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 1cs0_1_D DATA FIRST_RESID 2 DATA SEQUENCE IKSALLVLED GTQFHGRAIG ATGSAVGEVV FNTSMTGYQE ILTDPSYSRQ DATA SEQUENCE IVTLTYPHIG NVGTNDADEE SSQVHAQGLV IRDLPLIASN FRNTEDLSSY DATA SEQUENCE LKRHNIVAIA DIDTRKLTRL LREKGAQNGC IIAGDNPDAA LALEKARAFP DATA SEQUENCE GLNGMDLAKE VTTAEAYSWT QGSWTLTGGL PEAKKEDELP FHVVAYDFGA DATA SEQUENCE KRNILRMLVD RGCRLTIVPA QTSAEDVLKM NPDGIFLSNG PGDPAPCDYA DATA SEQUENCE ITAIQKFLET DIPVFGIXLG HQLLALASGA KTVKMKFGHH GGNHPVKDVE DATA SEQUENCE KNVVMITAQN HGFAVDEATL PANLRVTHKS LFDGTLQGIH RTDKPAFSFQ DATA SEQUENCE GHPEASPGPH DAAPLFDHFI ELIEQYRKT 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.121 176.117 0.006 0.000 1.063 2 I CA 0.000 61.303 61.300 0.004 0.000 1.566 2 I CB 0.000 38.002 38.000 0.004 0.000 1.214 3 K N 5.282 125.687 120.400 0.008 0.000 2.527 3 K HA 0.617 4.937 4.320 0.001 0.000 0.240 3 K C -0.722 175.886 176.600 0.013 0.000 0.989 3 K CA -0.470 55.822 56.287 0.009 0.000 0.985 3 K CB 1.407 33.911 32.500 0.006 0.000 1.221 3 K HN 0.675 nan 8.250 nan 0.000 0.458 4 S N 1.176 116.887 115.700 0.018 0.000 2.603 4 S HA 0.655 5.126 4.470 0.001 0.000 0.268 4 S C -0.374 174.242 174.600 0.025 0.000 1.317 4 S CA -0.657 57.560 58.200 0.029 0.000 1.012 4 S CB 1.396 64.621 63.200 0.042 0.000 0.926 4 S HN 0.655 nan 8.310 nan 0.000 0.539 5 A N 1.006 123.846 122.820 0.033 0.000 2.574 5 A HA 0.760 5.081 4.320 0.001 0.000 0.297 5 A C -1.684 175.908 177.584 0.013 0.000 1.062 5 A CA -0.594 51.452 52.037 0.016 0.000 0.686 5 A CB 1.230 20.230 19.000 0.000 0.000 1.285 5 A HN 0.681 nan 8.150 nan 0.000 0.403 6 L N 1.233 122.445 121.223 -0.018 0.000 2.434 6 L HA 0.906 5.247 4.340 0.001 0.000 0.260 6 L C -1.955 174.879 176.870 -0.061 0.000 0.983 6 L CA -0.609 54.184 54.840 -0.078 0.000 0.820 6 L CB 2.067 44.077 42.059 -0.081 0.000 1.361 6 L HN 0.894 nan 8.230 nan 0.000 0.410 7 L N 5.179 126.368 121.223 -0.057 0.000 2.376 7 L HA 0.853 5.194 4.340 0.001 0.000 0.275 7 L C -1.619 175.295 176.870 0.074 0.000 0.987 7 L CA -0.288 54.559 54.840 0.013 0.000 0.828 7 L CB 1.943 44.009 42.059 0.012 0.000 1.249 7 L HN 0.412 nan 8.230 nan 0.000 0.409 8 V N 5.773 125.710 119.914 0.039 0.000 2.588 8 V HA 0.501 4.621 4.120 0.001 0.000 0.304 8 V C 0.070 176.200 176.094 0.059 0.000 1.042 8 V CA -0.677 61.649 62.300 0.043 0.000 0.877 8 V CB 1.649 33.469 31.823 -0.004 0.000 0.996 8 V HN 0.670 nan 8.190 nan 0.000 0.425 9 L N 2.073 123.349 121.223 0.089 0.000 2.416 9 L HA 0.468 4.809 4.340 0.001 0.000 0.262 9 L C 1.647 178.549 176.870 0.052 0.000 1.093 9 L CA -0.430 54.458 54.840 0.080 0.000 0.801 9 L CB 1.142 43.274 42.059 0.120 0.000 1.191 9 L HN 0.712 nan 8.230 nan 0.000 0.459 10 E N 0.828 121.061 120.200 0.054 0.000 2.097 10 E HA -0.269 4.082 4.350 0.001 0.000 0.196 10 E C 1.073 177.699 176.600 0.043 0.000 1.000 10 E CA 1.911 58.344 56.400 0.055 0.000 0.804 10 E CB 0.090 29.828 29.700 0.064 0.000 0.740 10 E HN 0.757 nan 8.360 nan 0.000 0.454 11 D N -1.302 119.122 120.400 0.041 0.000 2.363 11 D HA -0.046 4.595 4.640 0.001 0.000 0.226 11 D C 1.274 177.583 176.300 0.014 0.000 1.020 11 D CA 1.057 55.074 54.000 0.029 0.000 0.892 11 D CB 0.265 41.084 40.800 0.032 0.000 0.900 11 D HN 0.299 nan 8.370 nan 0.000 0.531 12 G N -0.430 108.377 108.800 0.013 0.000 2.217 12 G HA2 -0.266 3.694 3.960 0.001 0.000 0.246 12 G HA3 -0.266 3.694 3.960 0.001 0.000 0.246 12 G C 0.456 175.333 174.900 -0.037 0.000 0.990 12 G CA 0.255 45.351 45.100 -0.006 0.000 0.627 12 G HN 0.472 nan 8.290 nan 0.000 0.522 13 T N 2.114 116.643 114.554 -0.043 0.000 2.871 13 T HA 0.404 4.755 4.350 0.001 0.000 0.296 13 T C 0.396 174.962 174.700 -0.224 0.000 0.998 13 T CA 0.690 62.702 62.100 -0.146 0.000 1.162 13 T CB 0.940 69.741 68.868 -0.113 0.000 0.947 13 T HN 0.559 nan 8.240 nan 0.000 0.536 14 Q N 1.464 121.027 119.800 -0.396 0.000 2.266 14 Q HA 0.630 4.971 4.340 0.001 0.000 0.261 14 Q C -1.140 174.411 176.000 -0.747 0.000 0.985 14 Q CA -0.649 54.916 55.803 -0.397 0.000 0.873 14 Q CB 1.678 30.281 28.738 -0.226 0.000 1.306 14 Q HN 0.599 nan 8.270 nan 0.000 0.447 15 F N 0.910 120.706 119.950 -0.257 0.000 2.579 15 F HA 0.310 4.838 4.527 0.001 0.000 0.325 15 F C -0.271 175.344 175.800 -0.310 0.000 1.162 15 F CA -0.779 57.112 58.000 -0.181 0.000 0.946 15 F CB 1.385 40.312 39.000 -0.121 0.000 1.211 15 F HN 0.416 nan 8.300 nan 0.000 0.447 16 H N 2.053 121.179 119.070 0.094 0.000 2.467 16 H HA 0.719 5.276 4.556 0.001 0.000 0.326 16 H C 0.188 175.543 175.328 0.045 0.000 1.094 16 H CA -0.360 55.718 56.048 0.050 0.000 1.253 16 H CB 1.891 31.658 29.762 0.008 0.000 1.439 16 H HN 0.882 nan 8.280 nan 0.000 0.479 17 G N 1.910 110.780 108.800 0.117 0.000 2.933 17 G HA2 0.339 4.300 3.960 0.001 0.000 0.203 17 G HA3 0.339 4.300 3.960 0.001 0.000 0.203 17 G C -1.048 173.877 174.900 0.042 0.000 1.170 17 G CA -0.776 44.363 45.100 0.065 0.000 0.880 17 G HN 0.493 nan 8.290 nan 0.000 0.573 18 R N -0.249 120.259 120.500 0.014 0.000 2.599 18 R HA 0.682 5.022 4.340 0.001 0.000 0.295 18 R C -0.419 175.879 176.300 -0.004 0.000 0.963 18 R CA -0.424 55.680 56.100 0.006 0.000 0.883 18 R CB 1.755 32.053 30.300 -0.002 0.000 1.171 18 R HN 0.724 nan 8.270 nan 0.000 0.450 19 A N 4.946 127.766 122.820 -0.000 0.000 2.362 19 A HA 0.317 4.638 4.320 0.001 0.000 0.276 19 A C 0.762 178.342 177.584 -0.006 0.000 1.153 19 A CA -0.558 51.477 52.037 -0.004 0.000 0.813 19 A CB -0.207 18.793 19.000 0.001 0.000 1.081 19 A HN 0.898 nan 8.150 nan 0.000 0.507 20 I N 0.155 120.718 120.570 -0.011 0.000 4.240 20 I HA 0.461 4.631 4.170 0.001 0.000 0.331 20 I C 0.720 176.838 176.117 0.001 0.000 1.381 20 I CA 0.147 61.442 61.300 -0.008 0.000 1.136 20 I CB 0.332 38.320 38.000 -0.021 0.000 1.137 20 I HN 0.533 nan 8.210 nan 0.000 0.411 21 G N 1.124 109.924 108.800 -0.000 0.000 3.234 21 G HA2 0.760 4.721 3.960 0.001 0.000 0.159 21 G HA3 0.760 4.721 3.960 0.001 0.000 0.159 21 G C -0.568 174.334 174.900 0.004 0.000 1.175 21 G CA -0.203 44.902 45.100 0.007 0.000 0.900 21 G HN 0.288 nan 8.290 nan 0.000 0.621 22 A N -0.783 122.038 122.820 0.001 0.000 2.366 22 A HA 0.581 4.901 4.320 0.001 0.000 0.249 22 A C 0.512 178.095 177.584 -0.003 0.000 1.084 22 A CA 0.163 52.199 52.037 -0.002 0.000 0.794 22 A CB -0.100 18.897 19.000 -0.006 0.000 1.034 22 A HN 0.496 nan 8.150 nan 0.000 0.491 23 T N 0.793 115.345 114.554 -0.002 0.000 2.851 23 T HA 0.571 4.922 4.350 0.001 0.000 0.298 23 T C 0.678 175.378 174.700 -0.001 0.000 0.977 23 T CA 1.040 63.140 62.100 -0.001 0.000 1.126 23 T CB 0.642 69.510 68.868 0.001 0.000 0.916 23 T HN 1.740 nan 8.240 nan 0.000 0.529 24 G N 1.995 110.795 108.800 -0.000 0.000 2.332 24 G HA2 0.379 4.340 3.960 0.001 0.000 0.265 24 G HA3 0.379 4.340 3.960 0.001 0.000 0.265 24 G C -0.907 173.992 174.900 -0.001 0.000 1.329 24 G CA -0.178 44.922 45.100 0.001 0.000 0.949 24 G HN 1.093 nan 8.290 nan 0.000 0.476 25 S N -0.953 114.747 115.700 -0.000 0.000 2.570 25 S HA 0.968 5.439 4.470 0.001 0.000 0.286 25 S C -0.404 174.191 174.600 -0.008 0.000 1.099 25 S CA 0.552 58.749 58.200 -0.004 0.000 0.913 25 S CB 1.882 65.083 63.200 0.003 0.000 1.085 25 S HN 2.473 nan 8.310 nan 0.000 0.480 26 A N 1.854 124.661 122.820 -0.021 0.000 2.422 26 A HA 0.798 5.118 4.320 0.001 0.000 0.302 26 A C -1.120 176.424 177.584 -0.067 0.000 1.041 26 A CA -0.742 51.273 52.037 -0.036 0.000 0.708 26 A CB 1.590 20.565 19.000 -0.042 0.000 1.257 26 A HN 1.273 nan 8.150 nan 0.000 0.414 27 V N 0.859 120.715 119.914 -0.096 0.000 2.656 27 V HA 0.975 5.095 4.120 0.001 0.000 0.307 27 V C 0.530 176.342 176.094 -0.469 0.000 1.051 27 V CA 0.242 62.424 62.300 -0.197 0.000 0.893 27 V CB 1.344 33.122 31.823 -0.074 0.000 0.999 27 V HN 1.886 nan 8.190 nan 0.000 0.426 28 G N 2.407 110.768 108.800 -0.732 0.000 2.321 28 G HA2 0.409 4.370 3.960 0.001 0.000 0.296 28 G HA3 0.409 4.370 3.960 0.001 0.000 0.296 28 G C -1.573 172.909 174.900 -0.697 0.000 1.287 28 G CA -0.635 43.813 45.100 -1.088 0.000 0.846 28 G HN 0.803 nan 8.290 nan 0.000 0.508 29 E N -0.359 119.606 120.200 -0.391 0.000 2.313 29 E HA 0.488 4.838 4.350 0.001 0.000 0.276 29 E C -0.313 176.229 176.600 -0.096 0.000 1.031 29 E CA -0.522 55.811 56.400 -0.112 0.000 0.857 29 E CB 1.285 31.022 29.700 0.061 0.000 1.040 29 E HN 0.292 nan 8.360 nan 0.000 0.408 30 V N 5.430 125.301 119.914 -0.071 0.000 2.509 30 V HA 0.338 4.458 4.120 0.001 0.000 0.284 30 V C 0.248 176.299 176.094 -0.071 0.000 1.047 30 V CA -0.360 61.892 62.300 -0.079 0.000 0.952 30 V CB 0.960 32.739 31.823 -0.073 0.000 0.988 30 V HN 0.589 nan 8.190 nan 0.000 0.469 31 V N 2.846 122.686 119.914 -0.124 0.000 3.160 31 V HA 0.851 4.972 4.120 0.001 0.000 0.310 31 V C -1.061 174.949 176.094 -0.139 0.000 1.181 31 V CA -1.024 61.138 62.300 -0.230 0.000 1.047 31 V CB 2.196 33.691 31.823 -0.547 0.000 1.068 31 V HN 0.794 nan 8.190 nan 0.000 0.441 32 F N 0.986 120.814 119.950 -0.203 0.000 2.551 32 F HA 0.804 5.332 4.527 0.001 0.000 0.316 32 F C -0.828 174.962 175.800 -0.017 0.000 1.089 32 F CA -0.899 57.025 58.000 -0.127 0.000 0.915 32 F CB 1.803 40.727 39.000 -0.127 0.000 1.186 32 F HN 0.714 nan 8.300 nan 0.000 0.456 33 N N 1.497 120.306 118.700 0.182 0.000 2.296 33 N HA 0.199 4.940 4.740 0.001 0.000 0.294 33 N C 0.124 175.790 175.510 0.260 0.000 1.033 33 N CA -0.090 53.081 53.050 0.202 0.000 0.839 33 N CB 2.264 40.834 38.487 0.139 0.000 1.395 33 N HN 0.933 nan 8.380 nan 0.000 0.479 34 T N -0.884 113.844 114.554 0.290 0.000 3.169 34 T HA 0.138 4.489 4.350 0.001 0.000 0.250 34 T C 0.223 175.044 174.700 0.201 0.000 1.111 34 T CA -0.156 62.098 62.100 0.257 0.000 1.010 34 T CB -0.308 68.727 68.868 0.279 0.000 0.984 34 T HN 0.272 nan 8.240 nan 0.000 0.537 35 S N 2.120 117.930 115.700 0.183 0.000 2.498 35 S HA 0.261 4.732 4.470 0.001 0.000 0.281 35 S C 1.148 175.834 174.600 0.143 0.000 1.265 35 S CA -0.360 57.928 58.200 0.145 0.000 1.071 35 S CB 0.467 63.744 63.200 0.128 0.000 0.894 35 S HN 0.429 nan 8.310 nan 0.000 0.491 36 M N 2.051 121.698 119.600 0.078 0.000 2.492 36 M HA -0.013 4.467 4.480 0.001 0.000 0.262 36 M C 1.005 177.292 176.300 -0.021 0.000 1.090 36 M CA 0.564 55.850 55.300 -0.024 0.000 1.110 36 M CB -0.348 32.114 32.600 -0.230 0.000 1.407 36 M HN 0.764 nan 8.290 nan 0.000 0.470 37 T N -4.236 110.333 114.554 0.026 0.000 2.838 37 T HA 0.671 5.022 4.350 0.001 0.000 0.292 37 T C 0.637 175.334 174.700 -0.005 0.000 1.113 37 T CA -0.095 62.015 62.100 0.017 0.000 1.008 37 T CB 1.969 70.812 68.868 -0.042 0.000 1.259 37 T HN 0.284 nan 8.240 nan 0.000 0.520 38 G N 0.390 109.109 108.800 -0.136 0.000 2.132 38 G HA2 -0.314 3.647 3.960 0.001 0.000 0.234 38 G HA3 -0.314 3.647 3.960 0.001 0.000 0.234 38 G C 0.464 175.257 174.900 -0.178 0.000 0.989 38 G CA 0.864 45.859 45.100 -0.174 0.000 0.676 38 G HN 1.417 nan 8.290 nan 0.000 0.522 39 Y N -1.218 119.066 120.300 -0.027 0.000 2.165 39 Y HA -0.139 4.412 4.550 0.001 0.000 0.286 39 Y C 2.503 178.367 175.900 -0.060 0.000 1.155 39 Y CA 2.098 60.176 58.100 -0.037 0.000 1.164 39 Y CB -0.769 37.676 38.460 -0.025 0.000 0.978 39 Y HN 0.425 nan 8.280 nan 0.000 0.513 40 Q N 0.554 120.147 119.800 -0.346 0.000 2.020 40 Q HA -0.243 4.097 4.340 0.001 0.000 0.202 40 Q C 1.990 177.932 176.000 -0.096 0.000 0.982 40 Q CA 2.207 57.894 55.803 -0.194 0.000 0.838 40 Q CB -0.064 28.446 28.738 -0.380 0.000 0.899 40 Q HN 0.648 nan 8.270 nan 0.000 0.423 41 E N 0.504 120.625 120.200 -0.132 0.000 2.097 41 E HA -0.206 4.145 4.350 0.001 0.000 0.196 41 E C 1.860 178.488 176.600 0.047 0.000 1.000 41 E CA 1.517 57.891 56.400 -0.043 0.000 0.804 41 E CB -0.186 29.478 29.700 -0.060 0.000 0.740 41 E HN 0.406 nan 8.360 nan 0.000 0.454 42 I N 0.242 120.842 120.570 0.050 0.000 2.179 42 I HA -0.280 3.891 4.170 0.001 0.000 0.242 42 I C 2.117 178.293 176.117 0.098 0.000 1.088 42 I CA 0.978 62.351 61.300 0.120 0.000 1.357 42 I CB -0.142 37.873 38.000 0.025 0.000 1.051 42 I HN 0.112 nan 8.210 nan 0.000 0.409 43 L N 0.120 121.366 121.223 0.039 0.000 2.127 43 L HA -0.204 4.137 4.340 0.001 0.000 0.211 43 L C 2.273 179.215 176.870 0.120 0.000 1.089 43 L CA 1.864 56.732 54.840 0.047 0.000 0.757 43 L CB -0.794 41.310 42.059 0.076 0.000 0.899 43 L HN 0.441 nan 8.230 nan 0.000 0.434 44 T N -4.776 109.859 114.554 0.135 0.000 3.188 44 T HA 0.025 4.376 4.350 0.001 0.000 0.250 44 T C 0.370 175.247 174.700 0.296 0.000 1.077 44 T CA -0.444 61.756 62.100 0.167 0.000 0.967 44 T CB -0.292 68.641 68.868 0.109 0.000 1.006 44 T HN 0.012 nan 8.240 nan 0.000 0.552 45 D N 2.500 123.089 120.400 0.315 0.000 2.325 45 D HA 0.241 4.882 4.640 0.001 0.000 0.251 45 D C -1.625 174.820 176.300 0.242 0.000 1.196 45 D CA -2.626 51.532 54.000 0.263 0.000 0.866 45 D CB 1.823 42.781 40.800 0.263 0.000 1.101 45 D HN -0.019 nan 8.370 nan 0.000 0.476 46 P HA -0.092 nan 4.420 nan 0.000 0.219 46 P C 1.158 178.358 177.300 -0.166 0.000 1.146 46 P CA 0.763 63.587 63.100 -0.460 0.000 0.808 46 P CB 0.237 31.582 31.700 -0.592 0.000 0.779 47 S N -1.748 113.893 115.700 -0.099 0.000 2.440 47 S HA -0.158 4.313 4.470 0.001 0.000 0.238 47 S C 1.134 175.663 174.600 -0.119 0.000 1.010 47 S CA 1.027 59.154 58.200 -0.122 0.000 0.972 47 S CB -1.036 62.049 63.200 -0.192 0.000 0.774 47 S HN 0.249 nan 8.310 nan 0.000 0.501 48 Y N 1.606 121.960 120.300 0.089 0.000 2.471 48 Y HA 0.309 4.859 4.550 0.001 0.000 0.286 48 Y C 1.307 177.272 175.900 0.108 0.000 1.188 48 Y CA -0.723 57.435 58.100 0.097 0.000 1.286 48 Y CB -0.423 38.088 38.460 0.086 0.000 1.072 48 Y HN 0.055 nan 8.280 nan 0.000 0.517 49 S N 1.604 117.437 115.700 0.222 0.000 2.575 49 S HA 0.016 4.486 4.470 0.001 0.000 0.295 49 S C 0.880 175.589 174.600 0.182 0.000 1.267 49 S CA -0.053 58.271 58.200 0.207 0.000 1.074 49 S CB -0.023 63.269 63.200 0.153 0.000 0.829 49 S HN 0.609 nan 8.310 nan 0.000 0.497 50 R N 1.330 121.926 120.500 0.160 0.000 3.936 50 R HA -0.136 4.205 4.340 0.001 0.000 0.366 50 R C -0.539 175.784 176.300 0.038 0.000 1.158 50 R CA 0.898 57.074 56.100 0.127 0.000 0.969 50 R CB -2.245 28.211 30.300 0.260 0.000 1.504 50 R HN 0.788 nan 8.270 nan 0.000 0.538 51 Q N 0.260 120.099 119.800 0.065 0.000 2.365 51 Q HA 0.603 4.943 4.340 0.001 0.000 0.269 51 Q C -0.291 175.693 176.000 -0.026 0.000 1.061 51 Q CA -0.858 54.961 55.803 0.028 0.000 0.816 51 Q CB 2.210 31.034 28.738 0.143 0.000 1.325 51 Q HN 0.118 nan 8.270 nan 0.000 0.446 52 I N 2.249 122.766 120.570 -0.088 0.000 2.312 52 I HA 0.213 4.383 4.170 0.001 0.000 0.290 52 I C -0.577 175.463 176.117 -0.129 0.000 1.008 52 I CA -0.723 60.510 61.300 -0.110 0.000 1.226 52 I CB 1.246 39.168 38.000 -0.130 0.000 1.371 52 I HN 0.238 nan 8.210 nan 0.000 0.468 53 V N 5.760 125.579 119.914 -0.158 0.000 2.385 53 V HA 0.241 4.361 4.120 0.001 0.000 0.269 53 V C 0.374 176.368 176.094 -0.167 0.000 1.043 53 V CA -0.294 61.877 62.300 -0.216 0.000 0.906 53 V CB 1.054 32.657 31.823 -0.366 0.000 0.995 53 V HN 0.682 nan 8.190 nan 0.000 0.467 54 T N 6.996 121.467 114.554 -0.138 0.000 2.795 54 T HA 0.613 4.963 4.350 0.001 0.000 0.282 54 T C -0.244 174.423 174.700 -0.055 0.000 0.980 54 T CA -0.304 61.728 62.100 -0.112 0.000 1.012 54 T CB 0.889 69.689 68.868 -0.113 0.000 0.936 54 T HN 0.357 nan 8.240 nan 0.000 0.457 55 L N 3.226 124.413 121.223 -0.060 0.000 2.282 55 L HA 0.332 4.673 4.340 0.001 0.000 0.288 55 L C 2.030 178.894 176.870 -0.009 0.000 1.033 55 L CA -0.722 54.116 54.840 -0.003 0.000 0.807 55 L CB 1.517 43.581 42.059 0.007 0.000 1.209 55 L HN 0.846 nan 8.230 nan 0.000 0.423 56 T N -0.290 114.296 114.554 0.053 0.000 2.821 56 T HA -0.185 4.165 4.350 0.001 0.000 0.267 56 T C 0.698 175.405 174.700 0.012 0.000 1.046 56 T CA 0.615 62.721 62.100 0.011 0.000 1.139 56 T CB -0.245 68.651 68.868 0.046 0.000 0.871 56 T HN 0.329 nan 8.240 nan 0.000 0.454 57 Y N 5.083 125.383 120.300 0.000 0.000 2.605 57 Y HA 0.240 4.790 4.550 0.001 0.000 0.336 57 Y C -1.537 174.337 175.900 -0.043 0.000 1.111 57 Y CA -3.012 55.089 58.100 0.002 0.000 1.422 57 Y CB 0.818 39.306 38.460 0.047 0.000 1.193 57 Y HN 0.025 nan 8.280 nan 0.000 0.526 58 P HA -0.199 nan 4.420 nan 0.000 0.216 58 P C -0.267 176.589 177.300 -0.741 0.000 1.153 58 P CA 1.664 64.314 63.100 -0.750 0.000 0.858 58 P CB 0.129 31.397 31.700 -0.720 0.000 0.789 59 H N 0.135 118.751 119.070 -0.757 0.000 2.690 59 H HA 0.253 4.810 4.556 0.001 0.000 0.289 59 H C 0.101 175.366 175.328 -0.104 0.000 1.089 59 H CA -0.345 55.535 56.048 -0.280 0.000 1.299 59 H CB 0.462 30.172 29.762 -0.087 0.000 1.405 59 H HN 0.034 nan 8.280 nan 0.000 0.463 60 I N 1.612 122.122 120.570 -0.100 0.000 2.389 60 I HA 0.231 4.402 4.170 0.001 0.000 0.288 60 I C 1.203 177.002 176.117 -0.530 0.000 0.999 60 I CA -0.138 60.967 61.300 -0.326 0.000 1.129 60 I CB 1.377 39.180 38.000 -0.329 0.000 1.288 60 I HN 0.907 nan 8.210 nan 0.000 0.444 61 G N 5.181 113.471 108.800 -0.851 0.000 2.205 61 G HA2 -0.230 3.731 3.960 0.001 0.000 0.180 61 G HA3 -0.230 3.731 3.960 0.001 0.000 0.180 61 G C 0.769 175.661 174.900 -0.013 0.000 1.004 61 G CA -0.266 44.552 45.100 -0.471 0.000 0.670 61 G HN 0.477 nan 8.290 nan 0.000 0.496 62 N N 0.443 119.186 118.700 0.072 0.000 2.192 62 N HA -0.119 4.621 4.740 0.001 0.000 0.188 62 N C 2.326 177.898 175.510 0.104 0.000 1.013 62 N CA 2.176 55.283 53.050 0.095 0.000 0.863 62 N CB -0.221 38.336 38.487 0.117 0.000 0.990 62 N HN 1.147 nan 8.380 nan 0.000 0.430 63 V N -3.951 116.069 119.914 0.177 0.000 3.483 63 V HA 0.526 4.646 4.120 0.001 0.000 0.301 63 V C 1.185 177.312 176.094 0.055 0.000 1.389 63 V CA 0.206 62.555 62.300 0.082 0.000 1.101 63 V CB -0.347 31.483 31.823 0.012 0.000 0.971 63 V HN 0.314 nan 8.190 nan 0.000 0.434 64 G N 1.673 110.547 108.800 0.123 0.000 2.574 64 G HA2 -0.165 3.796 3.960 0.001 0.000 0.286 64 G HA3 -0.165 3.796 3.960 0.001 0.000 0.286 64 G C 0.190 175.094 174.900 0.006 0.000 1.212 64 G CA 1.097 46.233 45.100 0.061 0.000 0.979 64 G HN 1.877 nan 8.290 nan 0.000 0.557 65 T N -2.164 112.319 114.554 -0.117 0.000 2.816 65 T HA 0.713 5.063 4.350 0.001 0.000 0.299 65 T C -0.719 173.856 174.700 -0.210 0.000 1.230 65 T CA 0.210 62.141 62.100 -0.282 0.000 1.007 65 T CB 2.147 70.639 68.868 -0.626 0.000 1.289 65 T HN 2.380 nan 8.240 nan 0.000 0.508 66 N N -1.125 117.440 118.700 -0.223 0.000 2.859 66 N HA 0.372 5.113 4.740 0.001 0.000 0.250 66 N C -0.505 174.955 175.510 -0.084 0.000 1.341 66 N CA -0.802 52.177 53.050 -0.119 0.000 0.881 66 N CB 0.805 39.213 38.487 -0.131 0.000 1.516 66 N HN 0.353 nan 8.380 nan 0.000 0.503 67 D N 0.413 120.814 120.400 0.001 0.000 2.144 67 D HA -0.088 4.553 4.640 0.001 0.000 0.199 67 D C 1.835 178.146 176.300 0.019 0.000 0.984 67 D CA 1.888 55.916 54.000 0.047 0.000 0.834 67 D CB -0.536 40.312 40.800 0.081 0.000 0.955 67 D HN 0.702 nan 8.370 nan 0.000 0.465 68 A N 0.912 123.724 122.820 -0.012 0.000 2.024 68 A HA -0.161 4.160 4.320 0.001 0.000 0.220 68 A C 1.190 178.691 177.584 -0.139 0.000 1.164 68 A CA 1.345 53.357 52.037 -0.041 0.000 0.643 68 A CB -0.186 18.770 19.000 -0.074 0.000 0.806 68 A HN 0.025 nan 8.150 nan 0.000 0.451 69 D N 0.432 120.723 120.400 -0.183 0.000 2.352 69 D HA 0.125 4.765 4.640 0.001 0.000 0.236 69 D C -0.158 176.075 176.300 -0.112 0.000 1.148 69 D CA 0.156 54.031 54.000 -0.208 0.000 0.844 69 D CB 0.023 40.642 40.800 -0.302 0.000 0.933 69 D HN 0.573 nan 8.370 nan 0.000 0.507 70 E N 0.810 120.993 120.200 -0.028 0.000 2.174 70 E HA 0.114 4.464 4.350 0.001 0.000 0.282 70 E C 0.605 177.247 176.600 0.070 0.000 0.992 70 E CA -0.288 56.135 56.400 0.040 0.000 0.803 70 E CB 1.371 31.130 29.700 0.098 0.000 1.090 70 E HN -0.074 nan 8.360 nan 0.000 0.396 71 E N 1.212 121.461 120.200 0.081 0.000 2.465 71 E HA 0.030 4.380 4.350 0.001 0.000 0.191 71 E C -0.002 176.681 176.600 0.139 0.000 1.053 71 E CA 0.166 56.624 56.400 0.097 0.000 0.869 71 E CB 0.372 30.123 29.700 0.084 0.000 0.977 71 E HN 0.500 nan 8.360 nan 0.000 0.483 72 S N -1.887 113.916 115.700 0.170 0.000 2.656 72 S HA 0.095 4.565 4.470 0.001 0.000 0.265 72 S C 0.752 175.465 174.600 0.189 0.000 1.132 72 S CA -0.041 58.288 58.200 0.215 0.000 0.819 72 S CB 0.721 64.114 63.200 0.321 0.000 1.119 72 S HN -0.066 nan 8.310 nan 0.000 0.476 73 S N -0.033 115.784 115.700 0.195 0.000 2.507 73 S HA 0.129 4.600 4.470 0.001 0.000 0.235 73 S C 0.607 175.268 174.600 0.101 0.000 0.988 73 S CA 0.929 59.215 58.200 0.143 0.000 0.944 73 S CB -0.978 62.298 63.200 0.128 0.000 0.762 73 S HN 1.152 nan 8.310 nan 0.000 0.526 74 Q N -1.253 118.558 119.800 0.018 0.000 2.738 74 Q HA 0.554 4.895 4.340 0.001 0.000 0.301 74 Q C -1.742 174.094 176.000 -0.273 0.000 0.901 74 Q CA -1.171 54.587 55.803 -0.076 0.000 0.756 74 Q CB 1.280 29.945 28.738 -0.122 0.000 1.463 74 Q HN -0.031 nan 8.270 nan 0.000 0.432 75 V N 2.481 122.237 119.914 -0.262 0.000 2.470 75 V HA 0.056 4.177 4.120 0.001 0.000 0.276 75 V C 0.581 176.535 176.094 -0.233 0.000 1.040 75 V CA 0.096 62.267 62.300 -0.215 0.000 1.008 75 V CB 0.311 32.008 31.823 -0.210 0.000 0.990 75 V HN 0.746 nan 8.190 nan 0.000 0.477 76 H N 2.894 122.015 119.070 0.085 0.000 2.582 76 H HA 0.305 4.861 4.556 0.001 0.000 0.269 76 H C 1.329 176.725 175.328 0.114 0.000 0.962 76 H CA 0.695 56.809 56.048 0.111 0.000 1.230 76 H CB 0.555 30.400 29.762 0.138 0.000 1.445 76 H HN 0.697 nan 8.280 nan 0.000 0.528 77 A N 1.378 124.308 122.820 0.183 0.000 2.531 77 A HA -0.027 4.294 4.320 0.001 0.000 0.236 77 A C 1.530 179.148 177.584 0.057 0.000 1.062 77 A CA -0.011 52.090 52.037 0.107 0.000 0.760 77 A CB 0.534 19.527 19.000 -0.012 0.000 0.995 77 A HN 0.265 nan 8.150 nan 0.000 0.501 78 Q N 1.054 120.876 119.800 0.037 0.000 2.172 78 Q HA 0.247 4.587 4.340 0.001 0.000 0.200 78 Q C 0.701 176.687 176.000 -0.024 0.000 0.964 78 Q CA 1.692 57.498 55.803 0.006 0.000 0.855 78 Q CB 0.066 28.789 28.738 -0.025 0.000 0.918 78 Q HN 1.100 nan 8.270 nan 0.000 0.444 79 G N -0.977 107.797 108.800 -0.043 0.000 2.623 79 G HA2 0.485 4.445 3.960 0.001 0.000 0.290 79 G HA3 0.485 4.445 3.960 0.001 0.000 0.290 79 G C -2.341 172.515 174.900 -0.074 0.000 1.437 79 G CA -0.592 44.475 45.100 -0.055 0.000 0.798 79 G HN 0.134 nan 8.290 nan 0.000 0.488 80 L N 0.421 121.601 121.223 -0.072 0.000 2.410 80 L HA 0.820 5.160 4.340 0.001 0.000 0.270 80 L C -1.139 175.672 176.870 -0.098 0.000 0.983 80 L CA -0.746 54.042 54.840 -0.087 0.000 0.822 80 L CB 2.279 44.300 42.059 -0.064 0.000 1.285 80 L HN 0.404 nan 8.230 nan 0.000 0.409 81 V N 6.646 126.487 119.914 -0.122 0.000 2.378 81 V HA 0.554 4.675 4.120 0.001 0.000 0.288 81 V C 0.089 176.096 176.094 -0.145 0.000 1.016 81 V CA -0.331 61.884 62.300 -0.142 0.000 0.840 81 V CB 1.139 32.850 31.823 -0.186 0.000 0.994 81 V HN 0.779 nan 8.190 nan 0.000 0.431 82 I N 1.989 122.475 120.570 -0.139 0.000 3.239 82 I HA 0.741 4.911 4.170 0.001 0.000 0.314 82 I C 0.770 176.792 176.117 -0.159 0.000 1.126 82 I CA -1.032 60.177 61.300 -0.151 0.000 0.973 82 I CB 2.255 40.163 38.000 -0.153 0.000 1.252 82 I HN 0.391 nan 8.210 nan 0.000 0.463 83 R N 1.123 121.507 120.500 -0.192 0.000 2.105 83 R HA 0.275 4.616 4.340 0.001 0.000 0.214 83 R C -0.598 175.580 176.300 -0.203 0.000 1.091 83 R CA 1.281 57.261 56.100 -0.199 0.000 1.007 83 R CB -0.043 30.105 30.300 -0.254 0.000 0.912 83 R HN 0.898 nan 8.270 nan 0.000 0.450 84 D N -0.812 119.442 120.400 -0.242 0.000 2.966 84 D HA 0.216 4.857 4.640 0.001 0.000 0.222 84 D C -1.954 174.280 176.300 -0.109 0.000 1.292 84 D CA -0.574 53.310 54.000 -0.193 0.000 0.907 84 D CB 1.206 41.814 40.800 -0.320 0.000 1.621 84 D HN 0.039 nan 8.370 nan 0.000 0.557 85 L N 5.515 126.703 121.223 -0.058 0.000 2.255 85 L HA 0.596 4.937 4.340 0.001 0.000 0.289 85 L C -2.241 174.637 176.870 0.014 0.000 1.046 85 L CA -1.468 53.348 54.840 -0.040 0.000 0.816 85 L CB 0.682 42.711 42.059 -0.051 0.000 1.197 85 L HN 0.270 nan 8.230 nan 0.000 0.427 86 P HA -0.073 nan 4.420 nan 0.000 0.267 86 P C 0.761 178.068 177.300 0.012 0.000 1.201 86 P CA -0.333 62.790 63.100 0.039 0.000 0.775 86 P CB 0.769 32.473 31.700 0.006 0.000 0.854 87 L N 1.695 122.924 121.223 0.009 0.000 2.042 87 L HA -0.047 4.293 4.340 0.001 0.000 0.210 87 L C 1.392 178.266 176.870 0.006 0.000 1.076 87 L CA 1.722 56.566 54.840 0.007 0.000 0.749 87 L CB -1.006 41.056 42.059 0.004 0.000 0.893 87 L HN 0.522 nan 8.230 nan 0.000 0.432 88 I N -5.023 115.549 120.570 0.003 0.000 3.074 88 I HA 0.717 4.888 4.170 0.001 0.000 0.310 88 I C -0.545 175.579 176.117 0.012 0.000 1.153 88 I CA -1.143 60.163 61.300 0.009 0.000 0.993 88 I CB 1.970 39.977 38.000 0.011 0.000 1.237 88 I HN -0.212 nan 8.210 nan 0.000 0.443 89 A N 2.302 125.134 122.820 0.020 0.000 2.301 89 A HA 0.692 5.013 4.320 0.001 0.000 0.298 89 A C -0.113 177.488 177.584 0.028 0.000 1.185 89 A CA -0.407 51.647 52.037 0.028 0.000 0.830 89 A CB 0.895 19.913 19.000 0.030 0.000 1.112 89 A HN 0.704 nan 8.150 nan 0.000 0.508 90 S N 2.887 118.607 115.700 0.033 0.000 2.259 90 S HA 0.454 4.924 4.470 0.001 0.000 0.181 90 S C -0.980 173.651 174.600 0.051 0.000 1.589 90 S CA -0.672 57.552 58.200 0.040 0.000 1.234 90 S CB -0.474 62.746 63.200 0.034 0.000 1.119 90 S HN 0.826 nan 8.310 nan 0.000 0.458 91 N N 2.723 121.450 118.700 0.045 0.000 2.554 91 N HA 0.095 4.835 4.740 0.001 0.000 0.271 91 N C 0.511 176.024 175.510 0.005 0.000 1.081 91 N CA -0.570 52.502 53.050 0.038 0.000 0.994 91 N CB 0.745 39.204 38.487 -0.046 0.000 1.641 91 N HN 0.405 nan 8.380 nan 0.000 0.511 92 F N 3.362 123.332 119.950 0.034 0.000 2.287 92 F HA -0.025 4.503 4.527 0.001 0.000 0.301 92 F C 1.528 177.355 175.800 0.047 0.000 1.069 92 F CA 0.904 58.928 58.000 0.040 0.000 1.372 92 F CB -0.054 38.973 39.000 0.045 0.000 1.056 92 F HN 0.367 nan 8.300 nan 0.000 0.523 93 R N 0.544 120.549 120.500 -0.825 0.000 2.240 93 R HA -0.004 4.336 4.340 0.001 0.000 0.203 93 R C 0.391 176.536 176.300 -0.259 0.000 1.011 93 R CA 0.362 56.095 56.100 -0.611 0.000 1.007 93 R CB -0.627 29.234 30.300 -0.733 0.000 0.911 93 R HN 0.316 nan 8.270 nan 0.000 0.468 94 N N 1.128 119.719 118.700 -0.182 0.000 2.454 94 N HA -0.071 4.669 4.740 0.001 0.000 0.260 94 N C 0.688 176.172 175.510 -0.044 0.000 1.218 94 N CA 0.603 53.595 53.050 -0.096 0.000 0.904 94 N CB 1.003 39.461 38.487 -0.049 0.000 1.065 94 N HN 0.045 nan 8.380 nan 0.000 0.462 95 T N -0.130 114.407 114.554 -0.029 0.000 2.975 95 T HA 0.222 4.572 4.350 0.001 0.000 0.257 95 T C 0.126 174.848 174.700 0.036 0.000 1.003 95 T CA -0.355 61.752 62.100 0.011 0.000 0.932 95 T CB -0.092 68.789 68.868 0.022 0.000 1.087 95 T HN 0.629 nan 8.240 nan 0.000 0.512 96 E N 1.906 122.125 120.200 0.031 0.000 2.388 96 E HA 0.216 4.566 4.350 0.001 0.000 0.289 96 E C -1.646 174.988 176.600 0.056 0.000 0.944 96 E CA -0.810 55.631 56.400 0.068 0.000 0.792 96 E CB 1.402 31.187 29.700 0.143 0.000 1.239 96 E HN 0.362 nan 8.360 nan 0.000 0.412 97 D N 4.071 124.509 120.400 0.064 0.000 2.400 97 D HA -0.064 4.576 4.640 0.001 0.000 0.238 97 D C 1.184 177.536 176.300 0.087 0.000 1.157 97 D CA -0.431 53.603 54.000 0.056 0.000 0.889 97 D CB 1.330 42.157 40.800 0.045 0.000 1.199 97 D HN 0.427 nan 8.370 nan 0.000 0.436 98 L N 2.600 123.859 121.223 0.060 0.000 2.013 98 L HA -0.238 4.102 4.340 0.001 0.000 0.212 98 L C 2.504 179.448 176.870 0.123 0.000 1.073 98 L CA 2.093 56.978 54.840 0.076 0.000 0.753 98 L CB -1.306 40.732 42.059 -0.035 0.000 0.890 98 L HN 0.659 nan 8.230 nan 0.000 0.432 99 S N -1.416 114.326 115.700 0.070 0.000 2.359 99 S HA -0.197 4.273 4.470 0.001 0.000 0.224 99 S C 2.075 176.730 174.600 0.092 0.000 1.035 99 S CA 1.655 59.892 58.200 0.063 0.000 1.018 99 S CB -0.377 62.842 63.200 0.032 0.000 0.876 99 S HN 0.675 nan 8.310 nan 0.000 0.448 100 S N -0.133 115.629 115.700 0.102 0.000 2.382 100 S HA -0.103 4.367 4.470 0.001 0.000 0.228 100 S C 1.549 176.243 174.600 0.157 0.000 1.027 100 S CA 1.365 59.628 58.200 0.105 0.000 0.991 100 S CB -0.560 62.696 63.200 0.095 0.000 0.823 100 S HN 0.716 nan 8.310 nan 0.000 0.469 101 Y N 2.049 122.390 120.300 0.069 0.000 2.200 101 Y HA -0.013 4.538 4.550 0.001 0.000 0.290 101 Y C 1.883 177.874 175.900 0.151 0.000 1.137 101 Y CA 1.060 59.233 58.100 0.122 0.000 1.163 101 Y CB -0.392 38.125 38.460 0.096 0.000 0.988 101 Y HN 0.133 nan 8.280 nan 0.000 0.518 102 L N 0.002 121.352 121.223 0.211 0.000 2.017 102 L HA -0.262 4.078 4.340 0.001 0.000 0.208 102 L C 2.437 179.326 176.870 0.033 0.000 1.073 102 L CA 1.756 56.653 54.840 0.095 0.000 0.745 102 L CB -0.510 41.602 42.059 0.088 0.000 0.894 102 L HN 0.141 nan 8.230 nan 0.000 0.432 103 K N -0.313 120.108 120.400 0.034 0.000 2.057 103 K HA -0.232 4.089 4.320 0.001 0.000 0.207 103 K C 2.204 178.785 176.600 -0.033 0.000 1.049 103 K CA 1.309 57.598 56.287 0.004 0.000 0.931 103 K CB -0.273 32.234 32.500 0.012 0.000 0.714 103 K HN 0.228 nan 8.250 nan 0.000 0.440 104 R N 0.768 121.238 120.500 -0.050 0.000 2.105 104 R HA -0.162 4.179 4.340 0.001 0.000 0.239 104 R C 1.532 177.663 176.300 -0.281 0.000 1.135 104 R CA 1.502 57.516 56.100 -0.145 0.000 0.967 104 R CB -0.127 30.091 30.300 -0.137 0.000 0.861 104 R HN 0.387 nan 8.270 nan 0.000 0.442 105 H N 0.192 119.117 119.070 -0.242 0.000 2.539 105 H HA 0.103 4.659 4.556 0.001 0.000 0.267 105 H C 0.027 175.274 175.328 -0.136 0.000 0.982 105 H CA 0.135 56.043 56.048 -0.233 0.000 1.146 105 H CB 0.092 29.640 29.762 -0.356 0.000 1.382 105 H HN 0.349 nan 8.280 nan 0.000 0.577 106 N N 1.062 119.742 118.700 -0.034 0.000 2.738 106 N HA -0.163 4.578 4.740 0.001 0.000 0.249 106 N C -0.709 174.800 175.510 -0.003 0.000 1.047 106 N CA 0.265 53.302 53.050 -0.022 0.000 0.707 106 N CB -0.851 37.617 38.487 -0.031 0.000 0.937 106 N HN 0.260 nan 8.380 nan 0.000 0.545 107 I N 1.028 121.601 120.570 0.006 0.000 2.353 107 I HA 0.242 4.413 4.170 0.001 0.000 0.293 107 I C 1.058 177.174 176.117 -0.002 0.000 0.992 107 I CA -0.553 60.750 61.300 0.004 0.000 1.268 107 I CB 1.510 39.516 38.000 0.009 0.000 1.387 107 I HN -0.250 nan 8.210 nan 0.000 0.478 108 V N 5.925 125.834 119.914 -0.009 0.000 2.455 108 V HA 0.561 4.682 4.120 0.001 0.000 0.273 108 V C 0.543 176.623 176.094 -0.023 0.000 1.045 108 V CA -0.173 62.118 62.300 -0.014 0.000 0.976 108 V CB 0.882 32.695 31.823 -0.017 0.000 0.993 108 V HN 0.932 nan 8.190 nan 0.000 0.475 109 A N 6.072 128.878 122.820 -0.022 0.000 2.515 109 A HA 0.885 5.206 4.320 0.001 0.000 0.298 109 A C -1.124 176.438 177.584 -0.037 0.000 1.059 109 A CA -0.549 51.468 52.037 -0.034 0.000 0.698 109 A CB 1.628 20.611 19.000 -0.028 0.000 1.289 109 A HN 0.820 nan 8.150 nan 0.000 0.404 110 I N 0.998 121.536 120.570 -0.053 0.000 2.608 110 I HA 0.801 4.972 4.170 0.001 0.000 0.295 110 I C -0.038 176.040 176.117 -0.065 0.000 1.049 110 I CA -0.539 60.731 61.300 -0.050 0.000 1.063 110 I CB 1.881 39.850 38.000 -0.051 0.000 1.248 110 I HN 0.959 nan 8.210 nan 0.000 0.424 111 A N 3.910 126.697 122.820 -0.054 0.000 2.414 111 A HA 0.649 4.970 4.320 0.001 0.000 0.278 111 A C -0.487 177.067 177.584 -0.050 0.000 1.228 111 A CA -0.210 51.787 52.037 -0.067 0.000 0.857 111 A CB 0.762 19.723 19.000 -0.066 0.000 1.389 111 A HN 0.824 nan 8.150 nan 0.000 0.452 112 D N -1.564 118.798 120.400 -0.063 0.000 2.870 112 D HA -0.168 4.472 4.640 0.001 0.000 0.228 112 D C -0.189 176.098 176.300 -0.021 0.000 1.147 112 D CA 1.716 55.689 54.000 -0.045 0.000 0.757 112 D CB -1.983 38.804 40.800 -0.022 0.000 1.091 112 D HN 0.865 nan 8.370 nan 0.000 0.429 113 I N -3.578 116.970 120.570 -0.037 0.000 2.846 113 I HA 0.486 4.657 4.170 0.001 0.000 0.307 113 I C 0.253 176.359 176.117 -0.018 0.000 1.053 113 I CA -0.920 60.388 61.300 0.014 0.000 1.050 113 I CB 1.451 39.479 38.000 0.047 0.000 1.239 113 I HN -0.316 nan 8.210 nan 0.000 0.439 114 D N 3.025 123.461 120.400 0.060 0.000 2.541 114 D HA 0.015 4.656 4.640 0.001 0.000 0.231 114 D C 1.296 177.565 176.300 -0.052 0.000 1.163 114 D CA 0.490 54.504 54.000 0.022 0.000 1.077 114 D CB 0.346 41.198 40.800 0.087 0.000 1.110 114 D HN 0.813 nan 8.370 nan 0.000 0.499 115 T N 0.246 114.715 114.554 -0.141 0.000 2.977 115 T HA -0.199 4.152 4.350 0.001 0.000 0.271 115 T C 1.849 176.432 174.700 -0.195 0.000 1.105 115 T CA 0.665 62.640 62.100 -0.208 0.000 1.116 115 T CB 0.112 68.863 68.868 -0.193 0.000 0.878 115 T HN 0.302 nan 8.240 nan 0.000 0.509 116 R N 1.467 121.880 120.500 -0.145 0.000 2.073 116 R HA 0.027 4.367 4.340 0.001 0.000 0.229 116 R C 2.598 178.814 176.300 -0.140 0.000 1.120 116 R CA 1.334 57.342 56.100 -0.153 0.000 0.967 116 R CB -0.210 30.021 30.300 -0.116 0.000 0.862 116 R HN 0.473 nan 8.270 nan 0.000 0.436 117 K N 0.361 120.726 120.400 -0.059 0.000 2.026 117 K HA -0.170 4.151 4.320 0.001 0.000 0.208 117 K C 2.041 178.650 176.600 0.015 0.000 1.048 117 K CA 1.398 57.691 56.287 0.009 0.000 0.929 117 K CB -0.204 32.369 32.500 0.121 0.000 0.713 117 K HN 0.176 nan 8.250 nan 0.000 0.439 118 L N 1.650 122.853 121.223 -0.033 0.000 2.046 118 L HA -0.133 4.207 4.340 0.001 0.000 0.208 118 L C 1.964 178.709 176.870 -0.208 0.000 1.077 118 L CA 2.094 56.834 54.840 -0.168 0.000 0.747 118 L CB -1.052 40.671 42.059 -0.560 0.000 0.896 118 L HN 0.208 nan 8.230 nan 0.000 0.432 119 T N 0.002 114.366 114.554 -0.317 0.000 2.674 119 T HA -0.165 4.186 4.350 0.001 0.000 0.265 119 T C 1.965 176.338 174.700 -0.545 0.000 1.039 119 T CA 1.602 63.343 62.100 -0.599 0.000 1.150 119 T CB -0.227 68.182 68.868 -0.765 0.000 0.864 119 T HN 0.362 nan 8.240 nan 0.000 0.427 120 R N 0.429 120.719 120.500 -0.350 0.000 2.127 120 R HA -0.041 4.300 4.340 0.001 0.000 0.238 120 R C 2.389 178.591 176.300 -0.163 0.000 1.134 120 R CA 0.914 56.862 56.100 -0.253 0.000 0.975 120 R CB -0.661 29.544 30.300 -0.159 0.000 0.865 120 R HN 0.271 nan 8.270 nan 0.000 0.447 121 L N 1.054 122.213 121.223 -0.107 0.000 2.027 121 L HA -0.106 4.235 4.340 0.001 0.000 0.206 121 L C 1.982 178.841 176.870 -0.019 0.000 1.074 121 L CA 1.602 56.426 54.840 -0.027 0.000 0.745 121 L CB -0.375 41.713 42.059 0.048 0.000 0.898 121 L HN 0.088 nan 8.230 nan 0.000 0.433 122 L N -0.635 120.562 121.223 -0.043 0.000 2.156 122 L HA -0.133 4.208 4.340 0.001 0.000 0.208 122 L C 2.798 179.672 176.870 0.007 0.000 1.095 122 L CA 1.269 56.130 54.840 0.035 0.000 0.770 122 L CB -0.548 41.594 42.059 0.138 0.000 0.914 122 L HN 0.354 nan 8.230 nan 0.000 0.439 123 R N 0.167 120.552 120.500 -0.191 0.000 2.066 123 R HA -0.160 4.180 4.340 0.001 0.000 0.232 123 R C 2.123 178.438 176.300 0.026 0.000 1.131 123 R CA 1.316 57.209 56.100 -0.345 0.000 0.955 123 R CB -0.010 30.014 30.300 -0.459 0.000 0.851 123 R HN 0.195 nan 8.270 nan 0.000 0.432 124 E N 0.847 121.044 120.200 -0.006 0.000 2.072 124 E HA -0.139 4.211 4.350 0.001 0.000 0.191 124 E C 1.629 178.275 176.600 0.078 0.000 0.985 124 E CA 1.480 57.906 56.400 0.042 0.000 0.801 124 E CB 0.076 29.778 29.700 0.004 0.000 0.750 124 E HN 0.314 nan 8.360 nan 0.000 0.452 125 K N -1.013 119.431 120.400 0.074 0.000 2.354 125 K HA 0.255 4.575 4.320 0.001 0.000 0.194 125 K C 0.343 177.007 176.600 0.107 0.000 1.038 125 K CA 0.459 56.793 56.287 0.078 0.000 1.052 125 K CB 1.227 33.760 32.500 0.055 0.000 0.861 125 K HN 0.206 nan 8.250 nan 0.000 0.535 126 G N 0.930 109.826 108.800 0.160 0.000 2.707 126 G HA2 -0.054 3.906 3.960 0.001 0.000 0.686 126 G HA3 -0.054 3.906 3.960 0.001 0.000 0.686 126 G C -0.370 174.621 174.900 0.151 0.000 1.315 126 G CA -0.812 44.405 45.100 0.194 0.000 0.832 126 G HN 0.281 nan 8.290 nan 0.000 0.573 127 A N 0.300 123.209 122.820 0.149 0.000 2.547 127 A HA 0.515 4.835 4.320 0.001 0.000 0.233 127 A C 0.699 178.329 177.584 0.077 0.000 1.067 127 A CA 1.486 53.585 52.037 0.102 0.000 0.763 127 A CB 0.239 19.280 19.000 0.069 0.000 1.007 127 A HN 1.023 nan 8.150 nan 0.000 0.506 128 Q N 0.377 120.215 119.800 0.063 0.000 2.377 128 Q HA 0.262 4.603 4.340 0.001 0.000 0.279 128 Q C -1.238 174.791 176.000 0.047 0.000 1.049 128 Q CA -1.065 54.775 55.803 0.062 0.000 0.825 128 Q CB 1.805 30.580 28.738 0.061 0.000 1.401 128 Q HN 0.847 nan 8.270 nan 0.000 0.404 129 N N 0.010 118.753 118.700 0.071 0.000 2.513 129 N HA 0.637 5.377 4.740 0.001 0.000 0.274 129 N C -0.316 175.190 175.510 -0.006 0.000 1.189 129 N CA 0.177 53.248 53.050 0.036 0.000 0.975 129 N CB 1.435 40.039 38.487 0.195 0.000 1.157 129 N HN 0.755 nan 8.380 nan 0.000 0.465 130 G N -1.419 107.331 108.800 -0.084 0.000 2.645 130 G HA2 0.509 4.470 3.960 0.001 0.000 0.292 130 G HA3 0.509 4.470 3.960 0.001 0.000 0.292 130 G C -1.727 173.126 174.900 -0.078 0.000 1.415 130 G CA -0.408 44.665 45.100 -0.045 0.000 0.785 130 G HN 0.690 nan 8.290 nan 0.000 0.483 131 C N 0.214 119.489 119.300 -0.041 0.000 2.686 131 C HA 0.809 5.269 4.460 0.001 0.000 0.318 131 C C -0.772 174.196 174.990 -0.036 0.000 1.160 131 C CA -0.720 58.270 59.018 -0.046 0.000 1.396 131 C CB -0.026 27.703 27.740 -0.018 0.000 1.924 131 C HN 0.651 nan 8.230 nan 0.000 0.471 132 I N 5.458 126.001 120.570 -0.044 0.000 2.412 132 I HA 0.527 4.698 4.170 0.001 0.000 0.296 132 I C -0.374 175.728 176.117 -0.026 0.000 0.987 132 I CA -0.458 60.819 61.300 -0.039 0.000 1.180 132 I CB 1.584 39.555 38.000 -0.048 0.000 1.340 132 I HN 0.540 nan 8.210 nan 0.000 0.455 133 I N 5.291 125.849 120.570 -0.020 0.000 2.447 133 I HA 0.545 4.716 4.170 0.001 0.000 0.287 133 I C -0.319 175.795 176.117 -0.005 0.000 1.023 133 I CA -0.378 60.916 61.300 -0.009 0.000 1.083 133 I CB 1.921 39.919 38.000 -0.002 0.000 1.245 133 I HN 0.610 nan 8.210 nan 0.000 0.434 134 A N 4.858 127.676 122.820 -0.003 0.000 2.330 134 A HA 0.977 5.298 4.320 0.001 0.000 0.313 134 A C -0.154 177.433 177.584 0.005 0.000 1.124 134 A CA -0.267 51.771 52.037 0.001 0.000 0.774 134 A CB 1.291 20.289 19.000 -0.004 0.000 1.198 134 A HN 0.920 nan 8.150 nan 0.000 0.465 135 G N 0.663 109.468 108.800 0.009 0.000 2.315 135 G HA2 0.334 4.295 3.960 0.001 0.000 0.294 135 G HA3 0.334 4.295 3.960 0.001 0.000 0.294 135 G C -0.170 174.738 174.900 0.013 0.000 1.300 135 G CA 0.011 45.117 45.100 0.009 0.000 0.843 135 G HN 0.376 nan 8.290 nan 0.000 0.527 136 D N -0.047 120.359 120.400 0.011 0.000 2.177 136 D HA -0.132 4.509 4.640 0.001 0.000 0.189 136 D C 0.671 176.980 176.300 0.015 0.000 1.002 136 D CA 1.748 55.754 54.000 0.011 0.000 0.845 136 D CB 0.110 40.915 40.800 0.008 0.000 0.960 136 D HN 0.336 nan 8.370 nan 0.000 0.447 137 N N 0.373 119.083 118.700 0.016 0.000 2.648 137 N HA 0.237 4.977 4.740 0.001 0.000 0.261 137 N C -2.707 172.818 175.510 0.025 0.000 1.138 137 N CA -0.866 52.197 53.050 0.021 0.000 0.804 137 N CB 2.238 40.734 38.487 0.015 0.000 1.237 137 N HN -0.084 nan 8.380 nan 0.000 0.532 138 P HA 0.075 nan 4.420 nan 0.000 0.276 138 P C -0.783 176.540 177.300 0.039 0.000 1.253 138 P CA -0.167 62.953 63.100 0.033 0.000 0.766 138 P CB 0.612 32.331 31.700 0.033 0.000 0.845 139 D N 2.875 123.291 120.400 0.027 0.000 2.359 139 D HA 0.209 4.849 4.640 0.001 0.000 0.250 139 D C 1.209 177.523 176.300 0.024 0.000 1.264 139 D CA -0.193 53.823 54.000 0.026 0.000 0.911 139 D CB 0.560 41.371 40.800 0.020 0.000 1.056 139 D HN 0.299 nan 8.370 nan 0.000 0.499 140 A N 3.764 126.604 122.820 0.034 0.000 2.067 140 A HA 0.029 4.349 4.320 0.001 0.000 0.219 140 A C 2.027 179.621 177.584 0.017 0.000 1.158 140 A CA 1.457 53.508 52.037 0.024 0.000 0.661 140 A CB -0.229 18.800 19.000 0.049 0.000 0.801 140 A HN 0.603 nan 8.150 nan 0.000 0.452 141 A N -0.731 122.101 122.820 0.019 0.000 1.970 141 A HA 0.157 4.477 4.320 0.001 0.000 0.216 141 A C 1.999 179.594 177.584 0.017 0.000 1.170 141 A CA 1.371 53.418 52.037 0.016 0.000 0.645 141 A CB -0.398 18.611 19.000 0.015 0.000 0.816 141 A HN 0.548 nan 8.150 nan 0.000 0.447 142 L N -0.060 121.173 121.223 0.017 0.000 2.072 142 L HA 0.053 4.393 4.340 0.001 0.000 0.205 142 L C 2.606 179.488 176.870 0.019 0.000 1.079 142 L CA 2.054 56.905 54.840 0.018 0.000 0.752 142 L CB -1.101 40.968 42.059 0.017 0.000 0.906 142 L HN 0.325 nan 8.230 nan 0.000 0.436 143 A N -0.483 122.345 122.820 0.014 0.000 1.883 143 A HA -0.238 4.083 4.320 0.001 0.000 0.217 143 A C 2.263 179.857 177.584 0.017 0.000 1.186 143 A CA 2.080 54.123 52.037 0.010 0.000 0.624 143 A CB -1.094 17.905 19.000 -0.002 0.000 0.822 143 A HN 0.467 nan 8.150 nan 0.000 0.444 144 L N -0.016 121.217 121.223 0.016 0.000 2.083 144 L HA -0.148 4.193 4.340 0.001 0.000 0.209 144 L C 2.256 179.145 176.870 0.032 0.000 1.083 144 L CA 2.595 57.449 54.840 0.022 0.000 0.752 144 L CB -0.667 41.402 42.059 0.016 0.000 0.899 144 L HN 0.631 nan 8.230 nan 0.000 0.433 145 E N -0.540 119.678 120.200 0.030 0.000 2.017 145 E HA -0.265 4.086 4.350 0.001 0.000 0.193 145 E C 2.162 178.792 176.600 0.049 0.000 0.997 145 E CA 1.559 57.980 56.400 0.035 0.000 0.804 145 E CB -0.063 29.655 29.700 0.030 0.000 0.757 145 E HN 0.452 nan 8.360 nan 0.000 0.448 146 K N 0.065 120.495 120.400 0.050 0.000 2.044 146 K HA -0.222 4.098 4.320 0.001 0.000 0.210 146 K C 2.223 178.881 176.600 0.098 0.000 1.049 146 K CA 1.306 57.635 56.287 0.069 0.000 0.927 146 K CB -0.301 32.228 32.500 0.050 0.000 0.713 146 K HN 0.182 nan 8.250 nan 0.000 0.443 147 A N 1.613 124.475 122.820 0.070 0.000 1.908 147 A HA -0.174 4.147 4.320 0.001 0.000 0.218 147 A C 2.079 179.738 177.584 0.124 0.000 1.181 147 A CA 1.322 53.407 52.037 0.080 0.000 0.627 147 A CB -0.386 18.640 19.000 0.044 0.000 0.818 147 A HN 0.218 nan 8.150 nan 0.000 0.445 148 R N -0.891 119.663 120.500 0.091 0.000 2.148 148 R HA 0.006 4.346 4.340 0.001 0.000 0.223 148 R C 2.213 178.568 176.300 0.092 0.000 1.088 148 R CA 0.964 57.115 56.100 0.084 0.000 0.985 148 R CB -0.276 30.057 30.300 0.055 0.000 0.880 148 R HN 0.527 nan 8.270 nan 0.000 0.451 149 A N 0.625 123.507 122.820 0.102 0.000 2.072 149 A HA -0.030 4.290 4.320 0.001 0.000 0.216 149 A C 0.722 178.368 177.584 0.104 0.000 1.156 149 A CA -0.278 51.810 52.037 0.085 0.000 0.701 149 A CB -0.241 18.804 19.000 0.075 0.000 0.816 149 A HN 0.267 nan 8.150 nan 0.000 0.458 150 F N 1.646 121.610 119.950 0.024 0.000 2.612 150 F HA 0.099 4.626 4.527 0.001 0.000 0.389 150 F C -1.134 174.684 175.800 0.029 0.000 1.055 150 F CA -1.298 56.719 58.000 0.028 0.000 1.232 150 F CB 0.901 39.919 39.000 0.030 0.000 1.044 150 F HN 0.083 nan 8.300 nan 0.000 0.560 151 P HA 0.088 nan 4.420 nan 0.000 0.223 151 P C 0.275 177.300 177.300 -0.458 0.000 1.151 151 P CA 1.360 64.167 63.100 -0.489 0.000 0.787 151 P CB -0.211 31.227 31.700 -0.437 0.000 0.788 152 G N -0.710 107.592 108.800 -0.830 0.000 2.712 152 G HA2 -0.183 3.778 3.960 0.001 0.000 0.686 152 G HA3 -0.183 3.778 3.960 0.001 0.000 0.686 152 G C 0.011 174.898 174.900 -0.021 0.000 1.321 152 G CA -0.582 44.460 45.100 -0.096 0.000 0.813 152 G HN 0.082 nan 8.290 nan 0.000 0.599 153 L N 1.190 122.545 121.223 0.219 0.000 2.217 153 L HA 0.115 4.455 4.340 0.001 0.000 0.211 153 L C 1.865 178.897 176.870 0.271 0.000 1.107 153 L CA 1.093 56.084 54.840 0.251 0.000 0.783 153 L CB -0.861 41.396 42.059 0.330 0.000 0.919 153 L HN 0.708 nan 8.230 nan 0.000 0.442 154 N N -0.086 118.757 118.700 0.238 0.000 2.440 154 N HA 0.182 4.923 4.740 0.001 0.000 0.265 154 N C 1.112 176.689 175.510 0.112 0.000 1.239 154 N CA 0.694 53.898 53.050 0.258 0.000 0.909 154 N CB 0.171 38.754 38.487 0.161 0.000 1.066 154 N HN 0.370 nan 8.380 nan 0.000 0.474 155 G N 3.184 112.019 108.800 0.058 0.000 2.176 155 G HA2 -0.304 3.657 3.960 0.001 0.000 0.253 155 G HA3 -0.304 3.657 3.960 0.001 0.000 0.253 155 G C 0.120 174.996 174.900 -0.039 0.000 0.979 155 G CA 0.036 45.123 45.100 -0.021 0.000 0.641 155 G HN 0.591 nan 8.290 nan 0.000 0.530 156 M N 1.766 121.355 119.600 -0.019 0.000 2.144 156 M HA 0.461 4.942 4.480 0.001 0.000 0.356 156 M C -0.674 175.599 176.300 -0.045 0.000 1.217 156 M CA -0.682 54.607 55.300 -0.019 0.000 1.087 156 M CB 0.817 33.428 32.600 0.019 0.000 1.609 156 M HN 0.116 nan 8.290 nan 0.000 0.467 157 D N 5.227 125.609 120.400 -0.031 0.000 2.359 157 D HA 0.229 4.870 4.640 0.001 0.000 0.230 157 D C 0.039 176.352 176.300 0.022 0.000 1.118 157 D CA -0.096 53.889 54.000 -0.024 0.000 0.844 157 D CB 0.776 41.588 40.800 0.021 0.000 1.059 157 D HN 0.752 nan 8.370 nan 0.000 0.493 158 L N 3.146 124.383 121.223 0.023 0.000 2.609 158 L HA 0.228 4.568 4.340 0.001 0.000 0.230 158 L C 2.335 179.248 176.870 0.072 0.000 1.087 158 L CA 0.167 55.041 54.840 0.057 0.000 0.874 158 L CB -0.036 42.066 42.059 0.072 0.000 1.114 158 L HN 0.454 nan 8.230 nan 0.000 0.488 159 A N 2.058 124.921 122.820 0.071 0.000 1.892 159 A HA -0.275 4.046 4.320 0.001 0.000 0.218 159 A C 2.267 179.961 177.584 0.184 0.000 1.188 159 A CA 2.409 54.531 52.037 0.142 0.000 0.631 159 A CB -0.486 18.599 19.000 0.142 0.000 0.822 159 A HN 0.535 nan 8.150 nan 0.000 0.447 160 K N -0.965 119.540 120.400 0.175 0.000 2.360 160 K HA -0.116 4.205 4.320 0.001 0.000 0.201 160 K C 1.255 177.895 176.600 0.067 0.000 1.046 160 K CA 1.421 57.763 56.287 0.091 0.000 0.945 160 K CB -0.104 32.399 32.500 0.005 0.000 0.750 160 K HN 0.389 nan 8.250 nan 0.000 0.464 161 E N 1.225 121.473 120.200 0.080 0.000 2.072 161 E HA -0.099 4.251 4.350 0.001 0.000 0.190 161 E C 2.222 178.876 176.600 0.090 0.000 0.982 161 E CA 1.664 58.111 56.400 0.077 0.000 0.803 161 E CB 0.041 29.791 29.700 0.082 0.000 0.755 161 E HN 0.440 nan 8.360 nan 0.000 0.453 162 V N -1.412 118.557 119.914 0.091 0.000 3.590 162 V HA 0.142 4.263 4.120 0.001 0.000 0.265 162 V C 1.358 177.511 176.094 0.098 0.000 1.239 162 V CA 0.158 62.511 62.300 0.088 0.000 1.117 162 V CB -0.136 31.689 31.823 0.004 0.000 0.818 162 V HN -0.024 nan 8.190 nan 0.000 0.451 163 T N 1.558 116.178 114.554 0.109 0.000 2.791 163 T HA 0.129 4.479 4.350 0.001 0.000 0.323 163 T C 0.465 175.231 174.700 0.111 0.000 1.082 163 T CA 1.090 63.258 62.100 0.114 0.000 1.084 163 T CB 0.639 69.584 68.868 0.128 0.000 0.992 163 T HN 0.705 nan 8.240 nan 0.000 0.547 164 T N 1.792 116.425 114.554 0.130 0.000 2.918 164 T HA 0.473 4.823 4.350 0.001 0.000 0.302 164 T C 1.292 176.056 174.700 0.107 0.000 1.045 164 T CA -0.087 62.104 62.100 0.153 0.000 1.114 164 T CB 0.280 69.325 68.868 0.295 0.000 0.965 164 T HN 0.727 nan 8.240 nan 0.000 0.540 165 A N 4.103 126.976 122.820 0.088 0.000 1.854 165 A HA 0.151 4.471 4.320 0.001 0.000 0.214 165 A C 0.714 178.338 177.584 0.066 0.000 1.192 165 A CA 0.948 53.022 52.037 0.061 0.000 0.611 165 A CB -0.290 18.738 19.000 0.047 0.000 0.832 165 A HN 0.897 nan 8.150 nan 0.000 0.442 166 E N -1.001 119.254 120.200 0.092 0.000 2.244 166 E HA 0.652 5.002 4.350 0.001 0.000 0.266 166 E C -0.511 176.193 176.600 0.173 0.000 0.914 166 E CA -0.660 55.799 56.400 0.099 0.000 0.794 166 E CB 1.590 31.338 29.700 0.080 0.000 1.210 166 E HN 0.344 nan 8.360 nan 0.000 0.414 167 A N 1.625 124.520 122.820 0.125 0.000 2.366 167 A HA 0.504 4.825 4.320 0.001 0.000 0.249 167 A C -0.932 176.792 177.584 0.233 0.000 1.084 167 A CA 0.007 52.112 52.037 0.114 0.000 0.794 167 A CB -0.141 18.863 19.000 0.007 0.000 1.034 167 A HN 0.661 nan 8.150 nan 0.000 0.491 168 Y N -1.198 119.135 120.300 0.055 0.000 2.689 168 Y HA 0.704 5.254 4.550 0.001 0.000 0.333 168 Y C -0.325 175.644 175.900 0.116 0.000 1.208 168 Y CA -0.854 57.293 58.100 0.078 0.000 1.055 168 Y CB 0.599 39.110 38.460 0.085 0.000 1.304 168 Y HN 0.599 nan 8.280 nan 0.000 0.455 169 S N 1.696 117.511 115.700 0.192 0.000 2.541 169 S HA 0.522 4.992 4.470 0.001 0.000 0.283 169 S C -1.677 173.096 174.600 0.289 0.000 1.196 169 S CA -0.420 57.871 58.200 0.151 0.000 1.062 169 S CB 0.514 63.786 63.200 0.119 0.000 1.009 169 S HN 0.728 nan 8.310 nan 0.000 0.502 170 W N 4.182 125.517 121.300 0.058 0.000 2.715 170 W HA 0.401 5.061 4.660 0.001 0.000 0.331 170 W C -0.417 176.139 176.519 0.062 0.000 1.031 170 W CA -0.644 56.755 57.345 0.091 0.000 1.237 170 W CB 1.505 31.005 29.460 0.066 0.000 1.378 170 W HN 0.797 nan 8.180 nan 0.000 0.454 171 T N 0.839 115.353 114.554 -0.067 0.000 3.475 171 T HA 0.143 4.494 4.350 0.001 0.000 0.310 171 T C -0.338 174.325 174.700 -0.062 0.000 0.963 171 T CA -0.184 61.929 62.100 0.022 0.000 0.985 171 T CB 0.202 69.069 68.868 -0.003 0.000 1.198 171 T HN 0.462 nan 8.240 nan 0.000 0.508 172 Q N 0.720 120.398 119.800 -0.205 0.000 2.271 172 Q HA 0.643 4.983 4.340 0.001 0.000 0.258 172 Q C 0.129 176.292 176.000 0.273 0.000 0.936 172 Q CA -0.591 55.175 55.803 -0.062 0.000 0.909 172 Q CB 1.463 30.031 28.738 -0.283 0.000 1.253 172 Q HN 0.558 nan 8.270 nan 0.000 0.440 173 G N 1.723 110.620 108.800 0.160 0.000 2.568 173 G HA2 0.365 4.325 3.960 0.001 0.000 0.293 173 G HA3 0.365 4.325 3.960 0.001 0.000 0.293 173 G C -0.574 174.424 174.900 0.163 0.000 1.347 173 G CA -0.530 44.663 45.100 0.155 0.000 1.039 173 G HN 0.653 nan 8.290 nan 0.000 0.523 174 S N -1.178 114.594 115.700 0.120 0.000 2.596 174 S HA 0.180 4.651 4.470 0.001 0.000 0.260 174 S C -0.432 174.282 174.600 0.190 0.000 1.336 174 S CA -0.237 58.054 58.200 0.152 0.000 0.993 174 S CB 0.706 63.968 63.200 0.103 0.000 0.923 174 S HN 0.525 nan 8.310 nan 0.000 0.567 175 W N 1.733 123.055 121.300 0.037 0.000 2.215 175 W HA 0.482 5.143 4.660 0.001 0.000 0.342 175 W C 0.022 176.563 176.519 0.037 0.000 1.237 175 W CA -0.227 57.141 57.345 0.039 0.000 1.283 175 W CB 0.584 30.070 29.460 0.042 0.000 1.131 175 W HN 0.681 nan 8.180 nan 0.000 0.606 176 T N 3.340 117.383 114.554 -0.851 0.000 2.916 176 T HA 0.228 4.579 4.350 0.001 0.000 0.305 176 T C 0.006 173.683 174.700 -1.706 0.000 1.119 176 T CA -0.754 60.764 62.100 -0.971 0.000 1.008 176 T CB 1.486 70.095 68.868 -0.431 0.000 1.129 176 T HN 0.689 nan 8.240 nan 0.000 0.480 177 L N 2.333 122.780 121.223 -1.293 0.000 1.989 177 L HA 0.032 4.373 4.340 0.001 0.000 0.211 177 L C 2.492 179.132 176.870 -0.384 0.000 1.071 177 L CA 2.383 56.778 54.840 -0.741 0.000 0.749 177 L CB -1.301 40.672 42.059 -0.144 0.000 0.890 177 L HN 0.952 nan 8.230 nan 0.000 0.431 178 T N -0.756 113.617 114.554 -0.301 0.000 2.674 178 T HA -0.081 4.269 4.350 0.001 0.000 0.265 178 T C 1.439 176.032 174.700 -0.179 0.000 1.039 178 T CA 1.518 63.512 62.100 -0.177 0.000 1.150 178 T CB -0.620 68.166 68.868 -0.136 0.000 0.864 178 T HN 0.607 nan 8.240 nan 0.000 0.427 179 G N -0.562 108.087 108.800 -0.251 0.000 2.796 179 G HA2 0.463 4.424 3.960 0.001 0.000 0.210 179 G HA3 0.463 4.424 3.960 0.001 0.000 0.210 179 G C 0.797 175.565 174.900 -0.219 0.000 1.146 179 G CA 0.492 45.477 45.100 -0.190 0.000 0.779 179 G HN 0.856 nan 8.290 nan 0.000 0.535 180 G N -0.174 108.351 108.800 -0.458 0.000 2.553 180 G HA2 -0.221 3.740 3.960 0.001 0.000 0.242 180 G HA3 -0.221 3.740 3.960 0.001 0.000 0.242 180 G C -0.215 174.604 174.900 -0.136 0.000 1.277 180 G CA -0.301 44.604 45.100 -0.325 0.000 0.910 180 G HN 0.564 nan 8.290 nan 0.000 0.576 181 L N 3.027 124.344 121.223 0.157 0.000 2.331 181 L HA 0.417 4.758 4.340 0.001 0.000 0.278 181 L C -1.056 175.854 176.870 0.066 0.000 1.106 181 L CA -1.502 53.440 54.840 0.169 0.000 0.824 181 L CB 1.155 43.338 42.059 0.206 0.000 1.142 181 L HN 0.562 nan 8.230 nan 0.000 0.443 182 P HA 0.108 nan 4.420 nan 0.000 0.276 182 P C -0.655 176.645 177.300 -0.000 0.000 1.244 182 P CA -0.589 62.517 63.100 0.011 0.000 0.801 182 P CB 0.828 32.535 31.700 0.011 0.000 1.006 183 E N 0.164 120.354 120.200 -0.016 0.000 2.384 183 E HA 0.260 4.611 4.350 0.001 0.000 0.266 183 E C 0.094 176.666 176.600 -0.046 0.000 1.012 183 E CA -0.336 56.044 56.400 -0.032 0.000 0.901 183 E CB 0.622 30.305 29.700 -0.029 0.000 0.967 183 E HN 0.497 nan 8.360 nan 0.000 0.435 184 A N 4.850 127.622 122.820 -0.080 0.000 2.540 184 A HA 0.005 4.325 4.320 0.001 0.000 0.239 184 A C 0.301 177.847 177.584 -0.063 0.000 1.061 184 A CA 0.236 52.210 52.037 -0.105 0.000 0.758 184 A CB 0.268 19.162 19.000 -0.177 0.000 0.991 184 A HN 0.535 nan 8.150 nan 0.000 0.502 185 K N 1.445 121.818 120.400 -0.044 0.000 2.230 185 K HA 0.136 4.456 4.320 0.001 0.000 0.253 185 K C -0.055 176.528 176.600 -0.030 0.000 1.008 185 K CA 0.057 56.327 56.287 -0.028 0.000 0.910 185 K CB 0.442 32.935 32.500 -0.011 0.000 0.994 185 K HN 0.643 nan 8.250 nan 0.000 0.495 186 K N 1.182 121.566 120.400 -0.028 0.000 2.098 186 K HA 0.036 4.356 4.320 0.001 0.000 0.257 186 K C 1.011 177.596 176.600 -0.024 0.000 0.999 186 K CA -0.054 56.217 56.287 -0.027 0.000 0.924 186 K CB 0.863 33.347 32.500 -0.028 0.000 1.028 186 K HN 0.443 nan 8.250 nan 0.000 0.466 187 E N 0.963 121.149 120.200 -0.023 0.000 2.110 187 E HA -0.201 4.149 4.350 0.001 0.000 0.193 187 E C 0.728 177.308 176.600 -0.034 0.000 0.988 187 E CA 1.448 57.834 56.400 -0.024 0.000 0.804 187 E CB 0.090 29.771 29.700 -0.030 0.000 0.745 187 E HN 0.597 nan 8.360 nan 0.000 0.458 188 D N 0.388 120.766 120.400 -0.037 0.000 2.378 188 D HA -0.142 4.499 4.640 0.001 0.000 0.227 188 D C 0.630 176.899 176.300 -0.051 0.000 1.012 188 D CA 0.586 54.560 54.000 -0.043 0.000 0.905 188 D CB -0.196 40.581 40.800 -0.038 0.000 0.895 188 D HN 0.330 nan 8.370 nan 0.000 0.532 189 E N -0.070 120.101 120.200 -0.048 0.000 2.481 189 E HA 0.223 4.574 4.350 0.001 0.000 0.198 189 E C 0.104 176.661 176.600 -0.071 0.000 1.027 189 E CA -0.064 56.303 56.400 -0.054 0.000 0.900 189 E CB 0.620 30.296 29.700 -0.040 0.000 0.993 189 E HN 0.257 nan 8.360 nan 0.000 0.482 190 L N 1.806 122.982 121.223 -0.077 0.000 2.377 190 L HA 0.287 4.627 4.340 0.001 0.000 0.270 190 L C -1.848 174.918 176.870 -0.174 0.000 0.991 190 L CA -1.941 52.838 54.840 -0.102 0.000 0.851 190 L CB 1.563 43.610 42.059 -0.019 0.000 1.218 190 L HN -0.170 nan 8.230 nan 0.000 0.420 191 P HA -0.150 nan 4.420 nan 0.000 0.214 191 P C 0.098 177.164 177.300 -0.390 0.000 1.163 191 P CA 1.393 64.158 63.100 -0.558 0.000 0.889 191 P CB 0.049 31.058 31.700 -1.151 0.000 0.790 192 F N -1.998 117.971 119.950 0.032 0.000 2.403 192 F HA 0.408 4.935 4.527 0.001 0.000 0.326 192 F C 1.141 177.011 175.800 0.117 0.000 1.081 192 F CA -0.974 57.056 58.000 0.050 0.000 1.041 192 F CB 0.570 39.569 39.000 -0.002 0.000 1.234 192 F HN -0.099 nan 8.300 nan 0.000 0.503 193 H N 1.450 120.646 119.070 0.209 0.000 2.587 193 H HA 0.608 5.164 4.556 0.001 0.000 0.325 193 H C -1.740 173.655 175.328 0.111 0.000 1.012 193 H CA -0.602 55.520 56.048 0.124 0.000 1.213 193 H CB 1.458 31.273 29.762 0.088 0.000 1.431 193 H HN 0.468 nan 8.280 nan 0.000 0.492 194 V N 6.190 125.987 119.914 -0.196 0.000 2.555 194 V HA 0.183 4.304 4.120 0.001 0.000 0.302 194 V C -0.187 175.705 176.094 -0.336 0.000 1.038 194 V CA -0.811 61.368 62.300 -0.201 0.000 0.887 194 V CB 1.901 33.759 31.823 0.059 0.000 0.991 194 V HN 0.516 nan 8.190 nan 0.000 0.434 195 V N 4.170 123.916 119.914 -0.279 0.000 2.350 195 V HA 0.717 4.838 4.120 0.001 0.000 0.276 195 V C 0.421 176.450 176.094 -0.109 0.000 1.028 195 V CA -0.357 61.798 62.300 -0.242 0.000 0.860 195 V CB 1.314 32.986 31.823 -0.251 0.000 0.990 195 V HN 0.975 nan 8.190 nan 0.000 0.453 196 A N 4.838 127.592 122.820 -0.110 0.000 2.303 196 A HA 0.732 5.052 4.320 0.001 0.000 0.320 196 A C -1.038 176.418 177.584 -0.213 0.000 1.192 196 A CA -0.488 51.543 52.037 -0.010 0.000 0.821 196 A CB 0.441 19.505 19.000 0.107 0.000 1.188 196 A HN 0.709 nan 8.150 nan 0.000 0.492 197 Y N 1.646 121.723 120.300 -0.371 0.000 2.436 197 Y HA 0.169 4.720 4.550 0.001 0.000 0.343 197 Y C 0.594 175.993 175.900 -0.836 0.000 1.008 197 Y CA 0.403 58.100 58.100 -0.671 0.000 1.241 197 Y CB 0.847 38.705 38.460 -1.003 0.000 1.153 197 Y HN 0.720 nan 8.280 nan 0.000 0.521 198 D N 3.919 124.067 120.400 -0.420 0.000 2.402 198 D HA 0.060 4.700 4.640 0.001 0.000 0.235 198 D C -0.594 175.604 176.300 -0.170 0.000 1.226 198 D CA 0.122 53.979 54.000 -0.238 0.000 0.918 198 D CB -0.087 40.679 40.800 -0.056 0.000 1.043 198 D HN 0.298 nan 8.370 nan 0.000 0.506 199 F N 1.393 121.375 119.950 0.053 0.000 2.647 199 F HA 0.372 4.900 4.527 0.001 0.000 0.300 199 F C 1.643 177.439 175.800 -0.006 0.000 1.106 199 F CA -0.451 57.566 58.000 0.029 0.000 1.313 199 F CB 0.438 39.417 39.000 -0.035 0.000 1.007 199 F HN 0.527 nan 8.300 nan 0.000 0.536 200 G N 0.549 109.419 108.800 0.117 0.000 2.468 200 G HA2 0.134 4.095 3.960 0.001 0.000 0.143 200 G HA3 0.134 4.095 3.960 0.001 0.000 0.143 200 G C 0.060 174.973 174.900 0.021 0.000 1.065 200 G CA -0.535 44.580 45.100 0.024 0.000 0.776 200 G HN 0.543 nan 8.290 nan 0.000 0.486 201 A N 0.240 123.082 122.820 0.036 0.000 2.511 201 A HA 0.582 4.903 4.320 0.001 0.000 0.242 201 A C 0.762 178.359 177.584 0.021 0.000 1.069 201 A CA 0.468 52.528 52.037 0.037 0.000 0.763 201 A CB 0.361 19.371 19.000 0.017 0.000 1.001 201 A HN 0.486 nan 8.150 nan 0.000 0.498 202 K N 1.618 122.039 120.400 0.034 0.000 2.249 202 K HA 0.195 4.516 4.320 0.001 0.000 0.280 202 K C 0.958 177.519 176.600 -0.066 0.000 1.033 202 K CA -0.400 55.903 56.287 0.027 0.000 0.946 202 K CB 1.066 33.610 32.500 0.074 0.000 1.005 202 K HN 0.709 nan 8.250 nan 0.000 0.469 203 R N 1.417 121.874 120.500 -0.072 0.000 2.105 203 R HA -0.207 4.133 4.340 0.001 0.000 0.239 203 R C 1.659 177.857 176.300 -0.170 0.000 1.135 203 R CA 1.512 57.488 56.100 -0.206 0.000 0.967 203 R CB -0.286 30.033 30.300 0.031 0.000 0.861 203 R HN 0.555 nan 8.270 nan 0.000 0.442 204 N N 0.899 119.573 118.700 -0.044 0.000 2.205 204 N HA -0.124 4.617 4.740 0.001 0.000 0.186 204 N C 1.541 177.006 175.510 -0.075 0.000 1.015 204 N CA 1.080 54.115 53.050 -0.024 0.000 0.862 204 N CB -0.050 38.447 38.487 0.017 0.000 0.986 204 N HN 0.199 nan 8.380 nan 0.000 0.429 205 I N -0.114 120.415 120.570 -0.068 0.000 2.252 205 I HA -0.235 3.936 4.170 0.001 0.000 0.245 205 I C 1.744 177.713 176.117 -0.247 0.000 1.102 205 I CA 0.739 61.999 61.300 -0.067 0.000 1.385 205 I CB -0.137 37.852 38.000 -0.018 0.000 1.064 205 I HN 0.176 nan 8.210 nan 0.000 0.414 206 L N -0.107 120.895 121.223 -0.368 0.000 2.072 206 L HA -0.146 4.195 4.340 0.001 0.000 0.205 206 L C 2.701 179.411 176.870 -0.267 0.000 1.079 206 L CA 1.240 55.760 54.840 -0.532 0.000 0.752 206 L CB -0.693 40.566 42.059 -1.334 0.000 0.906 206 L HN 0.156 nan 8.230 nan 0.000 0.436 207 R N -0.050 120.373 120.500 -0.128 0.000 2.073 207 R HA -0.109 4.232 4.340 0.001 0.000 0.234 207 R C 2.430 178.713 176.300 -0.028 0.000 1.134 207 R CA 1.495 57.663 56.100 0.113 0.000 0.952 207 R CB -0.243 30.152 30.300 0.159 0.000 0.850 207 R HN 0.277 nan 8.270 nan 0.000 0.433 208 M N 0.319 119.806 119.600 -0.187 0.000 2.108 208 M HA -0.208 4.272 4.480 0.001 0.000 0.261 208 M C 2.215 178.285 176.300 -0.382 0.000 1.066 208 M CA 1.629 56.701 55.300 -0.380 0.000 1.107 208 M CB -0.329 31.854 32.600 -0.694 0.000 1.356 208 M HN 0.186 nan 8.290 nan 0.000 0.406 209 L N -0.598 120.449 121.223 -0.293 0.000 2.046 209 L HA -0.187 4.153 4.340 0.001 0.000 0.208 209 L C 2.424 179.298 176.870 0.007 0.000 1.077 209 L CA 0.916 55.696 54.840 -0.100 0.000 0.747 209 L CB -0.620 41.404 42.059 -0.059 0.000 0.896 209 L HN 0.131 nan 8.230 nan 0.000 0.432 210 V N -0.449 119.487 119.914 0.035 0.000 2.407 210 V HA -0.278 3.842 4.120 0.001 0.000 0.248 210 V C 2.036 178.160 176.094 0.049 0.000 1.055 210 V CA 1.765 64.123 62.300 0.097 0.000 1.049 210 V CB -0.571 31.366 31.823 0.189 0.000 0.662 210 V HN 0.423 nan 8.190 nan 0.000 0.455 211 D N 0.290 120.693 120.400 0.005 0.000 2.182 211 D HA -0.147 4.494 4.640 0.001 0.000 0.201 211 D C 2.255 178.555 176.300 0.000 0.000 0.986 211 D CA 1.138 55.131 54.000 -0.012 0.000 0.847 211 D CB -0.246 40.519 40.800 -0.058 0.000 0.942 211 D HN 0.411 nan 8.370 nan 0.000 0.467 212 R N -0.735 119.770 120.500 0.009 0.000 2.310 212 R HA 0.249 4.590 4.340 0.001 0.000 0.202 212 R C 1.127 177.524 176.300 0.161 0.000 0.933 212 R CA 0.537 56.681 56.100 0.073 0.000 1.054 212 R CB 0.465 30.808 30.300 0.073 0.000 0.985 212 R HN 0.149 nan 8.270 nan 0.000 0.489 213 G N 0.099 108.960 108.800 0.103 0.000 2.148 213 G HA2 -0.229 3.732 3.960 0.001 0.000 0.203 213 G HA3 -0.229 3.732 3.960 0.001 0.000 0.203 213 G C -0.049 174.924 174.900 0.122 0.000 0.993 213 G CA -0.467 44.655 45.100 0.037 0.000 0.661 213 G HN 0.309 nan 8.290 nan 0.000 0.518 214 C N 1.602 121.016 119.300 0.191 0.000 2.329 214 C HA 0.781 5.242 4.460 0.001 0.000 0.329 214 C C 0.849 175.940 174.990 0.168 0.000 1.275 214 C CA -1.124 58.025 59.018 0.218 0.000 1.726 214 C CB 0.760 28.623 27.740 0.205 0.000 2.291 214 C HN 0.723 nan 8.230 nan 0.000 0.514 215 R N 3.220 123.831 120.500 0.185 0.000 2.349 215 R HA 0.753 5.094 4.340 0.001 0.000 0.299 215 R C -1.467 174.988 176.300 0.258 0.000 1.027 215 R CA -0.298 55.918 56.100 0.193 0.000 0.958 215 R CB 0.504 30.888 30.300 0.139 0.000 1.047 215 R HN 0.770 nan 8.270 nan 0.000 0.468 216 L N 2.045 123.408 121.223 0.234 0.000 2.334 216 L HA 0.443 4.783 4.340 0.001 0.000 0.273 216 L C -0.203 176.758 176.870 0.152 0.000 1.013 216 L CA -0.991 53.952 54.840 0.172 0.000 0.816 216 L CB 2.401 44.538 42.059 0.131 0.000 1.278 216 L HN 0.697 nan 8.230 nan 0.000 0.431 217 T N 3.479 118.070 114.554 0.061 0.000 2.893 217 T HA 0.461 4.812 4.350 0.001 0.000 0.324 217 T C -0.175 174.421 174.700 -0.172 0.000 1.082 217 T CA -0.379 61.730 62.100 0.014 0.000 0.983 217 T CB 0.332 69.307 68.868 0.179 0.000 1.005 217 T HN 0.170 nan 8.240 nan 0.000 0.475 218 I N 5.262 125.620 120.570 -0.353 0.000 2.337 218 I HA 0.315 4.485 4.170 0.001 0.000 0.291 218 I C 0.666 176.555 176.117 -0.379 0.000 1.046 218 I CA -0.799 60.214 61.300 -0.479 0.000 1.324 218 I CB 0.124 37.563 38.000 -0.934 0.000 1.409 218 I HN 0.309 nan 8.210 nan 0.000 0.494 219 V N 5.844 125.560 119.914 -0.330 0.000 2.667 219 V HA 0.684 4.804 4.120 0.001 0.000 0.308 219 V C -2.608 173.346 176.094 -0.233 0.000 1.048 219 V CA -2.542 59.581 62.300 -0.296 0.000 0.928 219 V CB 1.631 33.185 31.823 -0.448 0.000 1.004 219 V HN 0.415 nan 8.190 nan 0.000 0.444 220 P HA 0.137 nan 4.420 nan 0.000 0.266 220 P C 0.798 178.139 177.300 0.067 0.000 1.193 220 P CA 0.839 63.936 63.100 -0.005 0.000 0.770 220 P CB 0.823 32.534 31.700 0.019 0.000 0.836 221 A N 3.482 126.404 122.820 0.169 0.000 1.948 221 A HA -0.254 4.066 4.320 0.001 0.000 0.220 221 A C 1.592 179.528 177.584 0.586 0.000 1.177 221 A CA 1.825 54.141 52.037 0.465 0.000 0.636 221 A CB -0.979 18.389 19.000 0.614 0.000 0.815 221 A HN 0.612 nan 8.150 nan 0.000 0.449 222 Q N -0.005 119.901 119.800 0.177 0.000 2.403 222 Q HA 0.130 4.471 4.340 0.001 0.000 0.203 222 Q C 0.119 176.253 176.000 0.223 0.000 0.932 222 Q CA 0.260 56.098 55.803 0.057 0.000 0.945 222 Q CB -0.187 28.321 28.738 -0.383 0.000 1.045 222 Q HN 0.458 nan 8.270 nan 0.000 0.511 223 T N 1.500 116.228 114.554 0.289 0.000 2.933 223 T HA 0.077 4.428 4.350 0.001 0.000 0.306 223 T C 0.448 175.353 174.700 0.342 0.000 1.045 223 T CA 0.068 62.300 62.100 0.221 0.000 1.143 223 T CB 0.506 69.389 68.868 0.025 0.000 1.003 223 T HN 0.417 nan 8.240 nan 0.000 0.540 224 S N 2.345 118.165 115.700 0.200 0.000 2.585 224 S HA 0.414 4.884 4.470 0.001 0.000 0.273 224 S C 1.640 176.356 174.600 0.193 0.000 1.339 224 S CA -0.456 57.837 58.200 0.154 0.000 1.028 224 S CB 0.953 64.201 63.200 0.081 0.000 0.906 224 S HN 0.774 nan 8.310 nan 0.000 0.528 225 A N 2.135 124.973 122.820 0.030 0.000 1.902 225 A HA -0.036 4.285 4.320 0.001 0.000 0.217 225 A C 1.997 179.673 177.584 0.153 0.000 1.181 225 A CA 1.743 53.739 52.037 -0.070 0.000 0.623 225 A CB -1.191 17.421 19.000 -0.647 0.000 0.818 225 A HN 0.909 nan 8.150 nan 0.000 0.443 226 E N 0.655 120.899 120.200 0.074 0.000 2.058 226 E HA -0.178 4.172 4.350 0.001 0.000 0.194 226 E C 1.575 178.243 176.600 0.113 0.000 0.997 226 E CA 1.567 58.020 56.400 0.087 0.000 0.801 226 E CB -0.326 29.405 29.700 0.051 0.000 0.746 226 E HN 0.590 nan 8.360 nan 0.000 0.450 227 D N -0.413 120.055 120.400 0.113 0.000 2.117 227 D HA -0.114 4.527 4.640 0.001 0.000 0.197 227 D C 1.958 178.330 176.300 0.119 0.000 0.987 227 D CA 0.778 54.839 54.000 0.100 0.000 0.829 227 D CB -0.323 40.526 40.800 0.081 0.000 0.961 227 D HN 0.025 nan 8.370 nan 0.000 0.460 228 V N 1.120 121.144 119.914 0.182 0.000 2.223 228 V HA -0.226 3.895 4.120 0.001 0.000 0.244 228 V C 2.688 178.882 176.094 0.168 0.000 1.045 228 V CA 1.194 63.601 62.300 0.178 0.000 1.000 228 V CB -0.669 31.361 31.823 0.346 0.000 0.635 228 V HN 0.228 nan 8.190 nan 0.000 0.445 229 L N -0.299 121.071 121.223 0.244 0.000 2.123 229 L HA -0.328 4.013 4.340 0.001 0.000 0.217 229 L C 2.580 179.534 176.870 0.140 0.000 1.081 229 L CA 1.910 56.869 54.840 0.199 0.000 0.772 229 L CB -0.840 41.350 42.059 0.219 0.000 0.890 229 L HN 0.406 nan 8.230 nan 0.000 0.437 230 K N -0.245 120.229 120.400 0.123 0.000 2.209 230 K HA -0.138 4.183 4.320 0.001 0.000 0.204 230 K C 1.939 178.597 176.600 0.096 0.000 1.048 230 K CA 1.249 57.594 56.287 0.096 0.000 0.940 230 K CB -0.126 32.423 32.500 0.081 0.000 0.729 230 K HN 0.435 nan 8.250 nan 0.000 0.451 231 M N -0.231 119.436 119.600 0.111 0.000 2.562 231 M HA -0.002 4.478 4.480 0.001 0.000 0.257 231 M C -0.229 176.170 176.300 0.164 0.000 1.099 231 M CA 0.425 55.805 55.300 0.134 0.000 1.099 231 M CB -0.448 32.253 32.600 0.168 0.000 1.427 231 M HN 0.094 nan 8.290 nan 0.000 0.489 232 N N 0.832 119.619 118.700 0.146 0.000 2.699 232 N HA -0.078 4.663 4.740 0.001 0.000 0.257 232 N C -2.675 172.959 175.510 0.208 0.000 1.077 232 N CA -0.199 52.948 53.050 0.161 0.000 0.702 232 N CB -0.584 37.982 38.487 0.131 0.000 0.886 232 N HN 0.226 nan 8.380 nan 0.000 0.549 233 P HA 0.131 nan 4.420 nan 0.000 0.275 233 P C -0.047 177.328 177.300 0.125 0.000 1.228 233 P CA -0.037 63.098 63.100 0.059 0.000 0.786 233 P CB 0.722 32.371 31.700 -0.084 0.000 0.927 234 D N 0.375 120.840 120.400 0.108 0.000 2.289 234 D HA 0.135 4.776 4.640 0.001 0.000 0.207 234 D C 1.076 177.363 176.300 -0.022 0.000 0.966 234 D CA 1.080 55.182 54.000 0.169 0.000 0.868 234 D CB 0.260 41.163 40.800 0.171 0.000 0.943 234 D HN 0.594 nan 8.370 nan 0.000 0.514 235 G N -0.264 108.481 108.800 -0.091 0.000 2.579 235 G HA2 0.513 4.474 3.960 0.001 0.000 0.292 235 G HA3 0.513 4.474 3.960 0.001 0.000 0.292 235 G C -1.678 173.224 174.900 0.002 0.000 1.484 235 G CA -0.764 44.280 45.100 -0.094 0.000 0.813 235 G HN -0.011 nan 8.290 nan 0.000 0.515 236 I N 0.769 121.373 120.570 0.056 0.000 2.389 236 I HA 0.457 4.628 4.170 0.001 0.000 0.288 236 I C -1.040 175.146 176.117 0.115 0.000 0.999 236 I CA -0.696 60.584 61.300 -0.034 0.000 1.129 236 I CB 1.946 39.709 38.000 -0.395 0.000 1.288 236 I HN 0.434 nan 8.210 nan 0.000 0.444 237 F N 7.505 127.438 119.950 -0.028 0.000 2.443 237 F HA 0.643 5.170 4.527 0.001 0.000 0.335 237 F C -1.055 174.665 175.800 -0.134 0.000 1.104 237 F CA -0.717 57.206 58.000 -0.128 0.000 1.013 237 F CB 1.080 40.034 39.000 -0.077 0.000 1.136 237 F HN 0.183 nan 8.300 nan 0.000 0.470 238 L N 6.481 126.898 121.223 -1.343 0.000 2.301 238 L HA 0.383 4.724 4.340 0.001 0.000 0.278 238 L C 0.362 176.495 176.870 -1.229 0.000 1.022 238 L CA -0.741 53.572 54.840 -0.879 0.000 0.854 238 L CB 0.879 42.726 42.059 -0.353 0.000 1.226 238 L HN 0.734 nan 8.230 nan 0.000 0.429 239 S N 2.446 117.693 115.700 -0.756 0.000 2.606 239 S HA 0.191 4.661 4.470 0.001 0.000 0.257 239 S C 0.361 174.932 174.600 -0.049 0.000 1.327 239 S CA -0.659 57.381 58.200 -0.268 0.000 0.984 239 S CB 0.572 63.779 63.200 0.012 0.000 0.941 239 S HN 0.718 nan 8.310 nan 0.000 0.576 240 N N 0.485 119.193 118.700 0.013 0.000 2.327 240 N HA 0.601 5.342 4.740 0.001 0.000 0.257 240 N C 0.198 175.752 175.510 0.074 0.000 1.281 240 N CA -0.033 53.026 53.050 0.016 0.000 0.942 240 N CB 0.002 38.559 38.487 0.117 0.000 1.199 240 N HN 1.143 nan 8.380 nan 0.000 0.532 241 G N -1.710 107.112 108.800 0.038 0.000 2.340 241 G HA2 0.307 4.267 3.960 0.001 0.000 0.298 241 G HA3 0.307 4.267 3.960 0.001 0.000 0.298 241 G C -3.361 171.535 174.900 -0.006 0.000 1.498 241 G CA -0.887 44.231 45.100 0.031 0.000 0.847 241 G HN 0.535 nan 8.290 nan 0.000 0.594 242 P HA 0.554 nan 4.420 nan 0.000 0.276 242 P C 1.004 178.313 177.300 0.015 0.000 1.261 242 P CA 1.230 64.343 63.100 0.022 0.000 0.800 242 P CB 0.996 32.720 31.700 0.041 0.000 1.066 243 G N 0.323 109.170 108.800 0.078 0.000 2.697 243 G HA2 -0.197 3.764 3.960 0.001 0.000 0.240 243 G HA3 -0.197 3.764 3.960 0.001 0.000 0.240 243 G C -0.710 174.065 174.900 -0.210 0.000 1.346 243 G CA -0.177 44.956 45.100 0.053 0.000 0.887 243 G HN 0.696 nan 8.290 nan 0.000 0.569 244 D N 1.046 121.171 120.400 -0.458 0.000 2.351 244 D HA 0.396 5.037 4.640 0.001 0.000 0.251 244 D C -0.358 175.539 176.300 -0.671 0.000 1.137 244 D CA -1.394 51.970 54.000 -1.061 0.000 0.879 244 D CB 1.446 41.852 40.800 -0.658 0.000 1.181 244 D HN 0.067 nan 8.370 nan 0.000 0.448 245 P HA -0.008 nan 4.420 nan 0.000 0.224 245 P C 1.018 178.047 177.300 -0.452 0.000 1.157 245 P CA 0.561 63.353 63.100 -0.513 0.000 0.799 245 P CB 0.178 31.605 31.700 -0.456 0.000 0.809 246 A N 1.848 124.418 122.820 -0.416 0.000 1.903 246 A HA -0.150 4.171 4.320 0.001 0.000 0.219 246 A C -0.125 177.299 177.584 -0.267 0.000 1.191 246 A CA 2.314 54.169 52.037 -0.303 0.000 0.638 246 A CB -2.414 16.447 19.000 -0.233 0.000 0.823 246 A HN 0.251 nan 8.150 nan 0.000 0.451 247 P HA 0.054 nan 4.420 nan 0.000 0.237 247 P C -0.069 177.094 177.300 -0.228 0.000 1.178 247 P CA 0.332 63.321 63.100 -0.186 0.000 0.766 247 P CB -0.567 31.055 31.700 -0.129 0.000 0.876 248 C N 2.362 121.430 119.300 -0.386 0.000 3.424 248 C HA 0.046 4.506 4.460 0.001 0.000 0.577 248 C C 1.804 176.314 174.990 -0.800 0.000 1.086 248 C CA -0.481 58.108 59.018 -0.714 0.000 1.153 248 C CB -2.198 25.021 27.740 -0.868 0.000 1.411 248 C HN 0.373 nan 8.230 nan 0.000 0.636 249 D N 1.460 121.601 120.400 -0.430 0.000 2.133 249 D HA -0.308 4.332 4.640 0.001 0.000 0.192 249 D C 1.460 177.605 176.300 -0.259 0.000 1.001 249 D CA 2.046 55.888 54.000 -0.265 0.000 0.844 249 D CB -0.811 39.934 40.800 -0.091 0.000 0.944 249 D HN 0.684 nan 8.370 nan 0.000 0.447 250 Y N 0.032 120.280 120.300 -0.087 0.000 2.151 250 Y HA 0.016 4.566 4.550 0.001 0.000 0.284 250 Y C 2.706 178.550 175.900 -0.092 0.000 1.166 250 Y CA 1.043 59.106 58.100 -0.061 0.000 1.163 250 Y CB -1.066 37.391 38.460 -0.005 0.000 0.974 250 Y HN 0.115 nan 8.280 nan 0.000 0.511 251 A N 1.598 124.075 122.820 -0.571 0.000 1.854 251 A HA -0.056 4.264 4.320 0.001 0.000 0.214 251 A C 2.278 179.637 177.584 -0.375 0.000 1.192 251 A CA 1.712 53.495 52.037 -0.423 0.000 0.611 251 A CB -1.102 17.493 19.000 -0.675 0.000 0.832 251 A HN 0.549 nan 8.150 nan 0.000 0.442 252 I N -0.290 120.035 120.570 -0.408 0.000 2.208 252 I HA -0.258 3.913 4.170 0.001 0.000 0.245 252 I C 2.574 178.546 176.117 -0.242 0.000 1.097 252 I CA 1.782 62.897 61.300 -0.309 0.000 1.363 252 I CB -0.894 36.930 38.000 -0.293 0.000 1.051 252 I HN 0.252 nan 8.210 nan 0.000 0.413 253 T N 0.845 115.268 114.554 -0.217 0.000 2.674 253 T HA -0.166 4.184 4.350 0.001 0.000 0.265 253 T C 2.092 176.653 174.700 -0.232 0.000 1.039 253 T CA 1.674 63.668 62.100 -0.177 0.000 1.150 253 T CB -0.314 68.483 68.868 -0.119 0.000 0.864 253 T HN 0.503 nan 8.240 nan 0.000 0.427 254 A N 0.785 123.442 122.820 -0.271 0.000 1.933 254 A HA -0.024 4.296 4.320 0.001 0.000 0.218 254 A C 2.272 179.398 177.584 -0.763 0.000 1.175 254 A CA 1.254 53.004 52.037 -0.479 0.000 0.628 254 A CB -0.799 17.991 19.000 -0.350 0.000 0.814 254 A HN 0.531 nan 8.150 nan 0.000 0.444 255 I N -0.631 119.698 120.570 -0.401 0.000 2.226 255 I HA -0.318 3.852 4.170 0.001 0.000 0.245 255 I C 2.748 178.788 176.117 -0.129 0.000 1.100 255 I CA 1.501 62.720 61.300 -0.134 0.000 1.374 255 I CB -0.316 37.625 38.000 -0.097 0.000 1.057 255 I HN 0.423 nan 8.210 nan 0.000 0.413 256 Q N 0.259 119.950 119.800 -0.182 0.000 2.181 256 Q HA -0.270 4.071 4.340 0.001 0.000 0.205 256 Q C 2.150 178.080 176.000 -0.118 0.000 0.980 256 Q CA 1.525 57.252 55.803 -0.126 0.000 0.862 256 Q CB -0.005 28.655 28.738 -0.130 0.000 0.905 256 Q HN 0.276 nan 8.270 nan 0.000 0.429 257 K N -0.148 120.118 120.400 -0.224 0.000 2.025 257 K HA -0.100 4.220 4.320 0.001 0.000 0.207 257 K C 1.572 178.120 176.600 -0.087 0.000 1.049 257 K CA 1.124 57.286 56.287 -0.209 0.000 0.933 257 K CB -0.117 32.157 32.500 -0.377 0.000 0.714 257 K HN 0.062 nan 8.250 nan 0.000 0.438 258 F N 0.980 120.923 119.950 -0.012 0.000 2.126 258 F HA -0.134 4.393 4.527 0.001 0.000 0.299 258 F C 1.741 177.532 175.800 -0.014 0.000 1.096 258 F CA 0.955 58.951 58.000 -0.006 0.000 1.255 258 F CB -0.803 38.187 39.000 -0.016 0.000 0.997 258 F HN -0.036 nan 8.300 nan 0.000 0.479 259 L N -0.355 120.962 121.223 0.157 0.000 2.551 259 L HA -0.191 4.149 4.340 0.001 0.000 0.230 259 L C 1.769 178.674 176.870 0.058 0.000 1.163 259 L CA 1.102 55.991 54.840 0.081 0.000 0.826 259 L CB -0.555 41.523 42.059 0.032 0.000 0.943 259 L HN 0.253 nan 8.230 nan 0.000 0.452 260 E N -1.041 119.195 120.200 0.059 0.000 2.447 260 E HA -0.020 4.331 4.350 0.001 0.000 0.195 260 E C 1.044 177.684 176.600 0.067 0.000 1.028 260 E CA 0.311 56.739 56.400 0.047 0.000 0.876 260 E CB 0.408 30.125 29.700 0.028 0.000 0.885 260 E HN 0.459 nan 8.360 nan 0.000 0.500 261 T N -1.910 112.698 114.554 0.091 0.000 2.910 261 T HA 0.184 4.534 4.350 0.001 0.000 0.279 261 T C 0.407 175.150 174.700 0.072 0.000 0.989 261 T CA -0.771 61.386 62.100 0.096 0.000 0.968 261 T CB 1.316 70.257 68.868 0.122 0.000 1.135 261 T HN -0.304 nan 8.240 nan 0.000 0.562 262 D N 0.076 120.521 120.400 0.076 0.000 2.368 262 D HA 0.317 4.958 4.640 0.001 0.000 0.218 262 D C 0.279 176.474 176.300 -0.175 0.000 1.112 262 D CA -0.096 53.935 54.000 0.053 0.000 0.834 262 D CB -0.106 40.798 40.800 0.174 0.000 0.953 262 D HN 0.527 nan 8.370 nan 0.000 0.505 263 I N 2.630 123.040 120.570 -0.268 0.000 2.556 263 I HA 0.072 4.243 4.170 0.001 0.000 0.284 263 I C -2.051 173.867 176.117 -0.333 0.000 1.114 263 I CA -1.564 59.392 61.300 -0.573 0.000 1.418 263 I CB 0.665 38.454 38.000 -0.352 0.000 1.394 263 I HN -0.340 nan 8.210 nan 0.000 0.552 264 P HA 0.113 nan 4.420 nan 0.000 0.271 264 P C -0.845 176.515 177.300 0.101 0.000 1.220 264 P CA -0.016 63.044 63.100 -0.067 0.000 0.768 264 P CB 0.708 32.364 31.700 -0.073 0.000 0.848 265 V N 4.913 124.915 119.914 0.147 0.000 2.531 265 V HA 0.506 4.626 4.120 0.001 0.000 0.301 265 V C -0.719 175.378 176.094 0.006 0.000 1.034 265 V CA -0.439 61.903 62.300 0.070 0.000 0.865 265 V CB 1.437 33.247 31.823 -0.021 0.000 0.995 265 V HN 0.388 nan 8.190 nan 0.000 0.424 266 F N 3.376 123.043 119.950 -0.472 0.000 2.547 266 F HA 0.895 5.422 4.527 0.001 0.000 0.316 266 F C 0.165 175.511 175.800 -0.758 0.000 1.121 266 F CA -1.093 56.333 58.000 -0.956 0.000 0.911 266 F CB 1.956 39.919 39.000 -1.729 0.000 1.179 266 F HN 0.583 nan 8.300 nan 0.000 0.443 267 G N 6.082 114.269 108.800 -1.021 0.000 2.542 267 G HA2 0.685 4.646 3.960 0.001 0.000 0.311 267 G HA3 0.685 4.646 3.960 0.001 0.000 0.311 267 G C -1.567 172.715 174.900 -1.030 0.000 1.298 267 G CA -0.631 43.846 45.100 -1.039 0.000 0.973 267 G HN 0.716 nan 8.290 nan 0.000 0.487 271 G N -0.682 107.952 108.800 -0.278 0.000 2.422 271 G HA2 -0.340 3.620 3.960 0.001 0.000 0.218 271 G HA3 -0.340 3.620 3.960 0.001 0.000 0.218 271 G C 1.284 175.985 174.900 -0.331 0.000 1.146 271 G CA 1.400 46.303 45.100 -0.328 0.000 0.769 271 G HN 0.665 nan 8.290 nan 0.000 0.547 272 H N 0.262 119.089 119.070 -0.405 0.000 2.353 272 H HA -0.001 4.555 4.556 0.001 0.000 0.300 272 H C 2.586 177.738 175.328 -0.293 0.000 1.090 272 H CA 2.100 57.941 56.048 -0.345 0.000 1.327 272 H CB -0.165 29.385 29.762 -0.353 0.000 1.383 272 H HN 0.405 nan 8.280 nan 0.000 0.508 273 Q N 0.049 119.656 119.800 -0.321 0.000 2.050 273 Q HA -0.109 4.231 4.340 0.001 0.000 0.202 273 Q C 2.541 178.311 176.000 -0.384 0.000 0.980 273 Q CA 1.737 57.319 55.803 -0.367 0.000 0.840 273 Q CB -0.022 28.558 28.738 -0.263 0.000 0.898 273 Q HN 0.495 nan 8.270 nan 0.000 0.424 274 L N 0.173 121.157 121.223 -0.397 0.000 2.046 274 L HA -0.193 4.147 4.340 0.001 0.000 0.208 274 L C 2.428 179.099 176.870 -0.332 0.000 1.077 274 L CA 0.664 55.259 54.840 -0.408 0.000 0.747 274 L CB -0.546 41.207 42.059 -0.511 0.000 0.896 274 L HN 0.314 nan 8.230 nan 0.000 0.432 275 L N 0.413 121.446 121.223 -0.316 0.000 2.046 275 L HA -0.136 4.204 4.340 0.001 0.000 0.208 275 L C 2.617 179.341 176.870 -0.243 0.000 1.077 275 L CA 2.029 56.719 54.840 -0.251 0.000 0.747 275 L CB -0.689 41.229 42.059 -0.235 0.000 0.896 275 L HN 0.112 nan 8.230 nan 0.000 0.432 276 A N -0.256 122.371 122.820 -0.320 0.000 1.902 276 A HA -0.148 4.172 4.320 0.001 0.000 0.217 276 A C 2.256 179.712 177.584 -0.214 0.000 1.181 276 A CA 2.013 53.885 52.037 -0.276 0.000 0.623 276 A CB -0.984 17.799 19.000 -0.362 0.000 0.818 276 A HN 0.528 nan 8.150 nan 0.000 0.443 277 L N -0.700 120.380 121.223 -0.237 0.000 2.046 277 L HA -0.201 4.139 4.340 0.001 0.000 0.208 277 L C 2.983 179.746 176.870 -0.179 0.000 1.077 277 L CA 1.175 55.891 54.840 -0.206 0.000 0.747 277 L CB -0.462 41.452 42.059 -0.243 0.000 0.896 277 L HN 0.417 nan 8.230 nan 0.000 0.432 278 A N -1.245 121.462 122.820 -0.190 0.000 2.121 278 A HA -0.098 4.222 4.320 0.001 0.000 0.218 278 A C 2.237 179.751 177.584 -0.118 0.000 1.154 278 A CA 1.575 53.517 52.037 -0.158 0.000 0.679 278 A CB -0.308 18.593 19.000 -0.164 0.000 0.795 278 A HN 0.388 nan 8.150 nan 0.000 0.458 279 S N -1.675 113.957 115.700 -0.114 0.000 2.556 279 S HA 0.398 4.869 4.470 0.001 0.000 0.216 279 S C 1.240 175.796 174.600 -0.073 0.000 0.970 279 S CA 0.591 58.743 58.200 -0.080 0.000 0.912 279 S CB 0.340 63.498 63.200 -0.071 0.000 0.790 279 S HN 1.536 nan 8.310 nan 0.000 0.504 280 G N 1.133 109.879 108.800 -0.089 0.000 2.144 280 G HA2 -0.107 3.854 3.960 0.001 0.000 0.218 280 G HA3 -0.107 3.854 3.960 0.001 0.000 0.218 280 G C 0.150 175.003 174.900 -0.079 0.000 0.988 280 G CA -0.127 44.926 45.100 -0.078 0.000 0.659 280 G HN 0.781 nan 8.290 nan 0.000 0.522 281 A N -0.337 122.425 122.820 -0.097 0.000 2.239 281 A HA 0.844 5.164 4.320 0.001 0.000 0.303 281 A C 0.449 177.973 177.584 -0.100 0.000 1.114 281 A CA -0.209 51.772 52.037 -0.092 0.000 0.871 281 A CB 0.766 19.703 19.000 -0.104 0.000 1.201 281 A HN 0.318 nan 8.150 nan 0.000 0.506 282 K N 0.111 120.460 120.400 -0.085 0.000 2.267 282 K HA 0.574 4.894 4.320 0.001 0.000 0.246 282 K C -0.785 175.767 176.600 -0.079 0.000 0.954 282 K CA -0.421 55.818 56.287 -0.080 0.000 0.824 282 K CB 1.847 34.315 32.500 -0.054 0.000 1.167 282 K HN 0.835 nan 8.250 nan 0.000 0.431 283 T N -2.125 112.385 114.554 -0.073 0.000 2.888 283 T HA 0.637 4.987 4.350 0.001 0.000 0.284 283 T C 0.040 174.758 174.700 0.030 0.000 1.017 283 T CA -0.776 61.301 62.100 -0.038 0.000 1.022 283 T CB 1.289 70.110 68.868 -0.078 0.000 1.013 283 T HN 0.412 nan 8.240 nan 0.000 0.465 284 V N -0.743 119.223 119.914 0.086 0.000 3.040 284 V HA 0.726 4.846 4.120 0.001 0.000 0.312 284 V C -0.515 175.668 176.094 0.149 0.000 1.115 284 V CA -1.419 60.939 62.300 0.096 0.000 0.998 284 V CB 1.809 33.643 31.823 0.018 0.000 1.042 284 V HN 1.103 nan 8.190 nan 0.000 0.433 285 K N 2.488 122.905 120.400 0.030 0.000 2.227 285 K HA 0.591 4.911 4.320 0.001 0.000 0.280 285 K C -0.198 176.240 176.600 -0.270 0.000 1.041 285 K CA -0.545 55.543 56.287 -0.331 0.000 0.905 285 K CB 1.101 33.392 32.500 -0.348 0.000 1.068 285 K HN 0.805 nan 8.250 nan 0.000 0.470 286 M N 3.187 122.584 119.600 -0.338 0.000 2.226 286 M HA 0.035 4.515 4.480 0.001 0.000 0.324 286 M C 1.527 177.692 176.300 -0.225 0.000 1.112 286 M CA 0.245 55.379 55.300 -0.276 0.000 1.176 286 M CB 0.674 33.047 32.600 -0.379 0.000 1.430 286 M HN 0.631 nan 8.290 nan 0.000 0.462 287 K N 1.294 121.580 120.400 -0.190 0.000 2.020 287 K HA -0.201 4.119 4.320 0.001 0.000 0.212 287 K C 1.101 177.726 176.600 0.042 0.000 1.050 287 K CA 2.360 58.607 56.287 -0.068 0.000 0.929 287 K CB 0.021 32.504 32.500 -0.029 0.000 0.714 287 K HN 0.724 nan 8.250 nan 0.000 0.443 288 F N -2.630 117.299 119.950 -0.035 0.000 2.880 288 F HA 0.439 4.966 4.527 0.001 0.000 0.346 288 F C 0.445 176.212 175.800 -0.055 0.000 1.054 288 F CA 0.115 58.106 58.000 -0.015 0.000 1.151 288 F CB 0.278 39.327 39.000 0.080 0.000 1.066 288 F HN 0.192 nan 8.300 nan 0.000 0.566 289 G N 1.166 109.741 108.800 -0.375 0.000 2.725 289 G HA2 -0.155 3.805 3.960 0.001 0.000 0.220 289 G HA3 -0.155 3.805 3.960 0.001 0.000 0.220 289 G C -1.240 173.362 174.900 -0.498 0.000 1.357 289 G CA -0.322 44.452 45.100 -0.544 0.000 0.866 289 G HN 0.816 nan 8.290 nan 0.000 0.548 290 H N -0.003 118.534 119.070 -0.889 0.000 2.589 290 H HA 0.607 5.164 4.556 0.001 0.000 0.335 290 H C -0.876 173.991 175.328 -0.768 0.000 1.019 290 H CA -0.666 55.030 56.048 -0.586 0.000 1.213 290 H CB 1.467 30.871 29.762 -0.597 0.000 1.472 290 H HN 0.633 nan 8.280 nan 0.000 0.508 291 H N 2.145 121.265 119.070 0.083 0.000 3.021 291 H HA 0.513 5.069 4.556 0.001 0.000 0.293 291 H C -0.077 175.338 175.328 0.145 0.000 1.244 291 H CA -0.600 55.500 56.048 0.086 0.000 1.596 291 H CB 1.416 31.209 29.762 0.052 0.000 1.720 291 H HN 0.944 nan 8.280 nan 0.000 0.537 292 G N -0.240 108.713 108.800 0.255 0.000 2.430 292 G HA2 0.437 4.398 3.960 0.001 0.000 0.300 292 G HA3 0.437 4.398 3.960 0.001 0.000 0.300 292 G C -0.235 174.794 174.900 0.214 0.000 1.330 292 G CA -0.300 44.952 45.100 0.253 0.000 0.813 292 G HN 0.545 nan 8.290 nan 0.000 0.487 293 G N -0.629 108.289 108.800 0.196 0.000 3.863 293 G HA2 0.372 4.333 3.960 0.001 0.000 0.290 293 G HA3 0.372 4.333 3.960 0.001 0.000 0.290 293 G C 0.332 175.323 174.900 0.152 0.000 1.018 293 G CA 0.543 45.739 45.100 0.160 0.000 0.824 293 G HN 0.963 nan 8.290 nan 0.000 0.507 294 N N -0.901 117.913 118.700 0.190 0.000 2.377 294 N HA 0.090 4.831 4.740 0.001 0.000 0.259 294 N C -0.690 174.873 175.510 0.088 0.000 1.332 294 N CA -0.647 52.494 53.050 0.152 0.000 0.877 294 N CB -0.632 37.970 38.487 0.192 0.000 1.299 294 N HN 0.315 nan 8.380 nan 0.000 0.501 295 H N 2.240 121.273 119.070 -0.061 0.000 2.782 295 H HA 0.316 4.873 4.556 0.001 0.000 0.285 295 H C -2.283 172.791 175.328 -0.423 0.000 1.093 295 H CA -1.617 54.193 56.048 -0.396 0.000 1.410 295 H CB 1.144 30.805 29.762 -0.168 0.000 1.439 295 H HN 0.100 nan 8.280 nan 0.000 0.469 296 P HA 0.011 nan 4.420 nan 0.000 0.276 296 P C -0.971 176.280 177.300 -0.082 0.000 1.235 296 P CA -0.116 62.816 63.100 -0.281 0.000 0.772 296 P CB 1.512 32.995 31.700 -0.363 0.000 0.871 297 V N 4.431 124.378 119.914 0.055 0.000 2.525 297 V HA 0.306 4.427 4.120 0.001 0.000 0.299 297 V C 0.342 176.539 176.094 0.171 0.000 1.034 297 V CA -0.744 61.644 62.300 0.147 0.000 0.863 297 V CB 1.916 33.888 31.823 0.249 0.000 0.999 297 V HN 0.466 nan 8.190 nan 0.000 0.423 298 K N 2.975 123.464 120.400 0.149 0.000 2.172 298 K HA 0.305 4.625 4.320 0.001 0.000 0.276 298 K C -0.441 176.253 176.600 0.156 0.000 1.013 298 K CA -0.504 55.859 56.287 0.126 0.000 0.913 298 K CB 0.948 33.487 32.500 0.066 0.000 1.055 298 K HN 0.744 nan 8.250 nan 0.000 0.461 299 D N 5.062 125.518 120.400 0.094 0.000 2.468 299 D HA -0.016 4.625 4.640 0.001 0.000 0.218 299 D C 1.202 177.429 176.300 -0.121 0.000 1.155 299 D CA -0.498 53.429 54.000 -0.121 0.000 0.924 299 D CB 0.818 41.597 40.800 -0.035 0.000 1.029 299 D HN 0.390 nan 8.370 nan 0.000 0.515 300 V N 1.941 121.776 119.914 -0.132 0.000 2.453 300 V HA -0.232 3.889 4.120 0.001 0.000 0.252 300 V C 1.824 177.872 176.094 -0.078 0.000 1.068 300 V CA 1.643 63.899 62.300 -0.074 0.000 1.070 300 V CB -0.664 31.127 31.823 -0.053 0.000 0.664 300 V HN 0.390 nan 8.190 nan 0.000 0.461 301 E N 0.581 120.710 120.200 -0.118 0.000 2.047 301 E HA -0.143 4.207 4.350 0.001 0.000 0.191 301 E C 2.229 178.781 176.600 -0.080 0.000 0.987 301 E CA 1.734 58.072 56.400 -0.103 0.000 0.799 301 E CB -0.068 29.548 29.700 -0.140 0.000 0.752 301 E HN 0.688 nan 8.360 nan 0.000 0.449 302 K N -0.279 120.073 120.400 -0.080 0.000 2.352 302 K HA 0.076 4.397 4.320 0.001 0.000 0.194 302 K C 0.284 176.864 176.600 -0.033 0.000 1.038 302 K CA 0.400 56.656 56.287 -0.052 0.000 1.023 302 K CB 0.370 32.840 32.500 -0.049 0.000 0.840 302 K HN -0.014 nan 8.250 nan 0.000 0.519 303 N N 0.553 119.234 118.700 -0.032 0.000 2.756 303 N HA -0.145 4.595 4.740 0.001 0.000 0.248 303 N C -1.094 174.416 175.510 -0.000 0.000 1.062 303 N CA 0.735 53.777 53.050 -0.013 0.000 0.696 303 N CB -1.278 37.202 38.487 -0.011 0.000 0.946 303 N HN 0.126 nan 8.380 nan 0.000 0.548 304 V N -2.970 116.948 119.914 0.006 0.000 3.001 304 V HA 0.910 5.031 4.120 0.001 0.000 0.314 304 V C 0.254 176.371 176.094 0.039 0.000 1.099 304 V CA -0.866 61.446 62.300 0.019 0.000 0.989 304 V CB 2.369 34.202 31.823 0.017 0.000 1.040 304 V HN -0.040 nan 8.190 nan 0.000 0.434 305 V N 4.805 124.742 119.914 0.037 0.000 2.513 305 V HA 0.624 4.745 4.120 0.001 0.000 0.299 305 V C 0.155 176.279 176.094 0.050 0.000 1.035 305 V CA -0.445 61.882 62.300 0.045 0.000 0.889 305 V CB 1.596 33.433 31.823 0.024 0.000 0.988 305 V HN 1.044 nan 8.190 nan 0.000 0.440 306 M N 4.501 124.143 119.600 0.070 0.000 2.465 306 M HA 0.676 5.157 4.480 0.001 0.000 0.316 306 M C -1.350 174.987 176.300 0.062 0.000 1.121 306 M CA -0.800 54.539 55.300 0.066 0.000 0.934 306 M CB 2.193 34.831 32.600 0.063 0.000 1.692 306 M HN 0.188 nan 8.290 nan 0.000 0.444 307 I N 3.209 123.811 120.570 0.054 0.000 2.352 307 I HA 0.375 4.546 4.170 0.001 0.000 0.290 307 I C 0.510 176.683 176.117 0.094 0.000 1.036 307 I CA 0.206 61.535 61.300 0.048 0.000 1.336 307 I CB 0.865 38.889 38.000 0.038 0.000 1.407 307 I HN 0.919 nan 8.210 nan 0.000 0.497 308 T N 2.594 117.220 114.554 0.119 0.000 2.916 308 T HA 0.831 5.182 4.350 0.001 0.000 0.292 308 T C -0.348 174.458 174.700 0.176 0.000 1.064 308 T CA -0.960 61.243 62.100 0.172 0.000 1.011 308 T CB 2.124 71.132 68.868 0.232 0.000 1.152 308 T HN 0.626 nan 8.240 nan 0.000 0.510 309 A N 2.296 125.237 122.820 0.201 0.000 2.276 309 A HA 0.629 4.950 4.320 0.001 0.000 0.300 309 A C -0.011 177.704 177.584 0.218 0.000 1.235 309 A CA -0.612 51.539 52.037 0.190 0.000 0.867 309 A CB 0.213 19.328 19.000 0.192 0.000 1.137 309 A HN 0.679 nan 8.150 nan 0.000 0.527 310 Q N 1.352 121.251 119.800 0.166 0.000 2.365 310 Q HA 0.435 4.776 4.340 0.001 0.000 0.269 310 Q C -1.169 174.896 176.000 0.108 0.000 1.061 310 Q CA -0.550 55.351 55.803 0.164 0.000 0.816 310 Q CB 2.178 30.925 28.738 0.015 0.000 1.325 310 Q HN 0.768 nan 8.270 nan 0.000 0.446 311 N N 1.699 120.482 118.700 0.138 0.000 2.824 311 N HA 0.119 4.859 4.740 0.001 0.000 0.224 311 N C -2.085 173.426 175.510 0.000 0.000 1.418 311 N CA -0.226 52.808 53.050 -0.027 0.000 0.743 311 N CB 0.189 38.559 38.487 -0.196 0.000 1.395 311 N HN 0.743 nan 8.380 nan 0.000 0.548 312 H N -1.997 116.861 119.070 -0.353 0.000 3.046 312 H HA 0.628 5.185 4.556 0.001 0.000 0.363 312 H C 0.226 175.359 175.328 -0.324 0.000 1.203 312 H CA -1.016 54.891 56.048 -0.236 0.000 1.169 312 H CB 1.329 30.987 29.762 -0.173 0.000 1.851 312 H HN 0.079 nan 8.280 nan 0.000 0.546 313 G N 1.105 109.850 108.800 -0.091 0.000 3.079 313 G HA2 0.228 4.189 3.960 0.001 0.000 0.233 313 G HA3 0.228 4.189 3.960 0.001 0.000 0.233 313 G C -0.748 173.869 174.900 -0.473 0.000 1.062 313 G CA -0.050 44.889 45.100 -0.267 0.000 0.809 313 G HN 0.353 nan 8.290 nan 0.000 0.535 314 F N 0.263 120.206 119.950 -0.011 0.000 2.579 314 F HA 0.800 5.328 4.527 0.001 0.000 0.324 314 F C 0.322 176.127 175.800 0.007 0.000 1.058 314 F CA -0.925 57.059 58.000 -0.026 0.000 0.944 314 F CB 2.435 41.404 39.000 -0.052 0.000 1.245 314 F HN 0.092 nan 8.300 nan 0.000 0.477 315 A N 0.537 123.442 122.820 0.142 0.000 2.569 315 A HA 0.800 5.121 4.320 0.001 0.000 0.290 315 A C -1.764 175.828 177.584 0.014 0.000 1.136 315 A CA -0.774 51.289 52.037 0.044 0.000 0.710 315 A CB 1.253 20.257 19.000 0.007 0.000 1.303 315 A HN 0.448 nan 8.150 nan 0.000 0.413 316 V N 1.833 121.744 119.914 -0.006 0.000 2.465 316 V HA 0.255 4.376 4.120 0.001 0.000 0.279 316 V C -0.158 175.923 176.094 -0.021 0.000 1.045 316 V CA -0.270 62.000 62.300 -0.051 0.000 0.938 316 V CB 1.334 33.081 31.823 -0.128 0.000 0.986 316 V HN 0.870 nan 8.190 nan 0.000 0.467 317 D N 3.386 123.768 120.400 -0.030 0.000 2.339 317 D HA 0.023 4.663 4.640 0.001 0.000 0.256 317 D C 1.054 177.346 176.300 -0.013 0.000 1.214 317 D CA 0.129 54.120 54.000 -0.016 0.000 0.877 317 D CB 1.178 41.967 40.800 -0.019 0.000 1.111 317 D HN 0.754 nan 8.370 nan 0.000 0.478 318 E N 3.015 123.216 120.200 0.002 0.000 2.208 318 E HA -0.144 4.206 4.350 0.001 0.000 0.193 318 E C 1.162 177.764 176.600 0.003 0.000 0.988 318 E CA 0.612 57.017 56.400 0.008 0.000 0.828 318 E CB 0.098 29.811 29.700 0.022 0.000 0.763 318 E HN 0.516 nan 8.360 nan 0.000 0.478 319 A N 0.618 123.438 122.820 -0.000 0.000 2.238 319 A HA -0.014 4.307 4.320 0.001 0.000 0.208 319 A C 1.716 179.295 177.584 -0.008 0.000 1.177 319 A CA 1.072 53.108 52.037 -0.002 0.000 0.804 319 A CB -0.284 18.716 19.000 0.000 0.000 0.823 319 A HN 0.316 nan 8.150 nan 0.000 0.482 320 T N -3.306 111.239 114.554 -0.015 0.000 3.200 320 T HA 0.430 4.780 4.350 0.001 0.000 0.284 320 T C -0.081 174.603 174.700 -0.027 0.000 1.009 320 T CA -0.388 61.699 62.100 -0.022 0.000 0.907 320 T CB -0.474 68.376 68.868 -0.030 0.000 1.120 320 T HN -0.018 nan 8.240 nan 0.000 0.534 321 L N 4.097 125.309 121.223 -0.019 0.000 2.360 321 L HA 0.443 4.783 4.340 0.001 0.000 0.276 321 L C -2.010 174.851 176.870 -0.016 0.000 1.121 321 L CA -1.816 53.012 54.840 -0.020 0.000 0.845 321 L CB 0.439 42.494 42.059 -0.007 0.000 1.143 321 L HN 0.118 nan 8.230 nan 0.000 0.452 322 P HA 0.064 nan 4.420 nan 0.000 0.269 322 P C 0.017 177.316 177.300 -0.003 0.000 1.209 322 P CA -0.240 62.851 63.100 -0.015 0.000 0.776 322 P CB 0.696 32.383 31.700 -0.021 0.000 0.876 323 A N 3.112 125.932 122.820 -0.001 0.000 2.131 323 A HA -0.200 4.120 4.320 0.001 0.000 0.220 323 A C 1.578 179.169 177.584 0.013 0.000 1.158 323 A CA 1.570 53.610 52.037 0.005 0.000 0.665 323 A CB -1.369 17.632 19.000 0.003 0.000 0.795 323 A HN 0.806 nan 8.150 nan 0.000 0.460 324 N N -1.161 117.547 118.700 0.014 0.000 2.461 324 N HA 0.151 4.891 4.740 0.001 0.000 0.188 324 N C -0.062 175.474 175.510 0.044 0.000 1.134 324 N CA -0.114 52.952 53.050 0.027 0.000 0.878 324 N CB 0.024 38.525 38.487 0.023 0.000 0.972 324 N HN 0.381 nan 8.380 nan 0.000 0.456 325 L N 2.384 123.627 121.223 0.034 0.000 2.318 325 L HA 0.352 4.692 4.340 0.001 0.000 0.277 325 L C -0.252 176.652 176.870 0.057 0.000 1.008 325 L CA -0.985 53.884 54.840 0.049 0.000 0.846 325 L CB 1.266 43.335 42.059 0.017 0.000 1.220 325 L HN 0.254 nan 8.230 nan 0.000 0.423 326 R N 3.205 123.757 120.500 0.088 0.000 2.368 326 R HA 0.557 4.897 4.340 0.001 0.000 0.302 326 R C -1.086 175.273 176.300 0.098 0.000 1.002 326 R CA -0.701 55.442 56.100 0.072 0.000 0.929 326 R CB 1.497 31.823 30.300 0.043 0.000 1.073 326 R HN 0.236 nan 8.270 nan 0.000 0.464 327 V N 3.823 123.779 119.914 0.071 0.000 2.470 327 V HA 0.030 4.151 4.120 0.001 0.000 0.276 327 V C 1.344 177.478 176.094 0.066 0.000 1.040 327 V CA 0.451 62.802 62.300 0.085 0.000 1.008 327 V CB 1.000 32.858 31.823 0.058 0.000 0.990 327 V HN 1.114 nan 8.190 nan 0.000 0.477 328 T N 0.897 115.519 114.554 0.114 0.000 3.000 328 T HA 0.223 4.573 4.350 0.001 0.000 0.248 328 T C 0.386 174.902 174.700 -0.307 0.000 1.034 328 T CA 0.237 62.318 62.100 -0.031 0.000 1.060 328 T CB 0.101 69.046 68.868 0.129 0.000 0.983 328 T HN 0.679 nan 8.240 nan 0.000 0.482 329 H N -0.196 118.953 119.070 0.132 0.000 3.046 329 H HA 0.744 5.300 4.556 0.001 0.000 0.363 329 H C -1.215 174.158 175.328 0.074 0.000 1.203 329 H CA -0.856 55.273 56.048 0.135 0.000 1.169 329 H CB 1.867 31.789 29.762 0.267 0.000 1.851 329 H HN 0.074 nan 8.280 nan 0.000 0.546 330 K N 0.431 120.945 120.400 0.190 0.000 2.482 330 K HA 0.525 4.846 4.320 0.001 0.000 0.257 330 K C -0.720 175.952 176.600 0.121 0.000 0.969 330 K CA -1.009 55.349 56.287 0.120 0.000 0.842 330 K CB 2.710 35.263 32.500 0.089 0.000 1.359 330 K HN 0.452 nan 8.250 nan 0.000 0.441 331 S N 1.381 117.156 115.700 0.124 0.000 2.523 331 S HA 0.145 4.616 4.470 0.001 0.000 0.275 331 S C 0.579 175.248 174.600 0.116 0.000 1.281 331 S CA -0.491 57.809 58.200 0.166 0.000 1.050 331 S CB 0.377 63.774 63.200 0.329 0.000 0.937 331 S HN 0.504 nan 8.310 nan 0.000 0.492 332 L N 5.287 126.529 121.223 0.031 0.000 2.509 332 L HA 0.312 4.652 4.340 0.001 0.000 0.222 332 L C 1.270 178.188 176.870 0.080 0.000 1.123 332 L CA 0.945 55.795 54.840 0.017 0.000 0.856 332 L CB -0.818 41.217 42.059 -0.039 0.000 0.985 332 L HN 0.696 nan 8.230 nan 0.000 0.456 333 F N 0.407 120.299 119.950 -0.098 0.000 2.179 333 F HA -0.045 4.482 4.527 0.001 0.000 0.292 333 F C 1.754 177.532 175.800 -0.036 0.000 1.089 333 F CA 1.176 59.075 58.000 -0.168 0.000 1.295 333 F CB -0.372 38.334 39.000 -0.490 0.000 1.041 333 F HN 0.334 nan 8.300 nan 0.000 0.487 334 D N -2.936 117.606 120.400 0.238 0.000 2.539 334 D HA 0.222 4.862 4.640 0.001 0.000 0.232 334 D C 1.450 177.837 176.300 0.146 0.000 1.256 334 D CA 0.579 54.687 54.000 0.179 0.000 0.810 334 D CB -0.209 40.703 40.800 0.186 0.000 1.090 334 D HN 0.259 nan 8.370 nan 0.000 0.519 335 G N 0.877 109.762 108.800 0.142 0.000 2.166 335 G HA2 -0.307 3.653 3.960 0.001 0.000 0.260 335 G HA3 -0.307 3.653 3.960 0.001 0.000 0.260 335 G C 0.565 175.529 174.900 0.107 0.000 0.986 335 G CA 0.880 46.044 45.100 0.107 0.000 0.683 335 G HN 0.822 nan 8.290 nan 0.000 0.527 336 T N -1.708 112.935 114.554 0.148 0.000 2.868 336 T HA 0.578 4.928 4.350 0.001 0.000 0.292 336 T C 0.613 175.367 174.700 0.090 0.000 1.028 336 T CA -0.486 61.687 62.100 0.120 0.000 1.059 336 T CB 2.113 71.062 68.868 0.135 0.000 0.991 336 T HN 0.898 nan 8.240 nan 0.000 0.531 337 L N 2.099 123.354 121.223 0.053 0.000 2.455 337 L HA 0.202 4.543 4.340 0.001 0.000 0.272 337 L C 1.045 177.883 176.870 -0.054 0.000 1.174 337 L CA 0.665 55.528 54.840 0.039 0.000 0.869 337 L CB 0.268 42.365 42.059 0.064 0.000 1.130 337 L HN 0.715 nan 8.230 nan 0.000 0.474 338 Q N 3.483 123.229 119.800 -0.089 0.000 2.210 338 Q HA 0.395 4.736 4.340 0.001 0.000 0.252 338 Q C 0.119 175.849 176.000 -0.449 0.000 0.811 338 Q CA 0.540 56.108 55.803 -0.392 0.000 0.953 338 Q CB 1.514 30.056 28.738 -0.326 0.000 1.136 338 Q HN 0.813 nan 8.270 nan 0.000 0.491 339 G N 1.299 110.130 108.800 0.052 0.000 2.742 339 G HA2 0.656 4.616 3.960 0.001 0.000 0.296 339 G HA3 0.656 4.616 3.960 0.001 0.000 0.296 339 G C -1.122 174.003 174.900 0.376 0.000 1.436 339 G CA -0.530 44.768 45.100 0.330 0.000 0.928 339 G HN 0.093 nan 8.290 nan 0.000 0.520 340 I N -1.385 119.423 120.570 0.397 0.000 2.918 340 I HA 0.708 4.879 4.170 0.001 0.000 0.301 340 I C -1.894 174.432 176.117 0.349 0.000 1.312 340 I CA -1.150 60.327 61.300 0.295 0.000 1.007 340 I CB 2.940 41.045 38.000 0.175 0.000 1.281 340 I HN 0.570 nan 8.210 nan 0.000 0.440 341 H N 3.298 122.486 119.070 0.197 0.000 2.771 341 H HA 0.499 5.055 4.556 0.001 0.000 0.361 341 H C -1.156 174.250 175.328 0.130 0.000 1.108 341 H CA -0.734 55.443 56.048 0.215 0.000 1.201 341 H CB 2.561 32.428 29.762 0.174 0.000 1.681 341 H HN 0.568 nan 8.280 nan 0.000 0.534 342 R N 2.017 122.726 120.500 0.348 0.000 2.401 342 R HA 0.033 4.373 4.340 0.001 0.000 0.299 342 R C 1.193 177.669 176.300 0.295 0.000 1.064 342 R CA 0.387 56.631 56.100 0.241 0.000 1.000 342 R CB 0.467 30.859 30.300 0.153 0.000 0.973 342 R HN 0.811 nan 8.270 nan 0.000 0.438 343 T N -1.955 112.690 114.554 0.153 0.000 3.035 343 T HA -0.106 4.245 4.350 0.001 0.000 0.268 343 T C 0.812 175.556 174.700 0.073 0.000 1.109 343 T CA 1.166 63.316 62.100 0.083 0.000 1.119 343 T CB 0.065 68.960 68.868 0.045 0.000 0.900 343 T HN 0.600 nan 8.240 nan 0.000 0.503 344 D N -0.659 119.794 120.400 0.089 0.000 2.469 344 D HA 0.199 4.839 4.640 0.001 0.000 0.213 344 D C 0.365 176.718 176.300 0.088 0.000 1.135 344 D CA -0.269 53.774 54.000 0.072 0.000 0.834 344 D CB 0.407 41.239 40.800 0.052 0.000 1.009 344 D HN 0.199 nan 8.370 nan 0.000 0.507 345 K N 0.870 121.345 120.400 0.126 0.000 2.527 345 K HA 0.307 4.628 4.320 0.001 0.000 0.260 345 K C -2.851 173.852 176.600 0.172 0.000 0.937 345 K CA -1.637 54.722 56.287 0.120 0.000 0.826 345 K CB 2.801 35.354 32.500 0.088 0.000 1.359 345 K HN -0.262 nan 8.250 nan 0.000 0.434 346 P HA 0.088 nan 4.420 nan 0.000 0.237 346 P C -1.089 176.297 177.300 0.142 0.000 1.701 346 P CA 0.060 63.256 63.100 0.160 0.000 0.955 346 P CB -0.293 31.452 31.700 0.075 0.000 1.937 347 A N 2.226 125.110 122.820 0.106 0.000 2.381 347 A HA 0.749 5.070 4.320 0.001 0.000 0.299 347 A C -0.864 176.694 177.584 -0.043 0.000 1.049 347 A CA -0.661 51.413 52.037 0.062 0.000 0.715 347 A CB 1.104 20.128 19.000 0.040 0.000 1.222 347 A HN 0.308 nan 8.150 nan 0.000 0.428 348 F N 0.814 120.623 119.950 -0.235 0.000 2.643 348 F HA 0.894 5.422 4.527 0.001 0.000 0.314 348 F C -0.320 175.549 175.800 0.114 0.000 1.096 348 F CA -0.373 57.526 58.000 -0.168 0.000 0.953 348 F CB 1.788 40.580 39.000 -0.347 0.000 1.345 348 F HN 0.859 nan 8.300 nan 0.000 0.468 349 S N 1.250 116.974 115.700 0.041 0.000 2.547 349 S HA 0.714 5.185 4.470 0.001 0.000 0.270 349 S C -2.095 172.634 174.600 0.216 0.000 1.150 349 S CA -0.664 57.523 58.200 -0.021 0.000 0.850 349 S CB 1.943 65.097 63.200 -0.076 0.000 1.118 349 S HN 0.967 nan 8.310 nan 0.000 0.461 350 F N 1.747 121.575 119.950 -0.203 0.000 2.507 350 F HA 0.598 5.126 4.527 0.001 0.000 0.325 350 F C 1.131 176.534 175.800 -0.661 0.000 1.116 350 F CA -0.830 56.937 58.000 -0.388 0.000 0.930 350 F CB 2.499 41.335 39.000 -0.274 0.000 1.146 350 F HN 0.820 nan 8.300 nan 0.000 0.447 351 Q N 3.374 122.327 119.800 -1.412 0.000 2.172 351 Q HA 0.191 4.531 4.340 0.001 0.000 0.200 351 Q C 0.965 176.391 176.000 -0.955 0.000 0.964 351 Q CA 1.330 56.367 55.803 -1.276 0.000 0.855 351 Q CB -0.288 27.667 28.738 -1.304 0.000 0.918 351 Q HN 0.848 nan 8.270 nan 0.000 0.444 352 G N -1.080 107.082 108.800 -1.063 0.000 2.509 352 G HA2 0.160 4.120 3.960 0.001 0.000 0.269 352 G HA3 0.160 4.120 3.960 0.001 0.000 0.269 352 G C -0.853 173.911 174.900 -0.225 0.000 1.416 352 G CA -0.516 44.367 45.100 -0.362 0.000 1.052 352 G HN 0.414 nan 8.290 nan 0.000 0.542 353 H N 0.460 119.633 119.070 0.172 0.000 2.632 353 H HA 0.213 4.769 4.556 0.001 0.000 0.258 353 H C -1.665 173.779 175.328 0.195 0.000 1.278 353 H CA -1.298 54.844 56.048 0.157 0.000 1.352 353 H CB 1.919 31.748 29.762 0.112 0.000 1.418 353 H HN 0.191 nan 8.280 nan 0.000 0.513 354 P HA -0.195 nan 4.420 nan 0.000 0.219 354 P C 1.598 179.125 177.300 0.379 0.000 1.146 354 P CA 1.091 64.303 63.100 0.187 0.000 0.808 354 P CB 0.389 32.049 31.700 -0.067 0.000 0.779 355 E N -0.072 120.385 120.200 0.428 0.000 2.482 355 E HA -0.019 4.331 4.350 0.001 0.000 0.196 355 E C 1.088 177.800 176.600 0.187 0.000 1.047 355 E CA 0.852 57.444 56.400 0.319 0.000 0.869 355 E CB -0.792 29.086 29.700 0.297 0.000 0.836 355 E HN 0.053 nan 8.360 nan 0.000 0.520 356 A N 1.237 124.197 122.820 0.234 0.000 5.395 356 A HA -0.376 3.945 4.320 0.001 0.000 0.332 356 A C 0.942 178.603 177.584 0.128 0.000 1.754 356 A CA 2.678 54.833 52.037 0.197 0.000 0.716 356 A CB -1.925 17.213 19.000 0.231 0.000 1.411 356 A HN 1.045 nan 8.150 nan 0.000 0.398 357 S N -0.794 114.970 115.700 0.107 0.000 3.625 357 S HA -0.047 4.423 4.470 0.001 0.000 0.426 357 S C -1.734 172.882 174.600 0.026 0.000 0.884 357 S CA 1.006 59.236 58.200 0.049 0.000 1.322 357 S CB -0.968 62.252 63.200 0.033 0.000 0.905 357 S HN 1.148 nan 8.310 nan 0.000 0.586 358 P HA 0.823 nan 4.420 nan 0.000 0.286 358 P C 0.613 177.963 177.300 0.082 0.000 1.292 358 P CA 0.717 63.838 63.100 0.035 0.000 0.842 358 P CB 1.250 32.951 31.700 0.002 0.000 1.207 359 G N -0.841 108.013 108.800 0.090 0.000 2.384 359 G HA2 0.028 3.988 3.960 0.001 0.000 0.668 359 G HA3 0.028 3.988 3.960 0.001 0.000 0.668 359 G C -3.212 171.771 174.900 0.139 0.000 1.280 359 G CA -0.947 44.217 45.100 0.107 0.000 0.992 359 G HN 0.479 nan 8.290 nan 0.000 0.512 360 P HA 0.283 nan 4.420 nan 0.000 0.268 360 P C 0.297 177.737 177.300 0.234 0.000 1.205 360 P CA 0.096 63.255 63.100 0.098 0.000 0.771 360 P CB 0.064 31.812 31.700 0.081 0.000 0.858 361 H N 0.134 119.248 119.070 0.075 0.000 2.539 361 H HA -0.026 4.531 4.556 0.001 0.000 0.267 361 H C 0.672 176.043 175.328 0.072 0.000 0.982 361 H CA -0.177 55.920 56.048 0.082 0.000 1.146 361 H CB 0.081 29.888 29.762 0.076 0.000 1.382 361 H HN 0.435 nan 8.280 nan 0.000 0.577 362 D N 1.563 122.062 120.400 0.164 0.000 2.203 362 D HA -0.166 4.474 4.640 0.001 0.000 0.199 362 D C 1.933 178.270 176.300 0.061 0.000 0.997 362 D CA 1.264 55.324 54.000 0.100 0.000 0.863 362 D CB -0.048 40.796 40.800 0.074 0.000 0.928 362 D HN 0.464 nan 8.370 nan 0.000 0.458 363 A N -0.104 122.744 122.820 0.047 0.000 2.345 363 A HA 0.492 4.812 4.320 0.001 0.000 0.225 363 A C 2.044 179.609 177.584 -0.031 0.000 1.243 363 A CA 0.704 52.686 52.037 -0.093 0.000 0.875 363 A CB -0.069 18.771 19.000 -0.268 0.000 0.929 363 A HN 0.144 nan 8.150 nan 0.000 0.502 364 A N 1.568 124.459 122.820 0.118 0.000 1.978 364 A HA -0.053 4.268 4.320 0.001 0.000 0.220 364 A C -0.094 177.651 177.584 0.268 0.000 1.170 364 A CA 1.738 53.932 52.037 0.262 0.000 0.636 364 A CB -1.339 17.768 19.000 0.177 0.000 0.810 364 A HN 0.430 nan 8.150 nan 0.000 0.448 365 P HA -0.106 nan 4.420 nan 0.000 0.226 365 P C 1.166 178.507 177.300 0.068 0.000 1.146 365 P CA 0.599 63.758 63.100 0.098 0.000 0.773 365 P CB -0.156 31.574 31.700 0.049 0.000 0.772 366 L N -2.367 118.842 121.223 -0.023 0.000 2.131 366 L HA -0.146 4.194 4.340 0.001 0.000 0.210 366 L C 2.222 178.987 176.870 -0.175 0.000 1.092 366 L CA 1.598 56.367 54.840 -0.119 0.000 0.759 366 L CB -1.048 40.840 42.059 -0.286 0.000 0.903 366 L HN -0.105 nan 8.230 nan 0.000 0.435 367 F N -0.060 119.881 119.950 -0.016 0.000 2.134 367 F HA -0.233 4.295 4.527 0.001 0.000 0.299 367 F C 2.331 178.154 175.800 0.039 0.000 1.097 367 F CA 1.392 59.390 58.000 -0.003 0.000 1.264 367 F CB -0.581 38.456 39.000 0.062 0.000 1.001 367 F HN 0.154 nan 8.300 nan 0.000 0.479 368 D N -1.141 119.407 120.400 0.247 0.000 2.123 368 D HA -0.249 4.391 4.640 0.001 0.000 0.196 368 D C 2.030 178.376 176.300 0.077 0.000 0.992 368 D CA 1.740 55.824 54.000 0.141 0.000 0.833 368 D CB -0.729 40.137 40.800 0.110 0.000 0.954 368 D HN 0.344 nan 8.370 nan 0.000 0.455 369 H N -0.195 118.843 119.070 -0.054 0.000 2.421 369 H HA -0.141 4.415 4.556 0.001 0.000 0.298 369 H C 1.733 176.988 175.328 -0.121 0.000 1.087 369 H CA 1.047 56.984 56.048 -0.185 0.000 1.330 369 H CB -0.473 29.034 29.762 -0.424 0.000 1.388 369 H HN 0.052 nan 8.280 nan 0.000 0.526 370 F N 0.491 120.220 119.950 -0.368 0.000 2.206 370 F HA -0.060 4.468 4.527 0.001 0.000 0.298 370 F C 1.953 177.619 175.800 -0.224 0.000 1.090 370 F CA 0.701 58.550 58.000 -0.252 0.000 1.323 370 F CB -0.353 38.509 39.000 -0.231 0.000 1.028 370 F HN 0.165 nan 8.300 nan 0.000 0.492 371 I N 0.245 120.670 120.570 -0.242 0.000 2.315 371 I HA -0.234 3.937 4.170 0.001 0.000 0.248 371 I C 2.340 178.224 176.117 -0.389 0.000 1.117 371 I CA 1.146 62.203 61.300 -0.405 0.000 1.404 371 I CB -1.299 36.597 38.000 -0.174 0.000 1.071 371 I HN 0.260 nan 8.210 nan 0.000 0.419 372 E N 1.160 121.216 120.200 -0.241 0.000 2.033 372 E HA -0.239 4.112 4.350 0.001 0.000 0.199 372 E C 2.415 178.893 176.600 -0.204 0.000 1.011 372 E CA 1.483 57.783 56.400 -0.167 0.000 0.815 372 E CB -0.103 29.553 29.700 -0.072 0.000 0.755 372 E HN 0.389 nan 8.360 nan 0.000 0.451 373 L N 0.639 121.696 121.223 -0.277 0.000 2.081 373 L HA -0.250 4.090 4.340 0.001 0.000 0.212 373 L C 2.533 179.303 176.870 -0.168 0.000 1.080 373 L CA 1.033 55.759 54.840 -0.190 0.000 0.754 373 L CB -0.502 41.451 42.059 -0.176 0.000 0.893 373 L HN 0.292 nan 8.230 nan 0.000 0.433 374 I N -0.419 119.945 120.570 -0.343 0.000 2.202 374 I HA -0.241 3.930 4.170 0.001 0.000 0.242 374 I C 2.445 178.414 176.117 -0.247 0.000 1.091 374 I CA 1.262 62.352 61.300 -0.350 0.000 1.368 374 I CB -0.286 37.284 38.000 -0.717 0.000 1.058 374 I HN 0.291 nan 8.210 nan 0.000 0.410 375 E N 0.518 120.518 120.200 -0.333 0.000 2.077 375 E HA -0.306 4.044 4.350 0.001 0.000 0.193 375 E C 2.156 178.724 176.600 -0.054 0.000 0.989 375 E CA 1.316 57.609 56.400 -0.178 0.000 0.800 375 E CB -0.123 29.501 29.700 -0.128 0.000 0.746 375 E HN 0.503 nan 8.360 nan 0.000 0.452 376 Q N 0.064 119.840 119.800 -0.040 0.000 2.230 376 Q HA -0.204 4.136 4.340 0.001 0.000 0.202 376 Q C 1.854 177.884 176.000 0.050 0.000 0.963 376 Q CA 1.096 56.903 55.803 0.007 0.000 0.866 376 Q CB -0.154 28.593 28.738 0.015 0.000 0.931 376 Q HN 0.463 nan 8.270 nan 0.000 0.452 377 Y N 0.412 120.668 120.300 -0.074 0.000 2.395 377 Y HA 0.045 4.595 4.550 0.001 0.000 0.293 377 Y C 1.792 177.676 175.900 -0.028 0.000 1.123 377 Y CA 0.853 58.925 58.100 -0.047 0.000 1.227 377 Y CB 0.299 38.720 38.460 -0.066 0.000 1.012 377 Y HN 0.008 nan 8.280 nan 0.000 0.552 378 R N 0.049 120.472 120.500 -0.128 0.000 2.200 378 R HA -0.014 4.326 4.340 0.001 0.000 0.208 378 R C 2.137 178.361 176.300 -0.127 0.000 1.033 378 R CA 0.668 56.662 56.100 -0.177 0.000 1.000 378 R CB -0.024 30.268 30.300 -0.012 0.000 0.906 378 R HN 0.187 nan 8.270 nan 0.000 0.462 379 K N 0.108 120.464 120.400 -0.074 0.000 2.103 379 K HA -0.062 4.259 4.320 0.001 0.000 0.207 379 K C 0.342 176.898 176.600 -0.072 0.000 1.048 379 K CA 1.279 57.538 56.287 -0.047 0.000 0.930 379 K CB 0.125 32.613 32.500 -0.019 0.000 0.716 379 K HN 0.133 nan 8.250 nan 0.000 0.444 380 T N 0.000 114.486 114.554 -0.113 0.000 3.816 380 T HA 0.000 4.351 4.350 0.001 0.000 0.228 380 T CA 0.000 62.029 62.100 -0.119 0.000 1.349 380 T CB 0.000 68.826 68.868 -0.070 0.000 0.612 380 T HN 0.000 nan 8.240 nan 0.000 0.658