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 2e5c_1_B DATA FIRST_RESID 8 DATA SEQUENCE EFNILLATDS YKVTHYKQYP PNTSKVYSYF ECREKXXXXX XXXXXKYEET DATA SEQUENCE VFYGLQYILN KYLKGKVVTK EKIQEAKDVY KEHFQDDVFN EKGWNYILEK DATA SEQUENCE YDGHLPIEIK AVPEGFVIPR GNVLFTVENT DPECYWLTNW IETILVQSWY DATA SEQUENCE PITVATNSRE QKKILAKYLL ETSGNLDGLE YKLHDFGYRG VSSQETAGIG DATA SEQUENCE ASAHLVNFKG TDTVAGLALI KKYYGTKDPV PGYSVPAAEH STITAWGKDH DATA SEQUENCE EKDAFEHIVT QFSSVPVSVV SDSYDIYNAC EKIWGEDLRH LIVSRSTQAP DATA SEQUENCE LIIRPDSGNP LDTVLKVLEI LGKKFPVTEN SKGYKLLPPY LRVIQGDGVD DATA SEQUENCE INTLQEIVEG MKQKMWSIEN IAFGSGGGLL QKLTRDLLNC SFKCSYVVTN DATA SEQUENCE GLGINVFKDP VADPNKRSKK GRLSLHRTPA GNFVTLEEGK GDLEEYGQDL DATA SEQUENCE LHTVFKNGKV TKSYSFDEIR KNAQLN 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.657 176.600 0.095 0.000 1.382 8 E CA 0.000 56.441 56.400 0.068 0.000 0.976 8 E CB 0.000 29.718 29.700 0.030 0.000 0.812 9 F N 3.358 123.325 119.950 0.028 0.000 2.538 9 F HA 0.255 4.778 4.527 -0.008 0.000 0.371 9 F C 0.199 176.007 175.800 0.013 0.000 1.087 9 F CA 0.090 58.117 58.000 0.044 0.000 1.250 9 F CB 0.449 39.536 39.000 0.145 0.000 1.110 9 F HN 0.223 nan 8.300 nan 0.000 0.570 10 N N 7.194 125.420 118.700 -0.790 0.000 2.483 10 N HA 0.148 4.884 4.740 -0.007 0.000 0.267 10 N C 0.650 175.637 175.510 -0.873 0.000 0.998 10 N CA -0.419 52.263 53.050 -0.614 0.000 0.918 10 N CB 0.876 39.135 38.487 -0.380 0.000 1.215 10 N HN 0.922 nan 8.380 nan 0.000 0.500 11 I N 2.799 123.042 120.570 -0.544 0.000 2.567 11 I HA -0.197 3.969 4.170 -0.007 0.000 0.257 11 I C 0.784 176.903 176.117 0.003 0.000 1.184 11 I CA 0.903 62.100 61.300 -0.172 0.000 1.451 11 I CB 0.338 38.455 38.000 0.195 0.000 1.089 11 I HN 0.487 nan 8.210 nan 0.000 0.441 12 L N 0.083 121.183 121.223 -0.205 0.000 2.376 12 L HA -0.067 4.269 4.340 -0.007 0.000 0.219 12 L C 1.638 178.652 176.870 0.240 0.000 1.133 12 L CA 1.299 56.105 54.840 -0.056 0.000 0.816 12 L CB -0.332 41.458 42.059 -0.448 0.000 0.933 12 L HN 0.220 nan 8.230 nan 0.000 0.449 13 L N -1.144 120.042 121.223 -0.062 0.000 2.857 13 L HA 0.340 4.676 4.340 -0.007 0.000 0.249 13 L C 0.954 177.750 176.870 -0.123 0.000 1.172 13 L CA -0.140 54.631 54.840 -0.115 0.000 0.980 13 L CB 0.072 41.946 42.059 -0.310 0.000 1.299 13 L HN 0.078 nan 8.230 nan 0.000 0.535 14 A N -0.265 122.508 122.820 -0.078 0.000 3.041 14 A HA 0.541 4.857 4.320 -0.007 0.000 0.307 14 A C 0.122 177.697 177.584 -0.016 0.000 1.116 14 A CA -0.067 51.934 52.037 -0.060 0.000 1.001 14 A CB 0.175 19.146 19.000 -0.048 0.000 1.112 14 A HN 0.122 nan 8.150 nan 0.000 0.556 15 T N -0.842 113.655 114.554 -0.094 0.000 2.864 15 T HA 0.340 4.686 4.350 -0.007 0.000 0.299 15 T C -1.429 173.190 174.700 -0.135 0.000 1.166 15 T CA -0.591 61.370 62.100 -0.232 0.000 1.007 15 T CB 1.134 69.547 68.868 -0.758 0.000 1.219 15 T HN 0.312 nan 8.240 nan 0.000 0.506 16 D N 2.019 122.374 120.400 -0.074 0.000 2.424 16 D HA 0.131 4.767 4.640 -0.007 0.000 0.244 16 D C 1.136 177.492 176.300 0.094 0.000 1.134 16 D CA 0.216 54.266 54.000 0.084 0.000 0.881 16 D CB 1.454 42.443 40.800 0.314 0.000 1.191 16 D HN 0.500 nan 8.370 nan 0.000 0.445 17 S N 1.783 117.584 115.700 0.169 0.000 2.372 17 S HA -0.265 4.201 4.470 -0.007 0.000 0.227 17 S C 1.867 176.683 174.600 0.360 0.000 1.044 17 S CA 1.435 59.793 58.200 0.264 0.000 1.050 17 S CB -0.516 62.852 63.200 0.279 0.000 0.901 17 S HN 0.714 nan 8.310 nan 0.000 0.447 18 Y N 1.065 121.385 120.300 0.033 0.000 2.403 18 Y HA 0.068 4.617 4.550 -0.002 0.000 0.291 18 Y C 1.815 177.379 175.900 -0.559 0.000 1.143 18 Y CA 0.685 58.733 58.100 -0.085 0.000 1.257 18 Y CB -0.385 38.064 38.460 -0.018 0.000 0.984 18 Y HN 0.088 nan 8.280 nan 0.000 0.550 19 K N 0.747 120.701 120.400 -0.743 0.000 2.283 19 K HA -0.052 4.264 4.320 -0.007 0.000 0.202 19 K C 1.825 178.141 176.600 -0.474 0.000 1.048 19 K CA 1.032 56.753 56.287 -0.942 0.000 0.948 19 K CB -0.044 32.117 32.500 -0.566 0.000 0.742 19 K HN 0.259 nan 8.250 nan 0.000 0.458 20 V N 1.391 121.077 119.914 -0.381 0.000 2.594 20 V HA -0.209 3.907 4.120 -0.007 0.000 0.253 20 V C 2.270 178.369 176.094 0.009 0.000 1.069 20 V CA 2.254 64.485 62.300 -0.115 0.000 1.082 20 V CB -0.698 30.929 31.823 -0.328 0.000 0.680 20 V HN 0.531 nan 8.190 nan 0.000 0.469 21 T N -4.082 110.365 114.554 -0.178 0.000 3.086 21 T HA 0.019 4.364 4.350 -0.007 0.000 0.250 21 T C 1.408 176.082 174.700 -0.043 0.000 1.074 21 T CA 0.404 62.416 62.100 -0.147 0.000 0.988 21 T CB -0.486 68.253 68.868 -0.215 0.000 0.988 21 T HN 0.607 nan 8.240 nan 0.000 0.530 22 H N 0.215 119.300 119.070 0.023 0.000 2.462 22 H HA 0.022 4.574 4.556 -0.008 0.000 0.292 22 H C 1.891 177.290 175.328 0.118 0.000 1.049 22 H CA 1.358 57.391 56.048 -0.024 0.000 1.334 22 H CB -0.202 29.550 29.762 -0.017 0.000 1.404 22 H HN 0.713 nan 8.280 nan 0.000 0.544 23 Y N 0.908 121.343 120.300 0.225 0.000 2.483 23 Y HA -0.049 4.497 4.550 -0.007 0.000 0.291 23 Y C 1.255 177.295 175.900 0.235 0.000 1.143 23 Y CA 0.575 58.814 58.100 0.232 0.000 1.289 23 Y CB -0.099 38.227 38.460 -0.224 0.000 0.983 23 Y HN -0.101 nan 8.280 nan 0.000 0.556 24 K N 0.375 120.481 120.400 -0.491 0.000 2.397 24 K HA 0.139 4.455 4.320 -0.007 0.000 0.202 24 K C 0.777 177.279 176.600 -0.164 0.000 1.022 24 K CA 0.112 56.162 56.287 -0.394 0.000 1.141 24 K CB 0.271 32.414 32.500 -0.595 0.000 0.857 24 K HN 0.550 nan 8.250 nan 0.000 0.514 25 Q N -0.882 118.862 119.800 -0.094 0.000 2.322 25 Q HA 0.117 4.453 4.340 -0.007 0.000 0.250 25 Q C -0.331 175.578 176.000 -0.151 0.000 0.853 25 Q CA -0.081 55.632 55.803 -0.150 0.000 0.951 25 Q CB 0.488 29.094 28.738 -0.220 0.000 1.114 25 Q HN 0.155 nan 8.270 nan 0.000 0.523 26 Y N 2.206 122.547 120.300 0.068 0.000 2.457 26 Y HA 0.107 4.654 4.550 -0.006 0.000 0.341 26 Y C -1.798 174.088 175.900 -0.023 0.000 1.240 26 Y CA -2.043 56.090 58.100 0.055 0.000 1.437 26 Y CB -0.280 38.285 38.460 0.175 0.000 1.328 26 Y HN 0.015 nan 8.280 nan 0.000 0.588 27 P HA 0.059 nan 4.420 nan 0.000 0.266 27 P C -2.540 174.738 177.300 -0.037 0.000 1.195 27 P CA -0.897 62.216 63.100 0.021 0.000 0.768 27 P CB -0.033 31.670 31.700 0.005 0.000 0.838 28 P HA -0.035 nan 4.420 nan 0.000 0.266 28 P C -0.086 177.145 177.300 -0.114 0.000 1.193 28 P CA 0.494 63.546 63.100 -0.080 0.000 0.770 28 P CB 0.076 31.746 31.700 -0.051 0.000 0.836 29 N N -1.358 117.252 118.700 -0.150 0.000 2.754 29 N HA -0.126 4.610 4.740 -0.007 0.000 0.248 29 N C -0.786 174.610 175.510 -0.190 0.000 1.093 29 N CA 1.011 53.972 53.050 -0.149 0.000 0.699 29 N CB -2.256 36.178 38.487 -0.089 0.000 1.016 29 N HN 0.371 nan 8.380 nan 0.000 0.552 30 T N 0.116 114.477 114.554 -0.321 0.000 2.749 30 T HA 0.337 4.682 4.350 -0.007 0.000 0.295 30 T C 1.442 175.945 174.700 -0.329 0.000 0.936 30 T CA 0.073 61.975 62.100 -0.330 0.000 1.060 30 T CB 1.174 69.814 68.868 -0.381 0.000 0.904 30 T HN 0.342 nan 8.240 nan 0.000 0.500 31 S N 2.190 117.800 115.700 -0.149 0.000 2.505 31 S HA 0.262 4.728 4.470 -0.007 0.000 0.216 31 S C 0.447 175.053 174.600 0.010 0.000 1.018 31 S CA -0.368 57.801 58.200 -0.050 0.000 0.911 31 S CB 0.152 63.332 63.200 -0.033 0.000 0.818 31 S HN 0.463 nan 8.310 nan 0.000 0.497 32 K N 1.097 121.489 120.400 -0.013 0.000 2.507 32 K HA 0.635 4.951 4.320 -0.007 0.000 0.251 32 K C -1.953 174.658 176.600 0.017 0.000 0.943 32 K CA -0.504 55.803 56.287 0.034 0.000 0.794 32 K CB 2.229 34.770 32.500 0.069 0.000 1.188 32 K HN 0.023 nan 8.250 nan 0.000 0.428 33 V N 5.219 125.166 119.914 0.055 0.000 2.487 33 V HA 0.455 4.571 4.120 -0.007 0.000 0.298 33 V C -1.434 174.783 176.094 0.206 0.000 1.028 33 V CA -0.789 61.553 62.300 0.069 0.000 0.860 33 V CB 1.307 33.094 31.823 -0.059 0.000 0.991 33 V HN 0.773 nan 8.190 nan 0.000 0.427 34 Y N 3.634 124.013 120.300 0.131 0.000 2.338 34 Y HA 0.723 5.269 4.550 -0.007 0.000 0.333 34 Y C -0.068 175.919 175.900 0.146 0.000 0.968 34 Y CA -0.040 58.161 58.100 0.168 0.000 1.123 34 Y CB 1.907 40.523 38.460 0.260 0.000 1.165 34 Y HN 0.644 nan 8.280 nan 0.000 0.452 35 S N 5.116 120.683 115.700 -0.221 0.000 2.632 35 S HA 0.624 5.089 4.470 -0.007 0.000 0.289 35 S C -1.727 172.567 174.600 -0.510 0.000 1.115 35 S CA -0.722 57.304 58.200 -0.291 0.000 0.889 35 S CB 1.713 64.700 63.200 -0.355 0.000 1.116 35 S HN 0.696 nan 8.310 nan 0.000 0.486 36 Y N -0.492 119.375 120.300 -0.722 0.000 2.615 36 Y HA 0.826 5.373 4.550 -0.006 0.000 0.341 36 Y C -1.708 173.804 175.900 -0.647 0.000 1.089 36 Y CA -1.535 56.209 58.100 -0.593 0.000 1.049 36 Y CB 0.964 39.231 38.460 -0.322 0.000 1.296 36 Y HN 0.579 nan 8.280 nan 0.000 0.470 37 F N 2.713 122.148 119.950 -0.859 0.000 2.495 37 F HA 0.607 5.130 4.527 -0.007 0.000 0.327 37 F C -0.782 174.774 175.800 -0.407 0.000 1.103 37 F CA -0.337 57.178 58.000 -0.808 0.000 0.949 37 F CB 1.430 39.632 39.000 -1.331 0.000 1.142 37 F HN 0.801 nan 8.300 nan 0.000 0.457 38 E N 3.487 123.245 120.200 -0.737 0.000 2.429 38 E HA 0.499 4.845 4.350 -0.007 0.000 0.276 38 E C -1.847 174.462 176.600 -0.486 0.000 0.953 38 E CA -1.151 55.049 56.400 -0.333 0.000 0.787 38 E CB 1.575 31.258 29.700 -0.028 0.000 1.307 38 E HN 0.509 nan 8.360 nan 0.000 0.458 39 C N 2.267 121.478 119.300 -0.149 0.000 2.176 39 C HA 0.405 4.861 4.460 -0.007 0.000 0.329 39 C C 0.310 175.273 174.990 -0.046 0.000 1.113 39 C CA -0.670 58.299 59.018 -0.082 0.000 1.562 39 C CB -1.349 26.426 27.740 0.058 0.000 2.040 39 C HN 0.511 nan 8.230 nan 0.000 0.460 40 R N 1.808 122.264 120.500 -0.074 0.000 2.640 40 R HA 0.079 4.415 4.340 -0.007 0.000 0.270 40 R C 0.396 176.698 176.300 0.002 0.000 1.024 40 R CA 0.266 56.349 56.100 -0.029 0.000 1.085 40 R CB 0.781 31.059 30.300 -0.036 0.000 0.963 40 R HN 0.693 nan 8.270 nan 0.000 0.426 41 E N 3.487 123.697 120.200 0.017 0.000 2.398 41 E HA -0.052 4.294 4.350 -0.007 0.000 0.263 41 E C 0.119 176.736 176.600 0.027 0.000 1.046 41 E CA -0.012 56.405 56.400 0.028 0.000 0.908 41 E CB 0.652 30.369 29.700 0.029 0.000 0.963 41 E HN 0.450 nan 8.360 nan 0.000 0.431 54 Y N -0.264 120.056 120.300 0.033 0.000 3.233 54 Y HA -0.181 4.365 4.550 -0.007 0.000 0.201 54 Y C 0.395 176.318 175.900 0.039 0.000 1.486 54 Y CA 0.948 59.072 58.100 0.040 0.000 1.326 54 Y CB -2.300 36.189 38.460 0.048 0.000 1.460 54 Y HN 0.782 nan 8.280 nan 0.000 0.512 55 E N 0.649 120.925 120.200 0.127 0.000 2.358 55 E HA -0.065 4.281 4.350 -0.007 0.000 0.195 55 E C 0.754 177.409 176.600 0.092 0.000 1.010 55 E CA 1.107 57.563 56.400 0.093 0.000 0.856 55 E CB 0.300 30.033 29.700 0.056 0.000 0.795 55 E HN 0.775 nan 8.360 nan 0.000 0.504 56 E N 0.501 120.763 120.200 0.103 0.000 2.340 56 E HA 0.362 4.708 4.350 -0.007 0.000 0.273 56 E C -0.695 175.969 176.600 0.107 0.000 0.891 56 E CA -0.866 55.585 56.400 0.084 0.000 0.757 56 E CB 1.761 31.497 29.700 0.059 0.000 1.231 56 E HN -0.124 nan 8.360 nan 0.000 0.439 57 T N -1.361 113.251 114.554 0.096 0.000 2.885 57 T HA 0.470 4.816 4.350 -0.007 0.000 0.285 57 T C -0.200 174.572 174.700 0.120 0.000 1.019 57 T CA -0.820 61.355 62.100 0.124 0.000 1.010 57 T CB 1.408 70.373 68.868 0.161 0.000 1.022 57 T HN 0.282 nan 8.240 nan 0.000 0.466 58 V N 3.593 123.575 119.914 0.114 0.000 2.408 58 V HA 0.306 4.422 4.120 -0.007 0.000 0.267 58 V C -0.190 176.016 176.094 0.188 0.000 1.047 58 V CA -0.727 61.638 62.300 0.108 0.000 0.937 58 V CB -0.095 31.743 31.823 0.025 0.000 0.999 58 V HN 0.866 nan 8.190 nan 0.000 0.472 59 F N 7.717 127.721 119.950 0.091 0.000 2.434 59 F HA 0.506 5.028 4.527 -0.008 0.000 0.358 59 F C -0.558 175.322 175.800 0.133 0.000 1.136 59 F CA -0.358 57.709 58.000 0.111 0.000 1.157 59 F CB 0.060 39.120 39.000 0.100 0.000 1.167 59 F HN 0.533 nan 8.300 nan 0.000 0.539 60 Y N 4.354 124.330 120.300 -0.540 0.000 2.513 60 Y HA 0.550 5.095 4.550 -0.007 0.000 0.340 60 Y C 0.100 175.711 175.900 -0.482 0.000 1.055 60 Y CA -0.698 57.127 58.100 -0.458 0.000 1.020 60 Y CB 2.029 40.317 38.460 -0.286 0.000 1.301 60 Y HN 0.679 nan 8.280 nan 0.000 0.453 61 G N 3.416 111.521 108.800 -1.157 0.000 2.336 61 G HA2 -0.260 3.695 3.960 -0.007 0.000 0.194 61 G HA3 -0.260 3.695 3.960 -0.007 0.000 0.194 61 G C 0.474 175.102 174.900 -0.454 0.000 0.999 61 G CA 0.158 44.708 45.100 -0.917 0.000 0.669 61 G HN 0.930 nan 8.290 nan 0.000 0.482 62 L N 1.381 122.313 121.223 -0.485 0.000 2.046 62 L HA 0.125 4.461 4.340 -0.007 0.000 0.208 62 L C 2.653 179.400 176.870 -0.204 0.000 1.077 62 L CA 3.298 57.934 54.840 -0.340 0.000 0.747 62 L CB -0.576 41.301 42.059 -0.305 0.000 0.896 62 L HN 0.501 nan 8.230 nan 0.000 0.432 63 Q N -1.828 117.908 119.800 -0.107 0.000 2.112 63 Q HA -0.317 4.018 4.340 -0.007 0.000 0.206 63 Q C 2.255 178.116 176.000 -0.232 0.000 0.987 63 Q CA 2.301 58.036 55.803 -0.113 0.000 0.858 63 Q CB -0.488 28.203 28.738 -0.078 0.000 0.905 63 Q HN 0.682 nan 8.270 nan 0.000 0.420 64 Y N 0.636 120.697 120.300 -0.398 0.000 2.097 64 Y HA -0.265 4.281 4.550 -0.008 0.000 0.282 64 Y C 1.759 177.338 175.900 -0.535 0.000 1.152 64 Y CA 2.068 59.812 58.100 -0.594 0.000 1.136 64 Y CB -0.334 37.823 38.460 -0.505 0.000 0.975 64 Y HN 0.131 nan 8.280 nan 0.000 0.498 65 I N -0.143 120.182 120.570 -0.407 0.000 2.179 65 I HA -0.349 3.817 4.170 -0.007 0.000 0.242 65 I C 2.400 178.320 176.117 -0.328 0.000 1.088 65 I CA 1.476 62.564 61.300 -0.353 0.000 1.357 65 I CB -0.515 37.387 38.000 -0.163 0.000 1.051 65 I HN 0.269 nan 8.210 nan 0.000 0.409 66 L N 0.264 121.323 121.223 -0.273 0.000 2.042 66 L HA -0.249 4.087 4.340 -0.007 0.000 0.210 66 L C 2.085 178.881 176.870 -0.124 0.000 1.076 66 L CA 1.891 56.614 54.840 -0.195 0.000 0.749 66 L CB -0.822 41.194 42.059 -0.071 0.000 0.893 66 L HN 0.312 nan 8.230 nan 0.000 0.432 67 N N -0.463 118.130 118.700 -0.178 0.000 2.207 67 N HA -0.150 4.586 4.740 -0.007 0.000 0.182 67 N C 1.817 177.212 175.510 -0.191 0.000 1.020 67 N CA 0.773 53.763 53.050 -0.101 0.000 0.858 67 N CB 0.035 38.542 38.487 0.035 0.000 0.991 67 N HN 0.210 nan 8.380 nan 0.000 0.427 68 K N -0.816 119.272 120.400 -0.519 0.000 2.116 68 K HA -0.034 4.282 4.320 -0.007 0.000 0.203 68 K C 0.644 176.757 176.600 -0.811 0.000 1.052 68 K CA 1.119 56.933 56.287 -0.788 0.000 0.952 68 K CB 0.174 31.749 32.500 -1.541 0.000 0.729 68 K HN 0.212 nan 8.250 nan 0.000 0.446 69 Y N -0.889 119.159 120.300 -0.420 0.000 2.589 69 Y HA 0.205 4.752 4.550 -0.006 0.000 0.271 69 Y C 1.511 177.332 175.900 -0.132 0.000 1.107 69 Y CA -0.060 57.794 58.100 -0.410 0.000 1.273 69 Y CB 0.486 38.616 38.460 -0.551 0.000 1.266 69 Y HN -0.118 nan 8.280 nan 0.000 0.504 70 L N 0.420 121.641 121.223 -0.005 0.000 2.515 70 L HA 0.123 4.459 4.340 -0.007 0.000 0.223 70 L C 0.633 177.603 176.870 0.167 0.000 1.079 70 L CA 0.131 54.962 54.840 -0.015 0.000 0.857 70 L CB 0.038 41.874 42.059 -0.372 0.000 1.050 70 L HN 0.013 nan 8.230 nan 0.000 0.476 71 K N 0.513 121.023 120.400 0.184 0.000 2.118 71 K HA 0.571 4.887 4.320 -0.007 0.000 0.264 71 K C 0.523 177.135 176.600 0.019 0.000 1.000 71 K CA 0.186 56.611 56.287 0.230 0.000 0.929 71 K CB 1.259 33.865 32.500 0.177 0.000 1.021 71 K HN 0.026 nan 8.250 nan 0.000 0.463 72 G N 1.266 109.999 108.800 -0.112 0.000 2.593 72 G HA2 -0.324 3.631 3.960 -0.007 0.000 0.237 72 G HA3 -0.324 3.631 3.960 -0.007 0.000 0.237 72 G C -1.054 173.394 174.900 -0.753 0.000 1.312 72 G CA 0.096 44.973 45.100 -0.371 0.000 0.896 72 G HN 0.876 nan 8.290 nan 0.000 0.574 73 K N 0.437 120.537 120.400 -0.501 0.000 2.262 73 K HA 0.455 4.771 4.320 -0.007 0.000 0.288 73 K C 1.429 177.989 176.600 -0.066 0.000 1.090 73 K CA 0.264 56.404 56.287 -0.246 0.000 0.918 73 K CB 0.398 32.902 32.500 0.007 0.000 1.139 73 K HN 1.267 nan 8.250 nan 0.000 0.462 74 V N 1.537 121.445 119.914 -0.011 0.000 3.643 74 V HA 0.206 4.321 4.120 -0.007 0.000 0.280 74 V C 0.019 176.157 176.094 0.073 0.000 1.351 74 V CA -0.288 62.056 62.300 0.072 0.000 1.073 74 V CB 0.643 32.546 31.823 0.134 0.000 0.863 74 V HN 0.244 nan 8.190 nan 0.000 0.436 75 V N 2.382 122.354 119.914 0.097 0.000 2.448 75 V HA 0.743 4.859 4.120 -0.007 0.000 0.295 75 V C 0.211 176.355 176.094 0.084 0.000 1.025 75 V CA 0.456 62.814 62.300 0.098 0.000 0.859 75 V CB 1.171 33.138 31.823 0.240 0.000 0.988 75 V HN 0.644 nan 8.190 nan 0.000 0.431 76 T N 0.716 115.297 114.554 0.045 0.000 2.887 76 T HA 0.519 4.865 4.350 -0.007 0.000 0.292 76 T C 0.567 175.291 174.700 0.040 0.000 1.087 76 T CA -0.757 61.370 62.100 0.045 0.000 1.009 76 T CB 2.268 71.152 68.868 0.026 0.000 1.203 76 T HN 0.323 nan 8.240 nan 0.000 0.518 77 K N 0.429 120.854 120.400 0.043 0.000 2.097 77 K HA -0.040 4.276 4.320 -0.007 0.000 0.206 77 K C 1.884 178.496 176.600 0.021 0.000 1.049 77 K CA 1.586 57.899 56.287 0.044 0.000 0.933 77 K CB -0.557 31.968 32.500 0.041 0.000 0.717 77 K HN 0.701 nan 8.250 nan 0.000 0.442 78 E N 0.196 120.398 120.200 0.004 0.000 2.110 78 E HA -0.101 4.245 4.350 -0.007 0.000 0.193 78 E C 1.726 178.297 176.600 -0.048 0.000 0.988 78 E CA 1.328 57.717 56.400 -0.018 0.000 0.804 78 E CB 0.009 29.698 29.700 -0.018 0.000 0.745 78 E HN 0.254 nan 8.360 nan 0.000 0.458 79 K N 0.027 120.394 120.400 -0.055 0.000 2.148 79 K HA -0.013 4.302 4.320 -0.007 0.000 0.204 79 K C 2.053 178.573 176.600 -0.133 0.000 1.050 79 K CA 0.858 57.079 56.287 -0.110 0.000 0.942 79 K CB -0.072 32.358 32.500 -0.116 0.000 0.724 79 K HN 0.137 nan 8.250 nan 0.000 0.446 80 I N 0.784 121.323 120.570 -0.052 0.000 2.252 80 I HA -0.276 3.890 4.170 -0.007 0.000 0.245 80 I C 2.608 178.721 176.117 -0.007 0.000 1.102 80 I CA 1.082 62.400 61.300 0.030 0.000 1.385 80 I CB -0.150 37.940 38.000 0.151 0.000 1.064 80 I HN 0.135 nan 8.210 nan 0.000 0.414 81 Q N 1.235 121.026 119.800 -0.015 0.000 2.079 81 Q HA -0.251 4.085 4.340 -0.007 0.000 0.200 81 Q C 2.017 177.949 176.000 -0.112 0.000 0.974 81 Q CA 1.817 57.601 55.803 -0.031 0.000 0.840 81 Q CB -0.214 28.517 28.738 -0.012 0.000 0.898 81 Q HN 0.470 nan 8.270 nan 0.000 0.430 82 E N -0.893 119.220 120.200 -0.145 0.000 2.058 82 E HA -0.233 4.113 4.350 -0.007 0.000 0.194 82 E C 1.715 178.125 176.600 -0.317 0.000 0.997 82 E CA 1.223 57.505 56.400 -0.197 0.000 0.801 82 E CB -0.246 29.343 29.700 -0.185 0.000 0.746 82 E HN 0.437 nan 8.360 nan 0.000 0.450 83 A N 1.451 124.020 122.820 -0.418 0.000 1.898 83 A HA -0.198 4.118 4.320 -0.007 0.000 0.216 83 A C 2.132 179.245 177.584 -0.786 0.000 1.181 83 A CA 1.655 53.281 52.037 -0.684 0.000 0.620 83 A CB -0.503 18.086 19.000 -0.685 0.000 0.819 83 A HN 0.225 nan 8.150 nan 0.000 0.442 84 K N -0.459 119.547 120.400 -0.657 0.000 2.063 84 K HA -0.226 4.090 4.320 -0.007 0.000 0.208 84 K C 1.201 177.731 176.600 -0.117 0.000 1.048 84 K CA 1.891 57.992 56.287 -0.309 0.000 0.928 84 K CB -0.213 32.297 32.500 0.016 0.000 0.713 84 K HN 0.406 nan 8.250 nan 0.000 0.442 85 D N 0.005 120.320 120.400 -0.143 0.000 2.149 85 D HA -0.098 4.538 4.640 -0.007 0.000 0.201 85 D C 1.982 178.219 176.300 -0.105 0.000 0.972 85 D CA 0.721 54.670 54.000 -0.084 0.000 0.835 85 D CB -0.055 40.695 40.800 -0.084 0.000 0.966 85 D HN 0.037 nan 8.370 nan 0.000 0.476 86 V N 0.689 120.462 119.914 -0.234 0.000 2.270 86 V HA -0.247 3.869 4.120 -0.007 0.000 0.245 86 V C 2.086 178.095 176.094 -0.143 0.000 1.043 86 V CA 1.349 63.480 62.300 -0.282 0.000 1.014 86 V CB -0.647 30.865 31.823 -0.517 0.000 0.645 86 V HN 0.126 nan 8.190 nan 0.000 0.447 87 Y N 0.529 120.833 120.300 0.006 0.000 2.293 87 Y HA -0.134 4.411 4.550 -0.008 0.000 0.291 87 Y C 2.468 178.554 175.900 0.310 0.000 1.137 87 Y CA 1.134 59.383 58.100 0.249 0.000 1.202 87 Y CB -0.595 38.044 38.460 0.299 0.000 0.990 87 Y HN 0.179 nan 8.280 nan 0.000 0.537 88 K N 0.494 121.071 120.400 0.296 0.000 2.063 88 K HA -0.206 4.109 4.320 -0.007 0.000 0.208 88 K C 1.526 178.237 176.600 0.184 0.000 1.048 88 K CA 1.785 58.206 56.287 0.222 0.000 0.928 88 K CB 0.094 32.673 32.500 0.132 0.000 0.713 88 K HN 0.286 nan 8.250 nan 0.000 0.442 89 E N -0.731 119.551 120.200 0.135 0.000 2.170 89 E HA -0.136 4.210 4.350 -0.007 0.000 0.191 89 E C 1.952 178.614 176.600 0.104 0.000 0.981 89 E CA 0.798 57.252 56.400 0.091 0.000 0.830 89 E CB -0.326 29.398 29.700 0.040 0.000 0.775 89 E HN 0.456 nan 8.360 nan 0.000 0.470 90 H N -0.318 118.760 119.070 0.014 0.000 2.389 90 H HA -0.045 4.507 4.556 -0.007 0.000 0.299 90 H C 1.217 176.418 175.328 -0.211 0.000 1.081 90 H CA 1.388 57.367 56.048 -0.115 0.000 1.345 90 H CB -0.092 29.585 29.762 -0.142 0.000 1.393 90 H HN 0.023 nan 8.280 nan 0.000 0.520 91 F N -0.131 119.856 119.950 0.062 0.000 2.746 91 F HA 0.139 4.662 4.527 -0.007 0.000 0.297 91 F C 0.765 176.568 175.800 0.004 0.000 1.113 91 F CA 0.135 58.129 58.000 -0.011 0.000 1.367 91 F CB 0.408 39.446 39.000 0.063 0.000 1.111 91 F HN -0.013 nan 8.300 nan 0.000 0.590 92 Q N 1.308 121.213 119.800 0.175 0.000 2.475 92 Q HA -0.256 4.080 4.340 -0.007 0.000 0.280 92 Q C -1.012 175.068 176.000 0.134 0.000 1.234 92 Q CA 1.297 57.171 55.803 0.119 0.000 0.873 92 Q CB -1.712 27.065 28.738 0.064 0.000 1.256 92 Q HN 0.561 nan 8.270 nan 0.000 0.475 93 D N -1.281 119.229 120.400 0.183 0.000 2.720 93 D HA 0.171 4.806 4.640 -0.007 0.000 0.239 93 D C -1.292 175.105 176.300 0.161 0.000 1.218 93 D CA -0.490 53.596 54.000 0.142 0.000 0.748 93 D CB 0.858 41.727 40.800 0.114 0.000 1.387 93 D HN -0.151 nan 8.370 nan 0.000 0.438 94 D N 2.294 122.767 120.400 0.122 0.000 3.057 94 D HA 0.076 4.712 4.640 -0.007 0.000 0.246 94 D C 1.019 177.392 176.300 0.122 0.000 1.238 94 D CA 0.098 54.185 54.000 0.146 0.000 0.949 94 D CB 0.722 41.597 40.800 0.124 0.000 1.086 94 D HN 0.121 nan 8.370 nan 0.000 0.487 95 V N 0.959 120.914 119.914 0.069 0.000 3.129 95 V HA -0.006 4.110 4.120 -0.007 0.000 0.259 95 V C 0.661 176.818 176.094 0.105 0.000 1.116 95 V CA 0.095 62.389 62.300 -0.010 0.000 1.127 95 V CB -0.507 31.155 31.823 -0.268 0.000 0.742 95 V HN 0.180 nan 8.190 nan 0.000 0.474 96 F N 2.222 122.176 119.950 0.006 0.000 2.608 96 F HA 0.166 4.688 4.527 -0.008 0.000 0.380 96 F C 0.658 176.427 175.800 -0.052 0.000 1.083 96 F CA -0.173 57.841 58.000 0.023 0.000 1.266 96 F CB 0.090 39.195 39.000 0.176 0.000 1.076 96 F HN 0.119 nan 8.300 nan 0.000 0.574 97 N N 5.312 123.343 118.700 -1.116 0.000 2.819 97 N HA -0.035 4.701 4.740 -0.007 0.000 0.284 97 N C 1.073 175.831 175.510 -1.252 0.000 1.196 97 N CA 0.321 52.547 53.050 -1.373 0.000 1.114 97 N CB -0.288 36.944 38.487 -2.093 0.000 1.437 97 N HN 0.892 nan 8.380 nan 0.000 0.518 98 E N 1.904 121.609 120.200 -0.824 0.000 2.077 98 E HA -0.181 4.165 4.350 -0.007 0.000 0.193 98 E C 0.994 177.497 176.600 -0.163 0.000 0.989 98 E CA 1.127 57.329 56.400 -0.329 0.000 0.800 98 E CB 0.287 30.005 29.700 0.029 0.000 0.746 98 E HN 0.465 nan 8.360 nan 0.000 0.452 99 K N -0.399 119.885 120.400 -0.194 0.000 2.057 99 K HA -0.090 4.226 4.320 -0.007 0.000 0.207 99 K C 2.152 178.699 176.600 -0.089 0.000 1.049 99 K CA 1.046 57.279 56.287 -0.090 0.000 0.931 99 K CB -0.261 32.194 32.500 -0.076 0.000 0.714 99 K HN 0.196 nan 8.250 nan 0.000 0.440 100 G N 0.372 108.980 108.800 -0.320 0.000 2.418 100 G HA2 -0.238 3.718 3.960 -0.007 0.000 0.217 100 G HA3 -0.238 3.718 3.960 -0.007 0.000 0.217 100 G C 1.050 175.923 174.900 -0.046 0.000 1.158 100 G CA 0.628 45.553 45.100 -0.292 0.000 0.771 100 G HN 0.359 nan 8.290 nan 0.000 0.545 101 W N 0.817 122.037 121.300 -0.134 0.000 2.436 101 W HA 0.097 4.752 4.660 -0.008 0.000 0.284 101 W C 2.550 179.119 176.519 0.082 0.000 1.225 101 W CA 0.306 57.661 57.345 0.017 0.000 1.271 101 W CB 0.041 29.458 29.460 -0.073 0.000 1.114 101 W HN 0.088 nan 8.180 nan 0.000 0.559 102 N N -0.309 118.548 118.700 0.262 0.000 2.166 102 N HA -0.241 4.495 4.740 -0.007 0.000 0.186 102 N C 1.439 177.063 175.510 0.191 0.000 1.019 102 N CA 1.424 54.592 53.050 0.197 0.000 0.856 102 N CB -0.865 37.704 38.487 0.137 0.000 0.993 102 N HN 0.238 nan 8.380 nan 0.000 0.426 103 Y N 1.840 122.194 120.300 0.091 0.000 2.128 103 Y HA -0.147 4.399 4.550 -0.007 0.000 0.284 103 Y C 2.249 178.231 175.900 0.136 0.000 1.154 103 Y CA 1.467 59.620 58.100 0.088 0.000 1.149 103 Y CB -0.438 38.071 38.460 0.082 0.000 0.976 103 Y HN -0.027 nan 8.280 nan 0.000 0.505 104 I N -0.670 120.028 120.570 0.214 0.000 2.179 104 I HA -0.297 3.869 4.170 -0.007 0.000 0.242 104 I C 2.331 178.551 176.117 0.172 0.000 1.088 104 I CA 1.319 62.745 61.300 0.209 0.000 1.357 104 I CB -0.523 37.605 38.000 0.213 0.000 1.051 104 I HN 0.315 nan 8.210 nan 0.000 0.409 105 L N 0.674 122.002 121.223 0.175 0.000 2.017 105 L HA -0.208 4.128 4.340 -0.007 0.000 0.208 105 L C 2.482 179.381 176.870 0.049 0.000 1.073 105 L CA 1.966 56.888 54.840 0.137 0.000 0.745 105 L CB -0.643 41.503 42.059 0.146 0.000 0.894 105 L HN 0.163 nan 8.230 nan 0.000 0.432 106 E N -0.264 119.928 120.200 -0.013 0.000 2.046 106 E HA -0.221 4.124 4.350 -0.007 0.000 0.190 106 E C 2.209 178.695 176.600 -0.190 0.000 0.982 106 E CA 1.199 57.553 56.400 -0.077 0.000 0.800 106 E CB -0.188 29.473 29.700 -0.065 0.000 0.756 106 E HN 0.365 nan 8.360 nan 0.000 0.449 107 K N -0.127 120.049 120.400 -0.374 0.000 2.116 107 K HA -0.068 4.248 4.320 -0.007 0.000 0.203 107 K C 0.988 177.193 176.600 -0.658 0.000 1.052 107 K CA 0.997 56.901 56.287 -0.638 0.000 0.952 107 K CB -0.018 31.798 32.500 -1.140 0.000 0.729 107 K HN 0.072 nan 8.250 nan 0.000 0.446 108 Y N -0.162 120.047 120.300 -0.152 0.000 2.557 108 Y HA 0.227 4.773 4.550 -0.007 0.000 0.247 108 Y C -0.377 175.515 175.900 -0.013 0.000 1.164 108 Y CA -0.361 57.691 58.100 -0.080 0.000 1.218 108 Y CB 0.530 38.970 38.460 -0.034 0.000 1.210 108 Y HN 0.107 nan 8.280 nan 0.000 0.529 109 D N 0.887 121.350 120.400 0.106 0.000 2.723 109 D HA -0.181 4.455 4.640 -0.007 0.000 0.236 109 D C 1.274 177.773 176.300 0.331 0.000 1.138 109 D CA 1.411 55.502 54.000 0.152 0.000 0.676 109 D CB -1.130 39.713 40.800 0.070 0.000 1.069 109 D HN 0.704 nan 8.370 nan 0.000 0.430 110 G N -0.362 108.607 108.800 0.282 0.000 2.153 110 G HA2 -0.346 3.610 3.960 -0.007 0.000 0.252 110 G HA3 -0.346 3.610 3.960 -0.007 0.000 0.252 110 G C 0.101 175.145 174.900 0.241 0.000 0.994 110 G CA 0.525 45.777 45.100 0.254 0.000 0.698 110 G HN 0.705 nan 8.290 nan 0.000 0.521 111 H N -0.698 118.457 119.070 0.141 0.000 2.502 111 H HA 0.593 5.145 4.556 -0.007 0.000 0.327 111 H C 0.889 176.245 175.328 0.047 0.000 1.099 111 H CA -0.657 55.454 56.048 0.104 0.000 1.323 111 H CB 0.948 30.750 29.762 0.067 0.000 1.450 111 H HN 0.206 nan 8.280 nan 0.000 0.502 112 L N 5.512 126.834 121.223 0.165 0.000 2.369 112 L HA 0.199 4.534 4.340 -0.007 0.000 0.279 112 L C -1.801 175.037 176.870 -0.053 0.000 1.108 112 L CA -1.799 53.086 54.840 0.074 0.000 0.852 112 L CB 0.553 42.723 42.059 0.185 0.000 1.169 112 L HN 0.487 nan 8.230 nan 0.000 0.452 113 P HA 0.167 nan 4.420 nan 0.000 0.241 113 P C -0.673 176.527 177.300 -0.167 0.000 1.760 113 P CA 0.224 63.085 63.100 -0.398 0.000 1.081 113 P CB 0.043 31.337 31.700 -0.677 0.000 1.975 114 I N 1.156 121.728 120.570 0.003 0.000 2.619 114 I HA 0.346 4.512 4.170 -0.007 0.000 0.292 114 I C 0.098 176.341 176.117 0.210 0.000 1.100 114 I CA -0.844 60.523 61.300 0.112 0.000 1.043 114 I CB 3.003 41.102 38.000 0.166 0.000 1.239 114 I HN 0.152 nan 8.210 nan 0.000 0.420 115 E N 6.338 126.640 120.200 0.170 0.000 2.176 115 E HA 0.605 4.950 4.350 -0.007 0.000 0.267 115 E C -1.461 175.263 176.600 0.207 0.000 0.893 115 E CA -0.550 55.964 56.400 0.189 0.000 0.761 115 E CB 1.911 31.684 29.700 0.122 0.000 1.133 115 E HN 0.446 nan 8.360 nan 0.000 0.409 116 I N 4.389 125.110 120.570 0.251 0.000 2.389 116 I HA 0.320 4.486 4.170 -0.007 0.000 0.288 116 I C -0.357 175.871 176.117 0.185 0.000 0.999 116 I CA -0.736 60.687 61.300 0.204 0.000 1.129 116 I CB 1.641 39.730 38.000 0.149 0.000 1.288 116 I HN 0.250 nan 8.210 nan 0.000 0.444 117 K N 5.304 125.807 120.400 0.171 0.000 2.182 117 K HA 0.875 5.190 4.320 -0.007 0.000 0.262 117 K C -0.796 175.904 176.600 0.166 0.000 0.957 117 K CA -0.603 55.775 56.287 0.151 0.000 0.842 117 K CB 2.500 35.069 32.500 0.115 0.000 1.099 117 K HN 0.687 nan 8.250 nan 0.000 0.438 118 A N 1.412 124.316 122.820 0.140 0.000 2.539 118 A HA 0.517 4.833 4.320 -0.007 0.000 0.296 118 A C -0.537 177.031 177.584 -0.026 0.000 1.073 118 A CA -0.901 51.175 52.037 0.065 0.000 0.700 118 A CB 1.007 20.089 19.000 0.137 0.000 1.296 118 A HN 0.510 nan 8.150 nan 0.000 0.405 119 V N -0.816 118.931 119.914 -0.278 0.000 2.843 119 V HA 0.431 4.547 4.120 -0.007 0.000 0.305 119 V C -2.533 173.368 176.094 -0.321 0.000 1.065 119 V CA -1.443 60.665 62.300 -0.321 0.000 1.116 119 V CB -0.236 31.355 31.823 -0.388 0.000 0.968 119 V HN 0.662 nan 8.190 nan 0.000 0.487 120 P HA 0.128 nan 4.420 nan 0.000 0.266 120 P C -0.115 176.866 177.300 -0.531 0.000 1.195 120 P CA 0.112 62.661 63.100 -0.919 0.000 0.768 120 P CB 0.252 31.157 31.700 -1.326 0.000 0.838 121 E N 1.544 121.425 120.200 -0.532 0.000 2.413 121 E HA 0.194 4.540 4.350 -0.007 0.000 0.263 121 E C 1.318 177.903 176.600 -0.026 0.000 1.015 121 E CA 0.877 57.251 56.400 -0.042 0.000 0.916 121 E CB 0.019 29.760 29.700 0.068 0.000 0.947 121 E HN 0.796 nan 8.360 nan 0.000 0.440 122 G N 2.543 111.398 108.800 0.091 0.000 2.253 122 G HA2 -0.292 3.664 3.960 -0.007 0.000 0.251 122 G HA3 -0.292 3.664 3.960 -0.007 0.000 0.251 122 G C 0.073 175.067 174.900 0.158 0.000 0.998 122 G CA -0.261 44.860 45.100 0.036 0.000 0.621 122 G HN 0.432 nan 8.290 nan 0.000 0.524 123 F N 1.090 121.031 119.950 -0.014 0.000 2.607 123 F HA 0.426 4.948 4.527 -0.007 0.000 0.374 123 F C 1.042 176.837 175.800 -0.009 0.000 1.104 123 F CA -0.275 57.719 58.000 -0.010 0.000 1.296 123 F CB 1.199 40.184 39.000 -0.025 0.000 1.085 123 F HN -0.005 nan 8.300 nan 0.000 0.584 124 V N 6.483 126.385 119.914 -0.020 0.000 2.333 124 V HA 0.304 4.420 4.120 -0.007 0.000 0.274 124 V C 0.021 176.050 176.094 -0.110 0.000 1.028 124 V CA -0.536 61.748 62.300 -0.027 0.000 0.851 124 V CB 0.733 32.535 31.823 -0.034 0.000 1.000 124 V HN 0.327 nan 8.190 nan 0.000 0.456 125 I N 6.749 127.246 120.570 -0.122 0.000 2.465 125 I HA 0.476 4.642 4.170 -0.007 0.000 0.291 125 I C -2.508 173.553 176.117 -0.093 0.000 1.014 125 I CA -2.724 58.396 61.300 -0.299 0.000 1.093 125 I CB 1.967 39.768 38.000 -0.331 0.000 1.267 125 I HN 0.330 nan 8.210 nan 0.000 0.431 126 P HA 0.108 nan 4.420 nan 0.000 0.268 126 P C -0.004 177.313 177.300 0.029 0.000 1.208 126 P CA -0.291 62.830 63.100 0.036 0.000 0.777 126 P CB 0.449 32.200 31.700 0.085 0.000 0.875 127 R N 1.550 122.081 120.500 0.051 0.000 2.811 127 R HA 0.220 4.556 4.340 -0.007 0.000 0.265 127 R C 1.386 177.708 176.300 0.037 0.000 1.026 127 R CA 1.060 57.189 56.100 0.048 0.000 1.142 127 R CB -0.949 29.385 30.300 0.057 0.000 1.027 127 R HN 0.915 nan 8.270 nan 0.000 0.465 128 G N 1.256 110.074 108.800 0.029 0.000 2.147 128 G HA2 -0.295 3.660 3.960 -0.007 0.000 0.244 128 G HA3 -0.295 3.660 3.960 -0.007 0.000 0.244 128 G C -0.260 174.656 174.900 0.028 0.000 1.005 128 G CA 0.328 45.445 45.100 0.029 0.000 0.713 128 G HN 0.639 nan 8.290 nan 0.000 0.515 129 N N -1.380 117.334 118.700 0.023 0.000 2.319 129 N HA 0.540 5.276 4.740 -0.007 0.000 0.305 129 N C -0.033 175.489 175.510 0.021 0.000 1.103 129 N CA -0.544 52.511 53.050 0.009 0.000 0.815 129 N CB 2.624 41.099 38.487 -0.019 0.000 1.288 129 N HN 0.236 nan 8.380 nan 0.000 0.493 130 V N 3.299 123.217 119.914 0.007 0.000 2.540 130 V HA 0.035 4.151 4.120 -0.007 0.000 0.297 130 V C 0.483 176.565 176.094 -0.020 0.000 1.024 130 V CA 0.747 63.067 62.300 0.034 0.000 1.105 130 V CB -0.316 31.492 31.823 -0.025 0.000 0.938 130 V HN 0.641 nan 8.190 nan 0.000 0.482 131 L N 6.726 127.943 121.223 -0.009 0.000 2.445 131 L HA 0.403 4.739 4.340 -0.007 0.000 0.207 131 L C 0.215 176.994 176.870 -0.152 0.000 1.053 131 L CA 0.304 55.055 54.840 -0.147 0.000 0.841 131 L CB 0.096 42.179 42.059 0.040 0.000 1.074 131 L HN 0.751 nan 8.230 nan 0.000 0.479 132 F N -1.435 118.510 119.950 -0.009 0.000 2.668 132 F HA 0.664 5.187 4.527 -0.007 0.000 0.309 132 F C -0.638 175.195 175.800 0.056 0.000 1.117 132 F CA -1.028 56.972 58.000 0.001 0.000 0.951 132 F CB 1.141 40.164 39.000 0.038 0.000 1.323 132 F HN -0.193 nan 8.300 nan 0.000 0.451 133 T N -0.254 114.436 114.554 0.227 0.000 2.907 133 T HA 0.844 5.190 4.350 -0.007 0.000 0.292 133 T C -1.454 173.292 174.700 0.077 0.000 1.043 133 T CA -0.838 61.252 62.100 -0.017 0.000 1.003 133 T CB 1.682 70.429 68.868 -0.202 0.000 1.084 133 T HN 0.814 nan 8.240 nan 0.000 0.483 134 V N 2.349 122.220 119.914 -0.071 0.000 2.709 134 V HA 0.744 4.860 4.120 -0.007 0.000 0.308 134 V C -0.560 175.519 176.094 -0.024 0.000 1.062 134 V CA -0.851 61.497 62.300 0.080 0.000 0.901 134 V CB 1.501 33.514 31.823 0.318 0.000 1.003 134 V HN 1.172 nan 8.190 nan 0.000 0.425 135 E N 3.007 123.253 120.200 0.078 0.000 2.390 135 E HA 0.434 4.780 4.350 -0.007 0.000 0.277 135 E C -1.476 175.178 176.600 0.090 0.000 0.939 135 E CA -1.012 55.466 56.400 0.131 0.000 0.769 135 E CB 2.100 31.965 29.700 0.275 0.000 1.251 135 E HN 0.628 nan 8.360 nan 0.000 0.450 136 N N 1.069 119.798 118.700 0.048 0.000 2.530 136 N HA 0.020 4.755 4.740 -0.007 0.000 0.273 136 N C 0.489 176.002 175.510 0.004 0.000 1.173 136 N CA 0.067 53.098 53.050 -0.031 0.000 0.967 136 N CB 1.400 39.816 38.487 -0.118 0.000 1.109 136 N HN 0.687 nan 8.380 nan 0.000 0.453 137 T N -3.507 111.027 114.554 -0.033 0.000 3.069 137 T HA 0.063 4.409 4.350 -0.007 0.000 0.252 137 T C -0.119 174.588 174.700 0.012 0.000 1.053 137 T CA -0.124 61.973 62.100 -0.004 0.000 0.964 137 T CB 0.022 68.876 68.868 -0.024 0.000 1.005 137 T HN 0.549 nan 8.240 nan 0.000 0.532 138 D N 1.119 121.516 120.400 -0.006 0.000 2.629 138 D HA 0.363 4.999 4.640 -0.007 0.000 0.250 138 D C -2.251 174.073 176.300 0.039 0.000 1.126 138 D CA -2.326 51.720 54.000 0.076 0.000 0.852 138 D CB 2.718 43.630 40.800 0.187 0.000 1.335 138 D HN -0.212 nan 8.370 nan 0.000 0.518 139 P HA -0.114 nan 4.420 nan 0.000 0.217 139 P C 0.943 178.295 177.300 0.087 0.000 1.148 139 P CA 0.914 64.047 63.100 0.055 0.000 0.828 139 P CB 0.470 32.193 31.700 0.039 0.000 0.783 140 E N -1.322 118.888 120.200 0.016 0.000 2.268 140 E HA -0.095 4.251 4.350 -0.007 0.000 0.195 140 E C 0.710 177.293 176.600 -0.028 0.000 0.995 140 E CA 0.868 57.235 56.400 -0.054 0.000 0.836 140 E CB -0.501 28.888 29.700 -0.518 0.000 0.763 140 E HN 0.284 nan 8.360 nan 0.000 0.491 141 C N 1.667 120.846 119.300 -0.201 0.000 2.470 141 C HA 0.158 4.613 4.460 -0.007 0.000 0.311 141 C C 1.771 176.300 174.990 -0.769 0.000 1.387 141 C CA -1.085 57.487 59.018 -0.744 0.000 1.783 141 C CB -2.248 25.111 27.740 -0.635 0.000 2.416 141 C HN 0.465 nan 8.230 nan 0.000 0.558 142 Y N 0.062 120.143 120.300 -0.365 0.000 2.241 142 Y HA -0.202 4.343 4.550 -0.007 0.000 0.286 142 Y C 2.170 177.909 175.900 -0.269 0.000 1.166 142 Y CA 1.585 59.532 58.100 -0.256 0.000 1.203 142 Y CB -0.853 37.513 38.460 -0.157 0.000 0.977 142 Y HN 0.632 nan 8.280 nan 0.000 0.529 143 W N 0.134 120.906 121.300 -0.880 0.000 2.800 143 W HA 0.092 4.747 4.660 -0.008 0.000 0.249 143 W C 1.184 177.636 176.519 -0.113 0.000 1.294 143 W CA 0.144 57.219 57.345 -0.451 0.000 1.402 143 W CB -0.823 28.315 29.460 -0.537 0.000 1.126 143 W HN 0.257 nan 8.180 nan 0.000 0.652 144 L N 2.474 123.197 121.223 -0.834 0.000 2.240 144 L HA -0.017 4.319 4.340 -0.007 0.000 0.211 144 L C 2.361 179.176 176.870 -0.093 0.000 1.106 144 L CA 2.199 56.636 54.840 -0.672 0.000 0.793 144 L CB -0.951 40.407 42.059 -1.168 0.000 0.927 144 L HN -0.192 nan 8.230 nan 0.000 0.446 145 T N 0.159 114.682 114.554 -0.053 0.000 2.635 145 T HA -0.195 4.151 4.350 -0.007 0.000 0.267 145 T C 1.566 176.436 174.700 0.285 0.000 1.040 145 T CA 2.136 64.311 62.100 0.124 0.000 1.156 145 T CB -0.329 68.612 68.868 0.122 0.000 0.863 145 T HN 0.315 nan 8.240 nan 0.000 0.430 146 N N -0.212 118.688 118.700 0.333 0.000 2.412 146 N HA 0.071 4.807 4.740 -0.007 0.000 0.184 146 N C 1.153 176.858 175.510 0.326 0.000 1.101 146 N CA -0.042 53.234 53.050 0.377 0.000 0.881 146 N CB -0.115 38.635 38.487 0.439 0.000 0.969 146 N HN 0.460 nan 8.380 nan 0.000 0.459 147 W N 1.799 123.226 121.300 0.213 0.000 2.355 147 W HA -0.088 4.570 4.660 -0.004 0.000 0.309 147 W C 1.072 177.681 176.519 0.150 0.000 1.206 147 W CA 1.078 58.567 57.345 0.240 0.000 1.284 147 W CB -0.129 29.553 29.460 0.371 0.000 1.145 147 W HN 0.065 nan 8.180 nan 0.000 0.502 148 I N -0.958 119.841 120.570 0.382 0.000 3.735 148 I HA 0.047 4.213 4.170 -0.007 0.000 0.310 148 I C 1.854 177.931 176.117 -0.067 0.000 1.270 148 I CA 0.719 62.140 61.300 0.203 0.000 1.207 148 I CB -0.689 37.420 38.000 0.182 0.000 1.013 148 I HN -0.025 nan 8.210 nan 0.000 0.452 149 E N 2.230 122.293 120.200 -0.228 0.000 2.049 149 E HA -0.244 4.101 4.350 -0.007 0.000 0.198 149 E C 1.816 178.209 176.600 -0.345 0.000 1.007 149 E CA 2.730 58.707 56.400 -0.705 0.000 0.809 149 E CB -0.095 29.243 29.700 -0.604 0.000 0.749 149 E HN 0.587 nan 8.360 nan 0.000 0.450 150 T N 1.335 115.804 114.554 -0.142 0.000 2.684 150 T HA -0.183 4.163 4.350 -0.007 0.000 0.267 150 T C 1.973 176.663 174.700 -0.017 0.000 1.036 150 T CA 1.752 63.827 62.100 -0.041 0.000 1.148 150 T CB -0.331 68.521 68.868 -0.026 0.000 0.863 150 T HN 0.212 nan 8.240 nan 0.000 0.436 151 I N 0.654 121.203 120.570 -0.035 0.000 2.179 151 I HA -0.128 4.037 4.170 -0.007 0.000 0.242 151 I C 2.298 178.389 176.117 -0.043 0.000 1.088 151 I CA 1.307 62.578 61.300 -0.048 0.000 1.357 151 I CB -0.418 37.561 38.000 -0.036 0.000 1.051 151 I HN 0.175 nan 8.210 nan 0.000 0.409 152 L N -0.372 120.817 121.223 -0.056 0.000 2.156 152 L HA -0.112 4.224 4.340 -0.007 0.000 0.208 152 L C 2.469 179.407 176.870 0.113 0.000 1.095 152 L CA 0.531 55.355 54.840 -0.027 0.000 0.770 152 L CB -0.422 41.656 42.059 0.032 0.000 0.914 152 L HN 0.062 nan 8.230 nan 0.000 0.439 153 V N -0.325 119.682 119.914 0.156 0.000 2.626 153 V HA -0.259 3.857 4.120 -0.007 0.000 0.252 153 V C 2.294 178.647 176.094 0.432 0.000 1.067 153 V CA 1.405 63.933 62.300 0.379 0.000 1.081 153 V CB -0.471 31.546 31.823 0.324 0.000 0.686 153 V HN 0.517 nan 8.190 nan 0.000 0.468 154 Q N 0.204 120.156 119.800 0.255 0.000 2.439 154 Q HA -0.149 4.186 4.340 -0.007 0.000 0.211 154 Q C 2.291 178.263 176.000 -0.046 0.000 0.978 154 Q CA 1.389 57.294 55.803 0.170 0.000 0.897 154 Q CB -0.240 28.538 28.738 0.065 0.000 0.956 154 Q HN 0.833 nan 8.270 nan 0.000 0.483 155 S N 0.549 116.242 115.700 -0.013 0.000 2.469 155 S HA -0.150 4.316 4.470 -0.007 0.000 0.238 155 S C 1.593 176.170 174.600 -0.040 0.000 0.998 155 S CA 0.505 58.626 58.200 -0.132 0.000 0.957 155 S CB -0.788 62.275 63.200 -0.229 0.000 0.764 155 S HN 0.694 nan 8.310 nan 0.000 0.514 156 W N 1.000 122.403 121.300 0.171 0.000 2.308 156 W HA -0.284 4.375 4.660 -0.002 0.000 0.301 156 W C 1.832 178.462 176.519 0.185 0.000 1.220 156 W CA 1.024 58.534 57.345 0.274 0.000 1.240 156 W CB -1.162 28.481 29.460 0.304 0.000 1.142 156 W HN 0.403 nan 8.180 nan 0.000 0.521 157 Y N 4.040 123.657 120.300 -1.139 0.000 2.130 157 Y HA -0.069 4.476 4.550 -0.007 0.000 0.287 157 Y C -0.103 175.493 175.900 -0.507 0.000 1.124 157 Y CA 2.059 59.349 58.100 -1.349 0.000 1.118 157 Y CB -1.901 35.641 38.460 -1.530 0.000 0.994 157 Y HN -0.235 nan 8.280 nan 0.000 0.497 158 P HA -0.171 nan 4.420 nan 0.000 0.218 158 P C 1.740 178.933 177.300 -0.178 0.000 1.149 158 P CA 1.864 64.740 63.100 -0.373 0.000 0.817 158 P CB -0.128 31.385 31.700 -0.311 0.000 0.785 159 I N -0.195 120.292 120.570 -0.137 0.000 2.179 159 I HA -0.204 3.962 4.170 -0.007 0.000 0.242 159 I C 2.298 178.425 176.117 0.018 0.000 1.088 159 I CA 1.808 63.109 61.300 0.002 0.000 1.357 159 I CB -1.090 36.991 38.000 0.135 0.000 1.051 159 I HN -0.012 nan 8.210 nan 0.000 0.409 160 T N 0.173 114.733 114.554 0.010 0.000 2.812 160 T HA -0.091 4.254 4.350 -0.007 0.000 0.264 160 T C 2.002 176.660 174.700 -0.070 0.000 1.042 160 T CA 1.061 63.180 62.100 0.032 0.000 1.140 160 T CB -0.220 68.792 68.868 0.240 0.000 0.870 160 T HN 0.085 nan 8.240 nan 0.000 0.445 161 V N 1.878 121.654 119.914 -0.230 0.000 2.295 161 V HA -0.170 3.945 4.120 -0.007 0.000 0.246 161 V C 2.934 178.977 176.094 -0.085 0.000 1.049 161 V CA 1.763 63.931 62.300 -0.220 0.000 1.024 161 V CB -1.247 30.307 31.823 -0.448 0.000 0.648 161 V HN 0.523 nan 8.190 nan 0.000 0.447 162 A N -0.316 122.452 122.820 -0.088 0.000 1.902 162 A HA -0.230 4.086 4.320 -0.007 0.000 0.217 162 A C 2.395 179.972 177.584 -0.011 0.000 1.181 162 A CA 2.585 54.582 52.037 -0.067 0.000 0.623 162 A CB -0.952 17.995 19.000 -0.088 0.000 0.818 162 A HN 0.520 nan 8.150 nan 0.000 0.443 163 T N -0.038 114.529 114.554 0.023 0.000 2.701 163 T HA -0.135 4.211 4.350 -0.007 0.000 0.263 163 T C 1.967 176.755 174.700 0.147 0.000 1.040 163 T CA 1.616 63.764 62.100 0.080 0.000 1.147 163 T CB -0.429 68.493 68.868 0.089 0.000 0.865 163 T HN 0.647 nan 8.240 nan 0.000 0.426 164 N N 0.801 119.580 118.700 0.131 0.000 2.166 164 N HA -0.083 4.653 4.740 -0.007 0.000 0.186 164 N C 2.005 177.627 175.510 0.186 0.000 1.019 164 N CA 1.453 54.638 53.050 0.226 0.000 0.856 164 N CB -0.380 38.187 38.487 0.134 0.000 0.993 164 N HN 0.216 nan 8.380 nan 0.000 0.426 165 S N -0.103 115.690 115.700 0.155 0.000 2.368 165 S HA -0.119 4.347 4.470 -0.007 0.000 0.225 165 S C 2.014 176.765 174.600 0.251 0.000 1.030 165 S CA 1.091 59.439 58.200 0.245 0.000 0.999 165 S CB -0.338 63.037 63.200 0.292 0.000 0.844 165 S HN 0.418 nan 8.310 nan 0.000 0.459 166 R N 0.352 120.919 120.500 0.112 0.000 2.092 166 R HA -0.021 4.315 4.340 -0.007 0.000 0.231 166 R C 2.090 178.425 176.300 0.058 0.000 1.119 166 R CA 1.435 57.551 56.100 0.026 0.000 0.970 166 R CB -0.183 30.102 30.300 -0.024 0.000 0.864 166 R HN 0.353 nan 8.270 nan 0.000 0.440 167 E N 0.667 120.928 120.200 0.102 0.000 2.153 167 E HA -0.206 4.140 4.350 -0.007 0.000 0.194 167 E C 1.938 178.574 176.600 0.060 0.000 0.988 167 E CA 1.212 57.653 56.400 0.069 0.000 0.811 167 E CB -0.019 29.727 29.700 0.076 0.000 0.746 167 E HN 0.531 nan 8.360 nan 0.000 0.466 168 Q N 0.310 120.174 119.800 0.107 0.000 2.123 168 Q HA -0.081 4.255 4.340 -0.007 0.000 0.199 168 Q C 2.190 178.286 176.000 0.160 0.000 0.966 168 Q CA 0.979 56.837 55.803 0.092 0.000 0.845 168 Q CB -0.039 28.746 28.738 0.079 0.000 0.907 168 Q HN 0.090 nan 8.270 nan 0.000 0.439 169 K N 1.235 121.789 120.400 0.257 0.000 2.097 169 K HA -0.178 4.138 4.320 -0.007 0.000 0.206 169 K C 1.801 178.443 176.600 0.069 0.000 1.049 169 K CA 1.175 57.585 56.287 0.205 0.000 0.933 169 K CB 0.138 32.555 32.500 -0.139 0.000 0.717 169 K HN 0.015 nan 8.250 nan 0.000 0.442 170 K N 0.425 120.847 120.400 0.036 0.000 2.063 170 K HA -0.142 4.174 4.320 -0.007 0.000 0.208 170 K C 2.113 178.746 176.600 0.054 0.000 1.048 170 K CA 1.735 58.034 56.287 0.020 0.000 0.928 170 K CB -0.171 32.332 32.500 0.005 0.000 0.713 170 K HN 0.187 nan 8.250 nan 0.000 0.442 171 I N 1.047 121.660 120.570 0.072 0.000 2.179 171 I HA -0.298 3.867 4.170 -0.007 0.000 0.242 171 I C 2.229 178.456 176.117 0.183 0.000 1.088 171 I CA 1.187 62.561 61.300 0.122 0.000 1.357 171 I CB -0.256 37.767 38.000 0.038 0.000 1.051 171 I HN 0.106 nan 8.210 nan 0.000 0.409 172 L N 0.487 121.785 121.223 0.125 0.000 2.046 172 L HA -0.226 4.110 4.340 -0.007 0.000 0.208 172 L C 2.844 179.808 176.870 0.156 0.000 1.077 172 L CA 1.448 56.381 54.840 0.154 0.000 0.747 172 L CB -0.726 41.447 42.059 0.189 0.000 0.896 172 L HN 0.258 nan 8.230 nan 0.000 0.432 173 A N -0.061 122.822 122.820 0.105 0.000 1.902 173 A HA -0.267 4.049 4.320 -0.007 0.000 0.217 173 A C 2.406 180.013 177.584 0.038 0.000 1.181 173 A CA 2.031 54.100 52.037 0.054 0.000 0.623 173 A CB -0.489 18.515 19.000 0.008 0.000 0.818 173 A HN 0.353 nan 8.150 nan 0.000 0.443 174 K N -1.698 118.727 120.400 0.042 0.000 2.032 174 K HA -0.195 4.121 4.320 -0.007 0.000 0.209 174 K C 1.785 178.311 176.600 -0.124 0.000 1.048 174 K CA 1.926 58.180 56.287 -0.055 0.000 0.927 174 K CB -0.324 32.127 32.500 -0.082 0.000 0.712 174 K HN 0.547 nan 8.250 nan 0.000 0.441 175 Y N 0.217 120.506 120.300 -0.017 0.000 2.365 175 Y HA -0.094 4.452 4.550 -0.007 0.000 0.293 175 Y C 1.988 177.855 175.900 -0.056 0.000 1.119 175 Y CA 0.454 58.535 58.100 -0.033 0.000 1.203 175 Y CB -0.074 38.383 38.460 -0.005 0.000 1.026 175 Y HN 0.072 nan 8.280 nan 0.000 0.549 176 L N -0.416 120.878 121.223 0.118 0.000 2.017 176 L HA -0.176 4.160 4.340 -0.007 0.000 0.208 176 L C 2.175 179.039 176.870 -0.009 0.000 1.073 176 L CA 1.443 56.314 54.840 0.052 0.000 0.745 176 L CB -0.925 41.178 42.059 0.072 0.000 0.894 176 L HN 0.234 nan 8.230 nan 0.000 0.432 177 L N -0.269 120.944 121.223 -0.017 0.000 2.046 177 L HA -0.218 4.118 4.340 -0.007 0.000 0.208 177 L C 2.502 179.332 176.870 -0.068 0.000 1.077 177 L CA 2.144 56.961 54.840 -0.038 0.000 0.747 177 L CB -0.719 41.316 42.059 -0.039 0.000 0.896 177 L HN 0.546 nan 8.230 nan 0.000 0.432 178 E N -1.442 118.692 120.200 -0.109 0.000 2.107 178 E HA -0.188 4.158 4.350 -0.007 0.000 0.191 178 E C 1.791 178.263 176.600 -0.213 0.000 0.982 178 E CA 1.495 57.812 56.400 -0.137 0.000 0.809 178 E CB -0.035 29.548 29.700 -0.194 0.000 0.756 178 E HN 0.665 nan 8.360 nan 0.000 0.459 179 T N -2.397 111.954 114.554 -0.338 0.000 3.057 179 T HA 0.057 4.403 4.350 -0.007 0.000 0.254 179 T C 1.727 176.256 174.700 -0.285 0.000 1.094 179 T CA 0.712 62.381 62.100 -0.719 0.000 1.088 179 T CB 0.334 68.749 68.868 -0.756 0.000 0.934 179 T HN 0.146 nan 8.240 nan 0.000 0.497 180 S N -0.572 115.059 115.700 -0.115 0.000 2.631 180 S HA 0.522 4.988 4.470 -0.007 0.000 0.246 180 S C 1.872 176.470 174.600 -0.004 0.000 1.068 180 S CA 0.634 58.819 58.200 -0.026 0.000 0.995 180 S CB 0.030 63.223 63.200 -0.013 0.000 0.944 180 S HN 1.172 nan 8.310 nan 0.000 0.529 181 G N 1.911 110.702 108.800 -0.015 0.000 2.175 181 G HA2 -0.245 3.711 3.960 -0.007 0.000 0.244 181 G HA3 -0.245 3.711 3.960 -0.007 0.000 0.244 181 G C -0.143 174.754 174.900 -0.006 0.000 0.982 181 G CA 0.427 45.524 45.100 -0.005 0.000 0.641 181 G HN 1.107 nan 8.290 nan 0.000 0.527 182 N N -1.569 117.128 118.700 -0.005 0.000 3.316 182 N HA 0.697 5.433 4.740 -0.007 0.000 0.300 182 N C 0.093 175.605 175.510 0.002 0.000 1.567 182 N CA -0.909 52.140 53.050 -0.003 0.000 0.821 182 N CB 0.398 38.886 38.487 0.002 0.000 1.748 182 N HN 0.069 nan 8.380 nan 0.000 0.603 183 L N -0.799 120.427 121.223 0.004 0.000 3.267 183 L HA 0.416 4.752 4.340 -0.007 0.000 0.289 183 L C -0.908 175.976 176.870 0.023 0.000 1.260 183 L CA -0.475 54.372 54.840 0.011 0.000 1.034 183 L CB -0.089 41.966 42.059 -0.005 0.000 1.413 183 L HN 0.456 nan 8.230 nan 0.000 0.594 184 D N 1.619 122.035 120.400 0.026 0.000 2.487 184 D HA 0.243 4.879 4.640 -0.007 0.000 0.243 184 D C 1.367 177.707 176.300 0.067 0.000 1.154 184 D CA 1.447 55.470 54.000 0.038 0.000 0.876 184 D CB 1.027 41.842 40.800 0.026 0.000 1.161 184 D HN 0.350 nan 8.370 nan 0.000 0.478 185 G N 1.898 110.761 108.800 0.105 0.000 2.155 185 G HA2 -0.349 3.606 3.960 -0.007 0.000 0.257 185 G HA3 -0.349 3.606 3.960 -0.007 0.000 0.257 185 G C 1.021 176.041 174.900 0.199 0.000 0.983 185 G CA 0.599 45.812 45.100 0.188 0.000 0.676 185 G HN 0.525 nan 8.290 nan 0.000 0.528 186 L N 1.371 122.669 121.223 0.124 0.000 2.042 186 L HA -0.027 4.309 4.340 -0.007 0.000 0.210 186 L C 2.686 179.656 176.870 0.165 0.000 1.076 186 L CA 3.015 57.930 54.840 0.126 0.000 0.749 186 L CB -0.316 41.768 42.059 0.041 0.000 0.893 186 L HN 0.525 nan 8.230 nan 0.000 0.432 187 E N -1.540 118.670 120.200 0.016 0.000 2.515 187 E HA -0.251 4.095 4.350 -0.007 0.000 0.201 187 E C 0.642 177.179 176.600 -0.104 0.000 1.071 187 E CA 1.123 57.442 56.400 -0.136 0.000 0.880 187 E CB -0.536 28.968 29.700 -0.325 0.000 0.828 187 E HN 0.689 nan 8.360 nan 0.000 0.540 188 Y N -0.005 120.443 120.300 0.247 0.000 2.612 188 Y HA 0.287 4.833 4.550 -0.007 0.000 0.250 188 Y C 1.470 177.460 175.900 0.150 0.000 1.175 188 Y CA -0.463 57.753 58.100 0.192 0.000 1.205 188 Y CB 0.860 39.391 38.460 0.118 0.000 1.201 188 Y HN -0.128 nan 8.280 nan 0.000 0.532 189 K N 0.218 120.795 120.400 0.296 0.000 2.400 189 K HA 0.174 4.489 4.320 -0.007 0.000 0.194 189 K C -0.326 176.309 176.600 0.058 0.000 1.033 189 K CA 0.339 56.746 56.287 0.201 0.000 1.021 189 K CB 0.486 33.148 32.500 0.269 0.000 0.808 189 K HN 0.136 nan 8.250 nan 0.000 0.505 190 L N 0.716 121.767 121.223 -0.286 0.000 2.415 190 L HA 0.293 4.629 4.340 -0.007 0.000 0.268 190 L C -1.419 175.226 176.870 -0.376 0.000 0.984 190 L CA -0.693 53.857 54.840 -0.483 0.000 0.853 190 L CB 1.207 42.693 42.059 -0.955 0.000 1.215 190 L HN 0.005 nan 8.230 nan 0.000 0.419 191 H N 2.503 121.346 119.070 -0.379 0.000 2.473 191 H HA 0.356 4.908 4.556 -0.007 0.000 0.327 191 H C -0.770 174.183 175.328 -0.625 0.000 1.105 191 H CA -0.247 55.554 56.048 -0.412 0.000 1.280 191 H CB 1.155 30.590 29.762 -0.545 0.000 1.450 191 H HN 0.622 nan 8.280 nan 0.000 0.492 192 D N 4.162 124.238 120.400 -0.539 0.000 2.338 192 D HA -0.029 4.607 4.640 -0.007 0.000 0.255 192 D C -0.457 175.811 176.300 -0.053 0.000 1.237 192 D CA 0.104 53.856 54.000 -0.414 0.000 0.883 192 D CB 0.058 40.674 40.800 -0.308 0.000 1.087 192 D HN 0.437 nan 8.370 nan 0.000 0.485 193 F N 1.605 121.560 119.950 0.008 0.000 2.654 193 F HA 0.316 4.838 4.527 -0.008 0.000 0.303 193 F C 2.072 177.908 175.800 0.059 0.000 1.099 193 F CA -0.686 57.356 58.000 0.069 0.000 1.270 193 F CB 0.549 39.584 39.000 0.059 0.000 1.024 193 F HN 0.504 nan 8.300 nan 0.000 0.548 194 G N -1.719 107.192 108.800 0.184 0.000 2.985 194 G HA2 -0.167 3.789 3.960 -0.007 0.000 0.209 194 G HA3 -0.167 3.789 3.960 -0.007 0.000 0.209 194 G C 1.481 176.489 174.900 0.180 0.000 1.165 194 G CA -0.002 45.180 45.100 0.136 0.000 0.776 194 G HN 0.381 nan 8.290 nan 0.000 0.541 195 Y N 1.805 122.149 120.300 0.074 0.000 2.081 195 Y HA -0.319 4.227 4.550 -0.008 0.000 0.280 195 Y C 3.057 178.981 175.900 0.041 0.000 1.163 195 Y CA 1.815 59.946 58.100 0.052 0.000 1.135 195 Y CB 0.202 38.694 38.460 0.054 0.000 0.970 195 Y HN 0.312 nan 8.280 nan 0.000 0.498 196 R N -0.295 120.334 120.500 0.216 0.000 2.235 196 R HA 0.007 4.343 4.340 -0.007 0.000 0.213 196 R C 1.844 178.199 176.300 0.092 0.000 1.059 196 R CA 1.227 57.381 56.100 0.090 0.000 0.997 196 R CB -0.627 29.691 30.300 0.029 0.000 0.884 196 R HN 0.310 nan 8.270 nan 0.000 0.462 197 G N 1.641 110.509 108.800 0.114 0.000 3.042 197 G HA2 0.169 4.124 3.960 -0.007 0.000 0.212 197 G HA3 0.169 4.124 3.960 -0.007 0.000 0.212 197 G C 0.558 175.509 174.900 0.085 0.000 1.166 197 G CA 0.247 45.401 45.100 0.089 0.000 0.767 197 G HN 0.203 nan 8.290 nan 0.000 0.546 198 V N -1.590 118.383 119.914 0.099 0.000 3.234 198 V HA 0.608 4.724 4.120 -0.007 0.000 0.317 198 V C 1.355 177.480 176.094 0.051 0.000 1.081 198 V CA 0.256 62.599 62.300 0.072 0.000 1.037 198 V CB 1.328 33.194 31.823 0.071 0.000 1.148 198 V HN 0.113 nan 8.190 nan 0.000 0.453 199 S N -0.174 115.533 115.700 0.012 0.000 2.496 199 S HA 0.224 4.690 4.470 -0.007 0.000 0.224 199 S C 0.745 175.352 174.600 0.012 0.000 0.996 199 S CA 0.367 58.570 58.200 0.004 0.000 0.927 199 S CB -0.667 62.520 63.200 -0.021 0.000 0.774 199 S HN 1.760 nan 8.310 nan 0.000 0.524 200 S N -1.008 114.705 115.700 0.022 0.000 2.611 200 S HA 0.398 4.863 4.470 -0.007 0.000 0.268 200 S C -0.007 174.641 174.600 0.080 0.000 1.156 200 S CA -0.863 57.361 58.200 0.040 0.000 0.817 200 S CB 0.923 64.134 63.200 0.018 0.000 1.122 200 S HN -0.100 nan 8.310 nan 0.000 0.466 201 Q N 0.990 120.852 119.800 0.102 0.000 2.084 201 Q HA -0.111 4.224 4.340 -0.007 0.000 0.202 201 Q C 1.784 177.829 176.000 0.075 0.000 0.978 201 Q CA 2.056 57.947 55.803 0.145 0.000 0.844 201 Q CB -0.479 28.340 28.738 0.135 0.000 0.898 201 Q HN 0.905 nan 8.270 nan 0.000 0.426 202 E N -0.213 120.019 120.200 0.054 0.000 2.077 202 E HA -0.132 4.214 4.350 -0.007 0.000 0.193 202 E C 1.737 178.324 176.600 -0.022 0.000 0.989 202 E CA 1.370 57.791 56.400 0.036 0.000 0.800 202 E CB 0.235 29.982 29.700 0.078 0.000 0.746 202 E HN 0.264 nan 8.360 nan 0.000 0.452 203 T N 0.659 115.188 114.554 -0.041 0.000 2.759 203 T HA -0.167 4.179 4.350 -0.007 0.000 0.269 203 T C 1.793 176.483 174.700 -0.017 0.000 1.042 203 T CA 1.227 63.273 62.100 -0.092 0.000 1.140 203 T CB -0.270 68.485 68.868 -0.188 0.000 0.864 203 T HN 0.318 nan 8.240 nan 0.000 0.455 204 A N 1.395 124.193 122.820 -0.037 0.000 1.883 204 A HA 0.043 4.359 4.320 -0.007 0.000 0.217 204 A C 2.626 180.089 177.584 -0.201 0.000 1.186 204 A CA 2.041 53.998 52.037 -0.133 0.000 0.624 204 A CB -1.438 17.423 19.000 -0.233 0.000 0.822 204 A HN 0.515 nan 8.150 nan 0.000 0.444 205 G N -0.025 108.669 108.800 -0.176 0.000 2.433 205 G HA2 -0.198 3.758 3.960 -0.007 0.000 0.216 205 G HA3 -0.198 3.758 3.960 -0.007 0.000 0.216 205 G C 1.542 176.334 174.900 -0.180 0.000 1.186 205 G CA 1.173 46.168 45.100 -0.175 0.000 0.779 205 G HN 0.490 nan 8.290 nan 0.000 0.543 206 I N 1.271 121.723 120.570 -0.198 0.000 2.163 206 I HA -0.111 4.055 4.170 -0.007 0.000 0.243 206 I C 3.084 179.150 176.117 -0.084 0.000 1.085 206 I CA 1.200 62.363 61.300 -0.227 0.000 1.347 206 I CB -0.544 37.335 38.000 -0.202 0.000 1.044 206 I HN 0.249 nan 8.210 nan 0.000 0.408 207 G N 0.290 109.108 108.800 0.030 0.000 2.402 207 G HA2 -0.174 3.782 3.960 -0.007 0.000 0.216 207 G HA3 -0.174 3.782 3.960 -0.007 0.000 0.216 207 G C 1.874 176.729 174.900 -0.075 0.000 1.162 207 G CA 0.759 45.823 45.100 -0.060 0.000 0.777 207 G HN 0.487 nan 8.290 nan 0.000 0.539 208 A N 1.350 124.122 122.820 -0.080 0.000 1.902 208 A HA -0.051 4.265 4.320 -0.007 0.000 0.217 208 A C 2.753 180.300 177.584 -0.062 0.000 1.181 208 A CA 2.635 54.624 52.037 -0.080 0.000 0.623 208 A CB -0.806 18.103 19.000 -0.152 0.000 0.818 208 A HN 0.765 nan 8.150 nan 0.000 0.443 209 S N 0.219 115.864 115.700 -0.091 0.000 2.382 209 S HA 0.010 4.475 4.470 -0.007 0.000 0.228 209 S C 2.087 176.651 174.600 -0.060 0.000 1.027 209 S CA 1.433 59.572 58.200 -0.103 0.000 0.991 209 S CB -0.660 62.504 63.200 -0.061 0.000 0.823 209 S HN 0.927 nan 8.310 nan 0.000 0.469 210 A N 1.602 124.408 122.820 -0.024 0.000 1.930 210 A HA -0.124 4.192 4.320 -0.007 0.000 0.217 210 A C 2.249 179.748 177.584 -0.142 0.000 1.175 210 A CA 1.497 53.443 52.037 -0.152 0.000 0.627 210 A CB -1.305 17.663 19.000 -0.053 0.000 0.815 210 A HN 0.830 nan 8.150 nan 0.000 0.443 211 H N -0.247 118.744 119.070 -0.132 0.000 2.423 211 H HA 0.053 4.605 4.556 -0.007 0.000 0.297 211 H C 1.617 176.934 175.328 -0.018 0.000 1.075 211 H CA 1.308 57.319 56.048 -0.062 0.000 1.342 211 H CB -0.039 29.678 29.762 -0.075 0.000 1.395 211 H HN 0.417 nan 8.280 nan 0.000 0.530 212 L N 0.689 121.853 121.223 -0.097 0.000 2.551 212 L HA -0.095 4.241 4.340 -0.007 0.000 0.228 212 L C 2.471 179.321 176.870 -0.032 0.000 1.153 212 L CA -0.043 54.757 54.840 -0.066 0.000 0.851 212 L CB 0.027 42.083 42.059 -0.006 0.000 0.959 212 L HN 0.123 nan 8.230 nan 0.000 0.451 213 V N 0.100 119.882 119.914 -0.221 0.000 2.490 213 V HA -0.229 3.887 4.120 -0.007 0.000 0.250 213 V C 1.837 177.660 176.094 -0.451 0.000 1.061 213 V CA 1.686 63.656 62.300 -0.551 0.000 1.064 213 V CB -0.430 30.986 31.823 -0.678 0.000 0.670 213 V HN 0.603 nan 8.190 nan 0.000 0.461 214 N N -1.968 116.489 118.700 -0.406 0.000 2.463 214 N HA 0.194 4.930 4.740 -0.007 0.000 0.183 214 N C 0.181 175.195 175.510 -0.827 0.000 1.064 214 N CA 0.381 53.092 53.050 -0.565 0.000 0.879 214 N CB 0.728 38.912 38.487 -0.506 0.000 1.148 214 N HN 0.404 nan 8.380 nan 0.000 0.451 215 F N 0.165 119.837 119.950 -0.465 0.000 2.654 215 F HA 0.435 4.958 4.527 -0.007 0.000 0.334 215 F C 1.171 176.723 175.800 -0.412 0.000 1.078 215 F CA -0.765 56.955 58.000 -0.467 0.000 0.986 215 F CB 1.877 40.534 39.000 -0.571 0.000 1.362 215 F HN -0.424 nan 8.300 nan 0.000 0.498 216 K N -0.344 119.929 120.400 -0.212 0.000 2.440 216 K HA 0.273 4.588 4.320 -0.007 0.000 0.207 216 K C 0.190 176.785 176.600 -0.009 0.000 1.112 216 K CA -0.128 56.040 56.287 -0.198 0.000 1.036 216 K CB 1.306 33.576 32.500 -0.383 0.000 0.935 216 K HN 0.678 nan 8.250 nan 0.000 0.564 217 G N 0.585 109.374 108.800 -0.019 0.000 2.319 217 G HA2 0.368 4.324 3.960 -0.007 0.000 0.308 217 G HA3 0.368 4.324 3.960 -0.007 0.000 0.308 217 G C -0.934 173.626 174.900 -0.567 0.000 1.117 217 G CA 0.002 45.063 45.100 -0.063 0.000 0.903 217 G HN -0.081 nan 8.290 nan 0.000 0.436 218 T N 0.959 115.193 114.554 -0.533 0.000 2.982 218 T HA 0.351 4.697 4.350 -0.007 0.000 0.321 218 T C -0.523 174.176 174.700 -0.002 0.000 1.229 218 T CA -0.509 61.374 62.100 -0.363 0.000 1.044 218 T CB 1.874 70.666 68.868 -0.127 0.000 1.184 218 T HN 0.282 nan 8.240 nan 0.000 0.477 219 D N 1.391 121.898 120.400 0.178 0.000 2.379 219 D HA 0.193 4.829 4.640 -0.007 0.000 0.208 219 D C 0.407 176.845 176.300 0.230 0.000 1.065 219 D CA 0.406 54.593 54.000 0.312 0.000 0.848 219 D CB 0.560 41.642 40.800 0.469 0.000 0.949 219 D HN 0.485 nan 8.370 nan 0.000 0.509 220 T N 0.954 115.563 114.554 0.091 0.000 3.176 220 T HA 0.102 4.448 4.350 -0.007 0.000 0.301 220 T C 1.706 176.307 174.700 -0.164 0.000 1.115 220 T CA -0.196 61.840 62.100 -0.107 0.000 1.027 220 T CB 0.980 69.688 68.868 -0.266 0.000 1.063 220 T HN -0.177 nan 8.240 nan 0.000 0.669 221 V N 2.150 122.071 119.914 0.012 0.000 2.392 221 V HA -0.251 3.864 4.120 -0.007 0.000 0.249 221 V C 2.805 178.867 176.094 -0.053 0.000 1.059 221 V CA 2.103 64.421 62.300 0.031 0.000 1.051 221 V CB -1.082 30.827 31.823 0.144 0.000 0.658 221 V HN 0.907 nan 8.190 nan 0.000 0.455 222 A N 0.762 123.496 122.820 -0.143 0.000 2.032 222 A HA -0.168 4.147 4.320 -0.007 0.000 0.221 222 A C 2.386 179.887 177.584 -0.138 0.000 1.165 222 A CA 1.967 53.926 52.037 -0.131 0.000 0.645 222 A CB -1.103 17.767 19.000 -0.216 0.000 0.807 222 A HN 0.569 nan 8.150 nan 0.000 0.453 223 G N -0.320 108.369 108.800 -0.185 0.000 2.443 223 G HA2 -0.091 3.865 3.960 -0.007 0.000 0.219 223 G HA3 -0.091 3.865 3.960 -0.007 0.000 0.219 223 G C 1.482 176.283 174.900 -0.164 0.000 1.131 223 G CA 0.938 45.937 45.100 -0.170 0.000 0.775 223 G HN 0.479 nan 8.290 nan 0.000 0.547 224 L N 0.566 121.704 121.223 -0.142 0.000 2.027 224 L HA -0.014 4.322 4.340 -0.007 0.000 0.206 224 L C 3.365 180.170 176.870 -0.108 0.000 1.074 224 L CA 1.127 55.880 54.840 -0.146 0.000 0.745 224 L CB -0.549 41.440 42.059 -0.117 0.000 0.898 224 L HN 0.265 nan 8.230 nan 0.000 0.433 225 A N 0.030 122.813 122.820 -0.061 0.000 1.930 225 A HA -0.180 4.136 4.320 -0.007 0.000 0.217 225 A C 2.320 179.907 177.584 0.005 0.000 1.175 225 A CA 1.406 53.425 52.037 -0.030 0.000 0.627 225 A CB -0.657 18.339 19.000 -0.007 0.000 0.815 225 A HN 0.396 nan 8.150 nan 0.000 0.443 226 L N -0.459 120.786 121.223 0.038 0.000 2.017 226 L HA -0.147 4.189 4.340 -0.007 0.000 0.208 226 L C 2.377 179.381 176.870 0.224 0.000 1.073 226 L CA 1.648 56.600 54.840 0.187 0.000 0.745 226 L CB -0.255 41.840 42.059 0.060 0.000 0.894 226 L HN 0.420 nan 8.230 nan 0.000 0.432 227 I N -0.122 120.459 120.570 0.020 0.000 2.163 227 I HA -0.308 3.858 4.170 -0.007 0.000 0.243 227 I C 2.419 178.551 176.117 0.026 0.000 1.085 227 I CA 1.178 62.446 61.300 -0.054 0.000 1.347 227 I CB -0.371 37.296 38.000 -0.555 0.000 1.044 227 I HN 0.232 nan 8.210 nan 0.000 0.408 228 K N 0.698 121.073 120.400 -0.041 0.000 2.148 228 K HA -0.177 4.139 4.320 -0.007 0.000 0.204 228 K C 2.007 178.566 176.600 -0.068 0.000 1.050 228 K CA 1.099 57.361 56.287 -0.041 0.000 0.942 228 K CB -0.278 32.187 32.500 -0.058 0.000 0.724 228 K HN 0.345 nan 8.250 nan 0.000 0.446 229 K N -0.312 120.014 120.400 -0.122 0.000 2.137 229 K HA -0.070 4.246 4.320 -0.007 0.000 0.202 229 K C 1.270 177.590 176.600 -0.467 0.000 1.052 229 K CA 1.023 57.100 56.287 -0.350 0.000 0.961 229 K CB 0.149 32.320 32.500 -0.548 0.000 0.741 229 K HN 0.035 nan 8.250 nan 0.000 0.452 230 Y N -2.023 118.245 120.300 -0.054 0.000 2.498 230 Y HA 0.137 4.683 4.550 -0.006 0.000 0.259 230 Y C 0.896 176.556 175.900 -0.400 0.000 1.086 230 Y CA 0.052 58.020 58.100 -0.219 0.000 1.287 230 Y CB 0.559 38.892 38.460 -0.211 0.000 1.146 230 Y HN 0.019 nan 8.280 nan 0.000 0.523 231 Y N -0.929 119.482 120.300 0.185 0.000 2.817 231 Y HA 0.525 5.071 4.550 -0.007 0.000 0.257 231 Y C 1.285 177.273 175.900 0.147 0.000 1.055 231 Y CA 0.067 58.294 58.100 0.212 0.000 1.319 231 Y CB 0.202 38.873 38.460 0.352 0.000 1.481 231 Y HN -0.140 nan 8.280 nan 0.000 0.471 232 G N 0.709 109.659 108.800 0.250 0.000 2.777 232 G HA2 0.090 4.046 3.960 -0.007 0.000 0.686 232 G HA3 0.090 4.046 3.960 -0.007 0.000 0.686 232 G C -0.594 174.415 174.900 0.182 0.000 1.177 232 G CA -0.121 45.065 45.100 0.143 0.000 0.775 232 G HN 0.358 nan 8.290 nan 0.000 0.613 233 T N 0.712 115.334 114.554 0.114 0.000 2.896 233 T HA 0.632 4.978 4.350 -0.007 0.000 0.297 233 T C 1.342 176.090 174.700 0.081 0.000 1.108 233 T CA -0.303 61.872 62.100 0.124 0.000 1.004 233 T CB 1.379 70.325 68.868 0.130 0.000 1.159 233 T HN 0.441 nan 8.240 nan 0.000 0.499 234 K N 1.349 121.798 120.400 0.081 0.000 2.148 234 K HA 0.039 4.355 4.320 -0.007 0.000 0.204 234 K C 0.296 176.933 176.600 0.062 0.000 1.050 234 K CA 0.928 57.252 56.287 0.063 0.000 0.942 234 K CB -0.142 32.393 32.500 0.059 0.000 0.724 234 K HN 0.625 nan 8.250 nan 0.000 0.446 235 D N 0.629 121.073 120.400 0.074 0.000 2.362 235 D HA 0.029 4.665 4.640 -0.007 0.000 0.242 235 D C -1.590 174.744 176.300 0.056 0.000 1.132 235 D CA -1.556 52.495 54.000 0.085 0.000 0.907 235 D CB 0.658 41.535 40.800 0.128 0.000 1.195 235 D HN -0.132 nan 8.370 nan 0.000 0.429 236 P HA -0.104 nan 4.420 nan 0.000 0.216 236 P C 0.127 177.420 177.300 -0.012 0.000 1.150 236 P CA 1.029 64.148 63.100 0.032 0.000 0.837 236 P CB 0.280 32.013 31.700 0.053 0.000 0.786 237 V N -5.967 113.919 119.914 -0.046 0.000 2.841 237 V HA 0.475 4.591 4.120 -0.007 0.000 0.310 237 V C -2.166 173.769 176.094 -0.265 0.000 1.090 237 V CA -2.114 60.080 62.300 -0.178 0.000 0.930 237 V CB 1.949 33.620 31.823 -0.255 0.000 1.014 237 V HN -0.219 nan 8.190 nan 0.000 0.425 238 P HA 0.224 nan 4.420 nan 0.000 0.231 238 P C 0.617 177.741 177.300 -0.294 0.000 1.168 238 P CA 1.057 64.037 63.100 -0.200 0.000 0.779 238 P CB 0.515 32.063 31.700 -0.253 0.000 0.844 239 G N -1.220 107.291 108.800 -0.482 0.000 2.612 239 G HA2 0.602 4.558 3.960 -0.007 0.000 0.298 239 G HA3 0.602 4.558 3.960 -0.007 0.000 0.298 239 G C -1.985 172.561 174.900 -0.589 0.000 1.336 239 G CA -0.421 44.436 45.100 -0.405 0.000 0.953 239 G HN -0.109 nan 8.290 nan 0.000 0.482 240 Y N -0.498 119.872 120.300 0.118 0.000 2.605 240 Y HA 0.813 5.359 4.550 -0.007 0.000 0.343 240 Y C 0.487 176.504 175.900 0.195 0.000 1.036 240 Y CA -0.829 57.363 58.100 0.153 0.000 1.065 240 Y CB 2.671 41.248 38.460 0.196 0.000 1.288 240 Y HN 0.698 nan 8.280 nan 0.000 0.481 241 S N 0.178 116.081 115.700 0.339 0.000 2.720 241 S HA 0.873 5.338 4.470 -0.007 0.000 0.287 241 S C -1.641 173.049 174.600 0.151 0.000 1.168 241 S CA -0.523 57.860 58.200 0.305 0.000 0.832 241 S CB 1.276 64.641 63.200 0.276 0.000 1.166 241 S HN 0.868 nan 8.310 nan 0.000 0.493 242 V N 0.014 119.961 119.914 0.055 0.000 3.040 242 V HA 0.811 4.927 4.120 -0.007 0.000 0.312 242 V C -2.948 173.057 176.094 -0.149 0.000 1.115 242 V CA -2.440 59.824 62.300 -0.061 0.000 0.998 242 V CB 0.546 32.308 31.823 -0.101 0.000 1.042 242 V HN 0.721 nan 8.190 nan 0.000 0.433 243 P HA 0.549 nan 4.420 nan 0.000 0.266 243 P C -0.536 176.532 177.300 -0.388 0.000 1.195 243 P CA 0.495 63.282 63.100 -0.521 0.000 0.768 243 P CB 0.657 31.621 31.700 -1.228 0.000 0.838 244 A N 1.820 124.459 122.820 -0.303 0.000 2.574 244 A HA 0.723 5.039 4.320 -0.007 0.000 0.297 244 A C -0.932 176.561 177.584 -0.151 0.000 1.062 244 A CA -0.522 51.387 52.037 -0.212 0.000 0.686 244 A CB 1.410 20.300 19.000 -0.182 0.000 1.285 244 A HN 0.537 nan 8.150 nan 0.000 0.403 245 A N 0.841 123.590 122.820 -0.118 0.000 2.286 245 A HA 0.718 5.034 4.320 -0.007 0.000 0.286 245 A C 0.192 177.700 177.584 -0.126 0.000 1.097 245 A CA 0.163 52.163 52.037 -0.061 0.000 0.821 245 A CB 0.259 19.256 19.000 -0.005 0.000 1.076 245 A HN 1.053 nan 8.150 nan 0.000 0.490 246 E N -0.179 119.966 120.200 -0.091 0.000 2.370 246 E HA 0.411 4.756 4.350 -0.007 0.000 0.259 246 E C -0.175 176.347 176.600 -0.131 0.000 0.947 246 E CA -0.822 55.484 56.400 -0.156 0.000 0.809 246 E CB 0.388 30.039 29.700 -0.083 0.000 1.300 246 E HN 0.631 nan 8.360 nan 0.000 0.419 247 H N 0.217 119.276 119.070 -0.018 0.000 2.387 247 H HA -0.122 4.430 4.556 -0.007 0.000 0.299 247 H C 2.254 177.597 175.328 0.025 0.000 1.090 247 H CA 2.147 58.185 56.048 -0.017 0.000 1.332 247 H CB 0.018 29.748 29.762 -0.054 0.000 1.386 247 H HN 0.655 nan 8.280 nan 0.000 0.516 248 S N 0.629 116.411 115.700 0.136 0.000 2.382 248 S HA -0.153 4.313 4.470 -0.007 0.000 0.228 248 S C 2.302 176.991 174.600 0.147 0.000 1.027 248 S CA 1.785 60.054 58.200 0.115 0.000 0.991 248 S CB -0.757 62.488 63.200 0.075 0.000 0.823 248 S HN 0.576 nan 8.310 nan 0.000 0.469 249 T N -0.550 114.099 114.554 0.158 0.000 3.055 249 T HA 0.224 4.570 4.350 -0.007 0.000 0.265 249 T C 1.690 176.614 174.700 0.373 0.000 1.111 249 T CA 0.417 62.665 62.100 0.247 0.000 1.118 249 T CB -0.353 68.648 68.868 0.222 0.000 0.909 249 T HN 0.335 nan 8.240 nan 0.000 0.501 250 I N 2.753 123.486 120.570 0.272 0.000 2.385 250 I HA 0.002 4.168 4.170 -0.007 0.000 0.244 250 I C 2.982 179.297 176.117 0.331 0.000 1.089 250 I CA 1.734 63.197 61.300 0.272 0.000 1.410 250 I CB -1.672 36.446 38.000 0.196 0.000 1.117 250 I HN 0.466 nan 8.210 nan 0.000 0.429 251 T N -0.018 114.686 114.554 0.250 0.000 2.915 251 T HA 0.012 4.358 4.350 -0.007 0.000 0.269 251 T C 1.991 176.850 174.700 0.265 0.000 1.071 251 T CA 0.978 63.237 62.100 0.266 0.000 1.132 251 T CB -0.437 68.528 68.868 0.161 0.000 0.878 251 T HN 0.236 nan 8.240 nan 0.000 0.479 252 A N 0.608 123.566 122.820 0.231 0.000 2.024 252 A HA 0.004 4.320 4.320 -0.007 0.000 0.220 252 A C 1.889 179.512 177.584 0.065 0.000 1.164 252 A CA 1.070 53.172 52.037 0.110 0.000 0.643 252 A CB -1.263 17.756 19.000 0.032 0.000 0.806 252 A HN 0.751 nan 8.150 nan 0.000 0.451 253 W N -0.693 120.641 121.300 0.057 0.000 2.595 253 W HA 0.352 5.008 4.660 -0.007 0.000 0.257 253 W C 1.325 177.900 176.519 0.093 0.000 1.267 253 W CA 1.334 58.701 57.345 0.037 0.000 1.300 253 W CB -0.324 29.164 29.460 0.047 0.000 1.120 253 W HN 0.665 nan 8.180 nan 0.000 0.618 254 G N 0.188 109.171 108.800 0.304 0.000 2.712 254 G HA2 -0.230 3.726 3.960 -0.007 0.000 0.686 254 G HA3 -0.230 3.726 3.960 -0.007 0.000 0.686 254 G C 0.579 175.562 174.900 0.137 0.000 1.181 254 G CA -0.312 44.923 45.100 0.225 0.000 0.762 254 G HN -0.064 nan 8.290 nan 0.000 0.641 255 K N 0.076 120.439 120.400 -0.061 0.000 2.059 255 K HA -0.152 4.164 4.320 -0.007 0.000 0.212 255 K C 1.691 178.007 176.600 -0.474 0.000 1.050 255 K CA 2.289 58.271 56.287 -0.508 0.000 0.927 255 K CB -0.203 31.996 32.500 -0.502 0.000 0.714 255 K HN 0.568 nan 8.250 nan 0.000 0.447 256 D N -0.402 119.785 120.400 -0.355 0.000 2.378 256 D HA -0.074 4.561 4.640 -0.007 0.000 0.227 256 D C 0.475 176.405 176.300 -0.618 0.000 1.012 256 D CA 0.673 54.380 54.000 -0.489 0.000 0.905 256 D CB 0.023 40.502 40.800 -0.534 0.000 0.895 256 D HN 0.351 nan 8.370 nan 0.000 0.532 257 H N -0.498 118.523 119.070 -0.082 0.000 2.492 257 H HA 0.152 4.704 4.556 -0.007 0.000 0.264 257 H C 1.203 176.447 175.328 -0.141 0.000 1.150 257 H CA -0.156 55.867 56.048 -0.042 0.000 0.962 257 H CB 0.552 30.388 29.762 0.123 0.000 1.766 257 H HN 0.248 nan 8.280 nan 0.000 0.589 258 E N 1.789 121.876 120.200 -0.187 0.000 2.077 258 E HA -0.162 4.184 4.350 -0.007 0.000 0.193 258 E C 2.152 178.265 176.600 -0.812 0.000 0.989 258 E CA 0.806 56.935 56.400 -0.452 0.000 0.800 258 E CB 0.357 29.790 29.700 -0.445 0.000 0.746 258 E HN 0.241 nan 8.360 nan 0.000 0.452 259 K N 0.407 120.465 120.400 -0.570 0.000 2.063 259 K HA -0.206 4.110 4.320 -0.007 0.000 0.208 259 K C 1.526 177.938 176.600 -0.314 0.000 1.048 259 K CA 1.875 57.896 56.287 -0.443 0.000 0.928 259 K CB -0.038 32.315 32.500 -0.245 0.000 0.713 259 K HN 0.137 nan 8.250 nan 0.000 0.442 260 D N 0.322 120.561 120.400 -0.269 0.000 2.117 260 D HA -0.131 4.505 4.640 -0.007 0.000 0.198 260 D C 1.817 177.605 176.300 -0.854 0.000 0.982 260 D CA 1.248 55.053 54.000 -0.326 0.000 0.828 260 D CB -0.233 40.524 40.800 -0.072 0.000 0.967 260 D HN 0.332 nan 8.370 nan 0.000 0.464 261 A N 1.123 123.276 122.820 -1.111 0.000 1.865 261 A HA -0.202 4.114 4.320 -0.007 0.000 0.217 261 A C 2.066 179.411 177.584 -0.399 0.000 1.191 261 A CA 1.125 52.320 52.037 -1.405 0.000 0.623 261 A CB -0.991 17.490 19.000 -0.865 0.000 0.826 261 A HN 0.071 nan 8.150 nan 0.000 0.444 262 F N 0.012 119.717 119.950 -0.408 0.000 2.065 262 F HA -0.186 4.337 4.527 -0.007 0.000 0.298 262 F C 2.409 178.153 175.800 -0.094 0.000 1.112 262 F CA 1.444 59.302 58.000 -0.237 0.000 1.212 262 F CB -1.223 37.408 39.000 -0.615 0.000 0.975 262 F HN 0.515 nan 8.300 nan 0.000 0.476 263 E N -0.973 119.252 120.200 0.041 0.000 2.051 263 E HA -0.259 4.086 4.350 -0.007 0.000 0.192 263 E C 2.443 179.074 176.600 0.051 0.000 0.991 263 E CA 1.352 57.779 56.400 0.045 0.000 0.799 263 E CB -0.448 29.258 29.700 0.010 0.000 0.748 263 E HN 0.463 nan 8.360 nan 0.000 0.449 264 H N 0.457 119.460 119.070 -0.111 0.000 2.289 264 H HA -0.155 4.397 4.556 -0.007 0.000 0.296 264 H C 2.221 177.576 175.328 0.045 0.000 1.091 264 H CA 2.116 58.148 56.048 -0.027 0.000 1.274 264 H CB -0.097 29.643 29.762 -0.037 0.000 1.364 264 H HN 0.253 nan 8.280 nan 0.000 0.490 265 I N 0.843 121.491 120.570 0.129 0.000 2.202 265 I HA -0.242 3.924 4.170 -0.007 0.000 0.242 265 I C 2.896 179.116 176.117 0.171 0.000 1.091 265 I CA 1.290 62.705 61.300 0.191 0.000 1.368 265 I CB -0.257 37.901 38.000 0.262 0.000 1.058 265 I HN 0.184 nan 8.210 nan 0.000 0.410 266 V N -1.408 118.591 119.914 0.142 0.000 2.626 266 V HA -0.189 3.926 4.120 -0.007 0.000 0.252 266 V C 2.451 178.565 176.094 0.034 0.000 1.067 266 V CA 2.087 64.450 62.300 0.105 0.000 1.081 266 V CB -1.697 30.196 31.823 0.116 0.000 0.686 266 V HN 0.611 nan 8.190 nan 0.000 0.468 267 T N -3.144 111.397 114.554 -0.021 0.000 3.014 267 T HA -0.095 4.251 4.350 -0.007 0.000 0.263 267 T C 1.968 176.569 174.700 -0.164 0.000 1.078 267 T CA 0.992 63.048 62.100 -0.072 0.000 1.135 267 T CB -0.298 68.535 68.868 -0.058 0.000 0.895 267 T HN 0.479 nan 8.240 nan 0.000 0.480 268 Q N 0.493 120.118 119.800 -0.292 0.000 2.079 268 Q HA 0.063 4.399 4.340 -0.007 0.000 0.200 268 Q C 0.227 175.856 176.000 -0.617 0.000 0.974 268 Q CA 0.995 56.478 55.803 -0.532 0.000 0.840 268 Q CB -0.216 28.061 28.738 -0.769 0.000 0.898 268 Q HN 0.665 nan 8.270 nan 0.000 0.430 269 F N 0.729 120.645 119.950 -0.056 0.000 2.550 269 F HA 0.175 4.698 4.527 -0.007 0.000 0.312 269 F C 1.162 176.933 175.800 -0.048 0.000 1.256 269 F CA -0.419 57.555 58.000 -0.043 0.000 1.182 269 F CB 0.297 39.275 39.000 -0.037 0.000 1.383 269 F HN -0.073 nan 8.300 nan 0.000 0.541 270 S N -2.318 113.408 115.700 0.043 0.000 2.501 270 S HA -0.016 4.450 4.470 -0.007 0.000 0.220 270 S C 1.437 176.047 174.600 0.016 0.000 0.997 270 S CA 0.550 58.759 58.200 0.014 0.000 0.919 270 S CB 0.022 63.210 63.200 -0.019 0.000 0.778 270 S HN 0.254 nan 8.310 nan 0.000 0.523 271 S N 0.696 116.416 115.700 0.034 0.000 2.540 271 S HA 0.391 4.857 4.470 -0.007 0.000 0.222 271 S C 0.409 175.024 174.600 0.026 0.000 1.008 271 S CA -0.019 58.194 58.200 0.022 0.000 0.939 271 S CB 0.763 63.972 63.200 0.017 0.000 0.865 271 S HN 0.591 nan 8.310 nan 0.000 0.499 272 V N -0.836 119.109 119.914 0.052 0.000 3.046 272 V HA 0.715 4.831 4.120 -0.007 0.000 0.316 272 V C -3.300 172.786 176.094 -0.015 0.000 1.104 272 V CA -3.194 59.119 62.300 0.022 0.000 1.006 272 V CB 0.959 32.812 31.823 0.051 0.000 1.058 272 V HN -0.210 nan 8.190 nan 0.000 0.440 273 P HA 0.345 nan 4.420 nan 0.000 0.271 273 P C -0.919 176.305 177.300 -0.126 0.000 1.216 273 P CA 0.101 63.142 63.100 -0.100 0.000 0.776 273 P CB 1.074 32.700 31.700 -0.123 0.000 0.881 274 V N 2.774 122.602 119.914 -0.144 0.000 2.577 274 V HA 0.433 4.549 4.120 -0.007 0.000 0.303 274 V C -0.557 175.411 176.094 -0.210 0.000 1.042 274 V CA -0.505 61.688 62.300 -0.178 0.000 0.872 274 V CB 1.874 33.643 31.823 -0.091 0.000 0.998 274 V HN 0.548 nan 8.190 nan 0.000 0.423 275 S N 5.665 121.237 115.700 -0.214 0.000 2.475 275 S HA 0.726 5.191 4.470 -0.007 0.000 0.281 275 S C -0.855 173.626 174.600 -0.199 0.000 1.198 275 S CA -0.434 57.637 58.200 -0.215 0.000 1.063 275 S CB 1.116 64.204 63.200 -0.186 0.000 0.972 275 S HN 0.756 nan 8.310 nan 0.000 0.486 276 V N 5.884 125.664 119.914 -0.224 0.000 2.443 276 V HA 0.387 4.503 4.120 -0.007 0.000 0.293 276 V C 0.168 176.169 176.094 -0.155 0.000 1.021 276 V CA -0.959 61.239 62.300 -0.170 0.000 0.848 276 V CB 1.441 33.175 31.823 -0.148 0.000 0.998 276 V HN 0.755 nan 8.190 nan 0.000 0.424 277 V N 4.980 124.806 119.914 -0.146 0.000 2.529 277 V HA 0.150 4.266 4.120 -0.007 0.000 0.292 277 V C 1.062 177.153 176.094 -0.005 0.000 1.028 277 V CA 1.052 63.260 62.300 -0.154 0.000 1.074 277 V CB 1.588 33.188 31.823 -0.372 0.000 0.958 277 V HN 1.034 nan 8.190 nan 0.000 0.481 278 S N 3.707 119.446 115.700 0.064 0.000 2.650 278 S HA 0.151 4.617 4.470 -0.007 0.000 0.240 278 S C 0.708 175.411 174.600 0.170 0.000 1.007 278 S CA 0.112 58.460 58.200 0.248 0.000 0.984 278 S CB 0.023 63.411 63.200 0.314 0.000 0.910 278 S HN 1.006 nan 8.310 nan 0.000 0.509 279 D N 0.474 120.929 120.400 0.093 0.000 2.402 279 D HA 0.199 4.835 4.640 -0.007 0.000 0.216 279 D C 0.903 177.201 176.300 -0.004 0.000 1.128 279 D CA -0.000 54.017 54.000 0.029 0.000 0.833 279 D CB -0.109 40.694 40.800 0.005 0.000 0.971 279 D HN 0.010 nan 8.370 nan 0.000 0.503 280 S N -0.094 115.579 115.700 -0.046 0.000 2.380 280 S HA -0.174 4.292 4.470 -0.007 0.000 0.229 280 S C 0.728 174.933 174.600 -0.658 0.000 1.043 280 S CA 1.483 59.446 58.200 -0.395 0.000 1.038 280 S CB -0.205 62.595 63.200 -0.667 0.000 0.872 280 S HN 0.498 nan 8.310 nan 0.000 0.456 281 Y N -0.854 119.455 120.300 0.015 0.000 2.784 281 Y HA 0.434 4.979 4.550 -0.007 0.000 0.267 281 Y C 0.170 176.057 175.900 -0.022 0.000 1.117 281 Y CA -0.589 57.501 58.100 -0.016 0.000 1.231 281 Y CB 0.636 39.074 38.460 -0.035 0.000 1.441 281 Y HN 0.038 nan 8.280 nan 0.000 0.469 282 D N 0.088 120.558 120.400 0.116 0.000 2.354 282 D HA 0.129 4.764 4.640 -0.007 0.000 0.230 282 D C 0.286 176.571 176.300 -0.025 0.000 1.361 282 D CA -0.150 53.873 54.000 0.039 0.000 0.992 282 D CB 1.300 42.149 40.800 0.082 0.000 1.409 282 D HN 0.162 nan 8.370 nan 0.000 0.573 283 I N 4.069 124.519 120.570 -0.200 0.000 2.208 283 I HA -0.218 3.948 4.170 -0.007 0.000 0.245 283 I C 1.044 177.053 176.117 -0.181 0.000 1.097 283 I CA 1.753 62.899 61.300 -0.257 0.000 1.363 283 I CB -0.177 37.545 38.000 -0.463 0.000 1.051 283 I HN 0.382 nan 8.210 nan 0.000 0.413 284 Y N 0.189 120.548 120.300 0.098 0.000 2.314 284 Y HA -0.093 4.453 4.550 -0.007 0.000 0.293 284 Y C 2.520 178.479 175.900 0.098 0.000 1.129 284 Y CA 1.318 59.473 58.100 0.092 0.000 1.201 284 Y CB -1.510 36.991 38.460 0.068 0.000 0.999 284 Y HN 0.332 nan 8.280 nan 0.000 0.541 285 N N 0.723 119.537 118.700 0.189 0.000 2.142 285 N HA -0.185 4.551 4.740 -0.007 0.000 0.186 285 N C 1.982 177.556 175.510 0.106 0.000 1.023 285 N CA 1.199 54.323 53.050 0.124 0.000 0.852 285 N CB -0.068 38.466 38.487 0.077 0.000 0.998 285 N HN 0.360 nan 8.380 nan 0.000 0.424 286 A N 0.700 123.588 122.820 0.114 0.000 1.902 286 A HA -0.126 4.190 4.320 -0.007 0.000 0.217 286 A C 2.762 180.485 177.584 0.231 0.000 1.181 286 A CA 1.339 53.456 52.037 0.134 0.000 0.623 286 A CB -0.953 18.197 19.000 0.250 0.000 0.818 286 A HN 0.586 nan 8.150 nan 0.000 0.443 287 C N -1.321 118.173 119.300 0.323 0.000 2.466 287 C HA -0.004 4.451 4.460 -0.007 0.000 0.278 287 C C 2.681 177.883 174.990 0.354 0.000 1.288 287 C CA 1.177 60.446 59.018 0.420 0.000 1.722 287 C CB -0.934 26.991 27.740 0.309 0.000 2.017 287 C HN 0.791 nan 8.230 nan 0.000 0.488 288 E N 0.406 120.755 120.200 0.249 0.000 2.060 288 E HA -0.101 4.245 4.350 -0.007 0.000 0.189 288 E C 2.096 178.782 176.600 0.145 0.000 0.974 288 E CA 0.786 57.300 56.400 0.190 0.000 0.808 288 E CB 0.130 29.922 29.700 0.153 0.000 0.768 288 E HN 0.421 nan 8.360 nan 0.000 0.453 289 K N -0.004 120.465 120.400 0.116 0.000 2.214 289 K HA 0.110 4.426 4.320 -0.007 0.000 0.201 289 K C 2.193 178.824 176.600 0.052 0.000 1.049 289 K CA 0.453 56.780 56.287 0.066 0.000 0.978 289 K CB 0.186 32.707 32.500 0.034 0.000 0.842 289 K HN 0.228 nan 8.250 nan 0.000 0.474 290 I N -1.070 119.516 120.570 0.026 0.000 2.270 290 I HA -0.139 4.027 4.170 -0.007 0.000 0.239 290 I C 2.221 178.365 176.117 0.045 0.000 1.080 290 I CA 1.056 62.319 61.300 -0.061 0.000 1.383 290 I CB -0.369 37.486 38.000 -0.242 0.000 1.097 290 I HN 0.139 nan 8.210 nan 0.000 0.420 291 W N 1.033 122.475 121.300 0.237 0.000 2.381 291 W HA -0.035 4.621 4.660 -0.007 0.000 0.301 291 W C 2.511 179.197 176.519 0.278 0.000 1.205 291 W CA 0.764 58.249 57.345 0.234 0.000 1.285 291 W CB -0.559 29.021 29.460 0.200 0.000 1.133 291 W HN 0.109 nan 8.180 nan 0.000 0.521 292 G N -0.499 108.565 108.800 0.440 0.000 2.623 292 G HA2 -0.030 3.926 3.960 -0.007 0.000 0.214 292 G HA3 -0.030 3.926 3.960 -0.007 0.000 0.214 292 G C 1.079 175.986 174.900 0.012 0.000 1.138 292 G CA 0.811 46.019 45.100 0.180 0.000 0.794 292 G HN 0.280 nan 8.290 nan 0.000 0.535 293 E N -0.498 119.754 120.200 0.087 0.000 3.596 293 E HA 0.034 4.380 4.350 -0.007 0.000 0.188 293 E C 1.369 178.028 176.600 0.098 0.000 1.232 293 E CA -0.108 56.324 56.400 0.053 0.000 1.460 293 E CB 0.238 29.961 29.700 0.038 0.000 1.513 293 E HN -0.012 nan 8.360 nan 0.000 0.530 294 D N 1.007 121.463 120.400 0.095 0.000 2.144 294 D HA -0.067 4.569 4.640 -0.007 0.000 0.199 294 D C 1.414 177.829 176.300 0.192 0.000 0.984 294 D CA 1.137 55.200 54.000 0.106 0.000 0.834 294 D CB 0.304 41.127 40.800 0.039 0.000 0.955 294 D HN 0.121 nan 8.370 nan 0.000 0.465 295 L N -0.047 121.273 121.223 0.162 0.000 3.014 295 L HA 0.305 4.640 4.340 -0.007 0.000 0.263 295 L C 1.890 178.811 176.870 0.085 0.000 1.207 295 L CA -0.258 54.631 54.840 0.081 0.000 1.017 295 L CB 0.504 42.630 42.059 0.112 0.000 1.360 295 L HN -0.149 nan 8.230 nan 0.000 0.560 296 R N 0.937 121.551 120.500 0.191 0.000 2.105 296 R HA -0.197 4.139 4.340 -0.007 0.000 0.239 296 R C 2.398 178.767 176.300 0.115 0.000 1.135 296 R CA 1.975 58.189 56.100 0.191 0.000 0.967 296 R CB -0.162 30.171 30.300 0.056 0.000 0.861 296 R HN 0.578 nan 8.270 nan 0.000 0.442 297 H N -0.373 118.739 119.070 0.070 0.000 2.489 297 H HA -0.085 4.466 4.556 -0.007 0.000 0.293 297 H C 1.648 176.989 175.328 0.021 0.000 1.066 297 H CA 1.006 57.071 56.048 0.029 0.000 1.305 297 H CB -0.295 29.480 29.762 0.021 0.000 1.386 297 H HN 0.302 nan 8.280 nan 0.000 0.551 298 L N 0.237 121.213 121.223 -0.411 0.000 2.567 298 L HA 0.038 4.374 4.340 -0.007 0.000 0.225 298 L C 1.751 178.551 176.870 -0.116 0.000 1.119 298 L CA -0.142 54.554 54.840 -0.241 0.000 0.871 298 L CB 0.121 42.022 42.059 -0.264 0.000 1.036 298 L HN 0.147 nan 8.230 nan 0.000 0.459 299 I N -0.527 119.996 120.570 -0.079 0.000 2.729 299 I HA -0.056 4.110 4.170 -0.007 0.000 0.256 299 I C 2.512 178.370 176.117 -0.433 0.000 1.115 299 I CA 1.065 62.300 61.300 -0.107 0.000 1.446 299 I CB -0.867 37.185 38.000 0.087 0.000 1.176 299 I HN 0.092 nan 8.210 nan 0.000 0.446 300 V N -0.102 119.549 119.914 -0.438 0.000 3.078 300 V HA -0.068 4.047 4.120 -0.007 0.000 0.265 300 V C 2.153 177.878 176.094 -0.615 0.000 1.122 300 V CA 1.672 63.439 62.300 -0.890 0.000 1.141 300 V CB -1.272 30.404 31.823 -0.246 0.000 0.735 300 V HN 0.468 nan 8.190 nan 0.000 0.498 301 S N -0.705 114.801 115.700 -0.325 0.000 2.558 301 S HA 0.224 4.690 4.470 -0.007 0.000 0.217 301 S C 1.042 175.559 174.600 -0.138 0.000 0.975 301 S CA -0.395 57.706 58.200 -0.165 0.000 0.912 301 S CB -0.307 62.847 63.200 -0.077 0.000 0.776 301 S HN 0.674 nan 8.310 nan 0.000 0.526 302 R N 1.810 122.194 120.500 -0.193 0.000 2.582 302 R HA 0.402 4.738 4.340 -0.007 0.000 0.271 302 R C 0.410 176.715 176.300 0.007 0.000 1.078 302 R CA -0.086 55.968 56.100 -0.076 0.000 1.127 302 R CB 0.593 30.856 30.300 -0.062 0.000 1.038 302 R HN 0.282 nan 8.270 nan 0.000 0.500 303 S N -0.018 115.692 115.700 0.016 0.000 2.593 303 S HA 0.003 4.469 4.470 -0.007 0.000 0.269 303 S C 1.079 175.708 174.600 0.047 0.000 1.334 303 S CA -0.496 57.723 58.200 0.032 0.000 1.015 303 S CB 1.119 64.324 63.200 0.008 0.000 0.912 303 S HN 0.589 nan 8.310 nan 0.000 0.541 304 T N 3.234 117.812 114.554 0.039 0.000 2.915 304 T HA -0.068 4.278 4.350 -0.007 0.000 0.269 304 T C 1.391 176.078 174.700 -0.022 0.000 1.071 304 T CA 1.391 63.498 62.100 0.013 0.000 1.132 304 T CB -0.210 68.661 68.868 0.005 0.000 0.878 304 T HN 0.601 nan 8.240 nan 0.000 0.479 305 Q N 0.313 120.099 119.800 -0.023 0.000 2.425 305 Q HA 0.418 4.754 4.340 -0.007 0.000 0.204 305 Q C 0.949 176.919 176.000 -0.051 0.000 0.933 305 Q CA 0.230 56.006 55.803 -0.046 0.000 0.939 305 Q CB 0.429 29.143 28.738 -0.040 0.000 1.044 305 Q HN 0.424 nan 8.270 nan 0.000 0.513 306 A N 1.247 124.046 122.820 -0.035 0.000 3.253 306 A HA 0.379 4.695 4.320 -0.007 0.000 0.290 306 A C -2.620 174.938 177.584 -0.044 0.000 0.950 306 A CA -1.264 50.751 52.037 -0.037 0.000 0.986 306 A CB 0.260 19.250 19.000 -0.017 0.000 1.104 306 A HN -0.033 nan 8.150 nan 0.000 0.481 307 P HA 0.292 nan 4.420 nan 0.000 0.276 307 P C -0.163 177.049 177.300 -0.146 0.000 1.244 307 P CA -0.325 62.725 63.100 -0.084 0.000 0.801 307 P CB 1.145 32.775 31.700 -0.116 0.000 1.006 308 L N 2.845 123.949 121.223 -0.197 0.000 2.367 308 L HA 0.291 4.627 4.340 -0.007 0.000 0.275 308 L C -0.411 176.240 176.870 -0.365 0.000 1.129 308 L CA 0.098 54.735 54.840 -0.339 0.000 0.839 308 L CB -0.463 41.289 42.059 -0.512 0.000 1.133 308 L HN 0.181 nan 8.230 nan 0.000 0.453 309 I N 6.826 127.182 120.570 -0.357 0.000 2.371 309 I HA 0.317 4.483 4.170 -0.007 0.000 0.282 309 I C -0.209 175.686 176.117 -0.369 0.000 1.031 309 I CA -0.288 60.818 61.300 -0.324 0.000 1.180 309 I CB 0.816 38.672 38.000 -0.240 0.000 1.336 309 I HN 0.507 nan 8.210 nan 0.000 0.467 310 I N 5.892 126.213 120.570 -0.415 0.000 2.533 310 I HA 0.168 4.334 4.170 -0.007 0.000 0.284 310 I C 0.664 176.643 176.117 -0.230 0.000 1.109 310 I CA 0.049 61.122 61.300 -0.378 0.000 1.412 310 I CB 0.425 38.198 38.000 -0.379 0.000 1.396 310 I HN 0.559 nan 8.210 nan 0.000 0.543 311 R N 9.029 129.427 120.500 -0.171 0.000 2.272 311 R HA 0.391 4.727 4.340 -0.007 0.000 0.323 311 R C -2.533 173.720 176.300 -0.078 0.000 1.002 311 R CA -1.668 54.357 56.100 -0.125 0.000 0.900 311 R CB 1.055 31.276 30.300 -0.132 0.000 1.151 311 R HN 0.294 nan 8.270 nan 0.000 0.507 312 P HA 0.125 nan 4.420 nan 0.000 0.274 312 P C -0.742 176.549 177.300 -0.016 0.000 1.237 312 P CA 0.037 63.113 63.100 -0.041 0.000 0.793 312 P CB 1.152 32.824 31.700 -0.046 0.000 0.977 313 D N -1.199 119.207 120.400 0.010 0.000 2.583 313 D HA 0.103 4.739 4.640 -0.007 0.000 0.282 313 D C -0.589 175.740 176.300 0.047 0.000 1.485 313 D CA 0.042 54.070 54.000 0.047 0.000 0.834 313 D CB 0.290 41.149 40.800 0.098 0.000 1.258 313 D HN 0.371 nan 8.370 nan 0.000 0.470 314 S N -1.754 113.958 115.700 0.021 0.000 2.625 314 S HA 0.818 5.284 4.470 -0.007 0.000 0.271 314 S C 0.451 175.065 174.600 0.022 0.000 1.161 314 S CA -0.302 57.907 58.200 0.014 0.000 0.820 314 S CB 1.554 64.749 63.200 -0.009 0.000 1.137 314 S HN 0.636 nan 8.310 nan 0.000 0.470 315 G N 1.326 110.147 108.800 0.035 0.000 2.760 315 G HA2 -0.137 3.819 3.960 -0.007 0.000 0.246 315 G HA3 -0.137 3.819 3.960 -0.007 0.000 0.246 315 G C -0.549 174.389 174.900 0.063 0.000 1.359 315 G CA -0.313 44.823 45.100 0.061 0.000 0.861 315 G HN 1.165 nan 8.290 nan 0.000 0.541 316 N N 1.224 119.968 118.700 0.073 0.000 2.452 316 N HA 0.186 4.922 4.740 -0.007 0.000 0.266 316 N C -0.695 174.857 175.510 0.070 0.000 1.209 316 N CA -0.652 52.437 53.050 0.065 0.000 0.929 316 N CB 1.156 39.680 38.487 0.061 0.000 1.063 316 N HN 0.123 nan 8.380 nan 0.000 0.472 317 P HA -0.188 nan 4.420 nan 0.000 0.214 317 P C 1.634 178.977 177.300 0.072 0.000 1.163 317 P CA 0.841 63.985 63.100 0.072 0.000 0.889 317 P CB 0.199 31.946 31.700 0.078 0.000 0.790 318 L N -0.204 121.058 121.223 0.065 0.000 2.027 318 L HA -0.144 4.192 4.340 -0.007 0.000 0.206 318 L C 1.597 178.500 176.870 0.054 0.000 1.074 318 L CA 2.119 56.995 54.840 0.059 0.000 0.745 318 L CB -1.461 40.628 42.059 0.050 0.000 0.898 318 L HN -0.150 nan 8.230 nan 0.000 0.433 319 D N -1.046 119.390 120.400 0.059 0.000 2.144 319 D HA -0.144 4.492 4.640 -0.007 0.000 0.199 319 D C 2.042 178.393 176.300 0.084 0.000 0.984 319 D CA 1.767 55.803 54.000 0.060 0.000 0.834 319 D CB -0.230 40.605 40.800 0.059 0.000 0.955 319 D HN 0.401 nan 8.370 nan 0.000 0.465 320 T N 0.516 115.141 114.554 0.117 0.000 2.737 320 T HA -0.076 4.269 4.350 -0.007 0.000 0.265 320 T C 2.307 177.072 174.700 0.108 0.000 1.038 320 T CA 0.641 62.849 62.100 0.181 0.000 1.144 320 T CB -0.389 68.559 68.868 0.134 0.000 0.866 320 T HN -0.037 nan 8.240 nan 0.000 0.434 321 V N 1.678 121.610 119.914 0.030 0.000 2.287 321 V HA -0.142 3.974 4.120 -0.007 0.000 0.248 321 V C 2.528 178.552 176.094 -0.117 0.000 1.053 321 V CA 1.551 63.818 62.300 -0.055 0.000 1.027 321 V CB -0.697 31.091 31.823 -0.059 0.000 0.646 321 V HN 0.433 nan 8.190 nan 0.000 0.447 322 L N -0.470 120.713 121.223 -0.066 0.000 2.046 322 L HA -0.221 4.114 4.340 -0.007 0.000 0.208 322 L C 2.566 179.397 176.870 -0.064 0.000 1.077 322 L CA 1.959 56.748 54.840 -0.085 0.000 0.747 322 L CB -0.562 41.510 42.059 0.022 0.000 0.896 322 L HN 0.313 nan 8.230 nan 0.000 0.432 323 K N -0.078 120.320 120.400 -0.003 0.000 2.062 323 K HA -0.120 4.196 4.320 -0.007 0.000 0.205 323 K C 2.035 178.669 176.600 0.056 0.000 1.051 323 K CA 0.947 57.237 56.287 0.006 0.000 0.941 323 K CB 0.062 32.519 32.500 -0.072 0.000 0.719 323 K HN 0.004 nan 8.250 nan 0.000 0.440 324 V N 1.717 121.685 119.914 0.089 0.000 2.287 324 V HA -0.282 3.834 4.120 -0.007 0.000 0.248 324 V C 2.263 178.302 176.094 -0.090 0.000 1.053 324 V CA 1.740 64.072 62.300 0.054 0.000 1.027 324 V CB -0.352 31.474 31.823 0.004 0.000 0.646 324 V HN 0.333 nan 8.190 nan 0.000 0.447 325 L N -0.600 120.445 121.223 -0.296 0.000 2.046 325 L HA -0.138 4.198 4.340 -0.007 0.000 0.208 325 L C 2.744 179.409 176.870 -0.341 0.000 1.077 325 L CA 1.344 55.789 54.840 -0.659 0.000 0.747 325 L CB -0.645 40.535 42.059 -1.465 0.000 0.896 325 L HN 0.314 nan 8.230 nan 0.000 0.432 326 E N 0.265 120.435 120.200 -0.050 0.000 2.077 326 E HA -0.188 4.158 4.350 -0.007 0.000 0.193 326 E C 2.269 178.977 176.600 0.180 0.000 0.989 326 E CA 1.226 57.760 56.400 0.223 0.000 0.800 326 E CB -0.218 29.597 29.700 0.191 0.000 0.746 326 E HN 0.516 nan 8.360 nan 0.000 0.452 327 I N 0.876 121.519 120.570 0.123 0.000 2.163 327 I HA -0.289 3.877 4.170 -0.007 0.000 0.243 327 I C 2.450 178.690 176.117 0.205 0.000 1.085 327 I CA 1.020 62.413 61.300 0.154 0.000 1.347 327 I CB -0.259 37.844 38.000 0.173 0.000 1.044 327 I HN 0.049 nan 8.210 nan 0.000 0.408 328 L N 0.132 121.472 121.223 0.194 0.000 2.093 328 L HA -0.104 4.232 4.340 -0.007 0.000 0.208 328 L C 2.654 179.746 176.870 0.371 0.000 1.085 328 L CA 1.337 56.360 54.840 0.305 0.000 0.755 328 L CB -1.168 40.951 42.059 0.100 0.000 0.904 328 L HN 0.332 nan 8.230 nan 0.000 0.435 329 G N 0.097 109.098 108.800 0.336 0.000 2.450 329 G HA2 -0.246 3.710 3.960 -0.007 0.000 0.220 329 G HA3 -0.246 3.710 3.960 -0.007 0.000 0.220 329 G C 1.720 176.784 174.900 0.273 0.000 1.130 329 G CA 0.614 45.961 45.100 0.412 0.000 0.760 329 G HN 0.321 nan 8.290 nan 0.000 0.557 330 K N -0.373 120.161 120.400 0.223 0.000 2.314 330 K HA 0.109 4.425 4.320 -0.007 0.000 0.198 330 K C 1.899 178.555 176.600 0.094 0.000 1.045 330 K CA 0.343 56.715 56.287 0.141 0.000 0.988 330 K CB 0.256 32.827 32.500 0.117 0.000 0.783 330 K HN 0.010 nan 8.250 nan 0.000 0.484 331 K N -0.289 120.176 120.400 0.109 0.000 2.361 331 K HA 0.178 4.494 4.320 -0.007 0.000 0.194 331 K C -0.154 176.230 176.600 -0.360 0.000 1.032 331 K CA 0.413 56.635 56.287 -0.107 0.000 1.048 331 K CB 0.472 32.902 32.500 -0.118 0.000 0.842 331 K HN -0.046 nan 8.250 nan 0.000 0.526 332 F N 1.319 121.345 119.950 0.126 0.000 2.588 332 F HA 0.303 4.826 4.527 -0.007 0.000 0.314 332 F C -2.125 173.742 175.800 0.112 0.000 1.069 332 F CA -2.649 55.433 58.000 0.137 0.000 0.931 332 F CB 1.770 40.854 39.000 0.140 0.000 1.260 332 F HN -0.239 nan 8.300 nan 0.000 0.465 333 P HA 0.085 nan 4.420 nan 0.000 0.264 333 P C -0.501 176.881 177.300 0.138 0.000 1.537 333 P CA 0.260 63.469 63.100 0.182 0.000 1.189 333 P CB 0.080 31.886 31.700 0.176 0.000 1.687 334 V N 4.096 124.090 119.914 0.134 0.000 2.614 334 V HA 0.200 4.315 4.120 -0.007 0.000 0.291 334 V C 1.404 177.523 176.094 0.041 0.000 1.049 334 V CA 0.266 62.625 62.300 0.099 0.000 1.038 334 V CB 0.950 32.848 31.823 0.125 0.000 0.980 334 V HN 0.569 nan 8.190 nan 0.000 0.481 335 T N 1.374 115.941 114.554 0.022 0.000 2.919 335 T HA 0.623 4.969 4.350 -0.007 0.000 0.282 335 T C -0.565 174.124 174.700 -0.018 0.000 1.020 335 T CA -0.806 61.296 62.100 0.003 0.000 0.994 335 T CB 2.046 70.918 68.868 0.007 0.000 1.180 335 T HN 0.700 nan 8.240 nan 0.000 0.566 336 E N 1.314 121.502 120.200 -0.020 0.000 2.191 336 E HA 0.333 4.678 4.350 -0.007 0.000 0.263 336 E C -0.422 176.180 176.600 0.003 0.000 0.881 336 E CA -0.892 55.492 56.400 -0.027 0.000 0.757 336 E CB 0.923 30.592 29.700 -0.052 0.000 1.147 336 E HN 0.736 nan 8.360 nan 0.000 0.414 337 N N 1.953 120.673 118.700 0.033 0.000 2.327 337 N HA -0.058 4.678 4.740 -0.007 0.000 0.257 337 N C 0.828 176.366 175.510 0.047 0.000 1.281 337 N CA 0.304 53.382 53.050 0.046 0.000 0.942 337 N CB 0.530 39.058 38.487 0.068 0.000 1.199 337 N HN 0.394 nan 8.380 nan 0.000 0.532 338 S N -1.391 114.335 115.700 0.044 0.000 2.440 338 S HA -0.100 4.366 4.470 -0.007 0.000 0.238 338 S C 1.071 175.704 174.600 0.056 0.000 1.010 338 S CA 0.649 58.871 58.200 0.037 0.000 0.972 338 S CB -0.288 62.929 63.200 0.029 0.000 0.774 338 S HN 0.522 nan 8.310 nan 0.000 0.501 339 K N 0.835 121.298 120.400 0.106 0.000 2.404 339 K HA 0.267 4.583 4.320 -0.007 0.000 0.194 339 K C 1.346 178.048 176.600 0.171 0.000 1.023 339 K CA 0.601 56.993 56.287 0.174 0.000 1.094 339 K CB -0.235 32.410 32.500 0.242 0.000 0.841 339 K HN 0.598 nan 8.250 nan 0.000 0.523 340 G N 1.054 109.896 108.800 0.069 0.000 2.132 340 G HA2 -0.272 3.684 3.960 -0.007 0.000 0.234 340 G HA3 -0.272 3.684 3.960 -0.007 0.000 0.234 340 G C -0.412 174.351 174.900 -0.228 0.000 0.989 340 G CA -0.143 44.900 45.100 -0.094 0.000 0.676 340 G HN 0.261 nan 8.290 nan 0.000 0.522 341 Y N 0.474 120.745 120.300 -0.048 0.000 2.420 341 Y HA 0.561 5.107 4.550 -0.007 0.000 0.334 341 Y C 1.058 176.897 175.900 -0.103 0.000 1.094 341 Y CA -0.830 57.230 58.100 -0.068 0.000 1.126 341 Y CB 1.114 39.571 38.460 -0.005 0.000 1.217 341 Y HN -0.029 nan 8.280 nan 0.000 0.462 342 K N 2.763 123.114 120.400 -0.081 0.000 2.350 342 K HA 0.333 4.649 4.320 -0.007 0.000 0.279 342 K C -1.316 175.308 176.600 0.039 0.000 1.027 342 K CA -0.380 55.773 56.287 -0.223 0.000 0.969 342 K CB 0.749 32.749 32.500 -0.834 0.000 0.954 342 K HN 0.346 nan 8.250 nan 0.000 0.474 343 L N 4.495 125.760 121.223 0.069 0.000 2.406 343 L HA 0.332 4.668 4.340 -0.007 0.000 0.272 343 L C -0.945 175.994 176.870 0.116 0.000 0.980 343 L CA -0.507 54.410 54.840 0.128 0.000 0.831 343 L CB 1.320 43.418 42.059 0.064 0.000 1.253 343 L HN 0.543 nan 8.230 nan 0.000 0.406 344 L N 6.264 127.568 121.223 0.135 0.000 2.473 344 L HA 0.315 4.651 4.340 -0.007 0.000 0.268 344 L C -1.689 175.100 176.870 -0.135 0.000 1.215 344 L CA -1.556 53.294 54.840 0.016 0.000 0.823 344 L CB 0.131 42.150 42.059 -0.066 0.000 1.099 344 L HN 0.529 nan 8.230 nan 0.000 0.483 345 P HA 0.020 nan 4.420 nan 0.000 0.267 345 P C -2.204 174.730 177.300 -0.609 0.000 1.200 345 P CA -1.242 61.565 63.100 -0.488 0.000 0.772 345 P CB -0.019 31.185 31.700 -0.827 0.000 0.855 346 P HA -0.136 nan 4.420 nan 0.000 0.225 346 P C 1.002 178.169 177.300 -0.221 0.000 1.148 346 P CA 1.455 64.407 63.100 -0.246 0.000 0.779 346 P CB -0.489 31.144 31.700 -0.111 0.000 0.780 347 Y N -1.547 118.695 120.300 -0.097 0.000 2.529 347 Y HA 0.496 5.042 4.550 -0.007 0.000 0.290 347 Y C 0.497 176.265 175.900 -0.219 0.000 1.177 347 Y CA -1.091 56.931 58.100 -0.131 0.000 1.305 347 Y CB -0.707 37.697 38.460 -0.094 0.000 1.047 347 Y HN -0.211 nan 8.280 nan 0.000 0.522 348 L N 1.837 122.864 121.223 -0.326 0.000 2.439 348 L HA 0.641 4.977 4.340 -0.007 0.000 0.270 348 L C -1.270 175.402 176.870 -0.328 0.000 0.972 348 L CA -1.105 53.516 54.840 -0.365 0.000 0.836 348 L CB 1.358 43.083 42.059 -0.557 0.000 1.255 348 L HN 0.025 nan 8.230 nan 0.000 0.404 349 R N 2.955 123.272 120.500 -0.304 0.000 2.869 349 R HA 0.828 5.164 4.340 -0.007 0.000 0.263 349 R C -1.586 174.545 176.300 -0.282 0.000 1.066 349 R CA -0.860 55.085 56.100 -0.258 0.000 0.960 349 R CB 2.312 32.486 30.300 -0.208 0.000 1.221 349 R HN 0.374 nan 8.270 nan 0.000 0.474 350 V N 1.617 121.375 119.914 -0.260 0.000 2.735 350 V HA 0.569 4.684 4.120 -0.007 0.000 0.310 350 V C -0.350 175.581 176.094 -0.271 0.000 1.061 350 V CA -0.874 61.267 62.300 -0.266 0.000 0.913 350 V CB 2.437 34.096 31.823 -0.273 0.000 1.005 350 V HN 0.637 nan 8.190 nan 0.000 0.428 351 I N 3.083 123.510 120.570 -0.239 0.000 2.447 351 I HA 0.539 4.705 4.170 -0.007 0.000 0.287 351 I C -0.741 175.269 176.117 -0.178 0.000 1.023 351 I CA -0.616 60.547 61.300 -0.228 0.000 1.083 351 I CB 1.896 39.813 38.000 -0.138 0.000 1.245 351 I HN 0.747 nan 8.210 nan 0.000 0.434 352 Q N 5.555 125.210 119.800 -0.240 0.000 2.390 352 Q HA 0.483 4.819 4.340 -0.007 0.000 0.249 352 Q C 0.055 176.106 176.000 0.085 0.000 0.996 352 Q CA -0.145 55.611 55.803 -0.078 0.000 0.899 352 Q CB 1.502 30.195 28.738 -0.075 0.000 1.216 352 Q HN 0.761 nan 8.270 nan 0.000 0.465 353 G N 3.051 111.940 108.800 0.147 0.000 3.651 353 G HA2 0.119 4.075 3.960 -0.007 0.000 0.279 353 G HA3 0.119 4.075 3.960 -0.007 0.000 0.279 353 G C -0.671 174.357 174.900 0.214 0.000 1.024 353 G CA -0.250 45.028 45.100 0.297 0.000 0.813 353 G HN 0.605 nan 8.290 nan 0.000 0.518 354 D N -0.848 119.635 120.400 0.139 0.000 2.391 354 D HA 0.463 5.098 4.640 -0.007 0.000 0.245 354 D C 1.034 177.393 176.300 0.097 0.000 1.069 354 D CA 0.259 54.321 54.000 0.103 0.000 0.831 354 D CB 1.115 41.958 40.800 0.072 0.000 1.204 354 D HN 0.224 nan 8.370 nan 0.000 0.503 355 G N 2.387 111.238 108.800 0.084 0.000 2.198 355 G HA2 -0.202 3.753 3.960 -0.007 0.000 0.260 355 G HA3 -0.202 3.753 3.960 -0.007 0.000 0.260 355 G C 0.017 174.955 174.900 0.063 0.000 1.025 355 G CA 0.300 45.440 45.100 0.067 0.000 0.769 355 G HN 0.565 nan 8.290 nan 0.000 0.507 356 V N 1.661 121.620 119.914 0.074 0.000 2.385 356 V HA 0.589 4.705 4.120 -0.007 0.000 0.269 356 V C 0.253 176.351 176.094 0.006 0.000 1.043 356 V CA 0.155 62.481 62.300 0.044 0.000 0.906 356 V CB 1.246 33.121 31.823 0.088 0.000 0.995 356 V HN 0.632 nan 8.190 nan 0.000 0.467 357 D N 3.179 123.568 120.400 -0.019 0.000 2.732 357 D HA 0.287 4.922 4.640 -0.007 0.000 0.292 357 D C 1.005 177.276 176.300 -0.048 0.000 1.135 357 D CA -0.900 53.090 54.000 -0.016 0.000 1.071 357 D CB 1.196 42.008 40.800 0.020 0.000 1.457 357 D HN 0.265 nan 8.370 nan 0.000 0.547 358 I N -0.057 120.506 120.570 -0.013 0.000 2.264 358 I HA -0.277 3.888 4.170 -0.007 0.000 0.248 358 I C 1.113 177.195 176.117 -0.058 0.000 1.111 358 I CA 1.404 62.687 61.300 -0.028 0.000 1.382 358 I CB -0.103 37.920 38.000 0.039 0.000 1.060 358 I HN 0.249 nan 8.210 nan 0.000 0.418 359 N N 0.257 118.938 118.700 -0.031 0.000 2.135 359 N HA -0.146 4.590 4.740 -0.007 0.000 0.186 359 N C 1.868 177.343 175.510 -0.057 0.000 1.027 359 N CA 2.169 55.198 53.050 -0.035 0.000 0.849 359 N CB -0.750 37.734 38.487 -0.005 0.000 1.002 359 N HN 0.510 nan 8.380 nan 0.000 0.425 360 T N -0.368 114.153 114.554 -0.055 0.000 2.951 360 T HA -0.004 4.341 4.350 -0.007 0.000 0.268 360 T C 2.062 176.685 174.700 -0.129 0.000 1.073 360 T CA 0.323 62.389 62.100 -0.057 0.000 1.134 360 T CB -0.398 68.461 68.868 -0.015 0.000 0.884 360 T HN 0.054 nan 8.240 nan 0.000 0.479 361 L N 1.316 122.401 121.223 -0.230 0.000 2.012 361 L HA -0.082 4.254 4.340 -0.007 0.000 0.210 361 L C 2.773 179.410 176.870 -0.388 0.000 1.073 361 L CA 2.201 56.755 54.840 -0.477 0.000 0.748 361 L CB -0.895 40.856 42.059 -0.512 0.000 0.891 361 L HN 0.274 nan 8.230 nan 0.000 0.431 362 Q N 0.159 119.806 119.800 -0.254 0.000 2.061 362 Q HA -0.269 4.067 4.340 -0.007 0.000 0.204 362 Q C 2.036 177.909 176.000 -0.212 0.000 0.984 362 Q CA 2.402 58.070 55.803 -0.225 0.000 0.846 362 Q CB -0.339 28.331 28.738 -0.113 0.000 0.902 362 Q HN 0.682 nan 8.270 nan 0.000 0.421 363 E N -0.310 119.813 120.200 -0.128 0.000 2.077 363 E HA -0.164 4.182 4.350 -0.007 0.000 0.193 363 E C 2.056 178.618 176.600 -0.063 0.000 0.989 363 E CA 1.443 57.800 56.400 -0.070 0.000 0.800 363 E CB -0.192 29.490 29.700 -0.030 0.000 0.746 363 E HN 0.465 nan 8.360 nan 0.000 0.452 364 I N 0.820 121.353 120.570 -0.061 0.000 2.202 364 I HA -0.226 3.940 4.170 -0.007 0.000 0.242 364 I C 2.616 178.732 176.117 -0.001 0.000 1.091 364 I CA 0.919 62.236 61.300 0.028 0.000 1.368 364 I CB -0.416 37.696 38.000 0.186 0.000 1.058 364 I HN 0.077 nan 8.210 nan 0.000 0.410 365 V N -0.856 118.974 119.914 -0.141 0.000 2.515 365 V HA -0.217 3.899 4.120 -0.007 0.000 0.250 365 V C 2.360 178.224 176.094 -0.385 0.000 1.058 365 V CA 2.039 64.178 62.300 -0.268 0.000 1.064 365 V CB -0.830 30.698 31.823 -0.491 0.000 0.675 365 V HN 0.396 nan 8.190 nan 0.000 0.461 366 E N 2.214 122.159 120.200 -0.425 0.000 2.072 366 E HA 0.008 4.354 4.350 -0.007 0.000 0.191 366 E C 2.180 178.819 176.600 0.065 0.000 0.985 366 E CA 1.873 58.217 56.400 -0.093 0.000 0.801 366 E CB -1.075 28.613 29.700 -0.019 0.000 0.750 366 E HN 0.548 nan 8.360 nan 0.000 0.452 367 G N 0.331 109.153 108.800 0.037 0.000 2.422 367 G HA2 -0.254 3.702 3.960 -0.007 0.000 0.218 367 G HA3 -0.254 3.702 3.960 -0.007 0.000 0.218 367 G C 1.664 176.650 174.900 0.144 0.000 1.146 367 G CA 1.056 46.208 45.100 0.086 0.000 0.769 367 G HN 0.256 nan 8.290 nan 0.000 0.547 368 M N 0.055 119.742 119.600 0.146 0.000 2.086 368 M HA -0.020 4.456 4.480 -0.007 0.000 0.261 368 M C 2.543 179.036 176.300 0.321 0.000 1.067 368 M CA 1.618 57.063 55.300 0.242 0.000 1.116 368 M CB -0.248 32.468 32.600 0.194 0.000 1.348 368 M HN 0.200 nan 8.290 nan 0.000 0.407 369 K N 0.059 120.627 120.400 0.279 0.000 2.063 369 K HA -0.217 4.098 4.320 -0.007 0.000 0.208 369 K C 1.995 178.803 176.600 0.348 0.000 1.048 369 K CA 1.384 57.890 56.287 0.366 0.000 0.928 369 K CB 0.019 32.749 32.500 0.384 0.000 0.713 369 K HN 0.279 nan 8.250 nan 0.000 0.442 370 Q N 0.465 120.411 119.800 0.243 0.000 2.226 370 Q HA -0.079 4.257 4.340 -0.007 0.000 0.204 370 Q C 1.304 177.391 176.000 0.145 0.000 0.975 370 Q CA 1.072 56.978 55.803 0.171 0.000 0.866 370 Q CB 0.116 28.934 28.738 0.134 0.000 0.915 370 Q HN 0.193 nan 8.270 nan 0.000 0.440 371 K N 0.052 120.572 120.400 0.200 0.000 2.437 371 K HA 0.137 4.453 4.320 -0.007 0.000 0.198 371 K C 0.203 176.846 176.600 0.072 0.000 1.024 371 K CA -0.230 56.171 56.287 0.190 0.000 1.148 371 K CB 0.326 33.033 32.500 0.346 0.000 0.860 371 K HN 0.149 nan 8.250 nan 0.000 0.515 372 M N -1.316 118.342 119.600 0.098 0.000 2.653 372 M HA -0.206 4.270 4.480 -0.007 0.000 0.203 372 M C -1.124 175.195 176.300 0.032 0.000 0.502 372 M CA 0.860 56.147 55.300 -0.022 0.000 0.601 372 M CB -2.626 29.792 32.600 -0.302 0.000 2.228 372 M HN 0.177 nan 8.290 nan 0.000 0.711 373 W N 0.523 121.989 121.300 0.277 0.000 2.391 373 W HA 0.550 5.206 4.660 -0.007 0.000 0.311 373 W C 0.958 177.590 176.519 0.188 0.000 1.087 373 W CA -0.348 57.115 57.345 0.197 0.000 1.209 373 W CB 1.159 30.683 29.460 0.106 0.000 1.273 373 W HN 0.226 nan 8.180 nan 0.000 0.482 374 S N 3.333 119.260 115.700 0.379 0.000 2.562 374 S HA 0.048 4.514 4.470 -0.007 0.000 0.281 374 S C 1.216 175.898 174.600 0.137 0.000 1.333 374 S CA -0.448 57.846 58.200 0.156 0.000 1.052 374 S CB 0.428 63.706 63.200 0.130 0.000 0.884 374 S HN 0.405 nan 8.310 nan 0.000 0.506 375 I N 3.943 124.553 120.570 0.066 0.000 3.001 375 I HA -0.046 4.119 4.170 -0.007 0.000 0.268 375 I C 2.079 178.231 176.117 0.059 0.000 1.267 375 I CA 0.946 62.298 61.300 0.087 0.000 1.472 375 I CB -1.644 36.427 38.000 0.118 0.000 1.089 375 I HN 0.757 nan 8.210 nan 0.000 0.468 376 E N 1.111 121.338 120.200 0.045 0.000 2.171 376 E HA -0.218 4.128 4.350 -0.007 0.000 0.197 376 E C 1.700 178.299 176.600 -0.002 0.000 0.997 376 E CA 1.015 57.430 56.400 0.026 0.000 0.810 376 E CB -0.101 29.614 29.700 0.025 0.000 0.738 376 E HN 0.534 nan 8.360 nan 0.000 0.467 377 N N 0.224 118.931 118.700 0.011 0.000 2.309 377 N HA -0.063 4.673 4.740 -0.007 0.000 0.182 377 N C 0.421 175.853 175.510 -0.129 0.000 1.018 377 N CA 0.649 53.674 53.050 -0.042 0.000 0.876 377 N CB 0.251 38.745 38.487 0.011 0.000 0.972 377 N HN 0.121 nan 8.380 nan 0.000 0.434 378 I N -0.068 120.421 120.570 -0.136 0.000 2.569 378 I HA 0.495 4.661 4.170 -0.007 0.000 0.296 378 I C -1.009 174.937 176.117 -0.285 0.000 1.028 378 I CA -0.794 60.336 61.300 -0.284 0.000 1.082 378 I CB 1.855 39.629 38.000 -0.377 0.000 1.264 378 I HN -0.096 nan 8.210 nan 0.000 0.429 379 A N 5.661 128.240 122.820 -0.402 0.000 2.430 379 A HA 0.864 5.180 4.320 -0.007 0.000 0.300 379 A C -1.631 175.623 177.584 -0.550 0.000 1.124 379 A CA -0.413 51.449 52.037 -0.292 0.000 0.766 379 A CB 0.854 19.780 19.000 -0.123 0.000 1.328 379 A HN 0.511 nan 8.150 nan 0.000 0.424 380 F N -0.234 119.665 119.950 -0.084 0.000 2.561 380 F HA 0.678 5.201 4.527 -0.007 0.000 0.321 380 F C 0.826 176.508 175.800 -0.195 0.000 1.065 380 F CA -0.327 57.609 58.000 -0.106 0.000 0.934 380 F CB 2.728 41.663 39.000 -0.108 0.000 1.215 380 F HN 0.739 nan 8.300 nan 0.000 0.471 381 G N 0.280 109.073 108.800 -0.011 0.000 2.566 381 G HA2 0.524 4.480 3.960 -0.007 0.000 0.311 381 G HA3 0.524 4.480 3.960 -0.007 0.000 0.311 381 G C -1.696 173.154 174.900 -0.084 0.000 1.322 381 G CA -0.690 44.166 45.100 -0.406 0.000 0.969 381 G HN 0.598 nan 8.290 nan 0.000 0.490 382 S N 0.310 115.896 115.700 -0.191 0.000 2.547 382 S HA 0.757 5.223 4.470 -0.007 0.000 0.281 382 S C 0.707 175.309 174.600 0.003 0.000 1.118 382 S CA 0.178 58.357 58.200 -0.036 0.000 0.947 382 S CB 1.572 64.711 63.200 -0.102 0.000 1.053 382 S HN 1.002 nan 8.310 nan 0.000 0.482 383 G N 2.900 111.759 108.800 0.099 0.000 2.508 383 G HA2 0.347 4.303 3.960 -0.007 0.000 0.217 383 G HA3 0.347 4.303 3.960 -0.007 0.000 0.217 383 G C 1.283 176.225 174.900 0.070 0.000 2.004 383 G CA 0.471 45.641 45.100 0.117 0.000 0.750 383 G HN 0.942 nan 8.290 nan 0.000 0.730 384 G N 0.698 109.545 108.800 0.080 0.000 2.440 384 G HA2 0.062 4.018 3.960 -0.007 0.000 0.218 384 G HA3 0.062 4.018 3.960 -0.007 0.000 0.218 384 G C 1.747 176.687 174.900 0.067 0.000 1.154 384 G CA 1.613 46.758 45.100 0.074 0.000 0.767 384 G HN 0.756 nan 8.290 nan 0.000 0.552 385 G N 0.290 109.122 108.800 0.053 0.000 2.448 385 G HA2 -0.066 3.890 3.960 -0.007 0.000 0.219 385 G HA3 -0.066 3.890 3.960 -0.007 0.000 0.219 385 G C 1.671 176.589 174.900 0.029 0.000 1.127 385 G CA 0.995 46.121 45.100 0.044 0.000 0.766 385 G HN 0.412 nan 8.290 nan 0.000 0.552 386 L N -0.682 120.538 121.223 -0.004 0.000 2.168 386 L HA 0.410 4.746 4.340 -0.007 0.000 0.203 386 L C 2.151 179.011 176.870 -0.018 0.000 1.078 386 L CA 1.209 56.016 54.840 -0.055 0.000 0.780 386 L CB 0.098 42.044 42.059 -0.188 0.000 0.939 386 L HN 0.152 nan 8.230 nan 0.000 0.451 387 L N -1.897 119.347 121.223 0.035 0.000 2.878 387 L HA 0.238 4.574 4.340 -0.007 0.000 0.253 387 L C 1.581 178.593 176.870 0.237 0.000 1.135 387 L CA 0.057 54.966 54.840 0.115 0.000 0.943 387 L CB 0.465 42.577 42.059 0.087 0.000 1.307 387 L HN 0.257 nan 8.230 nan 0.000 0.545 388 Q N 0.618 120.519 119.800 0.169 0.000 2.534 388 Q HA 0.085 4.420 4.340 -0.007 0.000 0.252 388 Q C 1.096 177.197 176.000 0.168 0.000 0.850 388 Q CA 0.630 56.530 55.803 0.161 0.000 0.974 388 Q CB 0.559 29.359 28.738 0.103 0.000 1.205 388 Q HN 0.030 nan 8.270 nan 0.000 0.593 389 K N 1.220 121.700 120.400 0.134 0.000 3.000 389 K HA 0.257 4.573 4.320 -0.007 0.000 0.265 389 K C -1.147 175.537 176.600 0.140 0.000 1.260 389 K CA 0.050 56.408 56.287 0.117 0.000 1.209 389 K CB -0.717 31.835 32.500 0.085 0.000 1.484 389 K HN 0.151 nan 8.250 nan 0.000 0.283 390 L N 0.369 121.718 121.223 0.211 0.000 2.445 390 L HA 0.396 4.732 4.340 -0.007 0.000 0.262 390 L C -0.238 176.828 176.870 0.327 0.000 0.974 390 L CA -0.887 54.107 54.840 0.257 0.000 0.822 390 L CB 2.399 44.653 42.059 0.325 0.000 1.339 390 L HN 0.222 nan 8.230 nan 0.000 0.409 391 T N -2.690 111.928 114.554 0.107 0.000 2.907 391 T HA 0.399 4.745 4.350 -0.007 0.000 0.290 391 T C 0.604 174.908 174.700 -0.659 0.000 1.066 391 T CA -0.817 61.112 62.100 -0.285 0.000 1.012 391 T CB 2.142 70.883 68.868 -0.210 0.000 1.184 391 T HN 0.622 nan 8.240 nan 0.000 0.522 392 R N 0.300 120.056 120.500 -1.240 0.000 2.193 392 R HA -0.102 4.233 4.340 -0.007 0.000 0.229 392 R C 1.562 177.642 176.300 -0.367 0.000 1.110 392 R CA 1.967 57.459 56.100 -1.012 0.000 0.988 392 R CB -0.242 29.417 30.300 -1.069 0.000 0.871 392 R HN 0.833 nan 8.270 nan 0.000 0.458 393 D N -0.162 120.068 120.400 -0.282 0.000 2.339 393 D HA -0.113 4.522 4.640 -0.007 0.000 0.217 393 D C 1.764 178.009 176.300 -0.092 0.000 1.050 393 D CA 0.061 53.972 54.000 -0.150 0.000 0.856 393 D CB 0.098 40.825 40.800 -0.122 0.000 0.922 393 D HN 0.232 nan 8.370 nan 0.000 0.518 394 L N 0.387 121.553 121.223 -0.095 0.000 2.046 394 L HA -0.049 4.287 4.340 -0.007 0.000 0.208 394 L C 1.921 178.741 176.870 -0.083 0.000 1.077 394 L CA 1.596 56.385 54.840 -0.086 0.000 0.747 394 L CB -0.192 41.788 42.059 -0.132 0.000 0.896 394 L HN 0.069 nan 8.230 nan 0.000 0.432 395 L N -0.981 120.210 121.223 -0.054 0.000 2.728 395 L HA 0.236 4.571 4.340 -0.007 0.000 0.238 395 L C 0.140 177.006 176.870 -0.008 0.000 1.143 395 L CA -0.110 54.725 54.840 -0.010 0.000 0.937 395 L CB -0.455 41.626 42.059 0.037 0.000 1.225 395 L HN 0.318 nan 8.230 nan 0.000 0.507 396 N N -0.226 118.450 118.700 -0.040 0.000 2.696 396 N HA -0.174 4.562 4.740 -0.007 0.000 0.256 396 N C -0.253 175.186 175.510 -0.117 0.000 1.031 396 N CA -0.135 52.874 53.050 -0.069 0.000 0.730 396 N CB -1.218 37.239 38.487 -0.050 0.000 0.894 396 N HN 0.295 nan 8.380 nan 0.000 0.544 397 C N 1.784 121.023 119.300 -0.102 0.000 2.624 397 C HA 0.427 4.882 4.460 -0.007 0.000 0.397 397 C C 1.059 175.875 174.990 -0.290 0.000 1.331 397 C CA -0.445 58.452 59.018 -0.203 0.000 1.716 397 C CB -0.841 27.023 27.740 0.206 0.000 2.452 397 C HN 0.490 nan 8.230 nan 0.000 0.586 398 S N 2.653 118.013 115.700 -0.566 0.000 2.549 398 S HA 0.770 5.236 4.470 -0.007 0.000 0.280 398 S C -1.143 173.198 174.600 -0.432 0.000 1.109 398 S CA -0.593 57.400 58.200 -0.346 0.000 0.905 398 S CB 1.403 64.464 63.200 -0.231 0.000 1.081 398 S HN 0.580 nan 8.310 nan 0.000 0.477 399 F N 1.989 121.776 119.950 -0.272 0.000 2.449 399 F HA 0.715 5.237 4.527 -0.008 0.000 0.342 399 F C -0.613 175.068 175.800 -0.197 0.000 1.127 399 F CA -0.290 57.587 58.000 -0.206 0.000 0.975 399 F CB 1.088 40.136 39.000 0.079 0.000 1.146 399 F HN 0.508 nan 8.300 nan 0.000 0.444 400 K N 5.206 125.281 120.400 -0.542 0.000 2.498 400 K HA 0.273 4.589 4.320 -0.007 0.000 0.254 400 K C -1.373 175.147 176.600 -0.132 0.000 0.933 400 K CA -0.650 55.503 56.287 -0.223 0.000 0.806 400 K CB 1.768 34.174 32.500 -0.157 0.000 1.301 400 K HN 0.709 nan 8.250 nan 0.000 0.432 401 C N 2.251 121.598 119.300 0.078 0.000 2.632 401 C HA 0.210 4.666 4.460 -0.007 0.000 0.415 401 C C 1.663 176.813 174.990 0.267 0.000 1.332 401 C CA 0.397 59.520 59.018 0.174 0.000 1.874 401 C CB -1.033 26.832 27.740 0.208 0.000 2.596 401 C HN 0.877 nan 8.230 nan 0.000 0.590 402 S N 3.334 119.251 115.700 0.362 0.000 2.604 402 S HA 0.234 4.700 4.470 -0.007 0.000 0.235 402 S C -0.332 174.501 174.600 0.389 0.000 1.043 402 S CA -0.141 58.281 58.200 0.369 0.000 0.997 402 S CB 0.090 63.479 63.200 0.315 0.000 0.956 402 S HN 0.923 nan 8.310 nan 0.000 0.535 403 Y N 1.506 121.950 120.300 0.239 0.000 2.436 403 Y HA 0.547 5.092 4.550 -0.007 0.000 0.327 403 Y C -1.324 174.651 175.900 0.125 0.000 1.138 403 Y CA -1.139 57.032 58.100 0.118 0.000 1.042 403 Y CB 1.883 40.302 38.460 -0.068 0.000 1.302 403 Y HN 0.288 nan 8.280 nan 0.000 0.439 404 V N 2.895 122.559 119.914 -0.417 0.000 3.040 404 V HA 0.895 5.011 4.120 -0.007 0.000 0.312 404 V C -1.675 174.079 176.094 -0.567 0.000 1.115 404 V CA -1.053 61.041 62.300 -0.343 0.000 0.998 404 V CB 1.681 33.425 31.823 -0.132 0.000 1.042 404 V HN 0.541 nan 8.190 nan 0.000 0.433 405 V N 2.171 121.890 119.914 -0.326 0.000 2.378 405 V HA 0.651 4.767 4.120 -0.007 0.000 0.288 405 V C 0.065 176.066 176.094 -0.155 0.000 1.016 405 V CA 0.066 62.223 62.300 -0.239 0.000 0.840 405 V CB 1.446 33.192 31.823 -0.128 0.000 0.994 405 V HN 1.116 nan 8.190 nan 0.000 0.431 406 T N 3.627 118.100 114.554 -0.135 0.000 2.848 406 T HA 0.373 4.719 4.350 -0.007 0.000 0.285 406 T C 0.330 174.982 174.700 -0.080 0.000 0.995 406 T CA -0.539 61.497 62.100 -0.107 0.000 0.970 406 T CB 0.884 69.696 68.868 -0.093 0.000 0.976 406 T HN 0.791 nan 8.240 nan 0.000 0.441 407 N N 1.650 120.307 118.700 -0.071 0.000 2.721 407 N HA -0.237 4.499 4.740 -0.007 0.000 0.249 407 N C 1.068 176.553 175.510 -0.041 0.000 1.072 407 N CA 0.761 53.781 53.050 -0.051 0.000 0.710 407 N CB -0.997 37.464 38.487 -0.042 0.000 0.993 407 N HN 1.211 nan 8.380 nan 0.000 0.547 408 G N -1.505 107.269 108.800 -0.043 0.000 2.184 408 G HA2 -0.330 3.626 3.960 -0.007 0.000 0.264 408 G HA3 -0.330 3.626 3.960 -0.007 0.000 0.264 408 G C -0.006 174.878 174.900 -0.026 0.000 0.975 408 G CA 0.604 45.688 45.100 -0.028 0.000 0.642 408 G HN 0.379 nan 8.290 nan 0.000 0.536 409 L N 1.120 122.317 121.223 -0.043 0.000 2.296 409 L HA 0.653 4.989 4.340 -0.007 0.000 0.286 409 L C 1.124 177.943 176.870 -0.085 0.000 1.023 409 L CA -0.561 54.255 54.840 -0.039 0.000 0.812 409 L CB 1.818 43.859 42.059 -0.031 0.000 1.223 409 L HN 0.155 nan 8.230 nan 0.000 0.421 410 G N 4.335 113.099 108.800 -0.059 0.000 2.378 410 G HA2 0.515 4.471 3.960 -0.007 0.000 0.255 410 G HA3 0.515 4.471 3.960 -0.007 0.000 0.255 410 G C -0.483 174.326 174.900 -0.152 0.000 1.270 410 G CA -0.197 44.795 45.100 -0.180 0.000 0.876 410 G HN 0.479 nan 8.290 nan 0.000 0.521 411 I N 2.190 122.561 120.570 -0.332 0.000 2.436 411 I HA 0.161 4.327 4.170 -0.007 0.000 0.289 411 I C -0.724 175.365 176.117 -0.048 0.000 1.010 411 I CA -1.107 60.120 61.300 -0.121 0.000 1.098 411 I CB 1.992 39.935 38.000 -0.096 0.000 1.266 411 I HN 0.292 nan 8.210 nan 0.000 0.434 412 N N 5.570 124.343 118.700 0.122 0.000 2.475 412 N HA 0.284 5.020 4.740 -0.007 0.000 0.267 412 N C -0.685 174.975 175.510 0.250 0.000 1.169 412 N CA -0.040 53.140 53.050 0.216 0.000 0.947 412 N CB 1.538 40.130 38.487 0.175 0.000 1.061 412 N HN 0.201 nan 8.380 nan 0.000 0.466 413 V N 3.619 123.700 119.914 0.279 0.000 2.680 413 V HA 0.723 4.839 4.120 -0.007 0.000 0.309 413 V C -0.497 175.833 176.094 0.393 0.000 1.052 413 V CA -0.683 61.772 62.300 0.258 0.000 0.908 413 V CB 1.031 32.946 31.823 0.153 0.000 1.001 413 V HN 0.653 nan 8.190 nan 0.000 0.431 414 F N 2.085 122.084 119.950 0.083 0.000 2.770 414 F HA 0.719 5.242 4.527 -0.007 0.000 0.313 414 F C -1.071 174.768 175.800 0.065 0.000 1.154 414 F CA -1.373 56.678 58.000 0.084 0.000 0.923 414 F CB 1.563 40.603 39.000 0.067 0.000 1.301 414 F HN 0.479 nan 8.300 nan 0.000 0.449 415 K N 0.454 120.914 120.400 0.100 0.000 2.208 415 K HA 0.712 5.027 4.320 -0.007 0.000 0.247 415 K C -1.859 174.852 176.600 0.185 0.000 0.953 415 K CA -0.739 55.546 56.287 -0.004 0.000 0.837 415 K CB 2.261 34.773 32.500 0.020 0.000 1.131 415 K HN 0.701 nan 8.250 nan 0.000 0.431 416 D N 2.213 122.680 120.400 0.112 0.000 2.668 416 D HA 0.283 4.919 4.640 -0.007 0.000 0.247 416 D C -2.597 173.754 176.300 0.085 0.000 1.268 416 D CA -1.206 52.896 54.000 0.170 0.000 0.842 416 D CB 0.813 41.805 40.800 0.320 0.000 1.399 416 D HN 0.381 nan 8.370 nan 0.000 0.530 417 P HA 0.048 nan 4.420 nan 0.000 0.271 417 P C 1.164 178.485 177.300 0.035 0.000 1.220 417 P CA -0.498 62.621 63.100 0.033 0.000 0.768 417 P CB 1.554 33.268 31.700 0.025 0.000 0.848 418 V N 3.104 123.034 119.914 0.027 0.000 2.392 418 V HA -0.257 3.859 4.120 -0.007 0.000 0.249 418 V C 1.728 177.835 176.094 0.023 0.000 1.059 418 V CA 2.722 65.038 62.300 0.027 0.000 1.051 418 V CB -0.933 30.902 31.823 0.020 0.000 0.658 418 V HN 0.695 nan 8.190 nan 0.000 0.455 419 A N -1.436 121.394 122.820 0.018 0.000 2.275 419 A HA 0.188 4.504 4.320 -0.007 0.000 0.212 419 A C 0.745 178.338 177.584 0.016 0.000 1.201 419 A CA 0.691 52.737 52.037 0.015 0.000 0.843 419 A CB -0.035 18.971 19.000 0.010 0.000 0.873 419 A HN 0.559 nan 8.150 nan 0.000 0.492 420 D N -1.199 119.213 120.400 0.020 0.000 2.381 420 D HA 0.300 4.935 4.640 -0.007 0.000 0.245 420 D C -2.506 173.811 176.300 0.028 0.000 1.297 420 D CA -1.371 52.641 54.000 0.020 0.000 0.931 420 D CB 1.354 42.163 40.800 0.015 0.000 1.334 420 D HN -0.094 nan 8.370 nan 0.000 0.535 421 P HA -0.024 nan 4.420 nan 0.000 0.225 421 P C 1.049 178.370 177.300 0.034 0.000 1.148 421 P CA 0.547 63.669 63.100 0.036 0.000 0.779 421 P CB 0.378 32.096 31.700 0.030 0.000 0.780 422 N N -0.239 118.477 118.700 0.027 0.000 2.396 422 N HA -0.076 4.660 4.740 -0.007 0.000 0.180 422 N C 1.167 176.692 175.510 0.024 0.000 1.028 422 N CA 0.898 53.962 53.050 0.023 0.000 0.893 422 N CB -0.140 38.357 38.487 0.016 0.000 0.967 422 N HN 0.314 nan 8.380 nan 0.000 0.440 423 K N 0.760 121.177 120.400 0.029 0.000 2.444 423 K HA 0.078 4.394 4.320 -0.007 0.000 0.193 423 K C 0.639 177.274 176.600 0.059 0.000 1.024 423 K CA -0.220 56.085 56.287 0.031 0.000 1.077 423 K CB 0.452 32.966 32.500 0.023 0.000 0.833 423 K HN 0.075 nan 8.250 nan 0.000 0.517 424 R N 2.299 122.844 120.500 0.075 0.000 2.522 424 R HA -0.009 4.327 4.340 -0.007 0.000 0.284 424 R C -0.152 176.225 176.300 0.130 0.000 1.032 424 R CA 0.244 56.416 56.100 0.119 0.000 1.049 424 R CB 0.508 30.869 30.300 0.101 0.000 0.956 424 R HN 0.053 nan 8.270 nan 0.000 0.422 425 S N 3.298 119.115 115.700 0.196 0.000 2.722 425 S HA 0.393 4.859 4.470 -0.007 0.000 0.292 425 S C -0.464 174.263 174.600 0.211 0.000 1.135 425 S CA -0.973 57.370 58.200 0.240 0.000 1.003 425 S CB 1.783 65.145 63.200 0.269 0.000 1.067 425 S HN 0.551 nan 8.310 nan 0.000 0.546 426 K N 0.713 121.223 120.400 0.184 0.000 2.126 426 K HA 0.329 4.645 4.320 -0.007 0.000 0.257 426 K C -0.374 176.221 176.600 -0.009 0.000 1.007 426 K CA -0.432 55.822 56.287 -0.055 0.000 0.928 426 K CB 0.553 32.845 32.500 -0.346 0.000 1.013 426 K HN 0.514 nan 8.250 nan 0.000 0.473 427 K N 1.051 121.411 120.400 -0.066 0.000 2.206 427 K HA 0.407 4.723 4.320 -0.007 0.000 0.264 427 K C 0.095 176.693 176.600 -0.003 0.000 0.967 427 K CA -0.480 55.811 56.287 0.007 0.000 0.844 427 K CB 1.713 34.153 32.500 -0.099 0.000 1.099 427 K HN 0.859 nan 8.250 nan 0.000 0.441 428 G N 2.144 111.002 108.800 0.096 0.000 2.693 428 G HA2 -0.272 3.684 3.960 -0.007 0.000 0.226 428 G HA3 -0.272 3.684 3.960 -0.007 0.000 0.226 428 G C -0.818 173.977 174.900 -0.174 0.000 1.354 428 G CA -0.802 44.321 45.100 0.039 0.000 0.873 428 G HN 0.629 nan 8.290 nan 0.000 0.562 429 R N -0.461 119.726 120.500 -0.522 0.000 2.442 429 R HA 0.450 4.786 4.340 -0.007 0.000 0.291 429 R C 0.366 176.515 176.300 -0.252 0.000 1.069 429 R CA 0.044 55.745 56.100 -0.667 0.000 1.022 429 R CB 0.165 29.973 30.300 -0.820 0.000 0.976 429 R HN 0.429 nan 8.270 nan 0.000 0.443 430 L N 1.477 122.668 121.223 -0.053 0.000 2.330 430 L HA 0.566 4.902 4.340 -0.007 0.000 0.271 430 L C -0.061 176.813 176.870 0.006 0.000 1.013 430 L CA -0.735 54.085 54.840 -0.034 0.000 0.816 430 L CB 2.043 44.047 42.059 -0.092 0.000 1.287 430 L HN 0.738 nan 8.230 nan 0.000 0.435 431 S N 1.427 117.122 115.700 -0.009 0.000 2.550 431 S HA 0.676 5.142 4.470 -0.007 0.000 0.270 431 S C -1.306 173.230 174.600 -0.105 0.000 1.145 431 S CA -0.802 57.369 58.200 -0.049 0.000 0.852 431 S CB 2.173 65.386 63.200 0.021 0.000 1.119 431 S HN 0.441 nan 8.310 nan 0.000 0.465 432 L N 2.038 123.106 121.223 -0.258 0.000 2.307 432 L HA 0.767 5.103 4.340 -0.007 0.000 0.284 432 L C -1.232 175.403 176.870 -0.392 0.000 1.023 432 L CA 0.161 54.902 54.840 -0.164 0.000 0.810 432 L CB 1.015 43.056 42.059 -0.030 0.000 1.231 432 L HN 0.966 nan 8.230 nan 0.000 0.423 433 H N 2.022 121.092 119.070 0.001 0.000 2.894 433 H HA 0.655 5.207 4.556 -0.007 0.000 0.368 433 H C -0.940 174.367 175.328 -0.034 0.000 1.181 433 H CA -0.944 55.083 56.048 -0.035 0.000 1.146 433 H CB 1.279 30.927 29.762 -0.189 0.000 1.839 433 H HN 0.406 nan 8.280 nan 0.000 0.557 434 R N 0.803 121.363 120.500 0.100 0.000 2.308 434 R HA 0.285 4.621 4.340 -0.007 0.000 0.305 434 R C -0.257 176.120 176.300 0.128 0.000 1.053 434 R CA -0.361 55.718 56.100 -0.035 0.000 0.957 434 R CB 0.501 30.764 30.300 -0.060 0.000 1.022 434 R HN 0.851 nan 8.270 nan 0.000 0.461 435 T N 1.230 115.827 114.554 0.073 0.000 2.849 435 T HA 0.290 4.636 4.350 -0.007 0.000 0.284 435 T C -1.601 173.154 174.700 0.091 0.000 1.004 435 T CA -1.558 60.663 62.100 0.201 0.000 1.021 435 T CB 1.098 70.048 68.868 0.137 0.000 1.013 435 T HN 0.373 nan 8.240 nan 0.000 0.527 436 P HA 0.019 nan 4.420 nan 0.000 0.218 436 P C 1.262 178.558 177.300 -0.007 0.000 1.148 436 P CA 1.143 64.243 63.100 0.000 0.000 0.822 436 P CB -0.263 31.419 31.700 -0.030 0.000 0.784 437 A N -1.123 121.696 122.820 -0.000 0.000 2.238 437 A HA 0.418 4.734 4.320 -0.007 0.000 0.208 437 A C 1.587 179.152 177.584 -0.033 0.000 1.177 437 A CA 0.752 52.782 52.037 -0.012 0.000 0.804 437 A CB -1.260 17.738 19.000 -0.002 0.000 0.823 437 A HN 0.255 nan 8.150 nan 0.000 0.482 438 G N -0.747 108.022 108.800 -0.052 0.000 2.132 438 G HA2 -0.254 3.702 3.960 -0.007 0.000 0.234 438 G HA3 -0.254 3.702 3.960 -0.007 0.000 0.234 438 G C -0.017 174.770 174.900 -0.188 0.000 0.989 438 G CA 0.290 45.324 45.100 -0.110 0.000 0.676 438 G HN 0.651 nan 8.290 nan 0.000 0.522 439 N N -1.205 117.408 118.700 -0.146 0.000 2.538 439 N HA 0.767 5.503 4.740 -0.007 0.000 0.292 439 N C -0.459 174.885 175.510 -0.276 0.000 1.262 439 N CA -0.693 52.270 53.050 -0.146 0.000 0.976 439 N CB 0.554 39.044 38.487 0.007 0.000 1.161 439 N HN 0.058 nan 8.380 nan 0.000 0.598 440 F N 0.269 120.237 119.950 0.031 0.000 2.450 440 F HA 0.567 5.090 4.527 -0.006 0.000 0.332 440 F C -0.014 175.784 175.800 -0.004 0.000 1.093 440 F CA -0.723 57.291 58.000 0.024 0.000 1.003 440 F CB 1.403 40.422 39.000 0.032 0.000 1.151 440 F HN -0.042 nan 8.300 nan 0.000 0.474 441 V N 2.428 122.421 119.914 0.132 0.000 2.638 441 V HA 0.506 4.622 4.120 -0.007 0.000 0.306 441 V C -0.763 175.332 176.094 0.003 0.000 1.052 441 V CA -0.267 62.034 62.300 0.002 0.000 0.885 441 V CB 2.228 33.944 31.823 -0.178 0.000 0.999 441 V HN 0.776 nan 8.190 nan 0.000 0.424 442 T N 8.245 122.794 114.554 -0.010 0.000 2.733 442 T HA 0.529 4.875 4.350 -0.007 0.000 0.294 442 T C -0.238 174.426 174.700 -0.060 0.000 0.956 442 T CA -0.057 62.029 62.100 -0.023 0.000 0.987 442 T CB 0.390 69.231 68.868 -0.044 0.000 0.920 442 T HN 0.497 nan 8.240 nan 0.000 0.470 443 L N 3.789 124.991 121.223 -0.034 0.000 2.312 443 L HA 0.498 4.834 4.340 -0.007 0.000 0.281 443 L C 0.695 177.522 176.870 -0.071 0.000 1.070 443 L CA -0.672 54.125 54.840 -0.073 0.000 0.805 443 L CB 1.117 43.113 42.059 -0.104 0.000 1.174 443 L HN 0.580 nan 8.230 nan 0.000 0.434 444 E N 1.387 121.533 120.200 -0.090 0.000 2.264 444 E HA 0.304 4.650 4.350 -0.007 0.000 0.260 444 E C -0.525 176.016 176.600 -0.098 0.000 0.961 444 E CA -0.790 55.544 56.400 -0.108 0.000 0.834 444 E CB 1.125 30.753 29.700 -0.119 0.000 1.230 444 E HN 0.495 nan 8.360 nan 0.000 0.412 445 E N -0.295 119.841 120.200 -0.107 0.000 2.586 445 E HA -0.279 4.067 4.350 -0.007 0.000 0.259 445 E C 0.440 176.970 176.600 -0.117 0.000 1.107 445 E CA 0.251 56.595 56.400 -0.093 0.000 0.754 445 E CB -1.828 27.836 29.700 -0.060 0.000 1.335 445 E HN 1.006 nan 8.360 nan 0.000 0.411 446 G N 0.213 108.915 108.800 -0.164 0.000 2.166 446 G HA2 -0.425 3.531 3.960 -0.007 0.000 0.260 446 G HA3 -0.425 3.531 3.960 -0.007 0.000 0.260 446 G C 0.718 175.566 174.900 -0.086 0.000 0.986 446 G CA 0.957 45.963 45.100 -0.157 0.000 0.683 446 G HN 0.394 nan 8.290 nan 0.000 0.527 447 K N 0.056 120.414 120.400 -0.069 0.000 2.515 447 K HA 0.089 4.405 4.320 -0.007 0.000 0.196 447 K C 2.573 179.146 176.600 -0.046 0.000 1.038 447 K CA 0.724 56.982 56.287 -0.049 0.000 0.967 447 K CB -0.243 32.229 32.500 -0.046 0.000 0.780 447 K HN 0.395 nan 8.250 nan 0.000 0.483 448 G N 1.096 109.883 108.800 -0.021 0.000 2.484 448 G HA2 -0.197 3.759 3.960 -0.007 0.000 0.218 448 G HA3 -0.197 3.759 3.960 -0.007 0.000 0.218 448 G C 0.830 175.756 174.900 0.043 0.000 1.130 448 G CA 0.483 45.602 45.100 0.031 0.000 0.784 448 G HN 0.216 nan 8.290 nan 0.000 0.543 449 D N 0.636 121.039 120.400 0.006 0.000 2.264 449 D HA -0.033 4.603 4.640 -0.007 0.000 0.208 449 D C 2.481 178.780 176.300 -0.002 0.000 0.966 449 D CA 0.265 54.265 54.000 0.001 0.000 0.864 449 D CB -0.056 40.730 40.800 -0.024 0.000 0.933 449 D HN 0.328 nan 8.370 nan 0.000 0.499 450 L N 0.276 121.492 121.223 -0.012 0.000 2.275 450 L HA -0.050 4.285 4.340 -0.007 0.000 0.215 450 L C 0.490 177.353 176.870 -0.012 0.000 1.119 450 L CA 0.511 55.343 54.840 -0.015 0.000 0.790 450 L CB -0.537 41.510 42.059 -0.020 0.000 0.919 450 L HN -0.006 nan 8.230 nan 0.000 0.443 451 E N -0.349 119.849 120.200 -0.002 0.000 2.586 451 E HA -0.264 4.082 4.350 -0.007 0.000 0.259 451 E C 0.790 177.378 176.600 -0.019 0.000 1.107 451 E CA 0.535 56.941 56.400 0.010 0.000 0.754 451 E CB -0.945 28.766 29.700 0.019 0.000 1.335 451 E HN 0.607 nan 8.360 nan 0.000 0.411 452 E N -1.004 119.169 120.200 -0.043 0.000 2.358 452 E HA -0.084 4.262 4.350 -0.007 0.000 0.195 452 E C 0.475 176.907 176.600 -0.280 0.000 1.010 452 E CA 0.776 57.091 56.400 -0.142 0.000 0.856 452 E CB 0.166 29.773 29.700 -0.156 0.000 0.795 452 E HN 0.360 nan 8.360 nan 0.000 0.504 453 Y N 0.060 120.269 120.300 -0.152 0.000 2.679 453 Y HA 0.427 4.973 4.550 -0.007 0.000 0.331 453 Y C 1.423 177.311 175.900 -0.019 0.000 1.183 453 Y CA -0.767 57.264 58.100 -0.115 0.000 1.290 453 Y CB 0.177 38.495 38.460 -0.237 0.000 1.489 453 Y HN -0.170 nan 8.280 nan 0.000 0.583 454 G N -0.519 108.441 108.800 0.267 0.000 2.468 454 G HA2 0.176 4.132 3.960 -0.007 0.000 0.264 454 G HA3 0.176 4.132 3.960 -0.007 0.000 0.264 454 G C -0.588 174.477 174.900 0.274 0.000 1.460 454 G CA -0.507 44.715 45.100 0.204 0.000 1.060 454 G HN 0.340 nan 8.290 nan 0.000 0.543 455 Q N -0.066 119.833 119.800 0.166 0.000 2.368 455 Q HA 0.156 4.492 4.340 -0.007 0.000 0.237 455 Q C -0.360 175.645 176.000 0.008 0.000 0.987 455 Q CA -0.487 55.381 55.803 0.109 0.000 0.896 455 Q CB 1.021 29.779 28.738 0.034 0.000 1.241 455 Q HN 0.576 nan 8.270 nan 0.000 0.485 456 D N 0.802 121.140 120.400 -0.103 0.000 2.487 456 D HA -0.049 4.587 4.640 -0.007 0.000 0.243 456 D C 0.585 176.738 176.300 -0.245 0.000 1.154 456 D CA 0.380 54.184 54.000 -0.327 0.000 0.876 456 D CB 0.495 41.184 40.800 -0.184 0.000 1.161 456 D HN 0.417 nan 8.370 nan 0.000 0.478 457 L N 2.957 124.037 121.223 -0.239 0.000 2.492 457 L HA 0.035 4.371 4.340 -0.007 0.000 0.223 457 L C 0.559 177.330 176.870 -0.165 0.000 1.132 457 L CA -0.249 54.516 54.840 -0.125 0.000 0.850 457 L CB -0.189 41.909 42.059 0.066 0.000 0.966 457 L HN 0.333 nan 8.230 nan 0.000 0.454 458 L N 0.147 121.278 121.223 -0.154 0.000 2.426 458 L HA 0.094 4.430 4.340 -0.007 0.000 0.271 458 L C 0.376 177.161 176.870 -0.141 0.000 1.169 458 L CA 0.577 55.369 54.840 -0.081 0.000 0.836 458 L CB 0.003 42.038 42.059 -0.039 0.000 1.112 458 L HN 0.042 nan 8.230 nan 0.000 0.465 459 H N 1.134 120.211 119.070 0.011 0.000 2.499 459 H HA 0.271 4.823 4.556 -0.007 0.000 0.340 459 H C -0.399 174.965 175.328 0.061 0.000 1.148 459 H CA -0.824 55.249 56.048 0.042 0.000 1.215 459 H CB 1.312 31.117 29.762 0.073 0.000 1.529 459 H HN 0.439 nan 8.280 nan 0.000 0.510 460 T N 2.646 117.298 114.554 0.164 0.000 2.761 460 T HA 0.043 4.389 4.350 -0.007 0.000 0.287 460 T C 1.646 176.428 174.700 0.136 0.000 0.931 460 T CA -0.201 61.978 62.100 0.132 0.000 1.164 460 T CB -0.026 68.893 68.868 0.086 0.000 0.876 460 T HN 0.519 nan 8.240 nan 0.000 0.534 461 V N 1.382 121.391 119.914 0.158 0.000 3.565 461 V HA 0.537 4.652 4.120 -0.007 0.000 0.260 461 V C 0.067 176.274 176.094 0.187 0.000 1.231 461 V CA 0.019 62.408 62.300 0.148 0.000 1.100 461 V CB -0.394 31.532 31.823 0.173 0.000 0.807 461 V HN 0.626 nan 8.190 nan 0.000 0.454 462 F N 0.981 120.943 119.950 0.022 0.000 2.574 462 F HA 0.750 5.273 4.527 -0.006 0.000 0.313 462 F C -0.750 175.060 175.800 0.016 0.000 1.130 462 F CA -0.841 57.164 58.000 0.008 0.000 0.936 462 F CB 1.790 40.787 39.000 -0.004 0.000 1.219 462 F HN -0.069 nan 8.300 nan 0.000 0.445 463 K N 4.729 124.837 120.400 -0.486 0.000 2.589 463 K HA 0.265 4.580 4.320 -0.007 0.000 0.253 463 K C -0.928 175.417 176.600 -0.426 0.000 0.974 463 K CA -0.572 55.546 56.287 -0.282 0.000 0.835 463 K CB 1.036 33.470 32.500 -0.111 0.000 1.272 463 K HN 0.769 nan 8.250 nan 0.000 0.444 464 N N 2.487 121.023 118.700 -0.272 0.000 2.714 464 N HA -0.224 4.512 4.740 -0.007 0.000 0.252 464 N C 0.491 175.893 175.510 -0.180 0.000 1.014 464 N CA 1.747 54.680 53.050 -0.193 0.000 0.735 464 N CB -1.217 37.191 38.487 -0.131 0.000 0.924 464 N HN 1.112 nan 8.380 nan 0.000 0.540 465 G N -1.653 106.933 108.800 -0.355 0.000 2.176 465 G HA2 -0.332 3.624 3.960 -0.007 0.000 0.253 465 G HA3 -0.332 3.624 3.960 -0.007 0.000 0.253 465 G C -0.045 174.671 174.900 -0.307 0.000 0.979 465 G CA 0.675 45.694 45.100 -0.134 0.000 0.641 465 G HN 0.510 nan 8.290 nan 0.000 0.530 466 K N 0.350 120.389 120.400 -0.602 0.000 2.221 466 K HA 0.592 4.908 4.320 -0.007 0.000 0.258 466 K C 0.027 176.360 176.600 -0.444 0.000 0.944 466 K CA -0.859 55.210 56.287 -0.363 0.000 0.823 466 K CB 2.830 35.205 32.500 -0.208 0.000 1.113 466 K HN 0.007 nan 8.250 nan 0.000 0.431 467 V N 3.017 122.840 119.914 -0.152 0.000 2.470 467 V HA -0.010 4.106 4.120 -0.007 0.000 0.276 467 V C 1.314 177.369 176.094 -0.065 0.000 1.040 467 V CA 0.323 62.605 62.300 -0.029 0.000 1.008 467 V CB 0.671 32.513 31.823 0.032 0.000 0.990 467 V HN 1.012 nan 8.190 nan 0.000 0.477 468 T N 1.142 115.667 114.554 -0.048 0.000 3.001 468 T HA 0.267 4.613 4.350 -0.007 0.000 0.251 468 T C 0.340 175.011 174.700 -0.049 0.000 1.040 468 T CA -0.200 61.870 62.100 -0.050 0.000 0.985 468 T CB 0.205 69.049 68.868 -0.040 0.000 1.011 468 T HN 0.483 nan 8.240 nan 0.000 0.509 469 K N 0.651 121.014 120.400 -0.061 0.000 2.550 469 K HA 0.602 4.918 4.320 -0.007 0.000 0.252 469 K C -1.698 174.754 176.600 -0.246 0.000 0.943 469 K CA -0.346 55.842 56.287 -0.165 0.000 0.806 469 K CB 2.154 34.570 32.500 -0.140 0.000 1.289 469 K HN 0.045 nan 8.250 nan 0.000 0.435 470 S N 1.948 117.406 115.700 -0.403 0.000 2.599 470 S HA 0.634 5.100 4.470 -0.007 0.000 0.287 470 S C -1.702 172.537 174.600 -0.602 0.000 1.105 470 S CA -0.636 57.362 58.200 -0.337 0.000 0.899 470 S CB 0.765 63.879 63.200 -0.143 0.000 1.100 470 S HN 0.450 nan 8.310 nan 0.000 0.482 471 Y N 0.863 121.223 120.300 0.100 0.000 2.442 471 Y HA 0.477 5.022 4.550 -0.007 0.000 0.344 471 Y C 0.588 176.636 175.900 0.248 0.000 0.976 471 Y CA -0.924 57.262 58.100 0.144 0.000 1.040 471 Y CB 1.564 40.116 38.460 0.152 0.000 1.228 471 Y HN 0.713 nan 8.280 nan 0.000 0.451 472 S N 1.367 117.261 115.700 0.323 0.000 2.614 472 S HA 0.151 4.617 4.470 -0.007 0.000 0.265 472 S C 0.633 175.448 174.600 0.357 0.000 1.303 472 S CA -0.468 57.923 58.200 0.319 0.000 1.000 472 S CB 0.521 63.840 63.200 0.199 0.000 0.935 472 S HN 0.658 nan 8.310 nan 0.000 0.551 473 F N 1.146 121.211 119.950 0.190 0.000 2.269 473 F HA -0.036 4.487 4.527 -0.007 0.000 0.301 473 F C 1.685 177.481 175.800 -0.007 0.000 1.082 473 F CA 1.423 59.448 58.000 0.042 0.000 1.360 473 F CB -0.333 38.670 39.000 0.006 0.000 1.041 473 F HN 0.629 nan 8.300 nan 0.000 0.512 474 D N 0.044 120.503 120.400 0.098 0.000 2.117 474 D HA -0.154 4.481 4.640 -0.007 0.000 0.198 474 D C 2.069 178.350 176.300 -0.032 0.000 0.982 474 D CA 1.298 55.304 54.000 0.011 0.000 0.828 474 D CB -0.384 40.454 40.800 0.062 0.000 0.967 474 D HN 0.436 nan 8.370 nan 0.000 0.464 475 E N 0.524 120.746 120.200 0.037 0.000 2.051 475 E HA -0.128 4.218 4.350 -0.007 0.000 0.192 475 E C 2.377 178.965 176.600 -0.020 0.000 0.991 475 E CA 0.546 56.982 56.400 0.060 0.000 0.799 475 E CB -0.060 29.751 29.700 0.186 0.000 0.748 475 E HN 0.292 nan 8.360 nan 0.000 0.449 476 I N 0.772 121.282 120.570 -0.099 0.000 2.179 476 I HA -0.281 3.885 4.170 -0.007 0.000 0.242 476 I C 2.565 178.483 176.117 -0.332 0.000 1.088 476 I CA 1.164 62.330 61.300 -0.223 0.000 1.357 476 I CB -0.209 37.580 38.000 -0.352 0.000 1.051 476 I HN 0.014 nan 8.210 nan 0.000 0.409 477 R N 0.717 120.944 120.500 -0.456 0.000 2.091 477 R HA -0.177 4.159 4.340 -0.007 0.000 0.238 477 R C 2.343 178.498 176.300 -0.243 0.000 1.136 477 R CA 1.413 57.267 56.100 -0.411 0.000 0.959 477 R CB -0.228 29.830 30.300 -0.403 0.000 0.856 477 R HN 0.324 nan 8.270 nan 0.000 0.437 478 K N 0.126 120.428 120.400 -0.162 0.000 2.057 478 K HA -0.097 4.219 4.320 -0.007 0.000 0.207 478 K C 1.752 178.296 176.600 -0.093 0.000 1.049 478 K CA 1.272 57.498 56.287 -0.101 0.000 0.931 478 K CB -0.110 32.362 32.500 -0.047 0.000 0.714 478 K HN 0.153 nan 8.250 nan 0.000 0.440 479 N N 0.666 119.323 118.700 -0.072 0.000 2.223 479 N HA -0.121 4.615 4.740 -0.007 0.000 0.185 479 N C 1.284 176.728 175.510 -0.110 0.000 1.016 479 N CA 1.149 54.165 53.050 -0.057 0.000 0.863 479 N CB -0.066 38.477 38.487 0.094 0.000 0.983 479 N HN 0.163 nan 8.380 nan 0.000 0.429 480 A N 0.936 123.673 122.820 -0.138 0.000 2.345 480 A HA 0.024 4.340 4.320 -0.007 0.000 0.225 480 A C 0.832 178.317 177.584 -0.164 0.000 1.243 480 A CA -0.364 51.583 52.037 -0.150 0.000 0.875 480 A CB -0.302 18.579 19.000 -0.198 0.000 0.929 480 A HN 0.420 nan 8.150 nan 0.000 0.502 481 Q N 0.087 119.791 119.800 -0.159 0.000 2.454 481 Q HA 0.414 4.750 4.340 -0.007 0.000 0.247 481 Q C -0.662 175.261 176.000 -0.128 0.000 1.028 481 Q CA -0.268 55.441 55.803 -0.157 0.000 0.910 481 Q CB 0.426 29.082 28.738 -0.137 0.000 1.276 481 Q HN 0.382 nan 8.270 nan 0.000 0.489 482 L N 1.930 123.077 121.223 -0.126 0.000 2.417 482 L HA 0.219 4.555 4.340 -0.007 0.000 0.268 482 L C 0.586 177.411 176.870 -0.076 0.000 1.158 482 L CA -0.817 53.966 54.840 -0.095 0.000 0.819 482 L CB 0.292 42.293 42.059 -0.096 0.000 1.112 482 L HN 0.710 nan 8.230 nan 0.000 0.458 483 N N 0.000 118.665 118.700 -0.059 0.000 1.763 483 N HA 0.000 4.736 4.740 -0.007 0.000 0.220 483 N CA 0.000 53.021 53.050 -0.049 0.000 0.885 483 N CB 0.000 38.464 38.487 -0.039 0.000 1.341 483 N HN 0.000 nan 8.380 nan 0.000 0.667