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 1esv_1_A DATA FIRST_RESID 6 DATA SEQUENCE TALVCDNGSG LVKAGFAGDD APRAVFPSIV GRPRXXXXXX XXXXXDSYVG DATA SEQUENCE DEAQSKRGIL TLKYPIEXGI ITNWDDMEKI WHHTFYNELR VAPEEHPTLL DATA SEQUENCE TEAPLNPKAN REKMTQIMFE TFNVPAMYVA IQAVLSLYAS GRTTGIVLDS DATA SEQUENCE GDGVTHNVPI YEGYALPHAI MRLDLAGRDL TDYLMKILTE RGYSFVTTAE DATA SEQUENCE REIVRDIKEK LCYVALDFEN EMATAASSSS LEKSYELPDG QVITIGNERF DATA SEQUENCE RCPETLFQPS FIGMESAGIH ETTYNSIMKC DIDIRKDLYA NNVMSGGTTM DATA SEQUENCE YPGIADRMQK EITALAPSTM KIKIIAPPER KYSVWIGGSI LASLSTFQQM DATA SEQUENCE WITKQEYDEA GPSIVHRKCF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.854 174.700 0.257 0.000 1.109 6 T CA 0.000 62.235 62.100 0.225 0.000 1.349 6 T CB 0.000 69.012 68.868 0.240 0.000 0.612 7 A N 3.462 126.386 122.820 0.174 0.000 2.371 7 A HA 0.826 5.146 4.320 -0.000 0.000 0.257 7 A C -0.105 177.553 177.584 0.123 0.000 1.089 7 A CA -0.407 51.713 52.037 0.138 0.000 0.794 7 A CB 0.209 19.371 19.000 0.270 0.000 1.029 7 A HN 0.768 nan 8.150 nan 0.000 0.488 8 L N 1.541 122.796 121.223 0.054 0.000 2.344 8 L HA 0.626 4.966 4.340 -0.000 0.000 0.272 8 L C -0.724 176.145 176.870 -0.002 0.000 1.035 8 L CA -0.897 53.913 54.840 -0.050 0.000 0.807 8 L CB 1.621 43.624 42.059 -0.093 0.000 1.237 8 L HN 0.383 nan 8.230 nan 0.000 0.442 9 V N 1.193 121.084 119.914 -0.039 0.000 2.531 9 V HA 0.332 4.452 4.120 -0.000 0.000 0.301 9 V C -0.834 175.319 176.094 0.098 0.000 1.034 9 V CA -0.532 61.709 62.300 -0.099 0.000 0.865 9 V CB 1.990 33.464 31.823 -0.581 0.000 0.995 9 V HN 0.892 nan 8.190 nan 0.000 0.424 10 C N 4.197 123.539 119.300 0.071 0.000 2.381 10 C HA 0.647 5.107 4.460 -0.000 0.000 0.328 10 C C -0.819 174.262 174.990 0.153 0.000 1.190 10 C CA -0.483 58.615 59.018 0.133 0.000 1.369 10 C CB 0.575 28.345 27.740 0.051 0.000 2.029 10 C HN 0.980 nan 8.230 nan 0.000 0.448 11 D N 4.600 125.123 120.400 0.205 0.000 2.460 11 D HA 0.283 4.923 4.640 -0.000 0.000 0.232 11 D C -0.354 175.997 176.300 0.085 0.000 1.079 11 D CA 0.069 54.163 54.000 0.156 0.000 0.864 11 D CB 0.443 41.372 40.800 0.215 0.000 1.048 11 D HN 0.574 nan 8.370 nan 0.000 0.523 12 N N 2.717 121.463 118.700 0.077 0.000 2.408 12 N HA 0.421 5.161 4.740 -0.000 0.000 0.257 12 N C 0.137 175.635 175.510 -0.021 0.000 1.064 12 N CA -0.148 52.903 53.050 0.001 0.000 0.952 12 N CB 1.773 40.274 38.487 0.024 0.000 1.093 12 N HN 0.480 nan 8.380 nan 0.000 0.490 13 G N 0.196 108.962 108.800 -0.058 0.000 2.552 13 G HA2 0.241 4.200 3.960 -0.000 0.000 0.324 13 G HA3 0.241 4.200 3.960 -0.000 0.000 0.324 13 G C 0.709 175.575 174.900 -0.056 0.000 1.217 13 G CA -0.412 44.663 45.100 -0.042 0.000 0.989 13 G HN 0.398 nan 8.290 nan 0.000 0.490 14 S N -0.420 115.252 115.700 -0.047 0.000 2.370 14 S HA -0.109 4.361 4.470 -0.000 0.000 0.226 14 S C 2.197 176.799 174.600 0.004 0.000 1.033 14 S CA 1.860 60.027 58.200 -0.055 0.000 1.011 14 S CB -0.202 62.938 63.200 -0.100 0.000 0.852 14 S HN 0.821 nan 8.310 nan 0.000 0.457 15 G N -0.223 108.577 108.800 -0.001 0.000 2.742 15 G HA2 0.411 4.371 3.960 -0.000 0.000 0.204 15 G HA3 0.411 4.371 3.960 -0.000 0.000 0.204 15 G C 0.217 175.130 174.900 0.022 0.000 1.126 15 G CA -0.226 44.919 45.100 0.075 0.000 0.829 15 G HN 0.313 nan 8.290 nan 0.000 0.574 16 L N 1.354 122.549 121.223 -0.045 0.000 2.346 16 L HA 0.540 4.880 4.340 -0.000 0.000 0.274 16 L C -0.707 176.044 176.870 -0.200 0.000 1.007 16 L CA -1.050 53.720 54.840 -0.117 0.000 0.818 16 L CB 2.783 44.807 42.059 -0.058 0.000 1.284 16 L HN -0.187 nan 8.230 nan 0.000 0.424 17 V N 2.461 122.123 119.914 -0.421 0.000 2.498 17 V HA 0.259 4.379 4.120 -0.000 0.000 0.279 17 V C -0.176 175.707 176.094 -0.351 0.000 1.048 17 V CA -0.497 61.489 62.300 -0.522 0.000 0.967 17 V CB 1.272 32.404 31.823 -1.151 0.000 0.988 17 V HN 0.591 nan 8.190 nan 0.000 0.473 18 K N 3.866 124.179 120.400 -0.146 0.000 2.507 18 K HA 0.773 5.093 4.320 -0.000 0.000 0.253 18 K C -0.462 176.106 176.600 -0.053 0.000 0.969 18 K CA 0.115 56.337 56.287 -0.108 0.000 0.908 18 K CB 1.838 34.338 32.500 0.001 0.000 1.127 18 K HN 0.879 nan 8.250 nan 0.000 0.437 19 A N 1.759 124.501 122.820 -0.129 0.000 2.469 19 A HA 0.974 5.293 4.320 -0.000 0.000 0.299 19 A C -0.361 177.155 177.584 -0.114 0.000 1.098 19 A CA -0.291 51.749 52.037 0.006 0.000 0.737 19 A CB 1.743 20.763 19.000 0.034 0.000 1.312 19 A HN 0.712 nan 8.150 nan 0.000 0.414 20 G N -0.847 107.962 108.800 0.015 0.000 2.323 20 G HA2 0.499 4.459 3.960 -0.000 0.000 0.291 20 G HA3 0.499 4.459 3.960 -0.000 0.000 0.291 20 G C -1.635 173.142 174.900 -0.206 0.000 1.278 20 G CA -0.750 44.277 45.100 -0.122 0.000 0.860 20 G HN 0.683 nan 8.290 nan 0.000 0.504 21 F N 1.421 121.581 119.950 0.350 0.000 2.421 21 F HA 0.680 5.207 4.527 -0.000 0.000 0.337 21 F C 1.024 176.938 175.800 0.190 0.000 1.105 21 F CA -0.131 57.986 58.000 0.195 0.000 1.049 21 F CB 1.970 41.025 39.000 0.092 0.000 1.139 21 F HN 0.665 nan 8.300 nan 0.000 0.479 22 A N 1.999 124.924 122.820 0.174 0.000 2.524 22 A HA 0.448 4.768 4.320 -0.000 0.000 0.250 22 A C 1.185 178.817 177.584 0.079 0.000 1.078 22 A CA 0.821 52.862 52.037 0.006 0.000 0.761 22 A CB -0.739 18.273 19.000 0.020 0.000 1.012 22 A HN 1.477 nan 8.150 nan 0.000 0.500 23 G N 2.329 111.146 108.800 0.028 0.000 2.349 23 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.213 23 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.213 23 G C 0.015 174.988 174.900 0.122 0.000 1.044 23 G CA 0.201 45.341 45.100 0.067 0.000 0.633 23 G HN 0.772 nan 8.290 nan 0.000 0.506 24 D N 1.552 122.094 120.400 0.236 0.000 2.357 24 D HA 0.417 5.057 4.640 -0.000 0.000 0.242 24 D C 1.206 177.707 176.300 0.335 0.000 1.153 24 D CA 0.368 54.538 54.000 0.283 0.000 0.918 24 D CB 0.843 41.865 40.800 0.370 0.000 1.181 24 D HN 0.403 nan 8.370 nan 0.000 0.435 25 D N -0.761 119.770 120.400 0.218 0.000 2.339 25 D HA 0.180 4.820 4.640 -0.000 0.000 0.217 25 D C -0.132 176.295 176.300 0.213 0.000 1.050 25 D CA -0.225 53.895 54.000 0.202 0.000 0.856 25 D CB 0.237 41.100 40.800 0.105 0.000 0.922 25 D HN 0.286 nan 8.370 nan 0.000 0.518 26 A N 0.425 123.296 122.820 0.084 0.000 2.608 26 A HA 0.563 4.883 4.320 -0.000 0.000 0.292 26 A C -2.968 173.976 177.584 -1.066 0.000 1.066 26 A CA -1.363 50.446 52.037 -0.380 0.000 0.676 26 A CB 1.275 20.088 19.000 -0.312 0.000 1.277 26 A HN -0.074 nan 8.150 nan 0.000 0.413 27 P HA 0.178 nan 4.420 nan 0.000 0.271 27 P C 0.150 177.011 177.300 -0.732 0.000 1.226 27 P CA 0.083 62.218 63.100 -1.608 0.000 0.765 27 P CB 0.808 31.621 31.700 -1.478 0.000 0.835 28 R N 2.216 122.468 120.500 -0.414 0.000 2.235 28 R HA 0.099 4.439 4.340 -0.000 0.000 0.213 28 R C 0.473 176.683 176.300 -0.151 0.000 1.059 28 R CA 0.733 56.729 56.100 -0.173 0.000 0.997 28 R CB 0.200 30.523 30.300 0.039 0.000 0.884 28 R HN 0.566 nan 8.270 nan 0.000 0.462 29 A N 0.391 123.100 122.820 -0.184 0.000 2.402 29 A HA 0.515 4.835 4.320 -0.000 0.000 0.291 29 A C -1.189 176.399 177.584 0.007 0.000 1.051 29 A CA -0.536 51.483 52.037 -0.031 0.000 0.716 29 A CB 1.818 20.844 19.000 0.043 0.000 1.223 29 A HN -0.031 nan 8.150 nan 0.000 0.425 30 V N 3.560 123.526 119.914 0.087 0.000 2.525 30 V HA 0.774 4.894 4.120 -0.000 0.000 0.299 30 V C -0.850 175.378 176.094 0.223 0.000 1.034 30 V CA -0.372 61.971 62.300 0.070 0.000 0.863 30 V CB 0.771 32.605 31.823 0.017 0.000 0.999 30 V HN 1.030 nan 8.190 nan 0.000 0.423 31 F N 4.088 124.037 119.950 -0.001 0.000 2.686 31 F HA 0.863 5.390 4.527 -0.000 0.000 0.311 31 F C -3.061 172.741 175.800 0.003 0.000 1.128 31 F CA -2.710 55.296 58.000 0.011 0.000 0.946 31 F CB 1.653 40.676 39.000 0.038 0.000 1.336 31 F HN 0.277 nan 8.300 nan 0.000 0.457 32 P HA 0.020 nan 4.420 nan 0.000 0.271 32 P C -0.334 176.921 177.300 -0.075 0.000 1.220 32 P CA 0.070 63.172 63.100 0.003 0.000 0.768 32 P CB 1.577 33.290 31.700 0.022 0.000 0.848 33 S N 4.263 119.887 115.700 -0.127 0.000 3.919 33 S HA 0.353 4.822 4.470 -0.000 0.000 0.245 33 S C 0.319 174.831 174.600 -0.148 0.000 1.344 33 S CA -0.703 57.407 58.200 -0.150 0.000 0.896 33 S CB -1.896 61.227 63.200 -0.128 0.000 1.557 33 S HN 0.371 nan 8.310 nan 0.000 0.468 34 I N 0.421 120.886 120.570 -0.174 0.000 2.722 34 I HA 0.732 4.902 4.170 -0.000 0.000 0.295 34 I C -1.367 174.645 176.117 -0.175 0.000 1.161 34 I CA -1.194 59.938 61.300 -0.280 0.000 1.032 34 I CB 2.292 40.060 38.000 -0.387 0.000 1.244 34 I HN -0.029 nan 8.210 nan 0.000 0.421 35 V N 4.017 123.831 119.914 -0.168 0.000 2.487 35 V HA 0.760 4.880 4.120 -0.000 0.000 0.298 35 V C 0.554 176.586 176.094 -0.104 0.000 1.028 35 V CA -0.356 61.877 62.300 -0.112 0.000 0.860 35 V CB 1.590 33.366 31.823 -0.079 0.000 0.991 35 V HN 0.978 nan 8.190 nan 0.000 0.427 36 G N 4.036 112.785 108.800 -0.085 0.000 2.372 36 G HA2 0.705 4.664 3.960 -0.000 0.000 0.323 36 G HA3 0.705 4.664 3.960 -0.000 0.000 0.323 36 G C -0.627 174.247 174.900 -0.043 0.000 1.152 36 G CA -0.642 44.419 45.100 -0.066 0.000 0.906 36 G HN 0.619 nan 8.290 nan 0.000 0.460 37 R N 2.496 122.976 120.500 -0.032 0.000 2.599 37 R HA 0.365 4.705 4.340 -0.000 0.000 0.295 37 R C -2.643 173.648 176.300 -0.014 0.000 0.963 37 R CA -1.809 54.280 56.100 -0.019 0.000 0.883 37 R CB 2.428 32.720 30.300 -0.013 0.000 1.171 37 R HN 0.297 nan 8.270 nan 0.000 0.450 38 P HA -0.178 nan 4.420 nan 0.000 0.259 38 P C 0.063 177.361 177.300 -0.005 0.000 1.155 38 P CA 0.719 63.815 63.100 -0.007 0.000 0.759 38 P CB 0.375 32.072 31.700 -0.004 0.000 0.753 52 S N -2.750 112.946 115.700 -0.006 0.000 2.587 52 S HA 0.732 5.202 4.470 -0.000 0.000 0.269 52 S C -0.544 174.047 174.600 -0.015 0.000 1.154 52 S CA -0.195 57.998 58.200 -0.012 0.000 0.824 52 S CB 0.837 64.029 63.200 -0.012 0.000 1.118 52 S HN 1.818 nan 8.310 nan 0.000 0.462 53 Y N -1.403 118.875 120.300 -0.036 0.000 2.485 53 Y HA 0.947 5.497 4.550 -0.000 0.000 0.345 53 Y C -0.058 175.777 175.900 -0.109 0.000 0.998 53 Y CA -1.177 56.887 58.100 -0.060 0.000 1.059 53 Y CB 0.607 39.035 38.460 -0.054 0.000 1.234 53 Y HN 1.671 nan 8.280 nan 0.000 0.461 54 V N 1.910 121.700 119.914 -0.206 0.000 2.495 54 V HA 0.819 4.939 4.120 -0.000 0.000 0.298 54 V C 0.896 176.754 176.094 -0.393 0.000 1.031 54 V CA -0.382 61.721 62.300 -0.328 0.000 0.871 54 V CB 1.003 32.511 31.823 -0.526 0.000 0.988 54 V HN 2.747 nan 8.190 nan 0.000 0.432 55 G N 3.254 111.969 108.800 -0.142 0.000 2.672 55 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.324 55 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.324 55 G C 0.627 175.511 174.900 -0.027 0.000 1.286 55 G CA 1.073 46.192 45.100 0.032 0.000 1.004 55 G HN 2.388 nan 8.290 nan 0.000 0.548 56 D N 0.707 121.121 120.400 0.024 0.000 2.422 56 D HA 0.592 5.232 4.640 -0.000 0.000 0.263 56 D C 1.177 177.463 176.300 -0.024 0.000 1.334 56 D CA 2.107 56.116 54.000 0.015 0.000 1.105 56 D CB -1.228 39.599 40.800 0.045 0.000 1.107 56 D HN 2.031 nan 8.370 nan 0.000 0.522 57 E N -1.714 118.466 120.200 -0.033 0.000 1.153 57 E HA 0.248 4.598 4.350 -0.000 0.000 0.209 57 E C 1.636 178.211 176.600 -0.042 0.000 1.048 57 E CA 1.053 57.432 56.400 -0.034 0.000 0.949 57 E CB -1.406 28.271 29.700 -0.038 0.000 4.847 57 E HN 1.536 nan 8.360 nan 0.000 0.614 58 A N 0.374 123.155 122.820 -0.064 0.000 1.969 58 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 58 A C 2.247 179.798 177.584 -0.055 0.000 1.169 58 A CA 2.398 54.395 52.037 -0.067 0.000 0.635 58 A CB -0.123 18.821 19.000 -0.095 0.000 0.810 58 A HN 0.501 nan 8.150 nan 0.000 0.445 59 Q N 0.346 120.118 119.800 -0.046 0.000 2.230 59 Q HA 0.004 4.344 4.340 -0.000 0.000 0.202 59 Q C 2.072 178.061 176.000 -0.017 0.000 0.963 59 Q CA 1.959 57.743 55.803 -0.032 0.000 0.866 59 Q CB -0.746 27.980 28.738 -0.019 0.000 0.931 59 Q HN 0.621 nan 8.270 nan 0.000 0.452 60 S N 0.722 116.413 115.700 -0.016 0.000 2.361 60 S HA -0.133 4.337 4.470 -0.000 0.000 0.214 60 S C 1.736 176.330 174.600 -0.010 0.000 1.034 60 S CA 1.614 59.809 58.200 -0.009 0.000 1.025 60 S CB -0.453 62.743 63.200 -0.008 0.000 0.996 60 S HN 0.270 nan 8.310 nan 0.000 0.422 61 K N 1.403 121.794 120.400 -0.015 0.000 2.632 61 K HA 0.201 4.521 4.320 -0.000 0.000 0.196 61 K C 1.937 178.528 176.600 -0.016 0.000 1.023 61 K CA 0.464 56.742 56.287 -0.014 0.000 1.098 61 K CB -0.415 32.076 32.500 -0.016 0.000 0.862 61 K HN 0.421 nan 8.250 nan 0.000 0.504 62 R N 0.549 121.039 120.500 -0.017 0.000 2.377 62 R HA 0.002 4.342 4.340 -0.000 0.000 0.207 62 R C 1.937 178.231 176.300 -0.010 0.000 1.075 62 R CA 1.460 57.549 56.100 -0.018 0.000 1.035 62 R CB -1.261 29.028 30.300 -0.018 0.000 0.857 62 R HN 0.435 nan 8.270 nan 0.000 0.475 63 G N 0.831 109.628 108.800 -0.006 0.000 2.426 63 G HA2 0.007 3.966 3.960 -0.000 0.000 0.214 63 G HA3 0.007 3.966 3.960 -0.000 0.000 0.214 63 G C 1.606 176.504 174.900 -0.003 0.000 1.156 63 G CA 0.910 46.009 45.100 -0.002 0.000 0.802 63 G HN 0.710 nan 8.290 nan 0.000 0.534 64 I N -0.578 119.989 120.570 -0.005 0.000 2.400 64 I HA 0.284 4.454 4.170 -0.000 0.000 0.248 64 I C 0.148 176.261 176.117 -0.008 0.000 1.109 64 I CA 0.176 61.473 61.300 -0.005 0.000 1.425 64 I CB 0.009 38.006 38.000 -0.005 0.000 1.094 64 I HN -0.004 nan 8.210 nan 0.000 0.425 65 L N 0.001 121.217 121.223 -0.013 0.000 2.346 65 L HA 0.645 4.984 4.340 -0.000 0.000 0.276 65 L C -0.034 176.824 176.870 -0.021 0.000 1.006 65 L CA -0.703 54.127 54.840 -0.017 0.000 0.817 65 L CB 0.581 42.627 42.059 -0.022 0.000 1.272 65 L HN -0.168 nan 8.230 nan 0.000 0.421 66 T N 3.878 118.420 114.554 -0.018 0.000 2.940 66 T HA 0.477 4.826 4.350 -0.000 0.000 0.309 66 T C 0.087 174.763 174.700 -0.039 0.000 1.056 66 T CA 0.346 62.434 62.100 -0.021 0.000 1.137 66 T CB 0.038 68.899 68.868 -0.012 0.000 0.976 66 T HN 0.454 nan 8.240 nan 0.000 0.547 67 L N 3.476 124.667 121.223 -0.053 0.000 2.346 67 L HA 0.663 5.002 4.340 -0.000 0.000 0.274 67 L C -0.085 176.721 176.870 -0.106 0.000 1.007 67 L CA -0.971 53.810 54.840 -0.098 0.000 0.818 67 L CB 1.614 43.593 42.059 -0.132 0.000 1.284 67 L HN 0.524 nan 8.230 nan 0.000 0.424 68 K N 1.399 121.715 120.400 -0.139 0.000 2.508 68 K HA 0.491 4.811 4.320 -0.000 0.000 0.260 68 K C -1.689 174.809 176.600 -0.169 0.000 0.949 68 K CA -0.712 55.518 56.287 -0.094 0.000 0.834 68 K CB 1.891 34.375 32.500 -0.027 0.000 1.365 68 K HN 0.203 nan 8.250 nan 0.000 0.437 69 Y N 1.816 122.077 120.300 -0.065 0.000 2.535 69 Y HA 0.152 4.702 4.550 -0.000 0.000 0.349 69 Y C -1.578 174.250 175.900 -0.119 0.000 0.992 69 Y CA -1.916 56.131 58.100 -0.089 0.000 1.248 69 Y CB 0.524 38.937 38.460 -0.078 0.000 1.124 69 Y HN 0.533 nan 8.280 nan 0.000 0.520 70 P HA -0.133 nan 4.420 nan 0.000 0.220 70 P C -0.036 177.158 177.300 -0.176 0.000 1.148 70 P CA 1.412 64.428 63.100 -0.140 0.000 0.803 70 P CB 0.532 32.096 31.700 -0.226 0.000 0.782 71 I N 0.094 120.590 120.570 -0.124 0.000 2.336 71 I HA 0.202 4.372 4.170 -0.000 0.000 0.292 71 I C 0.609 176.675 176.117 -0.085 0.000 0.991 71 I CA -0.488 60.731 61.300 -0.135 0.000 1.227 71 I CB 1.467 39.389 38.000 -0.132 0.000 1.366 71 I HN -0.087 nan 8.210 nan 0.000 0.466 75 I N 2.226 122.789 120.570 -0.012 0.000 2.437 75 I HA 0.477 4.647 4.170 -0.000 0.000 0.298 75 I C 0.401 176.451 176.117 -0.111 0.000 0.984 75 I CA -1.689 59.598 61.300 -0.022 0.000 1.214 75 I CB 1.370 39.377 38.000 0.011 0.000 1.365 75 I HN -0.066 nan 8.210 nan 0.000 0.469 76 I N 4.589 125.050 120.570 -0.182 0.000 2.533 76 I HA 0.058 4.228 4.170 -0.000 0.000 0.284 76 I C 1.144 176.978 176.117 -0.472 0.000 1.109 76 I CA 0.546 61.568 61.300 -0.463 0.000 1.412 76 I CB 0.616 38.101 38.000 -0.858 0.000 1.396 76 I HN 0.647 nan 8.210 nan 0.000 0.543 77 T N 3.245 117.542 114.554 -0.429 0.000 2.966 77 T HA 0.084 4.434 4.350 -0.000 0.000 0.254 77 T C 0.419 174.971 174.700 -0.245 0.000 0.961 77 T CA 0.074 62.024 62.100 -0.250 0.000 0.915 77 T CB 0.089 68.886 68.868 -0.118 0.000 1.186 77 T HN 0.459 nan 8.240 nan 0.000 0.505 78 N N 0.348 118.851 118.700 -0.328 0.000 2.626 78 N HA 0.177 4.917 4.740 -0.000 0.000 0.249 78 N C -0.101 175.269 175.510 -0.234 0.000 1.021 78 N CA -0.465 52.473 53.050 -0.186 0.000 0.886 78 N CB 0.542 38.970 38.487 -0.098 0.000 1.149 78 N HN 0.223 nan 8.380 nan 0.000 0.517 79 W N 1.875 123.187 121.300 0.020 0.000 2.358 79 W HA -0.083 4.576 4.660 -0.000 0.000 0.303 79 W C 1.673 178.218 176.519 0.044 0.000 1.208 79 W CA 0.432 57.802 57.345 0.042 0.000 1.274 79 W CB 0.213 29.721 29.460 0.080 0.000 1.138 79 W HN 0.462 nan 8.180 nan 0.000 0.515 80 D N 0.217 120.759 120.400 0.237 0.000 2.092 80 D HA -0.182 4.458 4.640 -0.000 0.000 0.193 80 D C 1.476 177.833 176.300 0.095 0.000 0.994 80 D CA 1.745 55.840 54.000 0.158 0.000 0.828 80 D CB -0.565 40.301 40.800 0.110 0.000 0.963 80 D HN 0.142 nan 8.370 nan 0.000 0.450 81 D N -0.089 120.327 120.400 0.026 0.000 2.183 81 D HA -0.094 4.546 4.640 -0.000 0.000 0.203 81 D C 1.993 178.246 176.300 -0.077 0.000 0.969 81 D CA 0.348 54.334 54.000 -0.022 0.000 0.842 81 D CB -0.248 40.518 40.800 -0.057 0.000 0.957 81 D HN 0.133 nan 8.370 nan 0.000 0.484 82 M N 0.978 120.482 119.600 -0.160 0.000 2.159 82 M HA -0.110 4.370 4.480 -0.000 0.000 0.263 82 M C 1.676 177.816 176.300 -0.267 0.000 1.063 82 M CA 1.547 56.612 55.300 -0.391 0.000 1.110 82 M CB -0.243 31.979 32.600 -0.629 0.000 1.374 82 M HN -0.116 nan 8.290 nan 0.000 0.411 83 E N -0.177 120.090 120.200 0.111 0.000 2.204 83 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 83 E C 1.996 178.837 176.600 0.403 0.000 0.990 83 E CA 1.678 58.334 56.400 0.427 0.000 0.821 83 E CB -0.007 29.931 29.700 0.397 0.000 0.750 83 E HN 0.694 nan 8.360 nan 0.000 0.477 84 K N 0.744 121.265 120.400 0.200 0.000 2.103 84 K HA -0.072 4.248 4.320 -0.000 0.000 0.204 84 K C 1.813 178.553 176.600 0.235 0.000 1.052 84 K CA 1.007 57.423 56.287 0.214 0.000 0.945 84 K CB -0.590 31.968 32.500 0.097 0.000 0.722 84 K HN 0.024 nan 8.250 nan 0.000 0.443 85 I N -0.257 120.351 120.570 0.064 0.000 2.151 85 I HA -0.272 3.898 4.170 -0.000 0.000 0.243 85 I C 2.466 178.669 176.117 0.144 0.000 1.080 85 I CA 1.393 62.711 61.300 0.031 0.000 1.339 85 I CB -1.053 36.794 38.000 -0.254 0.000 1.039 85 I HN 0.476 nan 8.210 nan 0.000 0.409 86 W N 0.571 121.930 121.300 0.099 0.000 2.381 86 W HA -0.189 4.471 4.660 0.000 0.000 0.301 86 W C 2.802 179.188 176.519 -0.223 0.000 1.205 86 W CA 1.323 58.545 57.345 -0.205 0.000 1.285 86 W CB -1.493 27.849 29.460 -0.196 0.000 1.133 86 W HN 0.356 nan 8.180 nan 0.000 0.521 87 H N -1.242 118.082 119.070 0.423 0.000 2.319 87 H HA -0.243 4.313 4.556 -0.000 0.000 0.299 87 H C 2.270 177.871 175.328 0.455 0.000 1.092 87 H CA 2.729 59.135 56.048 0.597 0.000 1.302 87 H CB -0.505 29.642 29.762 0.641 0.000 1.373 87 H HN 0.098 nan 8.280 nan 0.000 0.497 88 H N -0.835 118.433 119.070 0.330 0.000 2.387 88 H HA -0.098 4.458 4.556 -0.000 0.000 0.299 88 H C 2.062 177.393 175.328 0.005 0.000 1.090 88 H CA 2.149 58.290 56.048 0.155 0.000 1.332 88 H CB -0.300 29.517 29.762 0.093 0.000 1.386 88 H HN 0.338 nan 8.280 nan 0.000 0.516 89 T N -0.136 114.438 114.554 0.033 0.000 2.643 89 T HA -0.151 4.199 4.350 -0.000 0.000 0.264 89 T C 1.759 176.307 174.700 -0.254 0.000 1.045 89 T CA 1.775 63.820 62.100 -0.091 0.000 1.155 89 T CB -0.529 68.302 68.868 -0.062 0.000 0.863 89 T HN 0.299 nan 8.240 nan 0.000 0.420 90 F N -0.633 119.171 119.950 -0.243 0.000 2.146 90 F HA -0.013 4.514 4.527 -0.000 0.000 0.298 90 F C 2.155 177.655 175.800 -0.500 0.000 1.096 90 F CA 0.979 58.701 58.000 -0.465 0.000 1.275 90 F CB -0.302 38.249 39.000 -0.748 0.000 1.008 90 F HN 0.198 nan 8.300 nan 0.000 0.480 91 Y N -0.714 119.556 120.300 -0.050 0.000 2.301 91 Y HA 0.013 4.563 4.550 -0.000 0.000 0.295 91 Y C 1.954 177.773 175.900 -0.135 0.000 1.126 91 Y CA 0.994 59.038 58.100 -0.093 0.000 1.154 91 Y CB -0.304 38.053 38.460 -0.172 0.000 1.075 91 Y HN -0.045 nan 8.280 nan 0.000 0.534 92 N N -0.903 117.711 118.700 -0.144 0.000 2.432 92 N HA -0.070 4.670 4.740 -0.000 0.000 0.174 92 N C 1.285 176.563 175.510 -0.386 0.000 1.037 92 N CA 0.471 53.352 53.050 -0.282 0.000 0.892 92 N CB 0.288 38.509 38.487 -0.443 0.000 1.049 92 N HN 0.243 nan 8.380 nan 0.000 0.442 93 E N 0.601 120.495 120.200 -0.510 0.000 2.099 93 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 93 E C 1.508 178.003 176.600 -0.175 0.000 0.962 93 E CA 0.533 56.703 56.400 -0.382 0.000 0.826 93 E CB 0.080 29.484 29.700 -0.492 0.000 0.788 93 E HN 0.146 nan 8.360 nan 0.000 0.461 94 L N 0.625 121.757 121.223 -0.151 0.000 2.307 94 L HA 0.143 4.483 4.340 -0.000 0.000 0.211 94 L C 0.335 177.227 176.870 0.036 0.000 1.099 94 L CA 0.647 55.442 54.840 -0.075 0.000 0.816 94 L CB -0.172 41.774 42.059 -0.189 0.000 0.952 94 L HN 0.068 nan 8.230 nan 0.000 0.455 95 R N -0.224 120.264 120.500 -0.020 0.000 3.264 95 R HA -0.127 4.213 4.340 -0.000 0.000 0.251 95 R C -0.436 175.887 176.300 0.038 0.000 0.971 95 R CA 0.755 56.868 56.100 0.021 0.000 0.658 95 R CB -2.595 27.728 30.300 0.038 0.000 1.095 95 R HN 0.256 nan 8.270 nan 0.000 0.443 96 V N -3.466 116.426 119.914 -0.036 0.000 3.001 96 V HA 0.904 5.024 4.120 -0.000 0.000 0.314 96 V C 0.181 176.193 176.094 -0.136 0.000 1.099 96 V CA -0.579 61.722 62.300 0.002 0.000 0.989 96 V CB 2.367 34.164 31.823 -0.042 0.000 1.040 96 V HN 0.295 nan 8.190 nan 0.000 0.434 97 A N 4.060 126.879 122.820 -0.001 0.000 2.376 97 A HA 0.674 4.994 4.320 -0.000 0.000 0.298 97 A C -1.249 176.232 177.584 -0.173 0.000 1.271 97 A CA -1.333 50.653 52.037 -0.085 0.000 0.926 97 A CB 0.086 19.081 19.000 -0.009 0.000 1.141 97 A HN 0.840 nan 8.150 nan 0.000 0.539 98 P HA -0.213 nan 4.420 nan 0.000 0.219 98 P C 1.083 178.148 177.300 -0.392 0.000 1.146 98 P CA 1.310 63.966 63.100 -0.738 0.000 0.808 98 P CB 0.135 30.939 31.700 -1.493 0.000 0.779 99 E N 0.386 120.439 120.200 -0.245 0.000 2.516 99 E HA -0.145 4.205 4.350 -0.000 0.000 0.199 99 E C 0.638 177.120 176.600 -0.196 0.000 1.069 99 E CA 0.865 57.163 56.400 -0.171 0.000 0.876 99 E CB -0.362 29.287 29.700 -0.084 0.000 0.843 99 E HN 0.295 nan 8.360 nan 0.000 0.530 100 E N 0.666 120.693 120.200 -0.288 0.000 2.562 100 E HA 0.130 4.480 4.350 -0.000 0.000 0.214 100 E C -0.256 176.001 176.600 -0.572 0.000 0.979 100 E CA -0.098 56.058 56.400 -0.408 0.000 1.002 100 E CB 0.442 29.875 29.700 -0.445 0.000 1.048 100 E HN 0.400 nan 8.360 nan 0.000 0.488 101 H N 0.874 119.829 119.070 -0.191 0.000 2.609 101 H HA 0.329 4.884 4.556 -0.000 0.000 0.344 101 H C -2.533 172.628 175.328 -0.277 0.000 1.040 101 H CA -2.231 53.704 56.048 -0.189 0.000 1.216 101 H CB 1.721 31.416 29.762 -0.111 0.000 1.529 101 H HN -0.199 nan 8.280 nan 0.000 0.519 102 P HA -0.019 nan 4.420 nan 0.000 0.262 102 P C -0.225 176.871 177.300 -0.340 0.000 1.182 102 P CA 0.457 63.180 63.100 -0.627 0.000 0.761 102 P CB 0.533 31.406 31.700 -1.379 0.000 0.795 103 T N 4.247 118.715 114.554 -0.143 0.000 2.809 103 T HA 0.446 4.796 4.350 -0.000 0.000 0.284 103 T C -0.367 174.524 174.700 0.318 0.000 0.992 103 T CA -0.467 61.681 62.100 0.081 0.000 0.957 103 T CB 0.460 69.340 68.868 0.021 0.000 0.942 103 T HN 0.217 nan 8.240 nan 0.000 0.439 104 L N 5.251 126.680 121.223 0.344 0.000 2.275 104 L HA 0.687 5.027 4.340 -0.000 0.000 0.288 104 L C -1.302 175.649 176.870 0.135 0.000 1.046 104 L CA -0.506 54.515 54.840 0.301 0.000 0.805 104 L CB 0.398 42.554 42.059 0.162 0.000 1.193 104 L HN 0.568 nan 8.230 nan 0.000 0.426 105 L N 3.291 124.598 121.223 0.139 0.000 2.286 105 L HA 0.727 5.067 4.340 -0.000 0.000 0.265 105 L C 0.122 177.060 176.870 0.113 0.000 1.012 105 L CA -0.567 54.335 54.840 0.103 0.000 0.818 105 L CB 2.248 44.353 42.059 0.078 0.000 1.337 105 L HN 0.647 nan 8.230 nan 0.000 0.438 106 T N -2.280 112.342 114.554 0.113 0.000 2.930 106 T HA 0.790 5.140 4.350 -0.000 0.000 0.290 106 T C -0.872 173.886 174.700 0.097 0.000 1.052 106 T CA -0.753 61.399 62.100 0.087 0.000 1.017 106 T CB 2.074 70.981 68.868 0.065 0.000 1.137 106 T HN 0.763 nan 8.240 nan 0.000 0.511 107 E N 0.379 120.618 120.200 0.064 0.000 2.413 107 E HA 0.658 5.008 4.350 -0.000 0.000 0.277 107 E C -0.820 175.791 176.600 0.017 0.000 0.958 107 E CA -1.636 54.802 56.400 0.063 0.000 0.779 107 E CB 1.632 31.376 29.700 0.074 0.000 1.278 107 E HN 0.873 nan 8.360 nan 0.000 0.456 108 A N 1.688 124.516 122.820 0.014 0.000 2.366 108 A HA 0.464 4.783 4.320 -0.000 0.000 0.249 108 A C -2.216 175.291 177.584 -0.128 0.000 1.084 108 A CA -1.266 50.737 52.037 -0.057 0.000 0.794 108 A CB -0.465 18.551 19.000 0.026 0.000 1.034 108 A HN 0.494 nan 8.150 nan 0.000 0.491 109 P HA 0.270 nan 4.420 nan 0.000 0.264 109 P C -0.039 177.165 177.300 -0.160 0.000 1.193 109 P CA 0.441 63.378 63.100 -0.272 0.000 0.763 109 P CB 0.118 31.544 31.700 -0.455 0.000 0.810 110 L N -1.024 120.166 121.223 -0.054 0.000 4.140 110 L HA -0.246 4.094 4.340 -0.000 0.000 0.406 110 L C 0.459 177.350 176.870 0.035 0.000 1.175 110 L CA -0.129 54.712 54.840 0.002 0.000 0.939 110 L CB -2.224 39.843 42.059 0.013 0.000 2.105 110 L HN 0.417 nan 8.230 nan 0.000 0.803 111 N N 2.093 120.817 118.700 0.041 0.000 2.411 111 N HA 0.196 4.936 4.740 -0.000 0.000 0.261 111 N C -2.017 173.552 175.510 0.099 0.000 1.248 111 N CA -0.768 52.330 53.050 0.080 0.000 0.885 111 N CB 0.604 39.146 38.487 0.090 0.000 1.062 111 N HN 0.006 nan 8.380 nan 0.000 0.471 112 P HA -0.044 nan 4.420 nan 0.000 0.265 112 P C 0.642 178.026 177.300 0.140 0.000 1.187 112 P CA 0.026 63.194 63.100 0.114 0.000 0.766 112 P CB 0.543 32.317 31.700 0.123 0.000 0.820 113 K N 2.457 122.938 120.400 0.134 0.000 2.059 113 K HA -0.273 4.047 4.320 -0.000 0.000 0.212 113 K C 1.836 178.569 176.600 0.222 0.000 1.050 113 K CA 2.156 58.565 56.287 0.203 0.000 0.927 113 K CB -0.554 32.023 32.500 0.128 0.000 0.714 113 K HN 0.527 nan 8.250 nan 0.000 0.447 114 A N 1.169 124.082 122.820 0.154 0.000 1.972 114 A HA -0.185 4.134 4.320 -0.000 0.000 0.219 114 A C 1.672 179.326 177.584 0.117 0.000 1.169 114 A CA 1.816 53.923 52.037 0.116 0.000 0.635 114 A CB -0.510 18.539 19.000 0.082 0.000 0.810 114 A HN 0.349 nan 8.150 nan 0.000 0.446 115 N N 0.021 118.846 118.700 0.209 0.000 2.142 115 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 115 N C 1.809 177.493 175.510 0.290 0.000 1.023 115 N CA 1.646 54.912 53.050 0.360 0.000 0.852 115 N CB -0.332 38.402 38.487 0.412 0.000 0.998 115 N HN 0.595 nan 8.380 nan 0.000 0.424 116 R N 0.900 121.517 120.500 0.194 0.000 2.096 116 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 116 R C 1.606 177.941 176.300 0.058 0.000 1.127 116 R CA 1.233 57.406 56.100 0.121 0.000 0.968 116 R CB -0.440 29.886 30.300 0.045 0.000 0.861 116 R HN 0.492 nan 8.270 nan 0.000 0.440 117 E N 1.312 121.535 120.200 0.038 0.000 2.072 117 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 117 E C 1.882 178.502 176.600 0.034 0.000 0.982 117 E CA 0.622 57.036 56.400 0.023 0.000 0.803 117 E CB -0.072 29.662 29.700 0.056 0.000 0.755 117 E HN 0.265 nan 8.360 nan 0.000 0.453 118 K N 0.988 121.359 120.400 -0.048 0.000 2.097 118 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 118 K C 2.285 178.856 176.600 -0.047 0.000 1.049 118 K CA 1.144 57.298 56.287 -0.222 0.000 0.933 118 K CB -0.086 31.952 32.500 -0.771 0.000 0.717 118 K HN 0.114 nan 8.250 nan 0.000 0.442 119 M N 0.351 120.055 119.600 0.173 0.000 2.159 119 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 119 M C 1.468 177.839 176.300 0.117 0.000 1.063 119 M CA 1.787 57.282 55.300 0.325 0.000 1.110 119 M CB -0.125 32.737 32.600 0.436 0.000 1.374 119 M HN 0.015 nan 8.290 nan 0.000 0.411 120 T N 0.441 115.064 114.554 0.114 0.000 2.821 120 T HA -0.205 4.144 4.350 -0.000 0.000 0.267 120 T C 1.696 176.486 174.700 0.150 0.000 1.046 120 T CA 1.697 63.880 62.100 0.140 0.000 1.139 120 T CB -0.314 68.688 68.868 0.223 0.000 0.871 120 T HN 0.577 nan 8.240 nan 0.000 0.454 121 Q N 0.597 120.498 119.800 0.167 0.000 2.050 121 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 121 Q C 2.334 178.374 176.000 0.068 0.000 0.980 121 Q CA 1.352 57.254 55.803 0.164 0.000 0.840 121 Q CB -0.326 28.517 28.738 0.176 0.000 0.898 121 Q HN 0.516 nan 8.270 nan 0.000 0.424 122 I N 0.553 121.175 120.570 0.088 0.000 2.118 122 I HA -0.343 3.827 4.170 -0.000 0.000 0.241 122 I C 2.570 178.749 176.117 0.104 0.000 1.070 122 I CA 1.120 62.495 61.300 0.125 0.000 1.327 122 I CB -0.315 37.868 38.000 0.305 0.000 1.034 122 I HN 0.357 nan 8.210 nan 0.000 0.405 123 M N -0.405 119.209 119.600 0.024 0.000 2.108 123 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 123 M C 2.334 178.512 176.300 -0.204 0.000 1.066 123 M CA 2.102 57.358 55.300 -0.075 0.000 1.107 123 M CB -1.019 31.390 32.600 -0.317 0.000 1.356 123 M HN 0.170 nan 8.290 nan 0.000 0.406 124 F N 0.115 119.922 119.950 -0.239 0.000 2.473 124 F HA -0.017 4.510 4.527 -0.000 0.000 0.294 124 F C 2.374 178.037 175.800 -0.228 0.000 1.103 124 F CA 0.708 58.496 58.000 -0.353 0.000 1.442 124 F CB -0.179 38.289 39.000 -0.887 0.000 1.097 124 F HN 0.234 nan 8.300 nan 0.000 0.547 125 E N -0.601 119.597 120.200 -0.003 0.000 2.079 125 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 125 E C 2.160 178.743 176.600 -0.029 0.000 0.961 125 E CA 1.678 58.093 56.400 0.025 0.000 0.823 125 E CB -0.524 29.214 29.700 0.063 0.000 0.789 125 E HN 0.333 nan 8.360 nan 0.000 0.459 126 T N -1.875 112.620 114.554 -0.099 0.000 3.067 126 T HA 0.064 4.413 4.350 -0.000 0.000 0.257 126 T C 1.323 175.750 174.700 -0.455 0.000 1.105 126 T CA 0.392 62.324 62.100 -0.279 0.000 1.104 126 T CB -0.174 68.458 68.868 -0.394 0.000 0.925 126 T HN 0.020 nan 8.240 nan 0.000 0.498 127 F N 0.689 120.663 119.950 0.040 0.000 2.728 127 F HA 0.421 4.947 4.527 -0.000 0.000 0.314 127 F C 0.889 176.610 175.800 -0.132 0.000 1.094 127 F CA -0.839 57.144 58.000 -0.030 0.000 1.217 127 F CB 0.037 38.996 39.000 -0.068 0.000 1.056 127 F HN 0.067 nan 8.300 nan 0.000 0.577 128 N N 0.387 119.103 118.700 0.027 0.000 2.741 128 N HA -0.172 4.568 4.740 -0.000 0.000 0.250 128 N C -0.201 175.266 175.510 -0.072 0.000 1.115 128 N CA 0.561 53.611 53.050 0.000 0.000 0.724 128 N CB -1.126 37.367 38.487 0.011 0.000 1.090 128 N HN 0.117 nan 8.380 nan 0.000 0.558 129 V N -1.938 117.860 119.914 -0.193 0.000 2.901 129 V HA 0.199 4.319 4.120 -0.000 0.000 0.307 129 V C -0.762 175.220 176.094 -0.186 0.000 1.084 129 V CA -0.365 61.760 62.300 -0.292 0.000 1.184 129 V CB 0.855 32.410 31.823 -0.447 0.000 0.941 129 V HN 0.006 nan 8.190 nan 0.000 0.493 130 P HA 0.264 nan 4.420 nan 0.000 0.230 130 P C 0.269 177.592 177.300 0.037 0.000 1.168 130 P CA 1.384 64.462 63.100 -0.037 0.000 0.793 130 P CB 0.434 32.064 31.700 -0.116 0.000 0.851 131 A N -0.762 121.984 122.820 -0.122 0.000 2.604 131 A HA 0.796 5.116 4.320 -0.000 0.000 0.295 131 A C -1.184 176.329 177.584 -0.119 0.000 1.067 131 A CA -0.490 51.521 52.037 -0.043 0.000 0.683 131 A CB 1.679 20.507 19.000 -0.287 0.000 1.281 131 A HN -0.007 nan 8.150 nan 0.000 0.407 132 M N 1.009 120.759 119.600 0.250 0.000 2.603 132 M HA 0.632 5.112 4.480 -0.000 0.000 0.275 132 M C -2.557 174.104 176.300 0.603 0.000 1.226 132 M CA -0.368 55.105 55.300 0.289 0.000 0.870 132 M CB 2.260 34.735 32.600 -0.208 0.000 1.716 132 M HN 1.124 nan 8.290 nan 0.000 0.482 133 Y N 1.356 121.879 120.300 0.372 0.000 2.558 133 Y HA 0.657 5.207 4.550 0.000 0.000 0.333 133 Y C -1.978 174.016 175.900 0.156 0.000 1.125 133 Y CA -0.535 57.711 58.100 0.243 0.000 1.039 133 Y CB 1.733 40.287 38.460 0.156 0.000 1.331 133 Y HN 0.392 nan 8.280 nan 0.000 0.456 134 V N 4.372 124.169 119.914 -0.196 0.000 2.531 134 V HA 0.924 5.043 4.120 -0.000 0.000 0.301 134 V C -0.496 175.547 176.094 -0.085 0.000 1.034 134 V CA -0.387 61.889 62.300 -0.041 0.000 0.865 134 V CB 1.133 32.937 31.823 -0.032 0.000 0.995 134 V HN 0.931 nan 8.190 nan 0.000 0.424 135 A N 4.708 127.613 122.820 0.143 0.000 2.380 135 A HA 0.908 5.227 4.320 -0.000 0.000 0.315 135 A C -0.576 177.038 177.584 0.050 0.000 1.101 135 A CA -0.800 51.329 52.037 0.153 0.000 0.771 135 A CB 0.992 20.139 19.000 0.245 0.000 1.287 135 A HN 0.795 nan 8.150 nan 0.000 0.436 136 I N 1.975 122.551 120.570 0.010 0.000 2.533 136 I HA -0.019 4.151 4.170 -0.000 0.000 0.284 136 I C 1.445 177.520 176.117 -0.070 0.000 1.109 136 I CA 0.121 61.399 61.300 -0.036 0.000 1.412 136 I CB 0.752 38.719 38.000 -0.055 0.000 1.396 136 I HN 0.891 nan 8.210 nan 0.000 0.543 137 Q N 4.981 124.750 119.800 -0.053 0.000 2.014 137 Q HA -0.274 4.066 4.340 -0.000 0.000 0.207 137 Q C 2.299 178.251 176.000 -0.079 0.000 0.993 137 Q CA 2.345 58.122 55.803 -0.043 0.000 0.850 137 Q CB -0.272 28.460 28.738 -0.010 0.000 0.916 137 Q HN 0.911 nan 8.270 nan 0.000 0.417 138 A N 0.134 122.898 122.820 -0.093 0.000 2.024 138 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 138 A C 2.299 179.780 177.584 -0.171 0.000 1.164 138 A CA 1.459 53.435 52.037 -0.101 0.000 0.643 138 A CB -0.596 18.348 19.000 -0.093 0.000 0.806 138 A HN 0.243 nan 8.150 nan 0.000 0.451 139 V N -0.181 119.586 119.914 -0.244 0.000 2.453 139 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 139 V C 2.468 178.155 176.094 -0.678 0.000 1.048 139 V CA 1.555 63.580 62.300 -0.458 0.000 1.049 139 V CB -0.598 30.942 31.823 -0.471 0.000 0.672 139 V HN 0.579 nan 8.190 nan 0.000 0.457 140 L N -0.279 120.700 121.223 -0.406 0.000 2.083 140 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 140 L C 2.572 179.357 176.870 -0.142 0.000 1.083 140 L CA 1.570 56.255 54.840 -0.258 0.000 0.752 140 L CB -0.544 41.437 42.059 -0.129 0.000 0.899 140 L HN 0.309 nan 8.230 nan 0.000 0.433 141 S N -0.173 115.458 115.700 -0.116 0.000 2.406 141 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 141 S C 1.811 176.388 174.600 -0.038 0.000 1.020 141 S CA 0.851 59.025 58.200 -0.043 0.000 0.965 141 S CB -0.162 63.022 63.200 -0.027 0.000 0.798 141 S HN 0.227 nan 8.310 nan 0.000 0.488 142 L N 0.844 122.005 121.223 -0.103 0.000 2.056 142 L HA -0.028 4.311 4.340 -0.000 0.000 0.207 142 L C 1.875 178.788 176.870 0.072 0.000 1.078 142 L CA 1.681 56.493 54.840 -0.046 0.000 0.749 142 L CB -0.643 41.359 42.059 -0.095 0.000 0.901 142 L HN 0.401 nan 8.230 nan 0.000 0.433 143 Y N -0.916 119.345 120.300 -0.064 0.000 2.165 143 Y HA -0.289 4.261 4.550 0.000 0.000 0.286 143 Y C 2.505 178.367 175.900 -0.062 0.000 1.155 143 Y CA 0.350 58.402 58.100 -0.080 0.000 1.164 143 Y CB -0.419 37.972 38.460 -0.115 0.000 0.978 143 Y HN 0.363 nan 8.280 nan 0.000 0.513 144 A N -0.092 122.797 122.820 0.115 0.000 2.019 144 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 144 A C 2.138 179.753 177.584 0.052 0.000 1.164 144 A CA 1.695 53.769 52.037 0.062 0.000 0.644 144 A CB -0.772 18.262 19.000 0.056 0.000 0.805 144 A HN 0.434 nan 8.150 nan 0.000 0.449 145 S N -1.030 114.702 115.700 0.052 0.000 2.671 145 S HA 0.375 4.845 4.470 -0.000 0.000 0.220 145 S C 1.161 175.784 174.600 0.037 0.000 0.951 145 S CA 0.858 59.083 58.200 0.041 0.000 0.932 145 S CB -0.862 62.359 63.200 0.036 0.000 0.777 145 S HN 1.926 nan 8.310 nan 0.000 0.508 146 G N 1.075 109.897 108.800 0.037 0.000 2.272 146 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.280 146 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.280 146 G C -0.105 174.807 174.900 0.020 0.000 1.067 146 G CA 0.127 45.237 45.100 0.016 0.000 0.902 146 G HN 0.672 nan 8.290 nan 0.000 0.500 147 R N -1.705 118.824 120.500 0.049 0.000 2.771 147 R HA 0.681 5.021 4.340 -0.000 0.000 0.274 147 R C 1.249 177.597 176.300 0.080 0.000 0.987 147 R CA -0.213 55.914 56.100 0.045 0.000 0.908 147 R CB 1.260 31.587 30.300 0.044 0.000 1.213 147 R HN 0.291 nan 8.270 nan 0.000 0.468 148 T N -3.461 111.115 114.554 0.037 0.000 2.990 148 T HA 0.153 4.503 4.350 -0.000 0.000 0.249 148 T C 0.457 175.173 174.700 0.025 0.000 1.039 148 T CA 0.232 62.360 62.100 0.047 0.000 1.036 148 T CB 0.500 69.343 68.868 -0.042 0.000 0.994 148 T HN 0.390 nan 8.240 nan 0.000 0.489 149 T N 1.079 115.641 114.554 0.013 0.000 2.848 149 T HA 0.727 5.077 4.350 -0.000 0.000 0.285 149 T C -0.182 174.548 174.700 0.051 0.000 0.995 149 T CA -0.190 61.929 62.100 0.033 0.000 0.970 149 T CB 1.574 70.459 68.868 0.028 0.000 0.976 149 T HN 0.746 nan 8.240 nan 0.000 0.441 150 G N 1.573 110.405 108.800 0.054 0.000 2.324 150 G HA2 0.428 4.388 3.960 -0.000 0.000 0.293 150 G HA3 0.428 4.388 3.960 -0.000 0.000 0.293 150 G C -2.113 172.792 174.900 0.008 0.000 1.297 150 G CA -0.861 44.259 45.100 0.033 0.000 0.853 150 G HN 0.838 nan 8.290 nan 0.000 0.535 151 I N 0.726 121.290 120.570 -0.010 0.000 2.378 151 I HA 0.631 4.801 4.170 -0.000 0.000 0.291 151 I C -0.421 175.685 176.117 -0.018 0.000 0.992 151 I CA -1.062 60.220 61.300 -0.029 0.000 1.154 151 I CB 1.542 39.506 38.000 -0.060 0.000 1.315 151 I HN 0.320 nan 8.210 nan 0.000 0.448 152 V N 8.025 127.924 119.914 -0.025 0.000 2.432 152 V HA 0.204 4.324 4.120 -0.000 0.000 0.275 152 V C -0.092 175.998 176.094 -0.008 0.000 1.043 152 V CA -0.590 61.699 62.300 -0.018 0.000 0.925 152 V CB 1.309 33.111 31.823 -0.034 0.000 0.985 152 V HN 0.527 nan 8.190 nan 0.000 0.466 153 L N 4.900 126.122 121.223 -0.001 0.000 2.259 153 L HA 0.577 4.917 4.340 -0.000 0.000 0.288 153 L C -0.518 176.355 176.870 0.004 0.000 1.051 153 L CA 0.256 55.095 54.840 -0.002 0.000 0.824 153 L CB 0.850 42.903 42.059 -0.010 0.000 1.206 153 L HN 0.640 nan 8.230 nan 0.000 0.429 154 D N 2.684 123.097 120.400 0.022 0.000 2.344 154 D HA 0.477 5.116 4.640 -0.000 0.000 0.239 154 D C -1.230 175.080 176.300 0.015 0.000 1.064 154 D CA 0.157 54.175 54.000 0.030 0.000 0.829 154 D CB 1.485 42.319 40.800 0.058 0.000 1.129 154 D HN 0.421 nan 8.370 nan 0.000 0.506 155 S N 2.498 118.195 115.700 -0.006 0.000 2.775 155 S HA 0.676 5.145 4.470 -0.000 0.000 0.277 155 S C 0.161 174.746 174.600 -0.024 0.000 1.156 155 S CA -0.446 57.737 58.200 -0.030 0.000 1.081 155 S CB 0.481 63.658 63.200 -0.037 0.000 1.054 155 S HN 0.493 nan 8.310 nan 0.000 0.482 156 G N 2.647 111.428 108.800 -0.032 0.000 3.227 156 G HA2 0.240 4.200 3.960 -0.000 0.000 0.171 156 G HA3 0.240 4.200 3.960 -0.000 0.000 0.171 156 G C 0.344 175.218 174.900 -0.043 0.000 1.463 156 G CA 0.085 45.165 45.100 -0.033 0.000 1.016 156 G HN 0.598 nan 8.290 nan 0.000 0.594 157 D N -1.310 119.058 120.400 -0.053 0.000 2.201 157 D HA 0.115 4.755 4.640 -0.000 0.000 0.209 157 D C 2.259 178.500 176.300 -0.099 0.000 0.961 157 D CA 1.508 55.467 54.000 -0.068 0.000 0.861 157 D CB -0.055 40.704 40.800 -0.069 0.000 0.997 157 D HN 0.349 nan 8.370 nan 0.000 0.486 158 G N -0.811 107.925 108.800 -0.106 0.000 2.781 158 G HA2 0.322 4.282 3.960 -0.000 0.000 0.208 158 G HA3 0.322 4.282 3.960 -0.000 0.000 0.208 158 G C 0.054 174.882 174.900 -0.120 0.000 1.099 158 G CA 0.472 45.496 45.100 -0.127 0.000 0.776 158 G HN 0.222 nan 8.290 nan 0.000 0.532 159 V N -2.319 117.525 119.914 -0.116 0.000 3.159 159 V HA 0.787 4.907 4.120 -0.000 0.000 0.308 159 V C -0.921 175.064 176.094 -0.182 0.000 1.190 159 V CA -0.888 61.304 62.300 -0.180 0.000 1.037 159 V CB 1.483 33.153 31.823 -0.255 0.000 1.060 159 V HN -0.105 nan 8.190 nan 0.000 0.437 160 T N 1.014 115.407 114.554 -0.267 0.000 2.841 160 T HA 0.697 5.047 4.350 -0.000 0.000 0.285 160 T C -1.065 173.426 174.700 -0.348 0.000 0.991 160 T CA -0.238 61.730 62.100 -0.221 0.000 0.966 160 T CB 0.795 69.563 68.868 -0.166 0.000 0.962 160 T HN 0.905 nan 8.240 nan 0.000 0.438 161 H N 1.483 120.521 119.070 -0.054 0.000 2.690 161 H HA 0.476 5.032 4.556 -0.000 0.000 0.368 161 H C -0.412 174.883 175.328 -0.056 0.000 1.150 161 H CA -0.757 55.260 56.048 -0.052 0.000 1.174 161 H CB 1.302 31.038 29.762 -0.044 0.000 1.684 161 H HN 0.460 nan 8.280 nan 0.000 0.538 162 N N 1.178 119.925 118.700 0.079 0.000 2.444 162 N HA 0.382 5.122 4.740 -0.000 0.000 0.262 162 N C -1.471 174.039 175.510 0.000 0.000 0.974 162 N CA -0.401 52.658 53.050 0.016 0.000 0.933 162 N CB 1.451 39.926 38.487 -0.020 0.000 1.137 162 N HN 0.156 nan 8.380 nan 0.000 0.498 163 V N 4.303 124.205 119.914 -0.021 0.000 2.325 163 V HA 0.422 4.542 4.120 -0.000 0.000 0.280 163 V C -2.278 173.782 176.094 -0.058 0.000 1.016 163 V CA -1.782 60.487 62.300 -0.052 0.000 0.818 163 V CB 1.223 33.005 31.823 -0.068 0.000 1.019 163 V HN 0.556 nan 8.190 nan 0.000 0.434 164 P HA 0.532 nan 4.420 nan 0.000 0.279 164 P C -0.749 176.540 177.300 -0.019 0.000 1.239 164 P CA -0.134 62.931 63.100 -0.059 0.000 0.789 164 P CB 1.100 32.741 31.700 -0.099 0.000 0.933 165 I N 2.851 123.435 120.570 0.024 0.000 2.619 165 I HA 0.406 4.576 4.170 -0.000 0.000 0.292 165 I C -1.048 175.167 176.117 0.163 0.000 1.100 165 I CA -0.898 60.444 61.300 0.069 0.000 1.043 165 I CB 2.259 40.260 38.000 0.002 0.000 1.239 165 I HN 0.318 nan 8.210 nan 0.000 0.420 166 Y N 4.856 125.194 120.300 0.064 0.000 2.346 166 Y HA 0.277 4.827 4.550 0.000 0.000 0.332 166 Y C 0.251 176.225 175.900 0.123 0.000 0.985 166 Y CA -0.465 57.681 58.100 0.076 0.000 1.112 166 Y CB 1.328 39.830 38.460 0.070 0.000 1.170 166 Y HN 0.704 nan 8.280 nan 0.000 0.447 167 E N 4.281 124.166 120.200 -0.525 0.000 2.294 167 E HA -0.312 4.037 4.350 -0.000 0.000 0.228 167 E C 0.997 177.586 176.600 -0.018 0.000 1.253 167 E CA 1.134 57.319 56.400 -0.359 0.000 0.716 167 E CB -1.275 28.104 29.700 -0.534 0.000 1.184 167 E HN 1.199 nan 8.360 nan 0.000 0.374 168 G N -1.468 107.352 108.800 0.032 0.000 2.238 168 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 168 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 168 G C -0.294 174.496 174.900 -0.183 0.000 0.996 168 G CA 0.089 45.193 45.100 0.006 0.000 0.632 168 G HN 0.238 nan 8.290 nan 0.000 0.503 169 Y N 0.906 121.252 120.300 0.077 0.000 2.462 169 Y HA 0.739 5.289 4.550 -0.000 0.000 0.346 169 Y C 0.624 176.572 175.900 0.079 0.000 0.976 169 Y CA -0.491 57.660 58.100 0.085 0.000 1.044 169 Y CB 1.904 40.430 38.460 0.109 0.000 1.230 169 Y HN 0.467 nan 8.280 nan 0.000 0.455 170 A N 2.757 125.681 122.820 0.173 0.000 2.425 170 A HA 0.490 4.810 4.320 -0.000 0.000 0.242 170 A C -0.699 176.953 177.584 0.114 0.000 1.077 170 A CA -0.311 51.779 52.037 0.089 0.000 0.781 170 A CB -0.032 18.983 19.000 0.026 0.000 1.020 170 A HN 0.771 nan 8.150 nan 0.000 0.494 171 L N 3.040 124.281 121.223 0.030 0.000 2.314 171 L HA 0.280 4.620 4.340 -0.000 0.000 0.275 171 L C -1.807 174.979 176.870 -0.139 0.000 1.068 171 L CA -1.378 53.450 54.840 -0.020 0.000 0.894 171 L CB 1.297 43.304 42.059 -0.087 0.000 1.275 171 L HN 0.503 nan 8.230 nan 0.000 0.432 172 P HA -0.205 nan 4.420 nan 0.000 0.218 172 P C 1.386 178.664 177.300 -0.036 0.000 1.148 172 P CA 1.304 64.401 63.100 -0.005 0.000 0.822 172 P CB -0.074 31.661 31.700 0.059 0.000 0.784 173 H N -1.156 117.917 119.070 0.006 0.000 2.521 173 H HA 0.191 4.746 4.556 -0.000 0.000 0.286 173 H C 1.132 176.454 175.328 -0.010 0.000 1.034 173 H CA 1.357 57.403 56.048 -0.004 0.000 1.278 173 H CB -0.441 29.315 29.762 -0.009 0.000 1.386 173 H HN 0.070 nan 8.280 nan 0.000 0.567 174 A N 1.124 123.597 122.820 -0.579 0.000 2.431 174 A HA 0.305 4.624 4.320 -0.000 0.000 0.239 174 A C 0.881 178.352 177.584 -0.189 0.000 1.230 174 A CA -0.543 51.267 52.037 -0.377 0.000 0.928 174 A CB 0.020 18.709 19.000 -0.517 0.000 1.006 174 A HN 0.202 nan 8.150 nan 0.000 0.520 175 I N 2.037 122.522 120.570 -0.141 0.000 2.648 175 I HA 0.067 4.237 4.170 -0.000 0.000 0.284 175 I C 0.018 176.125 176.117 -0.016 0.000 1.153 175 I CA 0.464 61.724 61.300 -0.066 0.000 1.426 175 I CB 0.768 38.737 38.000 -0.051 0.000 1.381 175 I HN 0.236 nan 8.210 nan 0.000 0.571 176 M N 7.030 126.636 119.600 0.009 0.000 2.268 176 M HA 0.442 4.922 4.480 -0.000 0.000 0.344 176 M C -0.376 175.967 176.300 0.071 0.000 1.106 176 M CA -0.387 54.924 55.300 0.018 0.000 1.010 176 M CB 1.538 34.128 32.600 -0.018 0.000 1.649 176 M HN 0.545 nan 8.290 nan 0.000 0.443 177 R N 2.778 123.301 120.500 0.038 0.000 2.589 177 R HA 0.787 5.127 4.340 -0.000 0.000 0.293 177 R C -1.884 174.335 176.300 -0.134 0.000 0.963 177 R CA -0.714 55.350 56.100 -0.060 0.000 0.905 177 R CB 1.586 31.897 30.300 0.018 0.000 1.144 177 R HN 0.657 nan 8.270 nan 0.000 0.459 178 L N 3.514 124.600 121.223 -0.228 0.000 2.528 178 L HA 0.361 4.701 4.340 -0.000 0.000 0.267 178 L C -1.002 175.756 176.870 -0.187 0.000 0.961 178 L CA -0.128 54.611 54.840 -0.169 0.000 0.866 178 L CB 2.157 44.127 42.059 -0.150 0.000 1.248 178 L HN 0.666 nan 8.230 nan 0.000 0.404 179 D N 3.045 123.360 120.400 -0.143 0.000 2.371 179 D HA 0.078 4.718 4.640 -0.000 0.000 0.234 179 D C 0.120 176.346 176.300 -0.122 0.000 1.049 179 D CA 0.580 54.501 54.000 -0.131 0.000 0.907 179 D CB -0.037 40.705 40.800 -0.097 0.000 0.891 179 D HN 0.347 nan 8.370 nan 0.000 0.531 180 L N 0.114 121.260 121.223 -0.127 0.000 2.265 180 L HA 0.588 4.928 4.340 -0.000 0.000 0.288 180 L C -0.159 176.637 176.870 -0.124 0.000 1.058 180 L CA -0.187 54.580 54.840 -0.122 0.000 0.809 180 L CB 0.473 42.453 42.059 -0.131 0.000 1.179 180 L HN -0.041 nan 8.230 nan 0.000 0.429 181 A N 3.651 126.410 122.820 -0.102 0.000 4.642 181 A HA 0.634 4.954 4.320 -0.000 0.000 0.248 181 A C 0.985 178.542 177.584 -0.046 0.000 0.987 181 A CA 0.005 51.995 52.037 -0.080 0.000 0.622 181 A CB -0.479 18.470 19.000 -0.086 0.000 1.769 181 A HN 0.776 nan 8.150 nan 0.000 0.864 182 G N -0.205 108.579 108.800 -0.026 0.000 2.553 182 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 182 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 182 G C 1.501 176.397 174.900 -0.007 0.000 1.195 182 G CA 1.620 46.722 45.100 0.003 0.000 0.779 182 G HN 0.717 nan 8.290 nan 0.000 0.577 183 R N 0.006 120.478 120.500 -0.046 0.000 2.073 183 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 183 R C 2.329 178.613 176.300 -0.026 0.000 1.134 183 R CA 1.651 57.721 56.100 -0.051 0.000 0.952 183 R CB -0.330 29.903 30.300 -0.113 0.000 0.850 183 R HN 0.268 nan 8.270 nan 0.000 0.433 184 D N -0.128 120.250 120.400 -0.037 0.000 2.158 184 D HA -0.162 4.478 4.640 -0.000 0.000 0.197 184 D C 1.511 177.822 176.300 0.019 0.000 0.995 184 D CA 0.924 54.911 54.000 -0.020 0.000 0.846 184 D CB 0.043 40.811 40.800 -0.053 0.000 0.941 184 D HN 0.092 nan 8.370 nan 0.000 0.456 185 L N 0.095 121.330 121.223 0.021 0.000 2.131 185 L HA -0.024 4.316 4.340 -0.000 0.000 0.206 185 L C 2.381 179.310 176.870 0.098 0.000 1.087 185 L CA 1.322 56.199 54.840 0.063 0.000 0.767 185 L CB -1.162 40.932 42.059 0.057 0.000 0.917 185 L HN 0.012 nan 8.230 nan 0.000 0.441 186 T N -0.377 114.211 114.554 0.057 0.000 2.652 186 T HA -0.190 4.159 4.350 -0.000 0.000 0.267 186 T C 1.361 176.077 174.700 0.027 0.000 1.039 186 T CA 1.635 63.750 62.100 0.024 0.000 1.153 186 T CB -0.279 68.589 68.868 0.001 0.000 0.863 186 T HN 0.271 nan 8.240 nan 0.000 0.428 187 D N -0.294 120.134 120.400 0.046 0.000 2.315 187 D HA -0.091 4.548 4.640 -0.000 0.000 0.211 187 D C 1.333 177.700 176.300 0.112 0.000 0.977 187 D CA 0.900 54.937 54.000 0.063 0.000 0.894 187 D CB -0.135 40.703 40.800 0.064 0.000 0.910 187 D HN 0.533 nan 8.370 nan 0.000 0.490 188 Y N 0.039 120.340 120.300 0.002 0.000 2.500 188 Y HA 0.083 4.633 4.550 -0.000 0.000 0.284 188 Y C 1.846 177.756 175.900 0.017 0.000 1.118 188 Y CA -0.068 58.044 58.100 0.019 0.000 1.241 188 Y CB -0.212 38.268 38.460 0.034 0.000 1.171 188 Y HN -0.131 nan 8.280 nan 0.000 0.540 189 L N 1.228 122.463 121.223 0.019 0.000 1.944 189 L HA -0.238 4.102 4.340 -0.000 0.000 0.218 189 L C 1.908 178.692 176.870 -0.143 0.000 1.075 189 L CA 2.303 57.091 54.840 -0.086 0.000 0.767 189 L CB -1.142 40.879 42.059 -0.064 0.000 0.890 189 L HN 0.358 nan 8.230 nan 0.000 0.434 190 M N -0.141 119.379 119.600 -0.133 0.000 3.715 190 M HA -0.119 4.361 4.480 -0.000 0.000 0.153 190 M C 0.793 177.092 176.300 -0.003 0.000 1.764 190 M CA 1.355 56.592 55.300 -0.105 0.000 1.803 190 M CB -0.831 31.711 32.600 -0.097 0.000 1.383 190 M HN 0.664 nan 8.290 nan 0.000 0.477 191 K N -0.804 119.575 120.400 -0.035 0.000 2.116 191 K HA 0.029 4.349 4.320 -0.000 0.000 0.125 191 K C 0.632 177.167 176.600 -0.108 0.000 2.138 191 K CA -0.070 56.194 56.287 -0.039 0.000 1.184 191 K CB -0.102 32.368 32.500 -0.050 0.000 2.323 191 K HN 0.328 nan 8.250 nan 0.000 0.469 192 I N 1.553 121.985 120.570 -0.231 0.000 2.716 192 I HA 0.036 4.206 4.170 -0.000 0.000 0.259 192 I C 1.605 177.685 176.117 -0.062 0.000 1.172 192 I CA 0.440 61.595 61.300 -0.240 0.000 1.478 192 I CB 0.103 37.838 38.000 -0.441 0.000 1.104 192 I HN 0.233 nan 8.210 nan 0.000 0.439 193 L N 0.213 121.460 121.223 0.039 0.000 2.027 193 L HA -0.165 4.175 4.340 -0.000 0.000 0.206 193 L C 2.820 179.870 176.870 0.300 0.000 1.074 193 L CA 2.446 57.442 54.840 0.259 0.000 0.745 193 L CB -1.462 40.783 42.059 0.310 0.000 0.898 193 L HN 0.445 nan 8.230 nan 0.000 0.433 194 T N -3.267 111.448 114.554 0.268 0.000 2.849 194 T HA -0.216 4.134 4.350 -0.000 0.000 0.270 194 T C 1.745 176.425 174.700 -0.034 0.000 1.066 194 T CA 1.433 63.607 62.100 0.124 0.000 1.130 194 T CB -0.232 68.709 68.868 0.122 0.000 0.864 194 T HN 0.191 nan 8.240 nan 0.000 0.481 195 E N 0.690 120.869 120.200 -0.035 0.000 2.209 195 E HA -0.012 4.337 4.350 -0.000 0.000 0.196 195 E C 2.466 178.995 176.600 -0.119 0.000 0.993 195 E CA 0.811 57.168 56.400 -0.072 0.000 0.819 195 E CB -0.176 29.482 29.700 -0.071 0.000 0.745 195 E HN 0.520 nan 8.360 nan 0.000 0.477 196 R N -1.734 118.663 120.500 -0.171 0.000 2.153 196 R HA 0.065 4.405 4.340 -0.000 0.000 0.218 196 R C 0.889 176.908 176.300 -0.468 0.000 1.072 196 R CA 1.018 56.942 56.100 -0.293 0.000 0.990 196 R CB 0.400 30.522 30.300 -0.297 0.000 0.889 196 R HN 0.272 nan 8.270 nan 0.000 0.452 197 G N -0.910 107.592 108.800 -0.496 0.000 2.240 197 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.181 197 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.181 197 G C -0.521 174.149 174.900 -0.384 0.000 1.028 197 G CA -0.708 44.151 45.100 -0.401 0.000 0.760 197 G HN 0.085 nan 8.290 nan 0.000 0.508 198 Y N 1.419 121.690 120.300 -0.050 0.000 2.545 198 Y HA 0.708 5.258 4.550 -0.000 0.000 0.324 198 Y C 1.683 177.398 175.900 -0.308 0.000 1.220 198 Y CA -0.452 57.528 58.100 -0.199 0.000 1.290 198 Y CB 0.758 39.120 38.460 -0.163 0.000 1.355 198 Y HN 0.224 nan 8.280 nan 0.000 0.516 199 S N -0.132 115.311 115.700 -0.428 0.000 2.163 199 S HA 0.234 4.704 4.470 -0.000 0.000 0.151 199 S C -0.537 173.903 174.600 -0.266 0.000 1.382 199 S CA 0.008 57.987 58.200 -0.368 0.000 2.383 199 S CB -0.589 62.389 63.200 -0.370 0.000 0.325 199 S HN 0.572 nan 8.310 nan 0.000 0.349 200 F N -0.921 119.063 119.950 0.057 0.000 2.195 200 F HA 0.125 4.652 4.527 -0.000 0.000 0.491 200 F C -0.141 175.678 175.800 0.031 0.000 1.250 200 F CA 0.243 58.267 58.000 0.041 0.000 1.581 200 F CB -1.473 37.553 39.000 0.042 0.000 2.495 200 F HN 0.885 nan 8.300 nan 0.000 0.735 201 V N 0.422 120.449 119.914 0.189 0.000 5.666 201 V HA 0.592 4.712 4.120 -0.000 0.000 0.491 201 V C -0.251 175.894 176.094 0.085 0.000 1.502 201 V CA 0.464 62.832 62.300 0.114 0.000 2.650 201 V CB 0.524 32.397 31.823 0.082 0.000 0.152 201 V HN 1.404 nan 8.190 nan 0.000 0.495 202 T N -1.272 113.338 114.554 0.093 0.000 2.853 202 T HA 0.908 5.258 4.350 -0.000 0.000 0.311 202 T C 0.556 175.299 174.700 0.072 0.000 1.307 202 T CA 0.362 62.506 62.100 0.073 0.000 1.019 202 T CB 1.307 70.216 68.868 0.069 0.000 1.264 202 T HN 1.752 nan 8.240 nan 0.000 0.497 203 T N 0.177 114.766 114.554 0.059 0.000 3.509 203 T HA 0.584 4.934 4.350 -0.000 0.000 0.250 203 T C 1.230 175.963 174.700 0.055 0.000 1.076 203 T CA 1.495 63.631 62.100 0.059 0.000 0.966 203 T CB -0.596 68.302 68.868 0.050 0.000 1.046 203 T HN 1.413 nan 8.240 nan 0.000 0.591 204 A N -0.973 121.884 122.820 0.062 0.000 2.334 204 A HA 0.591 4.911 4.320 -0.000 0.000 0.184 204 A C 1.940 179.575 177.584 0.085 0.000 1.594 204 A CA 1.229 53.303 52.037 0.062 0.000 1.162 204 A CB -0.210 18.822 19.000 0.052 0.000 1.426 204 A HN 0.453 nan 8.150 nan 0.000 0.494 205 E N 1.476 121.741 120.200 0.108 0.000 2.051 205 E HA -0.158 4.192 4.350 -0.000 0.000 0.189 205 E C 1.960 178.636 176.600 0.126 0.000 0.979 205 E CA 1.398 57.901 56.400 0.173 0.000 0.803 205 E CB -0.819 29.013 29.700 0.220 0.000 0.761 205 E HN 0.759 nan 8.360 nan 0.000 0.451 206 R N 0.148 120.695 120.500 0.078 0.000 2.120 206 R HA 0.057 4.396 4.340 -0.000 0.000 0.234 206 R C 2.560 178.860 176.300 -0.001 0.000 1.123 206 R CA 1.905 58.014 56.100 0.015 0.000 0.975 206 R CB -0.951 29.363 30.300 0.024 0.000 0.866 206 R HN 0.455 nan 8.270 nan 0.000 0.446 207 E N 1.699 121.920 120.200 0.035 0.000 2.187 207 E HA -0.179 4.171 4.350 -0.000 0.000 0.199 207 E C 1.866 178.482 176.600 0.026 0.000 1.004 207 E CA 1.847 58.268 56.400 0.035 0.000 0.813 207 E CB -0.635 29.095 29.700 0.050 0.000 0.736 207 E HN 0.575 nan 8.360 nan 0.000 0.468 208 I N -0.577 120.012 120.570 0.032 0.000 2.400 208 I HA -0.101 4.069 4.170 -0.000 0.000 0.248 208 I C 2.500 178.553 176.117 -0.107 0.000 1.109 208 I CA 0.485 61.808 61.300 0.038 0.000 1.425 208 I CB 0.445 38.529 38.000 0.140 0.000 1.094 208 I HN 0.230 nan 8.210 nan 0.000 0.425 209 V N 0.840 120.618 119.914 -0.226 0.000 2.427 209 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 209 V C 2.567 178.526 176.094 -0.226 0.000 1.051 209 V CA 1.700 63.771 62.300 -0.382 0.000 1.048 209 V CB -0.798 30.739 31.823 -0.477 0.000 0.666 209 V HN 0.404 nan 8.190 nan 0.000 0.456 210 R N 0.231 120.659 120.500 -0.121 0.000 2.152 210 R HA -0.224 4.116 4.340 -0.000 0.000 0.232 210 R C 1.946 178.201 176.300 -0.075 0.000 1.117 210 R CA 2.059 58.116 56.100 -0.071 0.000 0.981 210 R CB -0.347 29.936 30.300 -0.029 0.000 0.870 210 R HN 0.637 nan 8.270 nan 0.000 0.451 211 D N -0.212 120.144 120.400 -0.073 0.000 2.269 211 D HA -0.059 4.581 4.640 -0.000 0.000 0.208 211 D C 1.830 178.057 176.300 -0.121 0.000 0.963 211 D CA 0.688 54.665 54.000 -0.038 0.000 0.864 211 D CB 0.137 40.973 40.800 0.060 0.000 0.936 211 D HN 0.286 nan 8.370 nan 0.000 0.505 212 I N -0.122 120.267 120.570 -0.302 0.000 2.277 212 I HA -0.156 4.014 4.170 -0.000 0.000 0.243 212 I C 2.466 178.457 176.117 -0.209 0.000 1.094 212 I CA 0.383 61.396 61.300 -0.478 0.000 1.393 212 I CB -0.163 37.405 38.000 -0.720 0.000 1.078 212 I HN -0.037 nan 8.210 nan 0.000 0.417 213 K N 1.166 121.483 120.400 -0.137 0.000 2.023 213 K HA -0.302 4.018 4.320 -0.000 0.000 0.227 213 K C 1.877 178.473 176.600 -0.006 0.000 1.054 213 K CA 2.327 58.608 56.287 -0.011 0.000 0.977 213 K CB -0.415 32.085 32.500 0.001 0.000 0.733 213 K HN 0.428 nan 8.250 nan 0.000 0.451 214 E N 0.008 120.168 120.200 -0.067 0.000 2.160 214 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 214 E C 1.990 178.559 176.600 -0.052 0.000 0.991 214 E CA 0.963 57.303 56.400 -0.100 0.000 0.810 214 E CB 0.070 29.721 29.700 -0.081 0.000 0.742 214 E HN 0.279 nan 8.360 nan 0.000 0.466 215 K N -0.219 120.172 120.400 -0.016 0.000 2.214 215 K HA 0.045 4.365 4.320 -0.000 0.000 0.201 215 K C 1.822 178.452 176.600 0.050 0.000 1.049 215 K CA 0.402 56.706 56.287 0.028 0.000 0.978 215 K CB 0.247 32.799 32.500 0.086 0.000 0.842 215 K HN 0.064 nan 8.250 nan 0.000 0.474 216 L N 0.646 121.897 121.223 0.048 0.000 2.425 216 L HA 0.137 4.477 4.340 -0.000 0.000 0.215 216 L C 0.868 177.856 176.870 0.197 0.000 1.065 216 L CA 0.311 55.208 54.840 0.095 0.000 0.842 216 L CB -0.353 41.733 42.059 0.045 0.000 1.033 216 L HN -0.011 nan 8.230 nan 0.000 0.474 217 C N 0.641 120.064 119.300 0.206 0.000 2.689 217 C HA 0.352 4.811 4.460 -0.000 0.000 0.409 217 C C 0.138 175.402 174.990 0.457 0.000 1.293 217 C CA -0.384 58.818 59.018 0.306 0.000 2.136 217 C CB -1.096 26.859 27.740 0.359 0.000 2.719 217 C HN 0.491 nan 8.230 nan 0.000 0.644 218 Y N -1.280 119.141 120.300 0.201 0.000 2.624 218 Y HA 0.656 5.206 4.550 -0.000 0.000 0.334 218 Y C -1.237 174.721 175.900 0.097 0.000 1.155 218 Y CA -1.328 56.880 58.100 0.179 0.000 1.046 218 Y CB 0.451 38.977 38.460 0.110 0.000 1.316 218 Y HN 0.284 nan 8.280 nan 0.000 0.457 219 V N 2.942 122.898 119.914 0.071 0.000 2.407 219 V HA 0.737 4.857 4.120 -0.000 0.000 0.278 219 V C 0.338 176.419 176.094 -0.022 0.000 1.037 219 V CA -0.206 62.048 62.300 -0.077 0.000 0.900 219 V CB 0.810 32.628 31.823 -0.008 0.000 0.983 219 V HN 0.990 nan 8.190 nan 0.000 0.459 220 A N 3.810 126.558 122.820 -0.120 0.000 2.327 220 A HA 0.717 5.037 4.320 -0.000 0.000 0.283 220 A C 1.127 178.678 177.584 -0.056 0.000 1.127 220 A CA 0.184 52.222 52.037 0.002 0.000 0.810 220 A CB 1.049 20.054 19.000 0.008 0.000 1.066 220 A HN 1.403 nan 8.150 nan 0.000 0.492 221 L N 0.703 121.918 121.223 -0.013 0.000 2.141 221 L HA 0.340 4.679 4.340 -0.000 0.000 0.209 221 L C 1.152 177.982 176.870 -0.067 0.000 1.094 221 L CA 2.577 57.379 54.840 -0.064 0.000 0.763 221 L CB -1.808 40.237 42.059 -0.023 0.000 0.908 221 L HN 1.067 nan 8.230 nan 0.000 0.437 222 D N -2.730 117.662 120.400 -0.014 0.000 2.505 222 D HA 0.485 5.125 4.640 -0.000 0.000 0.250 222 D C 0.416 176.757 176.300 0.069 0.000 1.164 222 D CA -0.451 53.556 54.000 0.013 0.000 0.870 222 D CB 0.713 41.519 40.800 0.009 0.000 1.160 222 D HN 0.227 nan 8.370 nan 0.000 0.549 223 F N 1.437 121.335 119.950 -0.087 0.000 2.026 223 F HA -0.003 4.524 4.527 -0.000 0.000 0.296 223 F C 2.820 178.608 175.800 -0.020 0.000 1.133 223 F CA 3.053 61.019 58.000 -0.057 0.000 1.188 223 F CB -0.449 38.526 39.000 -0.042 0.000 0.968 223 F HN 0.563 nan 8.300 nan 0.000 0.476 224 E N 0.211 120.440 120.200 0.047 0.000 2.019 224 E HA -0.368 3.982 4.350 -0.000 0.000 0.208 224 E C 1.979 178.532 176.600 -0.078 0.000 1.030 224 E CA 2.329 58.701 56.400 -0.046 0.000 0.856 224 E CB -2.075 27.639 29.700 0.022 0.000 0.781 224 E HN 0.612 nan 8.360 nan 0.000 0.471 225 N N 0.774 119.456 118.700 -0.030 0.000 2.192 225 N HA -0.226 4.514 4.740 -0.000 0.000 0.188 225 N C 2.069 177.554 175.510 -0.043 0.000 1.013 225 N CA 2.081 55.114 53.050 -0.029 0.000 0.863 225 N CB -0.469 38.013 38.487 -0.008 0.000 0.990 225 N HN 0.566 nan 8.380 nan 0.000 0.430 226 E N -0.687 119.478 120.200 -0.059 0.000 2.072 226 E HA -0.031 4.319 4.350 -0.000 0.000 0.191 226 E C 1.981 178.500 176.600 -0.136 0.000 0.985 226 E CA 0.928 57.288 56.400 -0.066 0.000 0.801 226 E CB -0.137 29.529 29.700 -0.056 0.000 0.750 226 E HN 0.553 nan 8.360 nan 0.000 0.452 227 M N 0.460 119.910 119.600 -0.251 0.000 2.065 227 M HA 0.006 4.486 4.480 -0.000 0.000 0.259 227 M C 1.223 177.446 176.300 -0.129 0.000 1.071 227 M CA 1.290 56.439 55.300 -0.251 0.000 1.109 227 M CB -1.283 31.119 32.600 -0.330 0.000 1.313 227 M HN 0.080 nan 8.290 nan 0.000 0.408 228 A N -0.117 122.644 122.820 -0.098 0.000 3.076 228 A HA 0.453 4.773 4.320 -0.000 0.000 0.269 228 A C 1.104 178.664 177.584 -0.040 0.000 1.916 228 A CA 1.421 53.424 52.037 -0.057 0.000 1.492 228 A CB -1.755 17.220 19.000 -0.042 0.000 1.000 228 A HN 0.789 nan 8.150 nan 0.000 0.615 229 T N -2.240 112.291 114.554 -0.037 0.000 3.759 229 T HA 0.334 4.684 4.350 -0.000 0.000 0.277 229 T C 1.541 176.234 174.700 -0.012 0.000 0.924 229 T CA 0.794 62.884 62.100 -0.018 0.000 0.724 229 T CB -1.201 67.662 68.868 -0.008 0.000 1.145 229 T HN 1.206 nan 8.240 nan 0.000 0.873 230 A N 1.401 124.204 122.820 -0.028 0.000 1.850 230 A HA 0.728 5.048 4.320 -0.000 0.000 0.212 230 A C 2.056 179.627 177.584 -0.021 0.000 1.208 230 A CA 1.682 53.708 52.037 -0.019 0.000 0.609 230 A CB -0.691 18.282 19.000 -0.045 0.000 0.860 230 A HN 1.500 nan 8.150 nan 0.000 0.448 231 A N -1.012 121.784 122.820 -0.039 0.000 3.135 231 A HA 0.576 4.895 4.320 -0.000 0.000 0.253 231 A C 0.658 178.227 177.584 -0.025 0.000 1.638 231 A CA 0.953 52.971 52.037 -0.032 0.000 1.295 231 A CB -1.441 17.533 19.000 -0.043 0.000 1.106 231 A HN 1.573 nan 8.150 nan 0.000 0.648 232 S N -1.061 114.629 115.700 -0.016 0.000 4.264 232 S HA 0.551 5.021 4.470 -0.000 0.000 0.079 232 S C 0.051 174.647 174.600 -0.006 0.000 0.855 232 S CA 0.595 58.787 58.200 -0.012 0.000 0.881 232 S CB -1.007 62.183 63.200 -0.017 0.000 0.809 232 S HN 1.990 nan 8.310 nan 0.000 0.753 233 S N 0.061 115.761 115.700 -0.000 0.000 2.467 233 S HA 0.769 5.238 4.470 -0.000 0.000 0.320 233 S C 0.103 174.710 174.600 0.012 0.000 0.940 233 S CA 0.486 58.689 58.200 0.005 0.000 0.896 233 S CB -0.457 62.745 63.200 0.004 0.000 1.172 233 S HN 1.738 nan 8.310 nan 0.000 0.450 234 S N 0.779 116.486 115.700 0.013 0.000 3.122 234 S HA 0.641 5.110 4.470 -0.000 0.000 0.249 234 S C 1.253 175.864 174.600 0.019 0.000 1.334 234 S CA 0.847 59.058 58.200 0.019 0.000 1.251 234 S CB -0.900 62.310 63.200 0.018 0.000 1.034 234 S HN 1.814 nan 8.310 nan 0.000 0.478 235 S N -0.266 115.446 115.700 0.019 0.000 2.741 235 S HA 0.557 5.027 4.470 -0.000 0.000 0.245 235 S C 1.381 175.993 174.600 0.019 0.000 1.083 235 S CA 0.761 58.969 58.200 0.014 0.000 0.873 235 S CB -0.443 62.761 63.200 0.007 0.000 0.814 235 S HN 1.249 nan 8.310 nan 0.000 0.476 236 L N 2.122 123.365 121.223 0.034 0.000 2.939 236 L HA 0.726 5.066 4.340 -0.000 0.000 0.239 236 L C 0.451 177.369 176.870 0.081 0.000 1.325 236 L CA 0.653 55.531 54.840 0.062 0.000 1.170 236 L CB -1.662 40.450 42.059 0.088 0.000 1.538 236 L HN 0.676 nan 8.230 nan 0.000 0.452 237 E N -0.648 119.587 120.200 0.060 0.000 2.293 237 E HA 0.852 5.202 4.350 -0.000 0.000 0.270 237 E C -0.351 176.286 176.600 0.061 0.000 0.879 237 E CA -0.179 56.263 56.400 0.069 0.000 0.756 237 E CB 1.295 31.031 29.700 0.061 0.000 1.208 237 E HN 1.296 nan 8.360 nan 0.000 0.428 238 K N -0.275 120.170 120.400 0.076 0.000 2.435 238 K HA 0.951 5.271 4.320 -0.000 0.000 0.251 238 K C 0.100 176.753 176.600 0.088 0.000 0.954 238 K CA -0.151 56.179 56.287 0.072 0.000 0.820 238 K CB 1.417 33.961 32.500 0.074 0.000 1.292 238 K HN 1.645 nan 8.250 nan 0.000 0.436 239 S N 0.352 116.102 115.700 0.085 0.000 2.489 239 S HA 0.738 5.208 4.470 -0.000 0.000 0.291 239 S C -0.625 174.057 174.600 0.137 0.000 1.151 239 S CA -0.602 57.655 58.200 0.094 0.000 1.082 239 S CB 0.285 63.520 63.200 0.058 0.000 1.019 239 S HN 1.083 nan 8.310 nan 0.000 0.492 240 Y N 0.503 120.797 120.300 -0.009 0.000 2.499 240 Y HA 0.576 5.126 4.550 -0.000 0.000 0.347 240 Y C -0.066 175.825 175.900 -0.016 0.000 0.987 240 Y CA -0.444 57.648 58.100 -0.014 0.000 1.044 240 Y CB 1.342 39.788 38.460 -0.024 0.000 1.245 240 Y HN 0.630 nan 8.280 nan 0.000 0.461 241 E N 4.859 124.623 120.200 -0.727 0.000 2.063 241 E HA 0.662 5.012 4.350 -0.000 0.000 0.265 241 E C -0.234 176.037 176.600 -0.548 0.000 0.919 241 E CA -0.029 56.091 56.400 -0.466 0.000 0.756 241 E CB 0.026 29.536 29.700 -0.316 0.000 1.120 241 E HN 1.160 nan 8.360 nan 0.000 0.414 242 L N 2.368 123.503 121.223 -0.147 0.000 2.472 242 L HA 0.436 4.776 4.340 -0.000 0.000 0.273 242 L C -0.664 176.192 176.870 -0.023 0.000 1.254 242 L CA -0.049 54.820 54.840 0.048 0.000 0.823 242 L CB -0.663 41.472 42.059 0.127 0.000 1.096 242 L HN 0.582 nan 8.230 nan 0.000 0.521 243 P HA 0.073 nan 4.420 nan 0.000 0.218 243 P C 1.453 178.756 177.300 0.004 0.000 1.152 243 P CA 1.347 64.453 63.100 0.010 0.000 0.826 243 P CB -0.283 31.440 31.700 0.038 0.000 0.790 244 D N -0.966 119.445 120.400 0.018 0.000 2.149 244 D HA -0.101 4.539 4.640 -0.000 0.000 0.194 244 D C 1.796 178.094 176.300 -0.004 0.000 1.001 244 D CA 2.404 56.409 54.000 0.009 0.000 0.849 244 D CB -1.094 39.713 40.800 0.011 0.000 0.939 244 D HN 0.329 nan 8.370 nan 0.000 0.449 245 G N -3.030 105.763 108.800 -0.012 0.000 2.699 245 G HA2 0.329 4.289 3.960 -0.000 0.000 0.198 245 G HA3 0.329 4.289 3.960 -0.000 0.000 0.198 245 G C 0.985 175.873 174.900 -0.021 0.000 1.033 245 G CA 0.837 45.924 45.100 -0.023 0.000 0.728 245 G HN 1.614 nan 8.290 nan 0.000 0.484 246 Q N 0.474 120.270 119.800 -0.006 0.000 2.269 246 Q HA 0.668 5.008 4.340 -0.000 0.000 0.300 246 Q C 0.640 176.640 176.000 0.000 0.000 1.070 246 Q CA 1.062 56.866 55.803 0.002 0.000 0.957 246 Q CB -0.321 28.424 28.738 0.011 0.000 1.131 246 Q HN 2.309 nan 8.270 nan 0.000 0.377 247 V N 0.769 120.685 119.914 0.004 0.000 2.583 247 V HA 0.811 4.931 4.120 -0.000 0.000 0.287 247 V C 0.496 176.608 176.094 0.030 0.000 1.051 247 V CA 0.171 62.476 62.300 0.008 0.000 1.010 247 V CB 0.836 32.663 31.823 0.006 0.000 0.988 247 V HN 1.695 nan 8.190 nan 0.000 0.478 248 I N 2.272 122.859 120.570 0.028 0.000 2.785 248 I HA 0.964 5.134 4.170 -0.000 0.000 0.302 248 I C 0.430 176.576 176.117 0.049 0.000 1.069 248 I CA -0.405 60.883 61.300 -0.019 0.000 1.045 248 I CB 1.460 39.279 38.000 -0.302 0.000 1.236 248 I HN 1.326 nan 8.210 nan 0.000 0.429 249 T N 3.420 118.037 114.554 0.106 0.000 2.929 249 T HA 0.803 5.153 4.350 -0.000 0.000 0.331 249 T C 0.201 174.984 174.700 0.138 0.000 1.120 249 T CA 0.154 62.327 62.100 0.123 0.000 0.973 249 T CB -0.387 68.557 68.868 0.126 0.000 1.036 249 T HN 2.414 nan 8.240 nan 0.000 0.502 250 I N 1.533 122.161 120.570 0.096 0.000 2.741 250 I HA 0.619 4.789 4.170 -0.000 0.000 0.288 250 I C 0.898 177.079 176.117 0.107 0.000 1.192 250 I CA 0.169 61.521 61.300 0.086 0.000 1.426 250 I CB -0.070 37.955 38.000 0.041 0.000 1.367 250 I HN 1.177 nan 8.210 nan 0.000 0.563 251 G N 3.132 112.001 108.800 0.115 0.000 2.691 251 G HA2 0.492 4.452 3.960 -0.000 0.000 0.298 251 G HA3 0.492 4.452 3.960 -0.000 0.000 0.298 251 G C -0.344 174.602 174.900 0.076 0.000 1.471 251 G CA 0.068 45.224 45.100 0.094 0.000 0.912 251 G HN 1.448 nan 8.290 nan 0.000 0.553 252 N N -1.059 117.670 118.700 0.047 0.000 2.200 252 N HA 0.302 5.042 4.740 -0.000 0.000 0.224 252 N C 1.307 176.837 175.510 0.033 0.000 1.179 252 N CA 0.771 53.845 53.050 0.040 0.000 0.877 252 N CB 0.801 39.292 38.487 0.007 0.000 1.072 252 N HN 0.550 nan 8.380 nan 0.000 0.519 253 E N 2.112 122.337 120.200 0.042 0.000 2.219 253 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 253 E C 1.872 178.495 176.600 0.039 0.000 0.998 253 E CA 1.148 57.575 56.400 0.044 0.000 0.818 253 E CB -0.808 28.903 29.700 0.019 0.000 0.741 253 E HN 0.480 nan 8.360 nan 0.000 0.477 254 R N -2.002 118.528 120.500 0.050 0.000 2.190 254 R HA -0.249 4.091 4.340 -0.000 0.000 0.255 254 R C 2.301 178.494 176.300 -0.178 0.000 1.143 254 R CA 2.964 59.109 56.100 0.075 0.000 0.965 254 R CB -0.923 29.539 30.300 0.270 0.000 0.889 254 R HN 0.716 nan 8.270 nan 0.000 0.448 255 F N -0.248 119.531 119.950 -0.285 0.000 2.704 255 F HA 0.263 4.790 4.527 -0.000 0.000 0.304 255 F C 2.134 177.930 175.800 -0.007 0.000 1.094 255 F CA -0.145 57.610 58.000 -0.409 0.000 1.275 255 F CB -0.183 38.540 39.000 -0.462 0.000 1.073 255 F HN 0.003 nan 8.300 nan 0.000 0.586 256 R N -0.923 119.646 120.500 0.115 0.000 2.128 256 R HA -0.009 4.331 4.340 -0.000 0.000 0.211 256 R C 2.449 178.951 176.300 0.337 0.000 1.067 256 R CA 1.295 57.609 56.100 0.356 0.000 1.010 256 R CB -0.907 29.581 30.300 0.314 0.000 0.922 256 R HN 0.615 nan 8.270 nan 0.000 0.457 257 C N 2.408 121.835 119.300 0.211 0.000 2.413 257 C HA -0.012 4.448 4.460 -0.000 0.000 0.278 257 C C -0.519 174.466 174.990 -0.008 0.000 1.224 257 C CA 0.780 59.930 59.018 0.220 0.000 1.732 257 C CB -1.004 26.819 27.740 0.138 0.000 2.050 257 C HN 0.250 nan 8.230 nan 0.000 0.463 258 P HA -0.043 nan 4.420 nan 0.000 0.230 258 P C 1.126 178.275 177.300 -0.251 0.000 1.158 258 P CA 1.505 64.338 63.100 -0.445 0.000 0.769 258 P CB -0.341 30.837 31.700 -0.870 0.000 0.807 259 E N 0.600 120.688 120.200 -0.186 0.000 2.209 259 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 259 E C 1.499 177.755 176.600 -0.574 0.000 0.993 259 E CA 1.618 57.817 56.400 -0.335 0.000 0.819 259 E CB -1.240 28.223 29.700 -0.396 0.000 0.745 259 E HN 0.143 nan 8.360 nan 0.000 0.477 260 T N 0.758 115.005 114.554 -0.511 0.000 2.822 260 T HA -0.169 4.181 4.350 -0.000 0.000 0.270 260 T C 1.723 176.182 174.700 -0.401 0.000 1.064 260 T CA 1.195 62.975 62.100 -0.534 0.000 1.131 260 T CB -0.196 68.445 68.868 -0.379 0.000 0.858 260 T HN 0.174 nan 8.240 nan 0.000 0.483 261 L N -0.706 120.315 121.223 -0.336 0.000 2.056 261 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 261 L C 2.251 178.830 176.870 -0.485 0.000 1.078 261 L CA 1.490 56.095 54.840 -0.392 0.000 0.749 261 L CB -0.458 41.328 42.059 -0.455 0.000 0.901 261 L HN 0.251 nan 8.230 nan 0.000 0.433 262 F N -0.356 119.388 119.950 -0.344 0.000 2.179 262 F HA -0.044 4.483 4.527 -0.000 0.000 0.292 262 F C 1.140 176.742 175.800 -0.330 0.000 1.089 262 F CA 0.400 58.193 58.000 -0.346 0.000 1.295 262 F CB -0.046 38.644 39.000 -0.517 0.000 1.041 262 F HN 0.069 nan 8.300 nan 0.000 0.487 263 Q N 1.409 120.961 119.800 -0.414 0.000 2.462 263 Q HA 0.240 4.580 4.340 -0.000 0.000 0.247 263 Q C -2.328 173.346 176.000 -0.543 0.000 1.044 263 Q CA -1.858 53.644 55.803 -0.503 0.000 0.803 263 Q CB 1.222 29.518 28.738 -0.737 0.000 1.190 263 Q HN 0.059 nan 8.270 nan 0.000 0.507 264 P HA -0.081 nan 4.420 nan 0.000 0.237 264 P C 0.679 177.909 177.300 -0.117 0.000 1.178 264 P CA 0.760 63.733 63.100 -0.212 0.000 0.766 264 P CB 0.369 31.980 31.700 -0.148 0.000 0.876 265 S N -0.900 114.775 115.700 -0.042 0.000 2.423 265 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 265 S C 1.637 176.329 174.600 0.153 0.000 1.014 265 S CA 0.888 59.130 58.200 0.070 0.000 0.965 265 S CB -1.459 61.813 63.200 0.119 0.000 0.785 265 S HN 0.235 nan 8.310 nan 0.000 0.495 266 F N 1.482 121.316 119.950 -0.192 0.000 2.192 266 F HA -0.144 4.383 4.527 -0.000 0.000 0.301 266 F C 2.425 177.997 175.800 -0.380 0.000 1.079 266 F CA 0.939 58.768 58.000 -0.285 0.000 1.303 266 F CB -0.327 38.389 39.000 -0.474 0.000 1.024 266 F HN 0.310 nan 8.300 nan 0.000 0.494 267 I N -0.209 120.274 120.570 -0.144 0.000 3.891 267 I HA 0.506 4.676 4.170 -0.000 0.000 0.331 267 I C 1.486 177.588 176.117 -0.025 0.000 1.406 267 I CA 0.560 61.791 61.300 -0.116 0.000 1.139 267 I CB -0.967 36.941 38.000 -0.153 0.000 1.056 267 I HN 0.209 nan 8.210 nan 0.000 0.399 268 G N 0.499 109.299 108.800 -0.000 0.000 2.366 268 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.299 268 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.299 268 G C 0.756 175.649 174.900 -0.011 0.000 1.020 268 G CA 0.954 46.060 45.100 0.009 0.000 1.026 268 G HN 1.060 nan 8.290 nan 0.000 0.512 269 M N -0.947 118.634 119.600 -0.032 0.000 2.486 269 M HA 0.394 4.874 4.480 -0.000 0.000 0.264 269 M C 2.105 178.382 176.300 -0.039 0.000 1.125 269 M CA 2.194 57.468 55.300 -0.045 0.000 1.144 269 M CB 0.108 32.664 32.600 -0.073 0.000 1.353 269 M HN 1.462 nan 8.290 nan 0.000 0.466 270 E N -1.148 119.031 120.200 -0.034 0.000 4.562 270 E HA -0.246 4.104 4.350 -0.000 0.000 0.293 270 E C 0.652 177.228 176.600 -0.041 0.000 0.724 270 E CA 1.256 57.639 56.400 -0.028 0.000 1.636 270 E CB -2.970 26.718 29.700 -0.020 0.000 1.797 270 E HN 1.006 nan 8.360 nan 0.000 0.420 271 S N 0.352 116.019 115.700 -0.055 0.000 2.560 271 S HA 0.701 5.171 4.470 -0.000 0.000 0.276 271 S C 1.036 175.593 174.600 -0.072 0.000 1.350 271 S CA 0.848 59.010 58.200 -0.064 0.000 1.024 271 S CB 0.082 63.235 63.200 -0.078 0.000 0.864 271 S HN 2.201 nan 8.310 nan 0.000 0.536 272 A N 1.132 123.908 122.820 -0.074 0.000 2.406 272 A HA 0.592 4.912 4.320 -0.000 0.000 0.243 272 A C 0.984 178.507 177.584 -0.102 0.000 1.082 272 A CA 0.194 52.177 52.037 -0.090 0.000 0.786 272 A CB -0.477 18.467 19.000 -0.094 0.000 1.029 272 A HN 1.559 nan 8.150 nan 0.000 0.495 273 G N -0.423 108.319 108.800 -0.096 0.000 2.507 273 G HA2 0.416 4.376 3.960 -0.000 0.000 0.271 273 G HA3 0.416 4.376 3.960 -0.000 0.000 0.271 273 G C 0.993 175.875 174.900 -0.031 0.000 1.189 273 G CA -0.051 45.048 45.100 -0.000 0.000 0.859 273 G HN 1.112 nan 8.290 nan 0.000 0.542 274 I N -0.620 119.879 120.570 -0.119 0.000 2.248 274 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 274 I C 2.333 178.438 176.117 -0.021 0.000 1.107 274 I CA 1.841 63.041 61.300 -0.167 0.000 1.373 274 I CB -0.631 37.157 38.000 -0.354 0.000 1.055 274 I HN 0.633 nan 8.210 nan 0.000 0.418 275 H N 1.596 120.568 119.070 -0.163 0.000 2.389 275 H HA -0.042 4.514 4.556 -0.000 0.000 0.299 275 H C 1.647 177.000 175.328 0.042 0.000 1.081 275 H CA 1.738 57.794 56.048 0.013 0.000 1.345 275 H CB -1.118 28.723 29.762 0.132 0.000 1.393 275 H HN 0.556 nan 8.280 nan 0.000 0.520 276 E N 0.634 120.513 120.200 -0.537 0.000 2.046 276 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 276 E C 2.397 178.942 176.600 -0.092 0.000 0.982 276 E CA 1.793 57.973 56.400 -0.368 0.000 0.800 276 E CB -0.080 29.362 29.700 -0.429 0.000 0.756 276 E HN 0.726 nan 8.360 nan 0.000 0.449 277 T N -0.672 113.827 114.554 -0.092 0.000 2.803 277 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 277 T C 2.063 176.751 174.700 -0.020 0.000 1.052 277 T CA 1.690 63.762 62.100 -0.047 0.000 1.136 277 T CB -0.664 68.166 68.868 -0.063 0.000 0.864 277 T HN -0.019 nan 8.240 nan 0.000 0.467 278 T N 0.767 115.321 114.554 -0.000 0.000 2.674 278 T HA -0.065 4.285 4.350 -0.000 0.000 0.265 278 T C 1.449 176.163 174.700 0.024 0.000 1.039 278 T CA 1.500 63.609 62.100 0.014 0.000 1.150 278 T CB -0.692 68.210 68.868 0.057 0.000 0.864 278 T HN 0.541 nan 8.240 nan 0.000 0.427 279 Y N 2.356 122.643 120.300 -0.023 0.000 2.097 279 Y HA -0.234 4.315 4.550 -0.000 0.000 0.282 279 Y C 2.162 178.039 175.900 -0.038 0.000 1.152 279 Y CA 1.699 59.801 58.100 0.004 0.000 1.136 279 Y CB -0.717 37.759 38.460 0.027 0.000 0.975 279 Y HN 0.282 nan 8.280 nan 0.000 0.498 280 N N -0.980 117.771 118.700 0.085 0.000 2.104 280 N HA -0.244 4.496 4.740 -0.000 0.000 0.190 280 N C 2.075 177.524 175.510 -0.102 0.000 1.024 280 N CA 1.241 54.289 53.050 -0.004 0.000 0.853 280 N CB -0.407 38.102 38.487 0.036 0.000 1.008 280 N HN 0.285 nan 8.380 nan 0.000 0.424 281 S N 0.875 116.517 115.700 -0.096 0.000 2.359 281 S HA -0.076 4.394 4.470 -0.000 0.000 0.224 281 S C 1.864 176.358 174.600 -0.176 0.000 1.035 281 S CA 0.923 59.051 58.200 -0.120 0.000 1.018 281 S CB -0.248 62.890 63.200 -0.104 0.000 0.876 281 S HN 0.224 nan 8.310 nan 0.000 0.448 282 I N 1.157 121.578 120.570 -0.248 0.000 2.315 282 I HA -0.141 4.029 4.170 -0.000 0.000 0.248 282 I C 2.121 178.058 176.117 -0.299 0.000 1.117 282 I CA 0.896 61.996 61.300 -0.333 0.000 1.404 282 I CB -0.249 37.416 38.000 -0.560 0.000 1.071 282 I HN 0.351 nan 8.210 nan 0.000 0.419 283 M N 0.189 119.589 119.600 -0.333 0.000 2.476 283 M HA -0.078 4.401 4.480 -0.000 0.000 0.262 283 M C 1.744 177.973 176.300 -0.119 0.000 1.079 283 M CA 1.264 56.412 55.300 -0.254 0.000 1.104 283 M CB -0.834 31.580 32.600 -0.309 0.000 1.409 283 M HN 0.148 nan 8.290 nan 0.000 0.467 284 K N -0.400 119.948 120.400 -0.086 0.000 2.525 284 K HA 0.068 4.388 4.320 -0.000 0.000 0.192 284 K C 0.305 176.962 176.600 0.096 0.000 1.029 284 K CA 0.138 56.433 56.287 0.014 0.000 1.029 284 K CB -0.036 32.480 32.500 0.028 0.000 0.814 284 K HN 0.305 nan 8.250 nan 0.000 0.503 285 C N 1.518 120.817 119.300 -0.001 0.000 2.365 285 C HA 0.195 4.655 4.460 -0.000 0.000 0.349 285 C C 0.553 175.529 174.990 -0.024 0.000 1.191 285 C CA -1.487 57.547 59.018 0.027 0.000 2.114 285 C CB 1.122 28.820 27.740 -0.070 0.000 2.367 285 C HN 0.407 nan 8.230 nan 0.000 0.530 286 D N 1.395 121.774 120.400 -0.034 0.000 2.658 286 D HA -0.090 4.550 4.640 -0.000 0.000 0.230 286 D C 1.115 177.368 176.300 -0.078 0.000 1.118 286 D CA 0.389 54.345 54.000 -0.073 0.000 0.848 286 D CB 0.424 41.154 40.800 -0.116 0.000 1.160 286 D HN 0.626 nan 8.370 nan 0.000 0.497 287 I N 3.189 123.726 120.570 -0.054 0.000 2.248 287 I HA -0.317 3.853 4.170 -0.000 0.000 0.248 287 I C 0.920 177.018 176.117 -0.031 0.000 1.107 287 I CA 1.392 62.671 61.300 -0.035 0.000 1.373 287 I CB 0.120 38.109 38.000 -0.018 0.000 1.055 287 I HN 0.358 nan 8.210 nan 0.000 0.418 288 D N 0.657 121.029 120.400 -0.048 0.000 2.350 288 D HA -0.089 4.551 4.640 -0.000 0.000 0.216 288 D C 1.678 177.954 176.300 -0.040 0.000 0.968 288 D CA 1.147 55.126 54.000 -0.035 0.000 0.894 288 D CB -0.032 40.743 40.800 -0.043 0.000 0.909 288 D HN 0.685 nan 8.370 nan 0.000 0.520 289 I N -3.622 116.899 120.570 -0.082 0.000 4.082 289 I HA 0.250 4.420 4.170 -0.000 0.000 0.337 289 I C 1.642 177.743 176.117 -0.026 0.000 1.352 289 I CA -0.381 60.875 61.300 -0.072 0.000 1.097 289 I CB 0.395 38.245 38.000 -0.249 0.000 1.048 289 I HN -0.300 nan 8.210 nan 0.000 0.393 290 R N 2.031 122.514 120.500 -0.028 0.000 2.081 290 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 290 R C 1.913 178.258 176.300 0.074 0.000 1.131 290 R CA 1.396 57.467 56.100 -0.047 0.000 0.960 290 R CB -0.352 29.939 30.300 -0.014 0.000 0.856 290 R HN 0.420 nan 8.270 nan 0.000 0.436 291 K N 0.719 121.210 120.400 0.152 0.000 2.015 291 K HA -0.194 4.125 4.320 -0.000 0.000 0.216 291 K C 1.695 178.391 176.600 0.160 0.000 1.052 291 K CA 1.947 58.350 56.287 0.194 0.000 0.937 291 K CB -0.176 32.397 32.500 0.122 0.000 0.719 291 K HN 0.123 nan 8.250 nan 0.000 0.446 292 D N 0.478 120.944 120.400 0.111 0.000 2.182 292 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 292 D C 1.824 178.174 176.300 0.083 0.000 0.986 292 D CA 0.890 54.953 54.000 0.105 0.000 0.847 292 D CB -0.067 40.814 40.800 0.135 0.000 0.942 292 D HN 0.014 nan 8.370 nan 0.000 0.467 293 L N -0.193 121.052 121.223 0.037 0.000 2.023 293 L HA -0.131 4.209 4.340 -0.000 0.000 0.205 293 L C 2.201 179.063 176.870 -0.012 0.000 1.073 293 L CA 1.367 56.185 54.840 -0.037 0.000 0.745 293 L CB -1.366 40.593 42.059 -0.167 0.000 0.900 293 L HN 0.078 nan 8.230 nan 0.000 0.435 294 Y N -0.181 120.137 120.300 0.030 0.000 2.256 294 Y HA -0.160 4.390 4.550 -0.000 0.000 0.288 294 Y C 2.324 178.249 175.900 0.041 0.000 1.155 294 Y CA 1.138 59.261 58.100 0.037 0.000 1.203 294 Y CB -0.666 37.817 38.460 0.038 0.000 0.980 294 Y HN 0.194 nan 8.280 nan 0.000 0.530 295 A N -1.013 121.925 122.820 0.197 0.000 2.275 295 A HA 0.116 4.435 4.320 -0.000 0.000 0.212 295 A C 0.623 178.263 177.584 0.094 0.000 1.201 295 A CA 0.172 52.287 52.037 0.129 0.000 0.843 295 A CB -0.215 18.849 19.000 0.105 0.000 0.873 295 A HN 0.335 nan 8.150 nan 0.000 0.492 296 N N 0.566 119.317 118.700 0.085 0.000 2.664 296 N HA 0.069 4.808 4.740 -0.000 0.000 0.287 296 N C -1.301 174.238 175.510 0.049 0.000 1.869 296 N CA -0.116 52.971 53.050 0.060 0.000 0.832 296 N CB 0.274 38.792 38.487 0.053 0.000 1.293 296 N HN 0.439 nan 8.380 nan 0.000 0.498 297 N N 0.763 119.499 118.700 0.060 0.000 2.415 297 N HA 0.202 4.942 4.740 -0.000 0.000 0.246 297 N C -0.814 174.722 175.510 0.043 0.000 1.078 297 N CA -0.194 52.886 53.050 0.050 0.000 0.942 297 N CB 0.874 39.407 38.487 0.076 0.000 1.140 297 N HN -0.086 nan 8.380 nan 0.000 0.501 298 V N 4.768 124.698 119.914 0.027 0.000 2.435 298 V HA 0.341 4.461 4.120 -0.000 0.000 0.290 298 V C 0.252 176.358 176.094 0.020 0.000 1.030 298 V CA -0.504 61.810 62.300 0.024 0.000 0.881 298 V CB 1.550 33.383 31.823 0.016 0.000 0.983 298 V HN 0.688 nan 8.190 nan 0.000 0.445 299 M N 3.375 122.990 119.600 0.024 0.000 2.363 299 M HA 0.565 5.045 4.480 -0.000 0.000 0.343 299 M C -0.195 176.112 176.300 0.011 0.000 1.165 299 M CA 0.016 55.328 55.300 0.020 0.000 1.046 299 M CB 1.913 34.532 32.600 0.031 0.000 1.648 299 M HN 0.660 nan 8.290 nan 0.000 0.452 300 S N 1.157 116.860 115.700 0.005 0.000 2.536 300 S HA 0.858 5.327 4.470 -0.000 0.000 0.271 300 S C -0.811 173.785 174.600 -0.008 0.000 1.134 300 S CA 0.190 58.390 58.200 -0.000 0.000 0.897 300 S CB 1.788 64.990 63.200 0.003 0.000 1.094 300 S HN 1.177 nan 8.310 nan 0.000 0.473 301 G N 1.821 110.607 108.800 -0.023 0.000 2.697 301 G HA2 0.183 4.143 3.960 -0.000 0.000 0.686 301 G HA3 0.183 4.143 3.960 -0.000 0.000 0.686 301 G C 0.762 175.622 174.900 -0.065 0.000 1.179 301 G CA -0.044 45.035 45.100 -0.034 0.000 0.765 301 G HN 1.485 nan 8.290 nan 0.000 0.649 302 G N -0.435 108.313 108.800 -0.088 0.000 2.469 302 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.220 302 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.220 302 G C 1.694 176.522 174.900 -0.120 0.000 1.136 302 G CA 2.266 47.292 45.100 -0.124 0.000 0.759 302 G HN 1.411 nan 8.290 nan 0.000 0.562 303 T N 0.675 115.201 114.554 -0.047 0.000 3.160 303 T HA 0.031 4.380 4.350 -0.000 0.000 0.257 303 T C 2.313 177.091 174.700 0.129 0.000 1.147 303 T CA 1.441 63.573 62.100 0.053 0.000 1.064 303 T CB -0.181 68.737 68.868 0.084 0.000 0.949 303 T HN 0.559 nan 8.240 nan 0.000 0.526 304 T N -1.178 113.397 114.554 0.035 0.000 3.086 304 T HA 0.218 4.568 4.350 -0.000 0.000 0.250 304 T C 1.709 176.435 174.700 0.043 0.000 1.074 304 T CA -0.217 61.929 62.100 0.078 0.000 0.988 304 T CB -0.181 68.709 68.868 0.036 0.000 0.988 304 T HN 0.053 nan 8.240 nan 0.000 0.530 305 M N 0.781 120.324 119.600 -0.094 0.000 2.476 305 M HA 0.216 4.696 4.480 -0.000 0.000 0.262 305 M C -0.240 175.991 176.300 -0.114 0.000 1.079 305 M CA -0.189 55.025 55.300 -0.142 0.000 1.104 305 M CB -1.229 31.232 32.600 -0.231 0.000 1.409 305 M HN 0.314 nan 8.290 nan 0.000 0.467 306 Y N 1.747 122.066 120.300 0.032 0.000 2.865 306 Y HA -0.029 4.521 4.550 -0.000 0.000 0.338 306 Y C -1.640 174.310 175.900 0.084 0.000 1.269 306 Y CA -1.581 56.558 58.100 0.064 0.000 1.585 306 Y CB -1.060 37.444 38.460 0.073 0.000 1.224 306 Y HN 0.125 nan 8.280 nan 0.000 0.554 307 P HA 0.013 nan 4.420 nan 0.000 0.264 307 P C 0.873 178.306 177.300 0.222 0.000 1.183 307 P CA 1.546 64.755 63.100 0.182 0.000 0.763 307 P CB 0.566 32.363 31.700 0.161 0.000 0.807 308 G N 2.711 111.604 108.800 0.155 0.000 2.179 308 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.260 308 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.260 308 G C 0.818 175.790 174.900 0.120 0.000 0.977 308 G CA 0.252 45.434 45.100 0.136 0.000 0.641 308 G HN 0.579 nan 8.290 nan 0.000 0.533 309 I N 0.463 121.130 120.570 0.162 0.000 2.617 309 I HA 0.266 4.436 4.170 -0.000 0.000 0.256 309 I C 2.717 178.941 176.117 0.178 0.000 1.167 309 I CA 1.729 63.148 61.300 0.199 0.000 1.469 309 I CB -0.143 38.009 38.000 0.254 0.000 1.098 309 I HN 0.304 nan 8.210 nan 0.000 0.436 310 A N 0.249 123.145 122.820 0.126 0.000 1.897 310 A HA -0.198 4.122 4.320 -0.000 0.000 0.215 310 A C 1.839 179.474 177.584 0.085 0.000 1.181 310 A CA 1.840 53.938 52.037 0.103 0.000 0.620 310 A CB -0.569 18.478 19.000 0.079 0.000 0.821 310 A HN 0.399 nan 8.150 nan 0.000 0.443 311 D N -0.828 119.611 120.400 0.065 0.000 2.178 311 D HA -0.110 4.530 4.640 -0.000 0.000 0.202 311 D C 2.093 178.403 176.300 0.017 0.000 0.974 311 D CA 1.226 55.250 54.000 0.039 0.000 0.841 311 D CB -0.151 40.668 40.800 0.032 0.000 0.953 311 D HN 0.360 nan 8.370 nan 0.000 0.478 312 R N -0.060 120.439 120.500 -0.002 0.000 2.075 312 R HA 0.079 4.419 4.340 -0.000 0.000 0.226 312 R C 2.051 178.353 176.300 0.004 0.000 1.114 312 R CA 0.822 56.855 56.100 -0.113 0.000 0.972 312 R CB -0.385 29.704 30.300 -0.351 0.000 0.869 312 R HN 0.026 nan 8.270 nan 0.000 0.437 313 M N 0.536 120.243 119.600 0.179 0.000 2.080 313 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 313 M C 2.043 178.440 176.300 0.161 0.000 1.068 313 M CA 1.826 57.276 55.300 0.250 0.000 1.109 313 M CB -0.828 31.903 32.600 0.217 0.000 1.342 313 M HN 0.226 nan 8.290 nan 0.000 0.405 314 Q N 1.252 121.120 119.800 0.114 0.000 1.914 314 Q HA -0.277 4.063 4.340 -0.000 0.000 0.222 314 Q C 1.887 177.928 176.000 0.068 0.000 1.031 314 Q CA 3.116 58.970 55.803 0.085 0.000 0.886 314 Q CB -0.662 28.113 28.738 0.060 0.000 0.982 314 Q HN 0.467 nan 8.270 nan 0.000 0.417 315 K N -0.559 119.863 120.400 0.036 0.000 2.052 315 K HA -0.276 4.044 4.320 -0.000 0.000 0.215 315 K C 1.890 178.509 176.600 0.032 0.000 1.053 315 K CA 1.958 58.253 56.287 0.014 0.000 0.934 315 K CB -0.320 32.167 32.500 -0.021 0.000 0.717 315 K HN 0.313 nan 8.250 nan 0.000 0.450 316 E N 0.638 120.867 120.200 0.047 0.000 2.077 316 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 316 E C 2.179 178.884 176.600 0.175 0.000 0.989 316 E CA 1.645 58.111 56.400 0.110 0.000 0.800 316 E CB -0.301 29.469 29.700 0.117 0.000 0.746 316 E HN 0.713 nan 8.360 nan 0.000 0.452 317 I N -0.795 119.885 120.570 0.185 0.000 2.876 317 I HA -0.043 4.127 4.170 -0.000 0.000 0.264 317 I C 2.301 178.490 176.117 0.120 0.000 1.204 317 I CA 1.475 62.898 61.300 0.204 0.000 1.485 317 I CB -0.393 37.775 38.000 0.280 0.000 1.103 317 I HN -0.087 nan 8.210 nan 0.000 0.446 318 T N -0.345 114.248 114.554 0.065 0.000 2.995 318 T HA 0.123 4.473 4.350 -0.000 0.000 0.269 318 T C 1.967 176.665 174.700 -0.003 0.000 1.091 318 T CA 0.939 63.039 62.100 0.001 0.000 1.128 318 T CB -0.445 68.417 68.868 -0.009 0.000 0.891 318 T HN 0.456 nan 8.240 nan 0.000 0.492 319 A N 1.535 124.365 122.820 0.016 0.000 1.902 319 A HA 0.143 4.463 4.320 -0.000 0.000 0.217 319 A C 2.368 179.934 177.584 -0.030 0.000 1.181 319 A CA 1.515 53.550 52.037 -0.003 0.000 0.623 319 A CB -0.838 18.167 19.000 0.009 0.000 0.818 319 A HN 0.580 nan 8.150 nan 0.000 0.443 320 L N -0.909 120.295 121.223 -0.033 0.000 2.156 320 L HA 0.054 4.394 4.340 -0.000 0.000 0.208 320 L C 1.686 178.530 176.870 -0.043 0.000 1.095 320 L CA 0.432 55.178 54.840 -0.157 0.000 0.770 320 L CB -0.509 41.424 42.059 -0.211 0.000 0.914 320 L HN 0.412 nan 8.230 nan 0.000 0.439 321 A N -0.391 122.463 122.820 0.056 0.000 2.257 321 A HA 0.513 4.832 4.320 -0.000 0.000 0.289 321 A C -2.246 175.316 177.584 -0.037 0.000 1.095 321 A CA -1.284 50.771 52.037 0.031 0.000 0.836 321 A CB -0.348 18.418 19.000 -0.390 0.000 1.111 321 A HN -0.071 nan 8.150 nan 0.000 0.497 322 P HA 0.272 nan 4.420 nan 0.000 0.267 322 P C 1.056 178.313 177.300 -0.072 0.000 1.209 322 P CA 0.985 64.064 63.100 -0.035 0.000 0.763 322 P CB 0.688 32.380 31.700 -0.014 0.000 0.816 323 S N 3.579 119.252 115.700 -0.044 0.000 2.414 323 S HA -0.332 4.138 4.470 -0.000 0.000 0.241 323 S C 2.049 176.622 174.600 -0.045 0.000 1.079 323 S CA 2.860 61.036 58.200 -0.040 0.000 1.087 323 S CB -1.989 61.198 63.200 -0.022 0.000 0.927 323 S HN 0.626 nan 8.310 nan 0.000 0.456 324 T N -0.258 114.272 114.554 -0.040 0.000 3.007 324 T HA 0.447 4.797 4.350 -0.000 0.000 0.270 324 T C 1.172 175.844 174.700 -0.047 0.000 1.107 324 T CA 1.931 64.013 62.100 -0.031 0.000 1.118 324 T CB -1.097 67.761 68.868 -0.015 0.000 0.889 324 T HN 1.030 nan 8.240 nan 0.000 0.506 325 M N 1.812 121.353 119.600 -0.098 0.000 2.238 325 M HA 0.516 4.996 4.480 -0.000 0.000 0.350 325 M C 0.375 176.614 176.300 -0.102 0.000 1.321 325 M CA -0.477 54.732 55.300 -0.153 0.000 1.097 325 M CB -0.964 31.384 32.600 -0.420 0.000 1.713 325 M HN 0.567 nan 8.290 nan 0.000 0.455 326 K N 4.959 125.339 120.400 -0.033 0.000 2.263 326 K HA 0.560 4.880 4.320 -0.000 0.000 0.282 326 K C -1.124 175.495 176.600 0.033 0.000 1.089 326 K CA -0.530 55.759 56.287 0.003 0.000 0.907 326 K CB 0.257 32.773 32.500 0.026 0.000 1.148 326 K HN 0.655 nan 8.250 nan 0.000 0.470 327 I N 3.185 123.766 120.570 0.019 0.000 2.532 327 I HA 0.347 4.517 4.170 -0.000 0.000 0.292 327 I C -0.204 175.960 176.117 0.078 0.000 1.014 327 I CA -0.456 60.886 61.300 0.070 0.000 1.340 327 I CB 0.905 38.938 38.000 0.054 0.000 1.422 327 I HN 0.751 nan 8.210 nan 0.000 0.528 328 K N 5.124 125.584 120.400 0.100 0.000 2.616 328 K HA 0.450 4.770 4.320 -0.000 0.000 0.255 328 K C -1.864 174.785 176.600 0.082 0.000 0.995 328 K CA -0.477 55.857 56.287 0.078 0.000 0.860 328 K CB 1.081 33.621 32.500 0.066 0.000 1.264 328 K HN 0.296 nan 8.250 nan 0.000 0.451 329 I N 5.508 126.123 120.570 0.075 0.000 2.315 329 I HA 0.315 4.485 4.170 -0.000 0.000 0.291 329 I C -0.134 176.018 176.117 0.058 0.000 1.006 329 I CA -0.856 60.487 61.300 0.072 0.000 1.265 329 I CB 0.775 38.823 38.000 0.080 0.000 1.387 329 I HN 0.561 nan 8.210 nan 0.000 0.475 330 I N 5.758 126.359 120.570 0.052 0.000 2.330 330 I HA 0.476 4.646 4.170 -0.000 0.000 0.289 330 I C 0.330 176.470 176.117 0.039 0.000 1.001 330 I CA 0.021 61.347 61.300 0.043 0.000 1.193 330 I CB 1.593 39.617 38.000 0.039 0.000 1.345 330 I HN 0.676 nan 8.210 nan 0.000 0.461 331 A N 8.002 130.845 122.820 0.038 0.000 2.842 331 A HA 0.706 5.026 4.320 -0.000 0.000 0.339 331 A C -2.548 175.052 177.584 0.026 0.000 1.177 331 A CA -1.312 50.745 52.037 0.034 0.000 0.797 331 A CB -0.432 18.593 19.000 0.042 0.000 1.094 331 A HN 0.387 nan 8.150 nan 0.000 0.474 332 P HA 0.182 nan 4.420 nan 0.000 0.271 332 P C -1.799 175.509 177.300 0.012 0.000 1.216 332 P CA -1.142 61.972 63.100 0.023 0.000 0.776 332 P CB 0.728 32.445 31.700 0.029 0.000 0.881 333 P HA -0.191 nan 4.420 nan 0.000 0.218 333 P C 0.880 178.171 177.300 -0.014 0.000 1.148 333 P CA 1.512 64.613 63.100 0.001 0.000 0.822 333 P CB 0.001 31.707 31.700 0.011 0.000 0.784 334 E N 1.370 121.577 120.200 0.011 0.000 2.403 334 E HA -0.096 4.254 4.350 -0.000 0.000 0.187 334 E C 1.495 178.085 176.600 -0.016 0.000 1.073 334 E CA -0.082 56.332 56.400 0.024 0.000 0.888 334 E CB -0.629 29.133 29.700 0.103 0.000 1.035 334 E HN 0.379 nan 8.360 nan 0.000 0.471 335 R N 1.107 121.582 120.500 -0.042 0.000 2.328 335 R HA 0.011 4.351 4.340 -0.000 0.000 0.207 335 R C 1.438 177.679 176.300 -0.097 0.000 1.056 335 R CA 0.512 56.591 56.100 -0.035 0.000 1.016 335 R CB -0.295 29.992 30.300 -0.022 0.000 0.872 335 R HN -0.003 nan 8.270 nan 0.000 0.471 336 K N -0.015 120.238 120.400 -0.245 0.000 2.211 336 K HA -0.094 4.226 4.320 -0.000 0.000 0.203 336 K C 0.349 176.753 176.600 -0.326 0.000 1.050 336 K CA 1.136 57.181 56.287 -0.402 0.000 0.945 336 K CB 0.095 32.142 32.500 -0.754 0.000 0.732 336 K HN 0.281 nan 8.250 nan 0.000 0.451 337 Y N -0.786 119.533 120.300 0.032 0.000 2.500 337 Y HA 0.230 4.780 4.550 -0.000 0.000 0.246 337 Y C 1.810 177.791 175.900 0.135 0.000 1.146 337 Y CA -0.709 57.438 58.100 0.077 0.000 1.230 337 Y CB 0.205 38.695 38.460 0.049 0.000 1.214 337 Y HN -0.111 nan 8.280 nan 0.000 0.526 338 S N 0.118 115.931 115.700 0.190 0.000 2.372 338 S HA -0.207 4.262 4.470 -0.000 0.000 0.227 338 S C 2.232 176.909 174.600 0.129 0.000 1.044 338 S CA 1.941 60.224 58.200 0.138 0.000 1.050 338 S CB -0.551 62.689 63.200 0.067 0.000 0.901 338 S HN 0.269 nan 8.310 nan 0.000 0.447 339 V N -0.038 119.947 119.914 0.118 0.000 2.252 339 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 339 V C 1.840 177.999 176.094 0.109 0.000 1.056 339 V CA 2.131 64.480 62.300 0.082 0.000 1.022 339 V CB -0.800 31.072 31.823 0.082 0.000 0.641 339 V HN 0.714 nan 8.190 nan 0.000 0.445 340 W N 0.295 121.618 121.300 0.038 0.000 2.338 340 W HA -0.187 4.473 4.660 -0.000 0.000 0.304 340 W C 2.250 178.772 176.519 0.004 0.000 1.212 340 W CA 1.871 59.225 57.345 0.016 0.000 1.264 340 W CB -0.163 29.306 29.460 0.015 0.000 1.142 340 W HN 0.185 nan 8.180 nan 0.000 0.512 341 I N 0.201 120.959 120.570 0.312 0.000 2.315 341 I HA -0.163 4.006 4.170 -0.000 0.000 0.248 341 I C 2.625 178.710 176.117 -0.055 0.000 1.117 341 I CA 1.387 62.801 61.300 0.190 0.000 1.404 341 I CB -1.152 37.007 38.000 0.266 0.000 1.071 341 I HN 0.152 nan 8.210 nan 0.000 0.419 342 G N 0.495 109.275 108.800 -0.033 0.000 2.418 342 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.217 342 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.217 342 G C 1.718 176.513 174.900 -0.175 0.000 1.158 342 G CA 0.799 45.863 45.100 -0.060 0.000 0.771 342 G HN 0.488 nan 8.290 nan 0.000 0.545 343 G N 0.211 108.844 108.800 -0.278 0.000 2.422 343 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.218 343 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.218 343 G C 2.046 176.628 174.900 -0.529 0.000 1.140 343 G CA 1.476 46.337 45.100 -0.398 0.000 0.775 343 G HN 0.498 nan 8.290 nan 0.000 0.545 344 S N 0.032 115.327 115.700 -0.675 0.000 2.383 344 S HA -0.023 4.447 4.470 -0.000 0.000 0.227 344 S C 2.377 176.769 174.600 -0.347 0.000 1.026 344 S CA 0.924 58.738 58.200 -0.643 0.000 0.981 344 S CB -0.229 62.489 63.200 -0.803 0.000 0.818 344 S HN 0.377 nan 8.310 nan 0.000 0.472 345 I N 0.849 121.252 120.570 -0.277 0.000 2.233 345 I HA -0.095 4.075 4.170 -0.000 0.000 0.243 345 I C 2.335 178.276 176.117 -0.294 0.000 1.093 345 I CA 0.749 61.923 61.300 -0.209 0.000 1.380 345 I CB -0.423 37.492 38.000 -0.142 0.000 1.067 345 I HN 0.305 nan 8.210 nan 0.000 0.413 346 L N 1.515 122.505 121.223 -0.387 0.000 1.990 346 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 346 L C 2.421 178.723 176.870 -0.946 0.000 1.072 346 L CA 2.331 56.803 54.840 -0.613 0.000 0.755 346 L CB -0.727 40.952 42.059 -0.634 0.000 0.889 346 L HN 0.217 nan 8.230 nan 0.000 0.432 347 A N -2.212 120.075 122.820 -0.889 0.000 2.209 347 A HA -0.026 4.294 4.320 -0.000 0.000 0.212 347 A C 2.165 179.631 177.584 -0.198 0.000 1.158 347 A CA 1.321 52.924 52.037 -0.722 0.000 0.742 347 A CB -0.518 18.304 19.000 -0.296 0.000 0.790 347 A HN 0.529 nan 8.150 nan 0.000 0.472 348 S N -0.505 115.071 115.700 -0.206 0.000 2.524 348 S HA 0.257 4.727 4.470 -0.000 0.000 0.216 348 S C 0.494 175.072 174.600 -0.037 0.000 0.987 348 S CA -0.326 57.837 58.200 -0.061 0.000 0.909 348 S CB -0.187 62.974 63.200 -0.065 0.000 0.781 348 S HN 0.493 nan 8.310 nan 0.000 0.521 349 L N 2.548 123.717 121.223 -0.089 0.000 2.453 349 L HA 0.124 4.464 4.340 -0.000 0.000 0.272 349 L C 1.793 178.691 176.870 0.045 0.000 1.182 349 L CA -0.400 54.417 54.840 -0.038 0.000 0.858 349 L CB 0.504 42.514 42.059 -0.081 0.000 1.120 349 L HN 0.242 nan 8.230 nan 0.000 0.474 350 S N 0.221 115.940 115.700 0.031 0.000 2.402 350 S HA -0.225 4.245 4.470 -0.000 0.000 0.233 350 S C 1.617 176.251 174.600 0.056 0.000 1.030 350 S CA 1.652 59.880 58.200 0.047 0.000 1.003 350 S CB -0.723 62.491 63.200 0.022 0.000 0.813 350 S HN 0.880 nan 8.310 nan 0.000 0.477 351 T N -2.825 111.752 114.554 0.039 0.000 3.160 351 T HA 0.187 4.537 4.350 -0.000 0.000 0.257 351 T C 1.048 175.774 174.700 0.043 0.000 1.147 351 T CA 0.131 62.246 62.100 0.025 0.000 1.064 351 T CB -0.599 68.266 68.868 -0.005 0.000 0.949 351 T HN 0.361 nan 8.240 nan 0.000 0.526 352 F N 1.543 121.428 119.950 -0.108 0.000 2.743 352 F HA 0.285 4.812 4.527 -0.000 0.000 0.297 352 F C 2.400 178.126 175.800 -0.123 0.000 1.131 352 F CA -0.434 57.432 58.000 -0.222 0.000 1.426 352 F CB -0.148 38.647 39.000 -0.342 0.000 1.116 352 F HN 0.140 nan 8.300 nan 0.000 0.583 353 Q N 0.184 120.043 119.800 0.098 0.000 2.173 353 Q HA -0.238 4.102 4.340 -0.000 0.000 0.208 353 Q C 1.169 177.257 176.000 0.147 0.000 0.989 353 Q CA 1.765 57.704 55.803 0.227 0.000 0.872 353 Q CB -0.097 28.735 28.738 0.156 0.000 0.909 353 Q HN 0.448 nan 8.270 nan 0.000 0.420 354 Q N -1.204 118.572 119.800 -0.040 0.000 2.319 354 Q HA 0.080 4.420 4.340 -0.000 0.000 0.202 354 Q C 1.622 177.534 176.000 -0.147 0.000 0.896 354 Q CA 0.028 55.808 55.803 -0.039 0.000 0.942 354 Q CB 0.452 29.175 28.738 -0.025 0.000 1.083 354 Q HN 0.436 nan 8.270 nan 0.000 0.510 355 M N -1.043 118.274 119.600 -0.472 0.000 2.388 355 M HA 0.007 4.487 4.480 -0.000 0.000 0.265 355 M C 0.379 176.453 176.300 -0.377 0.000 1.088 355 M CA 0.247 55.187 55.300 -0.599 0.000 1.134 355 M CB -0.742 31.066 32.600 -1.320 0.000 1.384 355 M HN 0.120 nan 8.290 nan 0.000 0.447 356 W N 1.488 122.569 121.300 -0.365 0.000 2.209 356 W HA 0.084 4.744 4.660 -0.000 0.000 0.344 356 W C 0.275 176.851 176.519 0.095 0.000 1.285 356 W CA -0.416 56.903 57.345 -0.044 0.000 1.267 356 W CB 0.020 29.469 29.460 -0.018 0.000 1.167 356 W HN -0.003 nan 8.180 nan 0.000 0.574 357 I N 3.560 124.431 120.570 0.501 0.000 2.379 357 I HA 0.068 4.238 4.170 -0.000 0.000 0.290 357 I C 0.915 177.311 176.117 0.465 0.000 1.063 357 I CA -0.371 61.170 61.300 0.402 0.000 1.351 357 I CB 0.040 38.292 38.000 0.421 0.000 1.410 357 I HN 0.351 nan 8.210 nan 0.000 0.505 358 T N 1.893 116.614 114.554 0.278 0.000 2.849 358 T HA 0.191 4.541 4.350 -0.000 0.000 0.284 358 T C 0.966 175.735 174.700 0.114 0.000 1.004 358 T CA -0.772 61.463 62.100 0.225 0.000 1.021 358 T CB 1.792 70.731 68.868 0.118 0.000 1.013 358 T HN 0.627 nan 8.240 nan 0.000 0.527 359 K N 0.181 120.690 120.400 0.183 0.000 2.097 359 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 359 K C 2.391 178.944 176.600 -0.079 0.000 1.050 359 K CA 1.073 57.334 56.287 -0.043 0.000 0.938 359 K CB -0.163 32.450 32.500 0.188 0.000 0.718 359 K HN 0.742 nan 8.250 nan 0.000 0.442 360 Q N 0.765 120.559 119.800 -0.009 0.000 2.029 360 Q HA -0.256 4.084 4.340 -0.000 0.000 0.209 360 Q C 1.826 177.802 176.000 -0.040 0.000 0.999 360 Q CA 2.248 58.044 55.803 -0.013 0.000 0.857 360 Q CB -0.037 28.705 28.738 0.006 0.000 0.926 360 Q HN 0.402 nan 8.270 nan 0.000 0.415 361 E N -0.835 119.346 120.200 -0.033 0.000 2.118 361 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 361 E C 1.759 178.298 176.600 -0.101 0.000 0.992 361 E CA 1.319 57.695 56.400 -0.040 0.000 0.804 361 E CB -0.235 29.471 29.700 0.009 0.000 0.741 361 E HN 0.419 nan 8.360 nan 0.000 0.458 362 Y N 2.041 122.128 120.300 -0.355 0.000 2.145 362 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 362 Y C 1.744 177.482 175.900 -0.271 0.000 1.145 362 Y CA 1.793 59.615 58.100 -0.462 0.000 1.148 362 Y CB -0.054 37.753 38.460 -1.088 0.000 0.981 362 Y HN -0.050 nan 8.280 nan 0.000 0.507 363 D N 0.229 120.541 120.400 -0.148 0.000 2.182 363 D HA -0.176 4.464 4.640 -0.000 0.000 0.201 363 D C 1.916 178.113 176.300 -0.171 0.000 0.986 363 D CA 1.696 55.615 54.000 -0.136 0.000 0.847 363 D CB -0.160 40.619 40.800 -0.035 0.000 0.942 363 D HN 0.600 nan 8.370 nan 0.000 0.467 364 E N -0.372 119.740 120.200 -0.146 0.000 2.076 364 E HA 0.033 4.383 4.350 -0.000 0.000 0.190 364 E C 1.616 178.128 176.600 -0.145 0.000 0.979 364 E CA 0.959 57.291 56.400 -0.114 0.000 0.807 364 E CB 0.180 29.836 29.700 -0.074 0.000 0.761 364 E HN 0.197 nan 8.360 nan 0.000 0.454 365 A N 0.181 122.883 122.820 -0.198 0.000 2.358 365 A HA 0.462 4.782 4.320 -0.000 0.000 0.223 365 A C 0.908 178.335 177.584 -0.261 0.000 1.218 365 A CA 0.564 52.496 52.037 -0.174 0.000 0.942 365 A CB 0.454 19.391 19.000 -0.105 0.000 1.005 365 A HN 0.263 nan 8.150 nan 0.000 0.514 366 G N -0.225 108.265 108.800 -0.518 0.000 2.855 366 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.352 366 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.352 366 G C -1.571 173.104 174.900 -0.376 0.000 1.415 366 G CA -0.255 44.438 45.100 -0.678 0.000 0.871 366 G HN 0.058 nan 8.290 nan 0.000 0.543 367 P HA -0.082 nan 4.420 nan 0.000 0.224 367 P C 1.933 179.245 177.300 0.020 0.000 1.142 367 P CA 2.106 65.266 63.100 0.101 0.000 0.778 367 P CB -0.078 31.705 31.700 0.137 0.000 0.764 368 S N -1.473 114.246 115.700 0.032 0.000 2.522 368 S HA -0.064 4.406 4.470 -0.000 0.000 0.227 368 S C 1.819 176.482 174.600 0.106 0.000 0.986 368 S CA 0.079 58.379 58.200 0.168 0.000 0.929 368 S CB -1.433 61.894 63.200 0.210 0.000 0.769 368 S HN 0.126 nan 8.310 nan 0.000 0.529 369 I N 1.242 121.822 120.570 0.016 0.000 2.315 369 I HA -0.161 4.009 4.170 -0.000 0.000 0.251 369 I C 2.296 178.414 176.117 0.000 0.000 1.125 369 I CA 1.033 62.346 61.300 0.021 0.000 1.392 369 I CB -0.215 37.794 38.000 0.015 0.000 1.065 369 I HN 0.296 nan 8.210 nan 0.000 0.424 370 V N 1.747 121.606 119.914 -0.091 0.000 2.392 370 V HA -0.331 3.789 4.120 -0.000 0.000 0.249 370 V C 2.214 178.211 176.094 -0.163 0.000 1.059 370 V CA 2.390 64.603 62.300 -0.146 0.000 1.051 370 V CB -0.872 30.825 31.823 -0.211 0.000 0.658 370 V HN 0.571 nan 8.190 nan 0.000 0.455 371 H N -0.742 118.332 119.070 0.007 0.000 2.559 371 H HA 0.032 4.588 4.556 -0.000 0.000 0.273 371 H C 2.258 177.549 175.328 -0.061 0.000 1.000 371 H CA 0.932 56.959 56.048 -0.034 0.000 1.195 371 H CB 0.177 29.910 29.762 -0.047 0.000 1.368 371 H HN 0.414 nan 8.280 nan 0.000 0.592 372 R N 0.078 120.630 120.500 0.085 0.000 2.221 372 R HA 0.087 4.427 4.340 -0.000 0.000 0.195 372 R C 2.005 178.401 176.300 0.160 0.000 0.956 372 R CA -0.000 56.146 56.100 0.076 0.000 1.064 372 R CB 0.578 30.920 30.300 0.071 0.000 1.049 372 R HN -0.053 nan 8.270 nan 0.000 0.534 373 K N -0.454 120.024 120.400 0.129 0.000 2.262 373 K HA 0.156 4.476 4.320 -0.000 0.000 0.200 373 K C 0.078 176.771 176.600 0.156 0.000 1.049 373 K CA 0.536 56.914 56.287 0.152 0.000 0.979 373 K CB 0.618 33.183 32.500 0.109 0.000 0.773 373 K HN 0.082 nan 8.250 nan 0.000 0.474 374 C N 2.375 121.722 119.300 0.079 0.000 2.787 374 C HA 0.395 4.855 4.460 -0.000 0.000 0.265 374 C C 0.257 175.343 174.990 0.160 0.000 1.190 374 C CA -1.319 57.675 59.018 -0.040 0.000 1.616 374 C CB -1.665 25.892 27.740 -0.304 0.000 1.732 374 C HN 0.119 nan 8.230 nan 0.000 0.433 375 F N 0.000 119.987 119.950 0.062 0.000 2.286 375 F HA 0.000 4.527 4.527 0.000 0.000 0.279 375 F CA 0.000 58.072 58.000 0.120 0.000 1.383 375 F CB 0.000 39.148 39.000 0.247 0.000 1.145 375 F HN 0.000 nan 8.300 nan 0.000 0.574