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 1aa1_1_B DATA FIRST_RESID 21 DATA SEQUENCE KLTYYTPEYE TLDTDILAAF RVSPQPGVPP EEAGAAVAAE SSTGTWTTVW DATA SEQUENCE TDGLTNLDRY KGRCYHIEPV AGEENQYICY VAYPLDLFEE GSVTNMFTSI DATA SEQUENCE VGNVFGFKAL RALRLEDLRI PVAYVKTFQG PPHGIQVERD KLNKYGRPLL DATA SEQUENCE GCTIKPKLGL SAKNYGRAVY ECLRGGLDFT XDDENVNSQP FMRWRDRFLF DATA SEQUENCE CAEALYKAQA ETGEIKGHYL NATAGTCEDM MKRAVFAREL GVPIVMHDYL DATA SEQUENCE TGGFTANTTL SHYCRDNGLL LHIHRAMHAV IDRQKNHGMH FRVLAKALRL DATA SEQUENCE SGGDHIHSGT VVXXXXXERD ITLGFVDLLR DDYTEKDRSR GIYFTQSWVS DATA SEQUENCE TPGVLPVASG GIHVWHMPAL TEIFGDDSVL QFGGGTLGHP WGNAPGAVAN DATA SEQUENCE RVALEACVQA RNEGRDLARE GNTIIREATK WSPELAAACE VWK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 21 K HA 0.000 nan 4.320 nan 0.000 0.191 21 K C 0.000 176.694 176.600 0.156 0.000 0.988 21 K CA 0.000 56.376 56.287 0.149 0.000 0.838 21 K CB 0.000 32.554 32.500 0.090 0.000 1.064 22 L N 2.629 123.912 121.223 0.099 0.000 2.012 22 L HA -0.022 4.318 4.340 -0.000 0.000 0.210 22 L C 1.857 178.714 176.870 -0.022 0.000 1.073 22 L CA 2.722 57.588 54.840 0.044 0.000 0.748 22 L CB -1.340 40.731 42.059 0.021 0.000 0.891 22 L HN 0.595 nan 8.230 nan 0.000 0.431 23 T N -2.460 112.043 114.554 -0.084 0.000 2.942 23 T HA -0.114 4.236 4.350 -0.000 0.000 0.265 23 T C 1.529 175.924 174.700 -0.508 0.000 1.062 23 T CA 1.061 62.947 62.100 -0.356 0.000 1.139 23 T CB -0.250 68.260 68.868 -0.596 0.000 0.883 23 T HN 0.254 nan 8.240 nan 0.000 0.468 24 Y N -1.093 119.207 120.300 -0.001 0.000 2.481 24 Y HA 0.361 4.911 4.550 -0.000 0.000 0.258 24 Y C 0.454 176.386 175.900 0.055 0.000 1.103 24 Y CA -1.181 56.914 58.100 -0.007 0.000 1.287 24 Y CB 0.295 38.737 38.460 -0.029 0.000 1.108 24 Y HN 0.146 nan 8.280 nan 0.000 0.529 25 Y N 1.584 121.927 120.300 0.071 0.000 2.434 25 Y HA 0.422 4.972 4.550 -0.000 0.000 0.341 25 Y C -0.437 175.485 175.900 0.036 0.000 0.965 25 Y CA -1.212 56.914 58.100 0.044 0.000 1.205 25 Y CB 0.732 39.206 38.460 0.023 0.000 1.121 25 Y HN -0.146 nan 8.280 nan 0.000 0.507 26 T N 9.324 123.703 114.554 -0.292 0.000 3.401 26 T HA 0.180 4.530 4.350 -0.000 0.000 0.341 26 T C -2.005 172.579 174.700 -0.193 0.000 1.674 26 T CA -1.014 60.949 62.100 -0.228 0.000 1.600 26 T CB 0.701 69.517 68.868 -0.086 0.000 0.974 26 T HN 0.493 nan 8.240 nan 0.000 0.672 27 P HA -0.115 nan 4.420 nan 0.000 0.228 27 P C 1.137 178.440 177.300 0.004 0.000 1.151 27 P CA 0.972 63.955 63.100 -0.196 0.000 0.770 27 P CB 0.429 31.949 31.700 -0.301 0.000 0.786 28 E N -0.946 119.251 120.200 -0.005 0.000 2.472 28 E HA -0.084 4.266 4.350 -0.000 0.000 0.196 28 E C 0.269 176.897 176.600 0.047 0.000 1.033 28 E CA -0.616 55.796 56.400 0.019 0.000 0.886 28 E CB -0.988 28.708 29.700 -0.006 0.000 0.944 28 E HN 0.215 nan 8.360 nan 0.000 0.492 29 Y N 2.734 123.015 120.300 -0.033 0.000 2.620 29 Y HA 0.059 4.608 4.550 -0.000 0.000 0.330 29 Y C -0.114 175.726 175.900 -0.100 0.000 1.186 29 Y CA 0.102 58.168 58.100 -0.057 0.000 1.467 29 Y CB 0.510 38.947 38.460 -0.037 0.000 1.262 29 Y HN -0.110 nan 8.280 nan 0.000 0.550 30 E N 4.266 123.995 120.200 -0.784 0.000 2.134 30 E HA 0.171 4.521 4.350 -0.000 0.000 0.278 30 E C -0.343 175.598 176.600 -1.098 0.000 0.959 30 E CA -0.675 55.320 56.400 -0.676 0.000 0.783 30 E CB 0.797 30.257 29.700 -0.399 0.000 1.095 30 E HN 0.747 nan 8.360 nan 0.000 0.399 31 T N 1.021 115.100 114.554 -0.791 0.000 2.932 31 T HA 0.204 4.554 4.350 -0.000 0.000 0.312 31 T C 0.429 174.926 174.700 -0.339 0.000 1.071 31 T CA -0.421 61.348 62.100 -0.552 0.000 1.128 31 T CB 0.447 69.082 68.868 -0.388 0.000 0.984 31 T HN 0.251 nan 8.240 nan 0.000 0.549 32 L N 1.940 123.056 121.223 -0.178 0.000 2.360 32 L HA 0.334 4.674 4.340 -0.000 0.000 0.271 32 L C 1.131 177.955 176.870 -0.075 0.000 1.057 32 L CA -0.999 53.776 54.840 -0.108 0.000 0.803 32 L CB 0.788 42.823 42.059 -0.040 0.000 1.207 32 L HN 0.675 nan 8.230 nan 0.000 0.445 33 D N 0.073 120.435 120.400 -0.063 0.000 2.350 33 D HA -0.100 4.540 4.640 -0.000 0.000 0.216 33 D C 1.670 177.948 176.300 -0.036 0.000 0.968 33 D CA 1.275 55.246 54.000 -0.048 0.000 0.894 33 D CB 0.192 40.970 40.800 -0.036 0.000 0.909 33 D HN 0.725 nan 8.370 nan 0.000 0.520 34 T N -2.737 111.803 114.554 -0.023 0.000 3.040 34 T HA 0.047 4.397 4.350 -0.000 0.000 0.250 34 T C 0.555 175.252 174.700 -0.005 0.000 1.058 34 T CA -0.500 61.596 62.100 -0.005 0.000 0.988 34 T CB 0.539 69.414 68.868 0.012 0.000 0.993 34 T HN -0.231 nan 8.240 nan 0.000 0.519 35 D N 1.511 121.908 120.400 -0.004 0.000 2.341 35 D HA 0.409 5.049 4.640 -0.000 0.000 0.245 35 D C -0.363 175.916 176.300 -0.036 0.000 1.106 35 D CA -0.492 53.524 54.000 0.026 0.000 0.905 35 D CB 0.849 41.680 40.800 0.052 0.000 1.202 35 D HN 0.167 nan 8.370 nan 0.000 0.426 36 I N 1.854 122.422 120.570 -0.003 0.000 2.331 36 I HA 0.190 4.360 4.170 -0.000 0.000 0.292 36 I C -0.157 175.992 176.117 0.055 0.000 0.998 36 I CA -0.243 60.990 61.300 -0.113 0.000 1.267 36 I CB 0.807 38.605 38.000 -0.337 0.000 1.386 36 I HN 0.053 nan 8.210 nan 0.000 0.476 37 L N 6.160 127.298 121.223 -0.143 0.000 2.329 37 L HA 0.864 5.204 4.340 -0.000 0.000 0.279 37 L C -0.083 176.682 176.870 -0.176 0.000 1.014 37 L CA -0.751 54.013 54.840 -0.126 0.000 0.814 37 L CB 1.575 43.378 42.059 -0.427 0.000 1.257 37 L HN 0.651 nan 8.230 nan 0.000 0.424 38 A N 2.322 125.258 122.820 0.193 0.000 2.355 38 A HA 0.863 5.183 4.320 -0.000 0.000 0.317 38 A C -0.543 177.150 177.584 0.182 0.000 1.094 38 A CA -0.540 51.570 52.037 0.121 0.000 0.764 38 A CB 1.658 20.704 19.000 0.077 0.000 1.230 38 A HN 0.751 nan 8.150 nan 0.000 0.448 39 A N 2.113 124.932 122.820 -0.002 0.000 2.277 39 A HA 0.702 5.022 4.320 -0.000 0.000 0.318 39 A C -1.027 176.277 177.584 -0.466 0.000 1.339 39 A CA -0.274 51.540 52.037 -0.372 0.000 0.875 39 A CB -0.277 18.325 19.000 -0.664 0.000 1.158 39 A HN 0.603 nan 8.150 nan 0.000 0.514 40 F N 1.120 120.917 119.950 -0.256 0.000 2.422 40 F HA 0.502 5.029 4.527 0.000 0.000 0.333 40 F C 1.015 176.697 175.800 -0.196 0.000 1.095 40 F CA -0.320 57.566 58.000 -0.191 0.000 1.038 40 F CB 1.618 40.529 39.000 -0.148 0.000 1.156 40 F HN 0.573 nan 8.300 nan 0.000 0.483 41 R N 3.308 123.842 120.500 0.056 0.000 2.230 41 R HA 0.525 4.865 4.340 -0.000 0.000 0.337 41 R C -1.723 174.603 176.300 0.042 0.000 1.063 41 R CA -0.301 55.816 56.100 0.028 0.000 0.935 41 R CB 0.421 30.733 30.300 0.019 0.000 1.121 41 R HN 0.539 nan 8.270 nan 0.000 0.486 42 V N 3.376 123.321 119.914 0.052 0.000 2.407 42 V HA 0.245 4.365 4.120 -0.000 0.000 0.278 42 V C -0.048 176.097 176.094 0.084 0.000 1.037 42 V CA -0.435 61.885 62.300 0.033 0.000 0.900 42 V CB 1.704 33.533 31.823 0.011 0.000 0.983 42 V HN 0.703 nan 8.190 nan 0.000 0.459 43 S N 6.944 122.677 115.700 0.055 0.000 2.516 43 S HA 0.437 4.907 4.470 -0.000 0.000 0.268 43 S C -2.554 172.081 174.600 0.058 0.000 1.251 43 S CA -0.999 57.240 58.200 0.066 0.000 1.153 43 S CB 1.119 64.350 63.200 0.052 0.000 1.009 43 S HN 0.580 nan 8.310 nan 0.000 0.479 44 P HA 0.161 nan 4.420 nan 0.000 0.274 44 P C -0.211 177.106 177.300 0.029 0.000 1.237 44 P CA -0.574 62.553 63.100 0.045 0.000 0.793 44 P CB 0.479 32.207 31.700 0.047 0.000 0.977 45 Q N 1.851 121.653 119.800 0.002 0.000 2.421 45 Q HA 0.169 4.509 4.340 -0.000 0.000 0.255 45 Q C -1.916 174.084 176.000 -0.001 0.000 1.013 45 Q CA -1.454 54.342 55.803 -0.011 0.000 0.895 45 Q CB -0.617 28.098 28.738 -0.039 0.000 1.271 45 Q HN 0.376 nan 8.270 nan 0.000 0.460 46 P HA -0.015 nan 4.420 nan 0.000 0.264 46 P C 0.446 177.744 177.300 -0.003 0.000 1.193 46 P CA 0.816 63.919 63.100 0.004 0.000 0.763 46 P CB 0.496 32.196 31.700 0.000 0.000 0.810 47 G N 1.664 110.465 108.800 0.002 0.000 2.213 47 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.226 47 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.226 47 G C -0.182 174.711 174.900 -0.012 0.000 0.992 47 G CA -0.194 44.903 45.100 -0.005 0.000 0.632 47 G HN 0.525 nan 8.290 nan 0.000 0.511 48 V N 4.106 124.013 119.914 -0.012 0.000 2.333 48 V HA 0.473 4.593 4.120 -0.000 0.000 0.274 48 V C -1.177 174.889 176.094 -0.046 0.000 1.028 48 V CA -1.393 60.892 62.300 -0.025 0.000 0.851 48 V CB 1.333 33.145 31.823 -0.019 0.000 1.000 48 V HN 0.280 nan 8.190 nan 0.000 0.456 49 P HA 0.198 nan 4.420 nan 0.000 0.270 49 P C -2.288 174.865 177.300 -0.245 0.000 1.223 49 P CA -1.375 61.645 63.100 -0.134 0.000 0.785 49 P CB 0.556 32.186 31.700 -0.118 0.000 0.923 50 P HA -0.220 nan 4.420 nan 0.000 0.214 50 P C 1.347 178.333 177.300 -0.522 0.000 1.169 50 P CA 1.765 64.442 63.100 -0.705 0.000 0.908 50 P CB -0.098 30.987 31.700 -1.026 0.000 0.791 51 E N -0.629 119.243 120.200 -0.547 0.000 2.097 51 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 51 E C 2.030 178.374 176.600 -0.427 0.000 1.000 51 E CA 1.405 57.365 56.400 -0.733 0.000 0.804 51 E CB -0.782 28.477 29.700 -0.734 0.000 0.740 51 E HN 0.286 nan 8.360 nan 0.000 0.454 52 E N 0.411 120.459 120.200 -0.253 0.000 2.107 52 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 52 E C 1.847 178.381 176.600 -0.109 0.000 0.982 52 E CA 1.237 57.562 56.400 -0.125 0.000 0.809 52 E CB -0.374 29.285 29.700 -0.069 0.000 0.756 52 E HN 0.218 nan 8.360 nan 0.000 0.459 53 A N 0.243 122.979 122.820 -0.142 0.000 1.877 53 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 53 A C 2.492 179.987 177.584 -0.149 0.000 1.186 53 A CA 1.869 53.842 52.037 -0.107 0.000 0.620 53 A CB -1.383 17.549 19.000 -0.114 0.000 0.822 53 A HN 0.403 nan 8.150 nan 0.000 0.443 54 G N -0.635 108.051 108.800 -0.190 0.000 2.422 54 G HA2 0.010 3.970 3.960 -0.000 0.000 0.218 54 G HA3 0.010 3.970 3.960 -0.000 0.000 0.218 54 G C 1.714 176.553 174.900 -0.101 0.000 1.146 54 G CA 1.460 46.471 45.100 -0.149 0.000 0.769 54 G HN 0.816 nan 8.290 nan 0.000 0.547 55 A N 1.077 123.850 122.820 -0.077 0.000 1.930 55 A HA 0.320 4.640 4.320 -0.000 0.000 0.217 55 A C 2.794 180.283 177.584 -0.159 0.000 1.175 55 A CA 2.091 54.131 52.037 0.004 0.000 0.627 55 A CB -0.678 18.366 19.000 0.074 0.000 0.815 55 A HN 0.727 nan 8.150 nan 0.000 0.443 56 A N -0.462 122.233 122.820 -0.209 0.000 1.902 56 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 56 A C 2.214 179.484 177.584 -0.523 0.000 1.181 56 A CA 1.754 53.555 52.037 -0.393 0.000 0.623 56 A CB -0.939 17.922 19.000 -0.232 0.000 0.818 56 A HN 0.383 nan 8.150 nan 0.000 0.443 57 V N -0.068 119.608 119.914 -0.396 0.000 2.343 57 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 57 V C 3.050 178.925 176.094 -0.365 0.000 1.051 57 V CA 2.015 64.035 62.300 -0.468 0.000 1.036 57 V CB -1.292 30.199 31.823 -0.554 0.000 0.654 57 V HN 0.621 nan 8.190 nan 0.000 0.451 58 A N -0.068 122.599 122.820 -0.255 0.000 1.877 58 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 58 A C 2.429 179.855 177.584 -0.263 0.000 1.186 58 A CA 2.145 54.088 52.037 -0.156 0.000 0.620 58 A CB -0.833 18.150 19.000 -0.028 0.000 0.822 58 A HN 0.560 nan 8.150 nan 0.000 0.443 59 A N -0.493 121.948 122.820 -0.632 0.000 1.858 59 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 59 A C 1.889 179.167 177.584 -0.510 0.000 1.190 59 A CA 1.637 53.059 52.037 -1.025 0.000 0.617 59 A CB -0.499 17.665 19.000 -1.394 0.000 0.827 59 A HN 0.421 nan 8.150 nan 0.000 0.443 60 E N 0.569 120.468 120.200 -0.500 0.000 2.265 60 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 60 E C 1.868 178.363 176.600 -0.174 0.000 0.996 60 E CA 1.326 57.499 56.400 -0.380 0.000 0.832 60 E CB -0.303 29.045 29.700 -0.588 0.000 0.756 60 E HN 0.737 nan 8.360 nan 0.000 0.491 61 S N -1.089 114.551 115.700 -0.100 0.000 2.557 61 S HA 0.165 4.635 4.470 -0.000 0.000 0.223 61 S C 1.160 175.858 174.600 0.165 0.000 0.969 61 S CA 0.240 58.489 58.200 0.081 0.000 0.927 61 S CB 0.290 63.626 63.200 0.226 0.000 0.806 61 S HN 0.161 nan 8.310 nan 0.000 0.489 62 S N 1.465 117.211 115.700 0.078 0.000 3.896 62 S HA 0.337 4.807 4.470 -0.000 0.000 0.190 62 S C 1.208 175.837 174.600 0.049 0.000 1.171 62 S CA 0.384 58.654 58.200 0.115 0.000 1.368 62 S CB -0.212 63.110 63.200 0.204 0.000 1.688 62 S HN 0.405 nan 8.310 nan 0.000 0.791 63 T N 0.250 114.860 114.554 0.094 0.000 3.875 63 T HA 0.487 4.837 4.350 -0.000 0.000 0.189 63 T C 1.362 176.068 174.700 0.011 0.000 0.742 63 T CA 0.536 62.687 62.100 0.085 0.000 2.566 63 T CB -1.724 67.252 68.868 0.180 0.000 1.859 63 T HN 2.256 nan 8.240 nan 0.000 0.318 64 G N 0.712 109.543 108.800 0.051 0.000 3.295 64 G HA2 0.127 4.087 3.960 -0.000 0.000 0.627 64 G HA3 0.127 4.087 3.960 -0.000 0.000 0.627 64 G C -0.214 174.676 174.900 -0.017 0.000 0.847 64 G CA 0.004 45.066 45.100 -0.063 0.000 0.907 64 G HN 1.093 nan 8.290 nan 0.000 0.502 65 T N 3.418 117.975 114.554 0.005 0.000 2.916 65 T HA 0.537 4.887 4.350 -0.000 0.000 0.298 65 T C 1.360 176.059 174.700 -0.001 0.000 1.031 65 T CA 0.175 62.273 62.100 -0.003 0.000 0.993 65 T CB 0.483 69.296 68.868 -0.093 0.000 1.045 65 T HN 1.405 nan 8.240 nan 0.000 0.454 66 W N 3.600 124.909 121.300 0.016 0.000 2.421 66 W HA 0.128 4.788 4.660 -0.000 0.000 0.270 66 W C 0.118 176.656 176.519 0.031 0.000 1.233 66 W CA 0.624 57.988 57.345 0.032 0.000 1.226 66 W CB -0.882 28.601 29.460 0.038 0.000 1.121 66 W HN 0.610 nan 8.180 nan 0.000 0.579 67 T N 0.938 114.951 114.554 -0.902 0.000 2.903 67 T HA 0.322 4.672 4.350 -0.000 0.000 0.299 67 T C -0.485 173.933 174.700 -0.471 0.000 1.093 67 T CA -0.387 61.215 62.100 -0.832 0.000 1.002 67 T CB 1.885 69.829 68.868 -1.538 0.000 1.127 67 T HN -0.206 nan 8.240 nan 0.000 0.488 68 T N 2.886 117.274 114.554 -0.276 0.000 2.870 68 T HA 0.461 4.811 4.350 -0.000 0.000 0.300 68 T C 0.079 174.692 174.700 -0.145 0.000 0.989 68 T CA -0.373 61.633 62.100 -0.158 0.000 1.139 68 T CB 0.203 69.024 68.868 -0.079 0.000 0.920 68 T HN 0.632 nan 8.240 nan 0.000 0.537 69 V N 2.784 122.625 119.914 -0.123 0.000 2.604 69 V HA 0.460 4.580 4.120 -0.000 0.000 0.305 69 V C 1.115 177.157 176.094 -0.086 0.000 1.043 69 V CA -1.246 60.982 62.300 -0.121 0.000 0.888 69 V CB 1.439 33.131 31.823 -0.218 0.000 0.995 69 V HN 1.052 nan 8.190 nan 0.000 0.429 70 W N 2.784 124.052 121.300 -0.054 0.000 2.392 70 W HA -0.136 4.524 4.660 -0.000 0.000 0.279 70 W C 1.390 177.890 176.519 -0.031 0.000 1.225 70 W CA 1.665 58.987 57.345 -0.038 0.000 1.233 70 W CB -1.709 27.731 29.460 -0.032 0.000 1.122 70 W HN 0.770 nan 8.180 nan 0.000 0.561 71 T N -0.877 113.144 114.554 -0.887 0.000 2.881 71 T HA -0.224 4.126 4.350 -0.000 0.000 0.270 71 T C 1.162 175.661 174.700 -0.334 0.000 1.068 71 T CA 1.619 63.215 62.100 -0.841 0.000 1.131 71 T CB -0.658 67.657 68.868 -0.923 0.000 0.871 71 T HN -0.071 nan 8.240 nan 0.000 0.479 72 D N 1.932 122.198 120.400 -0.224 0.000 2.221 72 D HA -0.017 4.623 4.640 -0.000 0.000 0.204 72 D C 2.228 178.497 176.300 -0.052 0.000 0.982 72 D CA 1.202 55.133 54.000 -0.116 0.000 0.857 72 D CB -0.805 39.947 40.800 -0.079 0.000 0.934 72 D HN 0.620 nan 8.370 nan 0.000 0.475 73 G N -0.166 108.625 108.800 -0.015 0.000 2.848 73 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.208 73 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.208 73 G C 1.388 176.309 174.900 0.035 0.000 1.152 73 G CA -0.068 45.052 45.100 0.032 0.000 0.789 73 G HN 0.278 nan 8.290 nan 0.000 0.531 74 L N 0.400 121.625 121.223 0.002 0.000 2.567 74 L HA 0.219 4.559 4.340 -0.000 0.000 0.225 74 L C 0.699 177.568 176.870 -0.002 0.000 1.119 74 L CA 0.267 55.113 54.840 0.009 0.000 0.871 74 L CB -0.001 42.049 42.059 -0.016 0.000 1.036 74 L HN 0.045 nan 8.230 nan 0.000 0.459 75 T N -1.749 112.802 114.554 -0.005 0.000 2.804 75 T HA 0.238 4.588 4.350 -0.000 0.000 0.290 75 T C -0.754 173.977 174.700 0.051 0.000 1.099 75 T CA -0.600 61.515 62.100 0.025 0.000 1.011 75 T CB 1.950 70.816 68.868 -0.004 0.000 1.291 75 T HN -0.157 nan 8.240 nan 0.000 0.523 76 N N 1.169 119.932 118.700 0.105 0.000 2.707 76 N HA 0.234 4.974 4.740 -0.000 0.000 0.235 76 N C 0.302 175.891 175.510 0.131 0.000 1.028 76 N CA -0.573 52.524 53.050 0.078 0.000 0.906 76 N CB 0.117 38.633 38.487 0.048 0.000 1.131 76 N HN 0.349 nan 8.380 nan 0.000 0.509 77 L N 1.750 123.029 121.223 0.092 0.000 2.353 77 L HA -0.028 4.312 4.340 -0.000 0.000 0.220 77 L C 1.250 178.154 176.870 0.057 0.000 1.133 77 L CA 1.209 56.118 54.840 0.115 0.000 0.798 77 L CB -0.299 41.788 42.059 0.048 0.000 0.922 77 L HN 0.528 nan 8.230 nan 0.000 0.445 78 D N -1.091 119.299 120.400 -0.016 0.000 2.310 78 D HA -0.152 4.488 4.640 -0.000 0.000 0.212 78 D C 2.206 178.442 176.300 -0.107 0.000 0.965 78 D CA 0.483 54.435 54.000 -0.079 0.000 0.879 78 D CB 0.015 40.765 40.800 -0.084 0.000 0.921 78 D HN 0.304 nan 8.370 nan 0.000 0.510 79 R N -0.441 119.974 120.500 -0.141 0.000 2.236 79 R HA -0.075 4.265 4.340 -0.000 0.000 0.208 79 R C 0.768 176.735 176.300 -0.555 0.000 1.036 79 R CA 0.715 56.599 56.100 -0.359 0.000 1.001 79 R CB 0.167 30.173 30.300 -0.490 0.000 0.896 79 R HN 0.204 nan 8.270 nan 0.000 0.464 80 Y N 0.143 120.427 120.300 -0.026 0.000 2.453 80 Y HA 0.167 4.717 4.550 -0.000 0.000 0.247 80 Y C 0.059 175.962 175.900 0.004 0.000 1.124 80 Y CA -0.538 57.552 58.100 -0.018 0.000 1.243 80 Y CB 0.460 38.904 38.460 -0.027 0.000 1.213 80 Y HN -0.087 nan 8.280 nan 0.000 0.523 81 K N 0.750 121.205 120.400 0.091 0.000 2.202 81 K HA 0.512 4.832 4.320 -0.000 0.000 0.264 81 K C 0.527 177.160 176.600 0.055 0.000 1.010 81 K CA -0.316 56.037 56.287 0.110 0.000 0.940 81 K CB 0.856 33.368 32.500 0.021 0.000 0.983 81 K HN 0.085 nan 8.250 nan 0.000 0.475 82 G N 1.712 110.581 108.800 0.114 0.000 2.420 82 G HA2 0.364 4.324 3.960 -0.000 0.000 0.284 82 G HA3 0.364 4.324 3.960 -0.000 0.000 0.284 82 G C -0.974 173.893 174.900 -0.054 0.000 1.177 82 G CA -0.960 44.087 45.100 -0.088 0.000 0.841 82 G HN 0.584 nan 8.290 nan 0.000 0.527 83 R N 0.278 120.667 120.500 -0.186 0.000 2.502 83 R HA 0.307 4.647 4.340 -0.000 0.000 0.300 83 R C -1.025 175.300 176.300 0.042 0.000 0.984 83 R CA -0.590 55.444 56.100 -0.109 0.000 0.882 83 R CB 1.884 31.958 30.300 -0.377 0.000 1.180 83 R HN 0.541 nan 8.270 nan 0.000 0.444 84 C N 5.797 125.165 119.300 0.114 0.000 2.322 84 C HA 0.224 4.684 4.460 -0.000 0.000 0.343 84 C C 1.124 176.249 174.990 0.226 0.000 1.190 84 C CA -0.532 58.589 59.018 0.171 0.000 1.704 84 C CB -1.174 26.691 27.740 0.209 0.000 2.293 84 C HN 0.981 nan 8.230 nan 0.000 0.523 85 Y N 2.832 123.258 120.300 0.210 0.000 2.478 85 Y HA 0.442 4.992 4.550 -0.000 0.000 0.261 85 Y C 0.845 176.922 175.900 0.294 0.000 1.127 85 Y CA -0.007 58.212 58.100 0.198 0.000 1.288 85 Y CB -0.418 38.216 38.460 0.290 0.000 1.084 85 Y HN 0.771 nan 8.280 nan 0.000 0.530 86 H N 0.085 119.098 119.070 -0.095 0.000 3.079 86 H HA 0.582 5.138 4.556 -0.000 0.000 0.356 86 H C -1.981 173.477 175.328 0.217 0.000 1.221 86 H CA -0.974 55.101 56.048 0.046 0.000 1.185 86 H CB 2.113 31.777 29.762 -0.163 0.000 1.882 86 H HN 0.118 nan 8.280 nan 0.000 0.543 87 I N 3.387 123.730 120.570 -0.377 0.000 2.656 87 I HA 0.229 4.399 4.170 -0.000 0.000 0.292 87 I C -1.072 174.894 176.117 -0.251 0.000 1.144 87 I CA -0.599 60.608 61.300 -0.155 0.000 1.038 87 I CB 2.535 40.458 38.000 -0.127 0.000 1.244 87 I HN 0.573 nan 8.210 nan 0.000 0.420 88 E N 5.630 125.866 120.200 0.059 0.000 2.321 88 E HA 0.558 4.908 4.350 -0.000 0.000 0.278 88 E C -3.000 173.736 176.600 0.226 0.000 0.902 88 E CA -2.130 54.351 56.400 0.134 0.000 0.758 88 E CB 2.342 32.172 29.700 0.216 0.000 1.213 88 E HN 0.102 nan 8.360 nan 0.000 0.426 89 P HA -0.002 nan 4.420 nan 0.000 0.269 89 P C -0.688 176.586 177.300 -0.043 0.000 1.215 89 P CA -0.357 62.743 63.100 0.000 0.000 0.780 89 P CB 0.655 32.350 31.700 -0.008 0.000 0.898 90 V N 2.421 122.243 119.914 -0.153 0.000 2.407 90 V HA 0.404 4.524 4.120 -0.000 0.000 0.278 90 V C 0.542 176.592 176.094 -0.074 0.000 1.037 90 V CA -0.623 61.635 62.300 -0.071 0.000 0.900 90 V CB 0.769 32.550 31.823 -0.070 0.000 0.983 90 V HN 0.658 nan 8.190 nan 0.000 0.459 91 A N 4.131 126.933 122.820 -0.031 0.000 2.488 91 A HA 0.521 4.841 4.320 -0.000 0.000 0.249 91 A C 1.403 178.970 177.584 -0.028 0.000 1.083 91 A CA 0.511 52.532 52.037 -0.027 0.000 0.768 91 A CB -0.336 18.657 19.000 -0.011 0.000 1.017 91 A HN 2.161 nan 8.150 nan 0.000 0.496 92 G N 0.964 109.745 108.800 -0.032 0.000 2.225 92 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.267 92 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.267 92 G C -0.100 174.781 174.900 -0.031 0.000 1.024 92 G CA 0.862 45.947 45.100 -0.025 0.000 0.784 92 G HN 1.164 nan 8.290 nan 0.000 0.507 93 E N -0.544 119.623 120.200 -0.054 0.000 2.293 93 E HA 0.593 4.943 4.350 -0.000 0.000 0.270 93 E C -0.398 176.153 176.600 -0.082 0.000 0.879 93 E CA -1.044 55.322 56.400 -0.057 0.000 0.756 93 E CB 1.181 30.845 29.700 -0.059 0.000 1.208 93 E HN 0.148 nan 8.360 nan 0.000 0.428 94 E N 3.122 123.288 120.200 -0.058 0.000 2.180 94 E HA 0.222 4.572 4.350 -0.000 0.000 0.283 94 E C -0.695 175.862 176.600 -0.072 0.000 1.061 94 E CA 0.112 56.478 56.400 -0.057 0.000 0.861 94 E CB 0.104 29.788 29.700 -0.027 0.000 1.056 94 E HN 0.545 nan 8.360 nan 0.000 0.407 95 N N 3.461 122.097 118.700 -0.105 0.000 2.667 95 N HA -0.268 4.472 4.740 -0.000 0.000 0.263 95 N C -1.611 173.822 175.510 -0.128 0.000 1.038 95 N CA 1.124 54.120 53.050 -0.090 0.000 0.749 95 N CB -0.696 37.806 38.487 0.025 0.000 0.892 95 N HN 0.678 nan 8.380 nan 0.000 0.546 96 Q N 0.978 120.554 119.800 -0.374 0.000 2.289 96 Q HA 0.502 4.842 4.340 -0.000 0.000 0.270 96 Q C -1.520 174.185 176.000 -0.491 0.000 1.038 96 Q CA -0.697 54.959 55.803 -0.244 0.000 0.812 96 Q CB 1.102 29.770 28.738 -0.117 0.000 1.300 96 Q HN 0.313 nan 8.270 nan 0.000 0.427 97 Y N 1.753 122.051 120.300 -0.004 0.000 2.576 97 Y HA 0.516 5.066 4.550 -0.000 0.000 0.346 97 Y C -0.257 175.642 175.900 -0.002 0.000 1.018 97 Y CA -1.124 56.975 58.100 -0.002 0.000 1.050 97 Y CB 1.527 39.971 38.460 -0.026 0.000 1.280 97 Y HN 0.447 nan 8.280 nan 0.000 0.474 98 I N 2.403 123.078 120.570 0.174 0.000 2.312 98 I HA 0.251 4.421 4.170 -0.000 0.000 0.290 98 I C -0.675 175.456 176.117 0.023 0.000 1.008 98 I CA -0.532 60.799 61.300 0.051 0.000 1.226 98 I CB 0.369 38.417 38.000 0.080 0.000 1.371 98 I HN 0.572 nan 8.210 nan 0.000 0.468 99 C N 6.917 126.193 119.300 -0.040 0.000 2.329 99 C HA 0.504 4.964 4.460 -0.000 0.000 0.329 99 C C -0.088 174.848 174.990 -0.090 0.000 1.275 99 C CA -0.693 58.329 59.018 0.008 0.000 1.726 99 C CB 0.232 27.983 27.740 0.017 0.000 2.291 99 C HN 0.505 nan 8.230 nan 0.000 0.514 100 Y N 1.619 121.908 120.300 -0.018 0.000 2.328 100 Y HA 0.590 5.140 4.550 -0.000 0.000 0.337 100 Y C 0.265 176.054 175.900 -0.185 0.000 1.008 100 Y CA -0.421 57.605 58.100 -0.123 0.000 1.129 100 Y CB 0.983 39.150 38.460 -0.489 0.000 1.185 100 Y HN 0.406 nan 8.280 nan 0.000 0.476 101 V N 2.754 122.817 119.914 0.247 0.000 2.656 101 V HA 0.824 4.944 4.120 -0.000 0.000 0.307 101 V C -0.449 175.777 176.094 0.220 0.000 1.051 101 V CA -1.121 61.291 62.300 0.186 0.000 0.893 101 V CB 1.752 33.631 31.823 0.094 0.000 0.999 101 V HN 0.848 nan 8.190 nan 0.000 0.426 102 A N 3.858 126.744 122.820 0.109 0.000 2.318 102 A HA 0.875 5.195 4.320 -0.000 0.000 0.324 102 A C -1.508 175.931 177.584 -0.242 0.000 1.170 102 A CA -0.381 51.683 52.037 0.045 0.000 0.810 102 A CB 0.671 19.736 19.000 0.109 0.000 1.198 102 A HN 0.737 nan 8.150 nan 0.000 0.484 103 Y N 2.826 123.226 120.300 0.167 0.000 2.350 103 Y HA 0.458 5.008 4.550 0.000 0.000 0.338 103 Y C -2.131 173.887 175.900 0.196 0.000 0.961 103 Y CA -2.507 55.714 58.100 0.201 0.000 1.100 103 Y CB 1.904 40.596 38.460 0.387 0.000 1.179 103 Y HN 0.500 nan 8.280 nan 0.000 0.454 104 P HA -0.026 nan 4.420 nan 0.000 0.271 104 P C 0.785 178.233 177.300 0.246 0.000 1.218 104 P CA -0.257 62.938 63.100 0.158 0.000 0.780 104 P CB 1.455 33.167 31.700 0.020 0.000 0.901 105 L N 2.786 124.109 121.223 0.168 0.000 2.089 105 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 105 L C 1.450 178.443 176.870 0.205 0.000 1.079 105 L CA 2.102 57.046 54.840 0.174 0.000 0.758 105 L CB -1.334 40.777 42.059 0.086 0.000 0.891 105 L HN 0.236 nan 8.230 nan 0.000 0.433 106 D N -0.722 119.747 120.400 0.115 0.000 2.351 106 D HA -0.133 4.507 4.640 -0.000 0.000 0.216 106 D C 2.143 178.482 176.300 0.064 0.000 0.968 106 D CA 0.937 55.001 54.000 0.106 0.000 0.899 106 D CB -0.109 40.754 40.800 0.105 0.000 0.907 106 D HN 0.429 nan 8.370 nan 0.000 0.514 107 L N -0.838 120.328 121.223 -0.096 0.000 2.395 107 L HA 0.044 4.384 4.340 -0.000 0.000 0.218 107 L C 0.224 176.706 176.870 -0.648 0.000 1.130 107 L CA 0.295 54.879 54.840 -0.427 0.000 0.826 107 L CB -0.186 41.426 42.059 -0.744 0.000 0.941 107 L HN -0.119 nan 8.230 nan 0.000 0.451 108 F N -0.236 119.683 119.950 -0.051 0.000 2.450 108 F HA 0.332 4.859 4.527 -0.000 0.000 0.332 108 F C 0.639 176.477 175.800 0.063 0.000 1.093 108 F CA -1.117 56.847 58.000 -0.060 0.000 1.003 108 F CB 0.946 39.744 39.000 -0.336 0.000 1.151 108 F HN -0.178 nan 8.300 nan 0.000 0.474 109 E N 1.660 122.021 120.200 0.269 0.000 2.289 109 E HA 0.146 4.496 4.350 -0.000 0.000 0.278 109 E C -0.827 175.922 176.600 0.248 0.000 1.032 109 E CA -0.646 55.870 56.400 0.193 0.000 0.854 109 E CB 0.628 30.391 29.700 0.106 0.000 1.046 109 E HN 0.525 nan 8.360 nan 0.000 0.409 110 E N 2.327 122.605 120.200 0.130 0.000 2.465 110 E HA 0.166 4.516 4.350 -0.000 0.000 0.260 110 E C 0.904 177.273 176.600 -0.383 0.000 0.980 110 E CA 1.257 57.617 56.400 -0.066 0.000 0.927 110 E CB 0.549 30.210 29.700 -0.066 0.000 0.934 110 E HN 0.810 nan 8.360 nan 0.000 0.459 111 G N 2.589 110.751 108.800 -1.064 0.000 2.175 111 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.265 111 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.265 111 G C 0.373 174.850 174.900 -0.705 0.000 0.979 111 G CA 0.606 44.863 45.100 -1.405 0.000 0.663 111 G HN 0.534 nan 8.290 nan 0.000 0.533 112 S N -0.455 115.068 115.700 -0.294 0.000 2.532 112 S HA 0.531 5.000 4.470 -0.000 0.000 0.318 112 S C 1.499 176.215 174.600 0.192 0.000 1.083 112 S CA 0.063 58.290 58.200 0.046 0.000 1.131 112 S CB 1.238 64.474 63.200 0.061 0.000 0.973 112 S HN 0.500 nan 8.310 nan 0.000 0.468 113 V N 4.901 124.902 119.914 0.145 0.000 2.427 113 V HA -0.116 4.004 4.120 -0.000 0.000 0.248 113 V C 2.544 178.440 176.094 -0.331 0.000 1.051 113 V CA 2.337 64.477 62.300 -0.266 0.000 1.048 113 V CB -0.938 30.488 31.823 -0.662 0.000 0.666 113 V HN 0.831 nan 8.190 nan 0.000 0.456 114 T N 0.049 114.555 114.554 -0.079 0.000 2.665 114 T HA -0.258 4.092 4.350 -0.000 0.000 0.268 114 T C 1.898 176.650 174.700 0.087 0.000 1.035 114 T CA 2.003 64.139 62.100 0.061 0.000 1.151 114 T CB -0.452 68.493 68.868 0.128 0.000 0.862 114 T HN 0.565 nan 8.240 nan 0.000 0.438 115 N N 0.364 119.124 118.700 0.100 0.000 2.270 115 N HA -0.029 4.711 4.740 -0.000 0.000 0.181 115 N C 2.087 177.714 175.510 0.195 0.000 1.016 115 N CA 0.794 53.925 53.050 0.135 0.000 0.870 115 N CB -0.172 38.401 38.487 0.144 0.000 0.979 115 N HN 0.397 nan 8.380 nan 0.000 0.431 116 M N -0.184 119.532 119.600 0.194 0.000 2.086 116 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 116 M C 1.351 177.772 176.300 0.202 0.000 1.067 116 M CA 1.510 56.937 55.300 0.211 0.000 1.116 116 M CB -0.126 32.468 32.600 -0.010 0.000 1.348 116 M HN 0.018 nan 8.290 nan 0.000 0.407 117 F N 0.528 120.488 119.950 0.017 0.000 2.186 117 F HA -0.106 4.421 4.527 0.000 0.000 0.299 117 F C 2.581 178.396 175.800 0.026 0.000 1.090 117 F CA 1.550 59.544 58.000 -0.010 0.000 1.307 117 F CB -1.576 37.395 39.000 -0.049 0.000 1.019 117 F HN 0.196 nan 8.300 nan 0.000 0.489 118 T N -0.707 113.986 114.554 0.233 0.000 2.720 118 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 118 T C 2.308 177.069 174.700 0.102 0.000 1.037 118 T CA 1.807 63.991 62.100 0.139 0.000 1.144 118 T CB -0.430 68.501 68.868 0.105 0.000 0.864 118 T HN 0.150 nan 8.240 nan 0.000 0.444 119 S N 0.913 116.668 115.700 0.091 0.000 2.355 119 S HA 0.070 4.540 4.470 -0.000 0.000 0.222 119 S C 2.068 176.671 174.600 0.006 0.000 1.031 119 S CA 0.876 59.079 58.200 0.005 0.000 0.993 119 S CB -0.292 62.838 63.200 -0.117 0.000 0.859 119 S HN 0.420 nan 8.310 nan 0.000 0.453 120 I N 0.261 120.859 120.570 0.047 0.000 2.339 120 I HA 0.019 4.189 4.170 -0.000 0.000 0.245 120 I C 1.630 177.904 176.117 0.262 0.000 1.096 120 I CA 0.877 62.197 61.300 0.034 0.000 1.408 120 I CB 0.013 38.008 38.000 -0.008 0.000 1.092 120 I HN 0.108 nan 8.210 nan 0.000 0.423 121 V N 0.567 120.617 119.914 0.226 0.000 3.578 121 V HA 0.191 4.311 4.120 -0.000 0.000 0.290 121 V C 2.005 178.176 176.094 0.127 0.000 1.376 121 V CA 0.737 63.176 62.300 0.233 0.000 1.083 121 V CB 0.469 32.270 31.823 -0.036 0.000 0.911 121 V HN 0.462 nan 8.190 nan 0.000 0.433 122 G N 0.257 109.129 108.800 0.121 0.000 2.534 122 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 122 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 122 G C 1.258 176.220 174.900 0.103 0.000 1.128 122 G CA 0.996 46.147 45.100 0.086 0.000 0.784 122 G HN 0.528 nan 8.290 nan 0.000 0.542 123 N N -1.063 117.723 118.700 0.143 0.000 2.428 123 N HA -0.055 4.685 4.740 -0.000 0.000 0.249 123 N C 2.234 177.840 175.510 0.160 0.000 1.092 123 N CA 0.899 54.025 53.050 0.127 0.000 0.833 123 N CB 0.045 38.575 38.487 0.073 0.000 1.575 123 N HN 0.014 nan 8.380 nan 0.000 0.476 124 V N 0.028 120.029 119.914 0.144 0.000 2.380 124 V HA -0.167 3.953 4.120 -0.000 0.000 0.251 124 V C 1.745 177.880 176.094 0.069 0.000 1.063 124 V CA 1.505 63.819 62.300 0.022 0.000 1.055 124 V CB -1.356 30.337 31.823 -0.217 0.000 0.657 124 V HN 0.064 nan 8.190 nan 0.000 0.455 125 F N 2.463 122.436 119.950 0.038 0.000 2.373 125 F HA 0.087 4.614 4.527 0.000 0.000 0.300 125 F C 2.269 178.166 175.800 0.163 0.000 1.080 125 F CA 1.328 59.377 58.000 0.082 0.000 1.417 125 F CB -0.922 38.110 39.000 0.052 0.000 1.070 125 F HN 0.327 nan 8.300 nan 0.000 0.546 126 G N -1.891 107.076 108.800 0.278 0.000 3.233 126 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.234 126 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.234 126 G C 0.021 175.021 174.900 0.166 0.000 1.137 126 G CA -0.251 44.965 45.100 0.194 0.000 0.763 126 G HN 0.118 nan 8.290 nan 0.000 0.549 127 F N 1.953 121.905 119.950 0.003 0.000 2.541 127 F HA 0.282 4.809 4.527 -0.000 0.000 0.378 127 F C 1.523 177.304 175.800 -0.031 0.000 1.068 127 F CA -0.876 57.104 58.000 -0.034 0.000 1.199 127 F CB 1.071 40.022 39.000 -0.081 0.000 1.091 127 F HN -0.151 nan 8.300 nan 0.000 0.555 128 K N 4.271 124.325 120.400 -0.577 0.000 2.211 128 K HA -0.107 4.213 4.320 -0.000 0.000 0.204 128 K C 1.868 178.206 176.600 -0.437 0.000 1.047 128 K CA 1.092 57.113 56.287 -0.443 0.000 0.935 128 K CB -0.448 31.826 32.500 -0.376 0.000 0.728 128 K HN 0.708 nan 8.250 nan 0.000 0.452 129 A N 0.633 123.034 122.820 -0.699 0.000 2.209 129 A HA 0.052 4.372 4.320 -0.000 0.000 0.212 129 A C 0.894 178.425 177.584 -0.088 0.000 1.158 129 A CA 0.388 52.243 52.037 -0.303 0.000 0.742 129 A CB -0.136 18.765 19.000 -0.165 0.000 0.790 129 A HN 0.118 nan 8.150 nan 0.000 0.472 130 L N -1.010 120.181 121.223 -0.054 0.000 2.334 130 L HA 0.421 4.761 4.340 -0.000 0.000 0.276 130 L C 1.499 178.369 176.870 -0.001 0.000 1.014 130 L CA -0.683 54.162 54.840 0.008 0.000 0.815 130 L CB 1.689 43.771 42.059 0.038 0.000 1.268 130 L HN 0.430 nan 8.230 nan 0.000 0.428 131 R N 1.931 122.441 120.500 0.017 0.000 2.237 131 R HA 0.468 4.808 4.340 -0.000 0.000 0.195 131 R C 0.122 176.460 176.300 0.065 0.000 0.956 131 R CA 0.651 56.763 56.100 0.019 0.000 1.029 131 R CB 0.550 30.857 30.300 0.011 0.000 0.972 131 R HN 0.673 nan 8.270 nan 0.000 0.493 132 A N 0.558 123.442 122.820 0.105 0.000 2.601 132 A HA 0.624 4.944 4.320 -0.000 0.000 0.291 132 A C -2.139 175.518 177.584 0.122 0.000 1.075 132 A CA -0.743 51.440 52.037 0.242 0.000 0.671 132 A CB 1.737 20.858 19.000 0.201 0.000 1.277 132 A HN 0.155 nan 8.150 nan 0.000 0.417 133 L N 0.218 121.475 121.223 0.056 0.000 2.549 133 L HA 0.770 5.110 4.340 -0.000 0.000 0.259 133 L C -0.829 175.899 176.870 -0.237 0.000 0.934 133 L CA -0.050 54.631 54.840 -0.264 0.000 0.865 133 L CB 1.966 43.620 42.059 -0.676 0.000 1.352 133 L HN 0.874 nan 8.230 nan 0.000 0.410 134 R N 3.896 124.383 120.500 -0.022 0.000 2.574 134 R HA 0.614 4.954 4.340 -0.000 0.000 0.288 134 R C -1.850 174.548 176.300 0.163 0.000 1.004 134 R CA -0.891 55.295 56.100 0.144 0.000 0.895 134 R CB 1.774 32.138 30.300 0.107 0.000 1.191 134 R HN 0.668 nan 8.270 nan 0.000 0.444 135 L N 4.366 125.718 121.223 0.214 0.000 2.278 135 L HA 0.248 4.588 4.340 -0.000 0.000 0.287 135 L C 0.700 177.510 176.870 -0.100 0.000 1.072 135 L CA 0.546 55.344 54.840 -0.069 0.000 0.819 135 L CB 1.162 43.189 42.059 -0.054 0.000 1.176 135 L HN 0.716 nan 8.230 nan 0.000 0.435 136 E N 2.247 122.295 120.200 -0.254 0.000 2.166 136 E HA 0.107 4.457 4.350 -0.000 0.000 0.192 136 E C -0.279 176.173 176.600 -0.248 0.000 0.967 136 E CA 0.475 56.700 56.400 -0.292 0.000 0.840 136 E CB 0.462 29.757 29.700 -0.676 0.000 0.795 136 E HN 0.681 nan 8.360 nan 0.000 0.470 137 D N -1.060 119.199 120.400 -0.234 0.000 2.623 137 D HA 0.402 5.042 4.640 -0.000 0.000 0.241 137 D C -1.539 174.865 176.300 0.173 0.000 1.241 137 D CA -0.453 53.561 54.000 0.022 0.000 0.788 137 D CB 1.427 42.274 40.800 0.078 0.000 1.413 137 D HN -0.151 nan 8.370 nan 0.000 0.429 138 L N 1.341 122.663 121.223 0.165 0.000 2.431 138 L HA 0.518 4.858 4.340 -0.000 0.000 0.266 138 L C -0.315 176.462 176.870 -0.154 0.000 0.978 138 L CA -0.920 53.902 54.840 -0.030 0.000 0.822 138 L CB 2.265 44.287 42.059 -0.062 0.000 1.310 138 L HN 0.189 nan 8.230 nan 0.000 0.409 139 R N 4.197 124.383 120.500 -0.523 0.000 2.215 139 R HA 0.392 4.732 4.340 -0.000 0.000 0.337 139 R C -0.966 175.128 176.300 -0.343 0.000 1.010 139 R CA -0.663 55.160 56.100 -0.462 0.000 0.871 139 R CB 0.570 30.445 30.300 -0.708 0.000 1.134 139 R HN 0.433 nan 8.270 nan 0.000 0.477 140 I N 7.709 128.088 120.570 -0.319 0.000 2.337 140 I HA 0.253 4.423 4.170 -0.000 0.000 0.291 140 I C -1.855 174.115 176.117 -0.246 0.000 1.046 140 I CA -2.809 58.324 61.300 -0.279 0.000 1.324 140 I CB 0.935 38.740 38.000 -0.324 0.000 1.409 140 I HN 0.277 nan 8.210 nan 0.000 0.494 141 P HA 0.025 nan 4.420 nan 0.000 0.271 141 P C 1.175 178.445 177.300 -0.050 0.000 1.218 141 P CA -0.145 62.896 63.100 -0.098 0.000 0.780 141 P CB 1.357 33.020 31.700 -0.062 0.000 0.901 142 V N 0.381 120.267 119.914 -0.047 0.000 2.594 142 V HA -0.210 3.910 4.120 -0.000 0.000 0.253 142 V C 2.245 178.363 176.094 0.040 0.000 1.069 142 V CA 2.031 64.322 62.300 -0.014 0.000 1.082 142 V CB -2.111 29.710 31.823 -0.003 0.000 0.680 142 V HN 0.534 nan 8.190 nan 0.000 0.469 143 A N -0.965 121.888 122.820 0.055 0.000 2.015 143 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 143 A C 2.128 179.806 177.584 0.156 0.000 1.163 143 A CA 1.852 53.939 52.037 0.084 0.000 0.646 143 A CB -0.755 18.288 19.000 0.072 0.000 0.806 143 A HN 0.719 nan 8.150 nan 0.000 0.448 144 Y N -0.134 120.177 120.300 0.017 0.000 2.347 144 Y HA 0.009 4.559 4.550 0.000 0.000 0.294 144 Y C 2.308 178.326 175.900 0.197 0.000 1.117 144 Y CA 0.937 59.081 58.100 0.072 0.000 1.184 144 Y CB -0.145 38.320 38.460 0.009 0.000 1.047 144 Y HN 0.052 nan 8.280 nan 0.000 0.546 145 V N 0.657 120.650 119.914 0.132 0.000 2.392 145 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 145 V C 2.156 178.346 176.094 0.160 0.000 1.059 145 V CA 1.943 64.305 62.300 0.104 0.000 1.051 145 V CB -0.486 31.353 31.823 0.026 0.000 0.658 145 V HN 0.222 nan 8.190 nan 0.000 0.455 146 K N 0.573 121.031 120.400 0.096 0.000 2.515 146 K HA -0.061 4.259 4.320 -0.000 0.000 0.196 146 K C 1.970 178.578 176.600 0.012 0.000 1.038 146 K CA 1.411 57.736 56.287 0.063 0.000 0.967 146 K CB -0.643 31.883 32.500 0.044 0.000 0.780 146 K HN 0.755 nan 8.250 nan 0.000 0.483 147 T N -2.428 112.096 114.554 -0.050 0.000 3.107 147 T HA 0.151 4.501 4.350 -0.000 0.000 0.249 147 T C 0.484 174.948 174.700 -0.393 0.000 1.096 147 T CA -0.263 61.692 62.100 -0.241 0.000 1.012 147 T CB -0.167 68.480 68.868 -0.368 0.000 0.977 147 T HN -0.169 nan 8.240 nan 0.000 0.527 148 F N 1.188 121.052 119.950 -0.143 0.000 2.470 148 F HA 0.505 5.032 4.527 -0.000 0.000 0.329 148 F C 1.593 177.373 175.800 -0.033 0.000 1.072 148 F CA -1.322 56.626 58.000 -0.087 0.000 0.989 148 F CB 1.881 40.817 39.000 -0.107 0.000 1.193 148 F HN -0.124 nan 8.300 nan 0.000 0.481 149 Q N 1.726 121.644 119.800 0.196 0.000 2.137 149 Q HA 0.240 4.580 4.340 -0.000 0.000 0.198 149 Q C 0.959 177.015 176.000 0.093 0.000 0.960 149 Q CA 1.105 56.961 55.803 0.088 0.000 0.847 149 Q CB -0.004 28.769 28.738 0.058 0.000 0.915 149 Q HN 1.002 nan 8.270 nan 0.000 0.448 150 G N 0.541 109.421 108.800 0.133 0.000 2.632 150 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.224 150 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.224 150 G C -2.580 172.321 174.900 0.003 0.000 1.341 150 G CA -0.442 44.684 45.100 0.045 0.000 0.880 150 G HN 0.315 nan 8.290 nan 0.000 0.566 151 P HA 0.209 nan 4.420 nan 0.000 0.266 151 P C -1.744 175.503 177.300 -0.088 0.000 1.195 151 P CA -0.413 62.648 63.100 -0.064 0.000 0.768 151 P CB 0.439 32.094 31.700 -0.074 0.000 0.838 152 P HA -0.168 nan 4.420 nan 0.000 0.216 152 P C 0.775 177.678 177.300 -0.660 0.000 1.150 152 P CA 1.844 64.754 63.100 -0.317 0.000 0.837 152 P CB 0.062 31.626 31.700 -0.227 0.000 0.786 153 H N -3.439 115.622 119.070 -0.014 0.000 2.027 153 H HA 0.365 4.921 4.556 -0.000 0.000 0.209 153 H C 1.114 176.438 175.328 -0.006 0.000 0.903 153 H CA 1.050 57.094 56.048 -0.008 0.000 1.078 153 H CB 0.133 29.892 29.762 -0.005 0.000 1.248 153 H HN 0.059 nan 8.280 nan 0.000 0.432 154 G N 1.034 109.896 108.800 0.104 0.000 2.662 154 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.686 154 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.686 154 G C 0.811 175.751 174.900 0.067 0.000 1.271 154 G CA -0.101 45.026 45.100 0.046 0.000 0.816 154 G HN 0.202 nan 8.290 nan 0.000 0.608 155 I N 0.301 120.895 120.570 0.040 0.000 2.087 155 I HA -0.341 3.829 4.170 -0.000 0.000 0.240 155 I C 2.992 179.145 176.117 0.060 0.000 1.054 155 I CA 2.587 63.915 61.300 0.048 0.000 1.311 155 I CB -0.402 37.615 38.000 0.028 0.000 1.024 155 I HN 0.656 nan 8.210 nan 0.000 0.402 156 Q N 0.276 120.114 119.800 0.063 0.000 2.050 156 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 156 Q C 2.295 178.347 176.000 0.086 0.000 0.980 156 Q CA 1.522 57.374 55.803 0.082 0.000 0.840 156 Q CB -0.604 28.180 28.738 0.078 0.000 0.898 156 Q HN 0.382 nan 8.270 nan 0.000 0.424 157 V N 0.786 120.751 119.914 0.086 0.000 2.343 157 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 157 V C 2.226 178.358 176.094 0.064 0.000 1.051 157 V CA 2.079 64.435 62.300 0.093 0.000 1.036 157 V CB -0.604 31.301 31.823 0.136 0.000 0.654 157 V HN 0.468 nan 8.190 nan 0.000 0.451 158 E N 0.374 120.613 120.200 0.066 0.000 2.058 158 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 158 E C 2.447 179.051 176.600 0.006 0.000 0.997 158 E CA 1.469 57.893 56.400 0.040 0.000 0.801 158 E CB -0.115 29.642 29.700 0.094 0.000 0.746 158 E HN 0.503 nan 8.360 nan 0.000 0.450 159 R N 0.299 120.789 120.500 -0.016 0.000 2.081 159 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 159 R C 1.987 178.145 176.300 -0.237 0.000 1.131 159 R CA 1.520 57.520 56.100 -0.166 0.000 0.960 159 R CB -0.196 30.013 30.300 -0.152 0.000 0.856 159 R HN 0.300 nan 8.270 nan 0.000 0.436 160 D N 0.401 120.788 120.400 -0.022 0.000 2.144 160 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 160 D C 1.821 178.138 176.300 0.029 0.000 0.978 160 D CA 1.020 55.069 54.000 0.082 0.000 0.833 160 D CB 0.033 40.912 40.800 0.133 0.000 0.961 160 D HN 0.029 nan 8.370 nan 0.000 0.470 161 K N 0.458 120.858 120.400 -0.000 0.000 2.025 161 K HA 0.002 4.322 4.320 -0.000 0.000 0.207 161 K C 2.252 178.840 176.600 -0.020 0.000 1.049 161 K CA 0.463 56.744 56.287 -0.011 0.000 0.933 161 K CB -0.397 32.076 32.500 -0.046 0.000 0.714 161 K HN 0.261 nan 8.250 nan 0.000 0.438 162 L N 0.387 121.584 121.223 -0.044 0.000 2.418 162 L HA 0.050 4.390 4.340 -0.000 0.000 0.218 162 L C 0.632 177.441 176.870 -0.102 0.000 1.125 162 L CA 0.067 54.875 54.840 -0.054 0.000 0.835 162 L CB -0.549 41.489 42.059 -0.035 0.000 0.953 162 L HN 0.432 nan 8.230 nan 0.000 0.454 163 N N 1.363 119.970 118.700 -0.156 0.000 2.756 163 N HA -0.176 4.564 4.740 -0.000 0.000 0.248 163 N C -0.515 174.819 175.510 -0.293 0.000 1.062 163 N CA 0.318 53.275 53.050 -0.156 0.000 0.696 163 N CB -0.394 38.101 38.487 0.014 0.000 0.946 163 N HN 0.374 nan 8.380 nan 0.000 0.548 164 K N 1.572 121.630 120.400 -0.571 0.000 2.413 164 K HA 0.405 4.725 4.320 -0.000 0.000 0.257 164 K C -1.385 174.852 176.600 -0.606 0.000 0.946 164 K CA -0.357 55.690 56.287 -0.399 0.000 0.823 164 K CB 1.072 33.433 32.500 -0.232 0.000 1.109 164 K HN 0.117 nan 8.250 nan 0.000 0.427 165 Y N -0.549 119.758 120.300 0.010 0.000 2.576 165 Y HA 0.408 4.958 4.550 -0.000 0.000 0.346 165 Y C 1.079 176.988 175.900 0.014 0.000 1.018 165 Y CA -0.839 57.271 58.100 0.015 0.000 1.050 165 Y CB 2.422 40.891 38.460 0.015 0.000 1.280 165 Y HN 0.771 nan 8.280 nan 0.000 0.474 166 G N 1.630 110.547 108.800 0.195 0.000 2.179 166 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.257 166 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.257 166 G C -0.235 174.710 174.900 0.076 0.000 1.010 166 G CA 0.615 45.784 45.100 0.115 0.000 0.736 166 G HN 0.903 nan 8.290 nan 0.000 0.513 167 R N -2.311 118.226 120.500 0.061 0.000 2.709 167 R HA 0.588 4.928 4.340 -0.000 0.000 0.270 167 R C -3.520 172.799 176.300 0.031 0.000 1.038 167 R CA -1.832 54.294 56.100 0.044 0.000 0.872 167 R CB 0.363 30.684 30.300 0.035 0.000 1.259 167 R HN 0.017 nan 8.270 nan 0.000 0.473 168 P HA 0.134 nan 4.420 nan 0.000 0.272 168 P C -0.515 176.792 177.300 0.012 0.000 1.223 168 P CA -0.329 62.781 63.100 0.017 0.000 0.784 168 P CB 0.521 32.234 31.700 0.023 0.000 0.923 169 L N 1.872 123.102 121.223 0.013 0.000 2.421 169 L HA 0.415 4.755 4.340 -0.000 0.000 0.263 169 L C 0.199 177.107 176.870 0.063 0.000 1.122 169 L CA -0.562 54.299 54.840 0.035 0.000 0.804 169 L CB 0.172 42.321 42.059 0.151 0.000 1.150 169 L HN 0.172 nan 8.230 nan 0.000 0.457 170 L N 0.822 122.078 121.223 0.055 0.000 2.365 170 L HA 0.755 5.095 4.340 -0.000 0.000 0.273 170 L C 0.110 177.066 176.870 0.143 0.000 1.000 170 L CA -0.369 54.539 54.840 0.112 0.000 0.819 170 L CB 1.940 44.053 42.059 0.090 0.000 1.284 170 L HN 0.686 nan 8.230 nan 0.000 0.418 171 G N 0.419 109.316 108.800 0.161 0.000 2.733 171 G HA2 0.633 4.593 3.960 -0.000 0.000 0.288 171 G HA3 0.633 4.593 3.960 -0.000 0.000 0.288 171 G C -2.001 172.935 174.900 0.061 0.000 1.373 171 G CA -0.529 44.640 45.100 0.115 0.000 0.895 171 G HN 0.683 nan 8.290 nan 0.000 0.479 172 C N 0.198 119.483 119.300 -0.024 0.000 2.752 172 C HA 0.734 5.194 4.460 -0.000 0.000 0.360 172 C C -0.073 174.883 174.990 -0.058 0.000 1.081 172 C CA -0.399 58.617 59.018 -0.002 0.000 1.272 172 C CB 0.513 28.262 27.740 0.015 0.000 1.754 172 C HN 0.804 nan 8.230 nan 0.000 0.483 173 T N 7.011 121.558 114.554 -0.012 0.000 2.780 173 T HA 0.392 4.742 4.350 -0.000 0.000 0.294 173 T C 0.305 174.999 174.700 -0.009 0.000 0.949 173 T CA -0.207 61.892 62.100 -0.002 0.000 1.074 173 T CB 0.351 69.255 68.868 0.061 0.000 0.910 173 T HN 0.554 nan 8.240 nan 0.000 0.501 174 I N 4.659 125.201 120.570 -0.047 0.000 2.496 174 I HA 0.264 4.434 4.170 -0.000 0.000 0.285 174 I C 0.684 176.796 176.117 -0.007 0.000 1.080 174 I CA -0.180 61.044 61.300 -0.126 0.000 1.404 174 I CB -0.001 37.700 38.000 -0.499 0.000 1.403 174 I HN 0.643 nan 8.210 nan 0.000 0.539 175 K N 7.102 127.510 120.400 0.013 0.000 2.477 175 K HA 0.635 4.955 4.320 -0.000 0.000 0.255 175 K C -2.731 173.914 176.600 0.074 0.000 0.952 175 K CA -1.723 54.608 56.287 0.074 0.000 0.826 175 K CB 1.544 34.090 32.500 0.077 0.000 1.331 175 K HN 0.282 nan 8.250 nan 0.000 0.437 176 P HA -0.010 nan 4.420 nan 0.000 0.269 176 P C -0.082 177.318 177.300 0.168 0.000 1.209 176 P CA -0.262 62.906 63.100 0.113 0.000 0.776 176 P CB 0.854 32.612 31.700 0.098 0.000 0.876 177 K N 1.685 122.176 120.400 0.152 0.000 2.057 177 K HA -0.005 4.315 4.320 -0.000 0.000 0.206 177 K C 0.531 177.241 176.600 0.184 0.000 1.050 177 K CA 0.873 57.272 56.287 0.187 0.000 0.935 177 K CB -0.216 32.358 32.500 0.124 0.000 0.715 177 K HN 0.350 nan 8.250 nan 0.000 0.439 178 L N -0.248 121.056 121.223 0.135 0.000 2.365 178 L HA 0.435 4.775 4.340 -0.000 0.000 0.273 178 L C 0.462 177.403 176.870 0.118 0.000 1.000 178 L CA -0.151 54.762 54.840 0.121 0.000 0.819 178 L CB 2.184 44.293 42.059 0.083 0.000 1.284 178 L HN 0.590 nan 8.230 nan 0.000 0.418 179 G N 2.374 111.264 108.800 0.150 0.000 2.617 179 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.197 179 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.197 179 G C -0.069 174.959 174.900 0.214 0.000 1.017 179 G CA -0.682 44.479 45.100 0.102 0.000 0.713 179 G HN 0.326 nan 8.290 nan 0.000 0.481 180 L N 2.689 124.076 121.223 0.272 0.000 2.436 180 L HA 0.544 4.884 4.340 -0.000 0.000 0.265 180 L C 1.425 178.508 176.870 0.354 0.000 1.168 180 L CA -0.017 55.006 54.840 0.306 0.000 0.815 180 L CB 1.287 43.529 42.059 0.305 0.000 1.109 180 L HN 0.488 nan 8.230 nan 0.000 0.462 181 S N 1.058 116.926 115.700 0.281 0.000 2.603 181 S HA 0.320 4.790 4.470 -0.000 0.000 0.268 181 S C 1.066 175.625 174.600 -0.068 0.000 1.317 181 S CA -0.246 57.933 58.200 -0.035 0.000 1.012 181 S CB 1.592 64.741 63.200 -0.086 0.000 0.926 181 S HN 0.707 nan 8.310 nan 0.000 0.539 182 A N 1.775 124.493 122.820 -0.171 0.000 1.917 182 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 182 A C 2.153 179.596 177.584 -0.235 0.000 1.182 182 A CA 2.063 54.042 52.037 -0.097 0.000 0.633 182 A CB -0.942 18.082 19.000 0.041 0.000 0.819 182 A HN 0.970 nan 8.150 nan 0.000 0.448 183 K N -0.287 119.741 120.400 -0.620 0.000 2.057 183 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 183 K C 1.755 178.190 176.600 -0.275 0.000 1.050 183 K CA 1.574 57.347 56.287 -0.857 0.000 0.935 183 K CB -0.315 31.608 32.500 -0.961 0.000 0.715 183 K HN 0.658 nan 8.250 nan 0.000 0.439 184 N N -0.757 117.872 118.700 -0.117 0.000 2.244 184 N HA -0.181 4.559 4.740 -0.000 0.000 0.183 184 N C 1.595 177.155 175.510 0.083 0.000 1.016 184 N CA 0.844 53.897 53.050 0.006 0.000 0.866 184 N CB -0.103 38.418 38.487 0.057 0.000 0.980 184 N HN 0.203 nan 8.380 nan 0.000 0.430 185 Y N 1.393 121.676 120.300 -0.029 0.000 2.163 185 Y HA -0.090 4.460 4.550 -0.000 0.000 0.288 185 Y C 2.474 178.381 175.900 0.011 0.000 1.136 185 Y CA 1.700 59.811 58.100 0.019 0.000 1.147 185 Y CB -0.624 37.860 38.460 0.039 0.000 0.987 185 Y HN -0.041 nan 8.280 nan 0.000 0.509 186 G N -0.142 108.769 108.800 0.185 0.000 2.422 186 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.218 186 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.218 186 G C 1.766 176.720 174.900 0.090 0.000 1.146 186 G CA 0.853 46.028 45.100 0.124 0.000 0.769 186 G HN 0.378 nan 8.290 nan 0.000 0.547 187 R N 0.579 121.118 120.500 0.066 0.000 2.083 187 R HA -0.018 4.322 4.340 -0.000 0.000 0.237 187 R C 2.818 179.173 176.300 0.092 0.000 1.137 187 R CA 1.587 57.748 56.100 0.102 0.000 0.951 187 R CB -0.427 29.909 30.300 0.061 0.000 0.851 187 R HN 0.271 nan 8.270 nan 0.000 0.434 188 A N 0.314 123.144 122.820 0.017 0.000 1.933 188 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 188 A C 2.280 179.835 177.584 -0.049 0.000 1.175 188 A CA 1.538 53.556 52.037 -0.033 0.000 0.628 188 A CB -0.510 18.433 19.000 -0.095 0.000 0.814 188 A HN 0.243 nan 8.150 nan 0.000 0.444 189 V N -1.158 118.728 119.914 -0.046 0.000 2.295 189 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 189 V C 2.387 178.500 176.094 0.032 0.000 1.049 189 V CA 2.241 64.531 62.300 -0.017 0.000 1.024 189 V CB -1.011 30.788 31.823 -0.039 0.000 0.648 189 V HN 0.762 nan 8.190 nan 0.000 0.447 190 Y N 1.428 121.715 120.300 -0.021 0.000 2.145 190 Y HA -0.205 4.346 4.550 0.000 0.000 0.286 190 Y C 2.543 178.438 175.900 -0.007 0.000 1.145 190 Y CA 1.911 60.007 58.100 -0.007 0.000 1.148 190 Y CB -0.350 38.116 38.460 0.009 0.000 0.981 190 Y HN 0.276 nan 8.280 nan 0.000 0.507 191 E N -0.442 119.538 120.200 -0.367 0.000 2.153 191 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 191 E C 2.476 178.914 176.600 -0.270 0.000 0.988 191 E CA 1.307 57.459 56.400 -0.413 0.000 0.811 191 E CB -0.873 28.727 29.700 -0.167 0.000 0.746 191 E HN 0.550 nan 8.360 nan 0.000 0.466 192 C N 0.596 119.797 119.300 -0.165 0.000 2.462 192 C HA -0.054 4.406 4.460 -0.000 0.000 0.278 192 C C 2.873 177.788 174.990 -0.126 0.000 1.253 192 C CA 0.319 59.268 59.018 -0.116 0.000 1.713 192 C CB -1.114 26.584 27.740 -0.071 0.000 2.049 192 C HN 0.359 nan 8.230 nan 0.000 0.477 193 L N 1.331 122.484 121.223 -0.116 0.000 2.046 193 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 193 L C 2.857 179.657 176.870 -0.117 0.000 1.077 193 L CA 1.887 56.669 54.840 -0.096 0.000 0.747 193 L CB -0.792 41.240 42.059 -0.044 0.000 0.896 193 L HN 0.478 nan 8.230 nan 0.000 0.432 194 R N 0.611 120.997 120.500 -0.191 0.000 2.241 194 R HA -0.076 4.264 4.340 -0.000 0.000 0.224 194 R C 1.898 178.120 176.300 -0.130 0.000 1.101 194 R CA 1.286 57.285 56.100 -0.169 0.000 0.995 194 R CB -0.721 29.389 30.300 -0.317 0.000 0.870 194 R HN 0.274 nan 8.270 nan 0.000 0.463 195 G N -0.576 108.139 108.800 -0.142 0.000 2.813 195 G HA2 0.232 4.192 3.960 -0.000 0.000 0.209 195 G HA3 0.232 4.192 3.960 -0.000 0.000 0.209 195 G C 0.920 175.766 174.900 -0.091 0.000 1.150 195 G CA 0.286 45.319 45.100 -0.112 0.000 0.785 195 G HN 0.591 nan 8.290 nan 0.000 0.535 196 G N -0.879 107.868 108.800 -0.088 0.000 2.273 196 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.162 196 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.162 196 G C 0.287 175.133 174.900 -0.090 0.000 1.006 196 G CA -0.277 44.777 45.100 -0.078 0.000 0.704 196 G HN 0.329 nan 8.290 nan 0.000 0.487 197 L N 1.149 122.316 121.223 -0.095 0.000 2.436 197 L HA 0.389 4.729 4.340 -0.000 0.000 0.265 197 L C 1.036 177.812 176.870 -0.157 0.000 1.168 197 L CA -0.619 54.165 54.840 -0.093 0.000 0.815 197 L CB 0.577 42.601 42.059 -0.059 0.000 1.109 197 L HN -0.004 nan 8.230 nan 0.000 0.462 198 D N 0.905 121.154 120.400 -0.252 0.000 2.216 198 D HA 0.080 4.720 4.640 -0.000 0.000 0.208 198 D C -0.142 175.780 176.300 -0.630 0.000 0.960 198 D CA 1.360 55.038 54.000 -0.537 0.000 0.861 198 D CB 0.368 40.658 40.800 -0.850 0.000 0.985 198 D HN 0.144 nan 8.370 nan 0.000 0.493 199 F N 0.057 119.955 119.950 -0.087 0.000 2.603 199 F HA 0.360 4.887 4.527 -0.000 0.000 0.317 199 F C 0.624 176.235 175.800 -0.314 0.000 1.066 199 F CA -1.031 56.839 58.000 -0.216 0.000 0.941 199 F CB 1.686 40.501 39.000 -0.308 0.000 1.291 199 F HN -0.341 nan 8.300 nan 0.000 0.472 203 D N 0.499 121.000 120.400 0.168 0.000 2.368 203 D HA 0.035 4.675 4.640 -0.000 0.000 0.240 203 D C 1.635 177.909 176.300 -0.042 0.000 1.169 203 D CA -0.071 53.968 54.000 0.064 0.000 0.906 203 D CB 0.995 41.847 40.800 0.086 0.000 1.187 203 D HN 0.316 nan 8.370 nan 0.000 0.435 204 E N 2.221 122.262 120.200 -0.266 0.000 2.209 204 E HA -0.273 4.077 4.350 -0.000 0.000 0.196 204 E C 0.709 177.212 176.600 -0.162 0.000 0.993 204 E CA 1.081 57.247 56.400 -0.390 0.000 0.819 204 E CB -0.293 28.868 29.700 -0.898 0.000 0.745 204 E HN 0.413 nan 8.360 nan 0.000 0.477 205 N N 0.763 119.408 118.700 -0.092 0.000 2.409 205 N HA -0.007 4.733 4.740 -0.000 0.000 0.179 205 N C 0.135 175.653 175.510 0.013 0.000 1.032 205 N CA 0.421 53.453 53.050 -0.030 0.000 0.898 205 N CB 0.134 38.617 38.487 -0.007 0.000 0.971 205 N HN 0.008 nan 8.380 nan 0.000 0.441 206 V N 2.349 122.287 119.914 0.039 0.000 2.381 206 V HA 0.089 4.209 4.120 -0.000 0.000 0.257 206 V C 0.652 176.802 176.094 0.093 0.000 1.057 206 V CA 0.187 62.529 62.300 0.071 0.000 1.013 206 V CB -0.338 31.546 31.823 0.102 0.000 1.069 206 V HN 0.242 nan 8.190 nan 0.000 0.484 207 N N 2.514 121.265 118.700 0.084 0.000 3.048 207 N HA 0.220 4.960 4.740 -0.000 0.000 0.225 207 N C -0.035 175.555 175.510 0.134 0.000 1.103 207 N CA -0.177 52.930 53.050 0.095 0.000 1.182 207 N CB 0.585 39.097 38.487 0.043 0.000 1.553 207 N HN 0.503 nan 8.380 nan 0.000 0.584 208 S N 0.319 116.085 115.700 0.110 0.000 2.689 208 S HA 0.400 4.870 4.470 -0.000 0.000 0.274 208 S C -1.867 172.788 174.600 0.092 0.000 1.176 208 S CA -0.426 57.864 58.200 0.151 0.000 1.014 208 S CB 1.092 64.444 63.200 0.252 0.000 1.071 208 S HN 0.231 nan 8.310 nan 0.000 0.478 209 Q N 3.372 123.216 119.800 0.074 0.000 2.544 209 Q HA 0.527 4.867 4.340 -0.000 0.000 0.291 209 Q C -2.030 174.009 176.000 0.064 0.000 1.068 209 Q CA -1.841 54.001 55.803 0.066 0.000 0.785 209 Q CB 1.395 30.175 28.738 0.070 0.000 1.481 209 Q HN 0.268 nan 8.270 nan 0.000 0.430 210 P HA -0.224 nan 4.420 nan 0.000 0.217 210 P C 0.481 177.856 177.300 0.126 0.000 1.162 210 P CA 1.455 64.609 63.100 0.090 0.000 0.901 210 P CB 0.069 31.830 31.700 0.101 0.000 0.793 211 F N -1.669 118.283 119.950 0.003 0.000 2.780 211 F HA 0.243 4.770 4.527 0.000 0.000 0.299 211 F C 1.076 176.871 175.800 -0.007 0.000 1.146 211 F CA 0.529 58.529 58.000 -0.000 0.000 1.428 211 F CB 0.071 39.074 39.000 0.005 0.000 1.115 211 F HN -0.172 nan 8.300 nan 0.000 0.583 212 M N 1.327 120.897 119.600 -0.049 0.000 2.210 212 M HA 0.285 4.765 4.480 -0.000 0.000 0.235 212 M C -1.175 175.093 176.300 -0.052 0.000 0.974 212 M CA -0.563 54.670 55.300 -0.111 0.000 1.043 212 M CB 0.463 33.008 32.600 -0.092 0.000 2.331 212 M HN -0.376 nan 8.290 nan 0.000 0.452 213 R N 3.211 123.658 120.500 -0.089 0.000 2.539 213 R HA 0.165 4.505 4.340 -0.000 0.000 0.275 213 R C 1.162 177.404 176.300 -0.096 0.000 1.077 213 R CA -0.112 55.936 56.100 -0.086 0.000 1.097 213 R CB 0.378 30.573 30.300 -0.175 0.000 1.018 213 R HN 0.913 nan 8.270 nan 0.000 0.483 214 W N 4.360 125.587 121.300 -0.121 0.000 2.335 214 W HA -0.214 4.446 4.660 -0.000 0.000 0.311 214 W C 1.208 177.568 176.519 -0.265 0.000 1.213 214 W CA 0.863 58.097 57.345 -0.185 0.000 1.274 214 W CB -0.570 28.704 29.460 -0.310 0.000 1.148 214 W HN 0.579 nan 8.180 nan 0.000 0.498 215 R N 1.002 120.650 120.500 -1.420 0.000 2.081 215 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 215 R C 1.937 178.008 176.300 -0.380 0.000 1.131 215 R CA 2.213 57.557 56.100 -1.260 0.000 0.960 215 R CB -0.426 28.883 30.300 -1.652 0.000 0.856 215 R HN 0.031 nan 8.270 nan 0.000 0.436 216 D N -0.282 119.949 120.400 -0.282 0.000 2.117 216 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 216 D C 1.871 178.284 176.300 0.189 0.000 0.987 216 D CA 1.020 55.001 54.000 -0.032 0.000 0.829 216 D CB -0.198 40.607 40.800 0.008 0.000 0.961 216 D HN 0.263 nan 8.370 nan 0.000 0.460 217 R N -0.263 120.341 120.500 0.173 0.000 2.073 217 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 217 R C 2.257 178.801 176.300 0.407 0.000 1.134 217 R CA 0.981 57.238 56.100 0.262 0.000 0.952 217 R CB -0.289 30.118 30.300 0.178 0.000 0.850 217 R HN 0.013 nan 8.270 nan 0.000 0.433 218 F N 1.119 121.184 119.950 0.192 0.000 2.095 218 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 218 F C 2.269 178.144 175.800 0.125 0.000 1.104 218 F CA 1.136 59.270 58.000 0.223 0.000 1.232 218 F CB -0.927 38.339 39.000 0.444 0.000 0.987 218 F HN 0.079 nan 8.300 nan 0.000 0.475 219 L N -1.465 119.965 121.223 0.345 0.000 2.017 219 L HA -0.260 4.080 4.340 -0.000 0.000 0.208 219 L C 2.366 179.218 176.870 -0.030 0.000 1.073 219 L CA 1.530 56.429 54.840 0.099 0.000 0.745 219 L CB -0.472 41.565 42.059 -0.036 0.000 0.894 219 L HN -0.017 nan 8.230 nan 0.000 0.432 220 F N -1.136 118.868 119.950 0.089 0.000 2.206 220 F HA -0.177 4.350 4.527 0.000 0.000 0.298 220 F C 2.611 178.422 175.800 0.020 0.000 1.090 220 F CA 1.127 59.158 58.000 0.051 0.000 1.323 220 F CB -0.998 38.033 39.000 0.051 0.000 1.028 220 F HN 0.176 nan 8.300 nan 0.000 0.492 221 C N -0.199 119.202 119.300 0.168 0.000 2.425 221 C HA -0.122 4.338 4.460 -0.000 0.000 0.277 221 C C 3.112 178.051 174.990 -0.085 0.000 1.280 221 C CA 1.007 59.997 59.018 -0.046 0.000 1.744 221 C CB -1.522 26.053 27.740 -0.275 0.000 1.989 221 C HN 0.510 nan 8.230 nan 0.000 0.491 222 A N 0.119 122.904 122.820 -0.059 0.000 1.877 222 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 222 A C 2.162 179.719 177.584 -0.045 0.000 1.186 222 A CA 1.855 53.808 52.037 -0.139 0.000 0.620 222 A CB -0.689 18.284 19.000 -0.044 0.000 0.822 222 A HN 0.700 nan 8.150 nan 0.000 0.443 223 E N -0.122 120.118 120.200 0.067 0.000 2.077 223 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 223 E C 2.174 178.822 176.600 0.080 0.000 0.989 223 E CA 1.075 57.542 56.400 0.112 0.000 0.800 223 E CB -0.241 29.520 29.700 0.102 0.000 0.746 223 E HN 0.534 nan 8.360 nan 0.000 0.452 224 A N 1.318 124.179 122.820 0.069 0.000 1.877 224 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 224 A C 2.235 179.877 177.584 0.097 0.000 1.186 224 A CA 1.746 53.837 52.037 0.092 0.000 0.620 224 A CB -0.823 18.249 19.000 0.121 0.000 0.822 224 A HN 0.402 nan 8.150 nan 0.000 0.443 225 L N -3.202 118.009 121.223 -0.021 0.000 2.141 225 L HA -0.072 4.268 4.340 -0.000 0.000 0.209 225 L C 2.213 179.049 176.870 -0.058 0.000 1.094 225 L CA 1.841 56.639 54.840 -0.070 0.000 0.763 225 L CB -1.129 40.826 42.059 -0.174 0.000 0.908 225 L HN 0.264 nan 8.230 nan 0.000 0.437 226 Y N 0.666 120.993 120.300 0.046 0.000 2.314 226 Y HA -0.080 4.471 4.550 0.000 0.000 0.293 226 Y C 2.756 178.676 175.900 0.033 0.000 1.129 226 Y CA 1.380 59.497 58.100 0.028 0.000 1.201 226 Y CB -0.555 37.909 38.460 0.007 0.000 0.999 226 Y HN 0.324 nan 8.280 nan 0.000 0.541 227 K N 0.148 120.650 120.400 0.170 0.000 2.057 227 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 227 K C 2.274 178.988 176.600 0.192 0.000 1.050 227 K CA 1.105 57.445 56.287 0.088 0.000 0.935 227 K CB -0.208 32.220 32.500 -0.120 0.000 0.715 227 K HN 0.199 nan 8.250 nan 0.000 0.439 228 A N 1.201 124.194 122.820 0.288 0.000 1.902 228 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 228 A C 2.101 179.767 177.584 0.136 0.000 1.181 228 A CA 1.680 53.877 52.037 0.267 0.000 0.623 228 A CB -0.647 18.464 19.000 0.185 0.000 0.818 228 A HN 0.571 nan 8.150 nan 0.000 0.443 229 Q N -0.586 119.284 119.800 0.117 0.000 2.084 229 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 229 Q C 2.160 178.214 176.000 0.090 0.000 0.978 229 Q CA 1.567 57.424 55.803 0.091 0.000 0.844 229 Q CB -0.337 28.472 28.738 0.120 0.000 0.898 229 Q HN 0.603 nan 8.270 nan 0.000 0.426 230 A N 0.726 123.611 122.820 0.108 0.000 1.898 230 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 230 A C 1.896 179.521 177.584 0.070 0.000 1.181 230 A CA 1.603 53.687 52.037 0.078 0.000 0.620 230 A CB -0.647 18.395 19.000 0.070 0.000 0.819 230 A HN 0.622 nan 8.150 nan 0.000 0.442 231 E N -0.406 119.850 120.200 0.094 0.000 2.028 231 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 231 E C 2.113 178.749 176.600 0.060 0.000 0.988 231 E CA 1.990 58.444 56.400 0.090 0.000 0.799 231 E CB -0.138 29.651 29.700 0.148 0.000 0.755 231 E HN 0.715 nan 8.360 nan 0.000 0.447 232 T N -3.657 110.928 114.554 0.051 0.000 3.035 232 T HA 0.194 4.544 4.350 -0.000 0.000 0.259 232 T C 1.571 176.283 174.700 0.020 0.000 1.078 232 T CA 0.913 63.028 62.100 0.026 0.000 1.132 232 T CB 0.347 69.219 68.868 0.008 0.000 0.900 232 T HN 0.399 nan 8.240 nan 0.000 0.480 233 G N 0.991 109.807 108.800 0.027 0.000 2.176 233 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.253 233 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.253 233 G C -0.220 174.688 174.900 0.013 0.000 0.979 233 G CA 0.143 45.257 45.100 0.022 0.000 0.641 233 G HN 0.669 nan 8.290 nan 0.000 0.530 234 E N -0.172 120.030 120.200 0.003 0.000 2.191 234 E HA 0.575 4.925 4.350 -0.000 0.000 0.274 234 E C 0.457 177.044 176.600 -0.022 0.000 0.948 234 E CA -0.983 55.406 56.400 -0.018 0.000 0.802 234 E CB 1.633 31.309 29.700 -0.041 0.000 1.137 234 E HN 0.326 nan 8.360 nan 0.000 0.397 235 I N 3.226 123.777 120.570 -0.032 0.000 2.710 235 I HA -0.016 4.154 4.170 -0.000 0.000 0.286 235 I C 0.398 176.470 176.117 -0.075 0.000 1.181 235 I CA 0.502 61.786 61.300 -0.026 0.000 1.430 235 I CB 0.095 38.083 38.000 -0.020 0.000 1.367 235 I HN 0.182 nan 8.210 nan 0.000 0.577 236 K N 4.434 124.808 120.400 -0.042 0.000 2.395 236 K HA 0.788 5.108 4.320 -0.000 0.000 0.247 236 K C -0.314 176.289 176.600 0.004 0.000 0.973 236 K CA -0.730 55.516 56.287 -0.069 0.000 0.828 236 K CB 2.254 34.729 32.500 -0.042 0.000 1.272 236 K HN 0.783 nan 8.250 nan 0.000 0.439 237 G N 0.164 109.019 108.800 0.091 0.000 2.690 237 G HA2 0.404 4.364 3.960 -0.000 0.000 0.291 237 G HA3 0.404 4.364 3.960 -0.000 0.000 0.291 237 G C -1.877 173.168 174.900 0.241 0.000 1.403 237 G CA -0.277 44.968 45.100 0.243 0.000 0.864 237 G HN 0.548 nan 8.290 nan 0.000 0.480 238 H N 0.599 119.694 119.070 0.042 0.000 2.840 238 H HA 0.303 4.859 4.556 0.000 0.000 0.340 238 H C -1.067 174.250 175.328 -0.019 0.000 1.004 238 H CA -0.558 55.447 56.048 -0.073 0.000 1.288 238 H CB 1.328 31.048 29.762 -0.070 0.000 1.607 238 H HN 0.368 nan 8.280 nan 0.000 0.522 239 Y N 5.678 125.718 120.300 -0.434 0.000 2.730 239 Y HA 0.084 4.634 4.550 -0.000 0.000 0.357 239 Y C 0.630 176.410 175.900 -0.201 0.000 1.167 239 Y CA -0.519 57.388 58.100 -0.322 0.000 1.579 239 Y CB -0.605 37.605 38.460 -0.417 0.000 1.262 239 Y HN 0.347 nan 8.280 nan 0.000 0.510 240 L N 3.929 125.172 121.223 0.032 0.000 2.325 240 L HA 0.162 4.502 4.340 -0.000 0.000 0.284 240 L C 0.707 177.600 176.870 0.039 0.000 1.089 240 L CA 0.012 54.789 54.840 -0.105 0.000 0.836 240 L CB 0.206 41.828 42.059 -0.728 0.000 1.184 240 L HN 0.603 nan 8.230 nan 0.000 0.444 241 N N 2.270 121.089 118.700 0.198 0.000 2.438 241 N HA 0.143 4.883 4.740 -0.000 0.000 0.267 241 N C 0.657 176.351 175.510 0.306 0.000 1.222 241 N CA -0.051 53.138 53.050 0.232 0.000 0.930 241 N CB 0.905 39.512 38.487 0.201 0.000 1.083 241 N HN 0.774 nan 8.380 nan 0.000 0.476 242 A N 2.869 125.825 122.820 0.227 0.000 2.348 242 A HA 0.094 4.414 4.320 -0.000 0.000 0.224 242 A C 0.633 178.263 177.584 0.076 0.000 1.227 242 A CA -0.151 51.972 52.037 0.143 0.000 0.885 242 A CB 0.102 19.154 19.000 0.086 0.000 0.933 242 A HN 0.592 nan 8.150 nan 0.000 0.506 243 T N 1.794 116.448 114.554 0.166 0.000 2.905 243 T HA 0.433 4.783 4.350 -0.000 0.000 0.299 243 T C 0.267 174.989 174.700 0.035 0.000 1.024 243 T CA 0.988 63.190 62.100 0.171 0.000 1.151 243 T CB 0.671 69.583 68.868 0.073 0.000 0.987 243 T HN 0.765 nan 8.240 nan 0.000 0.535 244 A N 2.297 125.128 122.820 0.018 0.000 2.568 244 A HA 0.805 5.125 4.320 -0.000 0.000 0.291 244 A C 1.300 178.869 177.584 -0.026 0.000 1.159 244 A CA -0.278 51.731 52.037 -0.047 0.000 0.679 244 A CB 0.554 19.475 19.000 -0.132 0.000 1.285 244 A HN 0.761 nan 8.150 nan 0.000 0.428 245 G N -0.807 107.970 108.800 -0.038 0.000 2.448 245 G HA2 0.335 4.295 3.960 -0.000 0.000 0.218 245 G HA3 0.335 4.295 3.960 -0.000 0.000 0.218 245 G C 0.723 175.609 174.900 -0.023 0.000 1.135 245 G CA 1.874 46.960 45.100 -0.024 0.000 0.784 245 G HN 1.618 nan 8.290 nan 0.000 0.543 246 T N -4.308 110.224 114.554 -0.038 0.000 2.887 246 T HA 0.310 4.660 4.350 -0.000 0.000 0.292 246 T C 0.958 175.626 174.700 -0.053 0.000 1.087 246 T CA -0.167 61.912 62.100 -0.035 0.000 1.009 246 T CB 1.394 70.241 68.868 -0.034 0.000 1.203 246 T HN -0.075 nan 8.240 nan 0.000 0.518 247 C N 0.530 119.802 119.300 -0.046 0.000 2.425 247 C HA 0.000 4.460 4.460 -0.000 0.000 0.277 247 C C 2.656 177.592 174.990 -0.089 0.000 1.280 247 C CA 0.885 59.864 59.018 -0.065 0.000 1.744 247 C CB -1.370 26.343 27.740 -0.045 0.000 1.989 247 C HN 1.018 nan 8.230 nan 0.000 0.491 248 E N 1.382 121.538 120.200 -0.072 0.000 2.058 248 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 248 E C 1.685 178.215 176.600 -0.116 0.000 0.997 248 E CA 1.486 57.840 56.400 -0.078 0.000 0.801 248 E CB -0.340 29.330 29.700 -0.050 0.000 0.746 248 E HN 0.542 nan 8.360 nan 0.000 0.450 249 D N -0.202 120.124 120.400 -0.124 0.000 2.117 249 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 249 D C 1.853 177.983 176.300 -0.284 0.000 0.982 249 D CA 0.826 54.712 54.000 -0.191 0.000 0.828 249 D CB -0.224 40.477 40.800 -0.164 0.000 0.967 249 D HN 0.166 nan 8.370 nan 0.000 0.464 250 M N -0.345 119.125 119.600 -0.217 0.000 2.117 250 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 250 M C 1.690 177.832 176.300 -0.264 0.000 1.065 250 M CA 1.234 56.398 55.300 -0.226 0.000 1.114 250 M CB 0.053 32.550 32.600 -0.172 0.000 1.361 250 M HN -0.096 nan 8.290 nan 0.000 0.408 251 M N 0.322 119.774 119.600 -0.247 0.000 2.175 251 M HA -0.157 4.323 4.480 -0.000 0.000 0.264 251 M C 1.907 178.046 176.300 -0.270 0.000 1.063 251 M CA 1.676 56.797 55.300 -0.299 0.000 1.119 251 M CB -1.154 31.303 32.600 -0.239 0.000 1.377 251 M HN 0.281 nan 8.290 nan 0.000 0.415 252 K N -0.224 120.040 120.400 -0.226 0.000 2.103 252 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 252 K C 2.134 178.599 176.600 -0.226 0.000 1.048 252 K CA 1.280 57.468 56.287 -0.164 0.000 0.930 252 K CB -0.060 32.353 32.500 -0.144 0.000 0.716 252 K HN 0.326 nan 8.250 nan 0.000 0.444 253 R N 0.065 120.250 120.500 -0.525 0.000 2.073 253 R HA -0.027 4.312 4.340 -0.000 0.000 0.229 253 R C 2.373 178.736 176.300 0.105 0.000 1.120 253 R CA 1.127 56.882 56.100 -0.575 0.000 0.967 253 R CB -0.286 29.534 30.300 -0.802 0.000 0.862 253 R HN 0.152 nan 8.270 nan 0.000 0.436 254 A N 0.808 123.610 122.820 -0.029 0.000 1.902 254 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 254 A C 2.340 179.995 177.584 0.120 0.000 1.181 254 A CA 1.282 53.330 52.037 0.019 0.000 0.623 254 A CB -0.515 18.326 19.000 -0.266 0.000 0.818 254 A HN 0.108 nan 8.150 nan 0.000 0.443 255 V N -1.262 118.671 119.914 0.033 0.000 2.343 255 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 255 V C 2.267 178.571 176.094 0.351 0.000 1.051 255 V CA 2.075 64.496 62.300 0.201 0.000 1.036 255 V CB -0.873 31.026 31.823 0.125 0.000 0.654 255 V HN 0.622 nan 8.190 nan 0.000 0.451 256 F N 1.435 121.539 119.950 0.257 0.000 2.186 256 F HA -0.041 4.486 4.527 -0.000 0.000 0.299 256 F C 2.245 178.264 175.800 0.365 0.000 1.090 256 F CA 0.896 59.096 58.000 0.335 0.000 1.307 256 F CB -0.695 38.592 39.000 0.477 0.000 1.019 256 F HN 0.086 nan 8.300 nan 0.000 0.489 257 A N 0.609 123.642 122.820 0.355 0.000 1.902 257 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 257 A C 2.467 180.101 177.584 0.083 0.000 1.181 257 A CA 1.443 53.567 52.037 0.144 0.000 0.623 257 A CB -0.723 18.375 19.000 0.162 0.000 0.818 257 A HN 0.285 nan 8.150 nan 0.000 0.443 258 R N -0.051 120.554 120.500 0.175 0.000 2.073 258 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 258 R C 2.124 178.483 176.300 0.099 0.000 1.134 258 R CA 1.913 58.107 56.100 0.158 0.000 0.952 258 R CB -0.612 29.837 30.300 0.249 0.000 0.850 258 R HN 0.784 nan 8.270 nan 0.000 0.433 259 E N 0.284 120.547 120.200 0.105 0.000 2.118 259 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 259 E C 1.980 178.568 176.600 -0.019 0.000 0.992 259 E CA 1.045 57.489 56.400 0.072 0.000 0.804 259 E CB -0.061 29.741 29.700 0.170 0.000 0.741 259 E HN 0.319 nan 8.360 nan 0.000 0.458 260 L N -0.576 120.565 121.223 -0.137 0.000 2.465 260 L HA 0.046 4.386 4.340 -0.000 0.000 0.224 260 L C 1.587 178.498 176.870 0.069 0.000 1.145 260 L CA 0.554 55.334 54.840 -0.100 0.000 0.834 260 L CB -0.110 41.812 42.059 -0.228 0.000 0.944 260 L HN 0.421 nan 8.230 nan 0.000 0.451 261 G N 0.522 109.359 108.800 0.062 0.000 2.153 261 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 261 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 261 G C 0.391 175.376 174.900 0.140 0.000 0.994 261 G CA 0.292 45.454 45.100 0.105 0.000 0.698 261 G HN 0.278 nan 8.290 nan 0.000 0.521 262 V N -2.143 117.817 119.914 0.076 0.000 3.003 262 V HA 0.706 4.826 4.120 -0.000 0.000 0.305 262 V C 0.055 176.165 176.094 0.028 0.000 1.078 262 V CA -0.821 61.490 62.300 0.017 0.000 1.083 262 V CB 1.242 33.017 31.823 -0.081 0.000 1.039 262 V HN 0.085 nan 8.190 nan 0.000 0.481 263 P HA 0.269 nan 4.420 nan 0.000 0.235 263 P C 0.101 177.409 177.300 0.013 0.000 1.177 263 P CA 0.690 63.807 63.100 0.028 0.000 0.785 263 P CB 0.608 32.344 31.700 0.060 0.000 0.885 264 I N 0.077 120.661 120.570 0.022 0.000 2.752 264 I HA 0.321 4.491 4.170 -0.000 0.000 0.295 264 I C -1.136 174.979 176.117 -0.002 0.000 1.219 264 I CA -1.290 60.004 61.300 -0.010 0.000 1.030 264 I CB 2.547 40.525 38.000 -0.036 0.000 1.259 264 I HN -0.287 nan 8.210 nan 0.000 0.423 265 V N 4.185 124.091 119.914 -0.013 0.000 3.158 265 V HA 0.724 4.844 4.120 -0.000 0.000 0.315 265 V C -0.716 175.389 176.094 0.019 0.000 1.148 265 V CA -0.775 61.534 62.300 0.014 0.000 1.042 265 V CB 1.906 33.763 31.823 0.056 0.000 1.101 265 V HN 0.911 nan 8.190 nan 0.000 0.448 266 M N 1.640 121.290 119.600 0.083 0.000 2.572 266 M HA 0.742 5.222 4.480 -0.000 0.000 0.299 266 M C -1.865 174.557 176.300 0.203 0.000 1.205 266 M CA -0.409 54.972 55.300 0.135 0.000 0.876 266 M CB 2.244 34.952 32.600 0.180 0.000 1.728 266 M HN 1.151 nan 8.290 nan 0.000 0.458 267 H N 0.974 120.083 119.070 0.065 0.000 2.954 267 H HA 0.428 4.984 4.556 0.000 0.000 0.361 267 H C -1.927 173.454 175.328 0.089 0.000 1.122 267 H CA -0.533 55.547 56.048 0.054 0.000 1.217 267 H CB 1.647 31.425 29.762 0.028 0.000 1.776 267 H HN 0.666 nan 8.280 nan 0.000 0.533 268 D N 4.921 125.081 120.400 -0.399 0.000 2.468 268 D HA 0.003 4.643 4.640 -0.000 0.000 0.218 268 D C 0.817 176.821 176.300 -0.493 0.000 1.155 268 D CA -0.195 53.653 54.000 -0.253 0.000 0.924 268 D CB -0.130 40.555 40.800 -0.191 0.000 1.029 268 D HN 0.605 nan 8.370 nan 0.000 0.515 269 Y N 1.170 121.189 120.300 -0.467 0.000 2.333 269 Y HA -0.121 4.429 4.550 0.000 0.000 0.290 269 Y C 1.262 176.901 175.900 -0.435 0.000 1.144 269 Y CA 1.017 58.866 58.100 -0.418 0.000 1.228 269 Y CB -0.491 37.838 38.460 -0.218 0.000 0.985 269 Y HN 0.252 nan 8.280 nan 0.000 0.542 270 L N 0.288 121.080 121.223 -0.718 0.000 2.162 270 L HA -0.047 4.293 4.340 -0.000 0.000 0.205 270 L C 2.582 179.235 176.870 -0.361 0.000 1.086 270 L CA 1.481 55.915 54.840 -0.678 0.000 0.778 270 L CB -0.813 40.893 42.059 -0.588 0.000 0.928 270 L HN 0.408 nan 8.230 nan 0.000 0.446 271 T N -3.367 111.027 114.554 -0.267 0.000 2.978 271 T HA -0.002 4.348 4.350 -0.000 0.000 0.262 271 T C 1.902 176.514 174.700 -0.146 0.000 1.063 271 T CA 0.811 62.808 62.100 -0.172 0.000 1.140 271 T CB -0.495 68.295 68.868 -0.130 0.000 0.886 271 T HN 0.311 nan 8.240 nan 0.000 0.470 272 G N 1.451 110.133 108.800 -0.196 0.000 2.394 272 G HA2 0.422 4.382 3.960 -0.000 0.000 0.215 272 G HA3 0.422 4.382 3.960 -0.000 0.000 0.215 272 G C 0.858 175.750 174.900 -0.013 0.000 1.165 272 G CA 0.258 45.322 45.100 -0.059 0.000 0.784 272 G HN 1.236 nan 8.290 nan 0.000 0.535 273 G N -2.066 106.671 108.800 -0.106 0.000 2.539 273 G HA2 0.003 3.963 3.960 -0.000 0.000 0.686 273 G HA3 0.003 3.963 3.960 -0.000 0.000 0.686 273 G C 0.082 174.947 174.900 -0.059 0.000 1.258 273 G CA -0.189 44.850 45.100 -0.102 0.000 0.846 273 G HN 0.069 nan 8.290 nan 0.000 0.647 274 F N 0.572 120.591 119.950 0.115 0.000 2.234 274 F HA 0.020 4.547 4.527 -0.000 0.000 0.299 274 F C 3.089 178.939 175.800 0.084 0.000 1.087 274 F CA 2.243 60.320 58.000 0.128 0.000 1.340 274 F CB -0.463 38.605 39.000 0.113 0.000 1.031 274 F HN 0.546 nan 8.300 nan 0.000 0.500 275 T N -0.262 114.430 114.554 0.230 0.000 2.708 275 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 275 T C 2.312 177.051 174.700 0.065 0.000 1.037 275 T CA 1.416 63.592 62.100 0.125 0.000 1.146 275 T CB -0.636 68.290 68.868 0.096 0.000 0.865 275 T HN 0.275 nan 8.240 nan 0.000 0.435 276 A N 1.896 124.755 122.820 0.065 0.000 1.930 276 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 276 A C 2.258 179.807 177.584 -0.059 0.000 1.175 276 A CA 1.465 53.503 52.037 0.001 0.000 0.627 276 A CB -0.773 18.249 19.000 0.036 0.000 0.815 276 A HN 0.539 nan 8.150 nan 0.000 0.443 277 N N -0.320 118.424 118.700 0.073 0.000 2.069 277 N HA -0.157 4.583 4.740 -0.000 0.000 0.191 277 N C 1.601 177.102 175.510 -0.014 0.000 1.031 277 N CA 2.105 55.197 53.050 0.069 0.000 0.852 277 N CB -0.174 38.478 38.487 0.275 0.000 1.018 277 N HN 0.428 nan 8.380 nan 0.000 0.423 278 T N -0.151 114.398 114.554 -0.007 0.000 2.746 278 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 278 T C 1.859 176.335 174.700 -0.375 0.000 1.039 278 T CA 1.612 63.602 62.100 -0.184 0.000 1.142 278 T CB -0.596 68.193 68.868 -0.131 0.000 0.866 278 T HN 0.312 nan 8.240 nan 0.000 0.444 279 T N 2.234 116.668 114.554 -0.201 0.000 2.684 279 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 279 T C 1.885 176.545 174.700 -0.066 0.000 1.036 279 T CA 0.940 62.965 62.100 -0.126 0.000 1.148 279 T CB -0.480 68.345 68.868 -0.072 0.000 0.863 279 T HN 0.108 nan 8.240 nan 0.000 0.436 280 L N 1.104 122.259 121.223 -0.113 0.000 2.046 280 L HA -0.014 4.326 4.340 -0.000 0.000 0.208 280 L C 2.638 179.527 176.870 0.031 0.000 1.077 280 L CA 1.893 56.687 54.840 -0.077 0.000 0.747 280 L CB -1.052 40.861 42.059 -0.244 0.000 0.896 280 L HN 0.215 nan 8.230 nan 0.000 0.432 281 S N -1.575 114.116 115.700 -0.015 0.000 2.370 281 S HA -0.247 4.223 4.470 -0.000 0.000 0.226 281 S C 2.081 176.776 174.600 0.159 0.000 1.033 281 S CA 1.373 59.599 58.200 0.043 0.000 1.011 281 S CB -0.422 62.787 63.200 0.015 0.000 0.852 281 S HN 0.670 nan 8.310 nan 0.000 0.457 282 H N -0.727 118.369 119.070 0.043 0.000 2.357 282 H HA 0.011 4.567 4.556 -0.000 0.000 0.301 282 H C 1.779 177.133 175.328 0.044 0.000 1.082 282 H CA 1.538 57.604 56.048 0.030 0.000 1.342 282 H CB -1.089 28.694 29.762 0.035 0.000 1.389 282 H HN 0.653 nan 8.280 nan 0.000 0.511 283 Y N 0.580 120.945 120.300 0.108 0.000 2.181 283 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 283 Y C 2.485 178.419 175.900 0.056 0.000 1.146 283 Y CA 1.313 59.450 58.100 0.062 0.000 1.164 283 Y CB -0.578 37.903 38.460 0.034 0.000 0.982 283 Y HN 0.136 nan 8.280 nan 0.000 0.515 284 C N 0.282 119.683 119.300 0.168 0.000 2.425 284 C HA -0.151 4.309 4.460 -0.000 0.000 0.277 284 C C 2.753 177.757 174.990 0.023 0.000 1.280 284 C CA 1.469 60.553 59.018 0.109 0.000 1.744 284 C CB -1.223 26.605 27.740 0.145 0.000 1.989 284 C HN 0.585 nan 8.230 nan 0.000 0.491 285 R N 1.852 122.323 120.500 -0.049 0.000 2.073 285 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 285 R C 1.519 177.755 176.300 -0.106 0.000 1.134 285 R CA 2.014 58.022 56.100 -0.153 0.000 0.952 285 R CB -0.951 29.268 30.300 -0.134 0.000 0.850 285 R HN 0.420 nan 8.270 nan 0.000 0.433 286 D N -0.174 120.151 120.400 -0.124 0.000 2.310 286 D HA -0.067 4.573 4.640 -0.000 0.000 0.212 286 D C 0.418 176.604 176.300 -0.189 0.000 0.965 286 D CA 0.870 54.781 54.000 -0.148 0.000 0.879 286 D CB -0.021 40.685 40.800 -0.158 0.000 0.921 286 D HN 0.362 nan 8.370 nan 0.000 0.510 287 N N -0.721 117.835 118.700 -0.241 0.000 2.177 287 N HA 0.116 4.856 4.740 -0.000 0.000 0.218 287 N C 0.906 176.389 175.510 -0.045 0.000 1.182 287 N CA 0.361 53.283 53.050 -0.213 0.000 0.882 287 N CB 1.818 40.022 38.487 -0.471 0.000 1.052 287 N HN 0.073 nan 8.380 nan 0.000 0.519 288 G N 1.580 110.418 108.800 0.063 0.000 2.179 288 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 288 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 288 G C -0.104 174.829 174.900 0.055 0.000 1.010 288 G CA 0.137 45.322 45.100 0.142 0.000 0.736 288 G HN 0.252 nan 8.290 nan 0.000 0.513 289 L N 0.035 121.348 121.223 0.150 0.000 2.307 289 L HA 0.564 4.904 4.340 -0.000 0.000 0.282 289 L C 1.120 178.054 176.870 0.106 0.000 1.051 289 L CA -0.982 53.908 54.840 0.084 0.000 0.804 289 L CB 1.215 43.349 42.059 0.125 0.000 1.197 289 L HN 0.062 nan 8.230 nan 0.000 0.431 290 L N 3.552 124.743 121.223 -0.054 0.000 2.436 290 L HA 0.310 4.650 4.340 -0.000 0.000 0.265 290 L C -0.473 176.353 176.870 -0.074 0.000 1.168 290 L CA -0.398 54.405 54.840 -0.061 0.000 0.815 290 L CB 1.156 43.107 42.059 -0.181 0.000 1.109 290 L HN 0.382 nan 8.230 nan 0.000 0.462 291 L N 2.117 123.271 121.223 -0.115 0.000 2.372 291 L HA 0.360 4.700 4.340 -0.000 0.000 0.274 291 L C -0.704 176.007 176.870 -0.265 0.000 0.988 291 L CA -0.233 54.530 54.840 -0.128 0.000 0.833 291 L CB 1.218 43.255 42.059 -0.037 0.000 1.236 291 L HN 0.464 nan 8.230 nan 0.000 0.410 292 H N 5.464 124.281 119.070 -0.422 0.000 2.517 292 H HA 0.603 5.159 4.556 -0.000 0.000 0.317 292 H C -0.937 174.274 175.328 -0.195 0.000 1.080 292 H CA -0.546 55.205 56.048 -0.494 0.000 1.301 292 H CB 0.803 30.014 29.762 -0.919 0.000 1.425 292 H HN 0.507 nan 8.280 nan 0.000 0.471 293 I N 5.652 125.904 120.570 -0.531 0.000 2.354 293 I HA 0.132 4.302 4.170 -0.000 0.000 0.292 293 I C 0.052 176.012 176.117 -0.262 0.000 0.989 293 I CA -0.441 60.677 61.300 -0.302 0.000 1.188 293 I CB 1.007 38.797 38.000 -0.350 0.000 1.342 293 I HN 0.722 nan 8.210 nan 0.000 0.457 294 H N 7.338 126.332 119.070 -0.126 0.000 2.458 294 H HA 0.335 4.891 4.556 -0.000 0.000 0.330 294 H C 0.242 175.569 175.328 -0.002 0.000 1.111 294 H CA -0.513 55.445 56.048 -0.150 0.000 1.245 294 H CB 1.534 31.217 29.762 -0.131 0.000 1.456 294 H HN 0.576 nan 8.280 nan 0.000 0.488 295 R N 3.056 123.445 120.500 -0.184 0.000 2.721 295 R HA 0.432 4.772 4.340 -0.000 0.000 0.296 295 R C 0.039 176.413 176.300 0.124 0.000 1.174 295 R CA -0.518 55.625 56.100 0.071 0.000 1.129 295 R CB -0.065 30.196 30.300 -0.065 0.000 1.316 295 R HN 0.342 nan 8.270 nan 0.000 0.571 296 A N 1.558 124.543 122.820 0.275 0.000 2.565 296 A HA 0.097 4.417 4.320 -0.000 0.000 0.237 296 A C 0.961 178.581 177.584 0.059 0.000 1.053 296 A CA 0.738 52.899 52.037 0.206 0.000 0.755 296 A CB -0.090 18.983 19.000 0.122 0.000 0.980 296 A HN 0.883 nan 8.150 nan 0.000 0.506 297 M N 0.624 120.238 119.600 0.023 0.000 3.007 297 M HA -0.303 4.177 4.480 -0.000 0.000 0.210 297 M C 0.980 177.239 176.300 -0.069 0.000 0.585 297 M CA 1.948 57.217 55.300 -0.053 0.000 0.804 297 M CB -2.155 30.399 32.600 -0.076 0.000 2.870 297 M HN 1.270 nan 8.290 nan 0.000 0.297 298 H N -0.501 118.522 119.070 -0.078 0.000 2.353 298 H HA 0.158 4.714 4.556 -0.000 0.000 0.298 298 H C 1.763 177.057 175.328 -0.056 0.000 1.103 298 H CA 2.167 58.180 56.048 -0.058 0.000 1.293 298 H CB -0.672 29.069 29.762 -0.035 0.000 1.372 298 H HN 0.516 nan 8.280 nan 0.000 0.501 299 A N 1.117 123.461 122.820 -0.793 0.000 2.125 299 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 299 A C 2.469 179.923 177.584 -0.216 0.000 1.156 299 A CA 1.219 52.954 52.037 -0.503 0.000 0.671 299 A CB -0.747 17.939 19.000 -0.523 0.000 0.794 299 A HN 0.380 nan 8.150 nan 0.000 0.459 300 V N -0.497 119.316 119.914 -0.170 0.000 2.515 300 V HA -0.192 3.928 4.120 -0.000 0.000 0.250 300 V C 2.144 178.201 176.094 -0.063 0.000 1.058 300 V CA 1.948 64.190 62.300 -0.096 0.000 1.064 300 V CB -0.447 31.326 31.823 -0.083 0.000 0.675 300 V HN 0.615 nan 8.190 nan 0.000 0.461 301 I N 0.400 120.931 120.570 -0.066 0.000 3.300 301 I HA 0.024 4.194 4.170 -0.000 0.000 0.279 301 I C 1.619 177.726 176.117 -0.016 0.000 1.172 301 I CA 0.812 62.086 61.300 -0.044 0.000 1.431 301 I CB -0.014 37.943 38.000 -0.071 0.000 1.240 301 I HN 0.421 nan 8.210 nan 0.000 0.453 302 D N 0.242 120.635 120.400 -0.011 0.000 2.363 302 D HA -0.043 4.597 4.640 -0.000 0.000 0.214 302 D C 1.757 178.051 176.300 -0.010 0.000 1.093 302 D CA -0.007 53.994 54.000 0.003 0.000 0.837 302 D CB -0.072 40.754 40.800 0.045 0.000 0.948 302 D HN 0.104 nan 8.370 nan 0.000 0.507 303 R N -0.189 120.301 120.500 -0.017 0.000 2.057 303 R HA 0.028 4.368 4.340 -0.000 0.000 0.224 303 R C 0.263 176.585 176.300 0.036 0.000 1.136 303 R CA 0.588 56.683 56.100 -0.007 0.000 0.968 303 R CB 0.138 30.413 30.300 -0.042 0.000 0.863 303 R HN 0.066 nan 8.270 nan 0.000 0.433 304 Q N 1.396 121.227 119.800 0.053 0.000 2.304 304 Q HA -0.026 4.314 4.340 -0.000 0.000 0.260 304 Q C 0.231 176.295 176.000 0.106 0.000 0.965 304 Q CA 0.212 56.060 55.803 0.076 0.000 0.898 304 Q CB 1.519 30.306 28.738 0.083 0.000 1.196 304 Q HN 0.187 nan 8.270 nan 0.000 0.402 305 K N 3.401 123.863 120.400 0.103 0.000 2.209 305 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 305 K C 0.912 177.582 176.600 0.116 0.000 1.048 305 K CA 1.368 57.726 56.287 0.118 0.000 0.940 305 K CB 0.293 32.854 32.500 0.101 0.000 0.729 305 K HN 0.625 nan 8.250 nan 0.000 0.451 306 N N -0.665 118.106 118.700 0.118 0.000 2.395 306 N HA -0.121 4.619 4.740 -0.000 0.000 0.175 306 N C -0.053 175.575 175.510 0.196 0.000 1.029 306 N CA 0.635 53.762 53.050 0.129 0.000 0.897 306 N CB -0.067 38.486 38.487 0.111 0.000 0.991 306 N HN 0.227 nan 8.380 nan 0.000 0.441 307 H N -1.286 117.849 119.070 0.108 0.000 2.954 307 H HA 0.568 5.124 4.556 -0.000 0.000 0.361 307 H C 0.097 175.529 175.328 0.174 0.000 1.122 307 H CA 0.375 56.520 56.048 0.162 0.000 1.217 307 H CB 1.621 31.464 29.762 0.134 0.000 1.776 307 H HN 0.367 nan 8.280 nan 0.000 0.533 308 G N 2.406 111.248 108.800 0.069 0.000 2.255 308 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.216 308 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.216 308 G C -1.489 173.449 174.900 0.064 0.000 1.307 308 G CA -0.389 44.748 45.100 0.063 0.000 1.162 308 G HN 0.638 nan 8.290 nan 0.000 0.494 309 M N 0.806 120.404 119.600 -0.004 0.000 2.326 309 M HA 0.375 4.855 4.480 -0.000 0.000 0.292 309 M C -0.326 176.000 176.300 0.044 0.000 1.081 309 M CA -0.811 54.483 55.300 -0.009 0.000 0.919 309 M CB 2.363 34.867 32.600 -0.159 0.000 1.634 309 M HN 0.757 nan 8.290 nan 0.000 0.451 310 H N 1.984 121.062 119.070 0.012 0.000 2.790 310 H HA 0.056 4.612 4.556 -0.000 0.000 0.358 310 H C 0.207 175.569 175.328 0.056 0.000 1.103 310 H CA 0.742 56.828 56.048 0.063 0.000 1.426 310 H CB 0.858 30.660 29.762 0.065 0.000 1.424 310 H HN 0.784 nan 8.280 nan 0.000 0.599 311 F N 5.067 124.724 119.950 -0.489 0.000 2.192 311 F HA -0.233 4.294 4.527 -0.000 0.000 0.301 311 F C 2.612 178.312 175.800 -0.167 0.000 1.079 311 F CA 1.828 59.639 58.000 -0.315 0.000 1.303 311 F CB -0.143 38.551 39.000 -0.510 0.000 1.024 311 F HN 0.690 nan 8.300 nan 0.000 0.494 312 R N -0.335 120.148 120.500 -0.029 0.000 2.127 312 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 312 R C 1.788 178.030 176.300 -0.097 0.000 1.134 312 R CA 1.885 57.939 56.100 -0.076 0.000 0.975 312 R CB -1.390 29.067 30.300 0.261 0.000 0.865 312 R HN 0.301 nan 8.270 nan 0.000 0.447 313 V N 1.819 121.719 119.914 -0.023 0.000 2.379 313 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 313 V C 2.428 178.554 176.094 0.053 0.000 1.044 313 V CA 1.484 63.805 62.300 0.036 0.000 1.036 313 V CB -0.342 31.506 31.823 0.041 0.000 0.664 313 V HN 0.291 nan 8.190 nan 0.000 0.453 314 L N 0.034 121.210 121.223 -0.079 0.000 2.201 314 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 314 L C 2.641 179.453 176.870 -0.095 0.000 1.105 314 L CA 1.280 56.147 54.840 0.045 0.000 0.775 314 L CB -0.744 41.332 42.059 0.027 0.000 0.913 314 L HN 0.357 nan 8.230 nan 0.000 0.440 315 A N 0.174 122.660 122.820 -0.557 0.000 1.897 315 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 315 A C 2.354 179.846 177.584 -0.154 0.000 1.181 315 A CA 1.202 52.950 52.037 -0.482 0.000 0.620 315 A CB -0.215 18.383 19.000 -0.670 0.000 0.821 315 A HN 0.250 nan 8.150 nan 0.000 0.443 316 K N -0.196 120.181 120.400 -0.040 0.000 2.057 316 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 316 K C 2.317 178.935 176.600 0.030 0.000 1.049 316 K CA 1.102 57.465 56.287 0.127 0.000 0.931 316 K CB -0.327 32.278 32.500 0.175 0.000 0.714 316 K HN 0.429 nan 8.250 nan 0.000 0.440 317 A N 1.956 124.762 122.820 -0.023 0.000 1.908 317 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 317 A C 2.055 179.614 177.584 -0.041 0.000 1.181 317 A CA 1.108 53.039 52.037 -0.176 0.000 0.627 317 A CB -0.578 18.302 19.000 -0.199 0.000 0.818 317 A HN 0.251 nan 8.150 nan 0.000 0.445 318 L N -0.368 120.908 121.223 0.089 0.000 2.093 318 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 318 L C 2.446 179.244 176.870 -0.120 0.000 1.085 318 L CA 2.285 57.109 54.840 -0.027 0.000 0.755 318 L CB -0.832 41.014 42.059 -0.356 0.000 0.904 318 L HN 0.544 nan 8.230 nan 0.000 0.435 319 R N -0.467 119.936 120.500 -0.162 0.000 2.120 319 R HA -0.151 4.189 4.340 -0.000 0.000 0.234 319 R C 2.344 178.542 176.300 -0.171 0.000 1.123 319 R CA 1.222 57.180 56.100 -0.237 0.000 0.975 319 R CB -0.028 29.990 30.300 -0.470 0.000 0.866 319 R HN 0.412 nan 8.270 nan 0.000 0.446 320 L N -0.864 120.254 121.223 -0.174 0.000 2.049 320 L HA -0.081 4.259 4.340 -0.000 0.000 0.203 320 L C 2.582 179.388 176.870 -0.105 0.000 1.074 320 L CA 1.233 55.882 54.840 -0.317 0.000 0.749 320 L CB -0.584 40.928 42.059 -0.910 0.000 0.907 320 L HN 0.216 nan 8.230 nan 0.000 0.439 321 S N -0.755 114.914 115.700 -0.052 0.000 2.359 321 S HA 0.000 4.470 4.470 -0.000 0.000 0.224 321 S C 0.843 175.494 174.600 0.084 0.000 1.035 321 S CA 1.148 59.415 58.200 0.112 0.000 1.018 321 S CB -0.289 63.050 63.200 0.233 0.000 0.876 321 S HN 0.618 nan 8.310 nan 0.000 0.448 322 G N -1.687 107.124 108.800 0.018 0.000 2.931 322 G HA2 0.438 4.398 3.960 -0.000 0.000 0.675 322 G HA3 0.438 4.398 3.960 -0.000 0.000 0.675 322 G C -0.326 174.542 174.900 -0.054 0.000 1.339 322 G CA -0.464 44.630 45.100 -0.010 0.000 0.866 322 G HN 1.117 nan 8.290 nan 0.000 0.616 323 G N 0.346 109.094 108.800 -0.086 0.000 2.556 323 G HA2 0.604 4.564 3.960 -0.000 0.000 0.294 323 G HA3 0.604 4.564 3.960 -0.000 0.000 0.294 323 G C -0.245 174.596 174.900 -0.098 0.000 1.516 323 G CA 0.317 45.349 45.100 -0.114 0.000 0.824 323 G HN 0.408 nan 8.290 nan 0.000 0.535 324 D N -0.555 119.789 120.400 -0.094 0.000 2.338 324 D HA 0.117 4.757 4.640 -0.000 0.000 0.208 324 D C 0.382 176.734 176.300 0.087 0.000 0.997 324 D CA 0.946 54.930 54.000 -0.027 0.000 0.880 324 D CB 0.447 41.223 40.800 -0.040 0.000 0.980 324 D HN 0.551 nan 8.370 nan 0.000 0.509 325 H N -0.674 118.271 119.070 -0.207 0.000 2.747 325 H HA 0.637 5.193 4.556 -0.000 0.000 0.371 325 H C -0.803 174.314 175.328 -0.351 0.000 1.161 325 H CA -0.829 55.059 56.048 -0.268 0.000 1.167 325 H CB 3.189 32.757 29.762 -0.323 0.000 1.732 325 H HN -0.152 nan 8.280 nan 0.000 0.544 326 I N 1.566 122.027 120.570 -0.182 0.000 2.680 326 I HA 0.117 4.287 4.170 -0.000 0.000 0.291 326 I C -0.792 175.242 176.117 -0.139 0.000 1.244 326 I CA -0.516 60.672 61.300 -0.187 0.000 1.042 326 I CB 1.753 39.679 38.000 -0.123 0.000 1.277 326 I HN 0.688 nan 8.210 nan 0.000 0.423 327 H N 5.109 124.019 119.070 -0.266 0.000 2.848 327 H HA 0.136 4.692 4.556 -0.000 0.000 0.341 327 H C 0.425 175.625 175.328 -0.214 0.000 1.060 327 H CA 0.793 56.686 56.048 -0.259 0.000 1.444 327 H CB 1.085 30.615 29.762 -0.387 0.000 1.446 327 H HN 0.631 nan 8.280 nan 0.000 0.583 328 S N 1.740 117.395 115.700 -0.076 0.000 2.937 328 S HA 0.343 4.813 4.470 -0.000 0.000 0.252 328 S C 0.788 175.443 174.600 0.092 0.000 1.022 328 S CA -0.003 58.245 58.200 0.081 0.000 1.079 328 S CB 0.791 64.251 63.200 0.433 0.000 1.035 328 S HN 1.094 nan 8.310 nan 0.000 0.594 329 G N 0.895 109.663 108.800 -0.053 0.000 2.757 329 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.638 329 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.638 329 G C 0.233 175.161 174.900 0.047 0.000 1.344 329 G CA -0.077 45.025 45.100 0.003 0.000 0.855 329 G HN 0.567 nan 8.290 nan 0.000 0.537 330 T N -1.298 113.279 114.554 0.039 0.000 2.990 330 T HA 0.364 4.714 4.350 -0.000 0.000 0.249 330 T C 2.089 176.849 174.700 0.101 0.000 1.039 330 T CA 1.900 64.019 62.100 0.032 0.000 1.036 330 T CB -0.302 68.518 68.868 -0.080 0.000 0.994 330 T HN 2.024 nan 8.240 nan 0.000 0.489 331 V N 0.108 120.062 119.914 0.068 0.000 0.524 331 V HA -0.311 3.809 4.120 -0.000 0.000 0.092 331 V C 1.239 177.340 176.094 0.012 0.000 2.204 331 V CA 2.067 64.381 62.300 0.022 0.000 3.556 331 V CB -1.642 30.157 31.823 -0.040 0.000 0.846 331 V HN 0.442 nan 8.190 nan 0.000 0.884 339 R N 2.525 123.005 120.500 -0.034 0.000 2.115 339 R HA -0.221 4.119 4.340 -0.000 0.000 0.239 339 R C 0.775 177.003 176.300 -0.120 0.000 1.133 339 R CA 2.633 58.678 56.100 -0.092 0.000 0.935 339 R CB -0.031 30.219 30.300 -0.083 0.000 0.853 339 R HN 0.427 nan 8.270 nan 0.000 0.433 340 D N 0.383 120.736 120.400 -0.079 0.000 2.123 340 D HA -0.174 4.466 4.640 -0.000 0.000 0.196 340 D C 1.961 178.213 176.300 -0.080 0.000 0.992 340 D CA 1.126 55.079 54.000 -0.080 0.000 0.833 340 D CB -0.200 40.571 40.800 -0.049 0.000 0.954 340 D HN 0.276 nan 8.370 nan 0.000 0.455 341 I N 1.146 121.698 120.570 -0.030 0.000 2.226 341 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 341 I C 2.263 178.322 176.117 -0.097 0.000 1.100 341 I CA 1.155 62.478 61.300 0.039 0.000 1.374 341 I CB -1.414 36.695 38.000 0.181 0.000 1.057 341 I HN 0.011 nan 8.210 nan 0.000 0.413 342 T N 1.758 116.149 114.554 -0.273 0.000 2.708 342 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 342 T C 2.160 176.362 174.700 -0.830 0.000 1.037 342 T CA 1.117 62.717 62.100 -0.835 0.000 1.146 342 T CB -0.444 68.161 68.868 -0.439 0.000 0.865 342 T HN 0.226 nan 8.240 nan 0.000 0.435 343 L N 0.763 121.718 121.223 -0.446 0.000 2.127 343 L HA -0.046 4.294 4.340 -0.000 0.000 0.211 343 L C 2.942 179.681 176.870 -0.218 0.000 1.089 343 L CA 1.212 55.857 54.840 -0.326 0.000 0.757 343 L CB -0.954 40.962 42.059 -0.239 0.000 0.899 343 L HN 0.373 nan 8.230 nan 0.000 0.434 344 G N 0.936 109.630 108.800 -0.176 0.000 2.421 344 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.216 344 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.216 344 G C 1.298 176.236 174.900 0.063 0.000 1.171 344 G CA 0.954 46.032 45.100 -0.036 0.000 0.775 344 G HN 0.494 nan 8.290 nan 0.000 0.543 345 F N 0.543 120.563 119.950 0.118 0.000 2.558 345 F HA 0.279 4.806 4.527 -0.000 0.000 0.298 345 F C 2.087 177.960 175.800 0.121 0.000 1.119 345 F CA -0.095 57.990 58.000 0.142 0.000 1.451 345 F CB -0.729 38.396 39.000 0.209 0.000 1.091 345 F HN -0.012 nan 8.300 nan 0.000 0.563 346 V N 1.181 121.122 119.914 0.046 0.000 2.358 346 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 346 V C 2.097 178.247 176.094 0.093 0.000 1.047 346 V CA 2.231 64.594 62.300 0.105 0.000 1.035 346 V CB -0.626 31.187 31.823 -0.017 0.000 0.658 346 V HN 0.224 nan 8.190 nan 0.000 0.452 347 D N 0.091 120.526 120.400 0.058 0.000 2.144 347 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 347 D C 2.086 178.450 176.300 0.107 0.000 0.984 347 D CA 1.151 55.191 54.000 0.067 0.000 0.834 347 D CB -0.218 40.614 40.800 0.053 0.000 0.955 347 D HN 0.333 nan 8.370 nan 0.000 0.465 348 L N 0.006 121.327 121.223 0.164 0.000 2.191 348 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 348 L C 2.343 179.258 176.870 0.076 0.000 1.103 348 L CA 0.487 55.469 54.840 0.237 0.000 0.769 348 L CB -0.143 42.092 42.059 0.294 0.000 0.908 348 L HN 0.054 nan 8.230 nan 0.000 0.438 349 L N -1.121 120.117 121.223 0.026 0.000 2.209 349 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 349 L C 2.646 179.404 176.870 -0.186 0.000 1.094 349 L CA 0.820 55.593 54.840 -0.113 0.000 0.790 349 L CB -0.148 41.922 42.059 0.019 0.000 0.932 349 L HN 0.166 nan 8.230 nan 0.000 0.447 350 R N -0.906 119.545 120.500 -0.082 0.000 2.146 350 R HA 0.081 4.421 4.340 -0.000 0.000 0.206 350 R C 0.015 176.278 176.300 -0.062 0.000 1.049 350 R CA 0.065 56.124 56.100 -0.068 0.000 1.029 350 R CB 0.101 30.401 30.300 0.000 0.000 0.949 350 R HN 0.223 nan 8.270 nan 0.000 0.471 351 D N 0.539 120.933 120.400 -0.011 0.000 2.383 351 D HA -0.012 4.628 4.640 -0.000 0.000 0.248 351 D C 0.275 176.647 176.300 0.120 0.000 1.170 351 D CA 0.056 54.096 54.000 0.067 0.000 0.977 351 D CB 0.936 41.810 40.800 0.123 0.000 1.120 351 D HN -0.067 nan 8.370 nan 0.000 0.481 352 D N -1.505 119.018 120.400 0.206 0.000 2.327 352 D HA -0.048 4.592 4.640 -0.000 0.000 0.205 352 D C -0.744 175.841 176.300 0.475 0.000 0.989 352 D CA 0.293 54.481 54.000 0.314 0.000 0.873 352 D CB 0.268 41.197 40.800 0.215 0.000 0.955 352 D HN 0.338 nan 8.370 nan 0.000 0.515 353 Y N -0.536 119.904 120.300 0.233 0.000 2.399 353 Y HA 0.410 4.960 4.550 -0.000 0.000 0.327 353 Y C -1.693 174.298 175.900 0.151 0.000 1.111 353 Y CA -0.723 57.481 58.100 0.173 0.000 1.047 353 Y CB 1.721 40.242 38.460 0.101 0.000 1.259 353 Y HN -0.297 nan 8.280 nan 0.000 0.434 354 T N 5.447 119.794 114.554 -0.344 0.000 2.890 354 T HA 0.232 4.582 4.350 -0.000 0.000 0.295 354 T C -0.963 173.480 174.700 -0.429 0.000 0.993 354 T CA -0.655 61.310 62.100 -0.225 0.000 0.979 354 T CB 1.359 70.230 68.868 0.004 0.000 0.967 354 T HN 0.653 nan 8.240 nan 0.000 0.441 355 E N 2.306 122.319 120.200 -0.311 0.000 2.373 355 E HA 0.220 4.570 4.350 -0.000 0.000 0.263 355 E C 0.276 176.822 176.600 -0.090 0.000 1.073 355 E CA -0.572 55.709 56.400 -0.199 0.000 0.894 355 E CB 0.663 30.354 29.700 -0.014 0.000 1.008 355 E HN 0.428 nan 8.360 nan 0.000 0.420 356 K N 2.329 122.696 120.400 -0.055 0.000 2.524 356 K HA -0.080 4.240 4.320 -0.000 0.000 0.279 356 K C -1.019 175.549 176.600 -0.053 0.000 0.993 356 K CA 0.572 56.837 56.287 -0.038 0.000 1.030 356 K CB 0.306 32.791 32.500 -0.025 0.000 0.891 356 K HN 0.417 nan 8.250 nan 0.000 0.488 357 D N 3.617 123.970 120.400 -0.078 0.000 2.362 357 D HA 0.145 4.785 4.640 -0.000 0.000 0.232 357 D C 0.285 176.502 176.300 -0.139 0.000 1.329 357 D CA -0.474 53.476 54.000 -0.084 0.000 0.944 357 D CB 0.586 41.355 40.800 -0.052 0.000 1.471 357 D HN 0.493 nan 8.370 nan 0.000 0.533 358 R N 0.815 121.202 120.500 -0.188 0.000 2.152 358 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 358 R C 1.801 177.987 176.300 -0.190 0.000 1.117 358 R CA 1.267 57.198 56.100 -0.281 0.000 0.981 358 R CB -0.697 29.439 30.300 -0.274 0.000 0.870 358 R HN 0.506 nan 8.270 nan 0.000 0.451 359 S N 0.244 115.874 115.700 -0.117 0.000 2.507 359 S HA -0.039 4.431 4.470 -0.000 0.000 0.235 359 S C 1.433 175.994 174.600 -0.066 0.000 0.988 359 S CA 0.635 58.788 58.200 -0.079 0.000 0.944 359 S CB -0.011 63.155 63.200 -0.056 0.000 0.762 359 S HN 0.285 nan 8.310 nan 0.000 0.526 360 R N 0.048 120.504 120.500 -0.073 0.000 2.596 360 R HA 0.328 4.668 4.340 -0.000 0.000 0.369 360 R C 1.133 177.416 176.300 -0.028 0.000 1.042 360 R CA 0.258 56.331 56.100 -0.045 0.000 1.120 360 R CB 0.471 30.747 30.300 -0.040 0.000 1.353 360 R HN 0.479 nan 8.270 nan 0.000 0.564 361 G N 1.800 110.555 108.800 -0.075 0.000 2.155 361 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 361 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 361 G C 0.192 175.127 174.900 0.058 0.000 0.983 361 G CA -0.009 45.073 45.100 -0.030 0.000 0.676 361 G HN 0.306 nan 8.290 nan 0.000 0.528 362 I N 0.992 121.547 120.570 -0.024 0.000 2.269 362 I HA 0.288 4.458 4.170 -0.000 0.000 0.293 362 I C 1.265 177.359 176.117 -0.038 0.000 1.106 362 I CA -0.851 60.479 61.300 0.049 0.000 1.248 362 I CB 0.280 38.296 38.000 0.027 0.000 1.444 362 I HN 0.061 nan 8.210 nan 0.000 0.497 363 Y N 5.061 125.268 120.300 -0.154 0.000 2.457 363 Y HA 0.129 4.679 4.550 -0.000 0.000 0.292 363 Y C 0.303 175.864 175.900 -0.564 0.000 1.125 363 Y CA 0.522 58.394 58.100 -0.380 0.000 1.254 363 Y CB -0.101 38.004 38.460 -0.592 0.000 1.012 363 Y HN 0.303 nan 8.280 nan 0.000 0.555 364 F N -1.954 118.111 119.950 0.193 0.000 2.599 364 F HA 0.405 4.932 4.527 -0.000 0.000 0.311 364 F C 0.191 175.989 175.800 -0.003 0.000 1.076 364 F CA -1.704 56.357 58.000 0.102 0.000 0.937 364 F CB 1.025 40.083 39.000 0.096 0.000 1.282 364 F HN -0.508 nan 8.300 nan 0.000 0.460 365 T N 1.588 116.232 114.554 0.149 0.000 2.884 365 T HA 0.329 4.679 4.350 -0.000 0.000 0.298 365 T C -0.584 174.059 174.700 -0.095 0.000 0.998 365 T CA -0.131 61.934 62.100 -0.059 0.000 1.124 365 T CB 0.825 69.648 68.868 -0.075 0.000 0.931 365 T HN 0.436 nan 8.240 nan 0.000 0.531 366 Q N 2.003 121.668 119.800 -0.225 0.000 2.321 366 Q HA 0.534 4.874 4.340 -0.000 0.000 0.270 366 Q C -1.245 174.558 176.000 -0.328 0.000 1.032 366 Q CA -0.399 55.236 55.803 -0.279 0.000 0.784 366 Q CB 1.488 30.090 28.738 -0.228 0.000 1.264 366 Q HN 0.603 nan 8.270 nan 0.000 0.448 367 S N 3.035 118.551 115.700 -0.306 0.000 2.537 367 S HA 0.483 4.953 4.470 -0.000 0.000 0.301 367 S C -0.728 173.680 174.600 -0.320 0.000 1.092 367 S CA -0.522 57.634 58.200 -0.074 0.000 1.048 367 S CB 0.631 63.898 63.200 0.113 0.000 1.053 367 S HN 0.818 nan 8.310 nan 0.000 0.501 368 W N 0.708 122.056 121.300 0.081 0.000 2.870 368 W HA 0.232 4.892 4.660 0.000 0.000 0.358 368 W C 0.423 176.966 176.519 0.041 0.000 1.043 368 W CA -0.528 56.842 57.345 0.041 0.000 1.692 368 W CB -0.110 29.367 29.460 0.029 0.000 1.100 368 W HN 0.590 nan 8.180 nan 0.000 0.557 369 V N -0.013 120.027 119.914 0.210 0.000 5.637 369 V HA -0.377 3.743 4.120 -0.000 0.000 0.246 369 V C 0.693 176.870 176.094 0.139 0.000 0.678 369 V CA 0.745 63.130 62.300 0.140 0.000 0.578 369 V CB -2.510 29.367 31.823 0.090 0.000 0.235 369 V HN 0.494 nan 8.190 nan 0.000 0.609 370 S N -1.803 113.989 115.700 0.152 0.000 3.382 370 S HA -0.198 4.272 4.470 -0.000 0.000 0.293 370 S C 0.634 175.292 174.600 0.097 0.000 1.262 370 S CA 1.314 59.580 58.200 0.110 0.000 0.969 370 S CB -1.763 61.481 63.200 0.073 0.000 1.136 370 S HN 1.474 nan 8.310 nan 0.000 0.635 371 T N 3.686 118.325 114.554 0.142 0.000 2.834 371 T HA 0.352 4.702 4.350 -0.000 0.000 0.298 371 T C -1.852 172.842 174.700 -0.009 0.000 0.966 371 T CA -0.635 61.519 62.100 0.089 0.000 1.141 371 T CB 0.487 69.464 68.868 0.181 0.000 0.905 371 T HN 0.068 nan 8.240 nan 0.000 0.535 372 P HA 0.191 nan 4.420 nan 0.000 0.267 372 P C 0.419 177.631 177.300 -0.146 0.000 1.201 372 P CA -0.161 62.902 63.100 -0.061 0.000 0.775 372 P CB 0.376 32.053 31.700 -0.038 0.000 0.854 373 G N 0.420 109.148 108.800 -0.120 0.000 2.504 373 G HA2 0.479 4.439 3.960 -0.000 0.000 0.288 373 G HA3 0.479 4.439 3.960 -0.000 0.000 0.288 373 G C -0.974 173.851 174.900 -0.125 0.000 1.182 373 G CA -0.438 44.562 45.100 -0.166 0.000 0.894 373 G HN 0.365 nan 8.290 nan 0.000 0.521 374 V N 1.173 121.004 119.914 -0.139 0.000 2.513 374 V HA 0.271 4.391 4.120 -0.000 0.000 0.299 374 V C -0.260 175.801 176.094 -0.054 0.000 1.035 374 V CA -0.909 61.335 62.300 -0.093 0.000 0.889 374 V CB 1.598 33.342 31.823 -0.132 0.000 0.988 374 V HN 0.527 nan 8.190 nan 0.000 0.440 375 L N 8.525 129.728 121.223 -0.034 0.000 2.361 375 L HA 0.396 4.736 4.340 -0.000 0.000 0.278 375 L C -1.970 174.821 176.870 -0.132 0.000 1.113 375 L CA -1.595 53.195 54.840 -0.083 0.000 0.849 375 L CB 0.735 42.709 42.059 -0.142 0.000 1.155 375 L HN 0.453 nan 8.230 nan 0.000 0.452 376 P HA 0.144 nan 4.420 nan 0.000 0.279 376 P C -1.060 176.065 177.300 -0.291 0.000 1.239 376 P CA -0.310 62.731 63.100 -0.099 0.000 0.789 376 P CB 1.437 33.177 31.700 0.066 0.000 0.933 377 V N 2.930 122.634 119.914 -0.350 0.000 2.357 377 V HA 0.472 4.592 4.120 -0.000 0.000 0.284 377 V C 0.573 176.346 176.094 -0.536 0.000 1.018 377 V CA -0.777 61.226 62.300 -0.496 0.000 0.841 377 V CB 0.984 32.437 31.823 -0.617 0.000 0.991 377 V HN 0.693 nan 8.190 nan 0.000 0.437 378 A N 4.060 126.507 122.820 -0.621 0.000 2.289 378 A HA 0.821 5.141 4.320 -0.000 0.000 0.298 378 A C 0.113 177.438 177.584 -0.432 0.000 1.208 378 A CA -0.141 51.564 52.037 -0.555 0.000 0.845 378 A CB 1.041 19.567 19.000 -0.790 0.000 1.125 378 A HN 0.853 nan 8.150 nan 0.000 0.517 379 S N 1.145 116.672 115.700 -0.287 0.000 2.570 379 S HA 0.779 5.248 4.470 -0.000 0.000 0.270 379 S C -0.516 174.001 174.600 -0.139 0.000 1.149 379 S CA 0.384 58.451 58.200 -0.223 0.000 0.837 379 S CB 1.516 64.672 63.200 -0.073 0.000 1.124 379 S HN 2.599 nan 8.310 nan 0.000 0.465 380 G N 1.037 109.760 108.800 -0.128 0.000 2.730 380 G HA2 0.443 4.403 3.960 -0.000 0.000 0.644 380 G HA3 0.443 4.403 3.960 -0.000 0.000 0.644 380 G C 0.902 175.736 174.900 -0.111 0.000 1.168 380 G CA 0.328 45.380 45.100 -0.080 0.000 1.240 380 G HN 2.113 nan 8.290 nan 0.000 0.551 381 G N 0.551 109.311 108.800 -0.066 0.000 2.296 381 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.282 381 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.282 381 G C 0.790 175.632 174.900 -0.096 0.000 1.014 381 G CA 1.225 46.301 45.100 -0.040 0.000 0.812 381 G HN 2.263 nan 8.290 nan 0.000 0.508 382 I N -2.047 118.412 120.570 -0.186 0.000 2.577 382 I HA 0.879 5.049 4.170 -0.000 0.000 0.300 382 I C 0.366 176.573 176.117 0.149 0.000 0.990 382 I CA -1.017 60.142 61.300 -0.234 0.000 1.283 382 I CB 1.237 39.011 38.000 -0.378 0.000 1.411 382 I HN 0.356 nan 8.210 nan 0.000 0.515 383 H N 1.287 120.577 119.070 0.367 0.000 2.942 383 H HA 0.424 4.980 4.556 -0.000 0.000 0.316 383 H C 0.711 176.066 175.328 0.044 0.000 1.323 383 H CA -0.430 55.603 56.048 -0.024 0.000 1.144 383 H CB 0.619 30.023 29.762 -0.596 0.000 1.866 383 H HN 0.366 nan 8.280 nan 0.000 0.545 384 V N -2.799 117.106 119.914 -0.015 0.000 2.311 384 V HA -0.346 3.774 4.120 -0.000 0.000 0.256 384 V C 1.410 177.441 176.094 -0.106 0.000 1.077 384 V CA 2.188 64.388 62.300 -0.167 0.000 1.067 384 V CB -1.378 30.260 31.823 -0.308 0.000 0.659 384 V HN 0.824 nan 8.190 nan 0.000 0.451 385 W N -0.280 121.098 121.300 0.130 0.000 2.525 385 W HA 0.022 4.682 4.660 0.000 0.000 0.259 385 W C 2.578 178.981 176.519 -0.194 0.000 1.253 385 W CA 1.096 58.417 57.345 -0.041 0.000 1.262 385 W CB -0.422 29.056 29.460 0.030 0.000 1.122 385 W HN 0.403 nan 8.180 nan 0.000 0.607 386 H N -1.078 118.033 119.070 0.069 0.000 2.551 386 H HA 0.044 4.600 4.556 -0.000 0.000 0.266 386 H C 1.883 177.265 175.328 0.089 0.000 0.964 386 H CA 0.737 56.810 56.048 0.041 0.000 1.180 386 H CB -0.127 29.608 29.762 -0.044 0.000 1.408 386 H HN 0.155 nan 8.280 nan 0.000 0.563 387 M N 1.565 121.277 119.600 0.187 0.000 2.089 387 M HA -0.099 4.381 4.480 -0.000 0.000 0.257 387 M C -0.905 175.468 176.300 0.121 0.000 1.071 387 M CA 1.773 57.158 55.300 0.141 0.000 1.096 387 M CB -0.884 31.738 32.600 0.037 0.000 1.330 387 M HN 0.096 nan 8.290 nan 0.000 0.403 388 P HA -0.059 nan 4.420 nan 0.000 0.216 388 P C 1.082 178.442 177.300 0.100 0.000 1.153 388 P CA 2.076 65.232 63.100 0.094 0.000 0.848 388 P CB -0.291 31.466 31.700 0.096 0.000 0.787 389 A N -0.529 122.362 122.820 0.118 0.000 1.877 389 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 389 A C 2.212 179.870 177.584 0.124 0.000 1.186 389 A CA 1.450 53.552 52.037 0.108 0.000 0.620 389 A CB -1.668 17.409 19.000 0.127 0.000 0.822 389 A HN 0.098 nan 8.150 nan 0.000 0.443 390 L N -0.761 120.566 121.223 0.172 0.000 2.056 390 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 390 L C 2.779 179.794 176.870 0.241 0.000 1.078 390 L CA 1.721 56.709 54.840 0.247 0.000 0.749 390 L CB -0.950 41.228 42.059 0.199 0.000 0.901 390 L HN 0.341 nan 8.230 nan 0.000 0.433 391 T N -1.049 113.600 114.554 0.158 0.000 2.746 391 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 391 T C 1.754 176.517 174.700 0.105 0.000 1.039 391 T CA 1.591 63.766 62.100 0.125 0.000 1.142 391 T CB -0.116 68.807 68.868 0.092 0.000 0.866 391 T HN 0.256 nan 8.240 nan 0.000 0.444 392 E N 1.107 121.356 120.200 0.081 0.000 2.051 392 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 392 E C 1.991 178.597 176.600 0.010 0.000 0.991 392 E CA 1.195 57.622 56.400 0.044 0.000 0.799 392 E CB -0.476 29.245 29.700 0.036 0.000 0.748 392 E HN 0.528 nan 8.360 nan 0.000 0.449 393 I N -0.742 119.819 120.570 -0.016 0.000 2.233 393 I HA -0.165 4.005 4.170 -0.000 0.000 0.243 393 I C 1.672 177.641 176.117 -0.248 0.000 1.093 393 I CA 0.888 62.086 61.300 -0.169 0.000 1.380 393 I CB -0.160 37.669 38.000 -0.286 0.000 1.067 393 I HN 0.097 nan 8.210 nan 0.000 0.413 394 F N 0.491 120.427 119.950 -0.024 0.000 2.387 394 F HA 0.285 4.812 4.527 0.000 0.000 0.294 394 F C 1.606 177.396 175.800 -0.016 0.000 1.093 394 F CA 0.789 58.771 58.000 -0.031 0.000 1.420 394 F CB -0.514 38.462 39.000 -0.041 0.000 1.086 394 F HN 0.158 nan 8.300 nan 0.000 0.531 395 G N 0.490 109.391 108.800 0.169 0.000 2.681 395 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 395 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 395 G C 0.122 175.084 174.900 0.103 0.000 1.353 395 G CA -0.068 45.095 45.100 0.105 0.000 0.872 395 G HN 0.097 nan 8.290 nan 0.000 0.557 396 D N 0.513 120.959 120.400 0.076 0.000 2.144 396 D HA 0.018 4.658 4.640 -0.000 0.000 0.200 396 D C 0.933 177.263 176.300 0.050 0.000 0.978 396 D CA 1.431 55.469 54.000 0.063 0.000 0.833 396 D CB -0.142 40.696 40.800 0.063 0.000 0.961 396 D HN 0.402 nan 8.370 nan 0.000 0.470 397 D N 0.821 121.254 120.400 0.054 0.000 2.551 397 D HA 0.170 4.809 4.640 -0.000 0.000 0.223 397 D C 0.029 176.336 176.300 0.011 0.000 1.144 397 D CA 0.111 54.131 54.000 0.033 0.000 1.025 397 D CB -0.034 40.789 40.800 0.039 0.000 1.085 397 D HN 0.029 nan 8.370 nan 0.000 0.506 398 S N -1.187 114.490 115.700 -0.038 0.000 2.587 398 S HA 0.564 5.034 4.470 -0.000 0.000 0.269 398 S C -1.054 173.439 174.600 -0.179 0.000 1.154 398 S CA -0.940 57.175 58.200 -0.142 0.000 0.824 398 S CB 1.637 64.725 63.200 -0.187 0.000 1.118 398 S HN -0.068 nan 8.310 nan 0.000 0.462 399 V N 1.827 121.571 119.914 -0.282 0.000 2.444 399 V HA 0.485 4.605 4.120 -0.000 0.000 0.294 399 V C -0.756 175.167 176.094 -0.285 0.000 1.022 399 V CA -0.629 61.543 62.300 -0.214 0.000 0.850 399 V CB 1.200 32.867 31.823 -0.261 0.000 0.992 399 V HN 0.814 nan 8.190 nan 0.000 0.426 400 L N 4.444 125.546 121.223 -0.202 0.000 2.265 400 L HA 0.575 4.915 4.340 -0.000 0.000 0.289 400 L C -0.234 176.401 176.870 -0.392 0.000 1.033 400 L CA -0.428 54.204 54.840 -0.345 0.000 0.814 400 L CB 1.376 43.328 42.059 -0.177 0.000 1.203 400 L HN 0.586 nan 8.230 nan 0.000 0.423 401 Q N 2.719 122.199 119.800 -0.534 0.000 2.314 401 Q HA 0.473 4.813 4.340 -0.000 0.000 0.259 401 Q C -1.443 174.196 176.000 -0.602 0.000 0.951 401 Q CA -0.042 55.538 55.803 -0.372 0.000 0.909 401 Q CB 1.095 29.720 28.738 -0.189 0.000 1.236 401 Q HN 0.365 nan 8.270 nan 0.000 0.444 402 F N 2.744 122.660 119.950 -0.056 0.000 2.443 402 F HA 0.415 4.942 4.527 -0.000 0.000 0.369 402 F C 1.006 176.777 175.800 -0.048 0.000 1.090 402 F CA -0.660 57.297 58.000 -0.072 0.000 1.129 402 F CB 1.142 40.089 39.000 -0.090 0.000 1.367 402 F HN 0.746 nan 8.300 nan 0.000 0.465 403 G N 1.483 110.328 108.800 0.075 0.000 2.662 403 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.215 403 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.215 403 G C 1.793 176.749 174.900 0.093 0.000 1.310 403 G CA 0.630 45.773 45.100 0.071 0.000 0.849 403 G HN 0.712 nan 8.290 nan 0.000 0.568 404 G N 0.473 109.326 108.800 0.089 0.000 2.470 404 G HA2 0.118 4.078 3.960 -0.000 0.000 0.220 404 G HA3 0.118 4.078 3.960 -0.000 0.000 0.220 404 G C 1.630 176.603 174.900 0.121 0.000 1.121 404 G CA 1.281 46.458 45.100 0.129 0.000 0.766 404 G HN 0.698 nan 8.290 nan 0.000 0.553 405 G N -0.478 108.321 108.800 -0.003 0.000 2.559 405 G HA2 0.070 4.030 3.960 -0.000 0.000 0.216 405 G HA3 0.070 4.030 3.960 -0.000 0.000 0.216 405 G C 1.500 176.376 174.900 -0.041 0.000 1.126 405 G CA 1.567 46.515 45.100 -0.253 0.000 0.778 405 G HN 0.403 nan 8.290 nan 0.000 0.543 406 T N 0.337 114.961 114.554 0.117 0.000 3.114 406 T HA 0.127 4.477 4.350 -0.000 0.000 0.240 406 T C 2.140 176.949 174.700 0.182 0.000 0.983 406 T CA -0.158 62.014 62.100 0.120 0.000 1.151 406 T CB -0.055 68.850 68.868 0.061 0.000 0.974 406 T HN 0.102 nan 8.240 nan 0.000 0.442 407 L N 1.255 122.573 121.223 0.158 0.000 2.551 407 L HA 0.219 4.559 4.340 -0.000 0.000 0.228 407 L C 2.214 179.205 176.870 0.201 0.000 1.153 407 L CA 0.657 55.584 54.840 0.144 0.000 0.851 407 L CB -0.296 41.822 42.059 0.098 0.000 0.959 407 L HN 0.326 nan 8.230 nan 0.000 0.451 408 G N -2.669 106.329 108.800 0.329 0.000 3.159 408 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.232 408 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.232 408 G C 0.446 175.490 174.900 0.240 0.000 1.116 408 G CA -0.317 44.994 45.100 0.352 0.000 0.767 408 G HN 0.254 nan 8.290 nan 0.000 0.547 409 H N 2.060 121.246 119.070 0.193 0.000 2.848 409 H HA 0.092 4.648 4.556 0.000 0.000 0.341 409 H C -1.015 174.262 175.328 -0.084 0.000 1.060 409 H CA -1.027 54.998 56.048 -0.038 0.000 1.444 409 H CB 2.104 31.881 29.762 0.025 0.000 1.446 409 H HN 0.003 nan 8.280 nan 0.000 0.583 410 P HA -0.167 nan 4.420 nan 0.000 0.218 410 P C 0.862 178.350 177.300 0.313 0.000 1.148 410 P CA 1.236 64.275 63.100 -0.100 0.000 0.822 410 P CB 0.015 31.568 31.700 -0.245 0.000 0.784 411 W N 0.345 121.779 121.300 0.223 0.000 3.139 411 W HA 0.460 5.120 4.660 -0.000 0.000 0.260 411 W C 1.230 177.823 176.519 0.123 0.000 1.312 411 W CA 0.723 58.178 57.345 0.184 0.000 1.606 411 W CB -0.810 28.773 29.460 0.204 0.000 1.118 411 W HN 0.097 nan 8.180 nan 0.000 0.675 412 G N 0.195 109.205 108.800 0.349 0.000 2.408 412 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.682 412 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.682 412 G C 0.532 175.482 174.900 0.084 0.000 1.303 412 G CA -0.291 44.911 45.100 0.170 0.000 0.966 412 G HN -0.094 nan 8.290 nan 0.000 0.560 413 N N -0.037 118.683 118.700 0.033 0.000 2.069 413 N HA -0.067 4.673 4.740 -0.000 0.000 0.191 413 N C 2.756 178.215 175.510 -0.085 0.000 1.031 413 N CA 2.697 55.735 53.050 -0.020 0.000 0.852 413 N CB -0.708 37.758 38.487 -0.034 0.000 1.018 413 N HN 1.089 nan 8.380 nan 0.000 0.423 414 A N 1.399 124.161 122.820 -0.097 0.000 1.865 414 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 414 A C -0.163 177.333 177.584 -0.148 0.000 1.191 414 A CA 1.512 53.473 52.037 -0.126 0.000 0.623 414 A CB -1.576 17.354 19.000 -0.117 0.000 0.826 414 A HN 0.237 nan 8.150 nan 0.000 0.444 415 P HA -0.032 nan 4.420 nan 0.000 0.221 415 P C 1.621 178.514 177.300 -0.679 0.000 1.150 415 P CA 1.486 64.406 63.100 -0.301 0.000 0.800 415 P CB -0.251 31.380 31.700 -0.115 0.000 0.787 416 G N 0.193 108.622 108.800 -0.619 0.000 2.408 416 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 416 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 416 G C 1.597 176.356 174.900 -0.235 0.000 1.150 416 G CA 0.849 45.701 45.100 -0.414 0.000 0.776 416 G HN 0.292 nan 8.290 nan 0.000 0.542 417 A N 0.166 122.870 122.820 -0.194 0.000 1.898 417 A HA 0.137 4.457 4.320 -0.000 0.000 0.216 417 A C 2.587 180.070 177.584 -0.168 0.000 1.181 417 A CA 1.647 53.591 52.037 -0.154 0.000 0.620 417 A CB -0.590 18.336 19.000 -0.124 0.000 0.819 417 A HN 0.229 nan 8.150 nan 0.000 0.442 418 V N 0.083 119.892 119.914 -0.176 0.000 2.332 418 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 418 V C 3.060 179.049 176.094 -0.174 0.000 1.055 418 V CA 1.988 64.202 62.300 -0.143 0.000 1.038 418 V CB -1.298 30.456 31.823 -0.114 0.000 0.651 418 V HN 0.612 nan 8.190 nan 0.000 0.450 419 A N 0.357 123.038 122.820 -0.232 0.000 1.908 419 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 419 A C 2.045 179.480 177.584 -0.249 0.000 1.181 419 A CA 2.448 54.347 52.037 -0.230 0.000 0.627 419 A CB -0.867 18.031 19.000 -0.170 0.000 0.818 419 A HN 0.698 nan 8.150 nan 0.000 0.445 420 N N -1.275 117.255 118.700 -0.283 0.000 2.142 420 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 420 N C 1.984 177.345 175.510 -0.248 0.000 1.023 420 N CA 1.276 54.093 53.050 -0.389 0.000 0.852 420 N CB -0.124 38.033 38.487 -0.551 0.000 0.998 420 N HN 0.418 nan 8.380 nan 0.000 0.424 421 R N 1.169 121.568 120.500 -0.167 0.000 2.075 421 R HA 0.003 4.343 4.340 -0.000 0.000 0.232 421 R C 1.768 178.029 176.300 -0.065 0.000 1.126 421 R CA 1.065 57.109 56.100 -0.094 0.000 0.963 421 R CB -0.750 29.507 30.300 -0.072 0.000 0.858 421 R HN 0.009 nan 8.270 nan 0.000 0.435 422 V N 0.936 120.801 119.914 -0.082 0.000 2.295 422 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 422 V C 2.371 178.417 176.094 -0.080 0.000 1.049 422 V CA 1.967 64.239 62.300 -0.046 0.000 1.024 422 V CB -1.020 30.723 31.823 -0.133 0.000 0.648 422 V HN 0.543 nan 8.190 nan 0.000 0.447 423 A N -0.183 122.540 122.820 -0.163 0.000 1.892 423 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 423 A C 2.191 179.724 177.584 -0.084 0.000 1.188 423 A CA 2.385 54.321 52.037 -0.169 0.000 0.631 423 A CB -0.667 18.188 19.000 -0.242 0.000 0.822 423 A HN 0.465 nan 8.150 nan 0.000 0.447 424 L N 0.034 121.215 121.223 -0.069 0.000 1.994 424 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 424 L C 2.271 179.150 176.870 0.015 0.000 1.071 424 L CA 2.506 57.339 54.840 -0.012 0.000 0.745 424 L CB -0.661 41.397 42.059 -0.001 0.000 0.892 424 L HN 0.521 nan 8.230 nan 0.000 0.431 425 E N -0.423 119.790 120.200 0.022 0.000 2.153 425 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 425 E C 2.113 178.755 176.600 0.069 0.000 0.988 425 E CA 1.000 57.429 56.400 0.049 0.000 0.811 425 E CB -0.273 29.465 29.700 0.062 0.000 0.746 425 E HN 0.678 nan 8.360 nan 0.000 0.466 426 A N 0.909 123.775 122.820 0.076 0.000 1.902 426 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 426 A C 2.450 180.072 177.584 0.063 0.000 1.181 426 A CA 1.165 53.260 52.037 0.097 0.000 0.623 426 A CB -0.794 18.249 19.000 0.072 0.000 0.818 426 A HN 0.340 nan 8.150 nan 0.000 0.443 427 C N -1.326 117.998 119.300 0.040 0.000 2.446 427 C HA -0.033 4.427 4.460 -0.000 0.000 0.277 427 C C 2.744 177.763 174.990 0.048 0.000 1.275 427 C CA 0.934 59.978 59.018 0.043 0.000 1.727 427 C CB -1.214 26.550 27.740 0.040 0.000 2.010 427 C HN 0.452 nan 8.230 nan 0.000 0.486 428 V N 0.664 120.606 119.914 0.047 0.000 2.295 428 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 428 V C 2.554 178.675 176.094 0.044 0.000 1.049 428 V CA 2.282 64.610 62.300 0.047 0.000 1.024 428 V CB -0.906 30.945 31.823 0.045 0.000 0.648 428 V HN 0.629 nan 8.190 nan 0.000 0.447 429 Q N -0.105 119.723 119.800 0.047 0.000 2.061 429 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 429 Q C 2.256 178.281 176.000 0.041 0.000 0.984 429 Q CA 2.200 58.028 55.803 0.042 0.000 0.846 429 Q CB -0.305 28.461 28.738 0.047 0.000 0.902 429 Q HN 0.623 nan 8.270 nan 0.000 0.421 430 A N 1.410 124.259 122.820 0.048 0.000 1.883 430 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 430 A C 2.159 179.766 177.584 0.039 0.000 1.186 430 A CA 1.651 53.715 52.037 0.045 0.000 0.624 430 A CB -0.778 18.252 19.000 0.051 0.000 0.822 430 A HN 0.471 nan 8.150 nan 0.000 0.444 431 R N 0.075 120.599 120.500 0.040 0.000 2.083 431 R HA -0.156 4.184 4.340 -0.000 0.000 0.237 431 R C 1.859 178.178 176.300 0.031 0.000 1.137 431 R CA 1.917 58.039 56.100 0.036 0.000 0.951 431 R CB -0.538 29.786 30.300 0.040 0.000 0.851 431 R HN 0.739 nan 8.270 nan 0.000 0.434 432 N N 0.026 118.745 118.700 0.031 0.000 2.289 432 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 432 N C 1.006 176.529 175.510 0.022 0.000 1.016 432 N CA 0.972 54.038 53.050 0.027 0.000 0.872 432 N CB 0.033 38.535 38.487 0.026 0.000 0.973 432 N HN 0.425 nan 8.380 nan 0.000 0.433 433 E N -0.285 119.929 120.200 0.024 0.000 2.502 433 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 433 E C 0.926 177.538 176.600 0.020 0.000 1.062 433 E CA 0.095 56.508 56.400 0.020 0.000 0.867 433 E CB 0.322 30.035 29.700 0.022 0.000 0.888 433 E HN 0.456 nan 8.360 nan 0.000 0.510 434 G N 1.794 110.608 108.800 0.022 0.000 2.176 434 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.232 434 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.232 434 G C 0.193 175.107 174.900 0.023 0.000 0.986 434 G CA -0.426 44.686 45.100 0.021 0.000 0.643 434 G HN 0.065 nan 8.290 nan 0.000 0.522 435 R N 0.659 121.175 120.500 0.027 0.000 2.594 435 R HA 0.309 4.649 4.340 -0.000 0.000 0.272 435 R C -0.629 175.689 176.300 0.030 0.000 1.074 435 R CA -0.409 55.709 56.100 0.030 0.000 1.105 435 R CB 0.615 30.936 30.300 0.035 0.000 1.008 435 R HN 0.217 nan 8.270 nan 0.000 0.472 436 D N 2.981 123.398 120.400 0.029 0.000 2.339 436 D HA 0.045 4.685 4.640 -0.000 0.000 0.241 436 D C 1.155 177.475 176.300 0.034 0.000 1.183 436 D CA -0.110 53.907 54.000 0.028 0.000 0.859 436 D CB 0.850 41.664 40.800 0.023 0.000 1.067 436 D HN 0.407 nan 8.370 nan 0.000 0.484 437 L N 3.139 124.384 121.223 0.037 0.000 2.201 437 L HA -0.116 4.223 4.340 -0.000 0.000 0.212 437 L C 2.266 179.164 176.870 0.046 0.000 1.105 437 L CA 1.001 55.868 54.840 0.045 0.000 0.775 437 L CB -0.266 41.822 42.059 0.048 0.000 0.913 437 L HN 0.443 nan 8.230 nan 0.000 0.440 438 A N 0.152 122.993 122.820 0.035 0.000 1.897 438 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 438 A C 2.411 180.013 177.584 0.031 0.000 1.181 438 A CA 1.046 53.101 52.037 0.031 0.000 0.620 438 A CB -0.264 18.747 19.000 0.020 0.000 0.821 438 A HN 0.286 nan 8.150 nan 0.000 0.443 439 R N 0.018 120.535 120.500 0.029 0.000 2.062 439 R HA -0.043 4.297 4.340 -0.000 0.000 0.226 439 R C 1.070 177.391 176.300 0.035 0.000 1.125 439 R CA 1.396 57.512 56.100 0.027 0.000 0.966 439 R CB -0.156 30.158 30.300 0.023 0.000 0.861 439 R HN 0.787 nan 8.270 nan 0.000 0.433 440 E N 0.228 120.454 120.200 0.042 0.000 2.609 440 E HA 0.145 4.495 4.350 -0.000 0.000 0.208 440 E C 1.039 177.680 176.600 0.069 0.000 1.013 440 E CA 0.015 56.446 56.400 0.052 0.000 1.093 440 E CB 0.834 30.561 29.700 0.046 0.000 1.129 440 E HN 0.230 nan 8.360 nan 0.000 0.450 441 G N 2.621 111.467 108.800 0.077 0.000 2.491 441 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.218 441 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.218 441 G C 1.423 176.409 174.900 0.144 0.000 1.180 441 G CA 0.960 46.120 45.100 0.099 0.000 0.774 441 G HN 0.203 nan 8.290 nan 0.000 0.562 442 N N 0.392 119.204 118.700 0.187 0.000 2.149 442 N HA -0.083 4.657 4.740 -0.000 0.000 0.188 442 N C 2.371 178.021 175.510 0.233 0.000 1.019 442 N CA 1.642 54.880 53.050 0.313 0.000 0.857 442 N CB -0.804 37.808 38.487 0.208 0.000 0.997 442 N HN 0.286 nan 8.380 nan 0.000 0.426 443 T N 1.284 115.919 114.554 0.135 0.000 2.746 443 T HA -0.006 4.344 4.350 -0.000 0.000 0.267 443 T C 2.056 176.807 174.700 0.084 0.000 1.039 443 T CA 0.736 62.895 62.100 0.099 0.000 1.142 443 T CB -0.227 68.684 68.868 0.072 0.000 0.866 443 T HN 0.193 nan 8.240 nan 0.000 0.444 444 I N 0.717 121.333 120.570 0.077 0.000 2.226 444 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 444 I C 2.197 178.323 176.117 0.015 0.000 1.100 444 I CA 0.940 62.273 61.300 0.055 0.000 1.374 444 I CB -0.359 37.674 38.000 0.054 0.000 1.057 444 I HN 0.188 nan 8.210 nan 0.000 0.413 445 I N 0.674 121.239 120.570 -0.009 0.000 2.163 445 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 445 I C 2.656 178.681 176.117 -0.153 0.000 1.081 445 I CA 1.590 62.796 61.300 -0.156 0.000 1.353 445 I CB -1.269 36.526 38.000 -0.343 0.000 1.054 445 I HN 0.227 nan 8.210 nan 0.000 0.407 446 R N 0.676 121.171 120.500 -0.008 0.000 2.105 446 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 446 R C 2.140 178.428 176.300 -0.021 0.000 1.135 446 R CA 1.400 57.514 56.100 0.023 0.000 0.967 446 R CB -0.267 30.109 30.300 0.126 0.000 0.861 446 R HN 0.495 nan 8.270 nan 0.000 0.442 447 E N 0.281 120.487 120.200 0.009 0.000 2.085 447 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 447 E C 1.998 178.594 176.600 -0.007 0.000 0.994 447 E CA 1.255 57.680 56.400 0.042 0.000 0.801 447 E CB -0.109 29.644 29.700 0.089 0.000 0.743 447 E HN 0.395 nan 8.360 nan 0.000 0.453 448 A N 1.170 123.909 122.820 -0.135 0.000 2.014 448 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 448 A C 2.393 179.485 177.584 -0.821 0.000 1.163 448 A CA 1.739 53.466 52.037 -0.517 0.000 0.652 448 A CB -0.850 17.902 19.000 -0.412 0.000 0.808 448 A HN 0.395 nan 8.150 nan 0.000 0.449 449 T N -1.597 112.693 114.554 -0.439 0.000 2.915 449 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 449 T C 1.608 176.150 174.700 -0.263 0.000 1.071 449 T CA 1.307 63.193 62.100 -0.357 0.000 1.132 449 T CB -0.309 68.431 68.868 -0.212 0.000 0.878 449 T HN 0.458 nan 8.240 nan 0.000 0.479 450 K N 0.767 121.061 120.400 -0.175 0.000 2.280 450 K HA -0.045 4.275 4.320 -0.000 0.000 0.202 450 K C 1.950 178.591 176.600 0.069 0.000 1.047 450 K CA 1.297 57.574 56.287 -0.017 0.000 0.942 450 K CB -0.212 32.330 32.500 0.071 0.000 0.739 450 K HN 0.852 nan 8.250 nan 0.000 0.457 451 W N -0.497 120.802 121.300 -0.000 0.000 2.725 451 W HA 0.333 4.993 4.660 -0.000 0.000 0.336 451 W C -0.056 176.466 176.519 0.004 0.000 1.012 451 W CA -0.450 56.898 57.345 0.004 0.000 1.566 451 W CB 0.092 29.552 29.460 0.001 0.000 1.068 451 W HN -0.194 nan 8.180 nan 0.000 0.546 452 S N 2.793 118.222 115.700 -0.452 0.000 2.601 452 S HA 0.401 4.871 4.470 -0.000 0.000 0.312 452 S C -1.654 172.815 174.600 -0.218 0.000 1.107 452 S CA -1.264 56.711 58.200 -0.374 0.000 1.129 452 S CB 1.436 64.164 63.200 -0.787 0.000 0.982 452 S HN -0.303 nan 8.310 nan 0.000 0.469 453 P HA -0.068 nan 4.420 nan 0.000 0.217 453 P C 0.957 178.146 177.300 -0.185 0.000 1.150 453 P CA 1.002 64.122 63.100 0.032 0.000 0.832 453 P CB 0.238 32.108 31.700 0.284 0.000 0.787 454 E N -0.665 119.432 120.200 -0.172 0.000 2.058 454 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 454 E C 1.848 178.270 176.600 -0.296 0.000 0.997 454 E CA 0.923 57.119 56.400 -0.340 0.000 0.801 454 E CB -1.278 28.313 29.700 -0.183 0.000 0.746 454 E HN 0.116 nan 8.360 nan 0.000 0.450 455 L N 0.303 121.353 121.223 -0.288 0.000 2.056 455 L HA -0.000 4.340 4.340 -0.000 0.000 0.207 455 L C 2.028 178.715 176.870 -0.304 0.000 1.078 455 L CA 1.927 56.584 54.840 -0.304 0.000 0.749 455 L CB -0.872 40.951 42.059 -0.393 0.000 0.901 455 L HN 0.111 nan 8.230 nan 0.000 0.433 456 A N -0.258 122.389 122.820 -0.290 0.000 1.883 456 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 456 A C 2.468 179.902 177.584 -0.250 0.000 1.186 456 A CA 2.046 53.949 52.037 -0.224 0.000 0.624 456 A CB -1.262 17.647 19.000 -0.153 0.000 0.822 456 A HN 0.575 nan 8.150 nan 0.000 0.444 457 A N -0.329 122.258 122.820 -0.388 0.000 1.933 457 A HA 0.149 4.469 4.320 -0.000 0.000 0.218 457 A C 2.492 179.731 177.584 -0.575 0.000 1.175 457 A CA 2.161 53.865 52.037 -0.554 0.000 0.628 457 A CB -0.955 17.363 19.000 -1.136 0.000 0.814 457 A HN 1.064 nan 8.150 nan 0.000 0.444 458 A N -0.988 121.561 122.820 -0.452 0.000 1.873 458 A HA -0.155 4.165 4.320 -0.000 0.000 0.215 458 A C 2.280 179.772 177.584 -0.153 0.000 1.186 458 A CA 1.603 53.465 52.037 -0.291 0.000 0.616 458 A CB -1.301 17.722 19.000 0.038 0.000 0.823 458 A HN 0.598 nan 8.150 nan 0.000 0.442 459 C N -0.294 118.917 119.300 -0.149 0.000 2.411 459 C HA -0.064 4.396 4.460 -0.000 0.000 0.279 459 C C 2.622 177.699 174.990 0.144 0.000 1.288 459 C CA 1.084 60.119 59.018 0.029 0.000 1.764 459 C CB -1.080 26.615 27.740 -0.075 0.000 1.974 459 C HN 0.564 nan 8.230 nan 0.000 0.498 460 E N 0.500 120.666 120.200 -0.056 0.000 2.150 460 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 460 E C 2.273 178.785 176.600 -0.147 0.000 0.985 460 E CA 1.004 57.357 56.400 -0.078 0.000 0.814 460 E CB -0.291 29.331 29.700 -0.130 0.000 0.752 460 E HN 0.528 nan 8.360 nan 0.000 0.466 461 V N -0.382 119.346 119.914 -0.310 0.000 2.446 461 V HA -0.118 4.002 4.120 -0.000 0.000 0.244 461 V C 1.975 177.786 176.094 -0.472 0.000 1.039 461 V CA 1.080 63.068 62.300 -0.520 0.000 1.045 461 V CB -0.295 30.931 31.823 -0.996 0.000 0.681 461 V HN 0.290 nan 8.190 nan 0.000 0.459 462 W N -0.065 121.182 121.300 -0.089 0.000 2.588 462 W HA 0.293 4.953 4.660 -0.000 0.000 0.277 462 W C 1.436 177.885 176.519 -0.115 0.000 1.221 462 W CA -0.181 57.050 57.345 -0.191 0.000 1.355 462 W CB -0.112 29.028 29.460 -0.532 0.000 1.083 462 W HN 0.126 nan 8.180 nan 0.000 0.581 463 K N 0.000 120.551 120.400 0.252 0.000 2.780 463 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 463 K CA 0.000 56.207 56.287 -0.133 0.000 0.838 463 K CB 0.000 32.100 32.500 -0.667 0.000 1.064 463 K HN 0.000 nan 8.250 nan 0.000 0.543