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 2hld_1_M 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 PSAVGYQPTL 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 0.000 174.603 174.600 0.005 0.000 1.055 6 S CA 0.000 58.202 58.200 0.004 0.000 1.107 6 S CB 0.000 63.202 63.200 0.003 0.000 0.593 7 T N 2.914 117.471 114.554 0.006 0.000 2.853 7 T HA 0.725 5.075 4.350 -0.000 0.000 0.317 7 T C -2.701 172.006 174.700 0.012 0.000 1.059 7 T CA -1.226 60.879 62.100 0.008 0.000 0.954 7 T CB 0.841 69.713 68.868 0.006 0.000 0.994 7 T HN 0.127 nan 8.240 nan 0.000 0.479 8 P HA 0.534 nan 4.420 nan 0.000 0.284 8 P C -0.509 176.816 177.300 0.042 0.000 1.253 8 P CA -0.833 62.283 63.100 0.027 0.000 0.800 8 P CB 0.786 32.502 31.700 0.027 0.000 0.961 9 I N 1.451 122.052 120.570 0.053 0.000 2.396 9 I HA 0.244 4.414 4.170 -0.000 0.000 0.289 9 I C 0.512 176.739 176.117 0.185 0.000 1.056 9 I CA 0.335 61.690 61.300 0.091 0.000 1.365 9 I CB 0.596 38.610 38.000 0.024 0.000 1.407 9 I HN 0.241 nan 8.210 nan 0.000 0.509 10 T N 4.347 119.032 114.554 0.218 0.000 2.876 10 T HA 0.710 5.060 4.350 -0.000 0.000 0.289 10 T C 0.018 174.771 174.700 0.088 0.000 1.014 10 T CA -0.646 61.549 62.100 0.158 0.000 0.986 10 T CB 1.886 70.782 68.868 0.047 0.000 1.021 10 T HN 0.833 nan 8.240 nan 0.000 0.458 11 G N 1.574 110.231 108.800 -0.238 0.000 2.818 11 G HA2 0.755 4.715 3.960 -0.000 0.000 0.286 11 G HA3 0.755 4.715 3.960 -0.000 0.000 0.286 11 G C -1.641 172.965 174.900 -0.490 0.000 1.364 11 G CA -0.793 43.810 45.100 -0.828 0.000 0.938 11 G HN 0.557 nan 8.290 nan 0.000 0.490 12 K N 0.090 120.212 120.400 -0.464 0.000 2.397 12 K HA 0.479 4.799 4.320 -0.000 0.000 0.253 12 K C -0.744 175.742 176.600 -0.191 0.000 0.932 12 K CA -0.702 55.430 56.287 -0.257 0.000 0.795 12 K CB 2.870 35.247 32.500 -0.205 0.000 1.159 12 K HN 0.241 nan 8.250 nan 0.000 0.424 13 V N 3.016 122.854 119.914 -0.126 0.000 2.529 13 V HA -0.049 4.071 4.120 -0.000 0.000 0.292 13 V C 1.382 177.448 176.094 -0.046 0.000 1.028 13 V CA 0.723 62.979 62.300 -0.074 0.000 1.074 13 V CB 0.679 32.473 31.823 -0.049 0.000 0.958 13 V HN 1.045 nan 8.190 nan 0.000 0.481 14 T N 1.117 115.657 114.554 -0.024 0.000 2.969 14 T HA 0.589 4.939 4.350 -0.000 0.000 0.250 14 T C 0.360 175.057 174.700 -0.004 0.000 1.021 14 T CA 0.466 62.562 62.100 -0.006 0.000 1.003 14 T CB 0.575 69.452 68.868 0.016 0.000 1.040 14 T HN 1.041 nan 8.240 nan 0.000 0.492 15 A N 0.453 123.271 122.820 -0.004 0.000 2.566 15 A HA 0.674 4.994 4.320 -0.000 0.000 0.297 15 A C -1.661 175.923 177.584 -0.000 0.000 1.059 15 A CA -0.699 51.337 52.037 -0.001 0.000 0.691 15 A CB 1.790 20.791 19.000 0.002 0.000 1.282 15 A HN 0.351 nan 8.150 nan 0.000 0.401 16 V N 2.870 122.783 119.914 -0.001 0.000 2.509 16 V HA 0.448 4.568 4.120 -0.000 0.000 0.289 16 V C -0.899 175.195 176.094 0.000 0.000 1.026 16 V CA 0.006 62.306 62.300 0.000 0.000 0.872 16 V CB 1.119 32.941 31.823 -0.002 0.000 1.017 16 V HN 0.710 nan 8.190 nan 0.000 0.436 17 I N 4.320 124.891 120.570 0.001 0.000 2.439 17 I HA 0.667 4.837 4.170 -0.000 0.000 0.283 17 I C 1.107 177.224 176.117 -0.000 0.000 1.023 17 I CA 0.046 61.346 61.300 0.000 0.000 1.100 17 I CB 1.510 39.511 38.000 0.000 0.000 1.238 17 I HN 0.802 nan 8.210 nan 0.000 0.445 18 G N 5.049 113.848 108.800 -0.001 0.000 2.629 18 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.313 18 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.313 18 G C 0.824 175.724 174.900 -0.000 0.000 1.217 18 G CA 0.587 45.686 45.100 -0.002 0.000 0.994 18 G HN 0.849 nan 8.290 nan 0.000 0.549 19 A N -0.581 122.239 122.820 -0.001 0.000 2.275 19 A HA 0.583 4.903 4.320 -0.000 0.000 0.212 19 A C 0.833 178.421 177.584 0.006 0.000 1.201 19 A CA 0.670 52.708 52.037 0.002 0.000 0.843 19 A CB 0.032 19.031 19.000 -0.002 0.000 0.873 19 A HN 0.595 nan 8.150 nan 0.000 0.492 20 I N 1.317 121.891 120.570 0.006 0.000 2.331 20 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 20 I C -0.444 175.681 176.117 0.013 0.000 0.998 20 I CA -0.807 60.500 61.300 0.011 0.000 1.267 20 I CB 0.952 38.957 38.000 0.008 0.000 1.386 20 I HN -0.121 nan 8.210 nan 0.000 0.476 21 V N 5.683 125.609 119.914 0.020 0.000 2.604 21 V HA 0.434 4.554 4.120 -0.000 0.000 0.305 21 V C -0.555 175.556 176.094 0.027 0.000 1.043 21 V CA -0.820 61.491 62.300 0.019 0.000 0.888 21 V CB 2.341 34.175 31.823 0.018 0.000 0.995 21 V HN 0.550 nan 8.190 nan 0.000 0.429 22 D N 2.813 123.224 120.400 0.019 0.000 2.217 22 D HA 0.622 5.262 4.640 -0.000 0.000 0.243 22 D C -0.564 175.743 176.300 0.011 0.000 1.054 22 D CA -0.060 53.955 54.000 0.025 0.000 0.838 22 D CB 2.172 42.982 40.800 0.018 0.000 1.162 22 D HN 0.284 nan 8.370 nan 0.000 0.472 23 V N 2.042 121.969 119.914 0.022 0.000 2.680 23 V HA 0.295 4.415 4.120 -0.000 0.000 0.309 23 V C -0.412 175.673 176.094 -0.015 0.000 1.052 23 V CA -0.853 61.411 62.300 -0.059 0.000 0.908 23 V CB 1.984 33.740 31.823 -0.111 0.000 1.001 23 V HN 0.541 nan 8.190 nan 0.000 0.431 24 H N 3.352 122.284 119.070 -0.230 0.000 2.476 24 H HA 0.667 5.223 4.556 -0.000 0.000 0.328 24 H C -1.505 173.635 175.328 -0.314 0.000 1.073 24 H CA -1.327 54.628 56.048 -0.155 0.000 1.229 24 H CB 1.020 30.724 29.762 -0.097 0.000 1.432 24 H HN 0.419 nan 8.280 nan 0.000 0.477 25 F N 1.540 121.717 119.950 0.379 0.000 2.585 25 F HA 0.315 4.842 4.527 -0.000 0.000 0.350 25 F C 0.895 176.773 175.800 0.130 0.000 1.074 25 F CA -0.938 57.133 58.000 0.119 0.000 1.032 25 F CB 0.842 39.870 39.000 0.046 0.000 1.330 25 F HN 0.415 nan 8.300 nan 0.000 0.495 26 E N 0.117 120.477 120.200 0.266 0.000 2.369 26 E HA 0.079 4.429 4.350 -0.000 0.000 0.255 26 E C -0.711 175.967 176.600 0.130 0.000 1.172 26 E CA -0.535 55.956 56.400 0.151 0.000 0.932 26 E CB 0.432 30.181 29.700 0.082 0.000 1.040 26 E HN 0.376 nan 8.360 nan 0.000 0.454 27 Q N 0.662 120.515 119.800 0.088 0.000 2.308 27 Q HA -0.073 4.267 4.340 -0.000 0.000 0.313 27 Q C -0.175 175.843 176.000 0.029 0.000 1.075 27 Q CA 1.070 56.906 55.803 0.055 0.000 0.995 27 Q CB -0.035 28.727 28.738 0.040 0.000 1.107 27 Q HN 0.673 nan 8.270 nan 0.000 0.380 28 S N 2.081 117.788 115.700 0.012 0.000 3.486 28 S HA -0.302 4.168 4.470 -0.000 0.000 0.371 28 S C 0.099 174.688 174.600 -0.018 0.000 1.001 28 S CA 1.537 59.734 58.200 -0.005 0.000 1.164 28 S CB -1.837 61.364 63.200 0.001 0.000 0.911 28 S HN 0.908 nan 8.310 nan 0.000 0.472 29 E N -0.688 119.491 120.200 -0.035 0.000 2.948 29 E HA 0.380 4.730 4.350 -0.000 0.000 0.186 29 E C 0.066 176.553 176.600 -0.188 0.000 0.951 29 E CA -0.864 55.493 56.400 -0.071 0.000 1.308 29 E CB 0.033 29.714 29.700 -0.031 0.000 1.037 29 E HN 0.664 nan 8.360 nan 0.000 0.469 30 L N 2.933 124.030 121.223 -0.210 0.000 2.485 30 L HA 0.254 4.594 4.340 -0.000 0.000 0.275 30 L C -1.706 174.972 176.870 -0.321 0.000 1.207 30 L CA -1.524 53.081 54.840 -0.392 0.000 0.855 30 L CB -0.287 41.507 42.059 -0.441 0.000 1.114 30 L HN 0.141 nan 8.230 nan 0.000 0.485 31 P HA 0.181 nan 4.420 nan 0.000 0.275 31 P C -0.604 176.714 177.300 0.030 0.000 1.227 31 P CA -0.495 62.477 63.100 -0.214 0.000 0.781 31 P CB 1.083 32.609 31.700 -0.290 0.000 0.906 32 A N 4.173 127.002 122.820 0.015 0.000 2.466 32 A HA 0.142 4.462 4.320 -0.000 0.000 0.238 32 A C 0.770 178.343 177.584 -0.020 0.000 1.074 32 A CA -0.391 51.652 52.037 0.009 0.000 0.774 32 A CB -0.580 18.396 19.000 -0.040 0.000 1.015 32 A HN 0.576 nan 8.150 nan 0.000 0.498 33 I N 1.158 121.643 120.570 -0.141 0.000 2.919 33 I HA -0.141 4.029 4.170 -0.000 0.000 0.303 33 I C 0.795 176.835 176.117 -0.129 0.000 1.221 33 I CA 0.982 62.195 61.300 -0.145 0.000 1.444 33 I CB 0.054 37.917 38.000 -0.228 0.000 1.331 33 I HN 0.755 nan 8.210 nan 0.000 0.572 34 L N 2.013 123.163 121.223 -0.121 0.000 4.383 34 L HA -0.250 4.089 4.340 -0.000 0.000 0.402 34 L C 0.180 177.010 176.870 -0.068 0.000 0.803 34 L CA 0.082 54.813 54.840 -0.182 0.000 2.175 34 L CB -1.561 40.252 42.059 -0.409 0.000 1.434 34 L HN 0.687 nan 8.230 nan 0.000 0.591 35 N N 1.044 119.726 118.700 -0.030 0.000 2.479 35 N HA 0.498 5.238 4.740 -0.000 0.000 0.257 35 N C 0.266 175.796 175.510 0.033 0.000 1.232 35 N CA 0.871 53.922 53.050 0.002 0.000 0.920 35 N CB 0.862 39.342 38.487 -0.012 0.000 1.105 35 N HN 0.303 nan 8.380 nan 0.000 0.444 36 A N 2.132 124.977 122.820 0.041 0.000 2.309 36 A HA 0.589 4.909 4.320 -0.000 0.000 0.298 36 A C -0.384 177.235 177.584 0.058 0.000 1.165 36 A CA -0.510 51.559 52.037 0.053 0.000 0.821 36 A CB 0.099 19.128 19.000 0.048 0.000 1.102 36 A HN 0.611 nan 8.150 nan 0.000 0.500 37 L N 1.486 122.755 121.223 0.076 0.000 2.322 37 L HA 0.624 4.964 4.340 -0.000 0.000 0.269 37 L C 0.043 176.957 176.870 0.072 0.000 1.012 37 L CA -0.543 54.356 54.840 0.099 0.000 0.815 37 L CB 1.812 43.963 42.059 0.154 0.000 1.295 37 L HN 0.728 nan 8.230 nan 0.000 0.438 38 E N 1.827 122.067 120.200 0.068 0.000 2.266 38 E HA 0.611 4.961 4.350 -0.000 0.000 0.268 38 E C -1.350 175.272 176.600 0.036 0.000 0.879 38 E CA -0.607 55.820 56.400 0.044 0.000 0.762 38 E CB 3.207 32.928 29.700 0.035 0.000 1.199 38 E HN 0.388 nan 8.360 nan 0.000 0.422 39 I N 2.272 122.856 120.570 0.023 0.000 2.465 39 I HA 0.248 4.418 4.170 -0.000 0.000 0.291 39 I C -0.189 175.933 176.117 0.008 0.000 1.014 39 I CA -0.808 60.499 61.300 0.012 0.000 1.093 39 I CB 1.736 39.740 38.000 0.006 0.000 1.267 39 I HN 0.233 nan 8.210 nan 0.000 0.431 40 K N 5.503 125.906 120.400 0.004 0.000 2.349 40 K HA 0.252 4.572 4.320 -0.000 0.000 0.289 40 K C -0.183 176.417 176.600 -0.000 0.000 1.064 40 K CA -0.114 56.174 56.287 0.003 0.000 0.947 40 K CB 0.539 33.039 32.500 0.001 0.000 1.007 40 K HN 0.751 nan 8.250 nan 0.000 0.478 41 T N 1.547 116.102 114.554 0.001 0.000 2.950 41 T HA 0.352 4.702 4.350 -0.000 0.000 0.288 41 T C -1.832 172.868 174.700 -0.001 0.000 1.035 41 T CA -1.951 60.149 62.100 -0.000 0.000 1.028 41 T CB 1.422 70.291 68.868 0.001 0.000 1.109 41 T HN 0.321 nan 8.240 nan 0.000 0.514 42 P HA -0.073 nan 4.420 nan 0.000 0.216 42 P C 1.508 178.808 177.300 -0.001 0.000 1.150 42 P CA 1.106 64.205 63.100 -0.002 0.000 0.837 42 P CB 0.172 31.871 31.700 -0.002 0.000 0.786 43 Q N -1.345 118.454 119.800 -0.001 0.000 1.984 43 Q HA 0.117 4.457 4.340 -0.000 0.000 0.196 43 Q C 1.738 177.738 176.000 0.000 0.000 0.975 43 Q CA 1.624 57.427 55.803 -0.000 0.000 0.827 43 Q CB -0.422 28.316 28.738 -0.000 0.000 0.894 43 Q HN 0.272 nan 8.270 nan 0.000 0.438 44 G N -0.035 108.766 108.800 0.001 0.000 3.226 44 G HA2 0.271 4.231 3.960 -0.000 0.000 0.175 44 G HA3 0.271 4.231 3.960 -0.000 0.000 0.175 44 G C -1.237 173.665 174.900 0.003 0.000 1.509 44 G CA -0.275 44.826 45.100 0.002 0.000 1.046 44 G HN 0.173 nan 8.290 nan 0.000 0.768 45 K N -0.418 119.985 120.400 0.005 0.000 2.525 45 K HA 0.700 5.020 4.320 -0.000 0.000 0.254 45 K C -1.929 174.677 176.600 0.010 0.000 0.934 45 K CA -0.807 55.485 56.287 0.008 0.000 0.802 45 K CB 2.616 35.122 32.500 0.009 0.000 1.295 45 K HN 0.425 nan 8.250 nan 0.000 0.433 46 L N 2.939 124.169 121.223 0.012 0.000 2.289 46 L HA 0.433 4.773 4.340 -0.000 0.000 0.285 46 L C -1.244 175.639 176.870 0.021 0.000 1.049 46 L CA -0.342 54.507 54.840 0.015 0.000 0.804 46 L CB 1.701 43.767 42.059 0.012 0.000 1.195 46 L HN 0.586 nan 8.230 nan 0.000 0.428 47 V N 6.512 126.441 119.914 0.024 0.000 2.435 47 V HA 0.461 4.581 4.120 -0.000 0.000 0.290 47 V C 0.049 176.166 176.094 0.038 0.000 1.030 47 V CA -0.531 61.789 62.300 0.032 0.000 0.881 47 V CB 1.472 33.313 31.823 0.030 0.000 0.983 47 V HN 0.637 nan 8.190 nan 0.000 0.445 48 L N 3.915 125.167 121.223 0.049 0.000 2.334 48 L HA 0.676 5.016 4.340 -0.000 0.000 0.273 48 L C -0.129 176.780 176.870 0.065 0.000 1.013 48 L CA -0.508 54.365 54.840 0.055 0.000 0.816 48 L CB 1.995 44.092 42.059 0.063 0.000 1.278 48 L HN 0.623 nan 8.230 nan 0.000 0.431 49 E N 1.324 121.562 120.200 0.064 0.000 2.187 49 E HA 0.414 4.764 4.350 -0.000 0.000 0.268 49 E C -1.361 175.276 176.600 0.061 0.000 0.896 49 E CA -0.775 55.665 56.400 0.067 0.000 0.766 49 E CB 2.169 31.918 29.700 0.083 0.000 1.142 49 E HN 0.336 nan 8.360 nan 0.000 0.408 50 V N 3.967 123.914 119.914 0.055 0.000 2.508 50 V HA 0.188 4.308 4.120 -0.000 0.000 0.281 50 V C 0.837 176.946 176.094 0.026 0.000 1.041 50 V CA 0.727 63.066 62.300 0.064 0.000 1.016 50 V CB 0.821 32.691 31.823 0.080 0.000 0.984 50 V HN 0.892 nan 8.190 nan 0.000 0.478 51 A N 4.155 126.997 122.820 0.037 0.000 2.026 51 A HA 0.345 4.665 4.320 -0.000 0.000 0.201 51 A C 0.696 178.278 177.584 -0.003 0.000 1.318 51 A CA 0.223 52.264 52.037 0.008 0.000 0.857 51 A CB 0.383 19.393 19.000 0.017 0.000 0.939 51 A HN 0.763 nan 8.150 nan 0.000 0.476 52 Q N -1.044 118.782 119.800 0.043 0.000 2.462 52 Q HA 0.390 4.730 4.340 -0.000 0.000 0.285 52 Q C -1.676 174.434 176.000 0.184 0.000 1.035 52 Q CA -0.577 55.252 55.803 0.044 0.000 0.799 52 Q CB 1.839 30.601 28.738 0.040 0.000 1.452 52 Q HN 0.620 nan 8.270 nan 0.000 0.404 53 H N 1.774 120.844 119.070 0.001 0.000 2.641 53 H HA 0.218 4.774 4.556 -0.000 0.000 0.295 53 H C 0.597 175.926 175.328 0.001 0.000 1.070 53 H CA -0.321 55.729 56.048 0.005 0.000 1.257 53 H CB 0.929 30.689 29.762 -0.004 0.000 1.393 53 H HN 0.430 nan 8.280 nan 0.000 0.464 54 L N 2.918 124.206 121.223 0.109 0.000 2.376 54 L HA 0.075 4.415 4.340 -0.000 0.000 0.219 54 L C 1.183 178.067 176.870 0.023 0.000 1.133 54 L CA 0.686 55.555 54.840 0.049 0.000 0.816 54 L CB -0.137 41.938 42.059 0.026 0.000 0.933 54 L HN 0.902 nan 8.230 nan 0.000 0.449 55 G N -0.112 108.697 108.800 0.015 0.000 2.619 55 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.686 55 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.686 55 G C -0.030 174.834 174.900 -0.059 0.000 1.256 55 G CA -0.435 44.658 45.100 -0.012 0.000 0.826 55 G HN 0.281 nan 8.290 nan 0.000 0.619 56 E N 0.092 120.248 120.200 -0.073 0.000 2.416 56 E HA -0.249 4.101 4.350 -0.000 0.000 0.249 56 E C 0.770 177.231 176.600 -0.232 0.000 1.124 56 E CA 0.631 56.955 56.400 -0.128 0.000 0.732 56 E CB -1.092 28.535 29.700 -0.123 0.000 1.286 56 E HN 1.154 nan 8.360 nan 0.000 0.394 57 N N -1.343 117.263 118.700 -0.157 0.000 2.708 57 N HA -0.158 4.582 4.740 -0.000 0.000 0.249 57 N C -0.776 174.661 175.510 -0.122 0.000 1.097 57 N CA 1.932 54.911 53.050 -0.117 0.000 0.710 57 N CB -1.221 37.259 38.487 -0.011 0.000 1.032 57 N HN 0.249 nan 8.380 nan 0.000 0.551 58 T N 0.184 114.661 114.554 -0.128 0.000 2.786 58 T HA 0.562 4.912 4.350 -0.000 0.000 0.283 58 T C 0.493 175.207 174.700 0.023 0.000 0.992 58 T CA -0.688 61.385 62.100 -0.045 0.000 0.954 58 T CB 2.323 71.135 68.868 -0.094 0.000 0.934 58 T HN 0.150 nan 8.240 nan 0.000 0.440 59 V N 1.969 121.945 119.914 0.104 0.000 2.732 59 V HA 0.755 4.875 4.120 -0.000 0.000 0.310 59 V C -0.154 176.013 176.094 0.121 0.000 1.053 59 V CA -1.366 61.017 62.300 0.139 0.000 0.957 59 V CB 1.675 33.619 31.823 0.202 0.000 1.018 59 V HN 0.814 nan 8.190 nan 0.000 0.452 60 R N 1.961 122.529 120.500 0.114 0.000 2.346 60 R HA 0.730 5.070 4.340 -0.000 0.000 0.311 60 R C -0.323 176.025 176.300 0.079 0.000 0.983 60 R CA 0.239 56.386 56.100 0.078 0.000 0.880 60 R CB 1.554 31.887 30.300 0.055 0.000 1.100 60 R HN 1.158 nan 8.270 nan 0.000 0.453 61 T N 1.617 116.211 114.554 0.066 0.000 2.900 61 T HA 0.486 4.836 4.350 -0.000 0.000 0.295 61 T C -0.023 174.702 174.700 0.043 0.000 1.044 61 T CA -0.838 61.300 62.100 0.063 0.000 0.995 61 T CB 1.121 70.037 68.868 0.080 0.000 1.072 61 T HN 0.420 nan 8.240 nan 0.000 0.473 62 I N 2.464 123.057 120.570 0.039 0.000 2.331 62 I HA 0.546 4.716 4.170 -0.000 0.000 0.292 62 I C 0.989 177.126 176.117 0.032 0.000 0.998 62 I CA -0.966 60.352 61.300 0.029 0.000 1.267 62 I CB 1.273 39.288 38.000 0.025 0.000 1.386 62 I HN 0.951 nan 8.210 nan 0.000 0.476 63 A N 7.189 130.024 122.820 0.024 0.000 2.386 63 A HA 0.414 4.734 4.320 -0.000 0.000 0.248 63 A C 0.690 178.288 177.584 0.023 0.000 1.082 63 A CA -0.190 51.862 52.037 0.024 0.000 0.789 63 A CB 0.449 19.459 19.000 0.017 0.000 1.025 63 A HN 0.765 nan 8.150 nan 0.000 0.490 64 M N 0.530 120.145 119.600 0.025 0.000 2.333 64 M HA 0.245 4.725 4.480 -0.000 0.000 0.257 64 M C -0.212 176.100 176.300 0.019 0.000 1.078 64 M CA 0.314 55.629 55.300 0.024 0.000 1.005 64 M CB -0.731 31.886 32.600 0.028 0.000 1.444 64 M HN 0.795 nan 8.290 nan 0.000 0.496 65 D N -0.901 119.509 120.400 0.016 0.000 2.759 65 D HA 0.499 5.139 4.640 -0.000 0.000 0.321 65 D C -0.545 175.760 176.300 0.009 0.000 1.267 65 D CA -0.190 53.818 54.000 0.012 0.000 0.933 65 D CB 1.395 42.202 40.800 0.011 0.000 1.431 65 D HN 0.106 nan 8.370 nan 0.000 0.504 66 G N -0.915 107.889 108.800 0.007 0.000 2.491 66 G HA2 0.351 4.311 3.960 -0.000 0.000 0.242 66 G HA3 0.351 4.311 3.960 -0.000 0.000 0.242 66 G C 0.874 175.776 174.900 0.005 0.000 1.266 66 G CA 0.511 45.614 45.100 0.005 0.000 0.844 66 G HN 0.396 nan 8.290 nan 0.000 0.571 67 T N -1.223 113.333 114.554 0.004 0.000 3.086 67 T HA 0.103 4.453 4.350 -0.000 0.000 0.250 67 T C 0.846 175.546 174.700 0.001 0.000 1.074 67 T CA 0.110 62.212 62.100 0.003 0.000 0.988 67 T CB -0.038 68.832 68.868 0.003 0.000 0.988 67 T HN 0.652 nan 8.240 nan 0.000 0.530 68 E N 1.914 122.115 120.200 0.000 0.000 2.452 68 E HA 0.272 4.622 4.350 -0.000 0.000 0.261 68 E C 1.156 177.755 176.600 -0.001 0.000 0.987 68 E CA 0.784 57.184 56.400 -0.001 0.000 0.926 68 E CB 0.143 29.843 29.700 -0.001 0.000 0.934 68 E HN 0.467 nan 8.360 nan 0.000 0.452 69 G N 2.803 111.602 108.800 -0.002 0.000 2.234 69 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.235 69 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.235 69 G C 0.298 175.195 174.900 -0.005 0.000 0.997 69 G CA 0.083 45.181 45.100 -0.003 0.000 0.623 69 G HN 0.491 nan 8.290 nan 0.000 0.514 70 L N 1.462 122.682 121.223 -0.005 0.000 2.416 70 L HA 0.493 4.833 4.340 -0.000 0.000 0.272 70 L C 0.543 177.407 176.870 -0.009 0.000 1.161 70 L CA -0.336 54.499 54.840 -0.007 0.000 0.845 70 L CB 1.269 43.325 42.059 -0.005 0.000 1.119 70 L HN 0.037 nan 8.230 nan 0.000 0.464 71 V N 3.696 123.602 119.914 -0.013 0.000 2.628 71 V HA 0.377 4.497 4.120 -0.000 0.000 0.306 71 V C 0.088 176.170 176.094 -0.020 0.000 1.045 71 V CA -0.990 61.301 62.300 -0.015 0.000 0.905 71 V CB 1.876 33.690 31.823 -0.015 0.000 0.997 71 V HN 0.663 nan 8.190 nan 0.000 0.436 72 R N 2.454 122.942 120.500 -0.019 0.000 2.404 72 R HA 0.448 4.788 4.340 -0.000 0.000 0.315 72 R C 1.089 177.371 176.300 -0.030 0.000 1.032 72 R CA 0.885 56.971 56.100 -0.023 0.000 0.992 72 R CB 0.068 30.358 30.300 -0.016 0.000 0.959 72 R HN 1.203 nan 8.270 nan 0.000 0.428 73 G N 2.194 110.968 108.800 -0.043 0.000 2.183 73 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.168 73 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.168 73 G C -0.130 174.734 174.900 -0.060 0.000 1.008 73 G CA -0.440 44.628 45.100 -0.054 0.000 0.677 73 G HN 0.570 nan 8.290 nan 0.000 0.498 74 E N 1.159 121.325 120.200 -0.057 0.000 2.259 74 E HA 0.545 4.895 4.350 -0.000 0.000 0.281 74 E C 0.626 177.185 176.600 -0.068 0.000 1.027 74 E CA -0.640 55.730 56.400 -0.051 0.000 0.838 74 E CB 0.442 30.120 29.700 -0.037 0.000 1.066 74 E HN 0.233 nan 8.360 nan 0.000 0.401 75 K N 1.918 122.282 120.400 -0.059 0.000 2.524 75 K HA 0.066 4.386 4.320 -0.000 0.000 0.279 75 K C -1.017 175.550 176.600 -0.055 0.000 0.993 75 K CA 0.165 56.414 56.287 -0.063 0.000 1.030 75 K CB 0.587 33.064 32.500 -0.038 0.000 0.891 75 K HN 0.247 nan 8.250 nan 0.000 0.488 76 V N 5.025 124.895 119.914 -0.074 0.000 2.483 76 V HA 0.273 4.393 4.120 -0.000 0.000 0.297 76 V C -0.728 175.408 176.094 0.070 0.000 1.027 76 V CA -0.982 61.307 62.300 -0.020 0.000 0.855 76 V CB 1.440 33.225 31.823 -0.064 0.000 0.995 76 V HN 0.544 nan 8.190 nan 0.000 0.424 77 L N 3.590 124.870 121.223 0.096 0.000 2.307 77 L HA 0.631 4.971 4.340 -0.000 0.000 0.282 77 L C -0.099 176.859 176.870 0.147 0.000 1.051 77 L CA 0.133 55.044 54.840 0.118 0.000 0.804 77 L CB 1.463 43.561 42.059 0.065 0.000 1.197 77 L HN 0.763 nan 8.230 nan 0.000 0.431 78 D N 1.319 121.808 120.400 0.148 0.000 2.304 78 D HA 0.159 4.798 4.640 -0.000 0.000 0.250 78 D C 0.818 177.142 176.300 0.039 0.000 1.107 78 D CA 0.217 54.261 54.000 0.072 0.000 0.885 78 D CB 1.581 42.370 40.800 -0.018 0.000 1.192 78 D HN 0.674 nan 8.370 nan 0.000 0.436 79 T N 0.321 114.892 114.554 0.028 0.000 3.060 79 T HA 0.338 4.688 4.350 -0.000 0.000 0.249 79 T C 1.465 176.168 174.700 0.006 0.000 1.079 79 T CA 0.480 62.592 62.100 0.019 0.000 1.013 79 T CB 0.122 69.003 68.868 0.021 0.000 0.975 79 T HN 0.666 nan 8.240 nan 0.000 0.518 80 G N 0.193 108.990 108.800 -0.005 0.000 2.284 80 G HA2 0.045 4.005 3.960 -0.000 0.000 0.230 80 G HA3 0.045 4.005 3.960 -0.000 0.000 0.230 80 G C 0.415 175.308 174.900 -0.011 0.000 1.021 80 G CA -0.271 44.821 45.100 -0.013 0.000 0.619 80 G HN 1.203 nan 8.290 nan 0.000 0.510 81 G N -0.485 108.314 108.800 -0.001 0.000 2.870 81 G HA2 0.778 4.738 3.960 -0.000 0.000 0.299 81 G HA3 0.778 4.738 3.960 -0.000 0.000 0.299 81 G C -3.182 171.730 174.900 0.019 0.000 1.324 81 G CA -0.302 44.801 45.100 0.004 0.000 0.808 81 G HN 0.254 nan 8.290 nan 0.000 0.535 82 P HA 0.335 nan 4.420 nan 0.000 0.275 82 P C 0.066 177.409 177.300 0.072 0.000 1.266 82 P CA -0.554 62.595 63.100 0.083 0.000 0.793 82 P CB 0.581 32.377 31.700 0.160 0.000 1.074 83 I N 0.094 120.717 120.570 0.089 0.000 2.821 83 I HA -0.082 4.088 4.170 -0.000 0.000 0.294 83 I C 0.587 176.714 176.117 0.017 0.000 1.210 83 I CA 1.105 62.432 61.300 0.045 0.000 1.430 83 I CB -0.346 37.677 38.000 0.039 0.000 1.356 83 I HN 0.217 nan 8.210 nan 0.000 0.563 84 S N 5.649 121.349 115.700 -0.001 0.000 2.565 84 S HA 0.688 5.158 4.470 -0.000 0.000 0.290 84 S C -0.336 174.240 174.600 -0.040 0.000 1.150 84 S CA -0.824 57.362 58.200 -0.023 0.000 1.058 84 S CB 2.021 65.207 63.200 -0.024 0.000 1.032 84 S HN 0.503 nan 8.310 nan 0.000 0.510 85 V N -0.385 119.492 119.914 -0.062 0.000 2.735 85 V HA 0.707 4.827 4.120 -0.000 0.000 0.310 85 V C -2.894 173.135 176.094 -0.109 0.000 1.061 85 V CA -3.005 59.250 62.300 -0.076 0.000 0.913 85 V CB 1.407 33.183 31.823 -0.079 0.000 1.005 85 V HN 0.619 nan 8.190 nan 0.000 0.428 86 P HA 0.288 nan 4.420 nan 0.000 0.269 86 P C -0.417 176.747 177.300 -0.226 0.000 1.209 86 P CA 0.216 63.223 63.100 -0.155 0.000 0.776 86 P CB 1.258 32.889 31.700 -0.115 0.000 0.876 87 V N -2.148 117.549 119.914 -0.362 0.000 3.130 87 V HA 0.970 5.090 4.120 -0.000 0.000 0.310 87 V C 0.080 175.762 176.094 -0.686 0.000 1.158 87 V CA -0.153 61.799 62.300 -0.579 0.000 1.029 87 V CB 1.158 32.491 31.823 -0.817 0.000 1.057 87 V HN 1.043 nan 8.190 nan 0.000 0.436 88 G N 1.814 110.179 108.800 -0.725 0.000 2.549 88 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.404 88 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.404 88 G C 0.109 174.969 174.900 -0.066 0.000 1.292 88 G CA 0.040 44.922 45.100 -0.364 0.000 0.935 88 G HN 0.947 nan 8.290 nan 0.000 0.512 89 R N 0.244 120.783 120.500 0.065 0.000 2.241 89 R HA -0.041 4.299 4.340 -0.000 0.000 0.224 89 R C 1.766 178.061 176.300 -0.008 0.000 1.101 89 R CA 1.365 57.483 56.100 0.030 0.000 0.995 89 R CB -0.087 30.213 30.300 -0.001 0.000 0.870 89 R HN 0.564 nan 8.270 nan 0.000 0.463 90 E N -0.114 120.073 120.200 -0.022 0.000 2.482 90 E HA -0.066 4.284 4.350 -0.000 0.000 0.196 90 E C 1.568 178.157 176.600 -0.017 0.000 1.047 90 E CA 1.088 57.474 56.400 -0.025 0.000 0.869 90 E CB 0.085 29.762 29.700 -0.040 0.000 0.836 90 E HN 0.402 nan 8.360 nan 0.000 0.520 91 T N -1.850 112.701 114.554 -0.006 0.000 3.100 91 T HA 0.145 4.495 4.350 -0.000 0.000 0.253 91 T C 1.052 175.780 174.700 0.047 0.000 1.118 91 T CA -0.133 61.976 62.100 0.015 0.000 1.058 91 T CB -0.069 68.804 68.868 0.008 0.000 0.953 91 T HN -0.060 nan 8.240 nan 0.000 0.515 92 L N 1.732 122.973 121.223 0.030 0.000 2.367 92 L HA 0.526 4.866 4.340 -0.000 0.000 0.275 92 L C 1.500 178.391 176.870 0.034 0.000 1.129 92 L CA 0.410 55.255 54.840 0.008 0.000 0.839 92 L CB 0.447 42.453 42.059 -0.089 0.000 1.133 92 L HN 0.484 nan 8.230 nan 0.000 0.453 93 G N 1.942 110.780 108.800 0.065 0.000 2.160 93 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.251 93 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.251 93 G C 0.111 175.082 174.900 0.118 0.000 1.008 93 G CA -0.303 44.857 45.100 0.101 0.000 0.724 93 G HN 0.465 nan 8.290 nan 0.000 0.514 94 R N -0.647 119.906 120.500 0.088 0.000 2.803 94 R HA 0.725 5.065 4.340 -0.000 0.000 0.276 94 R C 0.151 176.475 176.300 0.040 0.000 0.978 94 R CA -1.055 55.079 56.100 0.057 0.000 0.939 94 R CB 1.245 31.564 30.300 0.032 0.000 1.179 94 R HN 0.260 nan 8.270 nan 0.000 0.472 95 I N 2.727 123.289 120.570 -0.013 0.000 2.377 95 I HA 0.449 4.619 4.170 -0.000 0.000 0.293 95 I C -0.141 175.987 176.117 0.019 0.000 0.987 95 I CA -0.736 60.566 61.300 0.005 0.000 1.185 95 I CB 1.234 39.170 38.000 -0.106 0.000 1.341 95 I HN 0.292 nan 8.210 nan 0.000 0.455 96 I N 5.486 126.084 120.570 0.047 0.000 2.608 96 I HA 0.326 4.496 4.170 -0.000 0.000 0.295 96 I C -0.131 176.014 176.117 0.046 0.000 1.049 96 I CA -0.454 60.861 61.300 0.025 0.000 1.063 96 I CB 1.878 39.878 38.000 0.001 0.000 1.248 96 I HN 0.645 nan 8.210 nan 0.000 0.424 97 N N 4.028 122.748 118.700 0.033 0.000 2.495 97 N HA 0.183 4.923 4.740 -0.000 0.000 0.294 97 N C 0.763 176.284 175.510 0.019 0.000 1.276 97 N CA -0.709 52.367 53.050 0.043 0.000 0.973 97 N CB 0.125 38.635 38.487 0.038 0.000 1.143 97 N HN 0.355 nan 8.380 nan 0.000 0.589 98 V N -0.486 119.440 119.914 0.021 0.000 2.469 98 V HA -0.118 4.002 4.120 -0.000 0.000 0.251 98 V C 1.491 177.582 176.094 -0.005 0.000 1.064 98 V CA 1.786 64.088 62.300 0.005 0.000 1.066 98 V CB -0.843 30.989 31.823 0.015 0.000 0.667 98 V HN 0.655 nan 8.190 nan 0.000 0.461 99 I N -2.358 118.213 120.570 0.001 0.000 3.858 99 I HA 0.554 4.724 4.170 -0.000 0.000 0.325 99 I C 1.281 177.392 176.117 -0.010 0.000 1.403 99 I CA 0.507 61.806 61.300 -0.002 0.000 1.169 99 I CB -0.322 37.682 38.000 0.007 0.000 1.077 99 I HN 0.279 nan 8.210 nan 0.000 0.403 100 G N 0.960 109.750 108.800 -0.016 0.000 2.184 100 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.264 100 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.264 100 G C -0.034 174.855 174.900 -0.020 0.000 0.975 100 G CA 0.115 45.200 45.100 -0.026 0.000 0.642 100 G HN 0.641 nan 8.290 nan 0.000 0.536 101 E N 1.726 121.921 120.200 -0.010 0.000 2.283 101 E HA 0.367 4.717 4.350 -0.000 0.000 0.278 101 E C -2.194 174.402 176.600 -0.005 0.000 1.027 101 E CA -1.864 54.531 56.400 -0.008 0.000 0.843 101 E CB 1.357 31.055 29.700 -0.003 0.000 1.062 101 E HN 0.168 nan 8.360 nan 0.000 0.401 102 P HA 0.018 nan 4.420 nan 0.000 0.271 102 P C 0.047 177.340 177.300 -0.012 0.000 1.220 102 P CA 0.409 63.504 63.100 -0.009 0.000 0.768 102 P CB 0.199 31.894 31.700 -0.009 0.000 0.848 103 I N 0.057 120.615 120.570 -0.019 0.000 3.654 103 I HA 0.296 4.466 4.170 -0.000 0.000 0.337 103 I C -0.099 175.979 176.117 -0.066 0.000 1.568 103 I CA -0.296 60.986 61.300 -0.031 0.000 1.115 103 I CB -0.091 37.898 38.000 -0.017 0.000 1.300 103 I HN 0.052 nan 8.210 nan 0.000 0.471 104 D N -0.041 120.322 120.400 -0.062 0.000 2.513 104 D HA 0.051 4.691 4.640 -0.000 0.000 0.222 104 D C 0.438 176.729 176.300 -0.015 0.000 1.210 104 D CA -0.283 53.670 54.000 -0.079 0.000 0.825 104 D CB -0.068 40.655 40.800 -0.127 0.000 1.037 104 D HN 0.432 nan 8.370 nan 0.000 0.506 105 E N -0.052 120.142 120.200 -0.010 0.000 2.660 105 E HA -0.261 4.089 4.350 -0.000 0.000 0.260 105 E C 0.470 177.077 176.600 0.013 0.000 1.122 105 E CA 0.381 56.783 56.400 0.003 0.000 0.755 105 E CB -0.929 28.774 29.700 0.006 0.000 1.345 105 E HN 0.364 nan 8.360 nan 0.000 0.421 106 R N -0.216 120.293 120.500 0.014 0.000 2.507 106 R HA 0.257 4.597 4.340 -0.000 0.000 0.298 106 R C 0.855 177.163 176.300 0.014 0.000 0.999 106 R CA 0.409 56.523 56.100 0.022 0.000 1.082 106 R CB 0.965 31.287 30.300 0.037 0.000 1.246 106 R HN 0.315 nan 8.270 nan 0.000 0.553 107 G N 1.747 110.551 108.800 0.007 0.000 2.627 107 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.214 107 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.214 107 G C -2.717 172.182 174.900 -0.000 0.000 1.331 107 G CA -1.223 43.880 45.100 0.003 0.000 0.891 107 G HN 0.044 nan 8.290 nan 0.000 0.539 108 P HA 0.519 nan 4.420 nan 0.000 0.275 108 P C -0.007 177.286 177.300 -0.010 0.000 1.228 108 P CA -0.390 62.706 63.100 -0.008 0.000 0.786 108 P CB 0.509 32.203 31.700 -0.009 0.000 0.927 109 I N 2.736 123.296 120.570 -0.017 0.000 2.294 109 I HA 0.090 4.260 4.170 -0.000 0.000 0.295 109 I C 0.918 177.017 176.117 -0.031 0.000 1.098 109 I CA 0.053 61.339 61.300 -0.023 0.000 1.277 109 I CB -0.142 37.840 38.000 -0.031 0.000 1.434 109 I HN 0.078 nan 8.210 nan 0.000 0.498 110 K N 5.371 125.757 120.400 -0.025 0.000 2.480 110 K HA 0.117 4.437 4.320 -0.000 0.000 0.241 110 K C 0.234 176.811 176.600 -0.038 0.000 1.261 110 K CA -0.205 56.066 56.287 -0.027 0.000 1.193 110 K CB -0.089 32.401 32.500 -0.016 0.000 1.598 110 K HN 0.643 nan 8.250 nan 0.000 0.278 111 S N -0.100 115.565 115.700 -0.058 0.000 2.554 111 S HA 0.209 4.679 4.470 -0.000 0.000 0.278 111 S C 0.979 175.529 174.600 -0.082 0.000 1.242 111 S CA -0.871 57.278 58.200 -0.085 0.000 1.051 111 S CB 1.762 64.883 63.200 -0.131 0.000 0.986 111 S HN 0.322 nan 8.310 nan 0.000 0.502 112 K N 1.318 121.671 120.400 -0.078 0.000 2.113 112 K HA -0.016 4.304 4.320 -0.000 0.000 0.208 112 K C 0.133 176.685 176.600 -0.080 0.000 1.047 112 K CA 1.171 57.422 56.287 -0.062 0.000 0.928 112 K CB -0.506 31.971 32.500 -0.038 0.000 0.716 112 K HN 0.569 nan 8.250 nan 0.000 0.446 113 L N 0.115 121.254 121.223 -0.139 0.000 2.371 113 L HA 0.424 4.764 4.340 -0.000 0.000 0.262 113 L C -0.501 176.264 176.870 -0.175 0.000 1.006 113 L CA -1.009 53.742 54.840 -0.148 0.000 0.818 113 L CB 2.276 44.228 42.059 -0.177 0.000 1.354 113 L HN -0.108 nan 8.230 nan 0.000 0.415 114 R N 1.342 121.767 120.500 -0.124 0.000 2.670 114 R HA 0.626 4.966 4.340 -0.000 0.000 0.289 114 R C -1.201 175.044 176.300 -0.092 0.000 0.965 114 R CA -0.954 55.076 56.100 -0.116 0.000 0.899 114 R CB 2.743 32.997 30.300 -0.076 0.000 1.173 114 R HN 0.463 nan 8.270 nan 0.000 0.456 115 K N 2.264 122.608 120.400 -0.093 0.000 2.371 115 K HA 0.433 4.753 4.320 -0.000 0.000 0.251 115 K C -2.605 173.972 176.600 -0.039 0.000 0.934 115 K CA -2.205 54.048 56.287 -0.056 0.000 0.798 115 K CB 2.325 34.793 32.500 -0.053 0.000 1.204 115 K HN 0.246 nan 8.250 nan 0.000 0.427 116 P HA 0.021 nan 4.420 nan 0.000 0.268 116 P C 0.585 177.874 177.300 -0.019 0.000 1.205 116 P CA -0.027 63.079 63.100 0.009 0.000 0.771 116 P CB 0.290 32.016 31.700 0.042 0.000 0.858 117 I N -0.822 119.714 120.570 -0.058 0.000 2.928 117 I HA 0.013 4.183 4.170 -0.000 0.000 0.266 117 I C 0.370 176.338 176.117 -0.248 0.000 1.234 117 I CA 0.779 61.977 61.300 -0.170 0.000 1.483 117 I CB -0.567 37.292 38.000 -0.234 0.000 1.097 117 I HN 0.249 nan 8.210 nan 0.000 0.455 118 H N 2.732 121.791 119.070 -0.018 0.000 2.552 118 H HA 0.768 5.324 4.556 -0.000 0.000 0.311 118 H C -0.464 174.853 175.328 -0.018 0.000 1.071 118 H CA -0.179 55.859 56.048 -0.016 0.000 1.307 118 H CB 1.539 31.296 29.762 -0.009 0.000 1.416 118 H HN 0.407 nan 8.280 nan 0.000 0.464 119 A N 3.487 126.353 122.820 0.078 0.000 2.594 119 A HA 0.278 4.598 4.320 -0.000 0.000 0.295 119 A C -0.890 176.712 177.584 0.029 0.000 1.071 119 A CA -1.004 51.057 52.037 0.041 0.000 0.685 119 A CB 1.426 20.433 19.000 0.012 0.000 1.285 119 A HN 0.545 nan 8.150 nan 0.000 0.405 120 D N 2.473 122.887 120.400 0.023 0.000 2.414 120 D HA 0.403 5.043 4.640 -0.000 0.000 0.242 120 D C -2.090 174.216 176.300 0.010 0.000 1.129 120 D CA -0.195 53.816 54.000 0.018 0.000 0.885 120 D CB 0.425 41.235 40.800 0.016 0.000 1.198 120 D HN 0.277 nan 8.370 nan 0.000 0.437 121 P HA 0.241 nan 4.420 nan 0.000 0.274 121 P C -2.523 174.785 177.300 0.013 0.000 1.231 121 P CA -1.208 61.896 63.100 0.006 0.000 0.790 121 P CB -0.466 31.242 31.700 0.013 0.000 0.951 122 P HA -0.010 nan 4.420 nan 0.000 0.265 122 P C 0.365 177.680 177.300 0.025 0.000 1.187 122 P CA 0.275 63.378 63.100 0.006 0.000 0.766 122 P CB 0.107 31.802 31.700 -0.008 0.000 0.820 123 S N 2.387 118.104 115.700 0.028 0.000 2.606 123 S HA 0.081 4.551 4.470 -0.000 0.000 0.257 123 S C 0.964 175.617 174.600 0.087 0.000 1.327 123 S CA -0.357 57.882 58.200 0.065 0.000 0.984 123 S CB -0.059 63.175 63.200 0.057 0.000 0.941 123 S HN 0.401 nan 8.310 nan 0.000 0.576 124 F N 1.520 121.470 119.950 -0.000 0.000 2.134 124 F HA 0.048 4.575 4.527 -0.000 0.000 0.299 124 F C 2.433 178.232 175.800 -0.002 0.000 1.097 124 F CA 1.544 59.543 58.000 -0.001 0.000 1.264 124 F CB -1.098 37.902 39.000 -0.000 0.000 1.001 124 F HN 0.713 nan 8.300 nan 0.000 0.479 125 A N -0.185 122.587 122.820 -0.081 0.000 2.024 125 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 125 A C 2.033 179.509 177.584 -0.181 0.000 1.164 125 A CA 1.867 53.806 52.037 -0.163 0.000 0.643 125 A CB -0.809 18.182 19.000 -0.015 0.000 0.806 125 A HN 0.600 nan 8.150 nan 0.000 0.451 126 E N -0.214 119.908 120.200 -0.130 0.000 2.478 126 E HA -0.015 4.335 4.350 -0.000 0.000 0.194 126 E C 0.096 176.623 176.600 -0.121 0.000 1.045 126 E CA -0.264 56.077 56.400 -0.099 0.000 0.868 126 E CB 0.095 29.763 29.700 -0.053 0.000 0.885 126 E HN 0.548 nan 8.360 nan 0.000 0.505 127 Q N 0.466 120.154 119.800 -0.187 0.000 2.428 127 Q HA 0.056 4.396 4.340 -0.000 0.000 0.276 127 Q C -0.132 175.780 176.000 -0.148 0.000 1.059 127 Q CA 0.487 56.189 55.803 -0.169 0.000 0.923 127 Q CB 1.380 29.973 28.738 -0.241 0.000 1.283 127 Q HN -0.023 nan 8.270 nan 0.000 0.447 128 S N 0.798 116.440 115.700 -0.098 0.000 2.571 128 S HA 0.290 4.760 4.470 -0.000 0.000 0.238 128 S C -0.635 173.932 174.600 -0.055 0.000 1.153 128 S CA -0.603 57.550 58.200 -0.077 0.000 1.141 128 S CB 0.267 63.430 63.200 -0.062 0.000 1.133 128 S HN 0.561 nan 8.310 nan 0.000 0.464 129 T N 1.888 116.410 114.554 -0.053 0.000 2.910 129 T HA 0.737 5.087 4.350 -0.000 0.000 0.293 129 T C 0.175 174.860 174.700 -0.025 0.000 1.015 129 T CA -0.283 61.798 62.100 -0.032 0.000 1.094 129 T CB 1.174 70.027 68.868 -0.026 0.000 0.968 129 T HN 1.201 nan 8.240 nan 0.000 0.521 130 S N -0.053 115.638 115.700 -0.016 0.000 2.565 130 S HA 0.677 5.147 4.470 -0.000 0.000 0.269 130 S C -0.654 173.943 174.600 -0.005 0.000 1.153 130 S CA -0.736 57.456 58.200 -0.013 0.000 0.835 130 S CB 1.325 64.516 63.200 -0.014 0.000 1.122 130 S HN 1.493 nan 8.310 nan 0.000 0.462 131 A N 0.950 123.767 122.820 -0.004 0.000 3.105 131 A HA 0.588 4.908 4.320 -0.000 0.000 0.297 131 A C -0.124 177.461 177.584 0.002 0.000 0.977 131 A CA -0.386 51.651 52.037 0.000 0.000 1.020 131 A CB -0.245 18.752 19.000 -0.005 0.000 1.098 131 A HN 0.766 nan 8.150 nan 0.000 0.497 132 E N 0.760 120.964 120.200 0.006 0.000 2.175 132 E HA 0.528 4.878 4.350 -0.000 0.000 0.278 132 E C -1.086 175.528 176.600 0.024 0.000 0.969 132 E CA -0.569 55.836 56.400 0.008 0.000 0.796 132 E CB 1.255 30.957 29.700 0.002 0.000 1.104 132 E HN 0.591 nan 8.360 nan 0.000 0.395 133 I N 4.931 125.517 120.570 0.025 0.000 2.385 133 I HA 0.235 4.405 4.170 -0.000 0.000 0.294 133 I C -1.239 174.912 176.117 0.057 0.000 0.988 133 I CA -0.840 60.485 61.300 0.042 0.000 1.265 133 I CB 0.832 38.847 38.000 0.025 0.000 1.388 133 I HN 0.489 nan 8.210 nan 0.000 0.480 134 L N 7.929 129.208 121.223 0.092 0.000 2.264 134 L HA 0.395 4.735 4.340 -0.000 0.000 0.287 134 L C -0.102 176.827 176.870 0.100 0.000 1.039 134 L CA -0.015 54.889 54.840 0.108 0.000 0.829 134 L CB 0.911 43.063 42.059 0.156 0.000 1.211 134 L HN 0.661 nan 8.230 nan 0.000 0.427 135 E N 2.286 122.525 120.200 0.066 0.000 2.265 135 E HA 0.025 4.375 4.350 -0.000 0.000 0.272 135 E C 0.476 177.098 176.600 0.038 0.000 1.067 135 E CA 0.482 56.908 56.400 0.043 0.000 0.900 135 E CB 0.835 30.557 29.700 0.036 0.000 1.017 135 E HN 0.805 nan 8.360 nan 0.000 0.431 136 T N 1.188 115.743 114.554 0.002 0.000 3.057 136 T HA 0.195 4.545 4.350 -0.000 0.000 0.254 136 T C 1.470 176.147 174.700 -0.039 0.000 1.094 136 T CA 0.406 62.500 62.100 -0.010 0.000 1.088 136 T CB 0.169 68.995 68.868 -0.069 0.000 0.934 136 T HN 0.695 nan 8.240 nan 0.000 0.497 137 G N 1.614 110.396 108.800 -0.030 0.000 2.168 137 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.263 137 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.263 137 G C 0.025 174.908 174.900 -0.028 0.000 0.977 137 G CA 0.351 45.435 45.100 -0.027 0.000 0.659 137 G HN 0.675 nan 8.290 nan 0.000 0.533 138 I N 0.737 121.279 120.570 -0.047 0.000 2.304 138 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 138 I C 1.626 177.744 176.117 0.002 0.000 1.018 138 I CA -0.752 60.550 61.300 0.004 0.000 1.260 138 I CB 1.247 39.231 38.000 -0.027 0.000 1.390 138 I HN -0.017 nan 8.210 nan 0.000 0.475 139 K N 3.648 124.055 120.400 0.013 0.000 2.015 139 K HA -0.215 4.105 4.320 -0.000 0.000 0.216 139 K C 1.848 178.386 176.600 -0.103 0.000 1.052 139 K CA 1.640 57.897 56.287 -0.050 0.000 0.937 139 K CB -0.201 32.274 32.500 -0.042 0.000 0.719 139 K HN 0.566 nan 8.250 nan 0.000 0.446 140 V N 1.052 120.945 119.914 -0.033 0.000 2.490 140 V HA -0.194 3.926 4.120 -0.000 0.000 0.250 140 V C 2.013 178.080 176.094 -0.046 0.000 1.061 140 V CA 1.545 63.815 62.300 -0.050 0.000 1.064 140 V CB 0.030 31.885 31.823 0.053 0.000 0.670 140 V HN 0.146 nan 8.190 nan 0.000 0.461 141 V N 0.076 119.976 119.914 -0.022 0.000 2.302 141 V HA -0.120 4.000 4.120 -0.000 0.000 0.243 141 V C 2.289 178.304 176.094 -0.131 0.000 1.036 141 V CA 2.188 64.419 62.300 -0.114 0.000 1.020 141 V CB -0.664 30.987 31.823 -0.288 0.000 0.657 141 V HN 0.538 nan 8.190 nan 0.000 0.453 142 D N -0.208 120.128 120.400 -0.107 0.000 2.264 142 D HA -0.112 4.528 4.640 -0.000 0.000 0.208 142 D C 1.792 178.117 176.300 0.041 0.000 0.966 142 D CA 0.973 54.953 54.000 -0.033 0.000 0.864 142 D CB 0.078 40.861 40.800 -0.028 0.000 0.933 142 D HN 0.370 nan 8.370 nan 0.000 0.499 143 L N -0.692 120.484 121.223 -0.078 0.000 2.221 143 L HA 0.124 4.464 4.340 -0.000 0.000 0.202 143 L C 1.727 178.596 176.870 -0.002 0.000 1.074 143 L CA 1.113 55.865 54.840 -0.147 0.000 0.795 143 L CB 0.124 41.915 42.059 -0.446 0.000 0.960 143 L HN -0.079 nan 8.230 nan 0.000 0.458 144 L N -0.850 120.340 121.223 -0.054 0.000 2.642 144 L HA 0.455 4.794 4.340 -0.000 0.000 0.233 144 L C 0.429 177.303 176.870 0.008 0.000 1.077 144 L CA 0.379 55.195 54.840 -0.039 0.000 0.879 144 L CB 0.183 42.193 42.059 -0.082 0.000 1.151 144 L HN 0.189 nan 8.230 nan 0.000 0.495 145 A N 0.675 123.509 122.820 0.023 0.000 3.158 145 A HA 0.538 4.858 4.320 -0.000 0.000 0.302 145 A C -2.766 174.862 177.584 0.072 0.000 1.162 145 A CA -0.801 51.274 52.037 0.065 0.000 0.824 145 A CB 0.023 19.082 19.000 0.099 0.000 1.322 145 A HN -0.182 nan 8.150 nan 0.000 0.510 146 P HA 0.322 nan 4.420 nan 0.000 0.275 146 P C -0.618 176.805 177.300 0.205 0.000 1.228 146 P CA 0.116 63.240 63.100 0.040 0.000 0.786 146 P CB 0.355 32.072 31.700 0.027 0.000 0.927 147 Y N 0.720 121.062 120.300 0.069 0.000 2.314 147 Y HA 0.456 5.006 4.550 -0.000 0.000 0.334 147 Y C 1.058 176.983 175.900 0.043 0.000 1.266 147 Y CA -1.417 56.721 58.100 0.064 0.000 1.391 147 Y CB -0.077 38.433 38.460 0.083 0.000 1.306 147 Y HN 0.353 nan 8.280 nan 0.000 0.558 148 A N 3.344 126.274 122.820 0.183 0.000 2.330 148 A HA 0.617 4.937 4.320 -0.000 0.000 0.327 148 A C -0.070 177.555 177.584 0.067 0.000 1.155 148 A CA -1.000 51.094 52.037 0.094 0.000 0.803 148 A CB 0.579 19.614 19.000 0.057 0.000 1.208 148 A HN 0.821 nan 8.150 nan 0.000 0.477 149 R N 0.771 121.303 120.500 0.054 0.000 2.537 149 R HA 0.363 4.703 4.340 -0.000 0.000 0.280 149 R C 1.349 177.659 176.300 0.016 0.000 1.058 149 R CA 1.484 57.607 56.100 0.038 0.000 1.057 149 R CB 0.333 30.648 30.300 0.026 0.000 0.973 149 R HN 1.576 nan 8.270 nan 0.000 0.438 150 G N 1.909 110.714 108.800 0.009 0.000 2.180 150 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.263 150 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.263 150 G C 0.440 175.329 174.900 -0.019 0.000 0.989 150 G CA 0.270 45.365 45.100 -0.008 0.000 0.692 150 G HN 0.856 nan 8.290 nan 0.000 0.526 151 G N -0.943 107.846 108.800 -0.019 0.000 2.522 151 G HA2 0.582 4.542 3.960 -0.000 0.000 0.304 151 G HA3 0.582 4.542 3.960 -0.000 0.000 0.304 151 G C -0.210 174.653 174.900 -0.062 0.000 1.210 151 G CA -0.721 44.364 45.100 -0.026 0.000 0.960 151 G HN 0.326 nan 8.290 nan 0.000 0.497 152 K N 0.197 120.563 120.400 -0.056 0.000 2.293 152 K HA 0.415 4.735 4.320 -0.000 0.000 0.267 152 K C -0.806 175.731 176.600 -0.105 0.000 1.010 152 K CA -0.177 56.064 56.287 -0.077 0.000 0.875 152 K CB 1.577 34.057 32.500 -0.034 0.000 1.106 152 K HN 0.276 nan 8.250 nan 0.000 0.450 153 I N 1.601 122.060 120.570 -0.185 0.000 2.404 153 I HA 0.347 4.517 4.170 -0.000 0.000 0.293 153 I C 0.419 176.422 176.117 -0.190 0.000 0.992 153 I CA -0.685 60.449 61.300 -0.276 0.000 1.149 153 I CB 2.087 39.734 38.000 -0.588 0.000 1.315 153 I HN 0.566 nan 8.210 nan 0.000 0.446 154 G N 6.444 115.182 108.800 -0.103 0.000 2.452 154 G HA2 0.738 4.698 3.960 -0.000 0.000 0.324 154 G HA3 0.738 4.698 3.960 -0.000 0.000 0.324 154 G C -0.969 173.904 174.900 -0.045 0.000 1.214 154 G CA -0.588 44.447 45.100 -0.108 0.000 0.947 154 G HN 0.456 nan 8.290 nan 0.000 0.478 155 L N 1.962 123.094 121.223 -0.150 0.000 2.295 155 L HA 0.428 4.768 4.340 -0.000 0.000 0.281 155 L C -0.861 175.916 176.870 -0.154 0.000 1.018 155 L CA -0.609 54.172 54.840 -0.099 0.000 0.841 155 L CB 0.903 42.891 42.059 -0.118 0.000 1.218 155 L HN 0.303 nan 8.230 nan 0.000 0.424 156 F N 1.411 121.284 119.950 -0.128 0.000 2.385 156 F HA 0.762 5.289 4.527 -0.000 0.000 0.336 156 F C 0.940 176.694 175.800 -0.077 0.000 1.100 156 F CA -0.535 57.393 58.000 -0.119 0.000 1.116 156 F CB 1.944 40.863 39.000 -0.135 0.000 1.166 156 F HN 0.428 nan 8.300 nan 0.000 0.511 157 G N 0.991 109.817 108.800 0.044 0.000 2.658 157 G HA2 0.470 4.430 3.960 -0.000 0.000 0.301 157 G HA3 0.470 4.430 3.960 -0.000 0.000 0.301 157 G C -0.520 174.316 174.900 -0.107 0.000 1.481 157 G CA -0.415 44.690 45.100 0.007 0.000 0.931 157 G HN 0.919 nan 8.290 nan 0.000 0.573 158 G N -0.018 108.705 108.800 -0.129 0.000 2.750 158 G HA2 0.585 4.545 3.960 -0.000 0.000 0.250 158 G HA3 0.585 4.545 3.960 -0.000 0.000 0.250 158 G C 0.931 175.806 174.900 -0.041 0.000 1.230 158 G CA 0.461 45.428 45.100 -0.221 0.000 0.883 158 G HN 1.814 nan 8.290 nan 0.000 0.573 159 A N -0.839 122.032 122.820 0.085 0.000 2.545 159 A HA 0.515 4.835 4.320 -0.000 0.000 0.253 159 A C 1.591 179.254 177.584 0.132 0.000 1.074 159 A CA 1.138 53.331 52.037 0.260 0.000 0.760 159 A CB -0.668 18.516 19.000 0.306 0.000 1.005 159 A HN 2.632 nan 8.150 nan 0.000 0.506 160 G N 0.887 109.762 108.800 0.125 0.000 2.176 160 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.252 160 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.252 160 G C 0.699 175.655 174.900 0.093 0.000 1.024 160 G CA 0.816 45.968 45.100 0.087 0.000 0.755 160 G HN 2.229 nan 8.290 nan 0.000 0.507 161 V N -3.581 116.398 119.914 0.109 0.000 3.590 161 V HA 0.665 4.785 4.120 -0.000 0.000 0.265 161 V C 1.638 177.851 176.094 0.197 0.000 1.239 161 V CA 1.403 63.783 62.300 0.134 0.000 1.117 161 V CB 0.414 32.289 31.823 0.087 0.000 0.818 161 V HN 2.158 nan 8.190 nan 0.000 0.451 162 G N 0.432 109.339 108.800 0.179 0.000 2.155 162 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.130 162 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.130 162 G C 0.517 175.584 174.900 0.279 0.000 1.027 162 G CA 0.191 45.431 45.100 0.233 0.000 0.705 162 G HN 0.441 nan 8.290 nan 0.000 0.496 163 K N -0.002 120.519 120.400 0.202 0.000 1.991 163 K HA -0.100 4.220 4.320 -0.000 0.000 0.212 163 K C 2.536 179.287 176.600 0.252 0.000 1.049 163 K CA 2.079 58.479 56.287 0.189 0.000 0.932 163 K CB -0.446 32.130 32.500 0.126 0.000 0.717 163 K HN 0.269 nan 8.250 nan 0.000 0.441 164 T N 1.274 115.957 114.554 0.215 0.000 2.720 164 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 164 T C 2.071 176.909 174.700 0.230 0.000 1.037 164 T CA 1.327 63.557 62.100 0.217 0.000 1.144 164 T CB -0.234 68.746 68.868 0.185 0.000 0.864 164 T HN -0.034 nan 8.240 nan 0.000 0.444 165 V N 0.484 120.547 119.914 0.249 0.000 2.427 165 V HA -0.064 4.056 4.120 -0.000 0.000 0.248 165 V C 1.955 178.225 176.094 0.293 0.000 1.051 165 V CA 1.280 63.739 62.300 0.265 0.000 1.048 165 V CB -0.682 31.303 31.823 0.270 0.000 0.666 165 V HN 0.369 nan 8.190 nan 0.000 0.456 166 F N 0.188 120.274 119.950 0.227 0.000 2.102 166 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 166 F C 2.143 177.998 175.800 0.093 0.000 1.105 166 F CA 1.779 59.899 58.000 0.200 0.000 1.239 166 F CB -0.183 38.970 39.000 0.255 0.000 0.991 166 F HN 0.012 nan 8.300 nan 0.000 0.474 167 I N -0.132 120.669 120.570 0.385 0.000 2.335 167 I HA -0.357 3.813 4.170 -0.000 0.000 0.251 167 I C 2.258 178.407 176.117 0.054 0.000 1.129 167 I CA 1.477 62.927 61.300 0.250 0.000 1.402 167 I CB -0.312 37.841 38.000 0.256 0.000 1.069 167 I HN 0.287 nan 8.210 nan 0.000 0.424 168 Q N -0.417 119.410 119.800 0.045 0.000 2.123 168 Q HA -0.250 4.090 4.340 -0.000 0.000 0.199 168 Q C 2.011 177.938 176.000 -0.123 0.000 0.966 168 Q CA 1.313 57.087 55.803 -0.048 0.000 0.845 168 Q CB -0.026 28.716 28.738 0.007 0.000 0.907 168 Q HN 0.369 nan 8.270 nan 0.000 0.439 169 E N 0.971 121.051 120.200 -0.200 0.000 2.107 169 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 169 E C 1.762 178.178 176.600 -0.306 0.000 0.982 169 E CA 0.718 56.883 56.400 -0.393 0.000 0.809 169 E CB -0.080 29.034 29.700 -0.977 0.000 0.756 169 E HN 0.256 nan 8.360 nan 0.000 0.459 170 L N 0.063 121.173 121.223 -0.187 0.000 2.017 170 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 170 L C 2.460 179.341 176.870 0.018 0.000 1.073 170 L CA 1.163 56.005 54.840 0.004 0.000 0.745 170 L CB -0.467 41.738 42.059 0.243 0.000 0.894 170 L HN 0.200 nan 8.230 nan 0.000 0.432 171 I N 0.077 120.574 120.570 -0.122 0.000 2.208 171 I HA -0.339 3.831 4.170 -0.000 0.000 0.245 171 I C 2.268 178.339 176.117 -0.078 0.000 1.097 171 I CA 1.606 62.789 61.300 -0.196 0.000 1.363 171 I CB -0.409 37.354 38.000 -0.395 0.000 1.051 171 I HN 0.346 nan 8.210 nan 0.000 0.413 172 N N 0.696 119.336 118.700 -0.100 0.000 2.289 172 N HA -0.154 4.586 4.740 -0.000 0.000 0.184 172 N C 1.471 176.950 175.510 -0.051 0.000 1.016 172 N CA 1.332 54.335 53.050 -0.079 0.000 0.872 172 N CB 0.046 38.471 38.487 -0.104 0.000 0.973 172 N HN 0.286 nan 8.380 nan 0.000 0.433 173 N N -0.503 118.168 118.700 -0.048 0.000 2.420 173 N HA 0.087 4.827 4.740 -0.000 0.000 0.185 173 N C 1.348 176.876 175.510 0.031 0.000 1.033 173 N CA 0.468 53.503 53.050 -0.024 0.000 0.879 173 N CB -0.109 38.343 38.487 -0.058 0.000 1.071 173 N HN 0.127 nan 8.380 nan 0.000 0.437 174 I N 1.574 122.189 120.570 0.075 0.000 2.286 174 I HA -0.004 4.166 4.170 -0.000 0.000 0.245 174 I C 2.242 178.451 176.117 0.153 0.000 1.104 174 I CA 0.647 62.027 61.300 0.133 0.000 1.397 174 I CB -1.606 36.513 38.000 0.198 0.000 1.072 174 I HN -0.015 nan 8.210 nan 0.000 0.417 175 A N 1.297 124.205 122.820 0.146 0.000 1.930 175 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 175 A C 2.332 179.987 177.584 0.118 0.000 1.175 175 A CA 1.478 53.601 52.037 0.143 0.000 0.627 175 A CB -0.450 18.630 19.000 0.133 0.000 0.815 175 A HN 0.404 nan 8.150 nan 0.000 0.443 176 K N -0.058 120.389 120.400 0.079 0.000 2.057 176 K HA 0.041 4.361 4.320 -0.000 0.000 0.206 176 K C 2.195 178.835 176.600 0.066 0.000 1.050 176 K CA 1.094 57.417 56.287 0.059 0.000 0.935 176 K CB -0.340 32.178 32.500 0.030 0.000 0.715 176 K HN 0.379 nan 8.250 nan 0.000 0.439 177 A N 1.606 124.469 122.820 0.072 0.000 2.070 177 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 177 A C 0.987 178.611 177.584 0.067 0.000 1.159 177 A CA 0.830 52.901 52.037 0.057 0.000 0.656 177 A CB -0.589 18.442 19.000 0.052 0.000 0.800 177 A HN 0.297 nan 8.150 nan 0.000 0.453 178 H N -0.861 118.213 119.070 0.005 0.000 2.562 178 H HA 0.376 4.932 4.556 -0.000 0.000 0.352 178 H C 1.128 176.429 175.328 -0.044 0.000 1.125 178 H CA 0.695 56.734 56.048 -0.014 0.000 1.379 178 H CB 1.348 31.114 29.762 0.006 0.000 1.464 178 H HN 0.061 nan 8.280 nan 0.000 0.563 179 G N 2.306 111.009 108.800 -0.163 0.000 2.848 179 G HA2 0.098 4.058 3.960 -0.000 0.000 0.213 179 G HA3 0.098 4.058 3.960 -0.000 0.000 0.213 179 G C 0.913 175.727 174.900 -0.143 0.000 1.101 179 G CA 0.462 45.495 45.100 -0.110 0.000 0.778 179 G HN 0.726 nan 8.290 nan 0.000 0.536 180 G N 0.192 108.964 108.800 -0.046 0.000 3.022 180 G HA2 0.454 4.414 3.960 -0.000 0.000 0.157 180 G HA3 0.454 4.414 3.960 -0.000 0.000 0.157 180 G C -0.564 174.037 174.900 -0.498 0.000 1.691 180 G CA -0.410 44.495 45.100 -0.324 0.000 1.079 180 G HN 0.037 nan 8.290 nan 0.000 0.549 181 F N -0.820 119.075 119.950 -0.092 0.000 2.579 181 F HA 0.668 5.194 4.527 -0.000 0.000 0.324 181 F C 0.441 176.089 175.800 -0.252 0.000 1.058 181 F CA -0.926 56.909 58.000 -0.275 0.000 0.944 181 F CB 2.199 40.774 39.000 -0.708 0.000 1.245 181 F HN 0.148 nan 8.300 nan 0.000 0.477 182 S N 0.487 116.211 115.700 0.040 0.000 2.578 182 S HA 0.823 5.293 4.470 -0.000 0.000 0.301 182 S C -1.100 173.556 174.600 0.094 0.000 1.091 182 S CA -0.732 57.494 58.200 0.044 0.000 1.032 182 S CB 2.149 65.439 63.200 0.150 0.000 1.064 182 S HN 0.309 nan 8.310 nan 0.000 0.508 183 V N 2.709 122.699 119.914 0.125 0.000 2.577 183 V HA 0.476 4.596 4.120 -0.000 0.000 0.303 183 V C -1.267 174.947 176.094 0.199 0.000 1.042 183 V CA -0.654 61.737 62.300 0.151 0.000 0.872 183 V CB 1.380 33.276 31.823 0.121 0.000 0.998 183 V HN 0.835 nan 8.190 nan 0.000 0.423 184 F N 3.418 123.402 119.950 0.056 0.000 2.436 184 F HA 0.704 5.231 4.527 -0.000 0.000 0.340 184 F C 0.302 175.993 175.800 -0.182 0.000 1.113 184 F CA 0.037 58.047 58.000 0.016 0.000 1.022 184 F CB 1.803 40.794 39.000 -0.015 0.000 1.128 184 F HN 0.455 nan 8.300 nan 0.000 0.466 185 T N 4.849 119.042 114.554 -0.603 0.000 2.815 185 T HA 0.467 4.817 4.350 -0.000 0.000 0.289 185 T C 0.026 174.417 174.700 -0.515 0.000 1.000 185 T CA -0.648 61.176 62.100 -0.461 0.000 0.958 185 T CB 1.101 69.793 68.868 -0.294 0.000 0.944 185 T HN 0.871 nan 8.240 nan 0.000 0.442 186 G N 1.905 110.495 108.800 -0.350 0.000 2.333 186 G HA2 0.522 4.482 3.960 -0.000 0.000 0.290 186 G HA3 0.522 4.482 3.960 -0.000 0.000 0.290 186 G C -0.539 174.419 174.900 0.096 0.000 1.150 186 G CA -0.383 44.781 45.100 0.105 0.000 0.895 186 G HN 0.655 nan 8.290 nan 0.000 0.444 187 V N 2.459 122.419 119.914 0.076 0.000 2.349 187 V HA 0.616 4.736 4.120 -0.000 0.000 0.284 187 V C 0.997 177.147 176.094 0.093 0.000 1.014 187 V CA 0.131 62.471 62.300 0.067 0.000 0.826 187 V CB 0.806 32.643 31.823 0.024 0.000 1.009 187 V HN 1.459 nan 8.190 nan 0.000 0.431 188 G N 3.148 112.006 108.800 0.097 0.000 2.249 188 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.273 188 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.273 188 G C 0.111 175.057 174.900 0.078 0.000 1.036 188 G CA 0.514 45.657 45.100 0.071 0.000 0.824 188 G HN 0.592 nan 8.290 nan 0.000 0.504 189 E N -0.895 119.375 120.200 0.117 0.000 2.586 189 E HA 0.463 4.813 4.350 -0.000 0.000 0.232 189 E C 0.677 177.336 176.600 0.099 0.000 0.854 189 E CA -1.006 55.463 56.400 0.114 0.000 0.938 189 E CB 0.613 30.414 29.700 0.169 0.000 1.518 189 E HN 0.334 nan 8.360 nan 0.000 0.400 190 R N 0.564 121.119 120.500 0.091 0.000 2.242 190 R HA 0.199 4.539 4.340 -0.000 0.000 0.334 190 R C 1.021 177.330 176.300 0.014 0.000 1.071 190 R CA 0.065 56.195 56.100 0.049 0.000 0.922 190 R CB 0.199 30.529 30.300 0.049 0.000 1.023 190 R HN 0.398 nan 8.270 nan 0.000 0.458 191 T N 2.126 116.668 114.554 -0.020 0.000 2.760 191 T HA -0.257 4.093 4.350 -0.000 0.000 0.269 191 T C 1.757 176.384 174.700 -0.121 0.000 1.047 191 T CA 1.600 63.641 62.100 -0.098 0.000 1.139 191 T CB -0.167 68.654 68.868 -0.077 0.000 0.855 191 T HN 0.543 nan 8.240 nan 0.000 0.471 192 R N 0.950 121.416 120.500 -0.057 0.000 2.092 192 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 192 R C 2.160 178.434 176.300 -0.042 0.000 1.119 192 R CA 1.616 57.690 56.100 -0.044 0.000 0.970 192 R CB -0.141 30.153 30.300 -0.009 0.000 0.864 192 R HN 0.465 nan 8.270 nan 0.000 0.440 193 E N -0.414 119.777 120.200 -0.014 0.000 2.058 193 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 193 E C 1.914 178.485 176.600 -0.048 0.000 0.997 193 E CA 1.346 57.754 56.400 0.013 0.000 0.801 193 E CB -0.353 29.401 29.700 0.089 0.000 0.746 193 E HN 0.599 nan 8.360 nan 0.000 0.450 194 G N 1.203 109.903 108.800 -0.168 0.000 2.529 194 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.219 194 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.219 194 G C 1.410 176.103 174.900 -0.345 0.000 1.177 194 G CA 1.467 46.227 45.100 -0.565 0.000 0.773 194 G HN 0.285 nan 8.290 nan 0.000 0.573 195 N N 0.406 118.971 118.700 -0.224 0.000 2.166 195 N HA -0.096 4.644 4.740 -0.000 0.000 0.186 195 N C 1.704 177.206 175.510 -0.013 0.000 1.019 195 N CA 1.692 54.700 53.050 -0.070 0.000 0.856 195 N CB -0.139 38.313 38.487 -0.058 0.000 0.993 195 N HN 0.207 nan 8.380 nan 0.000 0.426 196 D N -0.014 120.362 120.400 -0.040 0.000 2.084 196 D HA -0.123 4.516 4.640 -0.000 0.000 0.196 196 D C 1.898 178.174 176.300 -0.040 0.000 0.985 196 D CA 0.584 54.565 54.000 -0.033 0.000 0.826 196 D CB -0.523 40.264 40.800 -0.022 0.000 0.978 196 D HN 0.221 nan 8.370 nan 0.000 0.456 197 L N 0.122 121.314 121.223 -0.052 0.000 2.013 197 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 197 L C 2.297 179.165 176.870 -0.004 0.000 1.073 197 L CA 1.572 56.363 54.840 -0.081 0.000 0.753 197 L CB -0.757 41.199 42.059 -0.172 0.000 0.890 197 L HN 0.066 nan 8.230 nan 0.000 0.432 198 Y N 0.334 120.583 120.300 -0.084 0.000 2.145 198 Y HA -0.277 4.273 4.550 -0.000 0.000 0.286 198 Y C 2.888 178.759 175.900 -0.047 0.000 1.145 198 Y CA 2.216 60.289 58.100 -0.045 0.000 1.148 198 Y CB -0.424 38.011 38.460 -0.042 0.000 0.981 198 Y HN 0.199 nan 8.280 nan 0.000 0.507 199 R N 0.031 120.436 120.500 -0.159 0.000 2.096 199 R HA -0.215 4.125 4.340 -0.000 0.000 0.235 199 R C 2.148 178.347 176.300 -0.169 0.000 1.127 199 R CA 1.800 57.771 56.100 -0.215 0.000 0.968 199 R CB -0.248 29.985 30.300 -0.112 0.000 0.861 199 R HN 0.346 nan 8.270 nan 0.000 0.440 200 E N 0.374 120.503 120.200 -0.117 0.000 2.031 200 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 200 E C 1.931 178.469 176.600 -0.104 0.000 0.994 200 E CA 1.720 58.060 56.400 -0.100 0.000 0.800 200 E CB -0.053 29.595 29.700 -0.087 0.000 0.752 200 E HN 0.217 nan 8.360 nan 0.000 0.447 201 M N 0.384 119.923 119.600 -0.103 0.000 2.195 201 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 201 M C 1.920 178.161 176.300 -0.099 0.000 1.066 201 M CA 1.594 56.847 55.300 -0.079 0.000 1.089 201 M CB -0.779 31.804 32.600 -0.029 0.000 1.377 201 M HN 0.075 nan 8.290 nan 0.000 0.411 202 K N 0.133 120.431 120.400 -0.170 0.000 2.062 202 K HA -0.097 4.223 4.320 -0.000 0.000 0.205 202 K C 1.917 178.453 176.600 -0.106 0.000 1.051 202 K CA 1.028 57.220 56.287 -0.158 0.000 0.941 202 K CB -0.075 32.282 32.500 -0.239 0.000 0.719 202 K HN 0.430 nan 8.250 nan 0.000 0.440 203 E N 0.188 120.326 120.200 -0.104 0.000 2.152 203 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 203 E C 1.739 178.304 176.600 -0.059 0.000 0.983 203 E CA 1.315 57.669 56.400 -0.077 0.000 0.818 203 E CB 0.062 29.716 29.700 -0.077 0.000 0.758 203 E HN 0.266 nan 8.360 nan 0.000 0.467 204 T N -1.013 113.506 114.554 -0.059 0.000 2.904 204 T HA 0.002 4.352 4.350 -0.000 0.000 0.267 204 T C 1.578 176.259 174.700 -0.032 0.000 1.059 204 T CA 0.986 63.060 62.100 -0.044 0.000 1.137 204 T CB 0.019 68.860 68.868 -0.044 0.000 0.879 204 T HN 0.438 nan 8.240 nan 0.000 0.467 205 G N 0.323 109.102 108.800 -0.035 0.000 2.176 205 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.232 205 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.232 205 G C 1.087 175.984 174.900 -0.005 0.000 0.986 205 G CA 0.199 45.287 45.100 -0.020 0.000 0.643 205 G HN 0.448 nan 8.290 nan 0.000 0.522 206 V N 0.343 120.254 119.914 -0.005 0.000 2.392 206 V HA 0.093 4.213 4.120 -0.000 0.000 0.249 206 V C 1.633 177.744 176.094 0.028 0.000 1.059 206 V CA 1.869 64.179 62.300 0.017 0.000 1.051 206 V CB -0.272 31.560 31.823 0.014 0.000 0.658 206 V HN 0.505 nan 8.190 nan 0.000 0.455 207 I N 1.280 121.857 120.570 0.011 0.000 2.378 207 I HA 0.353 4.523 4.170 -0.000 0.000 0.291 207 I C -0.394 175.722 176.117 -0.002 0.000 0.992 207 I CA -0.280 61.035 61.300 0.025 0.000 1.154 207 I CB 1.538 39.565 38.000 0.044 0.000 1.315 207 I HN 0.144 nan 8.210 nan 0.000 0.448 208 N N 6.947 125.656 118.700 0.014 0.000 2.524 208 N HA 0.343 5.083 4.740 -0.000 0.000 0.261 208 N C 0.405 175.924 175.510 0.015 0.000 0.998 208 N CA -0.483 52.570 53.050 0.004 0.000 0.915 208 N CB 1.296 39.788 38.487 0.009 0.000 1.187 208 N HN 0.560 nan 8.380 nan 0.000 0.507 209 L N 1.638 122.866 121.223 0.008 0.000 2.042 209 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 209 L C 0.602 177.486 176.870 0.022 0.000 1.076 209 L CA 1.169 56.024 54.840 0.025 0.000 0.749 209 L CB -0.032 42.038 42.059 0.018 0.000 0.893 209 L HN 0.588 nan 8.230 nan 0.000 0.432 210 E N -0.071 120.137 120.200 0.013 0.000 2.663 210 E HA 0.348 4.698 4.350 -0.000 0.000 0.240 210 E C 0.280 176.888 176.600 0.014 0.000 1.227 210 E CA -0.015 56.393 56.400 0.013 0.000 1.528 210 E CB 0.420 30.124 29.700 0.007 0.000 1.472 210 E HN 0.418 nan 8.360 nan 0.000 0.433 211 G N 0.500 109.312 108.800 0.019 0.000 2.452 211 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.224 211 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.224 211 G C -1.217 173.700 174.900 0.028 0.000 1.208 211 G CA -0.849 44.265 45.100 0.022 0.000 0.946 211 G HN 0.053 nan 8.290 nan 0.000 0.481 212 E N 0.314 120.534 120.200 0.034 0.000 2.343 212 E HA 0.632 4.982 4.350 -0.000 0.000 0.269 212 E C -0.460 176.168 176.600 0.047 0.000 1.047 212 E CA -0.013 56.414 56.400 0.045 0.000 0.874 212 E CB 1.545 31.281 29.700 0.060 0.000 1.033 212 E HN 0.363 nan 8.360 nan 0.000 0.409 213 S N 1.228 116.958 115.700 0.050 0.000 2.570 213 S HA 0.349 4.819 4.470 -0.000 0.000 0.286 213 S C 0.462 175.108 174.600 0.076 0.000 1.099 213 S CA -0.802 57.431 58.200 0.056 0.000 0.913 213 S CB 1.932 65.162 63.200 0.050 0.000 1.085 213 S HN 0.333 nan 8.310 nan 0.000 0.480 214 K N 0.401 120.861 120.400 0.101 0.000 2.358 214 K HA 0.351 4.671 4.320 -0.000 0.000 0.200 214 K C -0.207 176.472 176.600 0.131 0.000 1.030 214 K CA 0.171 56.562 56.287 0.173 0.000 1.097 214 K CB 1.039 33.636 32.500 0.162 0.000 0.862 214 K HN 0.333 nan 8.250 nan 0.000 0.534 215 V N 0.143 120.106 119.914 0.083 0.000 2.876 215 V HA 0.751 4.871 4.120 -0.000 0.000 0.312 215 V C -1.813 174.333 176.094 0.086 0.000 1.085 215 V CA -0.864 61.491 62.300 0.091 0.000 0.945 215 V CB 1.885 33.779 31.823 0.119 0.000 1.017 215 V HN 0.054 nan 8.190 nan 0.000 0.428 216 A N 6.433 129.317 122.820 0.107 0.000 2.318 216 A HA 0.865 5.185 4.320 -0.000 0.000 0.324 216 A C -1.086 176.564 177.584 0.110 0.000 1.170 216 A CA -0.648 51.456 52.037 0.112 0.000 0.810 216 A CB 0.987 20.074 19.000 0.145 0.000 1.198 216 A HN 0.890 nan 8.150 nan 0.000 0.484 217 L N 2.679 123.956 121.223 0.090 0.000 2.307 217 L HA 0.633 4.972 4.340 -0.000 0.000 0.284 217 L C -0.837 176.007 176.870 -0.043 0.000 1.023 217 L CA -0.826 54.038 54.840 0.040 0.000 0.810 217 L CB 1.751 43.913 42.059 0.172 0.000 1.231 217 L HN 0.413 nan 8.230 nan 0.000 0.423 218 V N 3.284 123.060 119.914 -0.230 0.000 2.531 218 V HA 0.515 4.635 4.120 -0.000 0.000 0.301 218 V C -0.867 174.986 176.094 -0.402 0.000 1.034 218 V CA -0.485 61.702 62.300 -0.188 0.000 0.865 218 V CB 1.882 33.630 31.823 -0.124 0.000 0.995 218 V HN 0.388 nan 8.190 nan 0.000 0.424 219 F N 1.827 121.807 119.950 0.049 0.000 2.556 219 F HA 0.804 5.331 4.527 -0.000 0.000 0.314 219 F C 0.566 176.384 175.800 0.029 0.000 1.106 219 F CA -0.678 57.356 58.000 0.056 0.000 0.911 219 F CB 2.669 41.695 39.000 0.043 0.000 1.190 219 F HN 0.554 nan 8.300 nan 0.000 0.448 220 G N 3.692 112.637 108.800 0.242 0.000 3.446 220 G HA2 0.370 4.330 3.960 -0.000 0.000 0.314 220 G HA3 0.370 4.330 3.960 -0.000 0.000 0.314 220 G C -0.890 174.091 174.900 0.134 0.000 1.539 220 G CA -0.494 44.694 45.100 0.147 0.000 0.848 220 G HN 0.306 nan 8.290 nan 0.000 0.488 221 Q N 0.892 120.773 119.800 0.135 0.000 2.177 221 Q HA 0.317 4.657 4.340 -0.000 0.000 0.183 221 Q C 1.858 177.896 176.000 0.062 0.000 1.040 221 Q CA -0.697 55.173 55.803 0.113 0.000 1.089 221 Q CB 0.656 29.449 28.738 0.092 0.000 1.130 221 Q HN 0.696 nan 8.270 nan 0.000 0.575 222 M N -0.395 119.233 119.600 0.047 0.000 2.628 222 M HA 0.067 4.547 4.480 -0.000 0.000 0.232 222 M C 0.731 177.042 176.300 0.017 0.000 1.128 222 M CA 0.562 55.878 55.300 0.027 0.000 1.040 222 M CB -0.295 32.317 32.600 0.021 0.000 1.608 222 M HN 0.330 nan 8.290 nan 0.000 0.507 223 N N 0.653 119.363 118.700 0.017 0.000 2.416 223 N HA -0.014 4.726 4.740 -0.000 0.000 0.177 223 N C -0.017 175.500 175.510 0.011 0.000 1.036 223 N CA 0.526 53.582 53.050 0.010 0.000 0.901 223 N CB -0.259 38.231 38.487 0.005 0.000 0.976 223 N HN 0.477 nan 8.380 nan 0.000 0.444 224 E N 1.772 121.982 120.200 0.018 0.000 2.349 224 E HA 0.299 4.649 4.350 -0.000 0.000 0.265 224 E C -2.145 174.461 176.600 0.011 0.000 1.064 224 E CA -1.776 54.635 56.400 0.017 0.000 0.886 224 E CB 0.534 30.251 29.700 0.028 0.000 1.036 224 E HN 0.214 nan 8.360 nan 0.000 0.413 225 P HA 0.084 nan 4.420 nan 0.000 0.273 225 P C -2.084 175.214 177.300 -0.003 0.000 1.250 225 P CA -1.200 61.901 63.100 0.001 0.000 0.793 225 P CB -0.236 31.465 31.700 0.003 0.000 1.011 226 P HA -0.142 nan 4.420 nan 0.000 0.216 226 P C 1.604 178.890 177.300 -0.022 0.000 1.150 226 P CA 1.997 65.080 63.100 -0.029 0.000 0.837 226 P CB -0.484 31.193 31.700 -0.039 0.000 0.786 227 G N 0.168 108.964 108.800 -0.008 0.000 2.440 227 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 227 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 227 G C 1.653 176.563 174.900 0.017 0.000 1.154 227 G CA 1.029 46.132 45.100 0.005 0.000 0.767 227 G HN 0.329 nan 8.290 nan 0.000 0.552 228 A N 0.633 123.463 122.820 0.017 0.000 1.873 228 A HA 0.030 4.350 4.320 -0.000 0.000 0.215 228 A C 2.441 180.043 177.584 0.030 0.000 1.186 228 A CA 1.708 53.760 52.037 0.025 0.000 0.616 228 A CB -0.388 18.628 19.000 0.025 0.000 0.823 228 A HN 0.335 nan 8.150 nan 0.000 0.442 229 R N -0.550 119.962 120.500 0.021 0.000 2.096 229 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 229 R C 2.315 178.640 176.300 0.042 0.000 1.127 229 R CA 1.153 57.267 56.100 0.025 0.000 0.968 229 R CB -0.406 29.895 30.300 0.003 0.000 0.861 229 R HN 0.502 nan 8.270 nan 0.000 0.440 230 A N 0.360 123.189 122.820 0.016 0.000 2.067 230 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 230 A C 1.718 179.410 177.584 0.180 0.000 1.158 230 A CA 1.176 53.235 52.037 0.036 0.000 0.661 230 A CB -0.009 18.956 19.000 -0.058 0.000 0.801 230 A HN 0.057 nan 8.150 nan 0.000 0.452 231 R N -1.893 118.669 120.500 0.102 0.000 2.344 231 R HA 0.160 4.500 4.340 -0.000 0.000 0.209 231 R C 1.760 178.063 176.300 0.005 0.000 0.886 231 R CA 0.765 56.900 56.100 0.059 0.000 1.040 231 R CB -1.122 29.196 30.300 0.029 0.000 1.114 231 R HN 0.341 nan 8.270 nan 0.000 0.547 232 V N 1.434 121.360 119.914 0.021 0.000 2.594 232 V HA -0.167 3.953 4.120 -0.000 0.000 0.253 232 V C 2.061 178.123 176.094 -0.053 0.000 1.069 232 V CA 2.026 64.320 62.300 -0.011 0.000 1.082 232 V CB -0.327 31.505 31.823 0.014 0.000 0.680 232 V HN 0.284 nan 8.190 nan 0.000 0.469 233 A N -0.211 122.576 122.820 -0.056 0.000 1.902 233 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 233 A C 2.121 179.603 177.584 -0.170 0.000 1.181 233 A CA 1.912 53.868 52.037 -0.135 0.000 0.623 233 A CB -0.525 18.358 19.000 -0.194 0.000 0.818 233 A HN 0.555 nan 8.150 nan 0.000 0.443 234 L N -0.585 120.531 121.223 -0.178 0.000 2.042 234 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 234 L C 2.780 179.554 176.870 -0.159 0.000 1.076 234 L CA 1.917 56.637 54.840 -0.199 0.000 0.749 234 L CB -1.398 40.508 42.059 -0.256 0.000 0.893 234 L HN 0.362 nan 8.230 nan 0.000 0.432 235 T N -0.077 114.400 114.554 -0.129 0.000 2.684 235 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 235 T C 1.845 176.490 174.700 -0.092 0.000 1.036 235 T CA 1.537 63.576 62.100 -0.101 0.000 1.148 235 T CB -0.632 68.192 68.868 -0.073 0.000 0.863 235 T HN 0.575 nan 8.240 nan 0.000 0.436 236 G N 1.245 109.987 108.800 -0.096 0.000 2.422 236 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.218 236 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.218 236 G C 1.508 176.363 174.900 -0.075 0.000 1.146 236 G CA 0.531 45.579 45.100 -0.087 0.000 0.769 236 G HN 0.374 nan 8.290 nan 0.000 0.547 237 L N 1.100 122.262 121.223 -0.102 0.000 2.046 237 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 237 L C 2.764 179.595 176.870 -0.065 0.000 1.077 237 L CA 2.346 57.129 54.840 -0.095 0.000 0.747 237 L CB -1.137 40.842 42.059 -0.134 0.000 0.896 237 L HN 0.153 nan 8.230 nan 0.000 0.432 238 T N -0.115 114.393 114.554 -0.077 0.000 2.833 238 T HA -0.098 4.252 4.350 -0.000 0.000 0.269 238 T C 1.999 176.664 174.700 -0.057 0.000 1.054 238 T CA 1.650 63.712 62.100 -0.063 0.000 1.135 238 T CB -0.203 68.617 68.868 -0.081 0.000 0.869 238 T HN 0.318 nan 8.240 nan 0.000 0.466 239 I N 1.049 121.580 120.570 -0.065 0.000 2.286 239 I HA -0.106 4.064 4.170 -0.000 0.000 0.245 239 I C 2.863 178.965 176.117 -0.026 0.000 1.104 239 I CA 0.940 62.182 61.300 -0.096 0.000 1.397 239 I CB -0.411 37.567 38.000 -0.036 0.000 1.072 239 I HN 0.181 nan 8.210 nan 0.000 0.417 240 A N 0.447 123.315 122.820 0.079 0.000 1.930 240 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 240 A C 2.188 179.847 177.584 0.126 0.000 1.175 240 A CA 1.412 53.559 52.037 0.182 0.000 0.627 240 A CB -0.485 18.564 19.000 0.083 0.000 0.815 240 A HN 0.391 nan 8.150 nan 0.000 0.443 241 E N -1.574 118.650 120.200 0.040 0.000 2.077 241 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 241 E C 1.825 178.434 176.600 0.015 0.000 0.989 241 E CA 1.487 57.899 56.400 0.020 0.000 0.800 241 E CB -0.318 29.380 29.700 -0.003 0.000 0.746 241 E HN 0.764 nan 8.360 nan 0.000 0.452 242 Y N 0.071 120.285 120.300 -0.143 0.000 2.207 242 Y HA -0.269 4.281 4.550 -0.000 0.000 0.287 242 Y C 1.758 177.566 175.900 -0.154 0.000 1.156 242 Y CA 1.518 59.494 58.100 -0.207 0.000 1.182 242 Y CB -0.120 38.131 38.460 -0.348 0.000 0.979 242 Y HN -0.006 nan 8.280 nan 0.000 0.521 243 F N -0.132 119.894 119.950 0.127 0.000 2.186 243 F HA -0.103 4.424 4.527 -0.000 0.000 0.299 243 F C 2.675 178.496 175.800 0.035 0.000 1.090 243 F CA 1.661 59.733 58.000 0.120 0.000 1.307 243 F CB -0.805 38.326 39.000 0.218 0.000 1.019 243 F HN -0.036 nan 8.300 nan 0.000 0.489 244 R N 0.349 120.953 120.500 0.172 0.000 2.066 244 R HA -0.130 4.209 4.340 -0.000 0.000 0.232 244 R C 1.583 177.880 176.300 -0.005 0.000 1.131 244 R CA 1.974 58.118 56.100 0.074 0.000 0.955 244 R CB -0.240 30.087 30.300 0.045 0.000 0.851 244 R HN 0.157 nan 8.270 nan 0.000 0.432 245 D N -0.179 120.177 120.400 -0.074 0.000 2.202 245 D HA -0.070 4.570 4.640 -0.000 0.000 0.214 245 D C 1.829 178.022 176.300 -0.177 0.000 0.967 245 D CA 0.887 54.818 54.000 -0.115 0.000 0.871 245 D CB -0.014 40.716 40.800 -0.117 0.000 1.020 245 D HN 0.194 nan 8.370 nan 0.000 0.474 246 E N 0.526 120.508 120.200 -0.364 0.000 2.190 246 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 246 E C 1.801 178.251 176.600 -0.249 0.000 0.978 246 E CA 0.473 56.612 56.400 -0.434 0.000 0.839 246 E CB 0.070 29.178 29.700 -0.987 0.000 0.787 246 E HN 0.178 nan 8.360 nan 0.000 0.473 247 E N 0.460 120.569 120.200 -0.151 0.000 2.230 247 E HA 0.061 4.411 4.350 -0.000 0.000 0.192 247 E C 0.406 177.053 176.600 0.078 0.000 0.987 247 E CA 0.740 57.195 56.400 0.092 0.000 0.841 247 E CB -0.018 29.914 29.700 0.388 0.000 0.783 247 E HN 0.265 nan 8.360 nan 0.000 0.481 248 G N 1.485 110.305 108.800 0.033 0.000 2.381 248 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.281 248 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.281 248 G C -0.245 174.668 174.900 0.022 0.000 0.984 248 G CA 0.999 46.108 45.100 0.015 0.000 1.339 248 G HN 0.321 nan 8.290 nan 0.000 0.485 249 Q N -0.441 119.380 119.800 0.035 0.000 2.756 249 Q HA 0.309 4.648 4.340 -0.000 0.000 0.295 249 Q C -1.377 174.629 176.000 0.010 0.000 0.903 249 Q CA -1.015 54.781 55.803 -0.011 0.000 0.768 249 Q CB 1.266 29.963 28.738 -0.069 0.000 1.472 249 Q HN 0.257 nan 8.270 nan 0.000 0.416 250 D N 0.811 121.197 120.400 -0.022 0.000 2.434 250 D HA 0.233 4.873 4.640 -0.000 0.000 0.252 250 D C -0.955 175.446 176.300 0.168 0.000 1.185 250 D CA 0.529 54.567 54.000 0.064 0.000 0.886 250 D CB 0.807 41.582 40.800 -0.042 0.000 1.148 250 D HN 0.123 nan 8.370 nan 0.000 0.483 251 V N 3.900 123.883 119.914 0.115 0.000 2.513 251 V HA 0.327 4.447 4.120 -0.000 0.000 0.299 251 V C 0.188 176.222 176.094 -0.101 0.000 1.035 251 V CA -0.901 61.419 62.300 0.033 0.000 0.889 251 V CB 1.751 33.630 31.823 0.093 0.000 0.988 251 V HN 0.403 nan 8.190 nan 0.000 0.440 252 L N 4.870 125.919 121.223 -0.290 0.000 2.272 252 L HA 0.542 4.882 4.340 -0.000 0.000 0.289 252 L C -0.847 175.807 176.870 -0.359 0.000 1.032 252 L CA -0.545 54.044 54.840 -0.419 0.000 0.810 252 L CB 1.516 43.263 42.059 -0.520 0.000 1.205 252 L HN 0.503 nan 8.230 nan 0.000 0.422 253 L N 4.699 125.653 121.223 -0.447 0.000 2.325 253 L HA 0.568 4.908 4.340 -0.000 0.000 0.281 253 L C -1.283 175.254 176.870 -0.555 0.000 1.004 253 L CA 0.154 54.787 54.840 -0.344 0.000 0.823 253 L CB 1.218 43.157 42.059 -0.201 0.000 1.236 253 L HN 0.203 nan 8.230 nan 0.000 0.415 254 F N 5.822 125.672 119.950 -0.167 0.000 2.458 254 F HA 0.614 5.141 4.527 -0.000 0.000 0.336 254 F C -0.091 175.411 175.800 -0.497 0.000 1.114 254 F CA -0.487 57.354 58.000 -0.265 0.000 0.987 254 F CB 1.516 40.410 39.000 -0.177 0.000 1.130 254 F HN 0.219 nan 8.300 nan 0.000 0.458 255 I N 2.828 123.256 120.570 -0.237 0.000 2.439 255 I HA 0.273 4.443 4.170 -0.000 0.000 0.285 255 I C -1.265 174.715 176.117 -0.228 0.000 1.021 255 I CA -0.506 60.603 61.300 -0.319 0.000 1.091 255 I CB 1.759 39.624 38.000 -0.226 0.000 1.242 255 I HN 0.418 nan 8.210 nan 0.000 0.439 256 D N 6.529 126.765 120.400 -0.274 0.000 2.462 256 D HA 0.287 4.927 4.640 -0.000 0.000 0.245 256 D C -1.250 175.060 176.300 0.017 0.000 1.122 256 D CA -0.175 53.800 54.000 -0.042 0.000 0.864 256 D CB 1.119 41.989 40.800 0.116 0.000 1.098 256 D HN 0.430 nan 8.370 nan 0.000 0.541 257 N N 4.227 122.954 118.700 0.045 0.000 2.260 257 N HA 0.142 4.882 4.740 -0.000 0.000 0.293 257 N C 0.461 176.010 175.510 0.065 0.000 1.058 257 N CA -0.514 52.571 53.050 0.059 0.000 0.824 257 N CB 1.680 40.242 38.487 0.126 0.000 1.551 257 N HN 0.255 nan 8.380 nan 0.000 0.475 258 I N 3.612 124.198 120.570 0.026 0.000 2.493 258 I HA -0.057 4.113 4.170 -0.000 0.000 0.254 258 I C 1.728 177.929 176.117 0.139 0.000 1.160 258 I CA 0.769 62.085 61.300 0.025 0.000 1.445 258 I CB -0.547 37.410 38.000 -0.072 0.000 1.086 258 I HN 0.636 nan 8.210 nan 0.000 0.433 259 F N 1.395 121.372 119.950 0.044 0.000 2.161 259 F HA -0.244 4.283 4.527 -0.000 0.000 0.300 259 F C 2.288 178.159 175.800 0.118 0.000 1.089 259 F CA 1.534 59.597 58.000 0.105 0.000 1.282 259 F CB -0.352 38.754 39.000 0.176 0.000 1.010 259 F HN -0.035 nan 8.300 nan 0.000 0.485 260 R N -0.084 120.430 120.500 0.024 0.000 2.193 260 R HA -0.177 4.163 4.340 -0.000 0.000 0.229 260 R C 2.130 178.346 176.300 -0.140 0.000 1.110 260 R CA 1.258 57.294 56.100 -0.108 0.000 0.988 260 R CB -1.631 28.693 30.300 0.040 0.000 0.871 260 R HN 0.508 nan 8.270 nan 0.000 0.458 261 F N 1.388 121.232 119.950 -0.177 0.000 2.113 261 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 261 F C 1.933 177.631 175.800 -0.170 0.000 1.103 261 F CA 1.601 59.515 58.000 -0.144 0.000 1.248 261 F CB -0.459 38.473 39.000 -0.114 0.000 0.999 261 F HN -0.130 nan 8.300 nan 0.000 0.475 262 T N 0.365 114.650 114.554 -0.450 0.000 2.737 262 T HA -0.240 4.110 4.350 -0.000 0.000 0.265 262 T C 1.914 176.353 174.700 -0.435 0.000 1.038 262 T CA 1.611 63.418 62.100 -0.488 0.000 1.144 262 T CB -0.457 68.279 68.868 -0.220 0.000 0.866 262 T HN 0.442 nan 8.240 nan 0.000 0.434 263 Q N 0.681 120.112 119.800 -0.616 0.000 2.061 263 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 263 Q C 2.510 178.345 176.000 -0.275 0.000 0.984 263 Q CA 1.637 57.156 55.803 -0.474 0.000 0.846 263 Q CB -0.330 28.003 28.738 -0.675 0.000 0.902 263 Q HN 0.536 nan 8.270 nan 0.000 0.421 264 A N 0.588 123.239 122.820 -0.282 0.000 1.883 264 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 264 A C 2.301 179.762 177.584 -0.206 0.000 1.186 264 A CA 1.833 53.751 52.037 -0.198 0.000 0.624 264 A CB -1.577 17.321 19.000 -0.169 0.000 0.822 264 A HN 0.631 nan 8.150 nan 0.000 0.444 265 G N -0.878 107.731 108.800 -0.319 0.000 2.513 265 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 265 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 265 G C 1.940 176.754 174.900 -0.143 0.000 1.160 265 G CA 1.640 46.579 45.100 -0.268 0.000 0.767 265 G HN 0.555 nan 8.290 nan 0.000 0.571 266 S N 0.263 115.893 115.700 -0.117 0.000 2.383 266 S HA -0.113 4.357 4.470 -0.000 0.000 0.229 266 S C 2.244 176.800 174.600 -0.073 0.000 1.030 266 S CA 1.742 59.904 58.200 -0.062 0.000 1.002 266 S CB -0.294 62.868 63.200 -0.063 0.000 0.829 266 S HN 0.616 nan 8.310 nan 0.000 0.467 267 E N 0.149 120.299 120.200 -0.083 0.000 2.268 267 E HA -0.070 4.280 4.350 -0.000 0.000 0.195 267 E C 1.756 178.327 176.600 -0.047 0.000 0.995 267 E CA 1.356 57.719 56.400 -0.062 0.000 0.836 267 E CB 0.031 29.696 29.700 -0.058 0.000 0.763 267 E HN 0.658 nan 8.360 nan 0.000 0.491 268 V N -3.235 116.649 119.914 -0.050 0.000 3.605 268 V HA 0.174 4.293 4.120 -0.000 0.000 0.284 268 V C 1.969 178.046 176.094 -0.028 0.000 1.386 268 V CA 0.376 62.655 62.300 -0.035 0.000 1.053 268 V CB 0.812 32.615 31.823 -0.033 0.000 0.857 268 V HN 0.015 nan 8.190 nan 0.000 0.436 269 S N 1.766 117.447 115.700 -0.032 0.000 2.359 269 S HA -0.167 4.303 4.470 -0.000 0.000 0.224 269 S C 2.171 176.765 174.600 -0.012 0.000 1.035 269 S CA 2.307 60.495 58.200 -0.020 0.000 1.018 269 S CB -0.405 62.786 63.200 -0.014 0.000 0.876 269 S HN 0.998 nan 8.310 nan 0.000 0.448 270 A N 0.775 123.587 122.820 -0.013 0.000 1.969 270 A HA 0.107 4.427 4.320 -0.000 0.000 0.218 270 A C 2.137 179.717 177.584 -0.006 0.000 1.169 270 A CA 1.165 53.197 52.037 -0.008 0.000 0.635 270 A CB -0.573 18.421 19.000 -0.010 0.000 0.810 270 A HN 0.579 nan 8.150 nan 0.000 0.445 271 L N -0.836 120.382 121.223 -0.008 0.000 2.418 271 L HA 0.034 4.374 4.340 -0.000 0.000 0.218 271 L C 2.113 178.982 176.870 -0.001 0.000 1.125 271 L CA 0.241 55.078 54.840 -0.004 0.000 0.835 271 L CB -0.204 41.852 42.059 -0.005 0.000 0.953 271 L HN 0.351 nan 8.230 nan 0.000 0.454 272 L N -0.347 120.875 121.223 -0.002 0.000 2.291 272 L HA 0.004 4.344 4.340 -0.000 0.000 0.214 272 L C 1.274 178.146 176.870 0.004 0.000 1.120 272 L CA 0.941 55.782 54.840 0.002 0.000 0.799 272 L CB -0.283 41.775 42.059 -0.002 0.000 0.925 272 L HN 0.479 nan 8.230 nan 0.000 0.446 273 G N 0.248 109.049 108.800 0.002 0.000 2.155 273 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.135 273 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.135 273 G C -0.119 174.783 174.900 0.004 0.000 1.023 273 G CA -0.683 44.419 45.100 0.003 0.000 0.688 273 G HN 0.253 nan 8.290 nan 0.000 0.499 274 R N -0.346 120.156 120.500 0.003 0.000 2.532 274 R HA 0.688 5.028 4.340 -0.000 0.000 0.295 274 R C 0.649 176.953 176.300 0.008 0.000 0.968 274 R CA -0.881 55.222 56.100 0.006 0.000 0.916 274 R CB 1.569 31.873 30.300 0.007 0.000 1.124 274 R HN 0.250 nan 8.270 nan 0.000 0.463 275 I N 4.833 125.409 120.570 0.010 0.000 2.556 275 I HA 0.091 4.261 4.170 -0.000 0.000 0.284 275 I C -1.546 174.582 176.117 0.018 0.000 1.114 275 I CA -1.512 59.796 61.300 0.013 0.000 1.418 275 I CB 0.549 38.557 38.000 0.013 0.000 1.394 275 I HN 0.339 nan 8.210 nan 0.000 0.552 276 P HA 0.125 nan 4.420 nan 0.000 0.277 276 P C -0.378 176.948 177.300 0.043 0.000 1.240 276 P CA -0.323 62.794 63.100 0.030 0.000 0.798 276 P CB 1.469 33.181 31.700 0.019 0.000 0.979 277 S N 0.695 116.436 115.700 0.068 0.000 2.481 277 S HA 0.573 5.043 4.470 -0.000 0.000 0.267 277 S C 0.235 174.892 174.600 0.095 0.000 1.174 277 S CA -0.307 57.941 58.200 0.080 0.000 1.027 277 S CB -0.160 63.098 63.200 0.095 0.000 1.117 277 S HN 0.635 nan 8.310 nan 0.000 0.495 278 A N 0.098 122.987 122.820 0.114 0.000 2.445 278 A HA 0.463 4.783 4.320 -0.000 0.000 0.242 278 A C 0.771 178.459 177.584 0.173 0.000 1.075 278 A CA 0.136 52.243 52.037 0.118 0.000 0.777 278 A CB -0.470 18.595 19.000 0.108 0.000 1.013 278 A HN 1.556 nan 8.150 nan 0.000 0.493 279 V N 0.951 120.934 119.914 0.116 0.000 4.935 279 V HA -0.297 3.823 4.120 -0.000 0.000 0.273 279 V C 1.671 177.740 176.094 -0.042 0.000 0.517 279 V CA 1.662 64.014 62.300 0.087 0.000 0.745 279 V CB -2.583 29.361 31.823 0.202 0.000 0.647 279 V HN 2.839 nan 8.190 nan 0.000 1.220 280 G N -2.518 106.268 108.800 -0.023 0.000 2.166 280 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 280 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 280 G C -0.134 174.692 174.900 -0.123 0.000 0.986 280 G CA 0.654 45.700 45.100 -0.091 0.000 0.683 280 G HN 0.865 nan 8.290 nan 0.000 0.527 281 Y N 0.294 120.613 120.300 0.032 0.000 2.298 281 Y HA 0.504 5.054 4.550 -0.000 0.000 0.329 281 Y C 1.299 177.201 175.900 0.003 0.000 1.293 281 Y CA -0.482 57.630 58.100 0.019 0.000 1.388 281 Y CB 0.468 38.951 38.460 0.039 0.000 1.309 281 Y HN 0.299 nan 8.280 nan 0.000 0.544 282 Q N 2.736 122.661 119.800 0.207 0.000 2.349 282 Q HA 0.015 4.355 4.340 -0.000 0.000 0.287 282 Q C -1.721 174.325 176.000 0.077 0.000 1.044 282 Q CA -0.700 55.156 55.803 0.089 0.000 0.918 282 Q CB -0.135 28.626 28.738 0.039 0.000 1.242 282 Q HN 0.348 nan 8.270 nan 0.000 0.405 283 P HA -0.163 nan 4.420 nan 0.000 0.218 283 P C 0.607 177.927 177.300 0.033 0.000 1.148 283 P CA 1.367 64.492 63.100 0.041 0.000 0.822 283 P CB 0.101 31.818 31.700 0.029 0.000 0.784 284 T N -3.901 110.669 114.554 0.026 0.000 3.219 284 T HA 0.117 4.466 4.350 -0.000 0.000 0.249 284 T C 1.506 176.222 174.700 0.026 0.000 1.099 284 T CA -0.220 61.895 62.100 0.025 0.000 0.988 284 T CB -1.102 67.777 68.868 0.019 0.000 0.999 284 T HN -0.039 nan 8.240 nan 0.000 0.550 285 L N 1.140 122.373 121.223 0.016 0.000 1.991 285 L HA -0.190 4.150 4.340 -0.000 0.000 0.221 285 L C 2.859 179.749 176.870 0.034 0.000 1.079 285 L CA 2.267 57.103 54.840 -0.006 0.000 0.778 285 L CB -0.781 41.238 42.059 -0.066 0.000 0.893 285 L HN 0.409 nan 8.230 nan 0.000 0.437 286 A N -1.082 121.764 122.820 0.044 0.000 1.898 286 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 286 A C 2.306 179.949 177.584 0.098 0.000 1.181 286 A CA 2.168 54.255 52.037 0.083 0.000 0.620 286 A CB -1.202 17.844 19.000 0.076 0.000 0.819 286 A HN 0.653 nan 8.150 nan 0.000 0.442 287 T N -1.866 112.733 114.554 0.074 0.000 2.821 287 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 287 T C 1.322 176.075 174.700 0.087 0.000 1.046 287 T CA 1.434 63.578 62.100 0.074 0.000 1.139 287 T CB -0.458 68.442 68.868 0.053 0.000 0.871 287 T HN 0.351 nan 8.240 nan 0.000 0.454 288 D N 0.969 121.433 120.400 0.107 0.000 2.117 288 D HA -0.024 4.616 4.640 -0.000 0.000 0.197 288 D C 1.968 178.408 176.300 0.233 0.000 0.987 288 D CA 0.966 55.079 54.000 0.188 0.000 0.829 288 D CB -0.408 40.500 40.800 0.180 0.000 0.961 288 D HN 0.389 nan 8.370 nan 0.000 0.460 289 M N 0.410 120.118 119.600 0.180 0.000 2.175 289 M HA -0.065 4.415 4.480 -0.000 0.000 0.264 289 M C 1.996 178.217 176.300 -0.131 0.000 1.063 289 M CA 1.827 57.157 55.300 0.050 0.000 1.119 289 M CB -0.137 32.484 32.600 0.034 0.000 1.377 289 M HN 0.019 nan 8.290 nan 0.000 0.415 290 G N 0.724 109.525 108.800 0.002 0.000 2.433 290 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 290 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 290 G C 1.371 176.267 174.900 -0.007 0.000 1.186 290 G CA 0.916 46.046 45.100 0.051 0.000 0.779 290 G HN 0.463 nan 8.290 nan 0.000 0.543 291 L N -0.339 120.889 121.223 0.008 0.000 2.127 291 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 291 L C 2.670 179.496 176.870 -0.073 0.000 1.089 291 L CA 0.713 55.551 54.840 -0.002 0.000 0.757 291 L CB -0.293 41.790 42.059 0.039 0.000 0.899 291 L HN 0.282 nan 8.230 nan 0.000 0.434 292 L N -1.416 119.707 121.223 -0.167 0.000 2.102 292 L HA -0.080 4.260 4.340 -0.000 0.000 0.202 292 L C 2.555 179.258 176.870 -0.279 0.000 1.076 292 L CA 1.449 56.103 54.840 -0.309 0.000 0.761 292 L CB -0.541 41.124 42.059 -0.656 0.000 0.921 292 L HN 0.105 nan 8.230 nan 0.000 0.444 293 Q N 0.249 119.864 119.800 -0.308 0.000 2.050 293 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 293 Q C 2.069 177.996 176.000 -0.121 0.000 0.980 293 Q CA 1.583 57.218 55.803 -0.280 0.000 0.840 293 Q CB -0.351 28.058 28.738 -0.548 0.000 0.898 293 Q HN 0.602 nan 8.270 nan 0.000 0.424 294 E N 0.349 120.513 120.200 -0.059 0.000 2.409 294 E HA -0.122 4.228 4.350 -0.000 0.000 0.198 294 E C 1.865 178.453 176.600 -0.020 0.000 1.024 294 E CA 0.386 56.791 56.400 0.008 0.000 0.861 294 E CB 0.011 29.740 29.700 0.048 0.000 0.788 294 E HN 0.313 nan 8.360 nan 0.000 0.521 295 R N 0.174 120.640 120.500 -0.056 0.000 2.119 295 R HA 0.103 4.443 4.340 -0.000 0.000 0.222 295 R C 1.020 177.280 176.300 -0.066 0.000 1.088 295 R CA 0.319 56.384 56.100 -0.058 0.000 0.984 295 R CB 0.068 30.322 30.300 -0.078 0.000 0.884 295 R HN 0.062 nan 8.270 nan 0.000 0.447 296 I N 1.787 122.303 120.570 -0.089 0.000 2.293 296 I HA 0.040 4.210 4.170 -0.000 0.000 0.299 296 I C 0.032 176.112 176.117 -0.062 0.000 1.153 296 I CA 0.354 61.600 61.300 -0.091 0.000 1.302 296 I CB 0.503 38.427 38.000 -0.127 0.000 1.460 296 I HN -0.037 nan 8.210 nan 0.000 0.552 297 T N 2.855 117.380 114.554 -0.048 0.000 2.827 297 T HA 0.235 4.585 4.350 -0.000 0.000 0.328 297 T C -0.466 174.216 174.700 -0.030 0.000 1.598 297 T CA -0.420 61.660 62.100 -0.033 0.000 1.043 297 T CB 1.588 70.445 68.868 -0.017 0.000 1.447 297 T HN 0.313 nan 8.240 nan 0.000 0.491 298 T N 3.115 117.653 114.554 -0.027 0.000 2.897 298 T HA 0.629 4.979 4.350 -0.000 0.000 0.294 298 T C 0.404 175.086 174.700 -0.031 0.000 1.004 298 T CA -0.111 61.973 62.100 -0.026 0.000 1.106 298 T CB 0.827 69.680 68.868 -0.024 0.000 0.949 298 T HN 0.888 nan 8.240 nan 0.000 0.520 299 T N -0.259 114.276 114.554 -0.031 0.000 2.742 299 T HA 0.466 4.816 4.350 -0.000 0.000 0.282 299 T C 0.935 175.610 174.700 -0.042 0.000 1.025 299 T CA -1.046 61.030 62.100 -0.041 0.000 1.020 299 T CB 1.341 70.186 68.868 -0.037 0.000 1.317 299 T HN 0.387 nan 8.240 nan 0.000 0.538 300 K N 0.023 120.394 120.400 -0.049 0.000 2.362 300 K HA 0.029 4.349 4.320 -0.000 0.000 0.200 300 K C 1.915 178.493 176.600 -0.037 0.000 1.046 300 K CA 0.858 57.117 56.287 -0.046 0.000 0.952 300 K CB -0.068 32.401 32.500 -0.051 0.000 0.753 300 K HN 0.469 nan 8.250 nan 0.000 0.466 301 K N -0.027 120.352 120.400 -0.035 0.000 2.305 301 K HA 0.025 4.345 4.320 -0.000 0.000 0.199 301 K C 0.675 177.260 176.600 -0.025 0.000 1.047 301 K CA 0.433 56.701 56.287 -0.032 0.000 0.976 301 K CB 0.651 33.129 32.500 -0.036 0.000 0.765 301 K HN 0.183 nan 8.250 nan 0.000 0.474 302 G N -0.618 108.170 108.800 -0.021 0.000 2.489 302 G HA2 0.156 4.116 3.960 -0.000 0.000 0.291 302 G HA3 0.156 4.116 3.960 -0.000 0.000 0.291 302 G C -1.663 173.232 174.900 -0.008 0.000 1.487 302 G CA -0.660 44.434 45.100 -0.010 0.000 0.795 302 G HN -0.126 nan 8.290 nan 0.000 0.513 303 S N -1.020 114.680 115.700 -0.000 0.000 2.462 303 S HA 0.676 5.146 4.470 -0.000 0.000 0.294 303 S C -0.344 174.264 174.600 0.014 0.000 1.144 303 S CA -0.470 57.731 58.200 0.001 0.000 1.088 303 S CB 1.171 64.370 63.200 -0.001 0.000 1.009 303 S HN 0.829 nan 8.310 nan 0.000 0.484 304 V N 4.910 124.822 119.914 -0.005 0.000 2.407 304 V HA 0.390 4.510 4.120 -0.000 0.000 0.291 304 V C -0.093 175.969 176.094 -0.052 0.000 1.018 304 V CA -0.677 61.609 62.300 -0.024 0.000 0.842 304 V CB 1.900 33.702 31.823 -0.034 0.000 0.996 304 V HN 0.879 nan 8.190 nan 0.000 0.426 305 T N 4.135 118.644 114.554 -0.076 0.000 2.733 305 T HA 0.426 4.776 4.350 -0.000 0.000 0.294 305 T C 0.152 174.717 174.700 -0.226 0.000 0.956 305 T CA -0.261 61.771 62.100 -0.113 0.000 0.987 305 T CB 0.773 69.597 68.868 -0.073 0.000 0.920 305 T HN 0.827 nan 8.240 nan 0.000 0.470 306 S N 2.325 117.898 115.700 -0.213 0.000 2.472 306 S HA 0.751 5.221 4.470 -0.000 0.000 0.303 306 S C -0.578 173.859 174.600 -0.272 0.000 1.099 306 S CA -0.806 57.231 58.200 -0.272 0.000 1.077 306 S CB 1.468 64.549 63.200 -0.199 0.000 1.031 306 S HN 0.363 nan 8.310 nan 0.000 0.487 307 V N 3.050 122.780 119.914 -0.307 0.000 2.407 307 V HA 0.453 4.573 4.120 -0.000 0.000 0.291 307 V C -0.595 175.446 176.094 -0.090 0.000 1.018 307 V CA -0.499 61.706 62.300 -0.158 0.000 0.842 307 V CB 1.149 32.984 31.823 0.020 0.000 0.996 307 V HN 0.961 nan 8.190 nan 0.000 0.426 308 Q N 2.920 122.650 119.800 -0.117 0.000 2.331 308 Q HA 0.739 5.079 4.340 -0.000 0.000 0.267 308 Q C -0.105 175.818 176.000 -0.128 0.000 1.006 308 Q CA -0.518 55.208 55.803 -0.128 0.000 0.818 308 Q CB 2.453 31.089 28.738 -0.170 0.000 1.276 308 Q HN 0.909 nan 8.270 nan 0.000 0.450 309 A N 2.271 125.046 122.820 -0.076 0.000 2.440 309 A HA 0.453 4.773 4.320 -0.000 0.000 0.251 309 A C -0.335 177.164 177.584 -0.142 0.000 1.089 309 A CA -0.275 51.720 52.037 -0.070 0.000 0.779 309 A CB 0.456 19.473 19.000 0.028 0.000 1.022 309 A HN 0.513 nan 8.150 nan 0.000 0.492 310 V N 3.952 123.710 119.914 -0.260 0.000 2.385 310 V HA 0.126 4.246 4.120 -0.000 0.000 0.277 310 V C -0.553 175.421 176.094 -0.201 0.000 1.012 310 V CA -0.508 61.583 62.300 -0.349 0.000 0.832 310 V CB 0.295 31.509 31.823 -1.016 0.000 1.028 310 V HN 0.823 nan 8.190 nan 0.000 0.436 311 Y N 4.624 124.837 120.300 -0.146 0.000 2.712 311 Y HA 0.274 4.824 4.550 -0.000 0.000 0.333 311 Y C 0.092 175.800 175.900 -0.319 0.000 1.225 311 Y CA 0.446 58.416 58.100 -0.217 0.000 1.499 311 Y CB 0.885 39.185 38.460 -0.265 0.000 1.288 311 Y HN 0.396 nan 8.280 nan 0.000 0.575 312 V N 9.355 128.712 119.914 -0.927 0.000 2.313 312 V HA 0.289 4.409 4.120 -0.000 0.000 0.278 312 V C -2.237 173.270 176.094 -0.979 0.000 1.017 312 V CA -2.104 59.805 62.300 -0.652 0.000 0.823 312 V CB 1.006 32.679 31.823 -0.250 0.000 1.010 312 V HN 0.716 nan 8.190 nan 0.000 0.443 313 P HA 0.212 nan 4.420 nan 0.000 0.268 313 P C 0.643 177.843 177.300 -0.166 0.000 1.204 313 P CA 0.595 63.494 63.100 -0.334 0.000 0.768 313 P CB 0.853 32.539 31.700 -0.023 0.000 0.842 314 A N 3.508 126.278 122.820 -0.084 0.000 2.829 314 A HA -0.277 4.043 4.320 -0.000 0.000 0.267 314 A C 1.025 178.573 177.584 -0.059 0.000 1.370 314 A CA 1.400 53.417 52.037 -0.033 0.000 0.900 314 A CB -2.580 16.423 19.000 0.005 0.000 1.044 314 A HN 0.609 nan 8.150 nan 0.000 0.691 315 D N -2.205 118.120 120.400 -0.125 0.000 2.946 315 D HA -0.170 4.470 4.640 -0.000 0.000 0.202 315 D C -0.215 176.052 176.300 -0.055 0.000 1.068 315 D CA 2.103 56.047 54.000 -0.093 0.000 1.011 315 D CB -1.201 39.571 40.800 -0.047 0.000 1.105 315 D HN 0.931 nan 8.370 nan 0.000 0.425 316 D N 0.177 120.551 120.400 -0.044 0.000 2.380 316 D HA 0.270 4.910 4.640 -0.000 0.000 0.230 316 D C 1.469 177.786 176.300 0.028 0.000 1.154 316 D CA -0.296 53.702 54.000 -0.003 0.000 0.859 316 D CB 0.420 41.229 40.800 0.015 0.000 1.045 316 D HN 0.095 nan 8.370 nan 0.000 0.495 317 L N 2.513 123.764 121.223 0.048 0.000 2.275 317 L HA -0.067 4.273 4.340 -0.000 0.000 0.215 317 L C 2.261 179.208 176.870 0.128 0.000 1.119 317 L CA 1.186 56.098 54.840 0.121 0.000 0.790 317 L CB -0.363 41.760 42.059 0.106 0.000 0.919 317 L HN 0.499 nan 8.230 nan 0.000 0.443 318 T N -4.273 110.320 114.554 0.065 0.000 3.160 318 T HA -0.063 4.287 4.350 -0.000 0.000 0.257 318 T C 0.515 175.271 174.700 0.092 0.000 1.147 318 T CA -0.326 61.811 62.100 0.061 0.000 1.064 318 T CB -0.619 68.264 68.868 0.026 0.000 0.949 318 T HN 0.169 nan 8.240 nan 0.000 0.526 319 D N 2.347 122.816 120.400 0.115 0.000 2.458 319 D HA 0.141 4.781 4.640 -0.000 0.000 0.243 319 D C -1.323 175.060 176.300 0.138 0.000 1.146 319 D CA -1.747 52.347 54.000 0.157 0.000 0.877 319 D CB 1.118 42.024 40.800 0.177 0.000 1.176 319 D HN -0.038 nan 8.370 nan 0.000 0.461 320 P HA -0.278 nan 4.420 nan 0.000 0.218 320 P C 0.650 177.879 177.300 -0.117 0.000 1.152 320 P CA 1.950 65.028 63.100 -0.037 0.000 0.857 320 P CB 0.077 31.698 31.700 -0.131 0.000 0.787 321 A N -0.042 122.678 122.820 -0.166 0.000 1.832 321 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 321 A C 0.013 177.685 177.584 0.147 0.000 1.200 321 A CA 2.171 54.193 52.037 -0.026 0.000 0.610 321 A CB -2.188 16.966 19.000 0.258 0.000 0.842 321 A HN 0.216 nan 8.150 nan 0.000 0.444 322 P HA -0.111 nan 4.420 nan 0.000 0.217 322 P C 1.549 179.082 177.300 0.388 0.000 1.150 322 P CA 1.955 65.220 63.100 0.276 0.000 0.832 322 P CB -0.165 31.707 31.700 0.286 0.000 0.787 323 A N 0.052 123.072 122.820 0.333 0.000 1.933 323 A HA -0.119 4.200 4.320 -0.000 0.000 0.218 323 A C 2.267 180.052 177.584 0.334 0.000 1.175 323 A CA 2.209 54.468 52.037 0.370 0.000 0.628 323 A CB -1.918 17.193 19.000 0.184 0.000 0.814 323 A HN 0.195 nan 8.150 nan 0.000 0.444 324 T N -0.336 114.349 114.554 0.219 0.000 3.072 324 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 324 T C 1.643 176.516 174.700 0.288 0.000 1.127 324 T CA 1.575 63.794 62.100 0.198 0.000 1.107 324 T CB -0.238 68.705 68.868 0.125 0.000 0.910 324 T HN 0.547 nan 8.240 nan 0.000 0.513 325 T N 1.280 116.010 114.554 0.294 0.000 3.014 325 T HA 0.137 4.487 4.350 -0.000 0.000 0.263 325 T C 1.430 176.314 174.700 0.308 0.000 1.078 325 T CA 0.309 62.575 62.100 0.276 0.000 1.135 325 T CB -0.301 68.629 68.868 0.104 0.000 0.895 325 T HN 0.305 nan 8.240 nan 0.000 0.480 326 F N 2.272 122.396 119.950 0.290 0.000 2.065 326 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 326 F C 2.678 178.534 175.800 0.093 0.000 1.112 326 F CA 1.297 59.394 58.000 0.161 0.000 1.212 326 F CB -0.671 38.304 39.000 -0.041 0.000 0.975 326 F HN 0.134 nan 8.300 nan 0.000 0.476 327 A N -1.511 121.427 122.820 0.196 0.000 2.172 327 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 327 A C 1.629 179.172 177.584 -0.069 0.000 1.154 327 A CA 1.059 53.109 52.037 0.022 0.000 0.701 327 A CB -1.018 17.938 19.000 -0.073 0.000 0.789 327 A HN 0.486 nan 8.150 nan 0.000 0.465 328 H N -1.039 118.086 119.070 0.092 0.000 2.556 328 H HA 0.244 4.800 4.556 -0.000 0.000 0.268 328 H C -0.219 175.131 175.328 0.036 0.000 0.996 328 H CA 0.516 56.593 56.048 0.048 0.000 1.157 328 H CB -0.039 29.737 29.762 0.024 0.000 1.355 328 H HN 0.340 nan 8.280 nan 0.000 0.597 329 L N 0.342 121.649 121.223 0.141 0.000 2.346 329 L HA 0.177 4.517 4.340 -0.000 0.000 0.274 329 L C 0.824 177.741 176.870 0.078 0.000 1.007 329 L CA -0.598 54.303 54.840 0.101 0.000 0.818 329 L CB 2.164 44.299 42.059 0.126 0.000 1.284 329 L HN -0.147 nan 8.230 nan 0.000 0.424 330 D N 1.415 121.842 120.400 0.045 0.000 2.305 330 D HA 0.161 4.801 4.640 -0.000 0.000 0.206 330 D C 0.266 176.606 176.300 0.066 0.000 0.974 330 D CA 0.625 54.652 54.000 0.046 0.000 0.871 330 D CB 0.757 41.573 40.800 0.026 0.000 0.947 330 D HN 0.486 nan 8.370 nan 0.000 0.516 331 A N 0.513 123.370 122.820 0.061 0.000 2.437 331 A HA 0.521 4.841 4.320 -0.000 0.000 0.293 331 A C -0.522 177.132 177.584 0.117 0.000 1.038 331 A CA -0.708 51.395 52.037 0.110 0.000 0.708 331 A CB 1.251 20.351 19.000 0.167 0.000 1.251 331 A HN -0.031 nan 8.150 nan 0.000 0.409 332 T N -0.138 114.519 114.554 0.172 0.000 2.786 332 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 332 T C -0.260 174.558 174.700 0.197 0.000 0.992 332 T CA -0.455 61.766 62.100 0.202 0.000 0.954 332 T CB 1.023 70.008 68.868 0.195 0.000 0.934 332 T HN 0.458 nan 8.240 nan 0.000 0.440 333 T N 3.600 118.273 114.554 0.198 0.000 2.738 333 T HA 0.449 4.799 4.350 -0.000 0.000 0.298 333 T C 0.128 174.896 174.700 0.113 0.000 0.962 333 T CA -0.558 61.614 62.100 0.119 0.000 0.972 333 T CB 0.628 69.496 68.868 -0.001 0.000 0.928 333 T HN 0.620 nan 8.240 nan 0.000 0.474 334 V N 5.851 125.820 119.914 0.092 0.000 2.364 334 V HA 0.366 4.486 4.120 -0.000 0.000 0.272 334 V C 0.214 176.344 176.094 0.061 0.000 1.036 334 V CA -0.812 61.548 62.300 0.100 0.000 0.880 334 V CB 0.788 32.654 31.823 0.072 0.000 0.991 334 V HN 0.748 nan 8.190 nan 0.000 0.460 335 L N 3.782 125.043 121.223 0.063 0.000 2.334 335 L HA 0.602 4.942 4.340 -0.000 0.000 0.277 335 L C 0.370 177.265 176.870 0.041 0.000 1.075 335 L CA 0.106 54.976 54.840 0.050 0.000 0.804 335 L CB 1.716 43.810 42.059 0.058 0.000 1.174 335 L HN 0.673 nan 8.230 nan 0.000 0.438 336 S N 1.576 117.291 115.700 0.025 0.000 2.532 336 S HA 0.335 4.805 4.470 -0.000 0.000 0.299 336 S C 0.620 175.216 174.600 -0.007 0.000 1.105 336 S CA -0.727 57.477 58.200 0.007 0.000 1.018 336 S CB 1.795 64.996 63.200 0.001 0.000 1.021 336 S HN 0.714 nan 8.310 nan 0.000 0.483 337 R N 3.074 123.570 120.500 -0.006 0.000 2.115 337 R HA -0.016 4.324 4.340 -0.000 0.000 0.230 337 R C 2.073 178.360 176.300 -0.022 0.000 1.111 337 R CA 1.662 57.757 56.100 -0.008 0.000 0.976 337 R CB -0.881 29.419 30.300 -0.001 0.000 0.870 337 R HN 0.841 nan 8.270 nan 0.000 0.445 338 G N 1.521 110.309 108.800 -0.021 0.000 2.469 338 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 338 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 338 G C 1.345 176.224 174.900 -0.035 0.000 1.136 338 G CA 0.688 45.773 45.100 -0.024 0.000 0.759 338 G HN 0.196 nan 8.290 nan 0.000 0.562 339 I N 1.938 122.482 120.570 -0.044 0.000 2.333 339 I HA -0.092 4.078 4.170 -0.000 0.000 0.246 339 I C 3.056 179.087 176.117 -0.143 0.000 1.106 339 I CA 1.656 62.920 61.300 -0.061 0.000 1.411 339 I CB -1.175 36.802 38.000 -0.039 0.000 1.082 339 I HN 0.356 nan 8.210 nan 0.000 0.420 340 S N 0.372 115.958 115.700 -0.190 0.000 2.453 340 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 340 S C 1.658 176.131 174.600 -0.213 0.000 1.005 340 S CA 0.633 58.609 58.200 -0.374 0.000 0.949 340 S CB -0.451 62.605 63.200 -0.239 0.000 0.774 340 S HN 0.468 nan 8.310 nan 0.000 0.510 341 E N 1.171 121.316 120.200 -0.092 0.000 2.204 341 E HA 0.010 4.360 4.350 -0.000 0.000 0.194 341 E C 1.654 178.234 176.600 -0.033 0.000 0.989 341 E CA 1.014 57.392 56.400 -0.036 0.000 0.824 341 E CB -0.302 29.386 29.700 -0.020 0.000 0.756 341 E HN 0.587 nan 8.360 nan 0.000 0.477 342 L N -0.619 120.572 121.223 -0.053 0.000 2.552 342 L HA 0.084 4.424 4.340 -0.000 0.000 0.227 342 L C 1.488 178.345 176.870 -0.020 0.000 1.146 342 L CA 0.541 55.362 54.840 -0.031 0.000 0.858 342 L CB -0.181 41.869 42.059 -0.015 0.000 0.969 342 L HN 0.281 nan 8.230 nan 0.000 0.451 343 G N 0.526 109.302 108.800 -0.041 0.000 2.141 343 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.242 343 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.242 343 G C 0.194 175.161 174.900 0.112 0.000 0.982 343 G CA -0.450 44.692 45.100 0.070 0.000 0.662 343 G HN 0.152 nan 8.290 nan 0.000 0.527 344 I N 1.035 121.559 120.570 -0.077 0.000 2.379 344 I HA 0.449 4.619 4.170 -0.000 0.000 0.290 344 I C -0.019 175.910 176.117 -0.314 0.000 1.063 344 I CA -0.569 60.717 61.300 -0.023 0.000 1.351 344 I CB -0.320 37.687 38.000 0.013 0.000 1.410 344 I HN 0.081 nan 8.210 nan 0.000 0.505 345 Y N 7.085 127.398 120.300 0.022 0.000 2.477 345 Y HA 0.422 4.972 4.550 -0.000 0.000 0.347 345 Y C -2.148 173.622 175.900 -0.216 0.000 0.981 345 Y CA -2.558 55.494 58.100 -0.080 0.000 1.033 345 Y CB 2.045 40.429 38.460 -0.128 0.000 1.245 345 Y HN 0.410 nan 8.280 nan 0.000 0.455 346 P HA 0.114 nan 4.420 nan 0.000 0.271 346 P C -0.356 177.050 177.300 0.176 0.000 1.216 346 P CA -0.152 63.056 63.100 0.180 0.000 0.776 346 P CB 1.145 33.102 31.700 0.428 0.000 0.881 347 A N 3.802 126.710 122.820 0.147 0.000 2.604 347 A HA 0.180 4.499 4.320 -0.000 0.000 0.248 347 A C 0.579 178.200 177.584 0.063 0.000 1.466 347 A CA -0.244 51.796 52.037 0.005 0.000 1.222 347 A CB -1.212 17.736 19.000 -0.088 0.000 0.945 347 A HN 0.388 nan 8.150 nan 0.000 0.600 348 V N 1.170 121.152 119.914 0.113 0.000 2.572 348 V HA 0.012 4.132 4.120 -0.000 0.000 0.291 348 V C 0.500 176.630 176.094 0.060 0.000 1.039 348 V CA -0.322 62.036 62.300 0.096 0.000 1.055 348 V CB 1.035 32.943 31.823 0.141 0.000 0.969 348 V HN 0.590 nan 8.190 nan 0.000 0.482 349 D N 7.945 128.371 120.400 0.043 0.000 2.344 349 D HA 0.141 4.781 4.640 -0.000 0.000 0.253 349 D C -1.227 175.089 176.300 0.027 0.000 1.255 349 D CA -1.966 52.052 54.000 0.029 0.000 0.894 349 D CB 1.564 42.375 40.800 0.017 0.000 1.067 349 D HN 0.302 nan 8.370 nan 0.000 0.492 350 P HA -0.044 nan 4.420 nan 0.000 0.234 350 P C 1.076 178.376 177.300 0.001 0.000 1.167 350 P CA 0.480 63.588 63.100 0.013 0.000 0.763 350 P CB 0.435 32.145 31.700 0.017 0.000 0.835 351 L N -1.345 119.879 121.223 0.001 0.000 2.766 351 L HA 0.263 4.603 4.340 -0.000 0.000 0.242 351 L C 1.365 178.221 176.870 -0.023 0.000 1.136 351 L CA 0.310 55.143 54.840 -0.012 0.000 0.933 351 L CB 0.095 42.147 42.059 -0.011 0.000 1.241 351 L HN -0.163 nan 8.230 nan 0.000 0.522 352 D N -0.842 119.548 120.400 -0.017 0.000 2.469 352 D HA 0.095 4.735 4.640 -0.000 0.000 0.213 352 D C 0.274 176.568 176.300 -0.010 0.000 1.135 352 D CA 0.234 54.213 54.000 -0.034 0.000 0.834 352 D CB 0.728 41.505 40.800 -0.038 0.000 1.009 352 D HN -0.090 nan 8.370 nan 0.000 0.507 353 S N 0.644 116.353 115.700 0.015 0.000 2.525 353 S HA 0.478 4.948 4.470 -0.000 0.000 0.278 353 S C -0.107 174.521 174.600 0.046 0.000 1.234 353 S CA -0.457 57.772 58.200 0.048 0.000 1.058 353 S CB 1.642 64.879 63.200 0.063 0.000 0.983 353 S HN -0.020 nan 8.310 nan 0.000 0.495 354 K N 1.286 121.731 120.400 0.075 0.000 2.508 354 K HA 0.643 4.963 4.320 -0.000 0.000 0.260 354 K C -1.066 175.596 176.600 0.104 0.000 0.949 354 K CA -0.658 55.669 56.287 0.067 0.000 0.834 354 K CB 2.163 34.688 32.500 0.042 0.000 1.365 354 K HN 0.559 nan 8.250 nan 0.000 0.437 355 S N 0.732 116.486 115.700 0.090 0.000 2.562 355 S HA 0.183 4.653 4.470 -0.000 0.000 0.274 355 S C 0.479 175.127 174.600 0.079 0.000 1.160 355 S CA -0.765 57.499 58.200 0.106 0.000 0.933 355 S CB 1.118 64.399 63.200 0.135 0.000 1.100 355 S HN 0.727 nan 8.310 nan 0.000 0.468 356 R N 3.896 124.439 120.500 0.070 0.000 2.237 356 R HA 0.112 4.452 4.340 -0.000 0.000 0.219 356 R C 0.952 177.279 176.300 0.047 0.000 1.080 356 R CA 0.989 57.121 56.100 0.053 0.000 0.995 356 R CB -0.580 29.745 30.300 0.043 0.000 0.875 356 R HN 0.657 nan 8.270 nan 0.000 0.462 357 L N 1.253 122.506 121.223 0.050 0.000 2.610 357 L HA 0.062 4.402 4.340 -0.000 0.000 0.232 357 L C 0.813 177.695 176.870 0.020 0.000 1.149 357 L CA -0.113 54.744 54.840 0.029 0.000 0.872 357 L CB -0.151 41.925 42.059 0.028 0.000 0.992 357 L HN 0.161 nan 8.230 nan 0.000 0.447 358 L N 1.433 122.688 121.223 0.053 0.000 2.384 358 L HA 0.218 4.558 4.340 -0.000 0.000 0.258 358 L C -0.544 176.452 176.870 0.210 0.000 1.266 358 L CA 0.388 55.282 54.840 0.089 0.000 1.162 358 L CB -0.468 41.637 42.059 0.075 0.000 1.375 358 L HN -0.013 nan 8.230 nan 0.000 0.420 359 D N 1.646 122.121 120.400 0.125 0.000 2.934 359 D HA 0.436 5.076 4.640 -0.000 0.000 0.230 359 D C 0.687 176.926 176.300 -0.101 0.000 1.204 359 D CA 0.066 54.065 54.000 -0.003 0.000 0.873 359 D CB 2.167 42.951 40.800 -0.027 0.000 1.645 359 D HN 0.240 nan 8.370 nan 0.000 0.502 360 A N 3.240 125.840 122.820 -0.367 0.000 1.933 360 A HA 0.052 4.372 4.320 -0.000 0.000 0.218 360 A C 2.099 179.608 177.584 -0.125 0.000 1.175 360 A CA 2.046 53.936 52.037 -0.245 0.000 0.628 360 A CB -0.879 17.901 19.000 -0.367 0.000 0.814 360 A HN 0.745 nan 8.150 nan 0.000 0.444 361 A N -0.832 121.911 122.820 -0.128 0.000 2.042 361 A HA -0.052 4.268 4.320 -0.000 0.000 0.222 361 A C 2.082 179.635 177.584 -0.052 0.000 1.167 361 A CA 2.274 54.266 52.037 -0.075 0.000 0.649 361 A CB -0.547 18.412 19.000 -0.068 0.000 0.809 361 A HN 0.493 nan 8.150 nan 0.000 0.457 362 V N -1.245 118.636 119.914 -0.055 0.000 2.743 362 V HA -0.047 4.073 4.120 -0.000 0.000 0.237 362 V C 2.288 178.349 176.094 -0.055 0.000 1.113 362 V CA 1.213 63.487 62.300 -0.045 0.000 1.141 362 V CB 0.015 31.814 31.823 -0.040 0.000 0.873 362 V HN 0.502 nan 8.190 nan 0.000 0.486 363 V N -1.303 118.557 119.914 -0.091 0.000 3.506 363 V HA 0.702 4.822 4.120 -0.000 0.000 0.263 363 V C 0.877 176.961 176.094 -0.016 0.000 1.203 363 V CA 0.408 62.617 62.300 -0.151 0.000 1.133 363 V CB -0.677 30.811 31.823 -0.558 0.000 0.802 363 V HN 0.925 nan 8.190 nan 0.000 0.459 364 G N 0.288 109.093 108.800 0.009 0.000 2.663 364 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 364 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 364 G C -0.191 174.764 174.900 0.092 0.000 1.246 364 G CA 0.206 45.335 45.100 0.049 0.000 0.795 364 G HN 0.408 nan 8.290 nan 0.000 0.627 365 Q N -0.065 119.778 119.800 0.071 0.000 2.084 365 Q HA -0.061 4.279 4.340 -0.000 0.000 0.202 365 Q C 2.378 178.477 176.000 0.164 0.000 0.978 365 Q CA 2.781 58.642 55.803 0.097 0.000 0.844 365 Q CB -0.231 28.540 28.738 0.055 0.000 0.898 365 Q HN 0.795 nan 8.270 nan 0.000 0.426 366 E N -1.170 119.113 120.200 0.139 0.000 2.058 366 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 366 E C 1.943 178.650 176.600 0.178 0.000 0.997 366 E CA 1.220 57.702 56.400 0.136 0.000 0.801 366 E CB -0.275 29.488 29.700 0.104 0.000 0.746 366 E HN 0.530 nan 8.360 nan 0.000 0.450 367 H N -0.304 118.821 119.070 0.091 0.000 2.319 367 H HA -0.206 4.350 4.556 -0.000 0.000 0.299 367 H C 1.901 177.280 175.328 0.085 0.000 1.092 367 H CA 2.005 58.098 56.048 0.075 0.000 1.302 367 H CB -0.645 29.159 29.762 0.069 0.000 1.373 367 H HN 0.330 nan 8.280 nan 0.000 0.497 368 Y N 1.372 121.806 120.300 0.224 0.000 2.274 368 Y HA -0.176 4.374 4.550 -0.000 0.000 0.290 368 Y C 1.897 177.853 175.900 0.094 0.000 1.145 368 Y CA 1.942 60.117 58.100 0.126 0.000 1.203 368 Y CB -0.065 38.425 38.460 0.050 0.000 0.984 368 Y HN 0.204 nan 8.280 nan 0.000 0.533 369 D N -0.926 119.589 120.400 0.192 0.000 2.137 369 D HA -0.142 4.498 4.640 -0.000 0.000 0.202 369 D C 2.381 178.693 176.300 0.021 0.000 0.970 369 D CA 1.431 55.490 54.000 0.099 0.000 0.837 369 D CB -0.353 40.524 40.800 0.127 0.000 0.981 369 D HN 0.252 nan 8.370 nan 0.000 0.475 370 V N 1.403 121.338 119.914 0.035 0.000 2.295 370 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 370 V C 2.521 178.588 176.094 -0.045 0.000 1.049 370 V CA 1.896 64.202 62.300 0.010 0.000 1.024 370 V CB -0.928 30.898 31.823 0.005 0.000 0.648 370 V HN 0.186 nan 8.190 nan 0.000 0.447 371 A N -0.461 122.315 122.820 -0.075 0.000 1.908 371 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 371 A C 2.501 179.991 177.584 -0.157 0.000 1.181 371 A CA 2.462 54.427 52.037 -0.121 0.000 0.627 371 A CB -0.825 18.128 19.000 -0.078 0.000 0.818 371 A HN 0.498 nan 8.150 nan 0.000 0.445 372 S N -0.787 114.779 115.700 -0.224 0.000 2.353 372 S HA -0.172 4.298 4.470 -0.000 0.000 0.222 372 S C 2.068 176.615 174.600 -0.088 0.000 1.035 372 S CA 1.699 59.778 58.200 -0.201 0.000 1.025 372 S CB -0.266 62.796 63.200 -0.231 0.000 0.902 372 S HN 0.635 nan 8.310 nan 0.000 0.440 373 K N 0.714 121.084 120.400 -0.049 0.000 2.097 373 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 373 K C 1.977 178.581 176.600 0.006 0.000 1.049 373 K CA 0.918 57.200 56.287 -0.007 0.000 0.933 373 K CB -0.215 32.295 32.500 0.017 0.000 0.717 373 K HN 0.144 nan 8.250 nan 0.000 0.442 374 V N 1.633 121.547 119.914 0.000 0.000 2.255 374 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 374 V C 2.244 178.341 176.094 0.006 0.000 1.051 374 V CA 1.850 64.162 62.300 0.020 0.000 1.018 374 V CB -0.430 31.378 31.823 -0.024 0.000 0.641 374 V HN 0.441 nan 8.190 nan 0.000 0.445 375 Q N -0.697 119.087 119.800 -0.026 0.000 2.170 375 Q HA -0.240 4.100 4.340 -0.000 0.000 0.203 375 Q C 2.230 178.230 176.000 -0.001 0.000 0.976 375 Q CA 1.596 57.387 55.803 -0.019 0.000 0.858 375 Q CB -0.176 28.535 28.738 -0.045 0.000 0.907 375 Q HN 0.700 nan 8.270 nan 0.000 0.433 376 E N -0.025 120.173 120.200 -0.004 0.000 2.072 376 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 376 E C 1.998 178.614 176.600 0.027 0.000 0.985 376 E CA 1.502 57.907 56.400 0.008 0.000 0.801 376 E CB 0.093 29.796 29.700 0.004 0.000 0.750 376 E HN 0.316 nan 8.360 nan 0.000 0.452 377 T N 1.655 116.228 114.554 0.032 0.000 2.674 377 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 377 T C 1.989 176.734 174.700 0.075 0.000 1.039 377 T CA 0.873 62.999 62.100 0.043 0.000 1.150 377 T CB -0.272 68.617 68.868 0.035 0.000 0.864 377 T HN 0.086 nan 8.240 nan 0.000 0.427 378 L N 0.765 122.034 121.223 0.076 0.000 2.079 378 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 378 L C 2.842 179.784 176.870 0.120 0.000 1.081 378 L CA 1.256 56.168 54.840 0.119 0.000 0.752 378 L CB -0.445 41.666 42.059 0.087 0.000 0.896 378 L HN 0.252 nan 8.230 nan 0.000 0.433 379 Q N -0.469 119.370 119.800 0.066 0.000 2.187 379 Q HA -0.111 4.229 4.340 -0.000 0.000 0.199 379 Q C 2.008 178.034 176.000 0.042 0.000 0.957 379 Q CA 1.800 57.624 55.803 0.037 0.000 0.857 379 Q CB -0.131 28.615 28.738 0.013 0.000 0.929 379 Q HN 0.314 nan 8.270 nan 0.000 0.453 380 T N 0.205 114.796 114.554 0.062 0.000 2.684 380 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 380 T C 1.222 175.987 174.700 0.109 0.000 1.036 380 T CA 1.576 63.717 62.100 0.068 0.000 1.148 380 T CB -0.665 68.243 68.868 0.066 0.000 0.863 380 T HN 0.414 nan 8.240 nan 0.000 0.436 381 Y N 2.102 122.400 120.300 -0.003 0.000 2.128 381 Y HA -0.118 4.432 4.550 -0.000 0.000 0.284 381 Y C 2.439 178.336 175.900 -0.005 0.000 1.154 381 Y CA 1.390 59.488 58.100 -0.003 0.000 1.149 381 Y CB -0.424 38.035 38.460 -0.001 0.000 0.976 381 Y HN 0.058 nan 8.280 nan 0.000 0.505 382 K N -0.575 119.751 120.400 -0.123 0.000 2.097 382 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 382 K C 2.213 178.727 176.600 -0.143 0.000 1.049 382 K CA 1.397 57.558 56.287 -0.210 0.000 0.933 382 K CB -0.114 32.327 32.500 -0.098 0.000 0.717 382 K HN 0.304 nan 8.250 nan 0.000 0.442 383 S N 1.304 116.963 115.700 -0.070 0.000 2.343 383 S HA -0.100 4.370 4.470 -0.000 0.000 0.219 383 S C 1.704 176.273 174.600 -0.053 0.000 1.033 383 S CA 1.151 59.323 58.200 -0.047 0.000 1.014 383 S CB -0.200 62.990 63.200 -0.016 0.000 0.915 383 S HN 0.274 nan 8.310 nan 0.000 0.435 384 L N 1.404 122.606 121.223 -0.034 0.000 2.622 384 L HA 0.014 4.354 4.340 -0.000 0.000 0.233 384 L C 2.364 179.204 176.870 -0.050 0.000 1.156 384 L CA 0.440 55.271 54.840 -0.015 0.000 0.866 384 L CB -0.447 41.638 42.059 0.043 0.000 0.980 384 L HN 0.342 nan 8.230 nan 0.000 0.448 385 Q N 0.047 119.765 119.800 -0.136 0.000 2.364 385 Q HA -0.201 4.139 4.340 -0.000 0.000 0.209 385 Q C 1.167 177.116 176.000 -0.086 0.000 0.977 385 Q CA 1.201 56.903 55.803 -0.168 0.000 0.885 385 Q CB 0.201 28.766 28.738 -0.288 0.000 0.941 385 Q HN 0.507 nan 8.270 nan 0.000 0.464 386 D N -0.604 119.758 120.400 -0.062 0.000 2.240 386 D HA -0.039 4.601 4.640 -0.000 0.000 0.206 386 D C 1.379 177.666 176.300 -0.023 0.000 0.963 386 D CA 0.536 54.512 54.000 -0.040 0.000 0.863 386 D CB 0.099 40.877 40.800 -0.037 0.000 0.973 386 D HN 0.227 nan 8.370 nan 0.000 0.501 387 I N 1.104 121.664 120.570 -0.016 0.000 2.394 387 I HA -0.163 4.007 4.170 -0.000 0.000 0.251 387 I C 2.287 178.406 176.117 0.003 0.000 1.136 387 I CA 0.704 62.002 61.300 -0.004 0.000 1.425 387 I CB -0.113 37.889 38.000 0.003 0.000 1.079 387 I HN -0.014 nan 8.210 nan 0.000 0.425 388 I N 0.471 121.043 120.570 0.005 0.000 2.233 388 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 388 I C 2.675 178.796 176.117 0.007 0.000 1.093 388 I CA 1.401 62.712 61.300 0.017 0.000 1.380 388 I CB -1.024 37.000 38.000 0.039 0.000 1.067 388 I HN 0.172 nan 8.210 nan 0.000 0.413 389 A N 0.500 123.316 122.820 -0.007 0.000 2.019 389 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 389 A C 2.125 179.706 177.584 -0.006 0.000 1.164 389 A CA 1.694 53.725 52.037 -0.009 0.000 0.644 389 A CB -0.360 18.627 19.000 -0.021 0.000 0.805 389 A HN 0.380 nan 8.150 nan 0.000 0.449 390 I N -2.089 118.478 120.570 -0.006 0.000 3.565 390 I HA 0.135 4.305 4.170 -0.000 0.000 0.287 390 I C 1.851 177.968 176.117 -0.001 0.000 1.193 390 I CA 0.690 61.987 61.300 -0.004 0.000 1.402 390 I CB 0.104 38.100 38.000 -0.007 0.000 1.284 390 I HN 0.167 nan 8.210 nan 0.000 0.454 391 L N -0.474 120.749 121.223 0.001 0.000 2.408 391 L HA 0.492 4.832 4.340 -0.000 0.000 0.215 391 L C 0.951 177.825 176.870 0.006 0.000 1.081 391 L CA 0.348 55.190 54.840 0.003 0.000 0.840 391 L CB -0.469 41.592 42.059 0.003 0.000 1.002 391 L HN 0.309 nan 8.230 nan 0.000 0.468 392 G N -0.621 108.185 108.800 0.010 0.000 2.781 392 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.683 392 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.683 392 G C 0.339 175.251 174.900 0.019 0.000 1.390 392 G CA -0.276 44.832 45.100 0.014 0.000 0.850 392 G HN -0.140 nan 8.290 nan 0.000 0.557 393 M N 0.071 119.685 119.600 0.023 0.000 2.195 393 M HA -0.109 4.371 4.480 -0.000 0.000 0.260 393 M C 1.982 178.292 176.300 0.017 0.000 1.066 393 M CA 2.505 57.820 55.300 0.024 0.000 1.089 393 M CB -1.211 31.403 32.600 0.023 0.000 1.377 393 M HN 0.770 nan 8.290 nan 0.000 0.411 394 D N 0.329 120.736 120.400 0.013 0.000 2.182 394 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 394 D C 1.767 178.072 176.300 0.009 0.000 0.986 394 D CA 1.111 55.116 54.000 0.009 0.000 0.847 394 D CB 0.116 40.920 40.800 0.007 0.000 0.942 394 D HN 0.197 nan 8.370 nan 0.000 0.467 395 E N -0.372 119.834 120.200 0.010 0.000 2.285 395 E HA -0.028 4.322 4.350 -0.000 0.000 0.194 395 E C 0.485 177.092 176.600 0.011 0.000 0.997 395 E CA -0.043 56.363 56.400 0.009 0.000 0.845 395 E CB -0.030 29.675 29.700 0.008 0.000 0.782 395 E HN 0.295 nan 8.360 nan 0.000 0.491 396 L N 1.081 122.313 121.223 0.015 0.000 2.483 396 L HA 0.018 4.358 4.340 -0.000 0.000 0.275 396 L C 1.083 177.960 176.870 0.013 0.000 1.220 396 L CA 0.402 55.252 54.840 0.017 0.000 0.833 396 L CB 0.278 42.352 42.059 0.024 0.000 1.102 396 L HN -0.061 nan 8.230 nan 0.000 0.490 397 S N 1.169 116.876 115.700 0.012 0.000 2.584 397 S HA 0.015 4.485 4.470 -0.000 0.000 0.270 397 S C 1.336 175.941 174.600 0.008 0.000 1.346 397 S CA -0.451 57.754 58.200 0.010 0.000 1.018 397 S CB 0.550 63.755 63.200 0.010 0.000 0.899 397 S HN 0.574 nan 8.310 nan 0.000 0.542 398 E N 1.742 121.945 120.200 0.006 0.000 2.086 398 E HA -0.249 4.101 4.350 -0.000 0.000 0.200 398 E C 1.870 178.472 176.600 0.004 0.000 1.012 398 E CA 1.592 57.995 56.400 0.004 0.000 0.812 398 E CB -0.341 29.361 29.700 0.003 0.000 0.743 398 E HN 0.783 nan 8.360 nan 0.000 0.453 399 Q N 0.166 119.969 119.800 0.005 0.000 2.230 399 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 399 Q C 1.509 177.513 176.000 0.008 0.000 0.963 399 Q CA 0.863 56.670 55.803 0.005 0.000 0.866 399 Q CB 0.222 28.964 28.738 0.007 0.000 0.931 399 Q HN 0.213 nan 8.270 nan 0.000 0.452 400 D N 0.515 120.922 120.400 0.012 0.000 2.103 400 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 400 D C 1.678 177.987 176.300 0.016 0.000 0.978 400 D CA 0.928 54.939 54.000 0.019 0.000 0.829 400 D CB 0.101 40.915 40.800 0.024 0.000 0.981 400 D HN 0.198 nan 8.370 nan 0.000 0.464 401 K N 0.390 120.796 120.400 0.011 0.000 2.059 401 K HA -0.190 4.130 4.320 -0.000 0.000 0.212 401 K C 2.116 178.709 176.600 -0.011 0.000 1.050 401 K CA 0.764 57.053 56.287 0.003 0.000 0.927 401 K CB -0.215 32.287 32.500 0.002 0.000 0.714 401 K HN 0.024 nan 8.250 nan 0.000 0.447 402 L N 0.924 122.141 121.223 -0.010 0.000 2.093 402 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 402 L C 2.048 178.901 176.870 -0.030 0.000 1.085 402 L CA 1.831 56.659 54.840 -0.019 0.000 0.755 402 L CB -0.526 41.526 42.059 -0.011 0.000 0.904 402 L HN 0.102 nan 8.230 nan 0.000 0.435 403 T N -1.474 113.069 114.554 -0.017 0.000 2.821 403 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 403 T C 1.911 176.581 174.700 -0.050 0.000 1.046 403 T CA 1.511 63.600 62.100 -0.017 0.000 1.139 403 T CB -0.154 68.720 68.868 0.010 0.000 0.871 403 T HN 0.171 nan 8.240 nan 0.000 0.454 404 V N 1.290 121.175 119.914 -0.049 0.000 2.453 404 V HA -0.104 4.016 4.120 -0.000 0.000 0.247 404 V C 2.407 178.365 176.094 -0.227 0.000 1.048 404 V CA 1.466 63.686 62.300 -0.133 0.000 1.049 404 V CB -0.521 31.293 31.823 -0.015 0.000 0.672 404 V HN 0.511 nan 8.190 nan 0.000 0.457 405 E N 0.026 120.146 120.200 -0.134 0.000 2.051 405 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 405 E C 2.520 179.015 176.600 -0.175 0.000 0.991 405 E CA 1.143 57.463 56.400 -0.134 0.000 0.799 405 E CB -0.170 29.486 29.700 -0.074 0.000 0.748 405 E HN 0.488 nan 8.360 nan 0.000 0.449 406 R N 0.277 120.689 120.500 -0.146 0.000 2.105 406 R HA -0.125 4.215 4.340 -0.000 0.000 0.239 406 R C 2.353 178.540 176.300 -0.188 0.000 1.135 406 R CA 1.104 57.109 56.100 -0.158 0.000 0.967 406 R CB -0.311 29.938 30.300 -0.086 0.000 0.861 406 R HN 0.118 nan 8.270 nan 0.000 0.442 407 A N 1.144 123.841 122.820 -0.205 0.000 1.933 407 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 407 A C 2.087 179.487 177.584 -0.307 0.000 1.175 407 A CA 1.173 53.071 52.037 -0.232 0.000 0.628 407 A CB -0.297 18.524 19.000 -0.299 0.000 0.814 407 A HN 0.228 nan 8.150 nan 0.000 0.444 408 R N -0.318 119.938 120.500 -0.408 0.000 2.090 408 R HA -0.046 4.293 4.340 -0.000 0.000 0.228 408 R C 2.140 178.331 176.300 -0.182 0.000 1.110 408 R CA 1.415 57.332 56.100 -0.304 0.000 0.973 408 R CB -0.209 29.919 30.300 -0.286 0.000 0.869 408 R HN 0.512 nan 8.270 nan 0.000 0.440 409 K N 0.643 120.872 120.400 -0.286 0.000 2.026 409 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 409 K C 2.056 178.455 176.600 -0.336 0.000 1.048 409 K CA 1.351 57.327 56.287 -0.520 0.000 0.929 409 K CB -0.181 31.692 32.500 -1.045 0.000 0.713 409 K HN 0.117 nan 8.250 nan 0.000 0.439 410 I N 1.492 121.951 120.570 -0.185 0.000 2.208 410 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 410 I C 2.556 178.789 176.117 0.195 0.000 1.097 410 I CA 1.388 62.744 61.300 0.092 0.000 1.363 410 I CB -0.248 37.835 38.000 0.137 0.000 1.051 410 I HN 0.268 nan 8.210 nan 0.000 0.413 411 Q N 0.255 120.116 119.800 0.102 0.000 2.096 411 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 411 Q C 2.383 178.497 176.000 0.189 0.000 0.982 411 Q CA 1.650 57.536 55.803 0.138 0.000 0.850 411 Q CB -0.069 28.735 28.738 0.110 0.000 0.901 411 Q HN 0.457 nan 8.270 nan 0.000 0.422 412 R N -0.711 119.911 120.500 0.202 0.000 2.090 412 R HA -0.071 4.269 4.340 -0.000 0.000 0.228 412 R C 2.005 178.524 176.300 0.364 0.000 1.110 412 R CA 0.758 57.045 56.100 0.312 0.000 0.973 412 R CB -0.187 30.317 30.300 0.340 0.000 0.869 412 R HN 0.158 nan 8.270 nan 0.000 0.440 413 F N 1.334 121.368 119.950 0.140 0.000 2.269 413 F HA -0.056 4.471 4.527 -0.000 0.000 0.301 413 F C 1.511 177.460 175.800 0.248 0.000 1.082 413 F CA 1.071 59.151 58.000 0.133 0.000 1.360 413 F CB -0.184 38.761 39.000 -0.092 0.000 1.041 413 F HN -0.044 nan 8.300 nan 0.000 0.512 414 L N -0.288 121.150 121.223 0.359 0.000 2.465 414 L HA -0.057 4.283 4.340 -0.000 0.000 0.224 414 L C 1.358 178.305 176.870 0.129 0.000 1.145 414 L CA 0.432 55.403 54.840 0.219 0.000 0.834 414 L CB -0.731 41.426 42.059 0.164 0.000 0.944 414 L HN 0.107 nan 8.230 nan 0.000 0.451 415 S N -0.568 115.210 115.700 0.130 0.000 2.617 415 S HA 0.406 4.876 4.470 -0.000 0.000 0.269 415 S C -0.372 174.215 174.600 -0.022 0.000 1.292 415 S CA -0.519 57.700 58.200 0.033 0.000 1.010 415 S CB 2.071 65.276 63.200 0.009 0.000 0.944 415 S HN 0.252 nan 8.310 nan 0.000 0.536 416 Q N 0.540 120.269 119.800 -0.120 0.000 2.352 416 Q HA 0.390 4.730 4.340 -0.000 0.000 0.270 416 Q C -3.079 172.792 176.000 -0.215 0.000 1.006 416 Q CA -1.948 53.794 55.803 -0.103 0.000 0.880 416 Q CB 2.334 31.078 28.738 0.010 0.000 1.392 416 Q HN 0.556 nan 8.270 nan 0.000 0.401 417 P HA 0.150 nan 4.420 nan 0.000 0.276 417 P C -0.976 176.392 177.300 0.114 0.000 1.253 417 P CA 0.004 63.065 63.100 -0.065 0.000 0.766 417 P CB 0.153 31.835 31.700 -0.031 0.000 0.845 418 F N 2.001 121.940 119.950 -0.018 0.000 2.375 418 F HA 0.315 4.842 4.527 -0.000 0.000 0.333 418 F C 1.866 177.649 175.800 -0.029 0.000 1.104 418 F CA -1.329 56.650 58.000 -0.035 0.000 1.149 418 F CB 0.157 39.136 39.000 -0.035 0.000 1.190 418 F HN 0.380 nan 8.300 nan 0.000 0.533 419 A N 2.484 125.388 122.820 0.141 0.000 1.972 419 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 419 A C 1.978 179.584 177.584 0.035 0.000 1.169 419 A CA 1.614 53.681 52.037 0.049 0.000 0.635 419 A CB -0.735 18.265 19.000 -0.000 0.000 0.810 419 A HN 0.538 nan 8.150 nan 0.000 0.446 420 V N -1.102 118.847 119.914 0.058 0.000 3.306 420 V HA 0.050 4.170 4.120 -0.000 0.000 0.264 420 V C 2.272 178.417 176.094 0.084 0.000 1.149 420 V CA 1.332 63.657 62.300 0.041 0.000 1.143 420 V CB -0.104 31.732 31.823 0.022 0.000 0.767 420 V HN 0.574 nan 8.190 nan 0.000 0.476 421 A N -0.910 122.009 122.820 0.165 0.000 2.387 421 A HA 0.145 4.465 4.320 -0.000 0.000 0.234 421 A C 1.886 179.504 177.584 0.057 0.000 1.253 421 A CA 0.282 52.461 52.037 0.237 0.000 0.894 421 A CB -0.187 18.990 19.000 0.296 0.000 0.963 421 A HN 0.501 nan 8.150 nan 0.000 0.508 422 E N 0.459 120.646 120.200 -0.022 0.000 2.118 422 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 422 E C 1.830 178.350 176.600 -0.133 0.000 0.992 422 E CA 1.918 58.287 56.400 -0.052 0.000 0.804 422 E CB -0.189 29.484 29.700 -0.046 0.000 0.741 422 E HN 0.561 nan 8.360 nan 0.000 0.458 423 V N -1.390 118.344 119.914 -0.300 0.000 2.720 423 V HA -0.182 3.938 4.120 -0.000 0.000 0.256 423 V C 1.680 177.510 176.094 -0.440 0.000 1.082 423 V CA 1.377 63.421 62.300 -0.426 0.000 1.101 423 V CB -0.843 30.628 31.823 -0.586 0.000 0.693 423 V HN 0.161 nan 8.190 nan 0.000 0.479 424 F N 1.833 121.763 119.950 -0.034 0.000 2.754 424 F HA 0.185 4.712 4.527 -0.000 0.000 0.297 424 F C 2.334 178.110 175.800 -0.039 0.000 1.122 424 F CA 0.946 58.916 58.000 -0.050 0.000 1.400 424 F CB -0.667 38.269 39.000 -0.106 0.000 1.117 424 F HN 0.355 nan 8.300 nan 0.000 0.587 425 T N -4.732 109.880 114.554 0.096 0.000 3.085 425 T HA 0.467 4.817 4.350 -0.000 0.000 0.241 425 T C 1.920 176.649 174.700 0.048 0.000 0.988 425 T CA 0.665 62.809 62.100 0.073 0.000 1.117 425 T CB 0.063 68.957 68.868 0.045 0.000 0.978 425 T HN 0.246 nan 8.240 nan 0.000 0.454 426 G N 1.766 110.576 108.800 0.016 0.000 2.175 426 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.244 426 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.244 426 G C -0.033 174.872 174.900 0.008 0.000 0.982 426 G CA 0.089 45.194 45.100 0.010 0.000 0.641 426 G HN 0.693 nan 8.290 nan 0.000 0.527 427 I N 1.800 122.375 120.570 0.008 0.000 2.377 427 I HA 0.385 4.555 4.170 -0.000 0.000 0.293 427 I C -2.060 174.056 176.117 -0.002 0.000 0.987 427 I CA -2.592 58.708 61.300 0.000 0.000 1.185 427 I CB 1.751 39.746 38.000 -0.009 0.000 1.341 427 I HN -0.188 nan 8.210 nan 0.000 0.455 428 P HA 0.025 nan 4.420 nan 0.000 0.264 428 P C 0.250 177.555 177.300 0.009 0.000 1.183 428 P CA -0.039 63.060 63.100 -0.002 0.000 0.763 428 P CB 0.420 32.117 31.700 -0.005 0.000 0.807 429 G N 2.944 111.757 108.800 0.021 0.000 2.594 429 G HA2 0.268 4.228 3.960 -0.000 0.000 0.243 429 G HA3 0.268 4.228 3.960 -0.000 0.000 0.243 429 G C -0.489 174.435 174.900 0.040 0.000 1.229 429 G CA -0.271 44.859 45.100 0.050 0.000 0.843 429 G HN 0.315 nan 8.290 nan 0.000 0.578 430 K N 0.215 120.654 120.400 0.064 0.000 2.468 430 K HA 0.415 4.735 4.320 -0.000 0.000 0.252 430 K C -1.339 175.296 176.600 0.057 0.000 0.932 430 K CA -0.664 55.651 56.287 0.046 0.000 0.794 430 K CB 2.759 35.281 32.500 0.036 0.000 1.241 430 K HN 0.383 nan 8.250 nan 0.000 0.428 431 L N 2.317 123.557 121.223 0.029 0.000 2.341 431 L HA 0.526 4.866 4.340 -0.000 0.000 0.278 431 L C -1.233 175.647 176.870 0.016 0.000 1.005 431 L CA -0.861 53.988 54.840 0.015 0.000 0.818 431 L CB 1.703 43.759 42.059 -0.005 0.000 1.259 431 L HN 0.257 nan 8.230 nan 0.000 0.418 432 V N 4.575 124.498 119.914 0.015 0.000 2.487 432 V HA 0.531 4.651 4.120 -0.000 0.000 0.298 432 V C -0.226 175.873 176.094 0.009 0.000 1.028 432 V CA -0.961 61.347 62.300 0.014 0.000 0.860 432 V CB 1.552 33.383 31.823 0.013 0.000 0.991 432 V HN 0.661 nan 8.190 nan 0.000 0.427 433 R N 2.715 123.223 120.500 0.014 0.000 2.570 433 R HA 0.134 4.474 4.340 -0.000 0.000 0.277 433 R C 1.302 177.611 176.300 0.016 0.000 1.039 433 R CA -0.176 55.933 56.100 0.016 0.000 1.065 433 R CB -0.011 30.301 30.300 0.021 0.000 0.964 433 R HN 0.813 nan 8.270 nan 0.000 0.428 434 L N 3.673 124.906 121.223 0.018 0.000 2.034 434 L HA -0.328 4.012 4.340 -0.000 0.000 0.217 434 L C 1.898 178.780 176.870 0.019 0.000 1.077 434 L CA 2.002 56.855 54.840 0.022 0.000 0.769 434 L CB -0.088 42.004 42.059 0.056 0.000 0.890 434 L HN 0.587 nan 8.230 nan 0.000 0.435 435 K N -0.569 119.851 120.400 0.034 0.000 2.097 435 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 435 K C 1.725 178.347 176.600 0.036 0.000 1.049 435 K CA 1.686 57.995 56.287 0.037 0.000 0.933 435 K CB -0.241 32.284 32.500 0.042 0.000 0.717 435 K HN 0.504 nan 8.250 nan 0.000 0.442 436 D N -0.111 120.312 120.400 0.037 0.000 2.183 436 D HA -0.077 4.563 4.640 -0.000 0.000 0.203 436 D C 1.721 178.059 176.300 0.064 0.000 0.969 436 D CA 1.097 55.127 54.000 0.051 0.000 0.842 436 D CB -0.082 40.745 40.800 0.044 0.000 0.957 436 D HN 0.152 nan 8.370 nan 0.000 0.484 437 T N 0.737 115.315 114.554 0.041 0.000 2.777 437 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 437 T C 2.295 177.062 174.700 0.110 0.000 1.040 437 T CA 0.561 62.699 62.100 0.064 0.000 1.141 437 T CB -0.135 68.719 68.868 -0.023 0.000 0.868 437 T HN -0.024 nan 8.240 nan 0.000 0.444 438 V N 1.646 121.557 119.914 -0.005 0.000 2.270 438 V HA -0.121 3.999 4.120 -0.000 0.000 0.245 438 V C 2.910 179.054 176.094 0.083 0.000 1.043 438 V CA 1.672 63.945 62.300 -0.045 0.000 1.014 438 V CB -1.227 30.502 31.823 -0.156 0.000 0.645 438 V HN 0.510 nan 8.190 nan 0.000 0.447 439 A N -0.368 122.504 122.820 0.087 0.000 1.883 439 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 439 A C 2.495 180.178 177.584 0.165 0.000 1.186 439 A CA 2.412 54.516 52.037 0.112 0.000 0.624 439 A CB -0.857 18.199 19.000 0.093 0.000 0.822 439 A HN 0.495 nan 8.150 nan 0.000 0.444 440 S N -0.894 114.918 115.700 0.186 0.000 2.359 440 S HA -0.159 4.311 4.470 -0.000 0.000 0.223 440 S C 1.623 176.369 174.600 0.244 0.000 1.039 440 S CA 1.763 60.100 58.200 0.230 0.000 1.042 440 S CB -0.548 62.808 63.200 0.260 0.000 0.915 440 S HN 0.547 nan 8.310 nan 0.000 0.439 441 F N 1.598 121.660 119.950 0.187 0.000 2.234 441 F HA 0.024 4.551 4.527 -0.000 0.000 0.299 441 F C 2.298 178.175 175.800 0.127 0.000 1.087 441 F CA 1.022 59.121 58.000 0.165 0.000 1.340 441 F CB -0.219 38.798 39.000 0.027 0.000 1.031 441 F HN 0.101 nan 8.300 nan 0.000 0.500 442 K N 0.532 121.082 120.400 0.249 0.000 2.057 442 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 442 K C 2.274 178.964 176.600 0.149 0.000 1.049 442 K CA 1.230 57.614 56.287 0.163 0.000 0.931 442 K CB -0.290 32.281 32.500 0.119 0.000 0.714 442 K HN 0.188 nan 8.250 nan 0.000 0.440 443 A N 0.642 123.572 122.820 0.183 0.000 1.902 443 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 443 A C 2.217 179.921 177.584 0.200 0.000 1.181 443 A CA 1.571 53.722 52.037 0.189 0.000 0.623 443 A CB -0.592 18.605 19.000 0.329 0.000 0.818 443 A HN 0.184 nan 8.150 nan 0.000 0.443 444 V N 0.032 120.094 119.914 0.245 0.000 2.407 444 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 444 V C 2.501 178.650 176.094 0.092 0.000 1.055 444 V CA 1.865 64.273 62.300 0.181 0.000 1.049 444 V CB -0.668 31.192 31.823 0.062 0.000 0.662 444 V HN 0.572 nan 8.190 nan 0.000 0.455 445 L N -0.439 120.846 121.223 0.103 0.000 2.201 445 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 445 L C 2.333 179.231 176.870 0.047 0.000 1.105 445 L CA 1.350 56.234 54.840 0.073 0.000 0.775 445 L CB -0.438 41.675 42.059 0.090 0.000 0.913 445 L HN 0.393 nan 8.230 nan 0.000 0.440 446 E N -0.302 119.925 120.200 0.046 0.000 2.481 446 E HA 0.029 4.379 4.350 -0.000 0.000 0.195 446 E C 1.236 177.832 176.600 -0.006 0.000 1.047 446 E CA 0.490 56.901 56.400 0.019 0.000 0.867 446 E CB 0.220 29.930 29.700 0.016 0.000 0.858 446 E HN 0.505 nan 8.360 nan 0.000 0.513 447 G N 1.780 110.579 108.800 -0.003 0.000 2.132 447 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.228 447 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.228 447 G C 0.704 175.557 174.900 -0.078 0.000 1.000 447 G CA 0.363 45.450 45.100 -0.021 0.000 0.693 447 G HN 0.195 nan 8.290 nan 0.000 0.515 448 K N -1.082 119.223 120.400 -0.157 0.000 2.365 448 K HA 0.122 4.442 4.320 -0.000 0.000 0.199 448 K C 0.466 176.689 176.600 -0.628 0.000 1.045 448 K CA 0.950 56.983 56.287 -0.423 0.000 0.962 448 K CB 0.022 32.178 32.500 -0.574 0.000 0.759 448 K HN 0.573 nan 8.250 nan 0.000 0.469 449 Y N -0.254 120.060 120.300 0.023 0.000 2.634 449 Y HA 0.148 4.698 4.550 -0.000 0.000 0.292 449 Y C 0.255 176.199 175.900 0.074 0.000 0.996 449 Y CA -0.772 57.359 58.100 0.051 0.000 1.165 449 Y CB 0.430 38.947 38.460 0.095 0.000 1.194 449 Y HN -0.059 nan 8.280 nan 0.000 0.585 450 D N 0.464 120.923 120.400 0.098 0.000 2.183 450 D HA -0.143 4.497 4.640 -0.000 0.000 0.203 450 D C 1.753 178.095 176.300 0.071 0.000 0.969 450 D CA 1.248 55.286 54.000 0.064 0.000 0.842 450 D CB -0.001 40.808 40.800 0.014 0.000 0.957 450 D HN 0.475 nan 8.370 nan 0.000 0.484 451 N N 0.797 119.535 118.700 0.065 0.000 2.459 451 N HA -0.110 4.630 4.740 -0.000 0.000 0.181 451 N C 0.664 176.215 175.510 0.068 0.000 1.046 451 N CA 0.170 53.250 53.050 0.051 0.000 0.904 451 N CB -0.335 38.169 38.487 0.027 0.000 0.964 451 N HN 0.186 nan 8.380 nan 0.000 0.444 452 I N 2.645 123.283 120.570 0.113 0.000 2.496 452 I HA 0.159 4.329 4.170 -0.000 0.000 0.285 452 I C -1.863 174.340 176.117 0.142 0.000 1.080 452 I CA -1.960 59.389 61.300 0.081 0.000 1.404 452 I CB 1.033 39.033 38.000 0.000 0.000 1.403 452 I HN 0.010 nan 8.210 nan 0.000 0.539 453 P HA 0.134 nan 4.420 nan 0.000 0.276 453 P C 0.077 177.486 177.300 0.182 0.000 1.252 453 P CA -0.316 62.848 63.100 0.107 0.000 0.802 453 P CB 0.913 32.651 31.700 0.063 0.000 1.035 454 E N -0.111 120.197 120.200 0.179 0.000 2.058 454 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 454 E C 1.818 178.583 176.600 0.275 0.000 0.997 454 E CA 1.438 57.976 56.400 0.229 0.000 0.801 454 E CB -0.474 29.295 29.700 0.115 0.000 0.746 454 E HN 0.596 nan 8.360 nan 0.000 0.450 455 H N 0.264 119.392 119.070 0.096 0.000 2.422 455 H HA -0.056 4.500 4.556 -0.000 0.000 0.298 455 H C 1.752 177.138 175.328 0.097 0.000 1.098 455 H CA 1.425 57.532 56.048 0.098 0.000 1.315 455 H CB -0.195 29.594 29.762 0.046 0.000 1.382 455 H HN 0.186 nan 8.280 nan 0.000 0.523 456 A N -0.432 122.350 122.820 -0.063 0.000 2.024 456 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 456 A C 1.837 179.183 177.584 -0.397 0.000 1.164 456 A CA 1.510 53.372 52.037 -0.293 0.000 0.643 456 A CB -0.971 17.783 19.000 -0.409 0.000 0.806 456 A HN 0.453 nan 8.150 nan 0.000 0.451 457 F N -2.679 117.176 119.950 -0.158 0.000 2.789 457 F HA 0.163 4.690 4.527 -0.000 0.000 0.300 457 F C 0.740 176.553 175.800 0.021 0.000 1.132 457 F CA -0.104 57.784 58.000 -0.186 0.000 1.404 457 F CB -0.183 38.688 39.000 -0.214 0.000 1.114 457 F HN 0.290 nan 8.300 nan 0.000 0.584 458 Y N 1.272 121.586 120.300 0.022 0.000 2.393 458 Y HA 0.346 4.896 4.550 -0.000 0.000 0.338 458 Y C 0.642 176.527 175.900 -0.025 0.000 1.029 458 Y CA -1.757 56.358 58.100 0.025 0.000 1.239 458 Y CB 0.331 38.812 38.460 0.035 0.000 1.170 458 Y HN 0.152 nan 8.280 nan 0.000 0.515 459 M N 5.155 124.403 119.600 -0.587 0.000 2.350 459 M HA -0.160 4.320 4.480 -0.000 0.000 0.190 459 M C -1.685 174.486 176.300 -0.215 0.000 0.710 459 M CA 1.207 56.206 55.300 -0.502 0.000 0.495 459 M CB -1.275 30.860 32.600 -0.776 0.000 1.136 459 M HN 0.432 nan 8.290 nan 0.000 0.901 460 V N -2.152 117.716 119.914 -0.077 0.000 3.156 460 V HA 1.087 5.207 4.120 -0.000 0.000 0.310 460 V C 0.934 177.061 176.094 0.055 0.000 1.234 460 V CA -0.398 61.890 62.300 -0.020 0.000 1.065 460 V CB 1.158 32.960 31.823 -0.035 0.000 1.088 460 V HN 0.469 nan 8.190 nan 0.000 0.451 461 G N -0.168 108.665 108.800 0.054 0.000 3.048 461 G HA2 0.519 4.479 3.960 -0.000 0.000 0.151 461 G HA3 0.519 4.479 3.960 -0.000 0.000 0.151 461 G C 0.544 175.534 174.900 0.149 0.000 1.803 461 G CA 0.092 45.235 45.100 0.071 0.000 1.047 461 G HN 1.363 nan 8.290 nan 0.000 0.513 462 G N -1.132 107.741 108.800 0.122 0.000 2.531 462 G HA2 0.341 4.301 3.960 -0.000 0.000 0.253 462 G HA3 0.341 4.301 3.960 -0.000 0.000 0.253 462 G C 0.911 175.953 174.900 0.237 0.000 1.439 462 G CA 0.036 45.248 45.100 0.186 0.000 1.056 462 G HN 0.348 nan 8.290 nan 0.000 0.555 463 I N -0.150 120.517 120.570 0.161 0.000 2.315 463 I HA -0.026 4.144 4.170 -0.000 0.000 0.248 463 I C 2.604 178.611 176.117 -0.184 0.000 1.117 463 I CA 1.367 62.610 61.300 -0.094 0.000 1.404 463 I CB -0.293 37.629 38.000 -0.130 0.000 1.071 463 I HN 0.633 nan 8.210 nan 0.000 0.419 464 E N 0.012 120.167 120.200 -0.075 0.000 2.153 464 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 464 E C 1.571 178.110 176.600 -0.101 0.000 0.988 464 E CA 1.267 57.622 56.400 -0.075 0.000 0.811 464 E CB -0.122 29.562 29.700 -0.027 0.000 0.746 464 E HN 0.512 nan 8.360 nan 0.000 0.466 465 D N 0.082 120.430 120.400 -0.087 0.000 2.144 465 D HA -0.104 4.536 4.640 -0.000 0.000 0.200 465 D C 2.039 178.226 176.300 -0.188 0.000 0.978 465 D CA 0.606 54.547 54.000 -0.098 0.000 0.833 465 D CB -0.072 40.701 40.800 -0.044 0.000 0.961 465 D HN 0.005 nan 8.370 nan 0.000 0.470 466 V N 0.528 120.260 119.914 -0.303 0.000 2.295 466 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 466 V C 2.647 178.467 176.094 -0.455 0.000 1.049 466 V CA 1.041 63.020 62.300 -0.534 0.000 1.024 466 V CB -0.533 30.726 31.823 -0.941 0.000 0.648 466 V HN 0.061 nan 8.190 nan 0.000 0.447 467 V N 0.247 119.942 119.914 -0.365 0.000 2.343 467 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 467 V C 2.686 178.685 176.094 -0.158 0.000 1.051 467 V CA 2.085 64.246 62.300 -0.231 0.000 1.036 467 V CB -0.999 30.740 31.823 -0.141 0.000 0.654 467 V HN 0.568 nan 8.190 nan 0.000 0.451 468 A N -0.669 122.066 122.820 -0.142 0.000 1.930 468 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 468 A C 2.335 179.856 177.584 -0.104 0.000 1.175 468 A CA 1.965 53.943 52.037 -0.099 0.000 0.627 468 A CB -0.421 18.531 19.000 -0.080 0.000 0.815 468 A HN 0.498 nan 8.150 nan 0.000 0.443 469 K N -0.448 119.866 120.400 -0.144 0.000 2.217 469 K HA 0.040 4.360 4.320 -0.000 0.000 0.202 469 K C 2.047 178.572 176.600 -0.125 0.000 1.051 469 K CA 0.876 57.081 56.287 -0.135 0.000 0.952 469 K CB -0.213 32.180 32.500 -0.178 0.000 0.736 469 K HN 0.392 nan 8.250 nan 0.000 0.453 470 A N 1.352 124.078 122.820 -0.157 0.000 1.897 470 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 470 A C 1.702 179.243 177.584 -0.071 0.000 1.181 470 A CA 1.298 53.260 52.037 -0.125 0.000 0.620 470 A CB -0.305 18.599 19.000 -0.160 0.000 0.821 470 A HN 0.384 nan 8.150 nan 0.000 0.443 471 E N -0.511 119.649 120.200 -0.067 0.000 2.208 471 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 471 E C 1.928 178.509 176.600 -0.031 0.000 0.988 471 E CA 1.014 57.389 56.400 -0.041 0.000 0.828 471 E CB -0.056 29.621 29.700 -0.039 0.000 0.763 471 E HN 0.605 nan 8.360 nan 0.000 0.478 472 K N 0.768 121.146 120.400 -0.037 0.000 2.167 472 K HA -0.012 4.308 4.320 -0.000 0.000 0.203 472 K C 2.005 178.599 176.600 -0.009 0.000 1.052 472 K CA 0.376 56.649 56.287 -0.023 0.000 0.956 472 K CB 0.188 32.671 32.500 -0.027 0.000 0.735 472 K HN 0.073 nan 8.250 nan 0.000 0.451 473 L N 0.252 121.469 121.223 -0.009 0.000 2.156 473 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 473 L C 2.160 179.035 176.870 0.007 0.000 1.095 473 L CA 0.674 55.522 54.840 0.012 0.000 0.770 473 L CB -0.248 41.827 42.059 0.027 0.000 0.914 473 L HN 0.176 nan 8.230 nan 0.000 0.439 474 A N 0.048 122.866 122.820 -0.003 0.000 2.248 474 A HA 0.209 4.529 4.320 -0.000 0.000 0.210 474 A C 1.224 178.807 177.584 -0.001 0.000 1.174 474 A CA 0.971 53.006 52.037 -0.003 0.000 0.750 474 A CB -0.556 18.439 19.000 -0.008 0.000 0.780 474 A HN 0.340 nan 8.150 nan 0.000 0.478 475 A N 0.000 122.820 122.820 -0.000 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.037 52.037 0.001 0.000 0.836 475 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486