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 3oeh_1_D DATA FIRST_RESID 6 DATA SEQUENCE STPITGKVTA VIGAIVDVHF EQSELPAILN ALEIKTPQGK LVLEVAQHLG DATA SEQUENCE ENTVRTIAMD GTEGLVRGEK VLDTGGPISV PVGRETLGRI INVIGEPIDE DATA SEQUENCE RGPIKSKLRK PIHADPPSFA EQSTSAEILE TGIKVVDLLA PYARGGKIGL DATA SEQUENCE FGGAGVGKTV FIQELINNIA KAHGGFSVFT GVGERTREGN DLYREMKETG DATA SEQUENCE VINLEGESKV ALVFGQMNEP PGARARVALT GLTIAEYFRD EEGQDVLLFI DATA SEQUENCE DNIFRFTQAG SEVSALLGRI PSAFGYQPTL ATDMGLLQER ITTTKKGSVT DATA SEQUENCE SVQAVYVPAD DLTDPAPATT FAHLDATTVL SRGISELGIY PAVDPLDSKS DATA SEQUENCE RLLDAAVVGQ EHYDVASKVQ ETLQTYKSLQ DIIAILGMDE LSEQDKLTVE DATA SEQUENCE RARKIQRFLS QPFAVAEVFT GIPGKLVRLK DTVASFKAVL EGKYDNIPEH DATA SEQUENCE AFYMVGGIED VVAKAEKLAA 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.605 174.600 0.008 0.000 1.055 6 S CA 0.000 58.204 58.200 0.006 0.000 1.107 6 S CB 0.000 63.203 63.200 0.005 0.000 0.593 7 T N 3.917 118.477 114.554 0.010 0.000 3.734 7 T HA 0.269 4.620 4.350 0.000 0.000 0.238 7 T C -2.835 171.878 174.700 0.021 0.000 1.205 7 T CA -0.841 61.268 62.100 0.014 0.000 1.606 7 T CB 0.169 69.043 68.868 0.011 0.000 0.832 7 T HN 0.176 nan 8.240 nan 0.000 0.655 8 P HA 0.253 nan 4.420 nan 0.000 0.263 8 P C -0.167 177.162 177.300 0.047 0.000 1.276 8 P CA -0.161 62.958 63.100 0.031 0.000 0.986 8 P CB 0.013 31.728 31.700 0.024 0.000 1.105 9 I N 2.673 123.283 120.570 0.066 0.000 2.389 9 I HA -0.003 4.168 4.170 0.000 0.000 0.295 9 I C 1.326 177.542 176.117 0.165 0.000 1.117 9 I CA 0.233 61.599 61.300 0.110 0.000 1.317 9 I CB 0.162 38.224 38.000 0.103 0.000 1.431 9 I HN 0.276 nan 8.210 nan 0.000 0.521 10 T N 4.946 119.563 114.554 0.106 0.000 2.897 10 T HA 0.594 4.944 4.350 0.000 0.000 0.294 10 T C 0.161 174.817 174.700 -0.073 0.000 1.004 10 T CA -0.323 61.798 62.100 0.035 0.000 1.106 10 T CB 0.784 69.650 68.868 -0.003 0.000 0.949 10 T HN 0.763 nan 8.240 nan 0.000 0.520 11 G N 2.900 111.507 108.800 -0.322 0.000 2.798 11 G HA2 0.700 4.660 3.960 0.000 0.000 0.286 11 G HA3 0.700 4.660 3.960 0.000 0.000 0.286 11 G C -1.705 172.922 174.900 -0.454 0.000 1.389 11 G CA -0.862 43.735 45.100 -0.839 0.000 0.894 11 G HN 0.715 nan 8.290 nan 0.000 0.488 12 K N -0.079 120.082 120.400 -0.399 0.000 2.427 12 K HA 0.488 4.808 4.320 0.000 0.000 0.252 12 K C -0.916 175.602 176.600 -0.137 0.000 0.931 12 K CA -0.785 55.389 56.287 -0.189 0.000 0.793 12 K CB 3.088 35.520 32.500 -0.115 0.000 1.211 12 K HN 0.254 nan 8.250 nan 0.000 0.426 13 V N 2.635 122.496 119.914 -0.089 0.000 2.529 13 V HA -0.049 4.072 4.120 0.000 0.000 0.292 13 V C 1.418 177.490 176.094 -0.037 0.000 1.028 13 V CA 0.864 63.136 62.300 -0.048 0.000 1.074 13 V CB 0.725 32.529 31.823 -0.033 0.000 0.958 13 V HN 1.080 nan 8.190 nan 0.000 0.481 14 T N 1.204 115.749 114.554 -0.016 0.000 2.959 14 T HA 0.577 4.927 4.350 0.000 0.000 0.254 14 T C 0.299 174.994 174.700 -0.009 0.000 1.003 14 T CA 0.464 62.554 62.100 -0.017 0.000 0.950 14 T CB 0.553 69.416 68.868 -0.007 0.000 1.090 14 T HN 1.034 nan 8.240 nan 0.000 0.503 15 A N 0.409 123.229 122.820 0.001 0.000 2.566 15 A HA 0.685 5.005 4.320 0.000 0.000 0.297 15 A C -1.537 176.049 177.584 0.005 0.000 1.059 15 A CA -0.642 51.396 52.037 0.003 0.000 0.691 15 A CB 1.930 20.935 19.000 0.009 0.000 1.282 15 A HN 0.306 nan 8.150 nan 0.000 0.401 16 V N 3.426 123.341 119.914 0.002 0.000 2.398 16 V HA 0.400 4.521 4.120 0.000 0.000 0.282 16 V C -0.836 175.259 176.094 0.002 0.000 1.014 16 V CA 0.043 62.345 62.300 0.003 0.000 0.838 16 V CB 0.840 32.663 31.823 -0.000 0.000 1.018 16 V HN 0.691 nan 8.190 nan 0.000 0.432 17 I N 4.415 124.988 120.570 0.004 0.000 2.420 17 I HA 0.617 4.787 4.170 0.000 0.000 0.282 17 I C 1.234 177.352 176.117 0.002 0.000 1.019 17 I CA -0.018 61.283 61.300 0.003 0.000 1.130 17 I CB 1.323 39.325 38.000 0.003 0.000 1.262 17 I HN 0.732 nan 8.210 nan 0.000 0.454 18 G N 5.214 114.014 108.800 0.001 0.000 2.646 18 G HA2 -0.409 3.552 3.960 0.000 0.000 0.324 18 G HA3 -0.409 3.552 3.960 0.000 0.000 0.324 18 G C 0.867 175.768 174.900 0.001 0.000 1.195 18 G CA 0.722 45.822 45.100 -0.000 0.000 0.976 18 G HN 0.813 nan 8.290 nan 0.000 0.546 19 A N -0.499 122.321 122.820 0.001 0.000 2.308 19 A HA 0.621 4.942 4.320 0.000 0.000 0.217 19 A C 0.757 178.345 177.584 0.007 0.000 1.216 19 A CA 0.439 52.478 52.037 0.003 0.000 0.864 19 A CB 0.135 19.134 19.000 -0.002 0.000 0.902 19 A HN 0.553 nan 8.150 nan 0.000 0.499 20 I N 1.550 122.124 120.570 0.007 0.000 2.330 20 I HA 0.312 4.483 4.170 0.000 0.000 0.289 20 I C -0.658 175.469 176.117 0.016 0.000 1.001 20 I CA -0.365 60.943 61.300 0.013 0.000 1.193 20 I CB 1.137 39.144 38.000 0.011 0.000 1.345 20 I HN -0.170 nan 8.210 nan 0.000 0.461 21 V N 5.841 125.769 119.914 0.023 0.000 2.483 21 V HA 0.385 4.505 4.120 0.000 0.000 0.295 21 V C -0.244 175.872 176.094 0.037 0.000 1.035 21 V CA -0.676 61.639 62.300 0.026 0.000 0.896 21 V CB 2.277 34.115 31.823 0.026 0.000 0.986 21 V HN 0.557 nan 8.190 nan 0.000 0.447 22 D N 2.881 123.302 120.400 0.035 0.000 2.256 22 D HA 0.569 5.210 4.640 0.000 0.000 0.240 22 D C -0.774 175.557 176.300 0.051 0.000 1.062 22 D CA -0.027 54.002 54.000 0.049 0.000 0.832 22 D CB 2.196 43.021 40.800 0.042 0.000 1.135 22 D HN 0.233 nan 8.370 nan 0.000 0.484 23 V N 2.810 122.775 119.914 0.084 0.000 2.588 23 V HA 0.201 4.321 4.120 0.000 0.000 0.304 23 V C -0.148 175.995 176.094 0.081 0.000 1.042 23 V CA -0.847 61.482 62.300 0.049 0.000 0.877 23 V CB 2.181 34.056 31.823 0.087 0.000 0.996 23 V HN 0.550 nan 8.190 nan 0.000 0.425 24 H N 3.892 122.866 119.070 -0.159 0.000 2.463 24 H HA 0.659 5.215 4.556 0.000 0.000 0.332 24 H C -1.694 173.438 175.328 -0.326 0.000 1.127 24 H CA -0.207 55.776 56.048 -0.108 0.000 1.238 24 H CB 1.531 31.241 29.762 -0.087 0.000 1.478 24 H HN 0.493 nan 8.280 nan 0.000 0.499 25 F N 0.993 120.614 119.950 -0.548 0.000 2.764 25 F HA 0.286 4.813 4.527 0.000 0.000 0.347 25 F C 0.329 175.907 175.800 -0.370 0.000 1.151 25 F CA -0.861 56.951 58.000 -0.315 0.000 1.021 25 F CB 1.093 39.960 39.000 -0.222 0.000 1.438 25 F HN 0.435 nan 8.300 nan 0.000 0.516 26 E N 0.051 120.292 120.200 0.068 0.000 2.259 26 E HA 0.161 4.511 4.350 0.000 0.000 0.257 26 E C -0.913 175.687 176.600 -0.001 0.000 0.998 26 E CA -0.710 55.702 56.400 0.019 0.000 0.866 26 E CB 0.815 30.546 29.700 0.050 0.000 1.220 26 E HN 0.540 nan 8.360 nan 0.000 0.415 27 Q N 0.461 120.263 119.800 0.002 0.000 3.551 27 Q HA -0.149 4.191 4.340 0.000 0.000 0.368 27 Q C -0.143 175.847 176.000 -0.017 0.000 1.097 27 Q CA 0.842 56.642 55.803 -0.005 0.000 1.274 27 Q CB -1.145 27.596 28.738 0.006 0.000 0.967 27 Q HN 0.651 nan 8.270 nan 0.000 0.437 28 S N 1.064 116.742 115.700 -0.036 0.000 3.581 28 S HA -0.263 4.207 4.470 0.000 0.000 0.354 28 S C -0.049 174.520 174.600 -0.052 0.000 1.059 28 S CA 1.618 59.792 58.200 -0.044 0.000 1.060 28 S CB -2.133 61.053 63.200 -0.023 0.000 0.908 28 S HN 0.977 nan 8.310 nan 0.000 0.475 29 E N -0.324 119.838 120.200 -0.064 0.000 2.989 29 E HA 0.597 4.947 4.350 0.000 0.000 0.207 29 E C 0.067 176.549 176.600 -0.195 0.000 0.989 29 E CA -0.906 55.449 56.400 -0.075 0.000 1.186 29 E CB 0.222 29.915 29.700 -0.012 0.000 1.141 29 E HN 0.672 nan 8.360 nan 0.000 0.454 30 L N 2.206 123.256 121.223 -0.288 0.000 2.439 30 L HA 0.337 4.678 4.340 0.000 0.000 0.269 30 L C -1.743 174.836 176.870 -0.484 0.000 1.179 30 L CA -2.011 52.485 54.840 -0.574 0.000 0.828 30 L CB -0.001 41.719 42.059 -0.565 0.000 1.106 30 L HN 0.166 nan 8.230 nan 0.000 0.467 31 P HA 0.199 nan 4.420 nan 0.000 0.277 31 P C -0.792 176.460 177.300 -0.080 0.000 1.240 31 P CA -0.544 62.364 63.100 -0.320 0.000 0.798 31 P CB 0.984 32.478 31.700 -0.342 0.000 0.979 32 A N 3.197 125.994 122.820 -0.039 0.000 2.425 32 A HA 0.214 4.534 4.320 0.000 0.000 0.242 32 A C 0.674 178.243 177.584 -0.026 0.000 1.077 32 A CA -0.438 51.591 52.037 -0.012 0.000 0.781 32 A CB -0.545 18.425 19.000 -0.051 0.000 1.020 32 A HN 0.554 nan 8.150 nan 0.000 0.494 33 I N 0.869 121.378 120.570 -0.103 0.000 2.710 33 I HA 0.007 4.177 4.170 0.000 0.000 0.286 33 I C 0.463 176.500 176.117 -0.134 0.000 1.181 33 I CA 0.710 61.937 61.300 -0.121 0.000 1.430 33 I CB 0.213 38.093 38.000 -0.201 0.000 1.367 33 I HN 0.730 nan 8.210 nan 0.000 0.577 34 L N 2.890 124.028 121.223 -0.141 0.000 4.793 34 L HA -0.238 4.102 4.340 0.000 0.000 0.404 34 L C -0.202 176.594 176.870 -0.123 0.000 1.022 34 L CA -0.031 54.669 54.840 -0.233 0.000 1.242 34 L CB -1.798 40.002 42.059 -0.431 0.000 2.049 34 L HN 0.678 nan 8.230 nan 0.000 0.637 35 N N 0.974 119.638 118.700 -0.061 0.000 2.529 35 N HA 0.604 5.345 4.740 0.000 0.000 0.278 35 N C 0.259 175.774 175.510 0.007 0.000 1.146 35 N CA 0.623 53.659 53.050 -0.024 0.000 0.980 35 N CB 1.225 39.691 38.487 -0.035 0.000 1.124 35 N HN 0.265 nan 8.380 nan 0.000 0.458 36 A N 2.764 125.598 122.820 0.024 0.000 2.362 36 A HA 0.448 4.768 4.320 0.000 0.000 0.276 36 A C -0.223 177.386 177.584 0.043 0.000 1.153 36 A CA -0.375 51.684 52.037 0.038 0.000 0.813 36 A CB -0.175 18.848 19.000 0.038 0.000 1.081 36 A HN 0.629 nan 8.150 nan 0.000 0.507 37 L N 2.132 123.391 121.223 0.059 0.000 2.331 37 L HA 0.566 4.907 4.340 0.000 0.000 0.275 37 L C 0.244 177.152 176.870 0.063 0.000 1.022 37 L CA -0.436 54.454 54.840 0.083 0.000 0.812 37 L CB 1.620 43.757 42.059 0.130 0.000 1.257 37 L HN 0.735 nan 8.230 nan 0.000 0.435 38 E N 2.107 122.342 120.200 0.059 0.000 2.256 38 E HA 0.618 4.969 4.350 0.000 0.000 0.267 38 E C -1.312 175.306 176.600 0.030 0.000 0.892 38 E CA -0.674 55.749 56.400 0.038 0.000 0.775 38 E CB 3.208 32.926 29.700 0.030 0.000 1.207 38 E HN 0.397 nan 8.360 nan 0.000 0.420 39 I N 2.272 122.854 120.570 0.020 0.000 2.466 39 I HA 0.243 4.414 4.170 0.000 0.000 0.289 39 I C -0.295 175.827 176.117 0.007 0.000 1.026 39 I CA -0.694 60.612 61.300 0.010 0.000 1.078 39 I CB 1.728 39.732 38.000 0.007 0.000 1.249 39 I HN 0.183 nan 8.210 nan 0.000 0.429 40 K N 5.327 125.730 120.400 0.004 0.000 2.312 40 K HA 0.338 4.659 4.320 0.000 0.000 0.287 40 K C -0.211 176.389 176.600 0.001 0.000 1.062 40 K CA -0.108 56.181 56.287 0.003 0.000 0.934 40 K CB 0.766 33.267 32.500 0.002 0.000 1.027 40 K HN 0.756 nan 8.250 nan 0.000 0.478 41 T N 1.150 115.705 114.554 0.001 0.000 2.942 41 T HA 0.390 4.741 4.350 0.000 0.000 0.289 41 T C -1.953 172.748 174.700 0.000 0.000 1.044 41 T CA -1.930 60.170 62.100 0.000 0.000 1.023 41 T CB 1.533 70.402 68.868 0.001 0.000 1.123 41 T HN 0.293 nan 8.240 nan 0.000 0.512 42 P HA 0.018 nan 4.420 nan 0.000 0.217 42 P C 2.036 179.336 177.300 0.000 0.000 1.150 42 P CA 1.823 64.922 63.100 -0.001 0.000 0.832 42 P CB -0.206 31.493 31.700 -0.001 0.000 0.787 43 Q N -0.267 119.533 119.800 0.001 0.000 2.062 43 Q HA 0.285 4.625 4.340 0.000 0.000 0.196 43 Q C 1.659 177.660 176.000 0.002 0.000 0.967 43 Q CA 1.726 57.529 55.803 0.001 0.000 0.832 43 Q CB -1.145 27.594 28.738 0.001 0.000 0.899 43 Q HN 0.400 nan 8.270 nan 0.000 0.442 44 G N -0.785 108.016 108.800 0.002 0.000 3.159 44 G HA2 0.449 4.410 3.960 0.000 0.000 0.150 44 G HA3 0.449 4.410 3.960 0.000 0.000 0.150 44 G C -0.948 173.954 174.900 0.004 0.000 1.193 44 G CA 0.097 45.199 45.100 0.003 0.000 1.177 44 G HN 0.645 nan 8.290 nan 0.000 0.635 45 K N -0.776 119.627 120.400 0.006 0.000 2.340 45 K HA 0.831 5.151 4.320 0.000 0.000 0.244 45 K C -1.743 174.863 176.600 0.009 0.000 0.973 45 K CA -0.836 55.455 56.287 0.007 0.000 0.828 45 K CB 2.789 35.294 32.500 0.009 0.000 1.226 45 K HN 0.466 nan 8.250 nan 0.000 0.437 46 L N 1.576 122.806 121.223 0.011 0.000 2.346 46 L HA 0.448 4.788 4.340 0.000 0.000 0.276 46 L C -1.498 175.383 176.870 0.019 0.000 1.006 46 L CA -0.621 54.227 54.840 0.014 0.000 0.817 46 L CB 2.135 44.201 42.059 0.012 0.000 1.272 46 L HN 0.573 nan 8.230 nan 0.000 0.421 47 V N 6.032 125.959 119.914 0.022 0.000 2.417 47 V HA 0.471 4.591 4.120 0.000 0.000 0.291 47 V C -0.093 176.021 176.094 0.033 0.000 1.024 47 V CA -0.551 61.766 62.300 0.028 0.000 0.861 47 V CB 1.328 33.168 31.823 0.027 0.000 0.985 47 V HN 0.598 nan 8.190 nan 0.000 0.436 48 L N 3.925 125.173 121.223 0.041 0.000 2.325 48 L HA 0.642 4.982 4.340 0.000 0.000 0.278 48 L C 0.039 176.939 176.870 0.050 0.000 1.023 48 L CA -0.399 54.469 54.840 0.045 0.000 0.811 48 L CB 1.885 43.976 42.059 0.054 0.000 1.249 48 L HN 0.692 nan 8.230 nan 0.000 0.431 49 E N 2.008 122.236 120.200 0.047 0.000 2.166 49 E HA 0.395 4.745 4.350 0.000 0.000 0.275 49 E C -1.176 175.443 176.600 0.033 0.000 0.941 49 E CA -0.805 55.621 56.400 0.043 0.000 0.784 49 E CB 1.891 31.626 29.700 0.058 0.000 1.115 49 E HN 0.343 nan 8.360 nan 0.000 0.399 50 V N 4.094 124.021 119.914 0.022 0.000 2.585 50 V HA 0.147 4.268 4.120 0.000 0.000 0.296 50 V C 0.897 176.996 176.094 0.007 0.000 1.035 50 V CA 0.799 63.117 62.300 0.030 0.000 1.084 50 V CB 0.731 32.573 31.823 0.031 0.000 0.953 50 V HN 0.908 nan 8.190 nan 0.000 0.483 51 A N 3.998 126.833 122.820 0.024 0.000 1.984 51 A HA 0.313 4.633 4.320 0.000 0.000 0.203 51 A C 0.769 178.355 177.584 0.004 0.000 1.292 51 A CA 0.258 52.296 52.037 0.002 0.000 0.782 51 A CB 0.308 19.313 19.000 0.009 0.000 0.924 51 A HN 0.754 nan 8.150 nan 0.000 0.475 52 Q N -0.695 119.135 119.800 0.050 0.000 2.389 52 Q HA 0.377 4.717 4.340 0.000 0.000 0.277 52 Q C -1.612 174.504 176.000 0.193 0.000 1.082 52 Q CA -0.510 55.332 55.803 0.065 0.000 0.810 52 Q CB 2.052 30.820 28.738 0.050 0.000 1.374 52 Q HN 0.650 nan 8.270 nan 0.000 0.422 53 H N 2.544 121.601 119.070 -0.021 0.000 2.705 53 H HA 0.176 4.732 4.556 0.000 0.000 0.291 53 H C 0.546 175.873 175.328 -0.002 0.000 1.085 53 H CA -0.226 55.812 56.048 -0.017 0.000 1.357 53 H CB 0.929 30.672 29.762 -0.033 0.000 1.419 53 H HN 0.448 nan 8.280 nan 0.000 0.462 54 L N 3.071 124.356 121.223 0.102 0.000 2.554 54 L HA 0.127 4.468 4.340 0.000 0.000 0.226 54 L C 1.222 178.125 176.870 0.055 0.000 1.137 54 L CA 0.411 55.292 54.840 0.068 0.000 0.863 54 L CB -0.142 41.950 42.059 0.056 0.000 0.985 54 L HN 0.904 nan 8.230 nan 0.000 0.451 55 G N 0.342 109.173 108.800 0.052 0.000 2.707 55 G HA2 -0.196 3.764 3.960 0.000 0.000 0.686 55 G HA3 -0.196 3.764 3.960 0.000 0.000 0.686 55 G C -0.013 174.904 174.900 0.029 0.000 1.315 55 G CA -0.446 44.676 45.100 0.036 0.000 0.832 55 G HN 0.354 nan 8.290 nan 0.000 0.573 56 E N 0.058 120.274 120.200 0.028 0.000 2.297 56 E HA -0.253 4.097 4.350 0.000 0.000 0.228 56 E C 0.880 177.505 176.600 0.041 0.000 1.213 56 E CA 0.616 57.044 56.400 0.046 0.000 0.712 56 E CB -1.015 28.724 29.700 0.064 0.000 1.202 56 E HN 1.013 nan 8.360 nan 0.000 0.376 57 N N -1.369 117.309 118.700 -0.037 0.000 2.661 57 N HA -0.174 4.566 4.740 0.000 0.000 0.249 57 N C -0.470 174.938 175.510 -0.169 0.000 1.142 57 N CA 2.068 55.028 53.050 -0.150 0.000 0.727 57 N CB -1.136 37.210 38.487 -0.234 0.000 1.099 57 N HN 0.400 nan 8.380 nan 0.000 0.558 58 T N -0.648 113.889 114.554 -0.028 0.000 2.925 58 T HA 0.664 5.014 4.350 0.000 0.000 0.285 58 T C 0.617 175.327 174.700 0.015 0.000 1.021 58 T CA -0.739 61.389 62.100 0.047 0.000 1.042 58 T CB 2.728 71.664 68.868 0.113 0.000 1.037 58 T HN 0.121 nan 8.240 nan 0.000 0.481 59 V N 0.269 120.228 119.914 0.074 0.000 2.769 59 V HA 0.781 4.901 4.120 0.000 0.000 0.312 59 V C -0.472 175.680 176.094 0.097 0.000 1.061 59 V CA -1.408 60.935 62.300 0.071 0.000 0.931 59 V CB 1.798 33.654 31.823 0.056 0.000 1.010 59 V HN 0.889 nan 8.190 nan 0.000 0.433 60 R N 2.206 122.758 120.500 0.086 0.000 2.407 60 R HA 0.760 5.100 4.340 0.000 0.000 0.303 60 R C 0.009 176.348 176.300 0.065 0.000 0.981 60 R CA 0.379 56.520 56.100 0.068 0.000 0.905 60 R CB 1.631 31.962 30.300 0.052 0.000 1.099 60 R HN 1.190 nan 8.270 nan 0.000 0.459 61 T N 0.789 115.377 114.554 0.058 0.000 2.883 61 T HA 0.581 4.931 4.350 0.000 0.000 0.284 61 T C -0.164 174.558 174.700 0.036 0.000 1.041 61 T CA -0.839 61.292 62.100 0.051 0.000 1.007 61 T CB 1.110 70.017 68.868 0.065 0.000 1.220 61 T HN 0.450 nan 8.240 nan 0.000 0.552 62 I N 1.205 121.794 120.570 0.032 0.000 2.478 62 I HA 0.553 4.723 4.170 0.000 0.000 0.287 62 I C 0.417 176.549 176.117 0.025 0.000 1.042 62 I CA -1.267 60.047 61.300 0.023 0.000 1.067 62 I CB 1.693 39.703 38.000 0.017 0.000 1.233 62 I HN 1.006 nan 8.210 nan 0.000 0.431 63 A N 6.970 129.802 122.820 0.020 0.000 2.407 63 A HA 0.401 4.721 4.320 0.000 0.000 0.248 63 A C 0.753 178.348 177.584 0.018 0.000 1.082 63 A CA -0.047 52.002 52.037 0.020 0.000 0.785 63 A CB 0.431 19.440 19.000 0.014 0.000 1.020 63 A HN 0.750 nan 8.150 nan 0.000 0.489 64 M N 0.494 120.107 119.600 0.021 0.000 2.371 64 M HA 0.231 4.711 4.480 0.000 0.000 0.246 64 M C -0.123 176.186 176.300 0.016 0.000 1.103 64 M CA 0.418 55.730 55.300 0.020 0.000 1.010 64 M CB -0.723 31.892 32.600 0.025 0.000 1.457 64 M HN 0.771 nan 8.290 nan 0.000 0.486 65 D N -0.948 119.461 120.400 0.014 0.000 2.626 65 D HA 0.481 5.121 4.640 0.000 0.000 0.278 65 D C -0.485 175.820 176.300 0.008 0.000 1.211 65 D CA -0.170 53.836 54.000 0.011 0.000 0.903 65 D CB 1.660 42.467 40.800 0.010 0.000 1.408 65 D HN 0.116 nan 8.370 nan 0.000 0.454 66 G N -0.792 108.011 108.800 0.006 0.000 2.474 66 G HA2 0.286 4.246 3.960 0.000 0.000 0.233 66 G HA3 0.286 4.246 3.960 0.000 0.000 0.233 66 G C 0.854 175.757 174.900 0.004 0.000 1.278 66 G CA 0.677 45.780 45.100 0.004 0.000 0.861 66 G HN 0.412 nan 8.290 nan 0.000 0.567 67 T N -1.435 113.121 114.554 0.003 0.000 3.092 67 T HA 0.153 4.503 4.350 0.000 0.000 0.258 67 T C 0.739 175.439 174.700 0.001 0.000 1.031 67 T CA 0.045 62.147 62.100 0.003 0.000 0.925 67 T CB -0.003 68.868 68.868 0.004 0.000 1.036 67 T HN 0.663 nan 8.240 nan 0.000 0.544 68 E N 1.721 121.922 120.200 0.001 0.000 2.465 68 E HA 0.287 4.637 4.350 0.000 0.000 0.260 68 E C 1.108 177.708 176.600 -0.001 0.000 0.980 68 E CA 0.751 57.150 56.400 -0.001 0.000 0.927 68 E CB 0.149 29.849 29.700 -0.000 0.000 0.934 68 E HN 0.508 nan 8.360 nan 0.000 0.459 69 G N 2.939 111.738 108.800 -0.002 0.000 2.194 69 G HA2 -0.240 3.720 3.960 0.000 0.000 0.236 69 G HA3 -0.240 3.720 3.960 0.000 0.000 0.236 69 G C 0.263 175.161 174.900 -0.004 0.000 0.987 69 G CA 0.068 45.166 45.100 -0.003 0.000 0.635 69 G HN 0.484 nan 8.290 nan 0.000 0.520 70 L N 0.968 122.188 121.223 -0.004 0.000 2.426 70 L HA 0.529 4.870 4.340 0.000 0.000 0.271 70 L C 0.356 177.221 176.870 -0.008 0.000 1.169 70 L CA -0.162 54.674 54.840 -0.005 0.000 0.836 70 L CB 1.381 43.438 42.059 -0.003 0.000 1.112 70 L HN -0.004 nan 8.230 nan 0.000 0.465 71 V N 3.541 123.448 119.914 -0.012 0.000 2.577 71 V HA 0.340 4.460 4.120 0.000 0.000 0.303 71 V C -0.001 176.081 176.094 -0.020 0.000 1.042 71 V CA -0.920 61.371 62.300 -0.015 0.000 0.872 71 V CB 1.878 33.692 31.823 -0.015 0.000 0.998 71 V HN 0.705 nan 8.190 nan 0.000 0.423 72 R N 2.641 123.128 120.500 -0.021 0.000 2.538 72 R HA 0.385 4.725 4.340 0.000 0.000 0.282 72 R C 1.355 177.634 176.300 -0.035 0.000 1.009 72 R CA 1.153 57.236 56.100 -0.027 0.000 1.063 72 R CB 0.077 30.361 30.300 -0.027 0.000 0.945 72 R HN 1.221 nan 8.270 nan 0.000 0.414 73 G N 1.681 110.454 108.800 -0.044 0.000 2.213 73 G HA2 -0.286 3.674 3.960 0.000 0.000 0.226 73 G HA3 -0.286 3.674 3.960 0.000 0.000 0.226 73 G C 0.120 174.991 174.900 -0.049 0.000 0.992 73 G CA -0.165 44.904 45.100 -0.050 0.000 0.632 73 G HN 0.609 nan 8.290 nan 0.000 0.511 74 E N 1.168 121.343 120.200 -0.041 0.000 2.413 74 E HA 0.308 4.658 4.350 0.000 0.000 0.263 74 E C 0.397 176.967 176.600 -0.051 0.000 1.015 74 E CA -0.129 56.249 56.400 -0.038 0.000 0.916 74 E CB 0.285 29.969 29.700 -0.027 0.000 0.947 74 E HN 0.279 nan 8.360 nan 0.000 0.440 75 K N 2.336 122.709 120.400 -0.045 0.000 2.412 75 K HA 0.096 4.416 4.320 0.000 0.000 0.284 75 K C -1.020 175.552 176.600 -0.046 0.000 1.046 75 K CA -0.234 56.021 56.287 -0.054 0.000 0.999 75 K CB 0.691 33.169 32.500 -0.036 0.000 0.941 75 K HN 0.210 nan 8.250 nan 0.000 0.474 76 V N 5.628 125.498 119.914 -0.073 0.000 2.398 76 V HA 0.228 4.348 4.120 0.000 0.000 0.286 76 V C -0.421 175.679 176.094 0.011 0.000 1.026 76 V CA -1.005 61.276 62.300 -0.032 0.000 0.868 76 V CB 1.202 32.996 31.823 -0.048 0.000 0.982 76 V HN 0.536 nan 8.190 nan 0.000 0.443 77 L N 4.053 125.306 121.223 0.049 0.000 2.307 77 L HA 0.614 4.954 4.340 0.000 0.000 0.282 77 L C -0.235 176.704 176.870 0.115 0.000 1.051 77 L CA 0.130 55.015 54.840 0.075 0.000 0.804 77 L CB 1.379 43.465 42.059 0.045 0.000 1.197 77 L HN 0.721 nan 8.230 nan 0.000 0.431 78 D N 2.001 122.486 120.400 0.142 0.000 2.313 78 D HA 0.157 4.797 4.640 0.000 0.000 0.239 78 D C 1.005 177.337 176.300 0.053 0.000 1.142 78 D CA 0.251 54.316 54.000 0.108 0.000 0.847 78 D CB 1.420 42.276 40.800 0.094 0.000 1.082 78 D HN 0.731 nan 8.370 nan 0.000 0.480 79 T N 0.887 115.463 114.554 0.037 0.000 3.085 79 T HA 0.160 4.510 4.350 0.000 0.000 0.263 79 T C 1.500 176.206 174.700 0.010 0.000 1.127 79 T CA 0.364 62.477 62.100 0.022 0.000 1.103 79 T CB -0.370 68.510 68.868 0.020 0.000 0.921 79 T HN 0.716 nan 8.240 nan 0.000 0.510 80 G N 0.159 108.960 108.800 0.001 0.000 2.221 80 G HA2 0.241 4.201 3.960 0.000 0.000 0.265 80 G HA3 0.241 4.201 3.960 0.000 0.000 0.265 80 G C 0.345 175.238 174.900 -0.011 0.000 1.041 80 G CA -0.215 44.878 45.100 -0.011 0.000 0.807 80 G HN 1.520 nan 8.290 nan 0.000 0.502 81 G N -1.689 107.107 108.800 -0.007 0.000 2.387 81 G HA2 0.670 4.630 3.960 0.000 0.000 0.294 81 G HA3 0.670 4.630 3.960 0.000 0.000 0.294 81 G C -3.265 171.641 174.900 0.011 0.000 1.509 81 G CA -0.193 44.906 45.100 -0.002 0.000 0.806 81 G HN 0.222 nan 8.290 nan 0.000 0.546 82 P HA 0.322 nan 4.420 nan 0.000 0.272 82 P C 0.315 177.656 177.300 0.068 0.000 1.240 82 P CA -0.421 62.724 63.100 0.074 0.000 0.791 82 P CB 0.538 32.324 31.700 0.144 0.000 0.978 83 I N 0.435 121.059 120.570 0.090 0.000 2.828 83 I HA -0.076 4.094 4.170 0.000 0.000 0.292 83 I C 0.869 176.993 176.117 0.011 0.000 1.206 83 I CA 0.965 62.292 61.300 0.044 0.000 1.420 83 I CB -0.399 37.627 38.000 0.043 0.000 1.368 83 I HN 0.230 nan 8.210 nan 0.000 0.556 84 S N 5.470 121.165 115.700 -0.008 0.000 2.646 84 S HA 0.647 5.117 4.470 0.000 0.000 0.276 84 S C -0.285 174.283 174.600 -0.053 0.000 1.222 84 S CA -0.765 57.414 58.200 -0.034 0.000 1.014 84 S CB 1.812 64.990 63.200 -0.036 0.000 0.991 84 S HN 0.494 nan 8.310 nan 0.000 0.533 85 V N 0.161 120.027 119.914 -0.081 0.000 2.789 85 V HA 0.681 4.801 4.120 0.000 0.000 0.311 85 V C -2.877 173.139 176.094 -0.130 0.000 1.073 85 V CA -2.927 59.316 62.300 -0.095 0.000 0.921 85 V CB 1.490 33.251 31.823 -0.103 0.000 1.009 85 V HN 0.627 nan 8.190 nan 0.000 0.426 86 P HA 0.227 nan 4.420 nan 0.000 0.266 86 P C -0.323 176.845 177.300 -0.220 0.000 1.195 86 P CA 0.334 63.342 63.100 -0.152 0.000 0.768 86 P CB 1.203 32.841 31.700 -0.105 0.000 0.838 87 V N -1.079 118.640 119.914 -0.325 0.000 3.001 87 V HA 0.961 5.081 4.120 0.000 0.000 0.314 87 V C 0.218 176.064 176.094 -0.413 0.000 1.099 87 V CA -0.085 61.928 62.300 -0.477 0.000 0.989 87 V CB 1.105 32.440 31.823 -0.813 0.000 1.040 87 V HN 1.028 nan 8.190 nan 0.000 0.434 88 G N 2.111 110.730 108.800 -0.302 0.000 2.660 88 G HA2 -0.143 3.817 3.960 0.000 0.000 0.247 88 G HA3 -0.143 3.817 3.960 0.000 0.000 0.247 88 G C 0.337 175.337 174.900 0.167 0.000 1.328 88 G CA 0.142 45.298 45.100 0.094 0.000 0.884 88 G HN 0.948 nan 8.290 nan 0.000 0.531 89 R N 0.402 121.029 120.500 0.211 0.000 2.154 89 R HA -0.112 4.229 4.340 0.000 0.000 0.248 89 R C 1.865 178.162 176.300 -0.004 0.000 1.155 89 R CA 1.828 57.953 56.100 0.043 0.000 0.979 89 R CB -0.277 30.043 30.300 0.034 0.000 0.869 89 R HN 0.661 nan 8.270 nan 0.000 0.452 90 E N -0.086 120.122 120.200 0.013 0.000 2.512 90 E HA -0.039 4.311 4.350 0.000 0.000 0.195 90 E C 1.417 178.014 176.600 -0.005 0.000 1.083 90 E CA 0.821 57.219 56.400 -0.003 0.000 0.873 90 E CB 0.135 29.830 29.700 -0.008 0.000 0.897 90 E HN 0.463 nan 8.360 nan 0.000 0.514 91 T N -2.288 112.271 114.554 0.009 0.000 3.044 91 T HA 0.159 4.509 4.350 0.000 0.000 0.250 91 T C 1.091 175.817 174.700 0.043 0.000 1.081 91 T CA -0.213 61.897 62.100 0.017 0.000 1.040 91 T CB -0.016 68.855 68.868 0.005 0.000 0.962 91 T HN -0.041 nan 8.240 nan 0.000 0.506 92 L N 1.902 123.138 121.223 0.022 0.000 2.410 92 L HA 0.504 4.844 4.340 0.000 0.000 0.273 92 L C 1.659 178.546 176.870 0.027 0.000 1.152 92 L CA 0.572 55.410 54.840 -0.003 0.000 0.855 92 L CB 0.106 42.082 42.059 -0.138 0.000 1.129 92 L HN 0.491 nan 8.230 nan 0.000 0.463 93 G N 1.582 110.420 108.800 0.063 0.000 2.168 93 G HA2 -0.225 3.735 3.960 0.000 0.000 0.263 93 G HA3 -0.225 3.735 3.960 0.000 0.000 0.263 93 G C 0.330 175.305 174.900 0.125 0.000 0.977 93 G CA -0.223 44.938 45.100 0.102 0.000 0.659 93 G HN 0.467 nan 8.290 nan 0.000 0.533 94 R N -0.200 120.350 120.500 0.082 0.000 2.598 94 R HA 0.723 5.063 4.340 0.000 0.000 0.279 94 R C 0.541 176.856 176.300 0.025 0.000 0.984 94 R CA -1.112 55.021 56.100 0.055 0.000 0.999 94 R CB 0.740 31.056 30.300 0.028 0.000 1.114 94 R HN 0.340 nan 8.270 nan 0.000 0.493 95 I N 3.098 123.652 120.570 -0.026 0.000 2.362 95 I HA 0.438 4.608 4.170 0.000 0.000 0.289 95 I C 0.111 176.225 176.117 -0.005 0.000 0.994 95 I CA -0.535 60.743 61.300 -0.037 0.000 1.158 95 I CB 1.056 38.984 38.000 -0.119 0.000 1.315 95 I HN 0.261 nan 8.210 nan 0.000 0.451 96 I N 5.493 126.065 120.570 0.004 0.000 2.693 96 I HA 0.391 4.561 4.170 0.000 0.000 0.303 96 I C -0.099 176.032 176.117 0.024 0.000 1.025 96 I CA -0.630 60.670 61.300 -0.000 0.000 1.086 96 I CB 1.910 39.895 38.000 -0.025 0.000 1.268 96 I HN 0.667 nan 8.210 nan 0.000 0.440 97 N N 2.903 121.615 118.700 0.020 0.000 2.725 97 N HA 0.199 4.940 4.740 0.000 0.000 0.312 97 N C 0.478 175.994 175.510 0.010 0.000 1.295 97 N CA -0.766 52.305 53.050 0.035 0.000 0.914 97 N CB 0.412 38.922 38.487 0.038 0.000 1.177 97 N HN 0.359 nan 8.380 nan 0.000 0.601 98 V N -0.106 119.817 119.914 0.015 0.000 2.343 98 V HA -0.109 4.012 4.120 0.000 0.000 0.247 98 V C 1.657 177.746 176.094 -0.008 0.000 1.051 98 V CA 1.903 64.204 62.300 0.001 0.000 1.036 98 V CB -0.868 30.962 31.823 0.013 0.000 0.654 98 V HN 0.650 nan 8.190 nan 0.000 0.451 99 I N -1.521 119.049 120.570 -0.001 0.000 3.749 99 I HA 0.443 4.613 4.170 0.000 0.000 0.314 99 I C 1.331 177.439 176.117 -0.014 0.000 1.267 99 I CA 0.667 61.965 61.300 -0.003 0.000 1.169 99 I CB -0.753 37.251 38.000 0.005 0.000 1.009 99 I HN 0.368 nan 8.210 nan 0.000 0.444 100 G N 1.160 109.948 108.800 -0.020 0.000 2.147 100 G HA2 -0.259 3.701 3.960 0.000 0.000 0.244 100 G HA3 -0.259 3.701 3.960 0.000 0.000 0.244 100 G C -0.145 174.740 174.900 -0.024 0.000 1.005 100 G CA -0.021 45.060 45.100 -0.032 0.000 0.713 100 G HN 0.651 nan 8.290 nan 0.000 0.515 101 E N 1.221 121.414 120.200 -0.013 0.000 2.231 101 E HA 0.380 4.730 4.350 0.000 0.000 0.277 101 E C -2.169 174.428 176.600 -0.006 0.000 0.999 101 E CA -2.032 54.363 56.400 -0.008 0.000 0.827 101 E CB 1.616 31.314 29.700 -0.002 0.000 1.101 101 E HN 0.145 nan 8.360 nan 0.000 0.393 102 P HA 0.008 nan 4.420 nan 0.000 0.268 102 P C 0.084 177.382 177.300 -0.003 0.000 1.204 102 P CA 0.479 63.576 63.100 -0.004 0.000 0.768 102 P CB 0.277 31.975 31.700 -0.003 0.000 0.842 103 I N -0.351 120.216 120.570 -0.006 0.000 3.424 103 I HA 0.292 4.462 4.170 0.000 0.000 0.339 103 I C -0.334 175.760 176.117 -0.038 0.000 1.549 103 I CA -0.373 60.921 61.300 -0.011 0.000 1.049 103 I CB -0.023 37.979 38.000 0.003 0.000 1.439 103 I HN 0.050 nan 8.210 nan 0.000 0.500 104 D N -0.222 120.160 120.400 -0.030 0.000 2.500 104 D HA 0.059 4.699 4.640 0.000 0.000 0.217 104 D C 0.437 176.749 176.300 0.020 0.000 1.159 104 D CA -0.145 53.839 54.000 -0.027 0.000 0.828 104 D CB 0.041 40.819 40.800 -0.037 0.000 1.039 104 D HN 0.441 nan 8.370 nan 0.000 0.512 105 E N -0.183 120.024 120.200 0.013 0.000 2.791 105 E HA -0.256 4.094 4.350 0.000 0.000 0.271 105 E C 0.478 177.093 176.600 0.026 0.000 1.044 105 E CA 0.331 56.743 56.400 0.019 0.000 0.814 105 E CB -1.228 28.484 29.700 0.021 0.000 1.400 105 E HN 0.368 nan 8.360 nan 0.000 0.423 106 R N 0.105 120.623 120.500 0.029 0.000 2.427 106 R HA 0.265 4.605 4.340 0.000 0.000 0.262 106 R C 0.899 177.212 176.300 0.023 0.000 0.943 106 R CA 0.511 56.631 56.100 0.034 0.000 1.081 106 R CB 0.968 31.298 30.300 0.049 0.000 1.166 106 R HN 0.321 nan 8.270 nan 0.000 0.534 107 G N 1.395 110.205 108.800 0.016 0.000 2.409 107 G HA2 -0.176 3.784 3.960 0.000 0.000 0.421 107 G HA3 -0.176 3.784 3.960 0.000 0.000 0.421 107 G C -2.727 172.177 174.900 0.006 0.000 1.259 107 G CA -1.248 43.858 45.100 0.010 0.000 1.011 107 G HN -0.005 nan 8.290 nan 0.000 0.497 108 P HA 0.565 nan 4.420 nan 0.000 0.275 108 P C -0.089 177.208 177.300 -0.004 0.000 1.266 108 P CA -0.455 62.644 63.100 -0.003 0.000 0.793 108 P CB 0.470 32.167 31.700 -0.004 0.000 1.074 109 I N 0.970 121.533 120.570 -0.012 0.000 2.347 109 I HA 0.164 4.335 4.170 0.000 0.000 0.283 109 I C 0.336 176.439 176.117 -0.023 0.000 1.058 109 I CA -0.321 60.969 61.300 -0.017 0.000 1.202 109 I CB 0.274 38.260 38.000 -0.024 0.000 1.386 109 I HN 0.065 nan 8.210 nan 0.000 0.475 110 K N 5.042 125.433 120.400 -0.016 0.000 2.127 110 K HA 0.187 4.507 4.320 0.000 0.000 0.261 110 K C -0.215 176.372 176.600 -0.021 0.000 1.129 110 K CA -0.143 56.135 56.287 -0.016 0.000 0.993 110 K CB 0.152 32.648 32.500 -0.007 0.000 1.410 110 K HN 0.556 nan 8.250 nan 0.000 0.380 111 S N 0.917 116.595 115.700 -0.037 0.000 2.707 111 S HA 0.265 4.735 4.470 0.000 0.000 0.303 111 S C 0.552 175.114 174.600 -0.063 0.000 1.132 111 S CA -1.080 57.089 58.200 -0.051 0.000 1.046 111 S CB 1.770 64.921 63.200 -0.081 0.000 1.004 111 S HN 0.370 nan 8.310 nan 0.000 0.483 112 K N 1.604 121.977 120.400 -0.044 0.000 2.148 112 K HA -0.119 4.201 4.320 0.000 0.000 0.213 112 K C 0.103 176.662 176.600 -0.068 0.000 1.050 112 K CA 1.691 57.955 56.287 -0.039 0.000 0.932 112 K CB -0.430 32.063 32.500 -0.012 0.000 0.717 112 K HN 0.643 nan 8.250 nan 0.000 0.462 113 L N 0.383 121.530 121.223 -0.127 0.000 2.346 113 L HA 0.366 4.706 4.340 0.000 0.000 0.276 113 L C -0.254 176.496 176.870 -0.201 0.000 1.006 113 L CA -0.847 53.891 54.840 -0.170 0.000 0.817 113 L CB 2.056 43.966 42.059 -0.248 0.000 1.272 113 L HN -0.009 nan 8.230 nan 0.000 0.421 114 R N 2.227 122.638 120.500 -0.148 0.000 2.668 114 R HA 0.659 4.999 4.340 0.000 0.000 0.279 114 R C -0.961 175.254 176.300 -0.141 0.000 0.976 114 R CA -0.916 55.098 56.100 -0.144 0.000 0.978 114 R CB 2.158 32.403 30.300 -0.091 0.000 1.133 114 R HN 0.472 nan 8.270 nan 0.000 0.484 115 K N 1.577 121.893 120.400 -0.140 0.000 2.469 115 K HA 0.401 4.721 4.320 0.000 0.000 0.254 115 K C -2.699 173.858 176.600 -0.072 0.000 0.939 115 K CA -2.137 54.086 56.287 -0.107 0.000 0.812 115 K CB 2.496 34.916 32.500 -0.134 0.000 1.301 115 K HN 0.263 nan 8.250 nan 0.000 0.433 116 P HA 0.052 nan 4.420 nan 0.000 0.268 116 P C 0.534 177.813 177.300 -0.036 0.000 1.205 116 P CA -0.065 63.029 63.100 -0.010 0.000 0.771 116 P CB 0.299 32.012 31.700 0.022 0.000 0.858 117 I N -0.546 119.987 120.570 -0.061 0.000 2.928 117 I HA 0.031 4.202 4.170 0.000 0.000 0.266 117 I C 0.306 176.266 176.117 -0.262 0.000 1.234 117 I CA 0.829 62.023 61.300 -0.176 0.000 1.483 117 I CB -0.474 37.386 38.000 -0.232 0.000 1.097 117 I HN 0.250 nan 8.210 nan 0.000 0.455 118 H N 2.927 121.983 119.070 -0.023 0.000 2.640 118 H HA 0.734 5.291 4.556 0.000 0.000 0.297 118 H C -0.449 174.867 175.328 -0.020 0.000 1.073 118 H CA -0.207 55.830 56.048 -0.017 0.000 1.305 118 H CB 1.243 30.999 29.762 -0.010 0.000 1.404 118 H HN 0.420 nan 8.280 nan 0.000 0.459 119 A N 3.584 126.439 122.820 0.058 0.000 2.498 119 A HA 0.330 4.650 4.320 0.000 0.000 0.298 119 A C -0.600 176.999 177.584 0.026 0.000 1.075 119 A CA -0.990 51.066 52.037 0.032 0.000 0.714 119 A CB 1.423 20.425 19.000 0.003 0.000 1.299 119 A HN 0.503 nan 8.150 nan 0.000 0.407 120 D N 2.636 123.049 120.400 0.021 0.000 2.382 120 D HA 0.367 5.007 4.640 0.000 0.000 0.245 120 D C -2.022 174.284 176.300 0.009 0.000 1.120 120 D CA -0.374 53.636 54.000 0.017 0.000 0.890 120 D CB 0.571 41.381 40.800 0.017 0.000 1.201 120 D HN 0.312 nan 8.370 nan 0.000 0.433 121 P HA 0.191 nan 4.420 nan 0.000 0.271 121 P C -2.512 174.794 177.300 0.011 0.000 1.218 121 P CA -1.120 61.982 63.100 0.004 0.000 0.780 121 P CB -0.347 31.359 31.700 0.011 0.000 0.901 122 P HA -0.050 nan 4.420 nan 0.000 0.264 122 P C 0.595 177.908 177.300 0.022 0.000 1.179 122 P CA 0.470 63.572 63.100 0.003 0.000 0.763 122 P CB 0.078 31.770 31.700 -0.014 0.000 0.806 123 S N 2.217 117.935 115.700 0.031 0.000 2.606 123 S HA 0.079 4.549 4.470 0.000 0.000 0.257 123 S C 1.013 175.668 174.600 0.092 0.000 1.327 123 S CA -0.362 57.880 58.200 0.069 0.000 0.984 123 S CB -0.110 63.131 63.200 0.069 0.000 0.941 123 S HN 0.395 nan 8.310 nan 0.000 0.576 124 F N 1.171 121.120 119.950 -0.001 0.000 2.171 124 F HA 0.019 4.546 4.527 0.000 0.000 0.300 124 F C 2.375 178.173 175.800 -0.003 0.000 1.090 124 F CA 1.538 59.537 58.000 -0.002 0.000 1.293 124 F CB -0.866 38.133 39.000 -0.002 0.000 1.013 124 F HN 0.690 nan 8.300 nan 0.000 0.486 125 A N -0.490 122.380 122.820 0.084 0.000 2.119 125 A HA -0.059 4.261 4.320 0.000 0.000 0.216 125 A C 1.873 179.414 177.584 -0.071 0.000 1.152 125 A CA 1.166 53.204 52.037 0.002 0.000 0.708 125 A CB -0.650 18.394 19.000 0.074 0.000 0.805 125 A HN 0.538 nan 8.150 nan 0.000 0.460 126 E N 0.213 120.374 120.200 -0.064 0.000 2.489 126 E HA 0.005 4.356 4.350 0.000 0.000 0.193 126 E C -0.099 176.443 176.600 -0.096 0.000 1.057 126 E CA -0.193 56.171 56.400 -0.061 0.000 0.866 126 E CB 0.148 29.830 29.700 -0.030 0.000 0.916 126 E HN 0.528 nan 8.360 nan 0.000 0.500 127 Q N 0.405 120.105 119.800 -0.167 0.000 2.352 127 Q HA 0.136 4.476 4.340 0.000 0.000 0.260 127 Q C -0.259 175.653 176.000 -0.147 0.000 0.976 127 Q CA 0.251 55.946 55.803 -0.179 0.000 0.881 127 Q CB 1.682 30.245 28.738 -0.292 0.000 1.235 127 Q HN -0.099 nan 8.270 nan 0.000 0.419 128 S N 1.624 117.261 115.700 -0.105 0.000 2.130 128 S HA 0.169 4.640 4.470 0.000 0.000 0.165 128 S C -0.562 173.997 174.600 -0.068 0.000 1.677 128 S CA -0.604 57.547 58.200 -0.081 0.000 1.227 128 S CB -0.031 63.134 63.200 -0.059 0.000 1.115 128 S HN 0.569 nan 8.310 nan 0.000 0.452 129 T N 1.704 116.212 114.554 -0.077 0.000 2.799 129 T HA 0.533 4.883 4.350 0.000 0.000 0.296 129 T C 0.413 175.089 174.700 -0.039 0.000 0.947 129 T CA -0.308 61.758 62.100 -0.057 0.000 1.141 129 T CB 0.748 69.580 68.868 -0.061 0.000 0.891 129 T HN 0.536 nan 8.240 nan 0.000 0.533 130 S N 1.533 117.216 115.700 -0.028 0.000 2.851 130 S HA 0.831 5.302 4.470 0.000 0.000 0.313 130 S C -0.420 174.173 174.600 -0.011 0.000 1.163 130 S CA -0.745 57.443 58.200 -0.019 0.000 0.850 130 S CB 1.493 64.682 63.200 -0.017 0.000 1.245 130 S HN 1.569 nan 8.310 nan 0.000 0.558 131 A N 0.257 123.073 122.820 -0.006 0.000 3.415 131 A HA 0.537 4.857 4.320 0.000 0.000 0.244 131 A C -0.464 177.122 177.584 0.004 0.000 0.988 131 A CA -0.380 51.657 52.037 0.000 0.000 0.991 131 A CB -0.042 18.957 19.000 -0.002 0.000 1.240 131 A HN 0.652 nan 8.150 nan 0.000 0.541 132 E N 0.627 120.832 120.200 0.008 0.000 2.191 132 E HA 0.411 4.762 4.350 0.000 0.000 0.278 132 E C -1.054 175.561 176.600 0.025 0.000 0.972 132 E CA -0.484 55.924 56.400 0.013 0.000 0.804 132 E CB 1.697 31.404 29.700 0.011 0.000 1.110 132 E HN 0.656 nan 8.360 nan 0.000 0.394 133 I N 5.233 125.819 120.570 0.028 0.000 2.315 133 I HA 0.135 4.305 4.170 0.000 0.000 0.291 133 I C -0.840 175.311 176.117 0.057 0.000 1.006 133 I CA -0.735 60.590 61.300 0.042 0.000 1.265 133 I CB 0.508 38.522 38.000 0.024 0.000 1.387 133 I HN 0.394 nan 8.210 nan 0.000 0.475 134 L N 8.260 129.534 121.223 0.085 0.000 2.363 134 L HA 0.277 4.617 4.340 0.000 0.000 0.286 134 L C 0.254 177.178 176.870 0.091 0.000 1.106 134 L CA 0.223 55.122 54.840 0.098 0.000 0.859 134 L CB 0.405 42.543 42.059 0.130 0.000 1.223 134 L HN 0.648 nan 8.230 nan 0.000 0.446 135 E N 2.420 122.659 120.200 0.064 0.000 2.328 135 E HA -0.005 4.345 4.350 0.000 0.000 0.265 135 E C 0.582 177.205 176.600 0.038 0.000 1.057 135 E CA 0.587 57.014 56.400 0.044 0.000 0.916 135 E CB 0.731 30.454 29.700 0.039 0.000 0.993 135 E HN 0.828 nan 8.360 nan 0.000 0.446 136 T N 1.075 115.634 114.554 0.008 0.000 3.042 136 T HA 0.253 4.603 4.350 0.000 0.000 0.245 136 T C 1.434 176.115 174.700 -0.032 0.000 1.029 136 T CA 0.438 62.537 62.100 -0.002 0.000 1.120 136 T CB 0.268 69.110 68.868 -0.042 0.000 0.917 136 T HN 0.707 nan 8.240 nan 0.000 0.467 137 G N 1.809 110.591 108.800 -0.030 0.000 2.157 137 G HA2 -0.160 3.800 3.960 0.000 0.000 0.239 137 G HA3 -0.160 3.800 3.960 0.000 0.000 0.239 137 G C 0.018 174.907 174.900 -0.018 0.000 0.982 137 G CA -0.016 45.070 45.100 -0.023 0.000 0.650 137 G HN 0.690 nan 8.290 nan 0.000 0.527 138 I N 1.132 121.684 120.570 -0.030 0.000 2.301 138 I HA 0.222 4.392 4.170 0.000 0.000 0.292 138 I C 1.668 177.794 176.117 0.015 0.000 1.046 138 I CA -0.667 60.651 61.300 0.031 0.000 1.282 138 I CB 1.052 39.078 38.000 0.044 0.000 1.409 138 I HN -0.007 nan 8.210 nan 0.000 0.484 139 K N 3.569 123.979 120.400 0.017 0.000 2.034 139 K HA -0.202 4.119 4.320 0.000 0.000 0.214 139 K C 1.870 178.429 176.600 -0.070 0.000 1.051 139 K CA 1.436 57.706 56.287 -0.029 0.000 0.931 139 K CB -0.137 32.346 32.500 -0.028 0.000 0.715 139 K HN 0.572 nan 8.250 nan 0.000 0.446 140 V N 1.021 120.925 119.914 -0.017 0.000 2.392 140 V HA -0.212 3.909 4.120 0.000 0.000 0.249 140 V C 2.013 178.081 176.094 -0.042 0.000 1.059 140 V CA 1.637 63.917 62.300 -0.034 0.000 1.051 140 V CB 0.006 31.865 31.823 0.060 0.000 0.658 140 V HN 0.143 nan 8.190 nan 0.000 0.455 141 V N 0.008 119.907 119.914 -0.024 0.000 2.346 141 V HA -0.114 4.006 4.120 0.000 0.000 0.244 141 V C 2.204 178.213 176.094 -0.141 0.000 1.037 141 V CA 2.109 64.334 62.300 -0.124 0.000 1.029 141 V CB -0.639 31.016 31.823 -0.280 0.000 0.663 141 V HN 0.543 nan 8.190 nan 0.000 0.454 142 D N -0.211 120.130 120.400 -0.098 0.000 2.269 142 D HA -0.084 4.557 4.640 0.000 0.000 0.208 142 D C 1.757 178.096 176.300 0.065 0.000 0.963 142 D CA 0.746 54.734 54.000 -0.020 0.000 0.864 142 D CB 0.025 40.820 40.800 -0.009 0.000 0.936 142 D HN 0.332 nan 8.370 nan 0.000 0.505 143 L N -0.501 120.690 121.223 -0.054 0.000 2.145 143 L HA 0.110 4.450 4.340 0.000 0.000 0.201 143 L C 1.709 178.589 176.870 0.016 0.000 1.075 143 L CA 1.318 56.096 54.840 -0.103 0.000 0.773 143 L CB -0.014 41.813 42.059 -0.386 0.000 0.936 143 L HN -0.037 nan 8.230 nan 0.000 0.451 144 L N -1.127 120.058 121.223 -0.063 0.000 2.388 144 L HA 0.379 4.719 4.340 0.000 0.000 0.209 144 L C 0.767 177.621 176.870 -0.028 0.000 1.061 144 L CA 0.488 55.289 54.840 -0.065 0.000 0.834 144 L CB -0.121 41.880 42.059 -0.098 0.000 1.029 144 L HN 0.171 nan 8.230 nan 0.000 0.473 145 A N 0.966 123.780 122.820 -0.010 0.000 3.266 145 A HA 0.473 4.793 4.320 0.000 0.000 0.310 145 A C -2.629 174.980 177.584 0.041 0.000 1.066 145 A CA -0.999 51.057 52.037 0.032 0.000 0.839 145 A CB -0.191 18.851 19.000 0.070 0.000 1.192 145 A HN -0.134 nan 8.150 nan 0.000 0.496 146 P HA 0.163 nan 4.420 nan 0.000 0.271 146 P C -0.930 176.468 177.300 0.163 0.000 1.216 146 P CA 0.269 63.374 63.100 0.010 0.000 0.776 146 P CB 0.563 32.265 31.700 0.004 0.000 0.881 147 Y N 0.760 121.090 120.300 0.050 0.000 2.309 147 Y HA 0.398 4.948 4.550 0.000 0.000 0.327 147 Y C 1.210 177.124 175.900 0.024 0.000 1.172 147 Y CA -1.361 56.764 58.100 0.042 0.000 1.280 147 Y CB 0.045 38.540 38.460 0.058 0.000 1.234 147 Y HN 0.416 nan 8.280 nan 0.000 0.512 148 A N 4.271 127.189 122.820 0.164 0.000 2.302 148 A HA 0.606 4.926 4.320 0.000 0.000 0.285 148 A C 0.078 177.694 177.584 0.054 0.000 1.105 148 A CA -0.830 51.254 52.037 0.079 0.000 0.816 148 A CB 0.442 19.466 19.000 0.040 0.000 1.067 148 A HN 0.819 nan 8.150 nan 0.000 0.489 149 R N 0.226 120.749 120.500 0.039 0.000 2.297 149 R HA 0.477 4.817 4.340 0.000 0.000 0.308 149 R C 1.111 177.412 176.300 0.001 0.000 1.029 149 R CA 1.141 57.255 56.100 0.023 0.000 0.929 149 R CB 0.627 30.948 30.300 0.036 0.000 1.046 149 R HN 1.567 nan 8.270 nan 0.000 0.461 150 G N 2.232 111.020 108.800 -0.019 0.000 2.225 150 G HA2 -0.254 3.706 3.960 0.000 0.000 0.254 150 G HA3 -0.254 3.706 3.960 0.000 0.000 0.254 150 G C 0.361 175.234 174.900 -0.045 0.000 0.988 150 G CA -0.069 45.012 45.100 -0.032 0.000 0.625 150 G HN 0.903 nan 8.290 nan 0.000 0.527 151 G N -0.159 108.614 108.800 -0.044 0.000 2.539 151 G HA2 0.525 4.485 3.960 0.000 0.000 0.258 151 G HA3 0.525 4.485 3.960 0.000 0.000 0.258 151 G C -0.116 174.727 174.900 -0.094 0.000 1.202 151 G CA -0.322 44.747 45.100 -0.052 0.000 0.851 151 G HN 0.397 nan 8.290 nan 0.000 0.556 152 K N 0.191 120.540 120.400 -0.085 0.000 2.211 152 K HA 0.464 4.784 4.320 0.000 0.000 0.275 152 K C -0.579 175.939 176.600 -0.136 0.000 1.024 152 K CA -0.074 56.146 56.287 -0.111 0.000 0.887 152 K CB 1.420 33.880 32.500 -0.066 0.000 1.084 152 K HN 0.303 nan 8.250 nan 0.000 0.463 153 I N 1.208 121.649 120.570 -0.215 0.000 2.545 153 I HA 0.398 4.569 4.170 0.000 0.000 0.292 153 I C 0.092 176.064 176.117 -0.241 0.000 1.040 153 I CA -0.844 60.273 61.300 -0.305 0.000 1.068 153 I CB 2.357 39.980 38.000 -0.629 0.000 1.251 153 I HN 0.604 nan 8.210 nan 0.000 0.424 154 G N 5.969 114.666 108.800 -0.171 0.000 2.530 154 G HA2 0.705 4.665 3.960 0.000 0.000 0.316 154 G HA3 0.705 4.665 3.960 0.000 0.000 0.316 154 G C -1.058 173.745 174.900 -0.162 0.000 1.298 154 G CA -0.523 44.455 45.100 -0.204 0.000 0.948 154 G HN 0.448 nan 8.290 nan 0.000 0.486 155 L N 2.397 123.478 121.223 -0.236 0.000 2.287 155 L HA 0.389 4.729 4.340 0.000 0.000 0.280 155 L C -0.723 176.021 176.870 -0.210 0.000 1.055 155 L CA -0.537 54.198 54.840 -0.175 0.000 0.863 155 L CB 0.468 42.447 42.059 -0.132 0.000 1.245 155 L HN 0.349 nan 8.230 nan 0.000 0.432 156 F N 1.682 121.543 119.950 -0.149 0.000 2.411 156 F HA 0.692 5.220 4.527 0.000 0.000 0.350 156 F C 0.980 176.727 175.800 -0.088 0.000 1.114 156 F CA -0.098 57.819 58.000 -0.137 0.000 1.135 156 F CB 1.773 40.674 39.000 -0.164 0.000 1.120 156 F HN 0.422 nan 8.300 nan 0.000 0.495 157 G N 1.595 110.435 108.800 0.067 0.000 2.556 157 G HA2 0.468 4.428 3.960 0.000 0.000 0.294 157 G HA3 0.468 4.428 3.960 0.000 0.000 0.294 157 G C -0.850 173.998 174.900 -0.086 0.000 1.516 157 G CA -0.449 44.664 45.100 0.022 0.000 0.824 157 G HN 0.897 nan 8.290 nan 0.000 0.535 158 G N -0.485 108.253 108.800 -0.104 0.000 2.621 158 G HA2 0.671 4.631 3.960 0.000 0.000 0.271 158 G HA3 0.671 4.631 3.960 0.000 0.000 0.271 158 G C 0.832 175.732 174.900 0.000 0.000 1.236 158 G CA 0.412 45.394 45.100 -0.197 0.000 0.958 158 G HN 1.790 nan 8.290 nan 0.000 0.512 159 A N -1.103 121.791 122.820 0.123 0.000 2.580 159 A HA 0.475 4.796 4.320 0.000 0.000 0.244 159 A C 1.648 179.312 177.584 0.133 0.000 1.045 159 A CA 1.316 53.493 52.037 0.234 0.000 0.761 159 A CB -0.766 18.383 19.000 0.248 0.000 0.962 159 A HN 2.620 nan 8.150 nan 0.000 0.512 160 G N 0.740 109.618 108.800 0.130 0.000 2.143 160 G HA2 -0.192 3.769 3.960 0.000 0.000 0.248 160 G HA3 -0.192 3.769 3.960 0.000 0.000 0.248 160 G C 0.796 175.760 174.900 0.107 0.000 0.991 160 G CA 0.815 45.972 45.100 0.095 0.000 0.689 160 G HN 2.189 nan 8.290 nan 0.000 0.522 161 V N -3.491 116.497 119.914 0.123 0.000 3.052 161 V HA 0.625 4.745 4.120 0.000 0.000 0.254 161 V C 1.805 178.034 176.094 0.224 0.000 1.100 161 V CA 1.692 64.083 62.300 0.152 0.000 1.112 161 V CB 0.320 32.202 31.823 0.098 0.000 0.738 161 V HN 2.078 nan 8.190 nan 0.000 0.469 162 G N -0.042 108.877 108.800 0.197 0.000 2.507 162 G HA2 -0.145 3.815 3.960 0.000 0.000 0.205 162 G HA3 -0.145 3.815 3.960 0.000 0.000 0.205 162 G C 0.608 175.677 174.900 0.282 0.000 0.996 162 G CA 0.143 45.391 45.100 0.247 0.000 0.776 162 G HN 0.397 nan 8.290 nan 0.000 0.532 163 K N 0.122 120.646 120.400 0.205 0.000 2.034 163 K HA -0.146 4.175 4.320 0.000 0.000 0.214 163 K C 2.424 179.173 176.600 0.249 0.000 1.051 163 K CA 2.090 58.489 56.287 0.188 0.000 0.931 163 K CB -0.370 32.205 32.500 0.126 0.000 0.715 163 K HN 0.286 nan 8.250 nan 0.000 0.446 164 T N 1.024 115.710 114.554 0.220 0.000 2.777 164 T HA -0.073 4.277 4.350 0.000 0.000 0.266 164 T C 2.066 176.905 174.700 0.231 0.000 1.040 164 T CA 1.096 63.327 62.100 0.218 0.000 1.141 164 T CB -0.108 68.871 68.868 0.185 0.000 0.868 164 T HN -0.038 nan 8.240 nan 0.000 0.444 165 V N 0.845 120.908 119.914 0.249 0.000 2.490 165 V HA -0.096 4.024 4.120 0.000 0.000 0.250 165 V C 1.956 178.233 176.094 0.305 0.000 1.061 165 V CA 1.376 63.838 62.300 0.270 0.000 1.064 165 V CB -0.680 31.314 31.823 0.285 0.000 0.670 165 V HN 0.377 nan 8.190 nan 0.000 0.461 166 F N 0.021 120.118 119.950 0.244 0.000 2.084 166 F HA -0.138 4.389 4.527 0.000 0.000 0.296 166 F C 2.162 178.020 175.800 0.096 0.000 1.111 166 F CA 1.755 59.891 58.000 0.227 0.000 1.224 166 F CB -0.205 38.965 39.000 0.283 0.000 0.991 166 F HN 0.004 nan 8.300 nan 0.000 0.471 167 I N 0.022 120.834 120.570 0.403 0.000 2.208 167 I HA -0.377 3.793 4.170 0.000 0.000 0.245 167 I C 2.293 178.456 176.117 0.077 0.000 1.097 167 I CA 1.525 62.993 61.300 0.280 0.000 1.363 167 I CB -0.343 37.831 38.000 0.290 0.000 1.051 167 I HN 0.296 nan 8.210 nan 0.000 0.413 168 Q N -0.160 119.677 119.800 0.061 0.000 2.152 168 Q HA -0.318 4.023 4.340 0.000 0.000 0.206 168 Q C 1.976 177.901 176.000 -0.124 0.000 0.985 168 Q CA 2.061 57.837 55.803 -0.044 0.000 0.863 168 Q CB -0.111 28.637 28.738 0.016 0.000 0.904 168 Q HN 0.453 nan 8.270 nan 0.000 0.422 169 E N 0.577 120.667 120.200 -0.183 0.000 2.152 169 E HA -0.105 4.246 4.350 0.000 0.000 0.192 169 E C 1.698 178.106 176.600 -0.320 0.000 0.983 169 E CA 0.635 56.803 56.400 -0.388 0.000 0.818 169 E CB -0.035 29.091 29.700 -0.957 0.000 0.758 169 E HN 0.285 nan 8.360 nan 0.000 0.467 170 L N 0.065 121.174 121.223 -0.191 0.000 2.027 170 L HA -0.114 4.226 4.340 0.000 0.000 0.206 170 L C 2.437 179.279 176.870 -0.047 0.000 1.074 170 L CA 1.032 55.860 54.840 -0.020 0.000 0.745 170 L CB -0.436 41.766 42.059 0.239 0.000 0.898 170 L HN 0.198 nan 8.230 nan 0.000 0.433 171 I N 0.240 120.645 120.570 -0.274 0.000 2.118 171 I HA -0.387 3.783 4.170 0.000 0.000 0.241 171 I C 2.397 178.409 176.117 -0.175 0.000 1.070 171 I CA 1.832 62.880 61.300 -0.420 0.000 1.327 171 I CB -0.530 37.110 38.000 -0.601 0.000 1.034 171 I HN 0.389 nan 8.210 nan 0.000 0.405 172 N N 1.251 119.854 118.700 -0.162 0.000 2.094 172 N HA -0.224 4.517 4.740 0.000 0.000 0.191 172 N C 1.456 176.920 175.510 -0.077 0.000 1.023 172 N CA 2.106 55.087 53.050 -0.114 0.000 0.857 172 N CB -0.135 38.277 38.487 -0.126 0.000 1.013 172 N HN 0.303 nan 8.380 nan 0.000 0.426 173 N N -0.558 118.094 118.700 -0.080 0.000 2.305 173 N HA 0.047 4.787 4.740 0.000 0.000 0.179 173 N C 1.382 176.899 175.510 0.011 0.000 1.019 173 N CA 0.655 53.678 53.050 -0.046 0.000 0.869 173 N CB -0.066 38.374 38.487 -0.078 0.000 1.000 173 N HN 0.267 nan 8.380 nan 0.000 0.431 174 I N 1.076 121.675 120.570 0.048 0.000 2.339 174 I HA 0.103 4.273 4.170 0.000 0.000 0.245 174 I C 2.292 178.476 176.117 0.113 0.000 1.096 174 I CA 0.426 61.785 61.300 0.099 0.000 1.408 174 I CB -1.696 36.396 38.000 0.153 0.000 1.092 174 I HN -0.045 nan 8.210 nan 0.000 0.423 175 A N 1.524 124.412 122.820 0.113 0.000 1.883 175 A HA -0.232 4.088 4.320 0.000 0.000 0.217 175 A C 2.387 180.046 177.584 0.125 0.000 1.186 175 A CA 1.873 53.986 52.037 0.127 0.000 0.624 175 A CB -0.582 18.474 19.000 0.094 0.000 0.822 175 A HN 0.381 nan 8.150 nan 0.000 0.444 176 K N -0.531 119.912 120.400 0.071 0.000 2.025 176 K HA 0.023 4.344 4.320 0.000 0.000 0.207 176 K C 1.733 178.368 176.600 0.059 0.000 1.049 176 K CA 1.030 57.348 56.287 0.052 0.000 0.933 176 K CB -0.280 32.231 32.500 0.018 0.000 0.714 176 K HN 0.390 nan 8.250 nan 0.000 0.438 177 A N 1.526 124.386 122.820 0.066 0.000 2.281 177 A HA -0.060 4.261 4.320 0.000 0.000 0.231 177 A C -0.167 177.479 177.584 0.103 0.000 1.317 177 A CA 0.246 52.320 52.037 0.061 0.000 0.959 177 A CB -0.664 18.366 19.000 0.049 0.000 0.900 177 A HN 0.274 nan 8.150 nan 0.000 0.497 178 H N -1.525 117.541 119.070 -0.007 0.000 2.600 178 H HA 0.390 4.946 4.556 0.000 0.000 0.357 178 H C 1.114 176.405 175.328 -0.062 0.000 1.106 178 H CA 0.222 56.256 56.048 -0.023 0.000 1.193 178 H CB 1.905 31.669 29.762 0.003 0.000 1.594 178 H HN 0.150 nan 8.280 nan 0.000 0.526 179 G N 2.999 111.442 108.800 -0.594 0.000 2.403 179 G HA2 -0.070 3.890 3.960 0.000 0.000 0.216 179 G HA3 -0.070 3.890 3.960 0.000 0.000 0.216 179 G C 0.913 175.514 174.900 -0.497 0.000 1.154 179 G CA 0.596 45.428 45.100 -0.448 0.000 0.784 179 G HN 0.639 nan 8.290 nan 0.000 0.538 180 G N -0.530 107.875 108.800 -0.658 0.000 2.546 180 G HA2 0.447 4.407 3.960 0.000 0.000 0.239 180 G HA3 0.447 4.407 3.960 0.000 0.000 0.239 180 G C -0.695 173.938 174.900 -0.445 0.000 1.476 180 G CA -0.662 44.117 45.100 -0.536 0.000 1.064 180 G HN 0.046 nan 8.290 nan 0.000 0.561 181 F N -1.110 118.782 119.950 -0.097 0.000 2.523 181 F HA 0.663 5.190 4.527 0.000 0.000 0.329 181 F C 0.554 176.301 175.800 -0.088 0.000 1.061 181 F CA -0.921 56.941 58.000 -0.229 0.000 0.967 181 F CB 2.113 40.637 39.000 -0.794 0.000 1.218 181 F HN 0.156 nan 8.300 nan 0.000 0.480 182 S N 0.514 116.337 115.700 0.206 0.000 2.503 182 S HA 0.771 5.241 4.470 0.000 0.000 0.301 182 S C -1.075 173.681 174.600 0.260 0.000 1.087 182 S CA -0.691 57.645 58.200 0.226 0.000 1.042 182 S CB 1.994 65.376 63.200 0.304 0.000 1.043 182 S HN 0.297 nan 8.310 nan 0.000 0.489 183 V N 3.412 123.486 119.914 0.267 0.000 2.495 183 V HA 0.548 4.668 4.120 0.000 0.000 0.298 183 V C -1.075 175.177 176.094 0.263 0.000 1.031 183 V CA -0.705 61.740 62.300 0.241 0.000 0.871 183 V CB 1.330 33.265 31.823 0.188 0.000 0.988 183 V HN 0.822 nan 8.190 nan 0.000 0.432 184 F N 3.457 123.448 119.950 0.068 0.000 2.467 184 F HA 0.706 5.233 4.527 0.000 0.000 0.336 184 F C 0.127 175.833 175.800 -0.156 0.000 1.123 184 F CA -0.075 57.946 58.000 0.035 0.000 0.964 184 F CB 1.817 40.829 39.000 0.020 0.000 1.136 184 F HN 0.484 nan 8.300 nan 0.000 0.447 185 T N 4.613 118.774 114.554 -0.656 0.000 2.779 185 T HA 0.569 4.919 4.350 0.000 0.000 0.280 185 T C 0.027 174.353 174.700 -0.624 0.000 0.987 185 T CA -0.665 61.127 62.100 -0.514 0.000 0.966 185 T CB 1.374 70.059 68.868 -0.305 0.000 0.933 185 T HN 0.880 nan 8.240 nan 0.000 0.442 186 G N 1.626 110.283 108.800 -0.238 0.000 2.329 186 G HA2 0.538 4.498 3.960 0.000 0.000 0.309 186 G HA3 0.538 4.498 3.960 0.000 0.000 0.309 186 G C -0.689 174.309 174.900 0.163 0.000 1.110 186 G CA -0.469 44.765 45.100 0.224 0.000 0.923 186 G HN 0.669 nan 8.290 nan 0.000 0.430 187 V N 2.472 122.435 119.914 0.081 0.000 2.349 187 V HA 0.613 4.733 4.120 0.000 0.000 0.284 187 V C 1.008 177.151 176.094 0.082 0.000 1.014 187 V CA 0.145 62.484 62.300 0.064 0.000 0.826 187 V CB 0.794 32.628 31.823 0.018 0.000 1.009 187 V HN 1.416 nan 8.190 nan 0.000 0.431 188 G N 3.264 112.114 108.800 0.082 0.000 2.273 188 G HA2 -0.181 3.780 3.960 0.000 0.000 0.280 188 G HA3 -0.181 3.780 3.960 0.000 0.000 0.280 188 G C 0.124 175.063 174.900 0.065 0.000 1.047 188 G CA 0.459 45.594 45.100 0.058 0.000 0.869 188 G HN 0.585 nan 8.290 nan 0.000 0.502 189 E N -0.711 119.543 120.200 0.092 0.000 2.808 189 E HA 0.476 4.826 4.350 0.000 0.000 0.213 189 E C 0.891 177.527 176.600 0.061 0.000 0.784 189 E CA -0.807 55.646 56.400 0.088 0.000 1.154 189 E CB 0.524 30.307 29.700 0.138 0.000 1.693 189 E HN 0.388 nan 8.360 nan 0.000 0.422 190 R N 0.314 120.849 120.500 0.059 0.000 2.297 190 R HA 0.296 4.636 4.340 0.000 0.000 0.308 190 R C 1.077 177.366 176.300 -0.018 0.000 1.029 190 R CA -0.073 56.040 56.100 0.023 0.000 0.929 190 R CB 0.712 31.030 30.300 0.030 0.000 1.046 190 R HN 0.379 nan 8.270 nan 0.000 0.461 191 T N 2.921 117.448 114.554 -0.046 0.000 2.684 191 T HA -0.192 4.158 4.350 0.000 0.000 0.267 191 T C 1.746 176.372 174.700 -0.124 0.000 1.036 191 T CA 1.836 63.870 62.100 -0.110 0.000 1.148 191 T CB -0.074 68.742 68.868 -0.087 0.000 0.863 191 T HN 0.629 nan 8.240 nan 0.000 0.436 192 R N 1.504 121.966 120.500 -0.063 0.000 2.200 192 R HA -0.032 4.308 4.340 0.000 0.000 0.234 192 R C 1.975 178.249 176.300 -0.045 0.000 1.127 192 R CA 1.635 57.706 56.100 -0.047 0.000 0.989 192 R CB -0.386 29.905 30.300 -0.015 0.000 0.869 192 R HN 0.419 nan 8.270 nan 0.000 0.459 193 E N 0.627 120.808 120.200 -0.032 0.000 2.072 193 E HA -0.092 4.259 4.350 0.000 0.000 0.191 193 E C 2.181 178.750 176.600 -0.052 0.000 0.985 193 E CA 1.147 57.548 56.400 0.000 0.000 0.801 193 E CB -0.198 29.542 29.700 0.066 0.000 0.750 193 E HN 0.644 nan 8.360 nan 0.000 0.452 194 G N 1.031 109.705 108.800 -0.210 0.000 2.422 194 G HA2 -0.338 3.622 3.960 0.000 0.000 0.218 194 G HA3 -0.338 3.622 3.960 0.000 0.000 0.218 194 G C 1.409 176.147 174.900 -0.271 0.000 1.146 194 G CA 1.029 45.812 45.100 -0.528 0.000 0.769 194 G HN 0.190 nan 8.290 nan 0.000 0.547 195 N N 0.685 119.279 118.700 -0.176 0.000 2.069 195 N HA -0.114 4.626 4.740 0.000 0.000 0.191 195 N C 1.753 177.274 175.510 0.018 0.000 1.031 195 N CA 1.725 54.751 53.050 -0.039 0.000 0.852 195 N CB -0.124 38.339 38.487 -0.039 0.000 1.018 195 N HN 0.147 nan 8.380 nan 0.000 0.423 196 D N 0.092 120.485 120.400 -0.012 0.000 2.087 196 D HA -0.160 4.480 4.640 0.000 0.000 0.192 196 D C 1.972 178.270 176.300 -0.005 0.000 0.993 196 D CA 0.769 54.765 54.000 -0.006 0.000 0.828 196 D CB -0.639 40.158 40.800 -0.004 0.000 0.968 196 D HN 0.219 nan 8.370 nan 0.000 0.448 197 L N 0.225 121.441 121.223 -0.012 0.000 1.990 197 L HA -0.242 4.099 4.340 0.000 0.000 0.213 197 L C 2.348 179.250 176.870 0.054 0.000 1.072 197 L CA 1.538 56.353 54.840 -0.042 0.000 0.755 197 L CB -0.822 41.152 42.059 -0.141 0.000 0.889 197 L HN 0.046 nan 8.230 nan 0.000 0.432 198 Y N 0.462 120.744 120.300 -0.029 0.000 2.069 198 Y HA -0.349 4.201 4.550 0.000 0.000 0.278 198 Y C 2.952 178.837 175.900 -0.024 0.000 1.175 198 Y CA 2.331 60.431 58.100 -0.001 0.000 1.134 198 Y CB -0.496 37.972 38.460 0.015 0.000 0.965 198 Y HN 0.217 nan 8.280 nan 0.000 0.498 199 R N 0.085 120.567 120.500 -0.030 0.000 2.081 199 R HA -0.180 4.160 4.340 0.000 0.000 0.235 199 R C 2.306 178.541 176.300 -0.110 0.000 1.131 199 R CA 1.837 57.867 56.100 -0.117 0.000 0.960 199 R CB -0.294 29.971 30.300 -0.058 0.000 0.856 199 R HN 0.464 nan 8.270 nan 0.000 0.436 200 E N -0.171 119.984 120.200 -0.074 0.000 2.012 200 E HA -0.237 4.114 4.350 0.000 0.000 0.197 200 E C 2.111 178.659 176.600 -0.086 0.000 1.007 200 E CA 1.954 58.307 56.400 -0.077 0.000 0.816 200 E CB -0.025 29.629 29.700 -0.075 0.000 0.762 200 E HN 0.292 nan 8.360 nan 0.000 0.451 201 M N 0.617 120.169 119.600 -0.081 0.000 2.089 201 M HA -0.247 4.233 4.480 0.000 0.000 0.257 201 M C 2.065 178.313 176.300 -0.086 0.000 1.071 201 M CA 1.680 56.940 55.300 -0.068 0.000 1.096 201 M CB -0.954 31.632 32.600 -0.023 0.000 1.330 201 M HN 0.037 nan 8.290 nan 0.000 0.403 202 K N 0.246 120.554 120.400 -0.153 0.000 2.147 202 K HA -0.149 4.171 4.320 0.000 0.000 0.205 202 K C 1.799 178.330 176.600 -0.115 0.000 1.049 202 K CA 1.284 57.467 56.287 -0.174 0.000 0.936 202 K CB -0.092 32.227 32.500 -0.302 0.000 0.722 202 K HN 0.506 nan 8.250 nan 0.000 0.446 203 E N -0.515 119.624 120.200 -0.102 0.000 2.340 203 E HA -0.022 4.328 4.350 0.000 0.000 0.194 203 E C 1.357 177.922 176.600 -0.059 0.000 0.996 203 E CA 0.696 57.050 56.400 -0.076 0.000 0.869 203 E CB 0.412 30.068 29.700 -0.073 0.000 0.835 203 E HN 0.191 nan 8.360 nan 0.000 0.493 204 T N -0.818 113.700 114.554 -0.059 0.000 3.055 204 T HA 0.065 4.415 4.350 0.000 0.000 0.265 204 T C 1.506 176.185 174.700 -0.034 0.000 1.111 204 T CA 0.726 62.798 62.100 -0.046 0.000 1.118 204 T CB 0.274 69.113 68.868 -0.049 0.000 0.909 204 T HN 0.391 nan 8.240 nan 0.000 0.501 205 G N 0.690 109.468 108.800 -0.037 0.000 2.176 205 G HA2 -0.293 3.667 3.960 0.000 0.000 0.253 205 G HA3 -0.293 3.667 3.960 0.000 0.000 0.253 205 G C 0.997 175.892 174.900 -0.009 0.000 0.979 205 G CA 0.245 45.331 45.100 -0.024 0.000 0.641 205 G HN 0.460 nan 8.290 nan 0.000 0.530 206 V N 0.334 120.242 119.914 -0.010 0.000 2.809 206 V HA 0.249 4.369 4.120 0.000 0.000 0.256 206 V C 1.505 177.615 176.094 0.026 0.000 1.080 206 V CA 1.488 63.796 62.300 0.012 0.000 1.102 206 V CB -0.088 31.737 31.823 0.004 0.000 0.705 206 V HN 0.491 nan 8.190 nan 0.000 0.475 207 I N 1.002 121.575 120.570 0.006 0.000 2.404 207 I HA 0.361 4.532 4.170 0.000 0.000 0.293 207 I C -0.438 175.675 176.117 -0.008 0.000 0.992 207 I CA -0.363 60.947 61.300 0.018 0.000 1.149 207 I CB 1.744 39.763 38.000 0.031 0.000 1.315 207 I HN 0.107 nan 8.210 nan 0.000 0.446 208 N N 6.580 125.285 118.700 0.009 0.000 2.531 208 N HA 0.328 5.068 4.740 0.000 0.000 0.268 208 N C 0.274 175.789 175.510 0.008 0.000 1.023 208 N CA -0.456 52.593 53.050 -0.001 0.000 0.896 208 N CB 1.180 39.672 38.487 0.007 0.000 1.233 208 N HN 0.572 nan 8.380 nan 0.000 0.512 209 L N 0.736 121.958 121.223 -0.003 0.000 2.265 209 L HA 0.032 4.372 4.340 0.000 0.000 0.215 209 L C 0.309 177.188 176.870 0.014 0.000 1.117 209 L CA 0.988 55.835 54.840 0.012 0.000 0.782 209 L CB 0.029 42.090 42.059 0.003 0.000 0.914 209 L HN 0.527 nan 8.230 nan 0.000 0.441 210 E N 0.151 120.356 120.200 0.007 0.000 3.167 210 E HA 0.488 4.838 4.350 0.000 0.000 0.212 210 E C -0.214 176.392 176.600 0.010 0.000 1.143 210 E CA -0.043 56.363 56.400 0.009 0.000 1.002 210 E CB 0.580 30.284 29.700 0.006 0.000 1.315 210 E HN 0.220 nan 8.360 nan 0.000 0.422 211 G N 1.093 109.902 108.800 0.015 0.000 2.327 211 G HA2 0.098 4.058 3.960 0.000 0.000 0.291 211 G HA3 0.098 4.058 3.960 0.000 0.000 0.291 211 G C -1.239 173.675 174.900 0.023 0.000 1.290 211 G CA -0.978 44.132 45.100 0.018 0.000 0.857 211 G HN 0.094 nan 8.290 nan 0.000 0.520 212 E N -0.079 120.138 120.200 0.029 0.000 2.392 212 E HA 0.599 4.949 4.350 0.000 0.000 0.259 212 E C -0.252 176.373 176.600 0.041 0.000 1.108 212 E CA -0.063 56.358 56.400 0.036 0.000 0.916 212 E CB 1.290 31.022 29.700 0.054 0.000 0.989 212 E HN 0.447 nan 8.360 nan 0.000 0.432 213 S N 0.646 116.370 115.700 0.039 0.000 2.549 213 S HA 0.304 4.775 4.470 0.000 0.000 0.280 213 S C 0.398 175.038 174.600 0.067 0.000 1.109 213 S CA -0.906 57.324 58.200 0.050 0.000 0.905 213 S CB 1.894 65.121 63.200 0.044 0.000 1.081 213 S HN 0.325 nan 8.310 nan 0.000 0.477 214 K N 0.469 120.935 120.400 0.110 0.000 2.374 214 K HA 0.267 4.587 4.320 0.000 0.000 0.196 214 K C -0.149 176.551 176.600 0.167 0.000 1.023 214 K CA 0.302 56.711 56.287 0.203 0.000 1.103 214 K CB 0.719 33.337 32.500 0.196 0.000 0.848 214 K HN 0.338 nan 8.250 nan 0.000 0.528 215 V N 0.646 120.625 119.914 0.108 0.000 2.686 215 V HA 0.605 4.726 4.120 0.000 0.000 0.306 215 V C -1.627 174.538 176.094 0.119 0.000 1.065 215 V CA -0.820 61.558 62.300 0.131 0.000 0.894 215 V CB 1.727 33.632 31.823 0.137 0.000 1.004 215 V HN 0.157 nan 8.190 nan 0.000 0.424 216 A N 6.969 129.880 122.820 0.152 0.000 2.312 216 A HA 0.900 5.220 4.320 0.000 0.000 0.326 216 A C -0.989 176.652 177.584 0.095 0.000 1.172 216 A CA -0.590 51.521 52.037 0.125 0.000 0.821 216 A CB 0.894 19.988 19.000 0.157 0.000 1.166 216 A HN 0.903 nan 8.150 nan 0.000 0.493 217 L N 2.350 123.590 121.223 0.028 0.000 2.341 217 L HA 0.600 4.940 4.340 0.000 0.000 0.278 217 L C -0.796 175.965 176.870 -0.182 0.000 1.005 217 L CA -0.804 53.981 54.840 -0.092 0.000 0.818 217 L CB 1.924 43.928 42.059 -0.092 0.000 1.259 217 L HN 0.403 nan 8.230 nan 0.000 0.418 218 V N 3.024 122.752 119.914 -0.311 0.000 2.495 218 V HA 0.523 4.643 4.120 0.000 0.000 0.298 218 V C -0.851 175.003 176.094 -0.399 0.000 1.031 218 V CA -0.443 61.715 62.300 -0.237 0.000 0.871 218 V CB 1.811 33.545 31.823 -0.147 0.000 0.988 218 V HN 0.375 nan 8.190 nan 0.000 0.432 219 F N 1.921 121.893 119.950 0.037 0.000 2.556 219 F HA 0.790 5.317 4.527 0.000 0.000 0.314 219 F C 0.579 176.390 175.800 0.018 0.000 1.106 219 F CA -0.858 57.167 58.000 0.043 0.000 0.911 219 F CB 2.569 41.592 39.000 0.039 0.000 1.190 219 F HN 0.532 nan 8.300 nan 0.000 0.448 220 G N 3.600 112.551 108.800 0.252 0.000 3.582 220 G HA2 0.329 4.289 3.960 0.000 0.000 0.302 220 G HA3 0.329 4.289 3.960 0.000 0.000 0.302 220 G C -0.916 174.059 174.900 0.124 0.000 1.418 220 G CA -0.497 44.684 45.100 0.135 0.000 0.718 220 G HN 0.288 nan 8.290 nan 0.000 0.479 221 Q N 0.878 120.746 119.800 0.113 0.000 2.316 221 Q HA 0.246 4.586 4.340 0.000 0.000 0.215 221 Q C 1.982 178.008 176.000 0.045 0.000 1.020 221 Q CA -0.752 55.101 55.803 0.083 0.000 0.970 221 Q CB 1.010 29.771 28.738 0.038 0.000 1.187 221 Q HN 0.720 nan 8.270 nan 0.000 0.546 222 M N -0.158 119.462 119.600 0.033 0.000 2.706 222 M HA -0.090 4.391 4.480 0.000 0.000 0.251 222 M C 0.704 177.009 176.300 0.009 0.000 1.070 222 M CA 1.265 56.575 55.300 0.017 0.000 1.073 222 M CB -0.347 32.260 32.600 0.012 0.000 1.449 222 M HN 0.396 nan 8.290 nan 0.000 0.531 223 N N 0.754 119.459 118.700 0.007 0.000 2.457 223 N HA -0.024 4.716 4.740 0.000 0.000 0.180 223 N C -0.251 175.262 175.510 0.005 0.000 1.050 223 N CA 0.390 53.441 53.050 0.002 0.000 0.906 223 N CB -0.187 38.298 38.487 -0.003 0.000 0.968 223 N HN 0.616 nan 8.380 nan 0.000 0.445 224 E N 1.968 122.174 120.200 0.010 0.000 2.283 224 E HA 0.318 4.669 4.350 0.000 0.000 0.271 224 E C -2.237 174.366 176.600 0.005 0.000 1.031 224 E CA -2.052 54.355 56.400 0.011 0.000 0.868 224 E CB 1.121 30.833 29.700 0.020 0.000 1.094 224 E HN 0.196 nan 8.360 nan 0.000 0.401 225 P HA 0.046 nan 4.420 nan 0.000 0.272 225 P C -2.248 175.047 177.300 -0.008 0.000 1.240 225 P CA -1.191 61.907 63.100 -0.002 0.000 0.791 225 P CB 0.209 31.909 31.700 -0.000 0.000 0.978 226 P HA -0.213 nan 4.420 nan 0.000 0.215 226 P C 1.750 179.033 177.300 -0.029 0.000 1.163 226 P CA 2.338 65.418 63.100 -0.034 0.000 0.894 226 P CB -0.714 30.961 31.700 -0.041 0.000 0.791 227 G N 0.057 108.848 108.800 -0.015 0.000 2.529 227 G HA2 -0.338 3.622 3.960 0.000 0.000 0.219 227 G HA3 -0.338 3.622 3.960 0.000 0.000 0.219 227 G C 1.691 176.597 174.900 0.009 0.000 1.177 227 G CA 1.551 46.650 45.100 -0.002 0.000 0.773 227 G HN 0.384 nan 8.290 nan 0.000 0.573 228 A N 0.767 123.594 122.820 0.012 0.000 1.859 228 A HA -0.127 4.193 4.320 0.000 0.000 0.217 228 A C 2.453 180.052 177.584 0.024 0.000 1.198 228 A CA 2.114 54.163 52.037 0.020 0.000 0.629 228 A CB -0.538 18.475 19.000 0.020 0.000 0.830 228 A HN 0.357 nan 8.150 nan 0.000 0.446 229 R N -0.705 119.805 120.500 0.016 0.000 2.189 229 R HA 0.044 4.384 4.340 0.000 0.000 0.223 229 R C 2.026 178.347 176.300 0.034 0.000 1.092 229 R CA 0.908 57.022 56.100 0.023 0.000 0.989 229 R CB -0.346 29.956 30.300 0.003 0.000 0.876 229 R HN 0.509 nan 8.270 nan 0.000 0.457 230 A N 0.126 122.947 122.820 0.001 0.000 2.235 230 A HA 0.014 4.334 4.320 0.000 0.000 0.208 230 A C 1.471 179.127 177.584 0.120 0.000 1.172 230 A CA 0.745 52.766 52.037 -0.027 0.000 0.786 230 A CB 0.140 19.078 19.000 -0.104 0.000 0.804 230 A HN 0.065 nan 8.150 nan 0.000 0.479 231 R N -2.579 117.984 120.500 0.105 0.000 2.635 231 R HA 0.110 4.451 4.340 0.000 0.000 0.241 231 R C 1.576 177.886 176.300 0.018 0.000 0.941 231 R CA 0.837 56.981 56.100 0.074 0.000 1.014 231 R CB -0.805 29.522 30.300 0.046 0.000 1.517 231 R HN 0.295 nan 8.270 nan 0.000 0.594 232 V N 1.858 121.788 119.914 0.025 0.000 2.594 232 V HA -0.168 3.952 4.120 0.000 0.000 0.253 232 V C 2.158 178.223 176.094 -0.049 0.000 1.069 232 V CA 2.168 64.463 62.300 -0.008 0.000 1.082 232 V CB -0.352 31.481 31.823 0.017 0.000 0.680 232 V HN 0.308 nan 8.190 nan 0.000 0.469 233 A N -0.155 122.640 122.820 -0.041 0.000 1.908 233 A HA -0.160 4.160 4.320 0.000 0.000 0.218 233 A C 2.116 179.595 177.584 -0.174 0.000 1.181 233 A CA 2.134 54.093 52.037 -0.130 0.000 0.627 233 A CB -0.490 18.397 19.000 -0.187 0.000 0.818 233 A HN 0.585 nan 8.150 nan 0.000 0.445 234 L N -1.113 120.013 121.223 -0.160 0.000 2.109 234 L HA -0.113 4.227 4.340 0.000 0.000 0.207 234 L C 2.713 179.483 176.870 -0.166 0.000 1.086 234 L CA 1.641 56.364 54.840 -0.195 0.000 0.760 234 L CB -1.285 40.625 42.059 -0.249 0.000 0.910 234 L HN 0.322 nan 8.230 nan 0.000 0.437 235 T N 0.226 114.699 114.554 -0.135 0.000 2.674 235 T HA -0.136 4.215 4.350 0.000 0.000 0.265 235 T C 1.885 176.517 174.700 -0.113 0.000 1.039 235 T CA 1.572 63.603 62.100 -0.114 0.000 1.150 235 T CB -0.542 68.276 68.868 -0.084 0.000 0.864 235 T HN 0.548 nan 8.240 nan 0.000 0.427 236 G N 1.436 110.167 108.800 -0.115 0.000 2.422 236 G HA2 -0.136 3.825 3.960 0.000 0.000 0.218 236 G HA3 -0.136 3.825 3.960 0.000 0.000 0.218 236 G C 1.560 176.396 174.900 -0.106 0.000 1.146 236 G CA 0.934 45.968 45.100 -0.111 0.000 0.769 236 G HN 0.468 nan 8.290 nan 0.000 0.547 237 L N 0.754 121.899 121.223 -0.130 0.000 2.083 237 L HA 0.032 4.372 4.340 0.000 0.000 0.209 237 L C 2.656 179.464 176.870 -0.104 0.000 1.083 237 L CA 2.621 57.385 54.840 -0.126 0.000 0.752 237 L CB -0.992 40.970 42.059 -0.162 0.000 0.899 237 L HN 0.114 nan 8.230 nan 0.000 0.433 238 T N 0.122 114.607 114.554 -0.115 0.000 2.833 238 T HA -0.099 4.251 4.350 0.000 0.000 0.269 238 T C 1.922 176.554 174.700 -0.114 0.000 1.054 238 T CA 1.993 64.030 62.100 -0.105 0.000 1.135 238 T CB -0.310 68.489 68.868 -0.115 0.000 0.869 238 T HN 0.364 nan 8.240 nan 0.000 0.466 239 I N 1.150 121.635 120.570 -0.143 0.000 2.193 239 I HA -0.107 4.063 4.170 0.000 0.000 0.240 239 I C 2.939 178.913 176.117 -0.239 0.000 1.084 239 I CA 0.988 62.146 61.300 -0.236 0.000 1.365 239 I CB -0.513 37.372 38.000 -0.191 0.000 1.064 239 I HN 0.160 nan 8.210 nan 0.000 0.410 240 A N 0.463 123.254 122.820 -0.049 0.000 1.948 240 A HA -0.264 4.056 4.320 0.000 0.000 0.220 240 A C 2.204 179.824 177.584 0.059 0.000 1.177 240 A CA 1.912 54.003 52.037 0.091 0.000 0.636 240 A CB -0.660 18.370 19.000 0.049 0.000 0.815 240 A HN 0.464 nan 8.150 nan 0.000 0.449 241 E N -1.999 118.195 120.200 -0.009 0.000 2.110 241 E HA -0.200 4.150 4.350 0.000 0.000 0.193 241 E C 1.830 178.442 176.600 0.021 0.000 0.988 241 E CA 1.359 57.760 56.400 0.002 0.000 0.804 241 E CB -0.252 29.439 29.700 -0.014 0.000 0.745 241 E HN 0.804 nan 8.360 nan 0.000 0.458 242 Y N 0.111 120.317 120.300 -0.158 0.000 2.242 242 Y HA -0.211 4.339 4.550 0.000 0.000 0.291 242 Y C 1.682 177.541 175.900 -0.067 0.000 1.137 242 Y CA 1.220 59.221 58.100 -0.165 0.000 1.181 242 Y CB -0.128 38.164 38.460 -0.279 0.000 0.989 242 Y HN -0.045 nan 8.280 nan 0.000 0.527 243 F N 0.394 120.388 119.950 0.074 0.000 2.069 243 F HA -0.191 4.336 4.527 0.000 0.000 0.298 243 F C 2.744 178.527 175.800 -0.028 0.000 1.113 243 F CA 1.866 59.899 58.000 0.054 0.000 1.214 243 F CB -1.300 37.812 39.000 0.187 0.000 0.978 243 F HN -0.038 nan 8.300 nan 0.000 0.474 244 R N 0.310 120.913 120.500 0.173 0.000 2.119 244 R HA -0.213 4.127 4.340 0.000 0.000 0.246 244 R C 1.484 177.781 176.300 -0.005 0.000 1.146 244 R CA 2.370 58.509 56.100 0.066 0.000 0.962 244 R CB -0.363 29.959 30.300 0.037 0.000 0.863 244 R HN 0.229 nan 8.270 nan 0.000 0.442 245 D N -1.050 119.313 120.400 -0.062 0.000 2.324 245 D HA -0.014 4.626 4.640 0.000 0.000 0.212 245 D C 1.306 177.515 176.300 -0.152 0.000 0.984 245 D CA 0.700 54.645 54.000 -0.092 0.000 0.885 245 D CB 0.287 41.041 40.800 -0.077 0.000 0.996 245 D HN 0.232 nan 8.370 nan 0.000 0.505 246 E N -0.081 119.939 120.200 -0.301 0.000 2.514 246 E HA 0.044 4.394 4.350 0.000 0.000 0.215 246 E C 1.021 177.472 176.600 -0.250 0.000 0.946 246 E CA 0.167 56.336 56.400 -0.386 0.000 1.038 246 E CB 0.885 30.093 29.700 -0.820 0.000 1.069 246 E HN 0.051 nan 8.360 nan 0.000 0.503 247 E N 0.477 120.602 120.200 -0.126 0.000 2.447 247 E HA 0.094 4.445 4.350 0.000 0.000 0.195 247 E C 0.741 177.346 176.600 0.008 0.000 1.028 247 E CA 0.582 57.013 56.400 0.051 0.000 0.876 247 E CB 0.148 30.011 29.700 0.273 0.000 0.885 247 E HN 0.279 nan 8.360 nan 0.000 0.500 248 G N 1.399 110.184 108.800 -0.025 0.000 2.366 248 G HA2 -0.345 3.615 3.960 0.000 0.000 0.299 248 G HA3 -0.345 3.615 3.960 0.000 0.000 0.299 248 G C 0.109 174.994 174.900 -0.025 0.000 1.020 248 G CA 1.184 46.267 45.100 -0.029 0.000 1.026 248 G HN 0.357 nan 8.290 nan 0.000 0.512 249 Q N -1.190 118.604 119.800 -0.011 0.000 3.078 249 Q HA 0.395 4.735 4.340 0.000 0.000 0.348 249 Q C -1.172 174.820 176.000 -0.013 0.000 0.861 249 Q CA -0.931 54.849 55.803 -0.040 0.000 0.822 249 Q CB 1.196 29.875 28.738 -0.098 0.000 1.395 249 Q HN 0.255 nan 8.270 nan 0.000 0.497 250 D N 1.858 122.242 120.400 -0.027 0.000 2.373 250 D HA 0.287 4.927 4.640 0.000 0.000 0.227 250 D C -0.729 175.654 176.300 0.139 0.000 1.091 250 D CA -0.025 54.011 54.000 0.060 0.000 0.840 250 D CB 1.330 42.188 40.800 0.098 0.000 1.060 250 D HN 0.181 nan 8.370 nan 0.000 0.502 251 V N 1.667 121.639 119.914 0.096 0.000 2.617 251 V HA 0.405 4.525 4.120 0.000 0.000 0.298 251 V C 0.548 176.609 176.094 -0.055 0.000 1.048 251 V CA -0.967 61.385 62.300 0.088 0.000 0.964 251 V CB 1.654 33.573 31.823 0.160 0.000 1.004 251 V HN 0.336 nan 8.190 nan 0.000 0.466 252 L N 4.077 125.220 121.223 -0.133 0.000 2.307 252 L HA 0.563 4.903 4.340 0.000 0.000 0.282 252 L C -0.684 176.033 176.870 -0.256 0.000 1.051 252 L CA -0.541 54.105 54.840 -0.323 0.000 0.804 252 L CB 1.593 43.429 42.059 -0.372 0.000 1.197 252 L HN 0.489 nan 8.230 nan 0.000 0.431 253 L N 3.762 124.732 121.223 -0.422 0.000 2.343 253 L HA 0.557 4.897 4.340 0.000 0.000 0.278 253 L C -1.336 175.242 176.870 -0.488 0.000 0.996 253 L CA 0.051 54.714 54.840 -0.294 0.000 0.831 253 L CB 1.179 43.125 42.059 -0.187 0.000 1.232 253 L HN 0.186 nan 8.230 nan 0.000 0.413 254 F N 5.998 125.897 119.950 -0.086 0.000 2.444 254 F HA 0.604 5.131 4.527 0.000 0.000 0.342 254 F C 0.026 175.578 175.800 -0.412 0.000 1.121 254 F CA -0.420 57.499 58.000 -0.135 0.000 0.997 254 F CB 1.462 40.526 39.000 0.107 0.000 1.130 254 F HN 0.250 nan 8.300 nan 0.000 0.454 255 I N 2.988 123.435 120.570 -0.205 0.000 2.436 255 I HA 0.300 4.470 4.170 0.000 0.000 0.289 255 I C -1.263 174.710 176.117 -0.239 0.000 1.010 255 I CA -0.522 60.584 61.300 -0.325 0.000 1.098 255 I CB 1.950 39.808 38.000 -0.237 0.000 1.266 255 I HN 0.423 nan 8.210 nan 0.000 0.434 256 D N 6.400 126.623 120.400 -0.295 0.000 2.402 256 D HA 0.286 4.926 4.640 0.000 0.000 0.252 256 D C -1.380 174.923 176.300 0.005 0.000 1.294 256 D CA -0.276 53.692 54.000 -0.054 0.000 0.948 256 D CB 1.030 41.899 40.800 0.115 0.000 1.202 256 D HN 0.409 nan 8.370 nan 0.000 0.561 257 N N 4.351 123.072 118.700 0.035 0.000 2.397 257 N HA 0.140 4.880 4.740 0.000 0.000 0.291 257 N C 0.180 175.729 175.510 0.065 0.000 1.065 257 N CA -0.480 52.603 53.050 0.055 0.000 0.884 257 N CB 1.584 40.147 38.487 0.126 0.000 1.551 257 N HN 0.324 nan 8.380 nan 0.000 0.487 258 I N 3.691 124.270 120.570 0.016 0.000 2.756 258 I HA -0.048 4.122 4.170 0.000 0.000 0.262 258 I C 1.629 177.821 176.117 0.124 0.000 1.225 258 I CA 0.631 61.937 61.300 0.011 0.000 1.472 258 I CB -0.414 37.527 38.000 -0.098 0.000 1.094 258 I HN 0.610 nan 8.210 nan 0.000 0.454 259 F N 1.263 121.240 119.950 0.045 0.000 2.202 259 F HA -0.214 4.314 4.527 0.001 0.000 0.301 259 F C 2.274 178.153 175.800 0.132 0.000 1.082 259 F CA 1.462 59.529 58.000 0.112 0.000 1.313 259 F CB -0.316 38.797 39.000 0.188 0.000 1.024 259 F HN -0.031 nan 8.300 nan 0.000 0.495 260 R N -0.089 120.399 120.500 -0.020 0.000 2.148 260 R HA -0.175 4.165 4.340 0.000 0.000 0.227 260 R C 2.169 178.396 176.300 -0.121 0.000 1.103 260 R CA 1.309 57.332 56.100 -0.129 0.000 0.983 260 R CB -1.706 28.608 30.300 0.022 0.000 0.874 260 R HN 0.501 nan 8.270 nan 0.000 0.451 261 F N 1.652 121.501 119.950 -0.168 0.000 2.113 261 F HA -0.165 4.362 4.527 0.000 0.000 0.297 261 F C 1.918 177.622 175.800 -0.160 0.000 1.103 261 F CA 1.656 59.574 58.000 -0.136 0.000 1.248 261 F CB -0.356 38.578 39.000 -0.110 0.000 0.999 261 F HN -0.121 nan 8.300 nan 0.000 0.475 262 T N 0.317 114.726 114.554 -0.242 0.000 2.777 262 T HA -0.235 4.115 4.350 0.000 0.000 0.266 262 T C 1.890 176.383 174.700 -0.345 0.000 1.040 262 T CA 1.563 63.473 62.100 -0.316 0.000 1.141 262 T CB -0.440 68.356 68.868 -0.119 0.000 0.868 262 T HN 0.468 nan 8.240 nan 0.000 0.444 263 Q N 0.835 120.288 119.800 -0.577 0.000 2.050 263 Q HA -0.110 4.230 4.340 0.000 0.000 0.202 263 Q C 2.503 178.348 176.000 -0.258 0.000 0.980 263 Q CA 1.573 57.096 55.803 -0.466 0.000 0.840 263 Q CB -0.333 27.999 28.738 -0.677 0.000 0.898 263 Q HN 0.518 nan 8.270 nan 0.000 0.424 264 A N 0.613 123.279 122.820 -0.257 0.000 1.902 264 A HA -0.121 4.199 4.320 0.000 0.000 0.217 264 A C 2.281 179.755 177.584 -0.184 0.000 1.181 264 A CA 1.693 53.624 52.037 -0.176 0.000 0.623 264 A CB -1.448 17.466 19.000 -0.143 0.000 0.818 264 A HN 0.626 nan 8.150 nan 0.000 0.443 265 G N -0.617 108.015 108.800 -0.280 0.000 2.514 265 G HA2 -0.297 3.663 3.960 0.000 0.000 0.217 265 G HA3 -0.297 3.663 3.960 0.000 0.000 0.217 265 G C 1.919 176.734 174.900 -0.142 0.000 1.198 265 G CA 1.742 46.689 45.100 -0.255 0.000 0.780 265 G HN 0.644 nan 8.290 nan 0.000 0.565 266 S N 0.545 116.177 115.700 -0.114 0.000 2.413 266 S HA -0.209 4.261 4.470 0.000 0.000 0.237 266 S C 2.094 176.654 174.600 -0.067 0.000 1.044 266 S CA 2.081 60.246 58.200 -0.058 0.000 1.024 266 S CB -0.386 62.781 63.200 -0.053 0.000 0.829 266 S HN 0.602 nan 8.310 nan 0.000 0.475 267 E N -0.080 120.072 120.200 -0.079 0.000 2.511 267 E HA -0.001 4.349 4.350 0.000 0.000 0.196 267 E C 1.528 178.102 176.600 -0.045 0.000 1.066 267 E CA 0.956 57.321 56.400 -0.059 0.000 0.871 267 E CB 0.256 29.921 29.700 -0.058 0.000 0.863 267 E HN 0.711 nan 8.360 nan 0.000 0.520 268 V N -4.142 115.744 119.914 -0.046 0.000 3.451 268 V HA 0.166 4.287 4.120 0.000 0.000 0.288 268 V C 1.913 177.993 176.094 -0.024 0.000 1.502 268 V CA 0.280 62.561 62.300 -0.032 0.000 1.026 268 V CB 0.777 32.581 31.823 -0.031 0.000 0.840 268 V HN 0.013 nan 8.190 nan 0.000 0.437 269 S N 2.010 117.694 115.700 -0.027 0.000 2.377 269 S HA -0.241 4.230 4.470 0.000 0.000 0.224 269 S C 2.240 176.837 174.600 -0.006 0.000 1.042 269 S CA 2.833 61.024 58.200 -0.015 0.000 1.086 269 S CB -0.561 62.634 63.200 -0.008 0.000 0.995 269 S HN 1.132 nan 8.310 nan 0.000 0.428 270 A N 1.223 124.039 122.820 -0.006 0.000 1.917 270 A HA -0.027 4.294 4.320 0.000 0.000 0.219 270 A C 2.239 179.823 177.584 -0.001 0.000 1.182 270 A CA 1.631 53.667 52.037 -0.002 0.000 0.633 270 A CB -0.883 18.115 19.000 -0.004 0.000 0.819 270 A HN 0.605 nan 8.150 nan 0.000 0.448 271 L N -0.846 120.375 121.223 -0.004 0.000 2.456 271 L HA -0.018 4.322 4.340 0.000 0.000 0.224 271 L C 1.409 178.281 176.870 0.003 0.000 1.148 271 L CA 0.436 55.276 54.840 -0.001 0.000 0.825 271 L CB -0.225 41.832 42.059 -0.002 0.000 0.937 271 L HN 0.369 nan 8.230 nan 0.000 0.450 272 L N -0.349 120.875 121.223 0.002 0.000 2.629 272 L HA 0.183 4.523 4.340 0.000 0.000 0.230 272 L C 1.148 178.023 176.870 0.008 0.000 1.151 272 L CA 0.071 54.915 54.840 0.006 0.000 0.924 272 L CB -0.300 41.760 42.059 0.001 0.000 1.137 272 L HN 0.329 nan 8.230 nan 0.000 0.457 273 G N 1.053 109.858 108.800 0.008 0.000 2.333 273 G HA2 -0.297 3.663 3.960 0.000 0.000 0.296 273 G HA3 -0.297 3.663 3.960 0.000 0.000 0.296 273 G C -0.040 174.866 174.900 0.011 0.000 1.059 273 G CA -0.045 45.061 45.100 0.010 0.000 1.050 273 G HN 0.323 nan 8.290 nan 0.000 0.508 274 R N -0.929 119.577 120.500 0.010 0.000 2.514 274 R HA 0.663 5.003 4.340 0.000 0.000 0.301 274 R C 0.948 177.258 176.300 0.017 0.000 0.962 274 R CA -0.883 55.225 56.100 0.014 0.000 0.882 274 R CB 1.012 31.321 30.300 0.015 0.000 1.143 274 R HN 0.315 nan 8.270 nan 0.000 0.452 275 I N 4.880 125.462 120.570 0.020 0.000 2.648 275 I HA 0.099 4.270 4.170 0.000 0.000 0.284 275 I C -1.639 174.497 176.117 0.031 0.000 1.153 275 I CA -1.414 59.899 61.300 0.023 0.000 1.426 275 I CB 0.483 38.497 38.000 0.024 0.000 1.381 275 I HN 0.358 nan 8.210 nan 0.000 0.571 276 P HA 0.089 nan 4.420 nan 0.000 0.272 276 P C -0.479 176.862 177.300 0.068 0.000 1.240 276 P CA -0.339 62.789 63.100 0.047 0.000 0.791 276 P CB 0.767 32.489 31.700 0.038 0.000 0.978 277 S N 0.261 116.022 115.700 0.102 0.000 2.748 277 S HA 0.706 5.176 4.470 0.000 0.000 0.299 277 S C -0.371 174.338 174.600 0.181 0.000 1.119 277 S CA -0.537 57.740 58.200 0.128 0.000 0.997 277 S CB 0.251 63.531 63.200 0.133 0.000 1.223 277 S HN 0.535 nan 8.310 nan 0.000 0.541 278 A N 0.123 123.075 122.820 0.221 0.000 2.531 278 A HA 0.463 4.784 4.320 0.000 0.000 0.236 278 A C 0.164 178.076 177.584 0.548 0.000 1.062 278 A CA 0.320 52.555 52.037 0.330 0.000 0.760 278 A CB -1.167 18.049 19.000 0.360 0.000 0.995 278 A HN 1.295 nan 8.150 nan 0.000 0.501 279 F N 0.079 120.115 119.950 0.142 0.000 2.840 279 F HA -0.244 4.283 4.527 0.000 0.000 0.310 279 F C 1.641 177.444 175.800 0.006 0.000 0.688 279 F CA 1.701 59.785 58.000 0.141 0.000 1.286 279 F CB -1.480 37.716 39.000 0.326 0.000 1.612 279 F HN 1.936 nan 8.300 nan 0.000 0.335 280 G N -1.861 107.028 108.800 0.149 0.000 2.148 280 G HA2 -0.360 3.600 3.960 0.000 0.000 0.254 280 G HA3 -0.360 3.600 3.960 0.000 0.000 0.254 280 G C 0.150 175.020 174.900 -0.050 0.000 0.981 280 G CA 0.080 45.186 45.100 0.010 0.000 0.670 280 G HN 0.515 nan 8.290 nan 0.000 0.528 281 Y N 1.508 121.892 120.300 0.140 0.000 2.298 281 Y HA 0.434 4.985 4.550 0.000 0.000 0.329 281 Y C 1.388 177.319 175.900 0.052 0.000 1.293 281 Y CA -0.160 57.993 58.100 0.088 0.000 1.388 281 Y CB 0.529 39.043 38.460 0.091 0.000 1.309 281 Y HN 0.408 nan 8.280 nan 0.000 0.544 282 Q N 2.566 122.498 119.800 0.220 0.000 2.421 282 Q HA 0.083 4.423 4.340 0.000 0.000 0.255 282 Q C -2.338 173.724 176.000 0.103 0.000 1.013 282 Q CA -1.627 54.241 55.803 0.109 0.000 0.895 282 Q CB 0.532 29.303 28.738 0.055 0.000 1.271 282 Q HN 0.380 nan 8.270 nan 0.000 0.460 283 P HA -0.084 nan 4.420 nan 0.000 0.222 283 P C 0.830 178.159 177.300 0.048 0.000 1.147 283 P CA 1.520 64.657 63.100 0.060 0.000 0.790 283 P CB -0.033 31.694 31.700 0.044 0.000 0.780 284 T N -4.046 110.532 114.554 0.039 0.000 3.251 284 T HA 0.200 4.550 4.350 0.000 0.000 0.259 284 T C 1.312 176.031 174.700 0.033 0.000 0.998 284 T CA -0.374 61.745 62.100 0.032 0.000 0.905 284 T CB -1.079 67.802 68.868 0.022 0.000 1.067 284 T HN -0.051 nan 8.240 nan 0.000 0.569 285 L N 0.911 122.153 121.223 0.033 0.000 2.012 285 L HA 0.013 4.353 4.340 0.000 0.000 0.210 285 L C 2.728 179.620 176.870 0.037 0.000 1.073 285 L CA 2.032 56.880 54.840 0.013 0.000 0.748 285 L CB -0.609 41.429 42.059 -0.035 0.000 0.891 285 L HN 0.432 nan 8.230 nan 0.000 0.431 286 A N -0.880 121.968 122.820 0.046 0.000 1.874 286 A HA -0.148 4.172 4.320 0.000 0.000 0.214 286 A C 2.301 179.946 177.584 0.103 0.000 1.189 286 A CA 1.752 53.838 52.037 0.081 0.000 0.615 286 A CB -1.149 17.892 19.000 0.069 0.000 0.830 286 A HN 0.584 nan 8.150 nan 0.000 0.443 287 T N -1.456 113.145 114.554 0.080 0.000 2.833 287 T HA -0.140 4.210 4.350 0.000 0.000 0.269 287 T C 1.281 176.038 174.700 0.095 0.000 1.054 287 T CA 1.497 63.644 62.100 0.079 0.000 1.135 287 T CB -0.475 68.427 68.868 0.057 0.000 0.869 287 T HN 0.329 nan 8.240 nan 0.000 0.466 288 D N 0.776 121.242 120.400 0.110 0.000 2.117 288 D HA -0.002 4.638 4.640 0.000 0.000 0.197 288 D C 1.918 178.382 176.300 0.273 0.000 0.987 288 D CA 0.902 55.013 54.000 0.185 0.000 0.829 288 D CB -0.329 40.546 40.800 0.125 0.000 0.961 288 D HN 0.371 nan 8.370 nan 0.000 0.460 289 M N -0.154 119.562 119.600 0.193 0.000 2.236 289 M HA 0.011 4.491 4.480 0.000 0.000 0.266 289 M C 1.994 178.221 176.300 -0.121 0.000 1.070 289 M CA 1.431 56.777 55.300 0.077 0.000 1.137 289 M CB 0.015 32.648 32.600 0.054 0.000 1.378 289 M HN 0.027 nan 8.290 nan 0.000 0.426 290 G N 0.559 109.376 108.800 0.027 0.000 2.422 290 G HA2 -0.197 3.763 3.960 0.000 0.000 0.218 290 G HA3 -0.197 3.763 3.960 0.000 0.000 0.218 290 G C 1.387 176.294 174.900 0.012 0.000 1.146 290 G CA 0.565 45.717 45.100 0.087 0.000 0.769 290 G HN 0.426 nan 8.290 nan 0.000 0.547 291 L N -0.396 120.839 121.223 0.021 0.000 2.291 291 L HA 0.071 4.411 4.340 0.000 0.000 0.214 291 L C 2.518 179.354 176.870 -0.056 0.000 1.120 291 L CA 0.236 55.084 54.840 0.014 0.000 0.799 291 L CB -0.051 42.046 42.059 0.063 0.000 0.925 291 L HN 0.284 nan 8.230 nan 0.000 0.446 292 L N -1.360 119.772 121.223 -0.153 0.000 2.130 292 L HA -0.054 4.286 4.340 0.000 0.000 0.200 292 L C 2.442 179.141 176.870 -0.285 0.000 1.075 292 L CA 1.514 56.168 54.840 -0.309 0.000 0.768 292 L CB -0.691 40.956 42.059 -0.687 0.000 0.933 292 L HN 0.093 nan 8.230 nan 0.000 0.451 293 Q N 0.270 119.871 119.800 -0.331 0.000 2.124 293 Q HA -0.179 4.161 4.340 0.000 0.000 0.202 293 Q C 2.018 177.936 176.000 -0.136 0.000 0.977 293 Q CA 1.501 57.123 55.803 -0.303 0.000 0.850 293 Q CB -0.348 28.050 28.738 -0.568 0.000 0.901 293 Q HN 0.612 nan 8.270 nan 0.000 0.429 294 E N 0.431 120.590 120.200 -0.069 0.000 2.338 294 E HA -0.125 4.226 4.350 0.000 0.000 0.197 294 E C 1.850 178.432 176.600 -0.030 0.000 1.007 294 E CA 0.488 56.888 56.400 0.000 0.000 0.849 294 E CB -0.020 29.703 29.700 0.039 0.000 0.774 294 E HN 0.328 nan 8.360 nan 0.000 0.506 295 R N 0.130 120.591 120.500 -0.065 0.000 2.200 295 R HA 0.133 4.474 4.340 0.000 0.000 0.208 295 R C 1.138 177.392 176.300 -0.077 0.000 1.033 295 R CA 0.260 56.321 56.100 -0.066 0.000 1.000 295 R CB 0.153 30.404 30.300 -0.082 0.000 0.906 295 R HN 0.067 nan 8.270 nan 0.000 0.462 296 I N 1.839 122.349 120.570 -0.099 0.000 2.204 296 I HA 0.022 4.193 4.170 0.000 0.000 0.291 296 I C 0.006 176.077 176.117 -0.077 0.000 1.153 296 I CA 0.186 61.424 61.300 -0.104 0.000 1.546 296 I CB 0.284 38.197 38.000 -0.143 0.000 1.490 296 I HN -0.081 nan 8.210 nan 0.000 0.697 297 T N 2.068 116.587 114.554 -0.059 0.000 2.933 297 T HA 0.278 4.628 4.350 0.000 0.000 0.305 297 T C 0.014 174.686 174.700 -0.045 0.000 1.092 297 T CA -0.326 61.746 62.100 -0.048 0.000 1.008 297 T CB 1.447 70.294 68.868 -0.035 0.000 1.102 297 T HN 0.218 nan 8.240 nan 0.000 0.469 298 T N 3.636 118.163 114.554 -0.046 0.000 2.946 298 T HA 0.399 4.749 4.350 0.000 0.000 0.311 298 T C 0.421 175.095 174.700 -0.044 0.000 1.063 298 T CA 0.347 62.423 62.100 -0.041 0.000 1.139 298 T CB 0.641 69.486 68.868 -0.039 0.000 0.994 298 T HN 0.808 nan 8.240 nan 0.000 0.547 299 T N 0.877 115.407 114.554 -0.040 0.000 2.773 299 T HA 0.401 4.751 4.350 0.000 0.000 0.278 299 T C 0.982 175.657 174.700 -0.042 0.000 1.011 299 T CA -0.846 61.228 62.100 -0.044 0.000 1.014 299 T CB 1.193 70.040 68.868 -0.036 0.000 1.293 299 T HN 0.500 nan 8.240 nan 0.000 0.554 300 K N -0.010 120.364 120.400 -0.043 0.000 2.366 300 K HA 0.125 4.445 4.320 0.000 0.000 0.198 300 K C 1.942 178.523 176.600 -0.031 0.000 1.044 300 K CA 0.633 56.897 56.287 -0.039 0.000 0.973 300 K CB 0.062 32.538 32.500 -0.039 0.000 0.767 300 K HN 0.373 nan 8.250 nan 0.000 0.475 301 K N -0.128 120.254 120.400 -0.030 0.000 2.243 301 K HA 0.018 4.338 4.320 0.000 0.000 0.201 301 K C 0.487 177.071 176.600 -0.027 0.000 1.051 301 K CA 0.640 56.910 56.287 -0.028 0.000 0.970 301 K CB 0.577 33.059 32.500 -0.029 0.000 0.755 301 K HN 0.201 nan 8.250 nan 0.000 0.465 302 G N -1.136 107.649 108.800 -0.025 0.000 2.550 302 G HA2 0.281 4.241 3.960 0.000 0.000 0.293 302 G HA3 0.281 4.241 3.960 0.000 0.000 0.293 302 G C -1.713 173.178 174.900 -0.015 0.000 1.402 302 G CA -0.614 44.475 45.100 -0.018 0.000 0.784 302 G HN -0.021 nan 8.290 nan 0.000 0.482 303 S N -1.008 114.688 115.700 -0.007 0.000 2.473 303 S HA 0.699 5.170 4.470 0.000 0.000 0.307 303 S C -1.010 173.588 174.600 -0.003 0.000 1.094 303 S CA -0.600 57.595 58.200 -0.008 0.000 1.070 303 S CB 1.716 64.914 63.200 -0.003 0.000 1.019 303 S HN 1.000 nan 8.310 nan 0.000 0.480 304 V N 4.760 124.659 119.914 -0.027 0.000 2.376 304 V HA 0.413 4.533 4.120 0.000 0.000 0.287 304 V C -0.194 175.846 176.094 -0.090 0.000 1.015 304 V CA -0.539 61.730 62.300 -0.052 0.000 0.834 304 V CB 1.788 33.578 31.823 -0.054 0.000 1.001 304 V HN 1.024 nan 8.190 nan 0.000 0.428 305 T N 4.075 118.552 114.554 -0.128 0.000 2.727 305 T HA 0.353 4.703 4.350 0.000 0.000 0.298 305 T C 0.245 174.779 174.700 -0.276 0.000 0.942 305 T CA -0.194 61.801 62.100 -0.175 0.000 0.997 305 T CB 0.688 69.454 68.868 -0.170 0.000 0.917 305 T HN 0.791 nan 8.240 nan 0.000 0.487 306 S N 2.499 118.047 115.700 -0.254 0.000 2.509 306 S HA 0.738 5.209 4.470 0.000 0.000 0.297 306 S C -0.526 173.886 174.600 -0.314 0.000 1.118 306 S CA -0.747 57.269 58.200 -0.307 0.000 1.074 306 S CB 1.346 64.410 63.200 -0.226 0.000 1.038 306 S HN 0.370 nan 8.310 nan 0.000 0.498 307 V N 3.265 122.972 119.914 -0.344 0.000 2.443 307 V HA 0.460 4.580 4.120 0.000 0.000 0.293 307 V C -0.764 175.262 176.094 -0.113 0.000 1.021 307 V CA -0.507 61.673 62.300 -0.200 0.000 0.848 307 V CB 1.363 33.160 31.823 -0.044 0.000 0.998 307 V HN 0.983 nan 8.190 nan 0.000 0.424 308 Q N 3.242 122.958 119.800 -0.139 0.000 2.327 308 Q HA 0.717 5.058 4.340 0.000 0.000 0.270 308 Q C -0.182 175.730 176.000 -0.148 0.000 1.022 308 Q CA -0.512 55.204 55.803 -0.145 0.000 0.773 308 Q CB 2.425 31.045 28.738 -0.196 0.000 1.251 308 Q HN 0.890 nan 8.270 nan 0.000 0.457 309 A N 2.313 125.089 122.820 -0.074 0.000 2.477 309 A HA 0.400 4.720 4.320 0.000 0.000 0.246 309 A C -0.195 177.305 177.584 -0.139 0.000 1.078 309 A CA -0.181 51.816 52.037 -0.067 0.000 0.770 309 A CB 0.424 19.450 19.000 0.043 0.000 1.011 309 A HN 0.520 nan 8.150 nan 0.000 0.494 310 V N 4.364 124.124 119.914 -0.257 0.000 2.340 310 V HA 0.131 4.252 4.120 0.000 0.000 0.277 310 V C -0.416 175.572 176.094 -0.176 0.000 1.017 310 V CA -0.500 61.594 62.300 -0.343 0.000 0.820 310 V CB 0.317 31.523 31.823 -1.028 0.000 1.028 310 V HN 0.833 nan 8.190 nan 0.000 0.436 311 Y N 4.770 125.005 120.300 -0.108 0.000 2.805 311 Y HA 0.240 4.790 4.550 0.000 0.000 0.337 311 Y C 0.074 175.808 175.900 -0.278 0.000 1.252 311 Y CA 0.623 58.620 58.100 -0.173 0.000 1.515 311 Y CB 0.821 39.167 38.460 -0.189 0.000 1.305 311 Y HN 0.366 nan 8.280 nan 0.000 0.600 312 V N 8.705 128.002 119.914 -1.028 0.000 2.357 312 V HA 0.263 4.383 4.120 0.000 0.000 0.281 312 V C -2.321 173.233 176.094 -0.900 0.000 1.015 312 V CA -2.071 59.834 62.300 -0.658 0.000 0.827 312 V CB 1.237 32.932 31.823 -0.213 0.000 1.018 312 V HN 0.713 nan 8.190 nan 0.000 0.432 313 P HA 0.073 nan 4.420 nan 0.000 0.260 313 P C 0.751 177.978 177.300 -0.122 0.000 1.185 313 P CA 1.078 64.014 63.100 -0.274 0.000 0.763 313 P CB 0.553 32.263 31.700 0.016 0.000 0.776 314 A N 4.281 127.066 122.820 -0.059 0.000 2.829 314 A HA -0.274 4.046 4.320 0.000 0.000 0.267 314 A C 1.069 178.634 177.584 -0.031 0.000 1.370 314 A CA 1.376 53.416 52.037 0.004 0.000 0.900 314 A CB -2.418 16.615 19.000 0.056 0.000 1.044 314 A HN 0.589 nan 8.150 nan 0.000 0.691 315 D N -2.442 117.894 120.400 -0.108 0.000 2.876 315 D HA -0.160 4.480 4.640 0.000 0.000 0.196 315 D C -0.204 176.067 176.300 -0.049 0.000 1.014 315 D CA 1.952 55.902 54.000 -0.084 0.000 1.012 315 D CB -1.465 39.313 40.800 -0.038 0.000 1.080 315 D HN 0.934 nan 8.370 nan 0.000 0.438 316 D N 0.712 121.094 120.400 -0.030 0.000 2.374 316 D HA 0.174 4.815 4.640 0.000 0.000 0.240 316 D C 1.514 177.819 176.300 0.009 0.000 1.229 316 D CA -0.144 53.864 54.000 0.014 0.000 0.895 316 D CB 0.185 41.031 40.800 0.078 0.000 1.046 316 D HN 0.182 nan 8.370 nan 0.000 0.498 317 L N 2.714 123.941 121.223 0.007 0.000 2.456 317 L HA -0.087 4.254 4.340 0.000 0.000 0.224 317 L C 2.017 178.888 176.870 0.002 0.000 1.148 317 L CA 1.168 56.026 54.840 0.030 0.000 0.825 317 L CB -0.304 41.744 42.059 -0.019 0.000 0.937 317 L HN 0.501 nan 8.230 nan 0.000 0.450 318 T N -5.191 109.351 114.554 -0.020 0.000 3.086 318 T HA -0.024 4.326 4.350 0.000 0.000 0.250 318 T C 0.702 175.327 174.700 -0.124 0.000 1.074 318 T CA -0.473 61.594 62.100 -0.055 0.000 0.988 318 T CB -0.225 68.629 68.868 -0.022 0.000 0.988 318 T HN 0.173 nan 8.240 nan 0.000 0.530 319 D N 2.713 123.054 120.400 -0.098 0.000 2.493 319 D HA 0.034 4.675 4.640 0.000 0.000 0.240 319 D C -1.487 174.631 176.300 -0.302 0.000 1.142 319 D CA -1.459 52.399 54.000 -0.237 0.000 0.872 319 D CB 1.550 42.362 40.800 0.020 0.000 1.173 319 D HN 0.005 nan 8.370 nan 0.000 0.467 320 P HA -0.200 nan 4.420 nan 0.000 0.218 320 P C 0.756 177.871 177.300 -0.308 0.000 1.150 320 P CA 1.710 64.551 63.100 -0.432 0.000 0.841 320 P CB 0.174 31.550 31.700 -0.540 0.000 0.784 321 A N -0.052 122.578 122.820 -0.316 0.000 1.832 321 A HA -0.066 4.254 4.320 0.000 0.000 0.214 321 A C -0.090 177.567 177.584 0.120 0.000 1.204 321 A CA 1.798 53.781 52.037 -0.090 0.000 0.606 321 A CB -2.113 17.000 19.000 0.189 0.000 0.849 321 A HN 0.180 nan 8.150 nan 0.000 0.445 322 P HA -0.196 nan 4.420 nan 0.000 0.215 322 P C 1.725 179.294 177.300 0.448 0.000 1.157 322 P CA 2.246 65.564 63.100 0.364 0.000 0.874 322 P CB -0.300 31.628 31.700 0.381 0.000 0.790 323 A N 0.075 123.068 122.820 0.288 0.000 1.869 323 A HA -0.247 4.073 4.320 0.000 0.000 0.218 323 A C 2.347 180.077 177.584 0.244 0.000 1.203 323 A CA 3.218 55.392 52.037 0.228 0.000 0.638 323 A CB -2.119 16.886 19.000 0.008 0.000 0.831 323 A HN 0.244 nan 8.150 nan 0.000 0.450 324 T N -0.298 114.338 114.554 0.137 0.000 2.929 324 T HA -0.079 4.272 4.350 0.000 0.000 0.271 324 T C 1.760 176.615 174.700 0.258 0.000 1.085 324 T CA 1.707 63.894 62.100 0.145 0.000 1.125 324 T CB -0.465 68.448 68.868 0.077 0.000 0.874 324 T HN 0.611 nan 8.240 nan 0.000 0.494 325 T N 1.384 116.105 114.554 0.278 0.000 2.942 325 T HA 0.085 4.436 4.350 0.000 0.000 0.265 325 T C 1.487 176.372 174.700 0.308 0.000 1.062 325 T CA 0.489 62.749 62.100 0.266 0.000 1.139 325 T CB -0.413 68.538 68.868 0.139 0.000 0.883 325 T HN 0.313 nan 8.240 nan 0.000 0.468 326 F N 2.041 122.148 119.950 0.261 0.000 2.091 326 F HA -0.087 4.441 4.527 0.000 0.000 0.299 326 F C 2.548 178.395 175.800 0.079 0.000 1.103 326 F CA 1.188 59.271 58.000 0.139 0.000 1.228 326 F CB -0.399 38.560 39.000 -0.068 0.000 0.984 326 F HN 0.140 nan 8.300 nan 0.000 0.477 327 A N -2.068 120.870 122.820 0.197 0.000 2.238 327 A HA -0.060 4.260 4.320 0.000 0.000 0.208 327 A C 1.400 178.942 177.584 -0.070 0.000 1.177 327 A CA 0.568 52.624 52.037 0.032 0.000 0.804 327 A CB -0.908 18.061 19.000 -0.052 0.000 0.823 327 A HN 0.436 nan 8.150 nan 0.000 0.482 328 H N -0.926 118.185 119.070 0.069 0.000 2.551 328 H HA 0.341 4.897 4.556 0.000 0.000 0.271 328 H C -0.292 175.039 175.328 0.005 0.000 0.984 328 H CA 0.317 56.379 56.048 0.024 0.000 1.164 328 H CB 0.230 29.993 29.762 0.002 0.000 1.437 328 H HN 0.342 nan 8.280 nan 0.000 0.550 329 L N 0.193 121.485 121.223 0.115 0.000 2.333 329 L HA 0.220 4.560 4.340 0.000 0.000 0.269 329 L C 0.793 177.693 176.870 0.050 0.000 1.010 329 L CA -0.606 54.272 54.840 0.065 0.000 0.818 329 L CB 2.018 44.119 42.059 0.070 0.000 1.306 329 L HN -0.128 nan 8.230 nan 0.000 0.430 330 D N 1.188 121.600 120.400 0.021 0.000 2.346 330 D HA 0.208 4.848 4.640 0.000 0.000 0.206 330 D C 0.184 176.513 176.300 0.048 0.000 1.001 330 D CA 0.528 54.544 54.000 0.026 0.000 0.871 330 D CB 1.014 41.818 40.800 0.007 0.000 0.943 330 D HN 0.485 nan 8.370 nan 0.000 0.518 331 A N 0.820 123.666 122.820 0.043 0.000 2.466 331 A HA 0.471 4.791 4.320 0.000 0.000 0.284 331 A C -0.442 177.193 177.584 0.086 0.000 1.049 331 A CA -0.723 51.369 52.037 0.091 0.000 0.760 331 A CB 1.002 20.083 19.000 0.135 0.000 1.274 331 A HN -0.044 nan 8.150 nan 0.000 0.412 332 T N -0.104 114.535 114.554 0.141 0.000 2.770 332 T HA 0.667 5.018 4.350 0.000 0.000 0.283 332 T C -0.203 174.600 174.700 0.172 0.000 0.988 332 T CA -0.395 61.804 62.100 0.166 0.000 0.957 332 T CB 1.041 69.997 68.868 0.147 0.000 0.930 332 T HN 0.452 nan 8.240 nan 0.000 0.443 333 T N 3.675 118.327 114.554 0.164 0.000 2.744 333 T HA 0.476 4.826 4.350 0.000 0.000 0.291 333 T C -0.068 174.682 174.700 0.084 0.000 0.957 333 T CA -0.536 61.618 62.100 0.091 0.000 1.002 333 T CB 0.884 69.738 68.868 -0.023 0.000 0.919 333 T HN 0.629 nan 8.240 nan 0.000 0.468 334 V N 5.910 125.867 119.914 0.072 0.000 2.328 334 V HA 0.352 4.473 4.120 0.000 0.000 0.278 334 V C 0.224 176.344 176.094 0.044 0.000 1.021 334 V CA -0.816 61.536 62.300 0.087 0.000 0.838 334 V CB 0.790 32.651 31.823 0.064 0.000 0.999 334 V HN 0.749 nan 8.190 nan 0.000 0.447 335 L N 3.823 125.073 121.223 0.044 0.000 2.395 335 L HA 0.577 4.917 4.340 0.000 0.000 0.269 335 L C 0.460 177.350 176.870 0.033 0.000 1.133 335 L CA 0.225 55.087 54.840 0.038 0.000 0.812 335 L CB 1.484 43.576 42.059 0.054 0.000 1.125 335 L HN 0.693 nan 8.230 nan 0.000 0.452 336 S N 1.801 117.510 115.700 0.015 0.000 2.614 336 S HA 0.320 4.790 4.470 0.000 0.000 0.288 336 S C 0.546 175.135 174.600 -0.020 0.000 1.137 336 S CA -0.818 57.379 58.200 -0.004 0.000 0.992 336 S CB 1.764 64.956 63.200 -0.013 0.000 1.026 336 S HN 0.726 nan 8.310 nan 0.000 0.486 337 R N 3.532 124.024 120.500 -0.013 0.000 2.080 337 R HA -0.057 4.283 4.340 0.000 0.000 0.236 337 R C 2.140 178.420 176.300 -0.033 0.000 1.137 337 R CA 2.287 58.379 56.100 -0.014 0.000 0.943 337 R CB -1.118 29.180 30.300 -0.003 0.000 0.846 337 R HN 0.835 nan 8.270 nan 0.000 0.431 338 G N 1.027 109.808 108.800 -0.032 0.000 2.485 338 G HA2 -0.211 3.750 3.960 0.000 0.000 0.221 338 G HA3 -0.211 3.750 3.960 0.000 0.000 0.221 338 G C 1.259 176.127 174.900 -0.052 0.000 1.115 338 G CA 0.786 45.864 45.100 -0.038 0.000 0.751 338 G HN 0.246 nan 8.290 nan 0.000 0.567 339 I N 1.604 122.134 120.570 -0.065 0.000 2.400 339 I HA -0.059 4.111 4.170 0.000 0.000 0.248 339 I C 3.053 179.066 176.117 -0.172 0.000 1.109 339 I CA 1.508 62.757 61.300 -0.084 0.000 1.425 339 I CB -1.079 36.883 38.000 -0.063 0.000 1.094 339 I HN 0.352 nan 8.210 nan 0.000 0.425 340 S N 0.867 116.426 115.700 -0.236 0.000 2.383 340 S HA -0.177 4.294 4.470 0.000 0.000 0.227 340 S C 1.763 176.211 174.600 -0.253 0.000 1.026 340 S CA 1.156 59.073 58.200 -0.472 0.000 0.981 340 S CB -0.527 62.486 63.200 -0.313 0.000 0.818 340 S HN 0.476 nan 8.310 nan 0.000 0.472 341 E N 0.788 120.926 120.200 -0.104 0.000 2.268 341 E HA 0.047 4.397 4.350 0.000 0.000 0.195 341 E C 1.686 178.271 176.600 -0.026 0.000 0.995 341 E CA 0.841 57.220 56.400 -0.034 0.000 0.836 341 E CB -0.294 29.397 29.700 -0.015 0.000 0.763 341 E HN 0.569 nan 8.360 nan 0.000 0.491 342 L N -0.544 120.652 121.223 -0.044 0.000 2.552 342 L HA 0.047 4.387 4.340 0.000 0.000 0.227 342 L C 1.385 178.259 176.870 0.007 0.000 1.146 342 L CA 0.467 55.298 54.840 -0.016 0.000 0.858 342 L CB -0.125 41.932 42.059 -0.004 0.000 0.969 342 L HN 0.292 nan 8.230 nan 0.000 0.451 343 G N 0.850 109.643 108.800 -0.012 0.000 2.136 343 G HA2 -0.280 3.680 3.960 0.000 0.000 0.242 343 G HA3 -0.280 3.680 3.960 0.000 0.000 0.242 343 G C 0.179 175.179 174.900 0.166 0.000 0.989 343 G CA -0.270 44.893 45.100 0.104 0.000 0.682 343 G HN 0.309 nan 8.290 nan 0.000 0.522 344 I N 1.121 121.665 120.570 -0.043 0.000 2.287 344 I HA 0.389 4.560 4.170 0.000 0.000 0.290 344 I C -0.108 175.851 176.117 -0.263 0.000 1.069 344 I CA -0.757 60.548 61.300 0.007 0.000 1.237 344 I CB 0.290 38.324 38.000 0.057 0.000 1.418 344 I HN 0.050 nan 8.210 nan 0.000 0.481 345 Y N 7.621 127.921 120.300 -0.001 0.000 2.409 345 Y HA 0.420 4.970 4.550 0.000 0.000 0.339 345 Y C -2.061 173.703 175.900 -0.225 0.000 1.033 345 Y CA -2.771 55.275 58.100 -0.091 0.000 1.094 345 Y CB 1.256 39.645 38.460 -0.117 0.000 1.210 345 Y HN 0.380 nan 8.280 nan 0.000 0.456 346 P HA 0.103 nan 4.420 nan 0.000 0.275 346 P C -0.468 176.905 177.300 0.120 0.000 1.228 346 P CA -0.286 62.904 63.100 0.151 0.000 0.786 346 P CB 1.120 33.042 31.700 0.371 0.000 0.927 347 A N 3.444 126.322 122.820 0.096 0.000 2.711 347 A HA 0.164 4.484 4.320 0.000 0.000 0.242 347 A C 0.545 178.153 177.584 0.039 0.000 1.607 347 A CA -0.162 51.857 52.037 -0.031 0.000 1.370 347 A CB -1.367 17.588 19.000 -0.075 0.000 0.934 347 A HN 0.378 nan 8.150 nan 0.000 0.628 348 V N 1.160 121.123 119.914 0.082 0.000 2.508 348 V HA 0.044 4.164 4.120 0.000 0.000 0.281 348 V C 0.406 176.522 176.094 0.036 0.000 1.041 348 V CA -0.476 61.868 62.300 0.072 0.000 1.016 348 V CB 1.115 33.011 31.823 0.121 0.000 0.984 348 V HN 0.560 nan 8.190 nan 0.000 0.478 349 D N 8.016 128.429 120.400 0.022 0.000 2.352 349 D HA 0.171 4.812 4.640 0.000 0.000 0.245 349 D C -1.356 174.947 176.300 0.005 0.000 1.224 349 D CA -1.954 52.050 54.000 0.006 0.000 0.879 349 D CB 1.723 42.521 40.800 -0.003 0.000 1.057 349 D HN 0.302 nan 8.370 nan 0.000 0.491 350 P HA -0.015 nan 4.420 nan 0.000 0.242 350 P C 1.136 178.424 177.300 -0.021 0.000 1.197 350 P CA 0.434 63.528 63.100 -0.010 0.000 0.765 350 P CB 0.486 32.181 31.700 -0.010 0.000 0.936 351 L N -1.226 119.985 121.223 -0.020 0.000 2.577 351 L HA 0.217 4.557 4.340 0.000 0.000 0.225 351 L C 1.753 178.604 176.870 -0.031 0.000 1.053 351 L CA 0.534 55.357 54.840 -0.029 0.000 0.866 351 L CB -0.303 41.737 42.059 -0.031 0.000 1.132 351 L HN -0.145 nan 8.230 nan 0.000 0.486 352 D N -0.129 120.255 120.400 -0.027 0.000 2.339 352 D HA 0.036 4.676 4.640 0.000 0.000 0.217 352 D C 0.226 176.524 176.300 -0.002 0.000 1.050 352 D CA 0.207 54.188 54.000 -0.033 0.000 0.856 352 D CB 0.454 41.229 40.800 -0.041 0.000 0.922 352 D HN -0.028 nan 8.370 nan 0.000 0.518 353 S N 0.484 116.192 115.700 0.013 0.000 2.489 353 S HA 0.475 4.946 4.470 0.000 0.000 0.291 353 S C -0.175 174.449 174.600 0.040 0.000 1.151 353 S CA -0.705 57.522 58.200 0.045 0.000 1.082 353 S CB 1.645 64.876 63.200 0.052 0.000 1.019 353 S HN 0.004 nan 8.310 nan 0.000 0.492 354 K N 1.100 121.540 120.400 0.067 0.000 2.444 354 K HA 0.730 5.050 4.320 0.000 0.000 0.252 354 K C -0.821 175.829 176.600 0.083 0.000 0.993 354 K CA -0.791 55.529 56.287 0.055 0.000 0.847 354 K CB 2.081 34.608 32.500 0.044 0.000 1.340 354 K HN 0.545 nan 8.250 nan 0.000 0.446 355 S N -0.024 115.715 115.700 0.066 0.000 2.535 355 S HA 0.286 4.757 4.470 0.000 0.000 0.272 355 S C 0.178 174.812 174.600 0.056 0.000 1.149 355 S CA -0.680 57.567 58.200 0.080 0.000 0.888 355 S CB 1.393 64.651 63.200 0.098 0.000 1.110 355 S HN 0.641 nan 8.310 nan 0.000 0.463 356 R N 2.450 122.983 120.500 0.054 0.000 2.096 356 R HA 0.067 4.407 4.340 0.000 0.000 0.235 356 R C 1.677 178.001 176.300 0.039 0.000 1.127 356 R CA 1.575 57.700 56.100 0.041 0.000 0.968 356 R CB -0.468 29.851 30.300 0.032 0.000 0.861 356 R HN 0.613 nan 8.270 nan 0.000 0.440 357 L N 0.856 122.102 121.223 0.038 0.000 2.362 357 L HA -0.035 4.305 4.340 0.000 0.000 0.219 357 L C 0.711 177.584 176.870 0.005 0.000 1.134 357 L CA -0.011 54.841 54.840 0.020 0.000 0.807 357 L CB -0.243 41.828 42.059 0.020 0.000 0.927 357 L HN 0.145 nan 8.230 nan 0.000 0.447 358 L N 1.783 123.017 121.223 0.018 0.000 2.536 358 L HA 0.148 4.488 4.340 0.000 0.000 0.282 358 L C -0.577 176.397 176.870 0.172 0.000 1.147 358 L CA 0.662 55.518 54.840 0.025 0.000 0.936 358 L CB -0.348 41.698 42.059 -0.023 0.000 1.279 358 L HN 0.030 nan 8.230 nan 0.000 0.461 359 D N 2.737 123.279 120.400 0.236 0.000 2.746 359 D HA 0.229 4.869 4.640 0.000 0.000 0.211 359 D C 0.399 176.734 176.300 0.059 0.000 1.242 359 D CA 0.115 54.221 54.000 0.176 0.000 0.790 359 D CB 1.321 42.157 40.800 0.060 0.000 1.744 359 D HN 0.340 nan 8.370 nan 0.000 0.520 360 A N 3.189 125.899 122.820 -0.182 0.000 1.908 360 A HA 0.057 4.377 4.320 0.000 0.000 0.218 360 A C 2.109 179.648 177.584 -0.075 0.000 1.181 360 A CA 2.343 54.280 52.037 -0.167 0.000 0.627 360 A CB -0.777 18.023 19.000 -0.333 0.000 0.818 360 A HN 0.857 nan 8.150 nan 0.000 0.445 361 A N -1.201 121.572 122.820 -0.079 0.000 2.131 361 A HA 0.106 4.426 4.320 0.000 0.000 0.220 361 A C 1.966 179.534 177.584 -0.026 0.000 1.158 361 A CA 1.915 53.925 52.037 -0.045 0.000 0.665 361 A CB -0.367 18.608 19.000 -0.042 0.000 0.795 361 A HN 0.438 nan 8.150 nan 0.000 0.460 362 V N -1.285 118.616 119.914 -0.022 0.000 2.911 362 V HA -0.048 4.073 4.120 0.000 0.000 0.237 362 V C 2.247 178.318 176.094 -0.037 0.000 1.156 362 V CA 1.202 63.490 62.300 -0.021 0.000 1.180 362 V CB 0.486 32.299 31.823 -0.016 0.000 0.932 362 V HN 0.466 nan 8.190 nan 0.000 0.483 363 V N -1.136 118.739 119.914 -0.065 0.000 3.506 363 V HA 0.641 4.762 4.120 0.000 0.000 0.263 363 V C 0.923 177.014 176.094 -0.005 0.000 1.203 363 V CA 0.416 62.632 62.300 -0.139 0.000 1.133 363 V CB -0.780 30.757 31.823 -0.477 0.000 0.802 363 V HN 0.868 nan 8.190 nan 0.000 0.459 364 G N 0.554 109.369 108.800 0.024 0.000 2.777 364 G HA2 -0.214 3.746 3.960 0.000 0.000 0.686 364 G HA3 -0.214 3.746 3.960 0.000 0.000 0.686 364 G C -0.106 174.853 174.900 0.098 0.000 1.177 364 G CA 0.270 45.403 45.100 0.055 0.000 0.775 364 G HN 0.510 nan 8.290 nan 0.000 0.613 365 Q N 0.316 120.154 119.800 0.063 0.000 2.077 365 Q HA -0.143 4.197 4.340 0.000 0.000 0.206 365 Q C 2.386 178.484 176.000 0.164 0.000 0.989 365 Q CA 3.009 58.857 55.803 0.075 0.000 0.853 365 Q CB -0.258 28.497 28.738 0.028 0.000 0.907 365 Q HN 0.869 nan 8.270 nan 0.000 0.418 366 E N -1.282 119.004 120.200 0.143 0.000 2.038 366 E HA -0.288 4.062 4.350 0.000 0.000 0.195 366 E C 2.000 178.716 176.600 0.193 0.000 1.000 366 E CA 1.245 57.732 56.400 0.144 0.000 0.803 366 E CB -0.364 29.401 29.700 0.109 0.000 0.750 366 E HN 0.565 nan 8.360 nan 0.000 0.448 367 H N -0.192 118.935 119.070 0.095 0.000 2.319 367 H HA -0.228 4.328 4.556 0.000 0.000 0.297 367 H C 1.938 177.315 175.328 0.081 0.000 1.097 367 H CA 2.140 58.234 56.048 0.076 0.000 1.285 367 H CB -0.746 29.056 29.762 0.067 0.000 1.368 367 H HN 0.373 nan 8.280 nan 0.000 0.495 368 Y N 1.494 121.926 120.300 0.220 0.000 2.128 368 Y HA -0.230 4.321 4.550 0.001 0.000 0.284 368 Y C 2.233 178.190 175.900 0.095 0.000 1.154 368 Y CA 2.157 60.328 58.100 0.118 0.000 1.149 368 Y CB -0.214 38.271 38.460 0.042 0.000 0.976 368 Y HN 0.201 nan 8.280 nan 0.000 0.505 369 D N -0.492 120.091 120.400 0.306 0.000 2.117 369 D HA -0.191 4.449 4.640 0.000 0.000 0.197 369 D C 2.418 178.762 176.300 0.072 0.000 0.987 369 D CA 1.642 55.757 54.000 0.191 0.000 0.829 369 D CB -0.623 40.283 40.800 0.176 0.000 0.961 369 D HN 0.300 nan 8.370 nan 0.000 0.460 370 V N 1.610 121.567 119.914 0.071 0.000 2.231 370 V HA -0.313 3.807 4.120 0.000 0.000 0.248 370 V C 2.577 178.655 176.094 -0.026 0.000 1.054 370 V CA 2.097 64.419 62.300 0.037 0.000 1.015 370 V CB -1.049 30.792 31.823 0.030 0.000 0.638 370 V HN 0.223 nan 8.190 nan 0.000 0.444 371 A N -0.097 122.684 122.820 -0.065 0.000 1.915 371 A HA -0.320 4.001 4.320 0.000 0.000 0.220 371 A C 2.448 179.942 177.584 -0.150 0.000 1.198 371 A CA 2.936 54.894 52.037 -0.131 0.000 0.647 371 A CB -0.990 17.936 19.000 -0.123 0.000 0.825 371 A HN 0.573 nan 8.150 nan 0.000 0.456 372 S N -0.282 115.310 115.700 -0.181 0.000 2.348 372 S HA -0.156 4.314 4.470 0.000 0.000 0.221 372 S C 1.944 176.514 174.600 -0.049 0.000 1.033 372 S CA 1.565 59.681 58.200 -0.140 0.000 1.010 372 S CB -0.302 62.822 63.200 -0.126 0.000 0.891 372 S HN 0.654 nan 8.310 nan 0.000 0.442 373 K N 0.926 121.319 120.400 -0.012 0.000 2.032 373 K HA -0.054 4.266 4.320 0.000 0.000 0.209 373 K C 2.091 178.700 176.600 0.016 0.000 1.048 373 K CA 1.285 57.582 56.287 0.016 0.000 0.927 373 K CB -0.665 31.859 32.500 0.040 0.000 0.712 373 K HN 0.146 nan 8.250 nan 0.000 0.441 374 V N 2.256 122.173 119.914 0.005 0.000 2.370 374 V HA -0.312 3.808 4.120 0.000 0.000 0.252 374 V C 2.296 178.385 176.094 -0.008 0.000 1.068 374 V CA 1.865 64.166 62.300 0.003 0.000 1.061 374 V CB -0.553 31.223 31.823 -0.078 0.000 0.656 374 V HN 0.401 nan 8.190 nan 0.000 0.455 375 Q N -0.845 118.935 119.800 -0.033 0.000 2.187 375 Q HA -0.151 4.189 4.340 0.000 0.000 0.199 375 Q C 2.251 178.249 176.000 -0.003 0.000 0.957 375 Q CA 1.180 56.966 55.803 -0.027 0.000 0.857 375 Q CB -0.099 28.607 28.738 -0.054 0.000 0.929 375 Q HN 0.709 nan 8.270 nan 0.000 0.453 376 E N 0.329 120.530 120.200 0.002 0.000 2.072 376 E HA -0.126 4.224 4.350 0.000 0.000 0.191 376 E C 1.974 178.594 176.600 0.033 0.000 0.985 376 E CA 1.486 57.896 56.400 0.016 0.000 0.801 376 E CB 0.056 29.767 29.700 0.017 0.000 0.750 376 E HN 0.258 nan 8.360 nan 0.000 0.452 377 T N 1.501 116.079 114.554 0.039 0.000 2.746 377 T HA -0.125 4.225 4.350 0.000 0.000 0.267 377 T C 1.929 176.683 174.700 0.090 0.000 1.039 377 T CA 0.875 63.007 62.100 0.054 0.000 1.142 377 T CB -0.137 68.761 68.868 0.049 0.000 0.866 377 T HN 0.085 nan 8.240 nan 0.000 0.444 378 L N 0.534 121.810 121.223 0.088 0.000 2.179 378 L HA -0.030 4.311 4.340 0.000 0.000 0.208 378 L C 2.827 179.754 176.870 0.095 0.000 1.096 378 L CA 0.897 55.813 54.840 0.127 0.000 0.779 378 L CB -0.404 41.706 42.059 0.085 0.000 0.922 378 L HN 0.197 nan 8.230 nan 0.000 0.443 379 Q N 0.036 119.866 119.800 0.050 0.000 2.119 379 Q HA -0.144 4.197 4.340 0.000 0.000 0.201 379 Q C 2.033 178.057 176.000 0.039 0.000 0.972 379 Q CA 2.164 57.981 55.803 0.023 0.000 0.847 379 Q CB -0.323 28.419 28.738 0.006 0.000 0.903 379 Q HN 0.320 nan 8.270 nan 0.000 0.433 380 T N 0.211 114.804 114.554 0.064 0.000 2.720 380 T HA -0.169 4.181 4.350 0.000 0.000 0.268 380 T C 1.239 176.019 174.700 0.134 0.000 1.037 380 T CA 1.431 63.575 62.100 0.075 0.000 1.144 380 T CB -0.565 68.343 68.868 0.065 0.000 0.864 380 T HN 0.381 nan 8.240 nan 0.000 0.444 381 Y N 2.148 122.447 120.300 -0.003 0.000 2.133 381 Y HA -0.005 4.545 4.550 -0.000 0.000 0.287 381 Y C 2.375 178.273 175.900 -0.004 0.000 1.134 381 Y CA 1.068 59.166 58.100 -0.003 0.000 1.133 381 Y CB -0.602 37.857 38.460 -0.001 0.000 0.987 381 Y HN 0.037 nan 8.280 nan 0.000 0.502 382 K N -0.384 119.951 120.400 -0.109 0.000 2.103 382 K HA -0.165 4.155 4.320 0.000 0.000 0.207 382 K C 2.168 178.698 176.600 -0.116 0.000 1.048 382 K CA 1.691 57.855 56.287 -0.206 0.000 0.930 382 K CB -0.101 32.327 32.500 -0.121 0.000 0.716 382 K HN 0.318 nan 8.250 nan 0.000 0.444 383 S N 1.036 116.712 115.700 -0.040 0.000 2.355 383 S HA -0.075 4.395 4.470 0.000 0.000 0.222 383 S C 1.778 176.374 174.600 -0.006 0.000 1.031 383 S CA 1.010 59.199 58.200 -0.018 0.000 0.993 383 S CB -0.130 63.072 63.200 0.004 0.000 0.859 383 S HN 0.253 nan 8.310 nan 0.000 0.453 384 L N 1.549 122.790 121.223 0.030 0.000 2.376 384 L HA 0.001 4.341 4.340 0.000 0.000 0.219 384 L C 2.381 179.278 176.870 0.044 0.000 1.133 384 L CA 0.570 55.442 54.840 0.053 0.000 0.816 384 L CB -0.482 41.636 42.059 0.099 0.000 0.933 384 L HN 0.329 nan 8.230 nan 0.000 0.449 385 Q N 0.147 119.944 119.800 -0.004 0.000 2.368 385 Q HA -0.207 4.133 4.340 0.000 0.000 0.210 385 Q C 1.134 177.123 176.000 -0.019 0.000 0.982 385 Q CA 1.241 57.026 55.803 -0.030 0.000 0.884 385 Q CB -0.088 28.555 28.738 -0.158 0.000 0.933 385 Q HN 0.598 nan 8.270 nan 0.000 0.460 386 D N 0.324 120.714 120.400 -0.017 0.000 2.194 386 D HA -0.050 4.590 4.640 0.000 0.000 0.204 386 D C 1.619 177.919 176.300 0.001 0.000 0.964 386 D CA 0.772 54.765 54.000 -0.012 0.000 0.846 386 D CB 0.011 40.802 40.800 -0.014 0.000 0.962 386 D HN 0.235 nan 8.370 nan 0.000 0.490 387 I N 0.651 121.227 120.570 0.010 0.000 2.584 387 I HA -0.101 4.069 4.170 0.000 0.000 0.255 387 I C 1.613 177.743 176.117 0.022 0.000 1.145 387 I CA 0.306 61.615 61.300 0.015 0.000 1.462 387 I CB 0.132 38.143 38.000 0.018 0.000 1.102 387 I HN -0.052 nan 8.210 nan 0.000 0.433 388 I N 1.229 121.819 120.570 0.033 0.000 2.454 388 I HA -0.200 3.970 4.170 0.000 0.000 0.254 388 I C 2.778 178.911 176.117 0.026 0.000 1.156 388 I CA 1.193 62.518 61.300 0.041 0.000 1.433 388 I CB -1.594 36.452 38.000 0.076 0.000 1.082 388 I HN 0.137 nan 8.210 nan 0.000 0.432 389 A N 0.834 123.662 122.820 0.015 0.000 1.872 389 A HA -0.112 4.208 4.320 0.000 0.000 0.214 389 A C 2.264 179.852 177.584 0.006 0.000 1.187 389 A CA 1.451 53.492 52.037 0.007 0.000 0.614 389 A CB -0.453 18.546 19.000 -0.002 0.000 0.826 389 A HN 0.283 nan 8.150 nan 0.000 0.442 390 I N -1.624 118.950 120.570 0.006 0.000 2.927 390 I HA 0.081 4.251 4.170 0.000 0.000 0.268 390 I C 1.817 177.938 176.117 0.006 0.000 1.153 390 I CA 0.816 62.119 61.300 0.005 0.000 1.459 390 I CB 0.084 38.086 38.000 0.003 0.000 1.149 390 I HN 0.168 nan 8.210 nan 0.000 0.443 391 L N -0.584 120.645 121.223 0.008 0.000 2.470 391 L HA 0.468 4.808 4.340 0.000 0.000 0.219 391 L C 1.014 177.891 176.870 0.010 0.000 1.071 391 L CA 0.540 55.385 54.840 0.009 0.000 0.850 391 L CB -0.618 41.446 42.059 0.009 0.000 1.040 391 L HN 0.250 nan 8.230 nan 0.000 0.475 392 G N -0.713 108.096 108.800 0.014 0.000 2.787 392 G HA2 -0.348 3.612 3.960 0.000 0.000 0.685 392 G HA3 -0.348 3.612 3.960 0.000 0.000 0.685 392 G C 0.435 175.346 174.900 0.017 0.000 1.437 392 G CA 0.048 45.158 45.100 0.017 0.000 0.872 392 G HN 0.071 nan 8.290 nan 0.000 0.566 393 M N 0.024 119.635 119.600 0.019 0.000 2.152 393 M HA -0.191 4.289 4.480 0.000 0.000 0.251 393 M C 1.739 178.045 176.300 0.010 0.000 1.080 393 M CA 3.207 58.516 55.300 0.015 0.000 1.079 393 M CB -0.521 32.084 32.600 0.009 0.000 1.317 393 M HN 0.717 nan 8.290 nan 0.000 0.404 394 D N -0.902 119.502 120.400 0.007 0.000 2.379 394 D HA -0.087 4.554 4.640 0.000 0.000 0.243 394 D C 1.160 177.464 176.300 0.005 0.000 1.088 394 D CA 0.523 54.526 54.000 0.005 0.000 0.925 394 D CB 0.065 40.867 40.800 0.003 0.000 0.888 394 D HN 0.450 nan 8.370 nan 0.000 0.529 395 E N -0.948 119.256 120.200 0.008 0.000 2.526 395 E HA 0.225 4.575 4.350 0.000 0.000 0.208 395 E C -0.002 176.603 176.600 0.009 0.000 0.997 395 E CA -0.141 56.263 56.400 0.008 0.000 0.961 395 E CB 0.302 30.006 29.700 0.008 0.000 1.030 395 E HN 0.256 nan 8.360 nan 0.000 0.483 396 L N 1.693 122.922 121.223 0.010 0.000 2.439 396 L HA 0.178 4.518 4.340 0.000 0.000 0.269 396 L C 0.607 177.481 176.870 0.007 0.000 1.179 396 L CA -0.413 54.434 54.840 0.011 0.000 0.828 396 L CB 0.820 42.886 42.059 0.012 0.000 1.106 396 L HN 0.144 nan 8.230 nan 0.000 0.467 397 S N 1.146 116.850 115.700 0.007 0.000 2.584 397 S HA 0.044 4.514 4.470 0.000 0.000 0.270 397 S C 0.927 175.529 174.600 0.002 0.000 1.346 397 S CA -0.792 57.411 58.200 0.005 0.000 1.018 397 S CB 0.920 64.124 63.200 0.006 0.000 0.899 397 S HN 0.601 nan 8.310 nan 0.000 0.542 398 E N 1.160 121.361 120.200 0.001 0.000 2.077 398 E HA -0.260 4.090 4.350 0.000 0.000 0.193 398 E C 1.968 178.567 176.600 -0.002 0.000 0.989 398 E CA 1.360 57.760 56.400 -0.001 0.000 0.800 398 E CB -0.579 29.120 29.700 -0.001 0.000 0.746 398 E HN 0.893 nan 8.360 nan 0.000 0.452 399 Q N 0.625 120.426 119.800 0.001 0.000 2.096 399 Q HA -0.175 4.165 4.340 0.000 0.000 0.204 399 Q C 1.593 177.593 176.000 0.000 0.000 0.982 399 Q CA 1.592 57.396 55.803 0.002 0.000 0.850 399 Q CB 0.143 28.884 28.738 0.005 0.000 0.901 399 Q HN 0.191 nan 8.270 nan 0.000 0.422 400 D N -0.147 120.254 120.400 0.003 0.000 2.162 400 D HA -0.083 4.558 4.640 0.000 0.000 0.203 400 D C 1.702 177.997 176.300 -0.008 0.000 0.967 400 D CA 0.770 54.772 54.000 0.004 0.000 0.840 400 D CB 0.073 40.881 40.800 0.014 0.000 0.972 400 D HN 0.229 nan 8.370 nan 0.000 0.482 401 K N 0.498 120.892 120.400 -0.011 0.000 2.074 401 K HA -0.186 4.134 4.320 0.000 0.000 0.209 401 K C 2.118 178.695 176.600 -0.039 0.000 1.048 401 K CA 0.736 57.009 56.287 -0.023 0.000 0.926 401 K CB -0.215 32.276 32.500 -0.016 0.000 0.713 401 K HN 0.043 nan 8.250 nan 0.000 0.444 402 L N 1.191 122.397 121.223 -0.029 0.000 2.017 402 L HA -0.164 4.176 4.340 0.000 0.000 0.208 402 L C 2.108 178.951 176.870 -0.046 0.000 1.073 402 L CA 1.911 56.731 54.840 -0.033 0.000 0.745 402 L CB -0.722 41.326 42.059 -0.018 0.000 0.894 402 L HN 0.127 nan 8.230 nan 0.000 0.432 403 T N -1.200 113.333 114.554 -0.035 0.000 2.708 403 T HA -0.176 4.174 4.350 0.000 0.000 0.266 403 T C 1.965 176.614 174.700 -0.084 0.000 1.037 403 T CA 1.694 63.774 62.100 -0.034 0.000 1.146 403 T CB -0.458 68.408 68.868 -0.003 0.000 0.865 403 T HN 0.190 nan 8.240 nan 0.000 0.435 404 V N 1.535 121.382 119.914 -0.111 0.000 2.287 404 V HA -0.196 3.924 4.120 0.000 0.000 0.248 404 V C 2.489 178.372 176.094 -0.351 0.000 1.053 404 V CA 1.797 63.939 62.300 -0.263 0.000 1.027 404 V CB -0.618 31.103 31.823 -0.170 0.000 0.646 404 V HN 0.543 nan 8.190 nan 0.000 0.447 405 E N -0.468 119.609 120.200 -0.206 0.000 2.150 405 E HA -0.171 4.179 4.350 0.000 0.000 0.193 405 E C 2.466 178.954 176.600 -0.187 0.000 0.985 405 E CA 0.802 57.093 56.400 -0.180 0.000 0.814 405 E CB -0.131 29.506 29.700 -0.105 0.000 0.752 405 E HN 0.487 nan 8.360 nan 0.000 0.466 406 R N 0.076 120.484 120.500 -0.154 0.000 2.148 406 R HA 0.009 4.350 4.340 0.000 0.000 0.223 406 R C 2.200 178.408 176.300 -0.153 0.000 1.088 406 R CA 0.855 56.870 56.100 -0.141 0.000 0.985 406 R CB -0.051 30.207 30.300 -0.070 0.000 0.880 406 R HN 0.087 nan 8.270 nan 0.000 0.451 407 A N 1.160 123.873 122.820 -0.178 0.000 1.897 407 A HA -0.104 4.216 4.320 0.000 0.000 0.215 407 A C 2.064 179.552 177.584 -0.161 0.000 1.181 407 A CA 0.767 52.725 52.037 -0.132 0.000 0.620 407 A CB -0.255 18.665 19.000 -0.134 0.000 0.821 407 A HN 0.165 nan 8.150 nan 0.000 0.443 408 R N 0.049 120.343 120.500 -0.344 0.000 2.091 408 R HA -0.170 4.170 4.340 0.000 0.000 0.238 408 R C 2.174 178.397 176.300 -0.129 0.000 1.136 408 R CA 1.893 57.868 56.100 -0.209 0.000 0.959 408 R CB -0.302 29.850 30.300 -0.247 0.000 0.856 408 R HN 0.534 nan 8.270 nan 0.000 0.437 409 K N 0.538 120.781 120.400 -0.262 0.000 1.985 409 K HA -0.115 4.205 4.320 0.000 0.000 0.210 409 K C 2.083 178.494 176.600 -0.315 0.000 1.047 409 K CA 1.504 57.476 56.287 -0.524 0.000 0.932 409 K CB -0.288 31.610 32.500 -1.003 0.000 0.716 409 K HN 0.084 nan 8.250 nan 0.000 0.439 410 I N 1.460 121.944 120.570 -0.143 0.000 2.248 410 I HA -0.364 3.807 4.170 0.000 0.000 0.248 410 I C 2.727 179.002 176.117 0.264 0.000 1.107 410 I CA 1.338 62.744 61.300 0.178 0.000 1.373 410 I CB -0.246 37.887 38.000 0.222 0.000 1.055 410 I HN 0.303 nan 8.210 nan 0.000 0.418 411 Q N 0.468 120.363 119.800 0.159 0.000 2.050 411 Q HA -0.227 4.113 4.340 0.000 0.000 0.202 411 Q C 2.365 178.493 176.000 0.213 0.000 0.980 411 Q CA 1.710 57.622 55.803 0.180 0.000 0.840 411 Q CB 0.054 28.900 28.738 0.180 0.000 0.898 411 Q HN 0.403 nan 8.270 nan 0.000 0.424 412 R N -0.878 119.755 120.500 0.222 0.000 2.115 412 R HA -0.067 4.273 4.340 0.000 0.000 0.226 412 R C 1.917 178.434 176.300 0.362 0.000 1.100 412 R CA 0.745 57.032 56.100 0.311 0.000 0.980 412 R CB -0.173 30.326 30.300 0.332 0.000 0.875 412 R HN 0.189 nan 8.270 nan 0.000 0.445 413 F N 0.908 120.953 119.950 0.159 0.000 2.408 413 F HA -0.012 4.515 4.527 0.000 0.000 0.300 413 F C 1.310 177.258 175.800 0.246 0.000 1.090 413 F CA 0.982 59.076 58.000 0.157 0.000 1.427 413 F CB -0.010 38.984 39.000 -0.009 0.000 1.070 413 F HN -0.036 nan 8.300 nan 0.000 0.549 414 L N -0.532 120.901 121.223 0.349 0.000 2.558 414 L HA 0.041 4.381 4.340 0.000 0.000 0.225 414 L C 1.261 178.195 176.870 0.106 0.000 1.128 414 L CA 0.156 55.116 54.840 0.200 0.000 0.868 414 L CB -0.582 41.564 42.059 0.144 0.000 1.006 414 L HN 0.035 nan 8.230 nan 0.000 0.454 415 S N -0.392 115.368 115.700 0.100 0.000 2.603 415 S HA 0.424 4.894 4.470 0.000 0.000 0.268 415 S C -0.366 174.197 174.600 -0.061 0.000 1.317 415 S CA -0.467 57.724 58.200 -0.014 0.000 1.012 415 S CB 2.083 65.237 63.200 -0.077 0.000 0.926 415 S HN 0.263 nan 8.310 nan 0.000 0.539 416 Q N 0.353 120.062 119.800 -0.151 0.000 2.438 416 Q HA 0.389 4.729 4.340 0.000 0.000 0.272 416 Q C -3.134 172.739 176.000 -0.213 0.000 0.994 416 Q CA -1.766 53.962 55.803 -0.125 0.000 0.887 416 Q CB 2.330 31.051 28.738 -0.027 0.000 1.432 416 Q HN 0.557 nan 8.270 nan 0.000 0.392 417 P HA 0.218 nan 4.420 nan 0.000 0.282 417 P C -1.000 176.357 177.300 0.096 0.000 1.274 417 P CA -0.115 62.946 63.100 -0.066 0.000 0.770 417 P CB 0.229 31.910 31.700 -0.030 0.000 0.867 418 F N 1.873 121.807 119.950 -0.027 0.000 2.389 418 F HA 0.322 4.850 4.527 0.001 0.000 0.337 418 F C 1.900 177.675 175.800 -0.041 0.000 1.112 418 F CA -1.194 56.777 58.000 -0.049 0.000 1.192 418 F CB 0.031 38.996 39.000 -0.059 0.000 1.185 418 F HN 0.387 nan 8.300 nan 0.000 0.552 419 A N 2.419 125.319 122.820 0.133 0.000 1.902 419 A HA -0.094 4.226 4.320 0.000 0.000 0.217 419 A C 2.114 179.714 177.584 0.026 0.000 1.181 419 A CA 1.729 53.790 52.037 0.040 0.000 0.623 419 A CB -0.948 18.046 19.000 -0.010 0.000 0.818 419 A HN 0.544 nan 8.150 nan 0.000 0.443 420 V N -0.599 119.338 119.914 0.038 0.000 2.913 420 V HA -0.105 4.016 4.120 0.000 0.000 0.260 420 V C 2.414 178.550 176.094 0.069 0.000 1.098 420 V CA 1.543 63.861 62.300 0.029 0.000 1.121 420 V CB -0.556 31.277 31.823 0.017 0.000 0.714 420 V HN 0.600 nan 8.190 nan 0.000 0.487 421 A N -0.955 121.951 122.820 0.144 0.000 2.345 421 A HA 0.122 4.442 4.320 0.000 0.000 0.225 421 A C 1.921 179.521 177.584 0.026 0.000 1.243 421 A CA 0.425 52.573 52.037 0.185 0.000 0.875 421 A CB -0.196 18.945 19.000 0.235 0.000 0.929 421 A HN 0.535 nan 8.150 nan 0.000 0.502 422 E N 0.285 120.454 120.200 -0.053 0.000 2.077 422 E HA -0.180 4.170 4.350 0.000 0.000 0.193 422 E C 1.893 178.400 176.600 -0.154 0.000 0.989 422 E CA 1.924 58.280 56.400 -0.074 0.000 0.800 422 E CB -0.224 29.437 29.700 -0.065 0.000 0.746 422 E HN 0.557 nan 8.360 nan 0.000 0.452 423 V N -1.216 118.497 119.914 -0.334 0.000 2.688 423 V HA -0.191 3.929 4.120 0.000 0.000 0.256 423 V C 1.582 177.420 176.094 -0.427 0.000 1.084 423 V CA 1.470 63.505 62.300 -0.442 0.000 1.103 423 V CB -0.828 30.624 31.823 -0.618 0.000 0.688 423 V HN 0.187 nan 8.190 nan 0.000 0.480 424 F N 1.688 121.619 119.950 -0.032 0.000 2.746 424 F HA 0.245 4.772 4.527 0.001 0.000 0.297 424 F C 2.218 178.002 175.800 -0.028 0.000 1.113 424 F CA 0.821 58.794 58.000 -0.045 0.000 1.367 424 F CB -0.493 38.445 39.000 -0.103 0.000 1.111 424 F HN 0.371 nan 8.300 nan 0.000 0.590 425 T N -5.174 109.438 114.554 0.096 0.000 3.028 425 T HA 0.451 4.802 4.350 0.000 0.000 0.250 425 T C 1.886 176.614 174.700 0.045 0.000 0.979 425 T CA 0.618 62.764 62.100 0.078 0.000 1.004 425 T CB 0.248 69.151 68.868 0.059 0.000 1.120 425 T HN 0.243 nan 8.240 nan 0.000 0.482 426 G N 1.900 110.707 108.800 0.011 0.000 2.176 426 G HA2 -0.193 3.767 3.960 0.000 0.000 0.253 426 G HA3 -0.193 3.767 3.960 0.000 0.000 0.253 426 G C 0.010 174.912 174.900 0.004 0.000 0.979 426 G CA 0.160 45.261 45.100 0.002 0.000 0.641 426 G HN 0.696 nan 8.290 nan 0.000 0.530 427 I N 3.225 123.799 120.570 0.007 0.000 2.342 427 I HA 0.323 4.494 4.170 0.000 0.000 0.291 427 I C -1.534 174.582 176.117 -0.002 0.000 1.010 427 I CA -2.434 58.867 61.300 0.003 0.000 1.308 427 I CB 1.300 39.300 38.000 -0.001 0.000 1.400 427 I HN -0.104 nan 8.210 nan 0.000 0.488 428 P HA 0.017 nan 4.420 nan 0.000 0.266 428 P C 0.034 177.338 177.300 0.008 0.000 1.195 428 P CA -0.131 62.968 63.100 -0.002 0.000 0.768 428 P CB 0.442 32.139 31.700 -0.005 0.000 0.838 429 G N 3.232 112.043 108.800 0.019 0.000 2.378 429 G HA2 0.176 4.137 3.960 0.000 0.000 0.255 429 G HA3 0.176 4.137 3.960 0.000 0.000 0.255 429 G C -0.156 174.765 174.900 0.035 0.000 1.270 429 G CA -0.437 44.691 45.100 0.046 0.000 0.876 429 G HN 0.312 nan 8.290 nan 0.000 0.521 430 K N 1.956 122.384 120.400 0.046 0.000 2.235 430 K HA 0.301 4.621 4.320 0.000 0.000 0.266 430 K C -0.848 175.779 176.600 0.045 0.000 0.980 430 K CA -0.669 55.637 56.287 0.032 0.000 0.849 430 K CB 2.494 35.006 32.500 0.020 0.000 1.098 430 K HN 0.415 nan 8.250 nan 0.000 0.445 431 L N 3.353 124.589 121.223 0.022 0.000 2.298 431 L HA 0.342 4.682 4.340 0.000 0.000 0.284 431 L C -1.128 175.746 176.870 0.007 0.000 1.013 431 L CA -0.715 54.132 54.840 0.011 0.000 0.824 431 L CB 1.324 43.378 42.059 -0.009 0.000 1.221 431 L HN 0.216 nan 8.230 nan 0.000 0.418 432 V N 5.309 125.227 119.914 0.007 0.000 2.370 432 V HA 0.510 4.630 4.120 0.000 0.000 0.283 432 V C 0.192 176.286 176.094 0.001 0.000 1.023 432 V CA -0.898 61.403 62.300 0.002 0.000 0.857 432 V CB 1.249 33.068 31.823 -0.007 0.000 0.985 432 V HN 0.685 nan 8.190 nan 0.000 0.443 433 R N 2.932 123.435 120.500 0.005 0.000 2.640 433 R HA 0.062 4.403 4.340 0.000 0.000 0.270 433 R C 1.292 177.598 176.300 0.009 0.000 1.024 433 R CA -0.043 56.063 56.100 0.010 0.000 1.085 433 R CB 0.026 30.335 30.300 0.014 0.000 0.963 433 R HN 0.791 nan 8.270 nan 0.000 0.426 434 L N 3.324 124.556 121.223 0.016 0.000 2.012 434 L HA -0.242 4.098 4.340 0.000 0.000 0.210 434 L C 1.864 178.738 176.870 0.008 0.000 1.073 434 L CA 1.800 56.651 54.840 0.019 0.000 0.748 434 L CB -0.088 42.006 42.059 0.057 0.000 0.891 434 L HN 0.566 nan 8.230 nan 0.000 0.431 435 K N -0.306 120.110 120.400 0.026 0.000 2.152 435 K HA -0.176 4.144 4.320 0.000 0.000 0.206 435 K C 1.618 178.230 176.600 0.020 0.000 1.048 435 K CA 1.603 57.906 56.287 0.026 0.000 0.933 435 K CB -0.203 32.319 32.500 0.037 0.000 0.721 435 K HN 0.527 nan 8.250 nan 0.000 0.447 436 D N -0.123 120.289 120.400 0.020 0.000 2.194 436 D HA -0.071 4.569 4.640 0.000 0.000 0.204 436 D C 1.769 178.087 176.300 0.030 0.000 0.964 436 D CA 1.039 55.055 54.000 0.026 0.000 0.846 436 D CB -0.098 40.715 40.800 0.022 0.000 0.962 436 D HN 0.107 nan 8.370 nan 0.000 0.490 437 T N 1.337 115.900 114.554 0.014 0.000 2.643 437 T HA -0.113 4.237 4.350 0.000 0.000 0.264 437 T C 2.350 177.119 174.700 0.115 0.000 1.045 437 T CA 1.095 63.225 62.100 0.050 0.000 1.155 437 T CB -0.384 68.479 68.868 -0.009 0.000 0.863 437 T HN -0.065 nan 8.240 nan 0.000 0.420 438 V N 2.166 122.055 119.914 -0.041 0.000 2.215 438 V HA -0.286 3.834 4.120 0.000 0.000 0.249 438 V C 2.919 179.053 176.094 0.067 0.000 1.054 438 V CA 2.079 64.330 62.300 -0.081 0.000 1.012 438 V CB -1.498 30.210 31.823 -0.190 0.000 0.639 438 V HN 0.581 nan 8.190 nan 0.000 0.448 439 A N -0.659 122.197 122.820 0.060 0.000 1.958 439 A HA -0.288 4.032 4.320 0.000 0.000 0.221 439 A C 2.454 180.114 177.584 0.127 0.000 1.178 439 A CA 2.640 54.730 52.037 0.088 0.000 0.642 439 A CB -0.853 18.190 19.000 0.070 0.000 0.816 439 A HN 0.534 nan 8.150 nan 0.000 0.453 440 S N -1.118 114.659 115.700 0.129 0.000 2.343 440 S HA -0.093 4.377 4.470 0.000 0.000 0.219 440 S C 1.628 176.320 174.600 0.152 0.000 1.033 440 S CA 1.597 59.876 58.200 0.132 0.000 1.014 440 S CB -0.530 62.725 63.200 0.091 0.000 0.915 440 S HN 0.563 nan 8.310 nan 0.000 0.435 441 F N 1.812 121.856 119.950 0.156 0.000 2.134 441 F HA -0.037 4.491 4.527 0.000 0.000 0.299 441 F C 2.309 178.182 175.800 0.121 0.000 1.097 441 F CA 1.155 59.247 58.000 0.153 0.000 1.264 441 F CB -0.407 38.617 39.000 0.040 0.000 1.001 441 F HN 0.100 nan 8.300 nan 0.000 0.479 442 K N 0.549 121.103 120.400 0.257 0.000 2.032 442 K HA -0.313 4.007 4.320 0.000 0.000 0.218 442 K C 2.278 178.980 176.600 0.169 0.000 1.054 442 K CA 1.797 58.187 56.287 0.172 0.000 0.941 442 K CB -0.502 32.075 32.500 0.129 0.000 0.720 442 K HN 0.231 nan 8.250 nan 0.000 0.449 443 A N 0.390 123.326 122.820 0.193 0.000 1.883 443 A HA -0.147 4.173 4.320 0.000 0.000 0.217 443 A C 2.278 180.016 177.584 0.257 0.000 1.186 443 A CA 1.981 54.157 52.037 0.232 0.000 0.624 443 A CB -0.752 18.468 19.000 0.367 0.000 0.822 443 A HN 0.218 nan 8.150 nan 0.000 0.444 444 V N 0.074 120.139 119.914 0.252 0.000 2.332 444 V HA -0.278 3.842 4.120 0.000 0.000 0.248 444 V C 2.552 178.723 176.094 0.129 0.000 1.055 444 V CA 2.026 64.441 62.300 0.192 0.000 1.038 444 V CB -0.845 31.019 31.823 0.069 0.000 0.651 444 V HN 0.562 nan 8.190 nan 0.000 0.450 445 L N -0.343 120.965 121.223 0.140 0.000 2.093 445 L HA -0.161 4.179 4.340 0.000 0.000 0.208 445 L C 2.483 179.399 176.870 0.075 0.000 1.085 445 L CA 1.585 56.487 54.840 0.104 0.000 0.755 445 L CB -0.609 41.520 42.059 0.116 0.000 0.904 445 L HN 0.354 nan 8.230 nan 0.000 0.435 446 E N -0.185 120.064 120.200 0.081 0.000 2.347 446 E HA -0.058 4.292 4.350 0.000 0.000 0.196 446 E C 1.403 178.022 176.600 0.032 0.000 1.008 446 E CA 0.587 57.019 56.400 0.052 0.000 0.852 446 E CB 0.016 29.747 29.700 0.052 0.000 0.783 446 E HN 0.582 nan 8.360 nan 0.000 0.505 447 G N 1.365 110.190 108.800 0.043 0.000 2.141 447 G HA2 -0.254 3.706 3.960 0.000 0.000 0.231 447 G HA3 -0.254 3.706 3.960 0.000 0.000 0.231 447 G C 0.843 175.729 174.900 -0.024 0.000 0.984 447 G CA 0.269 45.382 45.100 0.020 0.000 0.660 447 G HN 0.072 nan 8.290 nan 0.000 0.525 448 K N -0.546 119.814 120.400 -0.066 0.000 2.442 448 K HA -0.012 4.308 4.320 0.000 0.000 0.198 448 K C 0.646 176.911 176.600 -0.559 0.000 1.044 448 K CA 1.075 57.174 56.287 -0.314 0.000 0.948 448 K CB -0.060 32.194 32.500 -0.410 0.000 0.762 448 K HN 0.642 nan 8.250 nan 0.000 0.472 449 Y N -0.049 120.271 120.300 0.033 0.000 2.696 449 Y HA 0.160 4.710 4.550 0.000 0.000 0.255 449 Y C 0.641 176.597 175.900 0.094 0.000 1.103 449 Y CA -0.696 57.441 58.100 0.060 0.000 1.126 449 Y CB 0.602 39.122 38.460 0.100 0.000 1.197 449 Y HN -0.091 nan 8.280 nan 0.000 0.574 450 D N 0.205 120.676 120.400 0.119 0.000 2.277 450 D HA -0.115 4.525 4.640 0.000 0.000 0.208 450 D C 1.646 177.992 176.300 0.077 0.000 0.962 450 D CA 0.983 55.032 54.000 0.083 0.000 0.865 450 D CB 0.025 40.842 40.800 0.028 0.000 0.939 450 D HN 0.465 nan 8.370 nan 0.000 0.510 451 N N 0.743 119.480 118.700 0.063 0.000 2.457 451 N HA -0.099 4.641 4.740 0.000 0.000 0.180 451 N C 0.563 176.115 175.510 0.069 0.000 1.050 451 N CA 0.036 53.114 53.050 0.048 0.000 0.906 451 N CB -0.319 38.179 38.487 0.019 0.000 0.968 451 N HN 0.063 nan 8.380 nan 0.000 0.445 452 I N 3.478 124.116 120.570 0.114 0.000 2.598 452 I HA 0.094 4.265 4.170 0.000 0.000 0.284 452 I C -1.742 174.468 176.117 0.155 0.000 1.140 452 I CA -2.132 59.224 61.300 0.093 0.000 1.420 452 I CB 0.232 38.254 38.000 0.036 0.000 1.387 452 I HN 0.094 nan 8.210 nan 0.000 0.553 453 P HA 0.031 nan 4.420 nan 0.000 0.272 453 P C 0.321 177.750 177.300 0.216 0.000 1.240 453 P CA -0.223 62.947 63.100 0.117 0.000 0.791 453 P CB 0.765 32.508 31.700 0.071 0.000 0.978 454 E N -0.144 120.179 120.200 0.206 0.000 2.152 454 E HA -0.222 4.128 4.350 0.000 0.000 0.192 454 E C 1.625 178.414 176.600 0.316 0.000 0.983 454 E CA 0.841 57.394 56.400 0.255 0.000 0.818 454 E CB -0.276 29.497 29.700 0.122 0.000 0.758 454 E HN 0.531 nan 8.360 nan 0.000 0.467 455 H N -0.874 118.269 119.070 0.123 0.000 2.547 455 H HA 0.167 4.724 4.556 0.001 0.000 0.272 455 H C 1.316 176.709 175.328 0.109 0.000 0.989 455 H CA 1.024 57.133 56.048 0.103 0.000 1.214 455 H CB 0.181 29.965 29.762 0.037 0.000 1.389 455 H HN 0.176 nan 8.280 nan 0.000 0.577 456 A N -0.966 121.850 122.820 -0.006 0.000 2.206 456 A HA 0.050 4.371 4.320 0.000 0.000 0.211 456 A C 1.222 178.579 177.584 -0.379 0.000 1.158 456 A CA 0.304 52.208 52.037 -0.222 0.000 0.761 456 A CB -0.641 18.178 19.000 -0.302 0.000 0.801 456 A HN 0.413 nan 8.150 nan 0.000 0.473 457 F N -2.512 117.357 119.950 -0.136 0.000 2.714 457 F HA 0.209 4.736 4.527 0.000 0.000 0.294 457 F C 0.715 176.525 175.800 0.016 0.000 1.120 457 F CA -0.206 57.687 58.000 -0.179 0.000 1.398 457 F CB 0.060 38.939 39.000 -0.201 0.000 1.120 457 F HN 0.302 nan 8.300 nan 0.000 0.589 458 Y N 1.118 121.439 120.300 0.035 0.000 2.335 458 Y HA 0.355 4.906 4.550 0.001 0.000 0.331 458 Y C 0.630 176.512 175.900 -0.029 0.000 1.094 458 Y CA -1.659 56.448 58.100 0.013 0.000 1.253 458 Y CB 0.510 38.933 38.460 -0.061 0.000 1.203 458 Y HN 0.123 nan 8.280 nan 0.000 0.508 459 M N 5.222 124.476 119.600 -0.577 0.000 2.350 459 M HA -0.158 4.323 4.480 0.000 0.000 0.190 459 M C -1.648 174.536 176.300 -0.195 0.000 0.710 459 M CA 1.254 56.246 55.300 -0.512 0.000 0.495 459 M CB -1.610 30.543 32.600 -0.745 0.000 1.136 459 M HN 0.528 nan 8.290 nan 0.000 0.901 460 V N -2.964 116.904 119.914 -0.076 0.000 3.076 460 V HA 1.111 5.231 4.120 0.000 0.000 0.311 460 V C 0.637 176.754 176.094 0.040 0.000 1.346 460 V CA -0.340 61.952 62.300 -0.013 0.000 1.056 460 V CB 1.309 33.125 31.823 -0.011 0.000 1.093 460 V HN 0.480 nan 8.190 nan 0.000 0.468 461 G N -0.608 108.221 108.800 0.049 0.000 3.365 461 G HA2 0.625 4.585 3.960 0.000 0.000 0.185 461 G HA3 0.625 4.585 3.960 0.000 0.000 0.185 461 G C 0.415 175.369 174.900 0.089 0.000 1.565 461 G CA -0.169 44.959 45.100 0.046 0.000 0.984 461 G HN 1.406 nan 8.290 nan 0.000 0.604 462 G N -0.999 107.835 108.800 0.057 0.000 2.599 462 G HA2 0.359 4.319 3.960 0.000 0.000 0.264 462 G HA3 0.359 4.319 3.960 0.000 0.000 0.264 462 G C 0.915 175.889 174.900 0.124 0.000 1.200 462 G CA -0.159 44.987 45.100 0.076 0.000 0.896 462 G HN 0.413 nan 8.290 nan 0.000 0.536 463 I N -0.300 120.357 120.570 0.144 0.000 2.229 463 I HA -0.234 3.937 4.170 0.000 0.000 0.250 463 I C 2.503 178.525 176.117 -0.159 0.000 1.096 463 I CA 1.822 63.088 61.300 -0.056 0.000 1.358 463 I CB -0.116 37.798 38.000 -0.143 0.000 1.047 463 I HN 0.746 nan 8.210 nan 0.000 0.422 464 E N 0.019 120.180 120.200 -0.065 0.000 2.147 464 E HA -0.280 4.070 4.350 0.000 0.000 0.199 464 E C 1.659 178.210 176.600 -0.082 0.000 1.005 464 E CA 1.687 58.053 56.400 -0.057 0.000 0.810 464 E CB -0.167 29.521 29.700 -0.020 0.000 0.736 464 E HN 0.607 nan 8.360 nan 0.000 0.460 465 D N -0.477 119.877 120.400 -0.076 0.000 2.183 465 D HA -0.095 4.545 4.640 0.000 0.000 0.203 465 D C 2.017 178.216 176.300 -0.168 0.000 0.969 465 D CA 0.458 54.407 54.000 -0.086 0.000 0.842 465 D CB -0.090 40.687 40.800 -0.039 0.000 0.957 465 D HN 0.038 nan 8.370 nan 0.000 0.484 466 V N 0.517 120.263 119.914 -0.280 0.000 2.261 466 V HA -0.204 3.916 4.120 0.000 0.000 0.246 466 V C 2.635 178.492 176.094 -0.395 0.000 1.047 466 V CA 1.049 63.045 62.300 -0.506 0.000 1.015 466 V CB -0.672 30.607 31.823 -0.906 0.000 0.642 466 V HN 0.064 nan 8.190 nan 0.000 0.446 467 V N 0.175 119.908 119.914 -0.300 0.000 2.324 467 V HA -0.320 3.800 4.120 0.000 0.000 0.250 467 V C 2.702 178.725 176.094 -0.118 0.000 1.060 467 V CA 2.283 64.487 62.300 -0.160 0.000 1.042 467 V CB -0.928 30.854 31.823 -0.069 0.000 0.650 467 V HN 0.580 nan 8.190 nan 0.000 0.450 468 A N -0.820 121.933 122.820 -0.111 0.000 1.877 468 A HA -0.262 4.058 4.320 0.000 0.000 0.216 468 A C 2.347 179.883 177.584 -0.080 0.000 1.186 468 A CA 2.146 54.137 52.037 -0.077 0.000 0.620 468 A CB -0.482 18.480 19.000 -0.063 0.000 0.822 468 A HN 0.523 nan 8.150 nan 0.000 0.443 469 K N -0.441 119.892 120.400 -0.111 0.000 2.155 469 K HA 0.023 4.344 4.320 0.000 0.000 0.203 469 K C 2.030 178.575 176.600 -0.092 0.000 1.052 469 K CA 0.948 57.176 56.287 -0.098 0.000 0.948 469 K CB -0.254 32.170 32.500 -0.126 0.000 0.728 469 K HN 0.367 nan 8.250 nan 0.000 0.448 470 A N 1.134 123.877 122.820 -0.129 0.000 2.015 470 A HA -0.151 4.169 4.320 0.000 0.000 0.219 470 A C 1.638 179.189 177.584 -0.054 0.000 1.163 470 A CA 1.387 53.363 52.037 -0.101 0.000 0.646 470 A CB -0.280 18.638 19.000 -0.137 0.000 0.806 470 A HN 0.434 nan 8.150 nan 0.000 0.448 471 E N -0.522 119.648 120.200 -0.050 0.000 2.158 471 E HA -0.135 4.215 4.350 0.000 0.000 0.191 471 E C 1.992 178.580 176.600 -0.020 0.000 0.982 471 E CA 1.155 57.538 56.400 -0.030 0.000 0.823 471 E CB -0.055 29.628 29.700 -0.028 0.000 0.766 471 E HN 0.681 nan 8.360 nan 0.000 0.468 472 K N 1.119 121.507 120.400 -0.021 0.000 2.001 472 K HA -0.100 4.220 4.320 0.000 0.000 0.208 472 K C 1.915 178.517 176.600 0.003 0.000 1.048 472 K CA 0.950 57.232 56.287 -0.008 0.000 0.932 472 K CB -0.017 32.479 32.500 -0.007 0.000 0.715 472 K HN 0.043 nan 8.250 nan 0.000 0.437 473 L N 0.595 121.823 121.223 0.007 0.000 2.376 473 L HA -0.016 4.324 4.340 0.000 0.000 0.219 473 L C 2.156 179.032 176.870 0.011 0.000 1.133 473 L CA 0.613 55.466 54.840 0.021 0.000 0.816 473 L CB -0.232 41.853 42.059 0.044 0.000 0.933 473 L HN 0.282 nan 8.230 nan 0.000 0.449 474 A N -0.272 122.549 122.820 0.001 0.000 2.209 474 A HA 0.360 4.680 4.320 0.000 0.000 0.212 474 A C 1.116 178.700 177.584 0.000 0.000 1.158 474 A CA 1.029 53.065 52.037 -0.001 0.000 0.742 474 A CB -0.357 18.640 19.000 -0.006 0.000 0.790 474 A HN 0.343 nan 8.150 nan 0.000 0.472 475 A N 0.000 122.821 122.820 0.002 0.000 2.254 475 A HA 0.000 4.320 4.320 0.000 0.000 0.244 475 A CA 0.000 52.038 52.037 0.002 0.000 0.836 475 A CB 0.000 19.000 19.000 0.000 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486