32.600 0.122 0.000 1.694 208 M HN 0.008 nan 8.290 nan 0.000 0.461 209 T N -3.561 111.092 114.554 0.165 0.000 2.922 209 T HA 0.286 4.636 4.350 -0.000 0.000 0.281 209 T C 0.792 175.662 174.700 0.284 0.000 1.005 209 T CA -0.504 61.729 62.100 0.222 0.000 0.982 209 T CB 1.036 70.022 68.868 0.197 0.000 1.158 209 T HN 0.746 nan 8.240 nan 0.000 0.566 210 H N 0.078 119.299 119.070 0.252 0.000 2.265 210 H HA -0.109 4.447 4.556 -0.000 0.000 0.293 210 H C 1.768 177.297 175.328 0.335 0.000 1.089 210 H CA 2.656 58.900 56.048 0.327 0.000 1.244 210 H CB -0.693 29.306 29.762 0.396 0.000 1.355 210 H HN 0.339 nan 8.280 nan 0.000 0.485 211 V N 0.416 120.437 119.914 0.178 0.000 2.535 211 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 211 V C 2.500 178.557 176.094 -0.062 0.000 1.045 211 V CA 1.641 63.928 62.300 -0.021 0.000 1.058 211 V CB -0.577 31.248 31.823 0.003 0.000 0.689 211 V HN 0.509 nan 8.190 nan 0.000 0.461 212 Q N 0.230 120.054 119.800 0.040 0.000 2.112 212 Q HA -0.291 4.049 4.340 -0.000 0.000 0.206 212 Q C 2.280 178.254 176.000 -0.043 0.000 0.987 212 Q CA 2.369 58.182 55.803 0.016 0.000 0.858 212 Q CB -0.286 28.487 28.738 0.058 0.000 0.905 212 Q HN 0.643 nan 8.270 nan 0.000 0.420 213 L N 0.114 121.335 121.223 -0.003 0.000 2.042 213 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 213 L C 2.606 179.412 176.870 -0.107 0.000 1.076 213 L CA 1.797 56.636 54.840 -0.001 0.000 0.749 213 L CB -0.540 41.590 42.059 0.119 0.000 0.893 213 L HN 0.539 nan 8.230 nan 0.000 0.432 214 C N -0.421 118.725 119.300 -0.258 0.000 2.425 214 C HA -0.129 4.331 4.460 -0.000 0.000 0.277 214 C C 2.795 177.615 174.990 -0.283 0.000 1.280 214 C CA 1.583 60.373 59.018 -0.381 0.000 1.744 214 C CB -1.067 26.121 27.740 -0.920 0.000 1.989 214 C HN 0.783 nan 8.230 nan 0.000 0.491 215 T N -2.121 112.283 114.554 -0.249 0.000 3.069 215 T HA 0.144 4.494 4.350 -0.000 0.000 0.252 215 T C 0.717 175.274 174.700 -0.238 0.000 1.053 215 T CA 0.658 62.612 62.100 -0.243 0.000 0.964 215 T CB -0.309 68.470 68.868 -0.149 0.000 1.005 215 T HN 0.425 nan 8.240 nan 0.000 0.532 216 S N 2.946 118.510 115.700 -0.225 0.000 2.572 216 S HA 0.224 4.694 4.470 -0.000 0.000 0.279 216 S C -1.070 173.312 174.600 -0.363 0.000 1.341 216 S CA -1.303 56.722 58.200 -0.290 0.000 1.043 216 S CB 1.097 64.121 63.200 -0.293 0.000 0.887 216 S HN 0.153 nan 8.310 nan 0.000 0.516 217 P HA -0.027 nan 4.420 nan 0.000 0.221 217 P C 0.615 177.736 177.300 -0.298 0.000 1.150 217 P CA 0.947 63.777 63.100 -0.451 0.000 0.800 217 P CB 0.121 31.404 31.700 -0.696 0.000 0.787 218 E N -0.263 119.703 120.200 -0.390 0.000 2.106 218 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 218 E C 2.139 178.575 176.600 -0.273 0.000 0.984 218 E CA 1.553 57.733 56.400 -0.367 0.000 0.806 218 E CB -1.355 27.974 29.700 -0.619 0.000 0.750 218 E HN 0.204 nan 8.360 nan 0.000 0.458 219 T N 0.828 115.207 114.554 -0.292 0.000 2.746 219 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 219 T C 1.494 176.139 174.700 -0.091 0.000 1.039 219 T CA 1.094 63.148 62.100 -0.076 0.000 1.142 219 T CB -0.431 68.391 68.868 -0.077 0.000 0.866 219 T HN 0.171 nan 8.240 nan 0.000 0.444 220 F N 2.525 122.305 119.950 -0.285 0.000 2.095 220 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 220 F C 2.440 178.084 175.800 -0.259 0.000 1.104 220 F CA 1.130 58.906 58.000 -0.372 0.000 1.232 220 F CB -0.814 37.867 39.000 -0.531 0.000 0.987 220 F HN 0.147 nan 8.300 nan 0.000 0.475 221 A N -0.126 122.500 122.820 -0.324 0.000 1.902 221 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 221 A C 2.322 179.779 177.584 -0.212 0.000 1.181 221 A CA 1.989 53.826 52.037 -0.333 0.000 0.623 221 A CB -1.407 17.512 19.000 -0.135 0.000 0.818 221 A HN 0.304 nan 8.150 nan 0.000 0.443 222 V N -0.030 119.829 119.914 -0.093 0.000 2.343 222 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 222 V C 2.641 178.713 176.094 -0.037 0.000 1.051 222 V CA 2.213 64.507 62.300 -0.010 0.000 1.036 222 V CB -0.709 31.155 31.823 0.068 0.000 0.654 222 V HN 0.571 nan 8.190 nan 0.000 0.451 223 M N -1.287 118.250 119.600 -0.104 0.000 2.099 223 M HA -0.132 4.348 4.480 -0.000 0.000 0.262 223 M C 2.204 178.473 176.300 -0.051 0.000 1.067 223 M CA 2.040 57.315 55.300 -0.042 0.000 1.124 223 M CB -0.535 32.068 32.600 0.005 0.000 1.353 223 M HN 0.399 nan 8.290 nan 0.000 0.410 224 F N 1.428 121.107 119.950 -0.451 0.000 2.134 224 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 224 F C 2.409 178.035 175.800 -0.291 0.000 1.097 224 F CA 2.033 59.767 58.000 -0.444 0.000 1.264 224 F CB -0.304 38.116 39.000 -0.966 0.000 1.001 224 F HN 0.181 nan 8.300 nan 0.000 0.479 225 E N -0.818 119.394 120.200 0.020 0.000 2.106 225 E HA -0.259 4.091 4.350 -0.000 0.000 0.192 225 E C 2.254 178.821 176.600 -0.055 0.000 0.984 225 E CA 1.175 57.571 56.400 -0.006 0.000 0.806 225 E CB -0.497 29.234 29.700 0.051 0.000 0.750 225 E HN 0.456 nan 8.360 nan 0.000 0.458 226 F N 1.878 121.728 119.950 -0.167 0.000 2.134 226 F HA -0.134 4.393 4.527 -0.000 0.000 0.299 226 F C 2.077 177.653 175.800 -0.374 0.000 1.097 226 F CA 1.748 59.639 58.000 -0.182 0.000 1.264 226 F CB -0.099 38.816 39.000 -0.142 0.000 1.001 226 F HN 0.125 nan 8.300 nan 0.000 0.479 227 I N -2.889 117.436 120.570 -0.409 0.000 3.603 227 I HA 0.073 4.242 4.170 -0.000 0.000 0.297 227 I C 0.983 176.783 176.117 -0.530 0.000 1.269 227 I CA 0.738 61.545 61.300 -0.822 0.000 1.361 227 I CB -0.356 37.382 38.000 -0.437 0.000 1.063 227 I HN 0.048 nan 8.210 nan 0.000 0.448 228 N N 1.340 119.768 118.700 -0.454 0.000 2.273 228 N HA 0.157 4.897 4.740 -0.000 0.000 0.192 228 N C 1.425 176.829 175.510 -0.175 0.000 1.132 228 N CA 1.090 53.915 53.050 -0.375 0.000 0.887 228 N CB 1.294 39.289 38.487 -0.819 0.000 1.048 228 N HN 0.547 nan 8.380 nan 0.000 0.490 229 G N 0.925 109.629 108.800 -0.161 0.000 2.157 229 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.248 229 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.248 229 G C -0.321 174.692 174.900 0.189 0.000 0.979 229 G CA 0.865 45.977 45.100 0.020 0.000 0.650 229 G HN 0.498 nan 8.290 nan 0.000 0.529 230 Y N -2.146 118.224 120.300 0.117 0.000 2.624 230 Y HA 0.749 5.299 4.550 -0.000 0.000 0.334 230 Y C -0.248 175.808 175.900 0.259 0.000 1.155 230 Y CA -2.044 56.155 58.100 0.165 0.000 1.046 230 Y CB 0.595 39.157 38.460 0.171 0.000 1.316 230 Y HN 0.081 nan 8.280 nan 0.000 0.457 231 K N 3.578 124.159 120.400 0.301 0.000 2.326 231 K HA 0.306 4.626 4.320 -0.000 0.000 0.275 231 K C -2.506 174.163 176.600 0.114 0.000 1.018 231 K CA -1.571 54.807 56.287 0.152 0.000 0.962 231 K CB 0.368 32.926 32.500 0.096 0.000 0.953 231 K HN 0.475 nan 8.250 nan 0.000 0.475 232 P HA -0.023 nan 4.420 nan 0.000 0.271 232 P C -0.172 177.025 177.300 -0.172 0.000 1.218 232 P CA -0.041 62.690 63.100 -0.615 0.000 0.780 232 P CB 1.223 32.250 31.700 -1.121 0.000 0.901 233 A N 2.260 125.037 122.820 -0.071 0.000 2.019 233 A HA -0.004 4.316 4.320 -0.000 0.000 0.219 233 A C 1.209 178.766 177.584 -0.045 0.000 1.164 233 A CA 1.698 53.730 52.037 -0.007 0.000 0.644 233 A CB -0.636 18.386 19.000 0.038 0.000 0.805 233 A HN 0.667 nan 8.150 nan 0.000 0.449 234 T N -3.213 111.285 114.554 -0.093 0.000 2.853 234 T HA 0.423 4.773 4.350 -0.000 0.000 0.311 234 T C 0.321 174.942 174.700 -0.132 0.000 1.307 234 T CA 0.303 62.345 62.100 -0.096 0.000 1.019 234 T CB 1.573 70.386 68.868 -0.091 0.000 1.264 234 T HN 0.336 nan 8.240 nan 0.000 0.497 235 T N -0.788 113.677 114.554 -0.148 0.000 3.040 235 T HA 0.348 4.698 4.350 -0.000 0.000 0.266 235 T C -0.075 174.429 174.700 -0.326 0.000 1.005 235 T CA -0.356 61.607 62.100 -0.229 0.000 0.906 235 T CB 0.050 68.833 68.868 -0.141 0.000 1.082 235 T HN 0.461 nan 8.240 nan 0.000 0.531 236 D N 1.548 121.812 120.400 -0.226 0.000 2.313 236 D HA 0.307 4.947 4.640 -0.000 0.000 0.247 236 D C 0.095 176.264 176.300 -0.219 0.000 1.094 236 D CA -0.522 53.370 54.000 -0.181 0.000 0.925 236 D CB 1.294 42.035 40.800 -0.098 0.000 1.188 236 D HN 0.315 nan 8.370 nan 0.000 0.430 237 I N 2.053 122.521 120.570 -0.170 0.000 2.260 237 I HA -0.003 4.167 4.170 -0.000 0.000 0.297 237 I C -0.062 176.008 176.117 -0.079 0.000 1.143 237 I CA -0.404 60.806 61.300 -0.150 0.000 1.271 237 I CB 0.289 38.224 38.000 -0.109 0.000 1.461 237 I HN -0.095 nan 8.210 nan 0.000 0.530 238 V N 8.830 128.697 119.914 -0.079 0.000 2.485 238 V HA 0.067 4.187 4.120 -0.000 0.000 0.287 238 V C -1.829 174.263 176.094 -0.004 0.000 1.022 238 V CA -1.183 61.094 62.300 -0.037 0.000 1.067 238 V CB 0.012 31.814 31.823 -0.035 0.000 0.967 238 V HN 0.519 nan 8.190 nan 0.000 0.479 239 P HA 0.127 nan 4.420 nan 0.000 0.269 239 P C -0.349 176.972 177.300 0.034 0.000 1.209 239 P CA -0.150 62.968 63.100 0.029 0.000 0.776 239 P CB 0.393 32.108 31.700 0.025 0.000 0.876 240 Q N 1.409 121.238 119.800 0.050 0.000 2.249 240 Q HA 0.338 4.678 4.340 -0.000 0.000 0.226 240 Q C -0.673 175.355 176.000 0.046 0.000 0.983 240 Q CA -0.859 54.974 55.803 0.050 0.000 0.930 240 Q CB 0.606 29.382 28.738 0.062 0.000 1.193 240 Q HN 0.321 nan 8.270 nan 0.000 0.508 241 D N -0.212 120.215 120.400 0.045 0.000 2.339 241 D HA 0.465 5.105 4.640 -0.000 0.000 0.245 241 D C 0.338 176.669 176.300 0.051 0.000 1.115 241 D CA 1.213 55.238 54.000 0.042 0.000 0.917 241 D CB 0.998 41.822 40.800 0.039 0.000 1.192 241 D HN 0.885 nan 8.370 nan 0.000 0.428 242 G N 1.335 110.162 108.800 0.045 0.000 2.699 242 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 242 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 242 G C -0.191 174.722 174.900 0.021 0.000 1.301 242 G CA -0.632 44.504 45.100 0.059 0.000 0.816 242 G HN 0.410 nan 8.290 nan 0.000 0.595 243 D N -0.448 119.935 120.400 -0.028 0.000 2.339 243 D HA 0.244 4.884 4.640 -0.000 0.000 0.217 243 D C 0.320 176.361 176.300 -0.432 0.000 1.050 243 D CA 1.046 54.898 54.000 -0.247 0.000 0.856 243 D CB 0.146 40.704 40.800 -0.403 0.000 0.922 243 D HN 0.368 nan 8.370 nan 0.000 0.518 244 Y N -0.435 119.910 120.300 0.074 0.000 2.536 244 Y HA 0.469 5.019 4.550 -0.000 0.000 0.347 244 Y C 0.195 176.133 175.900 0.064 0.000 1.000 244 Y CA -1.390 56.757 58.100 0.078 0.000 1.051 244 Y CB 1.960 40.453 38.460 0.055 0.000 1.259 244 Y HN -0.316 nan 8.280 nan 0.000 0.468 245 V N -0.868 119.180 119.914 0.222 0.000 3.007 245 V HA 0.627 4.747 4.120 -0.000 0.000 0.311 245 V C -1.084 175.027 176.094 0.030 0.000 1.120 245 V CA -1.466 60.899 62.300 0.109 0.000 0.980 245 V CB 1.931 33.816 31.823 0.102 0.000 1.033 245 V HN 0.738 nan 8.190 nan 0.000 0.429 246 K N 1.809 122.187 120.400 -0.038 0.000 2.183 246 K HA 0.751 5.071 4.320 -0.000 0.000 0.274 246 K C -1.560 174.911 176.600 -0.216 0.000 1.009 246 K CA -0.520 55.704 56.287 -0.105 0.000 0.888 246 K CB 1.807 34.245 32.500 -0.103 0.000 1.078 246 K HN 0.703 nan 8.250 nan 0.000 0.459 247 V N 5.030 124.788 119.914 -0.260 0.000 2.483 247 V HA 0.313 4.433 4.120 -0.000 0.000 0.297 247 V C -0.717 175.164 176.094 -0.355 0.000 1.027 247 V CA -0.857 61.216 62.300 -0.378 0.000 0.855 247 V CB 1.630 33.155 31.823 -0.496 0.000 0.995 247 V HN 0.757 nan 8.190 nan 0.000 0.424 248 K N 3.201 123.335 120.400 -0.443 0.000 2.307 248 K HA 0.763 5.083 4.320 -0.000 0.000 0.263 248 K C 0.121 176.341 176.600 -0.633 0.000 0.973 248 K CA -0.311 55.656 56.287 -0.534 0.000 0.846 248 K CB 2.249 34.481 32.500 -0.446 0.000 1.100 248 K HN 0.893 nan 8.250 nan 0.000 0.438 249 G N 2.023 110.184 108.800 -1.066 0.000 2.766 249 G HA2 0.578 4.538 3.960 -0.000 0.000 0.288 249 G HA3 0.578 4.538 3.960 -0.000 0.000 0.288 249 G C -1.416 173.124 174.900 -0.599 0.000 1.408 249 G CA -0.573 44.051 45.100 -0.793 0.000 0.852 249 G HN 0.377 nan 8.290 nan 0.000 0.487 250 K N -0.676 119.675 120.400 -0.081 0.000 2.502 250 K HA 0.455 4.775 4.320 -0.000 0.000 0.257 250 K C -1.869 174.756 176.600 0.043 0.000 0.938 250 K CA -0.577 55.752 56.287 0.069 0.000 0.819 250 K CB 2.651 35.139 32.500 -0.019 0.000 1.333 250 K HN 0.282 nan 8.250 nan 0.000 0.434 251 F N 4.105 124.087 119.950 0.053 0.000 2.385 251 F HA 0.435 4.962 4.527 -0.000 0.000 0.360 251 F C 0.022 175.772 175.800 -0.083 0.000 1.122 251 F CA -0.629 57.273 58.000 -0.164 0.000 1.090 251 F CB 0.837 39.488 39.000 -0.581 0.000 1.150 251 F HN 0.226 nan 8.300 nan 0.000 0.472 252 L N 0.968 122.211 121.223 0.033 0.000 2.359 252 L HA 0.991 5.331 4.340 -0.000 0.000 0.256 252 L C -0.784 176.125 176.870 0.066 0.000 1.026 252 L CA -1.514 53.352 54.840 0.043 0.000 0.828 252 L CB 1.686 43.740 42.059 -0.009 0.000 1.406 252 L HN 0.482 nan 8.230 nan 0.000 0.413 253 A N 1.373 124.233 122.820 0.068 0.000 2.450 253 A HA 0.348 4.668 4.320 -0.000 0.000 0.255 253 A C -0.412 177.242 177.584 0.117 0.000 1.096 253 A CA -0.205 51.896 52.037 0.106 0.000 0.778 253 A CB -0.174 18.875 19.000 0.082 0.000 1.031 253 A HN 0.589 nan 8.150 nan 0.000 0.494 254 F N 3.334 123.308 119.950 0.040 0.000 2.608 254 F HA 0.302 4.829 4.527 -0.000 0.000 0.380 254 F C 1.241 177.059 175.800 0.030 0.000 1.083 254 F CA 1.010 59.033 58.000 0.038 0.000 1.266 254 F CB 0.091 39.151 39.000 0.100 0.000 1.076 254 F HN 1.389 nan 8.300 nan 0.000 0.574 255 A N 2.705 125.080 122.820 -0.741 0.000 2.617 255 A HA -0.396 3.924 4.320 -0.000 0.000 0.236 255 A C 1.811 179.211 177.584 -0.308 0.000 0.551 255 A CA 2.252 53.886 52.037 -0.673 0.000 1.144 255 A CB -2.786 15.734 19.000 -0.800 0.000 1.384 255 A HN 1.338 nan 8.150 nan 0.000 0.694 256 T N -3.693 110.756 114.554 -0.175 0.000 3.051 256 T HA 0.235 4.585 4.350 -0.000 0.000 0.255 256 T C 0.875 175.526 174.700 -0.082 0.000 1.085 256 T CA 1.006 63.058 62.100 -0.080 0.000 1.109 256 T CB -0.096 68.765 68.868 -0.012 0.000 0.921 256 T HN 1.168 nan 8.240 nan 0.000 0.488 257 N N 1.350 119.988 118.700 -0.102 0.000 2.741 257 N HA -0.106 4.634 4.740 -0.000 0.000 0.251 257 N C 0.433 175.914 175.510 -0.048 0.000 1.112 257 N CA 0.970 53.959 53.050 -0.101 0.000 0.750 257 N CB -1.621 36.758 38.487 -0.180 0.000 1.119 257 N HN 0.783 nan 8.380 nan 0.000 0.561 258 G N -0.138 108.655 108.800 -0.011 0.000 2.527 258 G HA2 0.284 4.244 3.960 -0.000 0.000 0.248 258 G HA3 0.284 4.244 3.960 -0.000 0.000 0.248 258 G C -0.019 174.895 174.900 0.023 0.000 1.231 258 G CA -0.216 44.889 45.100 0.009 0.000 0.838 258 G HN 0.088 nan 8.290 nan 0.000 0.570 259 D N -0.631 119.784 120.400 0.024 0.000 2.443 259 D HA 0.234 4.874 4.640 -0.000 0.000 0.239 259 D C 0.211 176.551 176.300 0.067 0.000 1.136 259 D CA 0.259 54.284 54.000 0.043 0.000 0.879 259 D CB 1.669 42.487 40.800 0.031 0.000 1.195 259 D HN 0.006 nan 8.370 nan 0.000 0.443 260 V N 1.752 121.730 119.914 0.106 0.000 2.513 260 V HA 0.277 4.397 4.120 -0.000 0.000 0.299 260 V C 0.208 176.395 176.094 0.154 0.000 1.035 260 V CA -0.632 61.753 62.300 0.142 0.000 0.889 260 V CB 2.015 33.956 31.823 0.197 0.000 0.988 260 V HN 0.447 nan 8.190 nan 0.000 0.440 261 S N 2.451 118.210 115.700 0.098 0.000 2.541 261 S HA 0.897 5.367 4.470 -0.000 0.000 0.283 261 S C 0.378 174.936 174.600 -0.070 0.000 1.196 261 S CA 0.138 58.335 58.200 -0.005 0.000 1.062 261 S CB 1.552 64.706 63.200 -0.077 0.000 1.009 261 S HN 1.261 nan 8.310 nan 0.000 0.502 262 G N 1.138 109.755 108.800 -0.305 0.000 2.348 262 G HA2 0.459 4.419 3.960 -0.000 0.000 0.296 262 G HA3 0.459 4.419 3.960 -0.000 0.000 0.296 262 G C -2.529 171.813 174.900 -0.930 0.000 1.258 262 G CA -0.902 43.769 45.100 -0.715 0.000 0.868 262 G HN 0.567 nan 8.290 nan 0.000 0.488 263 W N -0.120 120.718 121.300 -0.770 0.000 2.532 263 W HA 0.677 5.337 4.660 -0.000 0.000 0.321 263 W C -0.446 175.750 176.519 -0.537 0.000 1.037 263 W CA -0.685 56.332 57.345 -0.546 0.000 1.220 263 W CB 2.013 31.281 29.460 -0.320 0.000 1.361 263 W HN 0.431 nan 8.180 nan 0.000 0.468 264 L N 3.477 124.561 121.223 -0.231 0.000 2.282 264 L HA 0.716 5.056 4.340 -0.000 0.000 0.288 264 L C -0.349 176.440 176.870 -0.134 0.000 1.033 264 L CA -0.024 54.701 54.840 -0.191 0.000 0.807 264 L CB 1.241 43.076 42.059 -0.373 0.000 1.209 264 L HN 0.260 nan 8.230 nan 0.000 0.423 265 S N 6.224 121.905 115.700 -0.031 0.000 2.659 265 S HA 0.630 5.100 4.470 -0.000 0.000 0.312 265 S C -0.480 174.018 174.600 -0.171 0.000 1.114 265 S CA -0.378 57.812 58.200 -0.015 0.000 1.063 265 S CB 0.886 64.172 63.200 0.144 0.000 0.996 265 S HN 0.524 nan 8.310 nan 0.000 0.478 266 I N 3.541 123.904 120.570 -0.346 0.000 2.377 266 I HA 0.439 4.609 4.170 -0.000 0.000 0.293 266 I C -1.212 174.761 176.117 -0.240 0.000 0.987 266 I CA -0.624 60.449 61.300 -0.380 0.000 1.185 266 I CB 1.042 38.660 38.000 -0.638 0.000 1.341 266 I HN 0.582 nan 8.210 nan 0.000 0.455 267 Y N 6.754 127.119 120.300 0.108 0.000 2.425 267 Y HA 0.420 4.970 4.550 -0.000 0.000 0.344 267 Y C -2.298 173.801 175.900 0.332 0.000 0.969 267 Y CA -2.580 55.645 58.100 0.208 0.000 1.052 267 Y CB 1.870 40.446 38.460 0.192 0.000 1.215 267 Y HN 0.351 nan 8.280 nan 0.000 0.451 268 P HA 0.289 nan 4.420 nan 0.000 0.279 268 P C -0.751 176.639 177.300 0.150 0.000 1.239 268 P CA 0.039 63.215 63.100 0.127 0.000 0.789 268 P CB 1.478 33.210 31.700 0.053 0.000 0.933 269 I N -0.771 119.848 120.570 0.083 0.000 3.002 269 I HA 0.561 4.731 4.170 -0.000 0.000 0.310 269 I C -0.205 175.949 176.117 0.061 0.000 1.087 269 I CA -1.370 60.008 61.300 0.129 0.000 1.017 269 I CB 2.194 40.338 38.000 0.240 0.000 1.226 269 I HN 0.161 nan 8.210 nan 0.000 0.443 270 D N 1.825 122.257 120.400 0.054 0.000 2.478 270 D HA 0.145 4.785 4.640 -0.000 0.000 0.269 270 D C 0.498 176.812 176.300 0.024 0.000 1.232 270 D CA -0.265 53.748 54.000 0.022 0.000 1.059 270 D CB 0.540 41.345 40.800 0.008 0.000 1.104 270 D HN 0.626 nan 8.370 nan 0.000 0.566 271 E N -0.966 119.233 120.200 -0.001 0.000 2.401 271 E HA -0.080 4.270 4.350 -0.000 0.000 0.199 271 E C 0.541 177.132 176.600 -0.015 0.000 1.023 271 E CA 0.796 57.188 56.400 -0.013 0.000 0.859 271 E CB -0.330 29.351 29.700 -0.031 0.000 0.780 271 E HN 0.327 nan 8.360 nan 0.000 0.523 272 N N -0.660 118.030 118.700 -0.017 0.000 2.205 272 N HA 0.123 4.863 4.740 -0.000 0.000 0.201 272 N C 0.732 176.214 175.510 -0.047 0.000 1.128 272 N CA 0.731 53.758 53.050 -0.039 0.000 0.867 272 N CB 1.420 39.876 38.487 -0.051 0.000 0.996 272 N HN 0.263 nan 8.380 nan 0.000 0.503 273 G N 1.372 110.175 108.800 0.005 0.000 2.157 273 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.248 273 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.248 273 G C 0.125 175.059 174.900 0.056 0.000 0.979 273 G CA 0.072 45.202 45.100 0.049 0.000 0.650 273 G HN 0.390 nan 8.290 nan 0.000 0.529 274 K N 0.910 121.319 120.400 0.014 0.000 2.322 274 K HA 0.438 4.758 4.320 -0.000 0.000 0.283 274 K C 0.801 177.433 176.600 0.053 0.000 1.042 274 K CA -0.741 55.546 56.287 -0.000 0.000 0.958 274 K CB 0.314 32.798 32.500 -0.025 0.000 0.984 274 K HN 0.304 nan 8.250 nan 0.000 0.473 275 R N 4.007 124.536 120.500 0.049 0.000 2.489 275 R HA 0.022 4.362 4.340 -0.000 0.000 0.287 275 R C 0.840 177.201 176.300 0.102 0.000 1.053 275 R CA 0.009 56.165 56.100 0.094 0.000 1.036 275 R CB 0.362 30.658 30.300 -0.007 0.000 0.966 275 R HN 0.645 nan 8.270 nan 0.000 0.432 276 L N 1.718 123.022 121.223 0.135 0.000 2.558 276 L HA 0.035 4.375 4.340 -0.000 0.000 0.225 276 L C 0.641 177.583 176.870 0.121 0.000 1.128 276 L CA 0.436 55.338 54.840 0.102 0.000 0.868 276 L CB -0.044 42.063 42.059 0.081 0.000 1.006 276 L HN 0.733 nan 8.230 nan 0.000 0.454 277 T N -4.914 109.751 114.554 0.185 0.000 2.893 277 T HA 0.311 4.661 4.350 -0.000 0.000 0.291 277 T C 0.586 175.417 174.700 0.218 0.000 1.028 277 T CA -0.810 61.395 62.100 0.175 0.000 0.995 277 T CB 2.685 71.655 68.868 0.170 0.000 1.051 277 T HN -0.083 nan 8.240 nan 0.000 0.470 278 R N 0.713 121.303 120.500 0.150 0.000 2.066 278 R HA 0.193 4.533 4.340 -0.000 0.000 0.232 278 R C 0.351 176.781 176.300 0.218 0.000 1.131 278 R CA 0.833 57.019 56.100 0.143 0.000 0.955 278 R CB -0.147 30.201 30.300 0.079 0.000 0.851 278 R HN 0.638 nan 8.270 nan 0.000 0.432 279 L N 1.878 123.193 121.223 0.154 0.000 2.344 279 L HA 0.428 4.768 4.340 -0.000 0.000 0.272 279 L C -2.093 174.753 176.870 -0.040 0.000 1.035 279 L CA -2.626 52.264 54.840 0.083 0.000 0.807 279 L CB 1.600 43.655 42.059 -0.007 0.000 1.237 279 L HN 0.080 nan 8.230 nan 0.000 0.442 280 P HA -0.016 nan 4.420 nan 0.000 0.272 280 P C 0.660 177.808 177.300 -0.254 0.000 1.223 280 P CA -0.224 62.445 63.100 -0.718 0.000 0.784 280 P CB 1.045 32.248 31.700 -0.828 0.000 0.923 281 V N -1.222 118.594 119.914 -0.163 0.000 3.041 281 V HA 0.088 4.208 4.120 -0.000 0.000 0.260 281 V C 0.552 176.609 176.094 -0.061 0.000 1.105 281 V CA 1.230 63.505 62.300 -0.042 0.000 1.125 281 V CB -1.039 30.817 31.823 0.055 0.000 0.730 281 V HN 0.356 nan 8.190 nan 0.000 0.479 282 K N 0.599 120.927 120.400 -0.121 0.000 2.513 282 K HA 0.539 4.859 4.320 -0.000 0.000 0.251 282 K C -1.868 174.706 176.600 -0.043 0.000 0.939 282 K CA -0.322 55.910 56.287 -0.092 0.000 0.793 282 K CB 2.727 35.133 32.500 -0.157 0.000 1.241 282 K HN 0.235 nan 8.250 nan 0.000 0.431 283 F N 4.872 124.744 119.950 -0.130 0.000 2.562 283 F HA 0.584 5.111 4.527 -0.000 0.000 0.319 283 F C -1.131 174.663 175.800 -0.010 0.000 1.154 283 F CA -0.662 57.285 58.000 -0.089 0.000 0.931 283 F CB 1.179 40.132 39.000 -0.078 0.000 1.198 283 F HN 0.544 nan 8.300 nan 0.000 0.444 284 M N 4.322 123.465 119.600 -0.761 0.000 2.534 284 M HA 0.553 5.033 4.480 -0.000 0.000 0.280 284 M C -1.622 174.348 176.300 -0.550 0.000 1.217 284 M CA -1.063 53.909 55.300 -0.547 0.000 0.893 284 M CB 2.161 34.603 32.600 -0.263 0.000 1.730 284 M HN 0.594 nan 8.290 nan 0.000 0.483 285 R N 2.061 122.250 120.500 -0.518 0.000 2.389 285 R HA 0.650 4.990 4.340 -0.000 0.000 0.295 285 R C -1.246 174.768 176.300 -0.477 0.000 1.075 285 R CA -0.185 55.414 56.100 -0.836 0.000 1.005 285 R CB 0.737 30.538 30.300 -0.832 0.000 0.987 285 R HN 0.710 nan 8.270 nan 0.000 0.452 286 V N 0.815 120.468 119.914 -0.435 0.000 2.735 286 V HA 0.652 4.772 4.120 -0.000 0.000 0.310 286 V C -0.897 175.116 176.094 -0.135 0.000 1.061 286 V CA -0.939 61.254 62.300 -0.179 0.000 0.913 286 V CB 2.228 34.018 31.823 -0.055 0.000 1.005 286 V HN 0.789 nan 8.190 nan 0.000 0.428 287 K N 3.693 124.064 120.400 -0.049 0.000 2.687 287 K HA 0.676 4.996 4.320 -0.000 0.000 0.197 287 K C 0.715 177.339 176.600 0.040 0.000 1.049 287 K CA 0.039 56.312 56.287 -0.024 0.000 1.030 287 K CB 1.011 33.478 32.500 -0.055 0.000 1.261 287 K HN 1.502 nan 8.250 nan 0.000 0.565 288 G N 2.016 110.877 108.800 0.101 0.000 4.026 288 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.309 288 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.309 288 G C -0.270 174.740 174.900 0.184 0.000 1.411 288 G CA -0.058 45.116 45.100 0.123 0.000 1.037 288 G HN 0.543 nan 8.290 nan 0.000 0.687 289 D N 1.927 122.384 120.400 0.095 0.000 2.423 289 D HA 0.539 5.179 4.640 -0.000 0.000 0.238 289 D C 0.238 176.634 176.300 0.159 0.000 1.142 289 D CA 1.472 55.500 54.000 0.048 0.000 0.884 289 D CB 0.726 41.508 40.800 -0.029 0.000 1.199 289 D HN 0.709 nan 8.370 nan 0.000 0.438 290 F N -1.630 118.318 119.950 -0.003 0.000 2.678 290 F HA 0.503 5.030 4.527 -0.000 0.000 0.308 290 F C -1.201 174.578 175.800 -0.036 0.000 1.118 290 F CA -1.070 56.921 58.000 -0.014 0.000 0.959 290 F CB 1.690 40.703 39.000 0.023 0.000 1.305 290 F HN 0.174 nan 8.300 nan 0.000 0.443 291 E N 2.435 122.636 120.200 0.001 0.000 2.275 291 E HA 0.681 5.030 4.350 -0.000 0.000 0.270 291 E C -2.258 174.372 176.600 0.050 0.000 0.882 291 E CA -0.936 55.405 56.400 -0.098 0.000 0.758 291 E CB 2.943 32.571 29.700 -0.120 0.000 1.195 291 E HN 0.855 nan 8.360 nan 0.000 0.419 292 V N 3.707 123.641 119.914 0.032 0.000 3.114 292 V HA 0.594 4.714 4.120 -0.000 0.000 0.308 292 V C -1.518 174.554 176.094 -0.037 0.000 1.168 292 V CA -0.773 61.540 62.300 0.022 0.000 1.015 292 V CB 2.190 34.052 31.823 0.065 0.000 1.050 292 V HN 0.764 nan 8.190 nan 0.000 0.433 293 R N 4.092 124.572 120.500 -0.033 0.000 2.338 293 R HA 0.782 5.122 4.340 -0.000 0.000 0.317 293 R C -1.553 174.775 176.300 0.047 0.000 0.968 293 R CA -0.432 55.664 56.100 -0.007 0.000 0.849 293 R CB 1.177 31.455 30.300 -0.036 0.000 1.128 293 R HN 0.789 nan 8.270 nan 0.000 0.448 294 L N 2.874 124.165 121.223 0.114 0.000 2.277 294 L HA 0.600 4.940 4.340 -0.000 0.000 0.254 294 L C -0.117 176.981 176.870 0.379 0.000 1.044 294 L CA -1.396 53.551 54.840 0.179 0.000 0.842 294 L CB 2.145 44.190 42.059 -0.023 0.000 1.422 294 L HN 0.559 nan 8.230 nan 0.000 0.422 295 R N 1.201 121.975 120.500 0.455 0.000 2.298 295 R HA 0.206 4.546 4.340 -0.000 0.000 0.310 295 R C -0.338 176.105 176.300 0.238 0.000 1.068 295 R CA -0.566 55.653 56.100 0.197 0.000 0.957 295 R CB 1.029 31.406 30.300 0.128 0.000 1.003 295 R HN 0.376 nan 8.270 nan 0.000 0.454 296 K N 1.376 121.832 120.400 0.093 0.000 2.451 296 K HA -0.008 4.312 4.320 -0.000 0.000 0.280 296 K C 0.745 177.405 176.600 0.100 0.000 1.020 296 K CA 1.113 57.481 56.287 0.136 0.000 1.008 296 K CB 0.402 32.943 32.500 0.068 0.000 0.917 296 K HN 0.802 nan 8.250 nan 0.000 0.478 297 G N 2.271 111.151 108.800 0.133 0.000 2.179 297 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 297 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 297 G C -0.096 174.830 174.900 0.042 0.000 0.977 297 G CA 0.664 45.805 45.100 0.067 0.000 0.641 297 G HN 0.650 nan 8.290 nan 0.000 0.533 298 Q N 0.385 120.224 119.800 0.065 0.000 2.235 298 Q HA 0.709 5.049 4.340 -0.000 0.000 0.250 298 Q C 0.344 176.262 176.000 -0.137 0.000 0.909 298 Q CA -0.629 55.119 55.803 -0.091 0.000 0.910 298 Q CB 0.736 29.348 28.738 -0.210 0.000 1.223 298 Q HN 0.378 nan 8.270 nan 0.000 0.432 299 L N 4.501 125.626 121.223 -0.163 0.000 2.349 299 L HA 0.368 4.708 4.340 -0.000 0.000 0.275 299 L C -0.786 175.999 176.870 -0.141 0.000 1.115 299 L CA -0.344 54.490 54.840 -0.009 0.000 0.820 299 L CB 0.396 42.500 42.059 0.076 0.000 1.135 299 L HN 0.715 nan 8.230 nan 0.000 0.445 300 Y N 0.816 121.335 120.300 0.365 0.000 2.576 300 Y HA 0.375 4.925 4.550 -0.000 0.000 0.346 300 Y C -0.164 176.005 175.900 0.449 0.000 1.018 300 Y CA -0.888 57.449 58.100 0.395 0.000 1.050 300 Y CB 1.848 40.582 38.460 0.457 0.000 1.280 300 Y HN 0.446 nan 8.280 nan 0.000 0.474 301 E N 2.172 122.703 120.200 0.552 0.000 2.151 301 E HA 0.385 4.735 4.350 -0.000 0.000 0.275 301 E C -1.870 174.959 176.600 0.381 0.000 0.936 301 E CA -0.481 56.111 56.400 0.320 0.000 0.777 301 E CB 0.759 30.654 29.700 0.326 0.000 1.108 301 E HN 0.579 nan 8.360 nan 0.000 0.401 302 F N 3.619 123.639 119.950 0.117 0.000 2.332 302 F HA 0.195 4.722 4.527 -0.000 0.000 0.368 302 F C 0.528 176.423 175.800 0.159 0.000 1.110 302 F CA -0.611 57.450 58.000 0.103 0.000 1.087 302 F CB 1.511 40.492 39.000 -0.032 0.000 1.235 302 F HN 0.388 nan 8.300 nan 0.000 0.470 303 Q N 4.693 124.637 119.800 0.241 0.000 2.257 303 Q HA 0.363 4.702 4.340 -0.000 0.000 0.255 303 Q C -1.781 174.339 176.000 0.201 0.000 0.920 303 Q CA -0.556 55.335 55.803 0.146 0.000 0.927 303 Q CB 1.299 30.113 28.738 0.126 0.000 1.229 303 Q HN 0.612 nan 8.270 nan 0.000 0.433 304 F N 3.373 123.352 119.950 0.049 0.000 2.529 304 F HA 0.503 5.030 4.527 -0.000 0.000 0.320 304 F C -1.037 174.823 175.800 0.099 0.000 1.118 304 F CA -0.716 57.271 58.000 -0.021 0.000 0.915 304 F CB 1.491 40.460 39.000 -0.051 0.000 1.161 304 F HN 0.482 nan 8.300 nan 0.000 0.445 305 R N 5.313 125.469 120.500 -0.573 0.000 2.360 305 R HA 0.333 4.673 4.340 -0.000 0.000 0.318 305 R C -0.864 175.016 176.300 -0.700 0.000 0.950 305 R CA -0.983 54.921 56.100 -0.326 0.000 0.837 305 R CB 1.990 32.221 30.300 -0.115 0.000 1.165 305 R HN 0.667 nan 8.270 nan 0.000 0.458 306 K N 1.518 121.748 120.400 -0.282 0.000 2.118 306 K HA 0.247 4.567 4.320 -0.000 0.000 0.267 306 K C -0.681 175.915 176.600 -0.007 0.000 0.991 306 K CA -0.872 55.309 56.287 -0.177 0.000 0.916 306 K CB 0.995 33.587 32.500 0.154 0.000 1.041 306 K HN 0.198 nan 8.250 nan 0.000 0.455 307 D N 1.947 122.356 120.400 0.014 0.000 2.488 307 D HA -0.030 4.610 4.640 -0.000 0.000 0.238 307 D C 0.270 176.724 176.300 0.256 0.000 1.138 307 D CA 0.522 54.589 54.000 0.111 0.000 0.873 307 D CB -0.039 40.801 40.800 0.066 0.000 1.183 307 D HN 0.789 nan 8.370 nan 0.000 0.458 308 F N -0.033 119.941 119.950 0.041 0.000 2.884 308 F HA -0.339 4.187 4.527 -0.000 0.000 0.294 308 F C -0.194 175.638 175.800 0.053 0.000 0.723 308 F CA 0.607 58.633 58.000 0.043 0.000 1.294 308 F CB -0.792 38.233 39.000 0.041 0.000 1.551 308 F HN 0.294 nan 8.300 nan 0.000 0.363 309 S N 0.468 116.211 115.700 0.073 0.000 2.526 309 S HA 0.623 5.093 4.470 -0.000 0.000 0.293 309 S C -1.108 173.486 174.600 -0.009 0.000 1.092 309 S CA -0.555 57.646 58.200 0.002 0.000 0.980 309 S CB 2.026 65.311 63.200 0.141 0.000 1.048 309 S HN 0.052 nan 8.310 nan 0.000 0.483 310 P HA 0.238 nan 4.420 nan 0.000 0.245 310 P C -0.024 177.202 177.300 -0.123 0.000 1.206 310 P CA -0.002 63.049 63.100 -0.081 0.000 0.781 310 P CB 0.033 31.676 31.700 -0.095 0.000 0.994 311 I N 1.351 121.844 120.570 -0.127 0.000 2.575 311 I HA 0.164 4.334 4.170 -0.000 0.000 0.285 311 I C 1.022 176.899 176.117 -0.400 0.000 1.085 311 I CA -1.137 59.976 61.300 -0.311 0.000 1.403 311 I CB 0.491 38.238 38.000 -0.422 0.000 1.409 311 I HN -0.145 nan 8.210 nan 0.000 0.557 312 I N 6.409 126.688 120.570 -0.485 0.000 2.336 312 I HA 0.229 4.399 4.170 -0.000 0.000 0.292 312 I C -0.748 175.013 176.117 -0.593 0.000 0.991 312 I CA -0.639 60.423 61.300 -0.397 0.000 1.227 312 I CB 0.896 38.726 38.000 -0.284 0.000 1.366 312 I HN 0.314 nan 8.210 nan 0.000 0.466 313 Y N 4.595 124.762 120.300 -0.221 0.000 2.323 313 Y HA 0.406 4.956 4.550 -0.000 0.000 0.331 313 Y C 0.200 175.861 175.900 -0.397 0.000 1.092 313 Y CA -0.443 57.545 58.100 -0.186 0.000 1.150 313 Y CB 0.880 39.390 38.460 0.083 0.000 1.200 313 Y HN 0.407 nan 8.280 nan 0.000 0.472 314 H N 3.812 122.812 119.070 -0.117 0.000 2.800 314 H HA 0.232 4.788 4.556 -0.000 0.000 0.322 314 H C -1.522 173.686 175.328 -0.200 0.000 0.979 314 H CA -0.815 55.141 56.048 -0.153 0.000 1.277 314 H CB 0.981 30.571 29.762 -0.287 0.000 1.484 314 H HN 0.686 nan 8.280 nan 0.000 0.512 315 Y N 2.453 122.754 120.300 0.002 0.000 2.328 315 Y HA 0.261 4.811 4.550 -0.000 0.000 0.337 315 Y C -0.393 175.403 175.900 -0.174 0.000 1.008 315 Y CA -0.560 57.565 58.100 0.042 0.000 1.129 315 Y CB 0.989 39.621 38.460 0.287 0.000 1.185 315 Y HN 0.483 nan 8.280 nan 0.000 0.476 316 Y N 2.312 122.744 120.300 0.222 0.000 2.524 316 Y HA 0.771 5.321 4.550 -0.000 0.000 0.344 316 Y C -0.165 175.683 175.900 -0.088 0.000 1.012 316 Y CA -1.328 56.840 58.100 0.113 0.000 1.068 316 Y CB 2.200 40.642 38.460 -0.029 0.000 1.249 316 Y HN 0.584 nan 8.280 nan 0.000 0.468 317 R N 0.291 120.905 120.500 0.190 0.000 2.752 317 R HA 0.879 5.219 4.340 -0.000 0.000 0.277 317 R C -1.654 174.871 176.300 0.374 0.000 1.024 317 R CA -1.240 54.930 56.100 0.117 0.000 0.866 317 R CB 0.690 30.941 30.300 -0.082 0.000 1.278 317 R HN 0.689 nan 8.270 nan 0.000 0.473 318 A N 1.015 124.009 122.820 0.291 0.000 2.386 318 A HA 0.512 4.831 4.320 -0.000 0.000 0.246 318 A C -2.087 175.467 177.584 -0.051 0.000 1.089 318 A CA -1.138 50.983 52.037 0.140 0.000 0.790 318 A CB -0.507 18.526 19.000 0.055 0.000 1.042 318 A HN 0.553 nan 8.150 nan 0.000 0.497 319 P HA 0.223 nan 4.420 nan 0.000 0.269 319 P C -0.789 176.445 177.300 -0.110 0.000 1.215 319 P CA 0.200 63.297 63.100 -0.005 0.000 0.780 319 P CB 0.188 31.927 31.700 0.065 0.000 0.898 320 F N 0.378 120.458 119.950 0.217 0.000 2.399 320 F HA 0.134 4.661 4.527 -0.000 0.000 0.342 320 F C 1.626 177.498 175.800 0.120 0.000 1.106 320 F CA 0.032 58.129 58.000 0.161 0.000 1.196 320 F CB 0.552 39.661 39.000 0.182 0.000 1.163 320 F HN 0.089 nan 8.300 nan 0.000 0.547 321 V N 0.202 120.264 119.914 0.247 0.000 3.605 321 V HA 0.408 4.527 4.120 -0.000 0.000 0.284 321 V C 0.105 176.285 176.094 0.143 0.000 1.386 321 V CA 0.022 62.414 62.300 0.154 0.000 1.053 321 V CB -0.453 31.419 31.823 0.081 0.000 0.857 321 V HN 0.848 nan 8.190 nan 0.000 0.436 322 R N -1.387 119.220 120.500 0.178 0.000 2.747 322 R HA 0.512 4.852 4.340 -0.000 0.000 0.272 322 R C -1.702 174.678 176.300 0.133 0.000 1.032 322 R CA -0.865 55.315 56.100 0.133 0.000 0.896 322 R CB 0.182 30.543 30.300 0.103 0.000 1.253 322 R HN 0.008 nan 8.270 nan 0.000 0.461 323 D N 0.935 121.381 120.400 0.078 0.000 2.472 323 D HA 0.091 4.731 4.640 -0.000 0.000 0.237 323 D C -0.812 175.489 176.300 0.002 0.000 1.141 323 D CA 0.972 54.972 54.000 -0.000 0.000 0.875 323 D CB 0.575 41.357 40.800 -0.031 0.000 1.192 323 D HN 0.405 nan 8.370 nan 0.000 0.450 324 D N 1.974 122.291 120.400 -0.138 0.000 2.473 324 D HA 0.158 4.798 4.640 -0.000 0.000 0.253 324 D C 0.057 176.049 176.300 -0.514 0.000 1.233 324 D CA -0.487 53.433 54.000 -0.134 0.000 0.908 324 D CB 0.588 41.453 40.800 0.108 0.000 1.170 324 D HN 0.192 nan 8.370 nan 0.000 0.558 325 L N 2.214 122.694 121.223 -1.238 0.000 2.653 325 L HA 0.304 4.644 4.340 -0.000 0.000 0.231 325 L C 0.428 176.578 176.870 -1.200 0.000 1.153 325 L CA -0.183 53.894 54.840 -1.272 0.000 0.933 325 L CB 0.200 41.387 42.059 -1.454 0.000 1.175 325 L HN 0.410 nan 8.230 nan 0.000 0.473 326 W N 0.643 121.911 121.300 -0.053 0.000 2.075 326 W HA 0.454 5.114 4.660 -0.000 0.000 0.332 326 W C 0.455 176.928 176.519 -0.076 0.000 0.905 326 W CA -0.891 56.427 57.345 -0.046 0.000 2.126 326 W CB -0.010 29.451 29.460 0.002 0.000 1.143 326 W HN -0.048 nan 8.180 nan 0.000 0.542 327 A N 2.123 124.928 122.820 -0.026 0.000 2.440 327 A HA 0.614 4.934 4.320 -0.000 0.000 0.251 327 A C 0.327 177.803 177.584 -0.180 0.000 1.089 327 A CA 0.320 52.315 52.037 -0.070 0.000 0.779 327 A CB 0.492 19.504 19.000 0.021 0.000 1.022 327 A HN 0.114 nan 8.150 nan 0.000 0.492 328 R N 1.207 121.478 120.500 -0.382 0.000 2.532 328 R HA 0.435 4.775 4.340 -0.000 0.000 0.297 328 R C -1.999 173.868 176.300 -0.721 0.000 0.984 328 R CA -0.299 55.584 56.100 -0.362 0.000 0.884 328 R CB 1.278 31.477 30.300 -0.169 0.000 1.182 328 R HN 0.625 nan 8.270 nan 0.000 0.442 329 F N 3.446 123.038 119.950 -0.596 0.000 2.375 329 F HA 0.431 4.958 4.527 -0.000 0.000 0.361 329 F C 0.573 176.072 175.800 -0.501 0.000 1.117 329 F CA -0.641 56.834 58.000 -0.875 0.000 1.037 329 F CB 1.076 38.858 39.000 -2.030 0.000 1.192 329 F HN 0.116 nan 8.300 nan 0.000 0.452 330 L N 4.264 125.469 121.223 -0.030 0.000 2.349 330 L HA 0.608 4.948 4.340 -0.000 0.000 0.275 330 L C -0.386 176.592 176.870 0.179 0.000 1.115 330 L CA -0.749 54.152 54.840 0.101 0.000 0.820 330 L CB 0.964 43.113 42.059 0.151 0.000 1.135 330 L HN 0.272 nan 8.230 nan 0.000 0.445 331 V N 1.598 121.608 119.914 0.160 0.000 2.638 331 V HA 0.227 4.347 4.120 -0.000 0.000 0.306 331 V C -0.009 176.183 176.094 0.164 0.000 1.052 331 V CA -0.588 61.787 62.300 0.125 0.000 0.885 331 V CB 1.983 33.879 31.823 0.121 0.000 0.999 331 V HN 0.788 nan 8.190 nan 0.000 0.424 332 S N 4.813 120.600 115.700 0.144 0.000 2.481 332 S HA 0.501 4.970 4.470 -0.000 0.000 0.276 332 S C -0.378 174.324 174.600 0.169 0.000 1.247 332 S CA -0.326 57.994 58.200 0.199 0.000 1.053 332 S CB -0.194 63.130 63.200 0.206 0.000 0.925 332 S HN 0.617 nan 8.310 nan 0.000 0.491 333 K N 4.069 124.575 120.400 0.178 0.000 2.512 333 K HA 0.525 4.845 4.320 -0.000 0.000 0.263 333 K C -3.041 173.639 176.600 0.133 0.000 0.966 333 K CA -2.343 54.032 56.287 0.146 0.000 0.851 333 K CB 1.089 33.668 32.500 0.132 0.000 1.395 333 K HN 0.259 nan 8.250 nan 0.000 0.440 334 P HA 0.122 nan 4.420 nan 0.000 0.272 334 P C -1.662 175.690 177.300 0.088 0.000 1.230 334 P CA -0.881 62.277 63.100 0.096 0.000 0.788 334 P CB 0.209 31.964 31.700 0.090 0.000 0.949 335 P HA 0.043 nan 4.420 nan 0.000 0.231 335 P C 0.195 177.543 177.300 0.079 0.000 1.168 335 P CA 0.817 63.959 63.100 0.069 0.000 0.779 335 P CB 0.387 32.121 31.700 0.057 0.000 0.844 336 L N 1.181 122.464 121.223 0.100 0.000 2.603 336 L HA 0.342 4.682 4.340 -0.000 0.000 0.242 336 L C -0.252 176.729 176.870 0.185 0.000 1.169 336 L CA -0.344 54.577 54.840 0.134 0.000 1.029 336 L CB -0.137 42.000 42.059 0.131 0.000 1.361 336 L HN -0.326 nan 8.230 nan 0.000 0.439 337 D N 1.528 122.008 120.400 0.134 0.000 2.619 337 D HA -0.019 4.621 4.640 -0.000 0.000 0.224 337 D C 1.381 177.742 176.300 0.101 0.000 1.133 337 D CA 0.216 54.294 54.000 0.129 0.000 1.017 337 D CB 0.804 41.659 40.800 0.092 0.000 1.077 337 D HN 0.299 nan 8.370 nan 0.000 0.503 338 V N 2.867 122.873 119.914 0.155 0.000 2.568 338 V HA -0.200 3.920 4.120 -0.000 0.000 0.253 338 V C 1.932 177.977 176.094 -0.082 0.000 1.072 338 V CA 1.840 64.182 62.300 0.070 0.000 1.084 338 V CB -0.130 31.802 31.823 0.182 0.000 0.676 338 V HN 0.453 nan 8.190 nan 0.000 0.469 339 E N -0.446 119.768 120.200 0.022 0.000 2.204 339 E HA -0.192 4.158 4.350 -0.000 0.000 0.195 339 E C 2.077 178.615 176.600 -0.102 0.000 0.990 339 E CA 1.236 57.626 56.400 -0.017 0.000 0.821 339 E CB -0.182 29.618 29.700 0.167 0.000 0.750 339 E HN 0.674 nan 8.360 nan 0.000 0.477 340 L N 0.445 121.628 121.223 -0.068 0.000 2.261 340 L HA -0.222 4.118 4.340 -0.000 0.000 0.216 340 L C 2.202 178.976 176.870 -0.161 0.000 1.114 340 L CA 0.669 55.459 54.840 -0.083 0.000 0.777 340 L CB -0.370 41.659 42.059 -0.049 0.000 0.910 340 L HN 0.255 nan 8.230 nan 0.000 0.440 341 L N -0.029 121.038 121.223 -0.260 0.000 2.191 341 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 341 L C 1.922 178.580 176.870 -0.354 0.000 1.103 341 L CA 0.894 55.515 54.840 -0.366 0.000 0.769 341 L CB -0.290 41.392 42.059 -0.629 0.000 0.908 341 L HN 0.417 nan 8.230 nan 0.000 0.438 342 I N -4.514 115.831 120.570 -0.375 0.000 3.941 342 I HA 0.064 4.234 4.170 -0.000 0.000 0.335 342 I C 1.585 177.575 176.117 -0.211 0.000 1.402 342 I CA 0.270 61.322 61.300 -0.414 0.000 1.112 342 I CB -0.260 37.340 38.000 -0.666 0.000 1.043 342 I HN -0.084 nan 8.210 nan 0.000 0.395 343 L N 2.152 123.290 121.223 -0.141 0.000 2.046 343 L HA 0.110 4.450 4.340 -0.000 0.000 0.208 343 L C -0.439 176.404 176.870 -0.045 0.000 1.077 343 L CA 2.134 56.928 54.840 -0.076 0.000 0.747 343 L CB -1.483 40.539 42.059 -0.062 0.000 0.896 343 L HN 0.168 nan 8.230 nan 0.000 0.432 344 P HA -0.164 nan 4.420 nan 0.000 0.215 344 P C 1.235 178.548 177.300 0.022 0.000 1.157 344 P CA 1.462 64.560 63.100 -0.004 0.000 0.868 344 P CB 0.077 31.780 31.700 0.005 0.000 0.788 345 E N -0.940 119.286 120.200 0.043 0.000 2.150 345 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 345 E C 2.144 178.779 176.600 0.058 0.000 0.985 345 E CA 0.729 57.182 56.400 0.089 0.000 0.814 345 E CB -0.570 29.251 29.700 0.203 0.000 0.752 345 E HN 0.148 nan 8.360 nan 0.000 0.466 346 R N 0.552 121.063 120.500 0.017 0.000 2.120 346 R HA -0.061 4.279 4.340 -0.000 0.000 0.234 346 R C 1.495 177.801 176.300 0.009 0.000 1.123 346 R CA 0.966 57.073 56.100 0.011 0.000 0.975 346 R CB -0.123 30.167 30.300 -0.017 0.000 0.866 346 R HN 0.216 nan 8.270 nan 0.000 0.446 347 L N 0.885 122.110 121.223 0.004 0.000 2.599 347 L HA 0.135 4.475 4.340 -0.000 0.000 0.230 347 L C 0.352 177.229 176.870 0.013 0.000 1.141 347 L CA -0.224 54.617 54.840 0.002 0.000 0.877 347 L CB 0.259 42.314 42.059 -0.006 0.000 1.009 347 L HN 0.038 nan 8.230 nan 0.000 0.447 348 S N -0.229 115.486 115.700 0.026 0.000 2.632 348 S HA 0.228 4.698 4.470 -0.000 0.000 0.271 348 S C -1.447 173.172 174.600 0.032 0.000 1.260 348 S CA -1.005 57.213 58.200 0.031 0.000 1.010 348 S CB 1.468 64.693 63.200 0.043 0.000 0.965 348 S HN -0.112 nan 8.310 nan 0.000 0.534 349 P HA -0.127 nan 4.420 nan 0.000 0.216 349 P C 1.175 178.496 177.300 0.034 0.000 1.150 349 P CA 1.278 64.394 63.100 0.027 0.000 0.843 349 P CB 0.004 31.718 31.700 0.022 0.000 0.787 350 A N -0.239 122.606 122.820 0.041 0.000 2.070 350 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 350 A C 2.238 179.857 177.584 0.058 0.000 1.159 350 A CA 1.690 53.756 52.037 0.048 0.000 0.656 350 A CB -1.419 17.614 19.000 0.054 0.000 0.800 350 A HN 0.205 nan 8.150 nan 0.000 0.453 351 A N 0.075 122.931 122.820 0.060 0.000 2.019 351 A HA -0.167 4.152 4.320 -0.000 0.000 0.219 351 A C 2.057 179.681 177.584 0.067 0.000 1.164 351 A CA 1.843 53.921 52.037 0.068 0.000 0.644 351 A CB -0.414 18.620 19.000 0.056 0.000 0.805 351 A HN 0.578 nan 8.150 nan 0.000 0.449 352 K N -0.636 119.796 120.400 0.054 0.000 2.283 352 K HA -0.115 4.205 4.320 -0.000 0.000 0.202 352 K C 0.586 177.219 176.600 0.056 0.000 1.048 352 K CA 1.412 57.731 56.287 0.054 0.000 0.948 352 K CB 0.073 32.597 32.500 0.039 0.000 0.742 352 K HN 0.347 nan 8.250 nan 0.000 0.458 353 E N 0.485 120.715 120.200 0.050 0.000 2.583 353 E HA 0.037 4.387 4.350 -0.000 0.000 0.213 353 E C -0.165 176.462 176.600 0.045 0.000 0.989 353 E CA 0.198 56.623 56.400 0.040 0.000 0.991 353 E CB 1.393 31.111 29.700 0.029 0.000 1.040 353 E HN 0.356 nan 8.360 nan 0.000 0.481 354 T N -2.121 112.472 114.554 0.064 0.000 2.903 354 T HA 0.613 4.962 4.350 -0.000 0.000 0.299 354 T C -0.024 174.735 174.700 0.098 0.000 1.093 354 T CA -0.652 61.492 62.100 0.072 0.000 1.002 354 T CB 2.197 71.113 68.868 0.081 0.000 1.127 354 T HN -0.227 nan 8.240 nan 0.000 0.488 355 S N 0.277 116.036 115.700 0.099 0.000 2.654 355 S HA 0.820 5.290 4.470 -0.000 0.000 0.283 355 S C 0.267 174.959 174.600 0.154 0.000 1.180 355 S CA -0.697 57.578 58.200 0.124 0.000 1.021 355 S CB 1.289 64.548 63.200 0.097 0.000 1.018 355 S HN 1.175 nan 8.310 nan 0.000 0.532 356 G N 0.980 109.880 108.800 0.167 0.000 2.590 356 G HA2 0.653 4.613 3.960 -0.000 0.000 0.310 356 G HA3 0.653 4.613 3.960 -0.000 0.000 0.310 356 G C -1.510 173.482 174.900 0.154 0.000 1.347 356 G CA -0.447 44.773 45.100 0.200 0.000 0.963 356 G HN 0.445 nan 8.290 nan 0.000 0.494 357 L N 1.208 122.516 121.223 0.142 0.000 2.333 357 L HA 0.705 5.045 4.340 -0.000 0.000 0.263 357 L C -0.703 176.123 176.870 -0.072 0.000 1.014 357 L CA -1.092 53.764 54.840 0.027 0.000 0.820 357 L CB 2.403 44.457 42.059 -0.008 0.000 1.352 357 L HN 0.465 nan 8.230 nan 0.000 0.421 358 L N 2.610 123.673 121.223 -0.266 0.000 2.372 358 L HA 0.625 4.965 4.340 -0.000 0.000 0.274 358 L C -1.535 175.056 176.870 -0.466 0.000 0.988 358 L CA -0.195 54.299 54.840 -0.577 0.000 0.833 358 L CB 1.285 42.800 42.059 -0.906 0.000 1.236 358 L HN 0.404 nan 8.230 nan 0.000 0.410 359 L N 6.429 127.395 121.223 -0.428 0.000 2.296 359 L HA 0.576 4.916 4.340 -0.000 0.000 0.286 359 L C -0.519 176.112 176.870 -0.399 0.000 1.023 359 L CA -0.434 54.134 54.840 -0.453 0.000 0.812 359 L CB 1.513 43.395 42.059 -0.295 0.000 1.223 359 L HN 0.557 nan 8.230 nan 0.000 0.421 360 I N 3.641 123.935 120.570 -0.460 0.000 2.474 360 I HA 0.546 4.716 4.170 -0.000 0.000 0.294 360 I C -0.301 175.623 176.117 -0.322 0.000 1.005 360 I CA -0.607 60.463 61.300 -0.384 0.000 1.113 360 I CB 2.208 39.927 38.000 -0.468 0.000 1.289 360 I HN 0.599 nan 8.210 nan 0.000 0.436 361 R N 4.501 124.863 120.500 -0.231 0.000 2.522 361 R HA 0.337 4.677 4.340 -0.000 0.000 0.283 361 R C -1.660 174.559 176.300 -0.135 0.000 1.074 361 R CA -0.641 55.371 56.100 -0.147 0.000 0.925 361 R CB 1.343 31.710 30.300 0.111 0.000 1.205 361 R HN 0.436 nan 8.270 nan 0.000 0.436 362 Y N 3.818 124.113 120.300 -0.009 0.000 2.830 362 Y HA 0.270 4.820 4.550 -0.000 0.000 0.371 362 Y C -0.018 175.862 175.900 -0.034 0.000 1.246 362 Y CA -0.199 57.875 58.100 -0.043 0.000 1.890 362 Y CB -0.055 38.356 38.460 -0.081 0.000 1.995 362 Y HN 0.341 nan 8.280 nan 0.000 0.430 363 K N 0.716 121.193 120.400 0.128 0.000 2.545 363 K HA 0.161 4.481 4.320 -0.000 0.000 0.291 363 K C -1.316 175.338 176.600 0.089 0.000 1.093 363 K CA -0.477 55.863 56.287 0.088 0.000 1.012 363 K CB 0.771 33.310 32.500 0.065 0.000 1.354 363 K HN 0.093 nan 8.250 nan 0.000 0.460 364 E N 3.256 123.524 120.200 0.113 0.000 2.568 364 E HA -0.052 4.297 4.350 -0.000 0.000 0.262 364 E C -0.253 176.395 176.600 0.080 0.000 0.961 364 E CA 0.970 57.444 56.400 0.123 0.000 0.945 364 E CB 0.362 30.156 29.700 0.157 0.000 0.924 364 E HN 0.398 nan 8.360 nan 0.000 0.467 365 M N 3.630 123.276 119.600 0.076 0.000 2.108 365 M HA 0.327 4.807 4.480 -0.000 0.000 0.354 365 M C -0.471 175.856 176.300 0.044 0.000 1.229 365 M CA 0.023 55.346 55.300 0.038 0.000 1.081 365 M CB 0.580 33.206 32.600 0.043 0.000 1.606 365 M HN 0.297 nan 8.290 nan 0.000 0.467 366 I N 1.884 122.470 120.570 0.027 0.000 2.418 366 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 366 I C 0.800 176.931 176.117 0.023 0.000 1.008 366 I CA -0.299 61.022 61.300 0.035 0.000 1.104 366 I CB 2.030 40.051 38.000 0.036 0.000 1.264 366 I HN 0.882 nan 8.210 nan 0.000 0.438 367 G N 4.398 113.215 108.800 0.028 0.000 3.159 367 G HA2 0.054 4.014 3.960 -0.000 0.000 0.232 367 G HA3 0.054 4.014 3.960 -0.000 0.000 0.232 367 G C 0.269 175.198 174.900 0.049 0.000 1.116 367 G CA -0.044 45.070 45.100 0.023 0.000 0.767 367 G HN 0.631 nan 8.290 nan 0.000 0.547 368 E N 0.317 120.550 120.200 0.056 0.000 2.151 368 E HA 0.381 4.731 4.350 -0.000 0.000 0.275 368 E C -1.366 175.282 176.600 0.080 0.000 0.936 368 E CA -1.071 55.371 56.400 0.071 0.000 0.777 368 E CB 1.030 30.761 29.700 0.052 0.000 1.108 368 E HN 0.111 nan 8.360 nan 0.000 0.401 369 Y N 4.226 124.538 120.300 0.020 0.000 2.335 369 Y HA 0.233 4.783 4.550 -0.000 0.000 0.331 369 Y C -0.671 175.245 175.900 0.026 0.000 1.094 369 Y CA 0.151 58.263 58.100 0.021 0.000 1.253 369 Y CB 0.946 39.415 38.460 0.016 0.000 1.203 369 Y HN 0.506 nan 8.280 nan 0.000 0.508 370 D N 5.412 125.324 120.400 -0.814 0.000 2.936 370 D HA 0.063 4.703 4.640 -0.000 0.000 0.238 370 D C 0.379 176.202 176.300 -0.796 0.000 1.248 370 D CA -0.300 53.367 54.000 -0.555 0.000 0.903 370 D CB 1.814 42.479 40.800 -0.225 0.000 1.544 370 D HN 0.761 nan 8.370 nan 0.000 0.543 371 E N 2.617 122.539 120.200 -0.463 0.000 2.171 371 E HA -0.196 4.154 4.350 -0.000 0.000 0.197 371 E C 0.955 177.477 176.600 -0.130 0.000 0.997 371 E CA 1.324 57.603 56.400 -0.200 0.000 0.810 371 E CB 0.369 30.095 29.700 0.044 0.000 0.738 371 E HN 0.636 nan 8.360 nan 0.000 0.467 372 E N -0.360 119.771 120.200 -0.114 0.000 2.106 372 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 372 E C 2.061 178.635 176.600 -0.043 0.000 0.984 372 E CA 0.723 57.096 56.400 -0.046 0.000 0.806 372 E CB 0.051 29.738 29.700 -0.022 0.000 0.750 372 E HN 0.244 nan 8.360 nan 0.000 0.458 373 I N -0.497 120.011 120.570 -0.103 0.000 2.333 373 I HA -0.035 4.135 4.170 -0.000 0.000 0.246 373 I C 1.954 178.030 176.117 -0.068 0.000 1.106 373 I CA 1.466 62.724 61.300 -0.069 0.000 1.411 373 I CB -1.077 36.871 38.000 -0.086 0.000 1.082 373 I HN 0.313 nan 8.210 nan 0.000 0.420 374 G N 0.438 109.142 108.800 -0.160 0.000 2.175 374 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.244 374 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.244 374 G C 0.582 175.558 174.900 0.127 0.000 0.982 374 G CA 0.189 45.277 45.100 -0.020 0.000 0.641 374 G HN 0.926 nan 8.290 nan 0.000 0.527 375 G N -2.166 106.679 108.800 0.075 0.000 2.338 375 G HA2 0.699 4.659 3.960 -0.000 0.000 0.295 375 G HA3 0.699 4.659 3.960 -0.000 0.000 0.295 375 G C -0.805 174.169 174.900 0.124 0.000 1.461 375 G CA 0.435 45.651 45.100 0.195 0.000 0.817 375 G HN 1.747 nan 8.290 nan 0.000 0.556 376 V N -1.929 118.063 119.914 0.131 0.000 2.864 376 V HA 0.786 4.906 4.120 -0.000 0.000 0.314 376 V C -0.635 175.471 176.094 0.021 0.000 1.073 376 V CA -1.205 61.140 62.300 0.074 0.000 0.956 376 V CB 2.056 33.934 31.823 0.091 0.000 1.023 376 V HN 0.678 nan 8.190 nan 0.000 0.435 377 D N 1.554 121.947 120.400 -0.012 0.000 2.348 377 D HA 0.464 5.104 4.640 -0.000 0.000 0.249 377 D C -0.533 175.718 176.300 -0.081 0.000 1.110 377 D CA -0.125 53.841 54.000 -0.056 0.000 0.967 377 D CB 1.803 42.556 40.800 -0.078 0.000 1.139 377 D HN 0.767 nan 8.370 nan 0.000 0.466 378 E N 0.193 120.319 120.200 -0.123 0.000 2.224 378 E HA 0.432 4.782 4.350 -0.000 0.000 0.265 378 E C -1.197 175.216 176.600 -0.312 0.000 0.878 378 E CA -0.733 55.522 56.400 -0.242 0.000 0.759 378 E CB 2.460 32.066 29.700 -0.158 0.000 1.164 378 E HN 0.025 nan 8.360 nan 0.000 0.414 379 V N 3.873 123.550 119.914 -0.396 0.000 2.409 379 V HA 0.287 4.407 4.120 -0.000 0.000 0.290 379 V C -1.287 174.623 176.094 -0.306 0.000 1.017 379 V CA -0.815 61.346 62.300 -0.233 0.000 0.841 379 V CB 0.374 32.154 31.823 -0.072 0.000 1.003 379 V HN 0.599 nan 8.190 nan 0.000 0.426 380 Y N 3.322 123.644 120.300 0.037 0.000 2.328 380 Y HA 0.628 5.178 4.550 -0.000 0.000 0.337 380 Y C 0.141 176.081 175.900 0.067 0.000 1.008 380 Y CA -0.740 57.384 58.100 0.039 0.000 1.129 380 Y CB 1.956 40.426 38.460 0.018 0.000 1.185 380 Y HN 0.361 nan 8.280 nan 0.000 0.476 381 V N 4.189 124.211 119.914 0.179 0.000 2.409 381 V HA 0.228 4.348 4.120 -0.000 0.000 0.291 381 V C -0.360 175.801 176.094 0.111 0.000 1.020 381 V CA -1.337 61.039 62.300 0.126 0.000 0.848 381 V CB 1.258 33.129 31.823 0.080 0.000 0.990 381 V HN 0.906 nan 8.190 nan 0.000 0.430 382 N N 4.202 122.953 118.700 0.085 0.000 2.714 382 N HA -0.219 4.521 4.740 -0.000 0.000 0.252 382 N C 1.238 176.786 175.510 0.065 0.000 1.014 382 N CA 1.539 54.620 53.050 0.052 0.000 0.735 382 N CB -0.977 37.528 38.487 0.031 0.000 0.924 382 N HN 1.505 nan 8.380 nan 0.000 0.540 383 G N -2.960 105.898 108.800 0.096 0.000 2.168 383 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.263 383 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.263 383 G C 0.037 175.080 174.900 0.239 0.000 0.977 383 G CA 0.481 45.636 45.100 0.093 0.000 0.659 383 G HN 0.521 nan 8.290 nan 0.000 0.533 384 V N 0.923 120.981 119.914 0.240 0.000 2.398 384 V HA 0.500 4.620 4.120 -0.000 0.000 0.286 384 V C 0.326 176.486 176.094 0.109 0.000 1.026 384 V CA -1.041 61.367 62.300 0.178 0.000 0.868 384 V CB 1.707 33.578 31.823 0.080 0.000 0.982 384 V HN 0.376 nan 8.190 nan 0.000 0.443 385 N N 3.829 122.512 118.700 -0.028 0.000 2.420 385 N HA 0.126 4.866 4.740 -0.000 0.000 0.262 385 N C 0.540 175.951 175.510 -0.166 0.000 1.144 385 N CA -0.140 52.686 53.050 -0.373 0.000 0.952 385 N CB 1.683 39.889 38.487 -0.469 0.000 1.081 385 N HN 0.526 nan 8.380 nan 0.000 0.480 386 V N 1.075 120.903 119.914 -0.144 0.000 3.621 386 V HA 0.225 4.345 4.120 -0.000 0.000 0.285 386 V C 0.996 177.051 176.094 -0.064 0.000 1.346 386 V CA -0.301 61.958 62.300 -0.068 0.000 1.104 386 V CB -0.630 31.178 31.823 -0.026 0.000 0.913 386 V HN 0.670 nan 8.190 nan 0.000 0.432 387 C N 4.122 123.358 119.300 -0.107 0.000 2.484 387 C HA 0.605 5.065 4.460 -0.000 0.000 0.494 387 C C 1.228 176.184 174.990 -0.058 0.000 1.052 387 C CA 0.312 59.288 59.018 -0.071 0.000 1.307 387 C CB -2.176 25.507 27.740 -0.095 0.000 1.464 387 C HN 0.790 nan 8.230 nan 0.000 0.564 388 T N -0.724 113.811 114.554 -0.031 0.000 2.897 388 T HA 0.272 4.622 4.350 -0.000 0.000 0.278 388 T C 1.056 175.762 174.700 0.010 0.000 0.981 388 T CA -0.268 61.823 62.100 -0.014 0.000 0.973 388 T CB 1.092 69.954 68.868 -0.010 0.000 1.092 388 T HN 0.635 nan 8.240 nan 0.000 0.543 389 E N 0.020 120.232 120.200 0.020 0.000 2.153 389 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 389 E C 2.152 178.772 176.600 0.034 0.000 0.988 389 E CA 0.928 57.348 56.400 0.034 0.000 0.811 389 E CB 0.017 29.742 29.700 0.041 0.000 0.746 389 E HN 0.628 nan 8.360 nan 0.000 0.466 390 R N -0.265 120.252 120.500 0.028 0.000 2.100 390 R HA 0.089 4.429 4.340 -0.000 0.000 0.220 390 R C 2.307 178.629 176.300 0.036 0.000 1.091 390 R CA 1.104 57.223 56.100 0.031 0.000 0.986 390 R CB 0.034 30.349 30.300 0.025 0.000 0.888 390 R HN 0.277 nan 8.270 nan 0.000 0.444 391 I N -0.655 119.933 120.570 0.030 0.000 2.585 391 I HA -0.110 4.060 4.170 -0.000 0.000 0.254 391 I C 0.576 176.721 176.117 0.047 0.000 1.129 391 I CA 0.514 61.836 61.300 0.036 0.000 1.455 391 I CB 0.436 38.448 38.000 0.019 0.000 1.111 391 I HN 0.095 nan 8.210 nan 0.000 0.433 392 C N 2.944 122.269 119.300 0.041 0.000 3.094 392 C HA 0.365 4.825 4.460 -0.000 0.000 0.262 392 C C -2.110 172.913 174.990 0.055 0.000 1.459 392 C CA -1.423 57.626 59.018 0.051 0.000 1.570 392 C CB -0.902 26.861 27.740 0.039 0.000 2.056 392 C HN 0.181 nan 8.230 nan 0.000 0.499 393 P HA 0.231 nan 4.420 nan 0.000 0.274 393 P C 0.912 178.255 177.300 0.071 0.000 1.237 393 P CA 0.102 63.238 63.100 0.060 0.000 0.793 393 P CB 1.238 32.974 31.700 0.059 0.000 0.977 394 I N 1.205 121.814 120.570 0.064 0.000 2.264 394 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 394 I C 2.366 178.543 176.117 0.099 0.000 1.111 394 I CA 1.836 63.182 61.300 0.077 0.000 1.382 394 I CB -0.680 37.354 38.000 0.056 0.000 1.060 394 I HN 0.506 nan 8.210 nan 0.000 0.418 395 E N 0.850 121.102 120.200 0.087 0.000 2.338 395 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 395 E C 1.920 178.587 176.600 0.111 0.000 1.007 395 E CA 0.623 57.081 56.400 0.096 0.000 0.849 395 E CB -0.168 29.577 29.700 0.075 0.000 0.774 395 E HN 0.435 nan 8.360 nan 0.000 0.506 396 R N 0.491 121.056 120.500 0.109 0.000 2.276 396 R HA 0.179 4.519 4.340 -0.000 0.000 0.196 396 R C 0.736 177.122 176.300 0.142 0.000 0.961 396 R CA 0.665 56.831 56.100 0.110 0.000 1.024 396 R CB -0.025 30.339 30.300 0.106 0.000 0.940 396 R HN 0.255 nan 8.270 nan 0.000 0.480 397 A N 1.335 124.265 122.820 0.184 0.000 2.415 397 A HA -0.145 4.175 4.320 -0.000 0.000 0.292 397 A C 0.288 178.055 177.584 0.306 0.000 1.452 397 A CA 0.449 52.653 52.037 0.277 0.000 0.750 397 A CB -1.933 17.311 19.000 0.405 0.000 1.099 397 A HN 0.048 nan 8.150 nan 0.000 0.391 398 V N 1.333 121.371 119.914 0.208 0.000 2.421 398 V HA 0.071 4.191 4.120 -0.000 0.000 0.271 398 V C 1.275 177.473 176.094 0.174 0.000 1.031 398 V CA 1.088 63.501 62.300 0.187 0.000 1.032 398 V CB 0.557 32.453 31.823 0.122 0.000 1.009 398 V HN 0.708 nan 8.190 nan 0.000 0.477 399 N N 2.709 121.530 118.700 0.202 0.000 2.348 399 N HA 0.224 4.964 4.740 -0.000 0.000 0.183 399 N C 0.671 176.201 175.510 0.034 0.000 1.094 399 N CA 0.580 53.712 53.050 0.138 0.000 0.885 399 N CB 0.859 39.458 38.487 0.186 0.000 1.065 399 N HN 0.750 nan 8.380 nan 0.000 0.472 400 G N 0.341 109.162 108.800 0.036 0.000 2.702 400 G HA2 0.539 4.499 3.960 -0.000 0.000 0.295 400 G HA3 0.539 4.499 3.960 -0.000 0.000 0.295 400 G C -1.800 173.019 174.900 -0.135 0.000 1.446 400 G CA -0.301 44.720 45.100 -0.133 0.000 0.983 400 G HN 0.052 nan 8.290 nan 0.000 0.520 401 L N 2.788 123.883 121.223 -0.213 0.000 2.316 401 L HA 0.716 5.056 4.340 -0.000 0.000 0.280 401 L C -1.179 175.563 176.870 -0.214 0.000 1.006 401 L CA -1.359 53.408 54.840 -0.122 0.000 0.836 401 L CB 0.625 42.665 42.059 -0.032 0.000 1.221 401 L HN 0.506 nan 8.230 nan 0.000 0.418 402 W N 5.142 126.358 121.300 -0.139 0.000 2.316 402 W HA 0.571 5.231 4.660 -0.000 0.000 0.311 402 W C -0.437 176.152 176.519 0.117 0.000 1.217 402 W CA -0.402 56.917 57.345 -0.044 0.000 1.199 402 W CB 1.225 30.588 29.460 -0.161 0.000 1.202 402 W HN 0.210 nan 8.180 nan 0.000 0.528 403 V N 6.492 126.615 119.914 0.348 0.000 2.376 403 V HA 0.567 4.687 4.120 -0.000 0.000 0.287 403 V C -0.507 175.826 176.094 0.399 0.000 1.015 403 V CA -0.796 61.657 62.300 0.255 0.000 0.834 403 V CB -0.095 31.794 31.823 0.110 0.000 1.001 403 V HN 0.374 nan 8.190 nan 0.000 0.428 404 F N 1.287 121.299 119.950 0.103 0.000 2.779 404 F HA 0.630 5.157 4.527 -0.000 0.000 0.316 404 F C -0.830 175.018 175.800 0.080 0.000 1.164 404 F CA -1.608 56.453 58.000 0.101 0.000 0.924 404 F CB 1.302 40.383 39.000 0.136 0.000 1.348 404 F HN 0.317 nan 8.300 nan 0.000 0.467 405 D N 2.200 122.675 120.400 0.126 0.000 2.470 405 D HA 0.101 4.741 4.640 -0.000 0.000 0.226 405 D C 0.025 176.320 176.300 -0.009 0.000 1.196 405 D CA -0.140 53.857 54.000 -0.005 0.000 0.979 405 D CB 0.229 41.072 40.800 0.071 0.000 1.059 405 D HN 0.651 nan 8.370 nan 0.000 0.515 406 R N 2.323 122.612 120.500 -0.351 0.000 2.538 406 R HA 0.212 4.552 4.340 -0.000 0.000 0.282 406 R C 1.061 177.360 176.300 -0.003 0.000 1.009 406 R CA 1.237 57.216 56.100 -0.202 0.000 1.063 406 R CB -0.067 30.012 30.300 -0.367 0.000 0.945 406 R HN 0.665 nan 8.270 nan 0.000 0.414 407 G N 2.882 111.737 108.800 0.091 0.000 2.225 407 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.254 407 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.254 407 G C 0.597 175.537 174.900 0.066 0.000 0.988 407 G CA 0.523 45.661 45.100 0.063 0.000 0.625 407 G HN 1.673 nan 8.290 nan 0.000 0.527 408 A N -0.290 122.583 122.820 0.088 0.000 2.783 408 A HA -0.088 4.232 4.320 -0.000 0.000 0.292 408 A C 1.296 178.910 177.584 0.049 0.000 1.495 408 A CA 2.337 54.422 52.037 0.080 0.000 0.787 408 A CB -1.787 17.261 19.000 0.081 0.000 1.017 408 A HN 2.015 nan 8.150 nan 0.000 0.516 409 D N -1.853 118.568 120.400 0.035 0.000 2.369 409 D HA 0.390 5.030 4.640 -0.000 0.000 0.211 409 D C 1.313 177.624 176.300 0.017 0.000 1.077 409 D CA 0.761 54.775 54.000 0.023 0.000 0.842 409 D CB -0.605 40.204 40.800 0.016 0.000 0.947 409 D HN 1.707 nan 8.370 nan 0.000 0.509 410 G N 0.308 109.120 108.800 0.020 0.000 2.153 410 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.252 410 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.252 410 G C -0.042 174.862 174.900 0.007 0.000 0.994 410 G CA 0.314 45.423 45.100 0.016 0.000 0.698 410 G HN 0.470 nan 8.290 nan 0.000 0.521 411 K N 0.248 120.649 120.400 0.001 0.000 2.397 411 K HA 0.581 4.901 4.320 -0.000 0.000 0.253 411 K C -0.434 176.156 176.600 -0.018 0.000 0.932 411 K CA -0.558 55.726 56.287 -0.006 0.000 0.795 411 K CB 1.835 34.332 32.500 -0.005 0.000 1.159 411 K HN 0.083 nan 8.250 nan 0.000 0.424 412 S N 1.663 117.353 115.700 -0.017 0.000 2.457 412 S HA 0.171 4.641 4.470 -0.000 0.000 0.289 412 S C -0.734 173.851 174.600 -0.026 0.000 1.163 412 S CA -0.498 57.686 58.200 -0.028 0.000 1.078 412 S CB 0.655 63.845 63.200 -0.017 0.000 0.987 412 S HN 0.517 nan 8.310 nan 0.000 0.482 413 D N 3.186 123.563 120.400 -0.038 0.000 2.468 413 D HA 0.242 4.882 4.640 -0.000 0.000 0.272 413 D C 0.796 177.077 176.300 -0.032 0.000 1.221 413 D CA -0.333 53.650 54.000 -0.028 0.000 0.860 413 D CB 0.086 40.870 40.800 -0.026 0.000 1.190 413 D HN 0.377 nan 8.370 nan 0.000 0.509 414 L N 0.562 121.769 121.223 -0.026 0.000 2.191 414 L HA -0.088 4.252 4.340 -0.000 0.000 0.212 414 L C 1.179 178.041 176.870 -0.012 0.000 1.103 414 L CA 0.878 55.704 54.840 -0.024 0.000 0.769 414 L CB 0.067 42.115 42.059 -0.017 0.000 0.908 414 L HN 0.205 nan 8.230 nan 0.000 0.438 415 D N -0.024 120.372 120.400 -0.007 0.000 2.348 415 D HA -0.085 4.555 4.640 -0.000 0.000 0.216 415 D C 1.095 177.397 176.300 0.004 0.000 0.970 415 D CA 0.588 54.589 54.000 0.001 0.000 0.889 415 D CB -0.007 40.795 40.800 0.003 0.000 0.912 415 D HN 0.204 nan 8.370 nan 0.000 0.524 416 R N 1.583 122.083 120.500 -0.001 0.000 2.215 416 R HA 0.146 4.486 4.340 -0.000 0.000 0.336 416 R C -0.082 176.222 176.300 0.007 0.000 0.996 416 R CA -0.473 55.629 56.100 0.004 0.000 0.847 416 R CB 0.829 31.128 30.300 -0.001 0.000 1.127 416 R HN -0.154 nan 8.270 nan 0.000 0.465 417 E N 2.739 122.953 120.200 0.023 0.000 2.467 417 E HA -0.046 4.304 4.350 -0.000 0.000 0.264 417 E C -0.838 175.794 176.600 0.053 0.000 1.020 417 E CA 0.013 56.438 56.400 0.042 0.000 0.945 417 E CB 0.758 30.490 29.700 0.052 0.000 0.942 417 E HN 0.386 nan 8.360 nan 0.000 0.449 418 V N 7.005 126.972 119.914 0.089 0.000 2.258 418 V HA -0.027 4.093 4.120 -0.000 0.000 0.258 418 V C 1.216 177.419 176.094 0.181 0.000 1.121 418 V CA 0.014 62.398 62.300 0.140 0.000 0.942 418 V CB 0.620 32.569 31.823 0.210 0.000 1.170 418 V HN 0.745 nan 8.190 nan 0.000 0.487 419 V N 6.831 126.808 119.914 0.105 0.000 2.453 419 V HA -0.260 3.860 4.120 -0.000 0.000 0.252 419 V C 2.634 178.757 176.094 0.047 0.000 1.068 419 V CA 2.745 65.090 62.300 0.075 0.000 1.070 419 V CB -0.419 31.429 31.823 0.042 0.000 0.664 419 V HN 0.990 nan 8.190 nan 0.000 0.461 420 R N -1.463 119.036 120.500 -0.000 0.000 2.241 420 R HA -0.173 4.167 4.340 -0.000 0.000 0.224 420 R C 1.675 177.812 176.300 -0.271 0.000 1.101 420 R CA 2.250 58.252 56.100 -0.163 0.000 0.995 420 R CB -0.702 29.433 30.300 -0.276 0.000 0.870 420 R HN 0.615 nan 8.270 nan 0.000 0.463 421 Y N 0.722 121.038 120.300 0.027 0.000 2.458 421 Y HA 0.274 4.824 4.550 -0.000 0.000 0.256 421 Y C 2.116 178.052 175.900 0.060 0.000 1.159 421 Y CA 0.033 58.155 58.100 0.037 0.000 1.261 421 Y CB 0.751 39.252 38.460 0.069 0.000 1.119 421 Y HN 0.052 nan 8.280 nan 0.000 0.524 422 S N 0.596 116.392 115.700 0.160 0.000 2.402 422 S HA -0.217 4.253 4.470 -0.000 0.000 0.233 422 S C 1.827 176.491 174.600 0.106 0.000 1.030 422 S CA 1.522 59.796 58.200 0.124 0.000 1.003 422 S CB -0.207 63.043 63.200 0.083 0.000 0.813 422 S HN 0.578 nan 8.310 nan 0.000 0.477 423 I N 0.600 121.223 120.570 0.089 0.000 3.883 423 I HA 0.129 4.299 4.170 -0.000 0.000 0.326 423 I C -0.468 175.711 176.117 0.104 0.000 1.283 423 I CA 0.067 61.416 61.300 0.082 0.000 1.161 423 I CB 0.112 38.145 38.000 0.056 0.000 1.012 423 I HN 0.158 nan 8.210 nan 0.000 0.421 424 M N 3.136 122.820 119.600 0.140 0.000 2.184 424 M HA 0.292 4.772 4.480 -0.000 0.000 0.351 424 M C -2.316 174.064 176.300 0.133 0.000 1.395 424 M CA -2.052 53.356 55.300 0.180 0.000 1.117 424 M CB -0.523 32.245 32.600 0.280 0.000 1.708 424 M HN -0.177 nan 8.290 nan 0.000 0.468 425 P HA 0.075 nan 4.420 nan 0.000 0.265 425 P C -0.273 176.907 177.300 -0.200 0.000 1.193 425 P CA 0.053 62.939 63.100 -0.358 0.000 0.765 425 P CB 0.104 31.452 31.700 -0.588 0.000 0.823 426 F N -1.668 118.306 119.950 0.041 0.000 3.006 426 F HA -0.251 4.276 4.527 -0.000 0.000 0.289 426 F C 0.418 176.300 175.800 0.137 0.000 0.772 426 F CA 0.893 58.943 58.000 0.083 0.000 1.162 426 F CB -2.449 36.600 39.000 0.081 0.000 1.382 426 F HN 0.297 nan 8.300 nan 0.000 0.406 427 M N -1.160 118.598 119.600 0.264 0.000 2.619 427 M HA 0.648 5.128 4.480 -0.000 0.000 0.297 427 M C 0.139 176.562 176.300 0.205 0.000 1.229 427 M CA -0.578 54.879 55.300 0.263 0.000 0.860 427 M CB 2.668 35.505 32.600 0.396 0.000 1.741 427 M HN 0.014 nan 8.290 nan 0.000 0.462 428 S N 0.201 115.987 115.700 0.144 0.000 2.776 428 S HA 0.982 5.452 4.470 -0.000 0.000 0.292 428 S C -2.065 172.534 174.600 -0.001 0.000 1.187 428 S CA -0.433 57.824 58.200 0.095 0.000 0.834 428 S CB 2.039 65.296 63.200 0.095 0.000 1.199 428 S HN 0.868 nan 8.310 nan 0.000 0.514 429 A N 0.209 123.038 122.820 0.015 0.000 2.594 429 A HA 0.899 5.219 4.320 -0.000 0.000 0.295 429 A C -1.190 176.411 177.584 0.028 0.000 1.071 429 A CA -0.158 51.898 52.037 0.031 0.000 0.685 429 A CB 1.281 20.307 19.000 0.042 0.000 1.285 429 A HN 1.526 nan 8.150 nan 0.000 0.405 430 A N 0.879 123.698 122.820 -0.001 0.000 2.343 430 A HA 0.646 4.966 4.320 -0.000 0.000 0.308 430 A C -1.148 176.332 177.584 -0.174 0.000 1.092 430 A CA -0.387 51.617 52.037 -0.055 0.000 0.751 430 A CB 1.052 20.043 19.000 -0.016 0.000 1.203 430 A HN 0.794 nan 8.150 nan 0.000 0.452 431 D N 2.318 122.601 120.400 -0.195 0.000 2.453 431 D HA 0.408 5.048 4.640 -0.000 0.000 0.223 431 D C -1.014 175.201 176.300 -0.141 0.000 1.183 431 D CA 0.308 54.150 54.000 -0.264 0.000 0.933 431 D CB 0.151 40.828 40.800 -0.205 0.000 1.038 431 D HN 0.336 nan 8.370 nan 0.000 0.513 432 L N 4.450 125.603 121.223 -0.116 0.000 2.438 432 L HA 0.436 4.776 4.340 -0.000 0.000 0.270 432 L C -1.286 175.576 176.870 -0.014 0.000 0.972 432 L CA -0.877 53.937 54.840 -0.043 0.000 0.831 432 L CB 2.103 44.154 42.059 -0.013 0.000 1.273 432 L HN 0.036 nan 8.230 nan 0.000 0.405 433 V N 5.817 125.730 119.914 -0.002 0.000 2.470 433 V HA 0.280 4.400 4.120 -0.000 0.000 0.276 433 V C -0.152 175.959 176.094 0.027 0.000 1.040 433 V CA -0.260 62.050 62.300 0.018 0.000 1.008 433 V CB 1.154 32.985 31.823 0.013 0.000 0.990 433 V HN 0.526 nan 8.190 nan 0.000 0.477 434 V N 8.157 128.096 119.914 0.043 0.000 2.284 434 V HA 0.294 4.414 4.120 -0.000 0.000 0.274 434 V C -2.338 173.775 176.094 0.032 0.000 1.023 434 V CA -2.009 60.313 62.300 0.037 0.000 0.808 434 V CB 1.398 33.252 31.823 0.051 0.000 1.035 434 V HN 0.736 nan 8.190 nan 0.000 0.445 435 P HA 0.050 nan 4.420 nan 0.000 0.261 435 P C 0.199 177.497 177.300 -0.005 0.000 1.183 435 P CA 0.225 63.329 63.100 0.007 0.000 0.761 435 P CB 0.620 32.317 31.700 -0.005 0.000 0.785 436 A N 2.904 125.726 122.820 0.004 0.000 3.074 436 A HA 0.211 4.531 4.320 -0.000 0.000 0.251 436 A C 0.407 177.963 177.584 -0.046 0.000 1.695 436 A CA 0.286 52.317 52.037 -0.010 0.000 1.343 436 A CB -1.066 17.953 19.000 0.033 0.000 1.078 436 A HN 0.480 nan 8.150 nan 0.000 0.644 437 E N -0.132 120.031 120.200 -0.063 0.000 2.275 437 E HA 0.543 4.893 4.350 -0.000 0.000 0.270 437 E C 0.764 177.302 176.600 -0.104 0.000 0.882 437 E CA 0.352 56.706 56.400 -0.077 0.000 0.758 437 E CB 1.151 30.822 29.700 -0.049 0.000 1.195 437 E HN 1.001 nan 8.360 nan 0.000 0.419 438 G N 3.231 111.951 108.800 -0.133 0.000 2.565 438 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.295 438 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.295 438 G C 0.195 174.983 174.900 -0.187 0.000 1.165 438 G CA 0.667 45.681 45.100 -0.145 0.000 0.977 438 G HN 1.309 nan 8.290 nan 0.000 0.546 439 T N -1.587 112.878 114.554 -0.147 0.000 2.888 439 T HA 0.765 5.115 4.350 -0.000 0.000 0.288 439 T C -0.226 174.407 174.700 -0.113 0.000 1.063 439 T CA -0.430 61.575 62.100 -0.159 0.000 1.010 439 T CB 2.252 71.040 68.868 -0.133 0.000 1.214 439 T HN 1.019 nan 8.240 nan 0.000 0.533 440 I N 1.251 121.755 120.570 -0.109 0.000 2.509 440 I HA 0.499 4.669 4.170 -0.000 0.000 0.293 440 I C -0.108 175.987 176.117 -0.037 0.000 1.020 440 I CA -0.933 60.331 61.300 -0.061 0.000 1.088 440 I CB 2.227 40.195 38.000 -0.054 0.000 1.267 440 I HN 0.706 nan 8.210 nan 0.000 0.430 441 S N 6.645 122.344 115.700 -0.000 0.000 2.442 441 S HA 0.756 5.226 4.470 -0.000 0.000 0.297 441 S C -0.807 173.845 174.600 0.087 0.000 1.131 441 S CA -0.339 57.880 58.200 0.030 0.000 1.092 441 S CB 0.393 63.602 63.200 0.016 0.000 0.998 441 S HN 0.423 nan 8.310 nan 0.000 0.478 442 I N 3.655 124.315 120.570 0.150 0.000 2.499 442 I HA 0.690 4.860 4.170 -0.000 0.000 0.288 442 I C -0.362 175.960 176.117 0.342 0.000 1.048 442 I CA -0.356 61.090 61.300 0.243 0.000 1.062 442 I CB 2.026 40.158 38.000 0.221 0.000 1.238 442 I HN 0.758 nan 8.210 nan 0.000 0.426 443 A N 5.043 128.056 122.820 0.322 0.000 2.455 443 A HA 0.812 5.132 4.320 -0.000 0.000 0.300 443 A C -1.664 175.990 177.584 0.117 0.000 1.040 443 A CA -0.676 51.502 52.037 0.234 0.000 0.697 443 A CB 2.071 21.156 19.000 0.141 0.000 1.265 443 A HN 0.495 nan 8.150 nan 0.000 0.407 444 V N 2.345 122.170 119.914 -0.148 0.000 2.495 444 V HA 0.576 4.696 4.120 -0.000 0.000 0.298 444 V C -0.648 175.328 176.094 -0.196 0.000 1.031 444 V CA -0.607 61.467 62.300 -0.376 0.000 0.871 444 V CB 1.517 32.704 31.823 -1.061 0.000 0.988 444 V HN 0.788 nan 8.190 nan 0.000 0.432 445 K N 4.786 125.124 120.400 -0.103 0.000 2.334 445 K HA 0.381 4.701 4.320 -0.000 0.000 0.265 445 K C -0.149 176.385 176.600 -0.110 0.000 1.039 445 K CA -0.080 56.168 56.287 -0.064 0.000 0.920 445 K CB 1.520 34.043 32.500 0.039 0.000 1.160 445 K HN 0.694 nan 8.250 nan 0.000 0.451 446 S N 2.118 117.730 115.700 -0.147 0.000 2.549 446 S HA 0.013 4.483 4.470 -0.000 0.000 0.283 446 S C 1.483 176.026 174.600 -0.095 0.000 1.320 446 S CA -0.455 57.656 58.200 -0.149 0.000 1.058 446 S CB 0.523 63.604 63.200 -0.199 0.000 0.882 446 S HN 0.707 nan 8.310 nan 0.000 0.498 447 R N 2.346 122.805 120.500 -0.068 0.000 2.193 447 R HA -0.069 4.271 4.340 -0.000 0.000 0.229 447 R C 1.274 177.560 176.300 -0.025 0.000 1.110 447 R CA 1.764 57.849 56.100 -0.025 0.000 0.988 447 R CB -1.270 29.029 30.300 -0.001 0.000 0.871 447 R HN 0.685 nan 8.270 nan 0.000 0.458 448 T N -2.692 111.827 114.554 -0.058 0.000 3.122 448 T HA 0.385 4.735 4.350 -0.000 0.000 0.250 448 T C 0.698 175.343 174.700 -0.091 0.000 1.067 448 T CA 0.007 62.079 62.100 -0.047 0.000 0.966 448 T CB 0.599 69.457 68.868 -0.018 0.000 1.002 448 T HN 0.587 nan 8.240 nan 0.000 0.542 449 G N -0.607 108.127 108.800 -0.110 0.000 2.770 449 G HA2 0.464 4.424 3.960 -0.000 0.000 0.686 449 G HA3 0.464 4.424 3.960 -0.000 0.000 0.686 449 G C -0.002 174.795 174.900 -0.172 0.000 1.180 449 G CA -0.534 44.496 45.100 -0.115 0.000 0.767 449 G HN 1.801 nan 8.290 nan 0.000 0.646 450 G N 0.257 108.978 108.800 -0.133 0.000 2.699 450 G HA2 0.446 4.406 3.960 -0.000 0.000 0.686 450 G HA3 0.446 4.406 3.960 -0.000 0.000 0.686 450 G C -0.575 174.241 174.900 -0.141 0.000 1.301 450 G CA 0.327 45.340 45.100 -0.146 0.000 0.816 450 G HN 1.488 nan 8.290 nan 0.000 0.595 451 E N -0.470 119.651 120.200 -0.131 0.000 2.383 451 E HA 0.630 4.979 4.350 -0.000 0.000 0.275 451 E C -0.649 175.871 176.600 -0.133 0.000 0.918 451 E CA -0.851 55.473 56.400 -0.126 0.000 0.764 451 E CB 2.825 32.470 29.700 -0.092 0.000 1.252 451 E HN 0.639 nan 8.360 nan 0.000 0.449 452 E N 1.302 121.422 120.200 -0.133 0.000 2.275 452 E HA 0.418 4.767 4.350 -0.000 0.000 0.270 452 E C -1.708 174.832 176.600 -0.099 0.000 0.882 452 E CA -0.517 55.801 56.400 -0.135 0.000 0.758 452 E CB 1.604 31.269 29.700 -0.059 0.000 1.195 452 E HN 0.492 nan 8.360 nan 0.000 0.419 453 S N 2.950 118.505 115.700 -0.240 0.000 2.548 453 S HA 0.747 5.217 4.470 -0.000 0.000 0.286 453 S C -1.114 173.251 174.600 -0.390 0.000 1.098 453 S CA -0.733 57.390 58.200 -0.129 0.000 0.930 453 S CB 0.818 63.977 63.200 -0.068 0.000 1.070 453 S HN 0.323 nan 8.310 nan 0.000 0.480 454 F N 0.384 120.368 119.950 0.057 0.000 2.556 454 F HA 0.623 5.150 4.527 -0.000 0.000 0.314 454 F C 0.252 176.022 175.800 -0.050 0.000 1.106 454 F CA -0.487 57.513 58.000 -0.001 0.000 0.911 454 F CB 2.805 41.793 39.000 -0.020 0.000 1.190 454 F HN 0.581 nan 8.300 nan 0.000 0.448 455 T N 4.847 119.451 114.554 0.082 0.000 2.809 455 T HA 0.756 5.106 4.350 -0.000 0.000 0.284 455 T C -0.548 174.101 174.700 -0.084 0.000 0.992 455 T CA -0.473 61.621 62.100 -0.010 0.000 0.957 455 T CB 0.864 69.714 68.868 -0.030 0.000 0.942 455 T HN 0.544 nan 8.240 nan 0.000 0.439 456 I N 0.654 121.117 120.570 -0.178 0.000 3.145 456 I HA 0.781 4.951 4.170 -0.000 0.000 0.313 456 I C -3.110 172.828 176.117 -0.297 0.000 1.122 456 I CA -3.618 57.489 61.300 -0.321 0.000 0.987 456 I CB 2.085 39.675 38.000 -0.683 0.000 1.236 456 I HN 0.252 nan 8.210 nan 0.000 0.453 457 P HA 0.161 nan 4.420 nan 0.000 0.271 457 P C -0.647 176.275 177.300 -0.629 0.000 1.218 457 P CA -0.255 62.458 63.100 -0.644 0.000 0.780 457 P CB 0.784 31.758 31.700 -1.209 0.000 0.901 458 A N 3.238 125.769 122.820 -0.481 0.000 3.126 458 A HA 0.196 4.516 4.320 -0.000 0.000 0.268 458 A C -0.519 176.928 177.584 -0.227 0.000 1.605 458 A CA -0.649 51.231 52.037 -0.261 0.000 1.305 458 A CB -1.290 17.618 19.000 -0.153 0.000 1.160 458 A HN 0.501 nan 8.150 nan 0.000 0.609 459 W N 1.593 122.780 121.300 -0.188 0.000 2.257 459 W HA 0.253 4.913 4.660 -0.000 0.000 0.337 459 W C 1.041 177.535 176.519 -0.040 0.000 1.321 459 W CA 0.445 57.639 57.345 -0.252 0.000 1.267 459 W CB 0.545 29.742 29.460 -0.438 0.000 1.187 459 W HN 0.650 nan 8.180 nan 0.000 0.565 460 S N 1.828 117.711 115.700 0.305 0.000 2.565 460 S HA 0.455 4.925 4.470 -0.000 0.000 0.276 460 S C 0.908 175.667 174.600 0.265 0.000 1.326 460 S CA -0.390 57.955 58.200 0.242 0.000 1.045 460 S CB 1.656 64.972 63.200 0.193 0.000 0.918 460 S HN 0.693 nan 8.310 nan 0.000 0.505 461 A N 2.258 125.179 122.820 0.168 0.000 2.070 461 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 461 A C 1.926 179.548 177.584 0.063 0.000 1.159 461 A CA 1.386 53.496 52.037 0.122 0.000 0.656 461 A CB -0.843 18.226 19.000 0.114 0.000 0.800 461 A HN 0.997 nan 8.150 nan 0.000 0.453 462 D N -0.681 119.756 120.400 0.061 0.000 2.178 462 D HA -0.178 4.461 4.640 -0.000 0.000 0.201 462 D C 1.525 177.794 176.300 -0.052 0.000 0.980 462 D CA 1.109 55.116 54.000 0.013 0.000 0.842 462 D CB -0.258 40.557 40.800 0.025 0.000 0.948 462 D HN 0.351 nan 8.370 nan 0.000 0.472 463 R N -0.878 119.567 120.500 -0.091 0.000 2.469 463 R HA 0.197 4.537 4.340 -0.000 0.000 0.250 463 R C 0.210 176.155 176.300 -0.593 0.000 0.909 463 R CA -0.025 55.875 56.100 -0.333 0.000 1.050 463 R CB 0.468 30.511 30.300 -0.428 0.000 1.256 463 R HN 0.382 nan 8.270 nan 0.000 0.550 464 H N -0.476 118.578 119.070 -0.028 0.000 2.690 464 H HA 0.499 5.055 4.556 -0.000 0.000 0.368 464 H C -0.575 174.699 175.328 -0.091 0.000 1.150 464 H CA -0.547 55.460 56.048 -0.069 0.000 1.174 464 H CB 2.385 32.175 29.762 0.046 0.000 1.684 464 H HN -0.200 nan 8.280 nan 0.000 0.538 465 S N 1.938 117.585 115.700 -0.088 0.000 2.513 465 S HA 0.527 4.997 4.470 -0.000 0.000 0.299 465 S C 0.036 174.660 174.600 0.039 0.000 1.087 465 S CA -0.677 57.492 58.200 -0.051 0.000 1.012 465 S CB 1.168 64.278 63.200 -0.149 0.000 1.044 465 S HN 0.357 nan 8.310 nan 0.000 0.485 466 I N 3.183 123.795 120.570 0.070 0.000 2.406 466 I HA 0.463 4.633 4.170 -0.000 0.000 0.290 466 I C -1.339 174.752 176.117 -0.042 0.000 0.999 466 I CA -0.658 60.700 61.300 0.097 0.000 1.124 466 I CB 1.467 39.566 38.000 0.166 0.000 1.289 466 I HN 0.410 nan 8.210 nan 0.000 0.441 467 I N 7.217 127.719 120.570 -0.113 0.000 2.418 467 I HA 0.355 4.525 4.170 -0.000 0.000 0.287 467 I C -0.415 175.617 176.117 -0.142 0.000 1.008 467 I CA -0.538 60.624 61.300 -0.229 0.000 1.104 467 I CB 1.847 39.611 38.000 -0.394 0.000 1.264 467 I HN 0.116 nan 8.210 nan 0.000 0.438 468 V N 5.785 125.517 119.914 -0.304 0.000 2.409 468 V HA 0.430 4.550 4.120 -0.000 0.000 0.291 468 V C -0.210 175.493 176.094 -0.652 0.000 1.020 468 V CA -0.692 61.312 62.300 -0.493 0.000 0.848 468 V CB 1.580 32.971 31.823 -0.721 0.000 0.990 468 V HN 0.737 nan 8.190 nan 0.000 0.430 469 Q N 4.259 123.739 119.800 -0.533 0.000 2.368 469 Q HA 0.496 4.836 4.340 -0.000 0.000 0.256 469 Q C -1.059 174.732 176.000 -0.348 0.000 0.980 469 Q CA -0.331 55.193 55.803 -0.465 0.000 0.887 469 Q CB 0.680 29.209 28.738 -0.348 0.000 1.221 469 Q HN 0.548 nan 8.270 nan 0.000 0.458 470 F N 1.338 121.175 119.950 -0.187 0.000 2.459 470 F HA 0.229 4.755 4.527 -0.000 0.000 0.346 470 F C 0.884 176.650 175.800 -0.056 0.000 1.128 470 F CA -0.326 57.659 58.000 -0.025 0.000 1.268 470 F CB 0.919 39.902 39.000 -0.029 0.000 1.161 470 F HN 0.423 nan 8.300 nan 0.000 0.583 471 S N 0.973 116.810 115.700 0.228 0.000 2.572 471 S HA 0.047 4.517 4.470 -0.000 0.000 0.279 471 S C 0.564 175.196 174.600 0.053 0.000 1.341 471 S CA -0.516 57.734 58.200 0.083 0.000 1.043 471 S CB 0.526 63.759 63.200 0.055 0.000 0.887 471 S HN 0.595 nan 8.310 nan 0.000 0.516 472 D N -0.359 120.066 120.400 0.042 0.000 2.349 472 D HA 0.063 4.703 4.640 -0.000 0.000 0.224 472 D C -0.247 176.122 176.300 0.114 0.000 1.029 472 D CA 0.302 54.338 54.000 0.059 0.000 0.879 472 D CB -0.149 40.695 40.800 0.073 0.000 0.906 472 D HN 0.524 nan 8.370 nan 0.000 0.528 473 Y N -0.512 119.749 120.300 -0.066 0.000 2.482 473 Y HA 0.422 4.972 4.550 -0.000 0.000 0.334 473 Y C -1.659 174.197 175.900 -0.074 0.000 1.091 473 Y CA -1.196 56.854 58.100 -0.084 0.000 1.027 473 Y CB 1.529 39.920 38.460 -0.116 0.000 1.306 473 Y HN -0.235 nan 8.280 nan 0.000 0.446 474 I N 6.037 126.224 120.570 -0.639 0.000 2.436 474 I HA 0.405 4.575 4.170 -0.000 0.000 0.289 474 I C -1.112 174.754 176.117 -0.418 0.000 1.010 474 I CA -1.087 59.987 61.300 -0.376 0.000 1.098 474 I CB 1.789 39.600 38.000 -0.316 0.000 1.266 474 I HN 0.256 nan 8.210 nan 0.000 0.434 475 V N 4.975 124.806 119.914 -0.139 0.000 2.333 475 V HA 0.165 4.285 4.120 -0.000 0.000 0.274 475 V C -0.360 175.691 176.094 -0.072 0.000 1.028 475 V CA -0.343 61.932 62.300 -0.043 0.000 0.851 475 V CB 1.336 33.188 31.823 0.048 0.000 1.000 475 V HN 0.686 nan 8.190 nan 0.000 0.456 476 D N 3.855 124.205 120.400 -0.083 0.000 2.274 476 D HA 0.277 4.917 4.640 -0.000 0.000 0.239 476 D C 1.108 177.380 176.300 -0.046 0.000 1.104 476 D CA -0.436 53.520 54.000 -0.074 0.000 0.840 476 D CB 1.167 41.914 40.800 -0.089 0.000 1.100 476 D HN 0.373 nan 8.370 nan 0.000 0.477 477 K N 2.384 122.758 120.400 -0.044 0.000 2.020 477 K HA -0.177 4.143 4.320 -0.000 0.000 0.212 477 K C 1.708 178.289 176.600 -0.032 0.000 1.050 477 K CA 1.055 57.320 56.287 -0.036 0.000 0.929 477 K CB -0.121 32.356 32.500 -0.039 0.000 0.714 477 K HN 0.454 nan 8.250 nan 0.000 0.443 478 L N 0.764 121.967 121.223 -0.033 0.000 2.056 478 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 478 L C 2.157 179.017 176.870 -0.017 0.000 1.078 478 L CA 1.872 56.696 54.840 -0.026 0.000 0.749 478 L CB -0.633 41.409 42.059 -0.029 0.000 0.901 478 L HN 0.137 nan 8.230 nan 0.000 0.433 479 A N -0.393 122.413 122.820 -0.022 0.000 1.902 479 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 479 A C 2.459 180.046 177.584 0.006 0.000 1.181 479 A CA 1.870 53.898 52.037 -0.014 0.000 0.623 479 A CB -1.221 17.760 19.000 -0.032 0.000 0.818 479 A HN 0.576 nan 8.150 nan 0.000 0.443 480 A N -0.196 122.627 122.820 0.005 0.000 1.902 480 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 480 A C 2.492 180.102 177.584 0.043 0.000 1.181 480 A CA 2.136 54.190 52.037 0.028 0.000 0.623 480 A CB -0.972 18.038 19.000 0.017 0.000 0.818 480 A HN 1.066 nan 8.150 nan 0.000 0.443 481 A N -0.427 122.403 122.820 0.015 0.000 1.930 481 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 481 A C 2.154 179.774 177.584 0.060 0.000 1.175 481 A CA 1.381 53.428 52.037 0.017 0.000 0.627 481 A CB -0.543 18.444 19.000 -0.021 0.000 0.815 481 A HN 0.464 nan 8.150 nan 0.000 0.443 482 L N -0.698 120.548 121.223 0.038 0.000 2.046 482 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 482 L C 2.620 179.521 176.870 0.052 0.000 1.077 482 L CA 1.589 56.452 54.840 0.038 0.000 0.747 482 L CB -0.506 41.564 42.059 0.018 0.000 0.896 482 L HN 0.476 nan 8.230 nan 0.000 0.432 483 E N -1.158 119.076 120.200 0.057 0.000 2.047 483 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 483 E C 0.914 177.557 176.600 0.072 0.000 0.987 483 E CA 0.598 57.031 56.400 0.054 0.000 0.799 483 E CB -0.156 29.574 29.700 0.052 0.000 0.752 483 E HN 0.490 nan 8.360 nan 0.000 0.449 484 H N 0.000 119.073 119.070 0.004 0.000 2.539 484 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 484 H CA 0.000 56.050 56.048 0.004 0.000 1.023 484 H CB 0.000 29.763 29.762 0.002 0.000 1.292 484 H HN 0.000 nan 8.280 nan 0.000 0.496