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 2bvc_1_A DATA FIRST_RESID 4 DATA SEQUENCE KTPDDVFKLA KDEKVEYVDV RFCDLPGIMQ HFTIPASAFD KSVFDDGLAF DATA SEQUENCE DGSSIRGFQS IHESDMLLLP DPETARIDPF RAAKTLNINF FVHDPFTLEP DATA SEQUENCE YSRDPRNIAR KAENYLISTG IADTAYFGAE AEFYIFDSVS FDSRANGSFY DATA SEQUENCE EVDAISGWWN TGAATEADGS PNRGYKVRHK GGYFPVAPND QYVDLRDKML DATA SEQUENCE TNLINSGFIL EKGHHEVGSG GQAEINYQFN SLLHAADDMQ LYKYIIKNTA DATA SEQUENCE WQNGKTVTFM PKPLFGDNGS GMHCHQSLWK DGAPLMYDET GYAGLSDTAR DATA SEQUENCE HYIGGLLHHA PSLLAFTNPT VNSYKRLVPG YEAPINLVYS QRNRSACVRI DATA SEQUENCE PITGSNPKAK RLEFRSPDSS GNPYLAFSAM LMAGLDGIKN KIEPQAPVDK DATA SEQUENCE DLYELPPEEA ASIPQTPTQL SDVIDRLEAD HEYLTEGGVF TNDLIETWIS DATA SEQUENCE FKRENEIEPV NIRPHPYEFA LYYDV 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.595 176.600 -0.009 0.000 0.988 4 K CA 0.000 56.281 56.287 -0.010 0.000 0.838 4 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 5 T N -1.679 112.854 114.554 -0.036 0.000 2.949 5 T HA 0.510 4.861 4.350 0.001 0.000 0.287 5 T C -2.081 172.521 174.700 -0.165 0.000 1.034 5 T CA -2.246 59.809 62.100 -0.074 0.000 1.018 5 T CB 1.536 70.359 68.868 -0.073 0.000 1.135 5 T HN 0.137 nan 8.240 nan 0.000 0.532 6 P HA -0.126 nan 4.420 nan 0.000 0.216 6 P C 1.061 178.040 177.300 -0.534 0.000 1.157 6 P CA 1.206 63.798 63.100 -0.846 0.000 0.880 6 P CB -0.045 30.974 31.700 -1.134 0.000 0.791 7 D N -1.026 119.264 120.400 -0.184 0.000 2.178 7 D HA -0.142 4.499 4.640 0.001 0.000 0.201 7 D C 1.491 177.805 176.300 0.022 0.000 0.980 7 D CA 1.016 55.037 54.000 0.035 0.000 0.842 7 D CB -0.670 40.141 40.800 0.018 0.000 0.948 7 D HN 0.189 nan 8.370 nan 0.000 0.472 8 D N -0.129 120.248 120.400 -0.038 0.000 2.178 8 D HA -0.091 4.549 4.640 0.001 0.000 0.201 8 D C 2.229 178.529 176.300 0.000 0.000 0.980 8 D CA 0.417 54.410 54.000 -0.013 0.000 0.842 8 D CB 0.011 40.797 40.800 -0.024 0.000 0.948 8 D HN 0.137 nan 8.370 nan 0.000 0.472 9 V N 0.654 120.540 119.914 -0.048 0.000 2.407 9 V HA -0.174 3.947 4.120 0.001 0.000 0.245 9 V C 2.146 178.306 176.094 0.110 0.000 1.041 9 V CA 0.977 63.281 62.300 0.008 0.000 1.040 9 V CB -0.594 31.250 31.823 0.034 0.000 0.671 9 V HN 0.000 nan 8.190 nan 0.000 0.455 10 F N 1.103 121.138 119.950 0.141 0.000 2.126 10 F HA -0.173 4.355 4.527 0.001 0.000 0.299 10 F C 2.411 178.260 175.800 0.081 0.000 1.096 10 F CA 1.912 59.977 58.000 0.108 0.000 1.255 10 F CB -0.677 38.300 39.000 -0.038 0.000 0.997 10 F HN 0.113 nan 8.300 nan 0.000 0.479 11 K N 0.297 120.828 120.400 0.220 0.000 2.057 11 K HA -0.184 4.136 4.320 0.001 0.000 0.206 11 K C 2.161 178.822 176.600 0.102 0.000 1.050 11 K CA 1.102 57.464 56.287 0.125 0.000 0.935 11 K CB -0.450 32.096 32.500 0.076 0.000 0.715 11 K HN 0.203 nan 8.250 nan 0.000 0.439 12 L N 1.374 122.653 121.223 0.094 0.000 1.989 12 L HA -0.113 4.228 4.340 0.001 0.000 0.211 12 L C 2.330 179.249 176.870 0.082 0.000 1.071 12 L CA 2.228 57.108 54.840 0.066 0.000 0.749 12 L CB -0.909 41.176 42.059 0.043 0.000 0.890 12 L HN 0.269 nan 8.230 nan 0.000 0.431 13 A N -0.762 122.140 122.820 0.137 0.000 1.940 13 A HA -0.305 4.015 4.320 0.001 0.000 0.219 13 A C 2.448 180.105 177.584 0.122 0.000 1.176 13 A CA 2.221 54.345 52.037 0.146 0.000 0.631 13 A CB -0.638 18.532 19.000 0.282 0.000 0.814 13 A HN 0.537 nan 8.150 nan 0.000 0.446 14 K N -0.573 119.906 120.400 0.132 0.000 1.984 14 K HA -0.164 4.156 4.320 0.001 0.000 0.209 14 K C 1.505 178.138 176.600 0.055 0.000 1.046 14 K CA 1.604 57.945 56.287 0.089 0.000 0.934 14 K CB -0.207 32.343 32.500 0.085 0.000 0.717 14 K HN 0.333 nan 8.250 nan 0.000 0.438 15 D N 0.948 121.379 120.400 0.051 0.000 2.123 15 D HA -0.153 4.488 4.640 0.001 0.000 0.196 15 D C 1.620 177.935 176.300 0.025 0.000 0.992 15 D CA 1.067 55.087 54.000 0.032 0.000 0.833 15 D CB -0.094 40.723 40.800 0.028 0.000 0.954 15 D HN 0.286 nan 8.370 nan 0.000 0.455 16 E N 0.515 120.732 120.200 0.028 0.000 2.482 16 E HA -0.045 4.305 4.350 0.001 0.000 0.196 16 E C 0.175 176.785 176.600 0.016 0.000 1.047 16 E CA 0.120 56.531 56.400 0.018 0.000 0.869 16 E CB 0.026 29.735 29.700 0.015 0.000 0.836 16 E HN 0.386 nan 8.360 nan 0.000 0.520 17 K N 0.231 120.643 120.400 0.021 0.000 3.150 17 K HA -0.145 4.176 4.320 0.001 0.000 0.267 17 K C -0.394 176.208 176.600 0.004 0.000 1.028 17 K CA 0.082 56.377 56.287 0.013 0.000 0.753 17 K CB -1.929 30.575 32.500 0.007 0.000 1.288 17 K HN -0.055 nan 8.250 nan 0.000 0.473 18 V N 1.430 121.350 119.914 0.011 0.000 2.655 18 V HA -0.062 4.059 4.120 0.001 0.000 0.300 18 V C 1.701 177.764 176.094 -0.052 0.000 1.044 18 V CA 0.499 62.797 62.300 -0.002 0.000 1.095 18 V CB 1.234 33.065 31.823 0.013 0.000 0.952 18 V HN 0.362 nan 8.190 nan 0.000 0.485 19 E N 2.840 122.975 120.200 -0.107 0.000 2.166 19 E HA 0.087 4.437 4.350 0.001 0.000 0.192 19 E C -0.804 175.428 176.600 -0.613 0.000 0.967 19 E CA 0.774 56.960 56.400 -0.357 0.000 0.840 19 E CB 0.359 29.825 29.700 -0.390 0.000 0.795 19 E HN 0.699 nan 8.360 nan 0.000 0.470 20 Y N -0.703 119.613 120.300 0.027 0.000 2.553 20 Y HA 0.410 4.960 4.550 0.001 0.000 0.347 20 Y C -0.566 175.311 175.900 -0.038 0.000 1.019 20 Y CA -1.182 56.927 58.100 0.016 0.000 1.032 20 Y CB 1.746 40.220 38.460 0.024 0.000 1.284 20 Y HN -0.342 nan 8.280 nan 0.000 0.466 21 V N 1.676 121.653 119.914 0.104 0.000 2.448 21 V HA 0.286 4.406 4.120 0.001 0.000 0.295 21 V C -1.107 174.941 176.094 -0.076 0.000 1.025 21 V CA -0.818 61.424 62.300 -0.097 0.000 0.859 21 V CB 1.665 33.279 31.823 -0.349 0.000 0.988 21 V HN 0.705 nan 8.190 nan 0.000 0.431 22 D N 3.405 123.738 120.400 -0.112 0.000 2.359 22 D HA 0.407 5.047 4.640 0.001 0.000 0.230 22 D C -0.415 175.742 176.300 -0.240 0.000 1.118 22 D CA -0.096 53.823 54.000 -0.135 0.000 0.844 22 D CB 1.546 42.297 40.800 -0.081 0.000 1.059 22 D HN 0.302 nan 8.370 nan 0.000 0.493 23 V N 5.661 125.276 119.914 -0.497 0.000 2.427 23 V HA 0.338 4.458 4.120 0.001 0.000 0.268 23 V C 0.557 176.307 176.094 -0.574 0.000 1.046 23 V CA -0.135 61.698 62.300 -0.778 0.000 0.970 23 V CB 0.454 31.277 31.823 -1.667 0.000 1.001 23 V HN 0.454 nan 8.190 nan 0.000 0.476 24 R N 5.089 125.450 120.500 -0.232 0.000 2.740 24 R HA 0.838 5.178 4.340 0.001 0.000 0.282 24 R C -1.033 175.298 176.300 0.050 0.000 0.969 24 R CA -0.549 55.462 56.100 -0.148 0.000 0.918 24 R CB 2.483 32.679 30.300 -0.172 0.000 1.175 24 R HN 0.691 nan 8.270 nan 0.000 0.464 25 F N -1.990 117.846 119.950 -0.190 0.000 2.741 25 F HA 0.559 5.087 4.527 0.001 0.000 0.313 25 F C -1.212 174.508 175.800 -0.134 0.000 1.153 25 F CA -1.354 56.552 58.000 -0.157 0.000 0.931 25 F CB 0.896 39.803 39.000 -0.156 0.000 1.335 25 F HN 0.472 nan 8.300 nan 0.000 0.460 26 C N 2.972 122.279 119.300 0.011 0.000 2.341 26 C HA 0.569 5.029 4.460 0.001 0.000 0.338 26 C C -0.289 174.734 174.990 0.055 0.000 1.257 26 C CA -0.355 58.631 59.018 -0.053 0.000 1.883 26 C CB -0.224 27.493 27.740 -0.039 0.000 2.334 26 C HN 0.915 nan 8.230 nan 0.000 0.524 27 D N 3.512 123.832 120.400 -0.133 0.000 2.411 27 D HA 0.062 4.703 4.640 0.001 0.000 0.251 27 D C 0.882 177.198 176.300 0.027 0.000 1.201 27 D CA -0.641 53.236 54.000 -0.207 0.000 0.996 27 D CB 0.400 40.991 40.800 -0.349 0.000 1.101 27 D HN 0.353 nan 8.370 nan 0.000 0.504 28 L N 0.516 121.781 121.223 0.070 0.000 2.027 28 L HA 0.035 4.376 4.340 0.001 0.000 0.206 28 L C -1.001 176.007 176.870 0.229 0.000 1.074 28 L CA 1.639 56.608 54.840 0.215 0.000 0.745 28 L CB -1.553 40.661 42.059 0.260 0.000 0.898 28 L HN 0.410 nan 8.230 nan 0.000 0.433 29 P HA 0.013 nan 4.420 nan 0.000 0.218 29 P C 0.611 178.005 177.300 0.156 0.000 1.149 29 P CA 1.873 64.983 63.100 0.017 0.000 0.817 29 P CB -0.005 31.556 31.700 -0.231 0.000 0.785 30 G N -3.236 105.613 108.800 0.081 0.000 2.456 30 G HA2 -0.081 3.880 3.960 0.001 0.000 0.208 30 G HA3 -0.081 3.880 3.960 0.001 0.000 0.208 30 G C -0.210 174.695 174.900 0.008 0.000 1.004 30 G CA -0.573 44.575 45.100 0.080 0.000 0.791 30 G HN 0.062 nan 8.290 nan 0.000 0.537 31 I N 2.233 122.778 120.570 -0.042 0.000 2.385 31 I HA 0.485 4.656 4.170 0.001 0.000 0.294 31 I C 0.595 176.625 176.117 -0.145 0.000 0.988 31 I CA -0.728 60.521 61.300 -0.085 0.000 1.265 31 I CB 1.273 39.220 38.000 -0.089 0.000 1.388 31 I HN -0.040 nan 8.210 nan 0.000 0.480 32 M N 5.298 124.806 119.600 -0.154 0.000 2.233 32 M HA 0.225 4.706 4.480 0.001 0.000 0.350 32 M C 0.102 176.209 176.300 -0.323 0.000 1.176 32 M CA -0.176 54.984 55.300 -0.235 0.000 1.150 32 M CB 0.648 33.132 32.600 -0.193 0.000 1.530 32 M HN 0.421 nan 8.290 nan 0.000 0.459 33 Q N 2.103 121.569 119.800 -0.555 0.000 2.297 33 Q HA 0.620 4.961 4.340 0.001 0.000 0.268 33 Q C -0.787 174.940 176.000 -0.454 0.000 1.045 33 Q CA -0.535 54.901 55.803 -0.612 0.000 0.861 33 Q CB 2.363 30.410 28.738 -1.152 0.000 1.344 33 Q HN 0.885 nan 8.270 nan 0.000 0.452 34 H N -1.425 117.418 119.070 -0.378 0.000 3.064 34 H HA 0.715 5.272 4.556 0.001 0.000 0.352 34 H C -1.444 173.843 175.328 -0.068 0.000 1.260 34 H CA -0.968 54.911 56.048 -0.282 0.000 1.160 34 H CB 1.087 30.686 29.762 -0.272 0.000 1.879 34 H HN 0.518 nan 8.280 nan 0.000 0.544 35 F N -0.663 119.117 119.950 -0.284 0.000 2.643 35 F HA 0.779 5.307 4.527 0.001 0.000 0.314 35 F C -1.486 174.227 175.800 -0.145 0.000 1.096 35 F CA -1.007 56.810 58.000 -0.306 0.000 0.953 35 F CB 1.985 40.865 39.000 -0.199 0.000 1.345 35 F HN 0.616 nan 8.300 nan 0.000 0.468 36 T N 3.314 117.935 114.554 0.111 0.000 2.823 36 T HA 0.682 5.033 4.350 0.001 0.000 0.279 36 T C -0.442 174.366 174.700 0.180 0.000 0.998 36 T CA -0.533 61.602 62.100 0.059 0.000 0.994 36 T CB 1.302 70.158 68.868 -0.019 0.000 0.960 36 T HN 0.743 nan 8.240 nan 0.000 0.448 37 I N 0.951 121.630 120.570 0.182 0.000 2.646 37 I HA 0.725 4.896 4.170 0.001 0.000 0.299 37 I C -2.765 173.544 176.117 0.319 0.000 1.036 37 I CA -3.306 58.143 61.300 0.249 0.000 1.074 37 I CB 2.282 40.435 38.000 0.254 0.000 1.258 37 I HN 0.294 nan 8.210 nan 0.000 0.430 38 P HA 0.073 nan 4.420 nan 0.000 0.272 38 P C 0.525 177.914 177.300 0.148 0.000 1.223 38 P CA -0.096 63.141 63.100 0.228 0.000 0.784 38 P CB 1.151 32.950 31.700 0.164 0.000 0.923 39 A N 2.816 125.654 122.820 0.029 0.000 1.948 39 A HA -0.220 4.100 4.320 0.001 0.000 0.220 39 A C 2.246 179.934 177.584 0.174 0.000 1.177 39 A CA 2.510 54.614 52.037 0.112 0.000 0.636 39 A CB -1.802 17.214 19.000 0.026 0.000 0.815 39 A HN 0.679 nan 8.150 nan 0.000 0.449 40 S N -0.279 115.481 115.700 0.101 0.000 2.419 40 S HA 0.110 4.581 4.470 0.001 0.000 0.233 40 S C 1.769 176.444 174.600 0.125 0.000 1.016 40 S CA 1.165 59.420 58.200 0.091 0.000 0.974 40 S CB -0.445 62.787 63.200 0.052 0.000 0.786 40 S HN 0.967 nan 8.310 nan 0.000 0.492 41 A N 0.113 123.037 122.820 0.174 0.000 2.238 41 A HA 0.419 4.740 4.320 0.001 0.000 0.210 41 A C 0.543 178.304 177.584 0.296 0.000 1.179 41 A CA -0.350 51.804 52.037 0.195 0.000 0.827 41 A CB -0.489 18.621 19.000 0.184 0.000 0.856 41 A HN 0.517 nan 8.150 nan 0.000 0.488 42 F N 2.959 123.019 119.950 0.183 0.000 2.515 42 F HA 0.414 4.941 4.527 0.001 0.000 0.353 42 F C -0.280 175.755 175.800 0.392 0.000 1.213 42 F CA -1.724 56.444 58.000 0.279 0.000 1.194 42 F CB -0.328 38.833 39.000 0.268 0.000 1.488 42 F HN 0.359 nan 8.300 nan 0.000 0.619 43 D N 2.318 122.775 120.400 0.095 0.000 2.714 43 D HA 0.285 4.925 4.640 0.001 0.000 0.278 43 D C 0.553 176.946 176.300 0.155 0.000 1.102 43 D CA -0.770 53.221 54.000 -0.016 0.000 1.108 43 D CB 0.776 41.559 40.800 -0.027 0.000 1.444 43 D HN 0.169 nan 8.370 nan 0.000 0.568 44 K N -0.539 119.884 120.400 0.038 0.000 2.209 44 K HA -0.095 4.226 4.320 0.001 0.000 0.204 44 K C 1.775 178.493 176.600 0.197 0.000 1.048 44 K CA 1.004 57.396 56.287 0.175 0.000 0.940 44 K CB -0.153 32.347 32.500 0.000 0.000 0.729 44 K HN 0.317 nan 8.250 nan 0.000 0.451 45 S N 0.615 116.389 115.700 0.125 0.000 2.400 45 S HA -0.115 4.356 4.470 0.001 0.000 0.232 45 S C 1.894 176.580 174.600 0.145 0.000 1.025 45 S CA 0.967 59.234 58.200 0.112 0.000 0.993 45 S CB -0.123 63.124 63.200 0.078 0.000 0.808 45 S HN 0.081 nan 8.310 nan 0.000 0.478 46 V N 0.794 120.820 119.914 0.187 0.000 2.343 46 V HA -0.126 3.995 4.120 0.001 0.000 0.247 46 V C 1.985 178.118 176.094 0.065 0.000 1.051 46 V CA 1.891 64.290 62.300 0.166 0.000 1.036 46 V CB -0.877 31.076 31.823 0.217 0.000 0.654 46 V HN 0.509 nan 8.190 nan 0.000 0.451 47 F N 0.232 120.228 119.950 0.076 0.000 2.234 47 F HA -0.053 4.475 4.527 0.001 0.000 0.296 47 F C 2.238 178.048 175.800 0.017 0.000 1.089 47 F CA 1.363 59.379 58.000 0.027 0.000 1.343 47 F CB -0.343 38.657 39.000 0.001 0.000 1.040 47 F HN 0.192 nan 8.300 nan 0.000 0.498 48 D N -0.193 120.326 120.400 0.198 0.000 2.110 48 D HA -0.096 4.545 4.640 0.001 0.000 0.202 48 D C 1.562 177.894 176.300 0.054 0.000 0.975 48 D CA 1.370 55.432 54.000 0.103 0.000 0.839 48 D CB -0.306 40.544 40.800 0.082 0.000 0.996 48 D HN 0.191 nan 8.370 nan 0.000 0.464 49 D N -0.626 119.808 120.400 0.057 0.000 2.380 49 D HA 0.246 4.887 4.640 0.001 0.000 0.212 49 D C 1.317 177.633 176.300 0.028 0.000 1.021 49 D CA 0.886 54.904 54.000 0.030 0.000 0.884 49 D CB 0.928 41.747 40.800 0.032 0.000 1.001 49 D HN 0.234 nan 8.370 nan 0.000 0.506 50 G N 0.397 109.234 108.800 0.061 0.000 2.725 50 G HA2 -0.172 3.789 3.960 0.001 0.000 0.220 50 G HA3 -0.172 3.789 3.960 0.001 0.000 0.220 50 G C -0.902 174.065 174.900 0.112 0.000 1.357 50 G CA -0.582 44.573 45.100 0.092 0.000 0.866 50 G HN 0.188 nan 8.290 nan 0.000 0.548 51 L N -0.105 121.201 121.223 0.138 0.000 2.401 51 L HA 0.769 5.110 4.340 0.001 0.000 0.266 51 L C 0.734 177.675 176.870 0.117 0.000 0.991 51 L CA -0.610 54.311 54.840 0.136 0.000 0.818 51 L CB 2.121 44.319 42.059 0.231 0.000 1.321 51 L HN 1.292 nan 8.230 nan 0.000 0.413 52 A N 2.373 125.215 122.820 0.036 0.000 2.293 52 A HA 0.875 5.196 4.320 0.001 0.000 0.302 52 A C -0.853 176.748 177.584 0.028 0.000 1.119 52 A CA -0.199 51.825 52.037 -0.021 0.000 0.823 52 A CB 0.655 19.590 19.000 -0.109 0.000 1.097 52 A HN 0.635 nan 8.150 nan 0.000 0.491 53 F N -0.750 119.098 119.950 -0.169 0.000 2.745 53 F HA 0.625 5.153 4.527 0.001 0.000 0.316 53 F C -0.927 174.813 175.800 -0.100 0.000 1.155 53 F CA -1.270 56.638 58.000 -0.154 0.000 0.937 53 F CB 1.166 40.123 39.000 -0.073 0.000 1.361 53 F HN 0.408 nan 8.300 nan 0.000 0.472 54 D N 0.931 121.330 120.400 -0.002 0.000 2.393 54 D HA 0.291 4.932 4.640 0.001 0.000 0.232 54 D C 1.161 177.449 176.300 -0.020 0.000 1.192 54 D CA 0.161 54.113 54.000 -0.080 0.000 0.882 54 D CB 1.171 41.985 40.800 0.022 0.000 1.038 54 D HN 0.862 nan 8.370 nan 0.000 0.499 55 G N 2.178 110.789 108.800 -0.315 0.000 2.509 55 G HA2 -0.211 3.750 3.960 0.001 0.000 0.218 55 G HA3 -0.211 3.750 3.960 0.001 0.000 0.218 55 G C 1.356 176.350 174.900 0.158 0.000 1.124 55 G CA 0.840 45.917 45.100 -0.039 0.000 0.776 55 G HN 0.530 nan 8.290 nan 0.000 0.547 56 S N -0.556 115.184 115.700 0.067 0.000 2.527 56 S HA 0.122 4.593 4.470 0.001 0.000 0.222 56 S C 1.964 176.626 174.600 0.103 0.000 0.985 56 S CA 0.992 59.245 58.200 0.088 0.000 0.921 56 S CB 0.167 63.394 63.200 0.045 0.000 0.772 56 S HN 0.088 nan 8.310 nan 0.000 0.529 57 S N 0.991 116.759 115.700 0.112 0.000 2.556 57 S HA 0.409 4.880 4.470 0.001 0.000 0.216 57 S C 0.210 174.856 174.600 0.076 0.000 0.970 57 S CA -0.300 57.955 58.200 0.092 0.000 0.912 57 S CB -0.054 63.197 63.200 0.085 0.000 0.790 57 S HN 0.428 nan 8.310 nan 0.000 0.504 58 I N 2.634 123.258 120.570 0.090 0.000 2.359 58 I HA 0.332 4.502 4.170 0.001 0.000 0.294 58 I C 0.453 176.495 176.117 -0.125 0.000 0.987 58 I CA -0.615 60.629 61.300 -0.094 0.000 1.225 58 I CB 0.891 38.743 38.000 -0.246 0.000 1.366 58 I HN -0.051 nan 8.210 nan 0.000 0.466 59 R N 3.484 123.884 120.500 -0.168 0.000 2.489 59 R HA 0.344 4.685 4.340 0.001 0.000 0.287 59 R C 1.039 177.290 176.300 -0.082 0.000 1.053 59 R CA 0.662 56.712 56.100 -0.083 0.000 1.036 59 R CB 0.249 30.471 30.300 -0.130 0.000 0.966 59 R HN 0.999 nan 8.270 nan 0.000 0.432 60 G N 1.969 110.829 108.800 0.100 0.000 2.159 60 G HA2 -0.279 3.682 3.960 0.001 0.000 0.256 60 G HA3 -0.279 3.682 3.960 0.001 0.000 0.256 60 G C -0.009 175.213 174.900 0.537 0.000 0.977 60 G CA -0.099 45.145 45.100 0.241 0.000 0.652 60 G HN 0.464 nan 8.290 nan 0.000 0.531 61 F N 0.290 120.358 119.950 0.196 0.000 2.534 61 F HA 0.533 5.061 4.527 0.001 0.000 0.188 61 F C 1.385 177.327 175.800 0.236 0.000 1.180 61 F CA -0.109 58.075 58.000 0.306 0.000 0.995 61 F CB -0.745 38.450 39.000 0.325 0.000 1.362 61 F HN 0.020 nan 8.300 nan 0.000 0.632 62 Q N 0.518 120.537 119.800 0.366 0.000 2.204 62 Q HA 0.351 4.691 4.340 0.001 0.000 0.254 62 Q C -0.169 175.890 176.000 0.098 0.000 0.981 62 Q CA -0.515 55.378 55.803 0.150 0.000 0.897 62 Q CB 1.632 30.373 28.738 0.005 0.000 1.273 62 Q HN 0.494 nan 8.270 nan 0.000 0.464 63 S N -0.404 115.306 115.700 0.017 0.000 2.624 63 S HA 0.235 4.706 4.470 0.001 0.000 0.263 63 S C 1.194 175.778 174.600 -0.026 0.000 1.287 63 S CA -0.647 57.560 58.200 0.013 0.000 0.990 63 S CB 0.489 63.682 63.200 -0.010 0.000 0.950 63 S HN 0.729 nan 8.310 nan 0.000 0.561 64 I N 1.200 121.813 120.570 0.070 0.000 2.286 64 I HA -0.213 3.958 4.170 0.001 0.000 0.248 64 I C 2.397 178.553 176.117 0.065 0.000 1.115 64 I CA 1.582 62.924 61.300 0.071 0.000 1.392 64 I CB -0.258 37.802 38.000 0.099 0.000 1.065 64 I HN 0.904 nan 8.210 nan 0.000 0.418 65 H N -0.025 119.057 119.070 0.021 0.000 2.548 65 H HA 0.093 4.649 4.556 0.001 0.000 0.268 65 H C 0.347 175.687 175.328 0.021 0.000 0.975 65 H CA 0.426 56.485 56.048 0.018 0.000 1.195 65 H CB -0.342 29.433 29.762 0.021 0.000 1.397 65 H HN 0.476 nan 8.280 nan 0.000 0.572 66 E N 1.446 121.443 120.200 -0.338 0.000 3.388 66 E HA 0.099 4.449 4.350 0.001 0.000 0.214 66 E C 0.904 177.407 176.600 -0.161 0.000 1.040 66 E CA 0.035 56.307 56.400 -0.214 0.000 1.327 66 E CB 0.900 30.441 29.700 -0.265 0.000 1.243 66 E HN 0.463 nan 8.360 nan 0.000 0.444 67 S N -0.278 115.344 115.700 -0.130 0.000 2.345 67 S HA -0.119 4.351 4.470 0.001 0.000 0.220 67 S C 0.775 175.225 174.600 -0.249 0.000 1.031 67 S CA 0.481 58.595 58.200 -0.143 0.000 0.996 67 S CB -0.270 62.875 63.200 -0.092 0.000 0.882 67 S HN 0.135 nan 8.310 nan 0.000 0.445 68 D N 2.540 122.792 120.400 -0.247 0.000 2.531 68 D HA 0.323 4.964 4.640 0.001 0.000 0.239 68 D C 0.002 176.024 176.300 -0.462 0.000 1.144 68 D CA 0.926 54.720 54.000 -0.343 0.000 0.869 68 D CB 0.140 40.770 40.800 -0.283 0.000 1.160 68 D HN 0.209 nan 8.370 nan 0.000 0.484 69 M N 1.288 120.477 119.600 -0.685 0.000 2.667 69 M HA 0.517 4.998 4.480 0.001 0.000 0.286 69 M C -0.943 175.064 176.300 -0.489 0.000 1.270 69 M CA -0.949 53.922 55.300 -0.715 0.000 0.826 69 M CB 1.736 33.705 32.600 -1.052 0.000 1.743 69 M HN 0.245 nan 8.290 nan 0.000 0.460 70 L N 1.151 122.252 121.223 -0.203 0.000 2.354 70 L HA 0.751 5.091 4.340 0.001 0.000 0.269 70 L C -1.765 175.207 176.870 0.170 0.000 1.005 70 L CA -0.353 54.487 54.840 0.001 0.000 0.819 70 L CB 1.853 43.897 42.059 -0.026 0.000 1.311 70 L HN 0.621 nan 8.230 nan 0.000 0.423 71 L N 5.091 126.426 121.223 0.187 0.000 2.362 71 L HA 0.586 4.926 4.340 0.001 0.000 0.275 71 L C -1.173 175.910 176.870 0.356 0.000 0.998 71 L CA -0.465 54.519 54.840 0.240 0.000 0.820 71 L CB 1.837 43.918 42.059 0.037 0.000 1.270 71 L HN 0.459 nan 8.230 nan 0.000 0.415 72 L N 4.997 126.448 121.223 0.380 0.000 2.362 72 L HA 0.580 4.921 4.340 0.001 0.000 0.275 72 L C -2.227 174.613 176.870 -0.050 0.000 0.998 72 L CA -1.851 53.083 54.840 0.157 0.000 0.820 72 L CB 2.449 44.457 42.059 -0.085 0.000 1.270 72 L HN 0.313 nan 8.230 nan 0.000 0.415 73 P HA 0.033 nan 4.420 nan 0.000 0.272 73 P C -1.283 175.720 177.300 -0.495 0.000 1.230 73 P CA -0.159 62.134 63.100 -1.345 0.000 0.788 73 P CB 1.000 31.765 31.700 -1.557 0.000 0.949 74 D N 1.945 122.081 120.400 -0.440 0.000 2.454 74 D HA 0.192 4.833 4.640 0.001 0.000 0.247 74 D C -1.617 174.634 176.300 -0.082 0.000 1.129 74 D CA -2.551 51.394 54.000 -0.092 0.000 0.877 74 D CB 0.945 41.682 40.800 -0.104 0.000 1.082 74 D HN 0.076 nan 8.370 nan 0.000 0.537 75 P HA -0.120 nan 4.420 nan 0.000 0.221 75 P C 0.779 178.083 177.300 0.008 0.000 1.145 75 P CA 0.757 63.890 63.100 0.056 0.000 0.795 75 P CB 0.566 32.331 31.700 0.108 0.000 0.775 76 E N -0.234 119.978 120.200 0.019 0.000 2.268 76 E HA -0.073 4.278 4.350 0.001 0.000 0.195 76 E C 1.510 178.076 176.600 -0.056 0.000 0.995 76 E CA 1.556 57.951 56.400 -0.007 0.000 0.836 76 E CB -0.571 29.167 29.700 0.064 0.000 0.763 76 E HN 0.427 nan 8.360 nan 0.000 0.491 77 T N -1.941 112.578 114.554 -0.058 0.000 3.163 77 T HA 0.416 4.767 4.350 0.001 0.000 0.252 77 T C 0.624 175.268 174.700 -0.092 0.000 1.056 77 T CA -0.143 61.909 62.100 -0.081 0.000 0.947 77 T CB 0.281 69.098 68.868 -0.085 0.000 1.016 77 T HN 0.043 nan 8.240 nan 0.000 0.554 78 A N 2.490 125.260 122.820 -0.083 0.000 2.404 78 A HA 0.666 4.986 4.320 0.001 0.000 0.273 78 A C 0.173 177.711 177.584 -0.077 0.000 1.144 78 A CA -0.629 51.358 52.037 -0.082 0.000 0.806 78 A CB 0.233 19.197 19.000 -0.060 0.000 1.080 78 A HN 0.409 nan 8.150 nan 0.000 0.509 79 R N 2.297 122.751 120.500 -0.077 0.000 2.771 79 R HA 0.416 4.757 4.340 0.001 0.000 0.274 79 R C -0.975 175.292 176.300 -0.055 0.000 0.987 79 R CA -0.936 55.128 56.100 -0.061 0.000 0.908 79 R CB 1.132 31.402 30.300 -0.050 0.000 1.213 79 R HN 0.584 nan 8.270 nan 0.000 0.468 80 I N 1.688 122.232 120.570 -0.043 0.000 2.529 80 I HA 0.037 4.208 4.170 0.001 0.000 0.284 80 I C 0.893 176.983 176.117 -0.045 0.000 1.082 80 I CA -0.045 61.231 61.300 -0.039 0.000 1.406 80 I CB 0.358 38.337 38.000 -0.034 0.000 1.405 80 I HN 0.409 nan 8.210 nan 0.000 0.548 81 D N 8.612 128.993 120.400 -0.031 0.000 2.348 81 D HA 0.127 4.768 4.640 0.001 0.000 0.253 81 D C -1.699 174.525 176.300 -0.128 0.000 1.161 81 D CA -1.157 52.832 54.000 -0.019 0.000 0.876 81 D CB 1.987 42.825 40.800 0.063 0.000 1.160 81 D HN 0.271 nan 8.370 nan 0.000 0.459 82 P HA 0.078 nan 4.420 nan 0.000 0.245 82 P C 0.464 177.431 177.300 -0.555 0.000 1.206 82 P CA 0.449 63.208 63.100 -0.568 0.000 0.781 82 P CB 0.126 31.303 31.700 -0.870 0.000 0.994 83 F N -0.834 119.134 119.950 0.030 0.000 2.553 83 F HA 0.275 4.803 4.527 0.001 0.000 0.282 83 F C 1.257 177.074 175.800 0.028 0.000 1.089 83 F CA -0.323 57.683 58.000 0.010 0.000 1.411 83 F CB -0.555 38.424 39.000 -0.034 0.000 1.125 83 F HN -0.378 nan 8.300 nan 0.000 0.610 84 R N 0.827 121.448 120.500 0.202 0.000 2.389 84 R HA 0.388 4.729 4.340 0.001 0.000 0.295 84 R C 1.253 177.618 176.300 0.108 0.000 1.075 84 R CA 0.315 56.502 56.100 0.145 0.000 1.005 84 R CB 0.926 31.305 30.300 0.131 0.000 0.987 84 R HN 0.193 nan 8.270 nan 0.000 0.452 85 A N 3.362 126.242 122.820 0.100 0.000 1.902 85 A HA -0.043 4.277 4.320 0.001 0.000 0.217 85 A C 1.034 178.676 177.584 0.097 0.000 1.181 85 A CA 1.436 53.525 52.037 0.086 0.000 0.623 85 A CB -0.169 18.878 19.000 0.078 0.000 0.818 85 A HN 0.732 nan 8.150 nan 0.000 0.443 86 A N 0.306 123.205 122.820 0.132 0.000 2.350 86 A HA 0.452 4.773 4.320 0.001 0.000 0.293 86 A C 0.288 177.982 177.584 0.183 0.000 1.231 86 A CA -0.393 51.760 52.037 0.193 0.000 0.883 86 A CB -0.302 18.904 19.000 0.344 0.000 1.133 86 A HN 0.370 nan 8.150 nan 0.000 0.533 87 K N 2.356 122.824 120.400 0.114 0.000 2.473 87 K HA 0.128 4.449 4.320 0.001 0.000 0.277 87 K C -0.383 176.274 176.600 0.095 0.000 1.052 87 K CA 1.146 57.478 56.287 0.075 0.000 1.114 87 K CB -0.021 32.500 32.500 0.035 0.000 0.869 87 K HN 0.623 nan 8.250 nan 0.000 0.481 88 T N 4.962 119.563 114.554 0.077 0.000 2.886 88 T HA 0.373 4.723 4.350 0.001 0.000 0.292 88 T C -1.473 173.233 174.700 0.010 0.000 1.012 88 T CA -0.758 61.389 62.100 0.078 0.000 0.982 88 T CB 1.044 69.974 68.868 0.103 0.000 1.018 88 T HN 0.447 nan 8.240 nan 0.000 0.451 89 L N 3.914 125.119 121.223 -0.030 0.000 2.287 89 L HA 0.568 4.909 4.340 0.001 0.000 0.287 89 L C -0.722 176.075 176.870 -0.122 0.000 1.022 89 L CA -0.447 54.343 54.840 -0.084 0.000 0.814 89 L CB 0.790 42.775 42.059 -0.123 0.000 1.217 89 L HN 0.454 nan 8.230 nan 0.000 0.420 90 N N 6.494 125.127 118.700 -0.113 0.000 2.455 90 N HA 0.550 5.291 4.740 0.001 0.000 0.280 90 N C -1.001 174.433 175.510 -0.127 0.000 1.055 90 N CA -0.034 52.934 53.050 -0.136 0.000 0.961 90 N CB 1.785 40.171 38.487 -0.168 0.000 1.121 90 N HN 0.545 nan 8.380 nan 0.000 0.476 91 I N 1.484 121.997 120.570 -0.094 0.000 2.569 91 I HA 0.227 4.398 4.170 0.001 0.000 0.290 91 I C -0.509 175.635 176.117 0.044 0.000 1.088 91 I CA -0.933 60.327 61.300 -0.067 0.000 1.047 91 I CB 1.853 39.784 38.000 -0.115 0.000 1.237 91 I HN 0.189 nan 8.210 nan 0.000 0.421 92 N N 4.787 123.459 118.700 -0.047 0.000 2.530 92 N HA 0.529 5.270 4.740 0.001 0.000 0.277 92 N C -1.110 174.352 175.510 -0.080 0.000 1.168 92 N CA 0.172 53.214 53.050 -0.013 0.000 0.979 92 N CB 0.781 39.197 38.487 -0.119 0.000 1.141 92 N HN 0.316 nan 8.380 nan 0.000 0.459 93 F N 0.269 120.089 119.950 -0.217 0.000 2.579 93 F HA 0.500 5.027 4.527 0.001 0.000 0.324 93 F C -0.112 175.531 175.800 -0.261 0.000 1.058 93 F CA -0.983 56.910 58.000 -0.179 0.000 0.944 93 F CB 1.243 40.190 39.000 -0.090 0.000 1.245 93 F HN 0.222 nan 8.300 nan 0.000 0.477 94 F N 1.201 121.258 119.950 0.178 0.000 2.399 94 F HA 0.538 5.066 4.527 0.001 0.000 0.334 94 F C -0.080 175.845 175.800 0.208 0.000 1.097 94 F CA -0.920 57.165 58.000 0.142 0.000 1.076 94 F CB 1.230 40.326 39.000 0.160 0.000 1.162 94 F HN -0.077 nan 8.300 nan 0.000 0.495 95 V N 3.447 123.519 119.914 0.265 0.000 2.509 95 V HA 0.299 4.419 4.120 0.001 0.000 0.284 95 V C -0.121 175.996 176.094 0.039 0.000 1.047 95 V CA -0.509 61.886 62.300 0.157 0.000 0.952 95 V CB 0.801 32.679 31.823 0.092 0.000 0.988 95 V HN 0.672 nan 8.190 nan 0.000 0.469 96 H N 1.748 120.824 119.070 0.011 0.000 2.821 96 H HA 0.285 4.842 4.556 0.001 0.000 0.373 96 H C -0.820 174.437 175.328 -0.119 0.000 1.165 96 H CA -0.765 55.273 56.048 -0.016 0.000 1.154 96 H CB 2.392 32.159 29.762 0.009 0.000 1.765 96 H HN 0.686 nan 8.280 nan 0.000 0.549 97 D N 2.738 123.153 120.400 0.024 0.000 2.424 97 D HA -0.008 4.633 4.640 0.001 0.000 0.244 97 D C -1.638 174.636 176.300 -0.044 0.000 1.134 97 D CA -1.166 52.814 54.000 -0.034 0.000 0.881 97 D CB 1.644 42.474 40.800 0.051 0.000 1.191 97 D HN 0.285 nan 8.370 nan 0.000 0.445 98 P HA -0.008 nan 4.420 nan 0.000 0.236 98 P C 0.915 178.011 177.300 -0.339 0.000 1.177 98 P CA 0.457 63.386 63.100 -0.284 0.000 0.773 98 P CB 0.141 31.573 31.700 -0.447 0.000 0.878 99 F N 0.877 120.804 119.950 -0.039 0.000 2.298 99 F HA 0.007 4.535 4.527 0.001 0.000 0.282 99 F C 2.608 178.402 175.800 -0.011 0.000 1.045 99 F CA 1.890 59.874 58.000 -0.025 0.000 1.280 99 F CB -1.460 37.525 39.000 -0.027 0.000 1.114 99 F HN -0.107 nan 8.300 nan 0.000 0.546 100 T N -2.051 112.622 114.554 0.199 0.000 3.067 100 T HA 0.068 4.419 4.350 0.001 0.000 0.261 100 T C 1.221 175.973 174.700 0.086 0.000 1.110 100 T CA 0.652 62.823 62.100 0.118 0.000 1.113 100 T CB -0.472 68.453 68.868 0.096 0.000 0.917 100 T HN 0.281 nan 8.240 nan 0.000 0.499 101 L N -0.813 120.461 121.223 0.084 0.000 4.696 101 L HA -0.147 4.194 4.340 0.001 0.000 0.425 101 L C -0.149 176.849 176.870 0.213 0.000 1.115 101 L CA 0.416 55.310 54.840 0.091 0.000 0.996 101 L CB -1.997 40.074 42.059 0.021 0.000 2.077 101 L HN 0.355 nan 8.230 nan 0.000 0.792 102 E N 0.797 121.097 120.200 0.166 0.000 2.373 102 E HA 0.320 4.671 4.350 0.001 0.000 0.263 102 E C -1.981 174.653 176.600 0.057 0.000 1.073 102 E CA -1.938 54.541 56.400 0.132 0.000 0.894 102 E CB 0.316 30.048 29.700 0.054 0.000 1.008 102 E HN -0.026 nan 8.360 nan 0.000 0.420 103 P HA -0.060 nan 4.420 nan 0.000 0.266 103 P C -0.503 176.688 177.300 -0.181 0.000 1.195 103 P CA 0.161 62.973 63.100 -0.481 0.000 0.768 103 P CB 0.118 31.603 31.700 -0.360 0.000 0.838 104 Y N 2.484 122.584 120.300 -0.334 0.000 2.377 104 Y HA 0.059 4.610 4.550 0.001 0.000 0.330 104 Y C 1.697 177.458 175.900 -0.231 0.000 1.108 104 Y CA -0.421 57.528 58.100 -0.252 0.000 1.308 104 Y CB 0.477 38.761 38.460 -0.293 0.000 1.216 104 Y HN 0.426 nan 8.280 nan 0.000 0.518 105 S N 4.534 119.982 115.700 -0.420 0.000 2.447 105 S HA -0.056 4.415 4.470 0.001 0.000 0.233 105 S C 1.033 175.294 174.600 -0.564 0.000 1.006 105 S CA 0.883 58.830 58.200 -0.422 0.000 0.957 105 S CB -0.121 62.903 63.200 -0.293 0.000 0.773 105 S HN 0.784 nan 8.310 nan 0.000 0.507 106 R N 1.123 121.018 120.500 -1.007 0.000 2.633 106 R HA 0.299 4.640 4.340 0.001 0.000 0.348 106 R C -0.973 175.020 176.300 -0.511 0.000 1.100 106 R CA -0.148 55.526 56.100 -0.710 0.000 1.068 106 R CB 0.116 30.040 30.300 -0.628 0.000 1.351 106 R HN 0.296 nan 8.270 nan 0.000 0.575 107 D N 1.129 121.298 120.400 -0.385 0.000 2.347 107 D HA 0.139 4.780 4.640 0.001 0.000 0.235 107 D C -1.708 174.510 176.300 -0.137 0.000 1.149 107 D CA -2.547 51.395 54.000 -0.096 0.000 0.850 107 D CB 1.771 42.571 40.800 0.001 0.000 1.061 107 D HN -0.127 nan 8.370 nan 0.000 0.487 108 P HA -0.105 nan 4.420 nan 0.000 0.216 108 P C 1.141 178.245 177.300 -0.328 0.000 1.150 108 P CA 1.056 64.037 63.100 -0.198 0.000 0.837 108 P CB 0.259 31.897 31.700 -0.104 0.000 0.786 109 R N -0.985 119.227 120.500 -0.481 0.000 2.115 109 R HA -0.103 4.237 4.340 0.001 0.000 0.230 109 R C 2.123 178.446 176.300 0.037 0.000 1.111 109 R CA 1.287 57.130 56.100 -0.428 0.000 0.976 109 R CB -0.919 29.035 30.300 -0.576 0.000 0.870 109 R HN 0.198 nan 8.270 nan 0.000 0.445 110 N N 1.133 119.861 118.700 0.047 0.000 2.166 110 N HA -0.130 4.610 4.740 0.001 0.000 0.186 110 N C 1.595 177.030 175.510 -0.125 0.000 1.019 110 N CA 1.143 54.184 53.050 -0.016 0.000 0.856 110 N CB -0.005 38.420 38.487 -0.102 0.000 0.993 110 N HN 0.031 nan 8.380 nan 0.000 0.426 111 I N 0.846 121.286 120.570 -0.217 0.000 2.179 111 I HA -0.171 4.000 4.170 0.001 0.000 0.242 111 I C 2.317 178.302 176.117 -0.219 0.000 1.088 111 I CA 1.170 62.262 61.300 -0.347 0.000 1.357 111 I CB -1.884 35.762 38.000 -0.591 0.000 1.051 111 I HN 0.157 nan 8.210 nan 0.000 0.409 112 A N 0.617 123.381 122.820 -0.095 0.000 1.902 112 A HA -0.220 4.101 4.320 0.001 0.000 0.217 112 A C 2.558 180.154 177.584 0.021 0.000 1.181 112 A CA 1.473 53.516 52.037 0.010 0.000 0.623 112 A CB -0.652 18.434 19.000 0.145 0.000 0.818 112 A HN 0.296 nan 8.150 nan 0.000 0.443 113 R N -0.168 120.348 120.500 0.027 0.000 2.073 113 R HA -0.136 4.205 4.340 0.001 0.000 0.234 113 R C 2.131 178.416 176.300 -0.024 0.000 1.134 113 R CA 1.830 57.934 56.100 0.006 0.000 0.952 113 R CB -0.241 30.043 30.300 -0.027 0.000 0.850 113 R HN 0.544 nan 8.270 nan 0.000 0.433 114 K N -0.340 120.026 120.400 -0.057 0.000 2.057 114 K HA -0.088 4.233 4.320 0.001 0.000 0.207 114 K C 2.091 178.704 176.600 0.022 0.000 1.049 114 K CA 1.246 57.506 56.287 -0.046 0.000 0.931 114 K CB -0.128 32.307 32.500 -0.109 0.000 0.714 114 K HN 0.158 nan 8.250 nan 0.000 0.440 115 A N 1.931 124.760 122.820 0.015 0.000 1.883 115 A HA -0.234 4.086 4.320 0.001 0.000 0.217 115 A C 1.933 179.606 177.584 0.149 0.000 1.186 115 A CA 1.639 53.737 52.037 0.103 0.000 0.624 115 A CB -0.429 18.626 19.000 0.091 0.000 0.822 115 A HN 0.315 nan 8.150 nan 0.000 0.444 116 E N -0.276 119.977 120.200 0.089 0.000 2.110 116 E HA -0.169 4.182 4.350 0.001 0.000 0.193 116 E C 1.700 178.336 176.600 0.061 0.000 0.988 116 E CA 1.072 57.514 56.400 0.070 0.000 0.804 116 E CB -0.221 29.494 29.700 0.024 0.000 0.745 116 E HN 0.546 nan 8.360 nan 0.000 0.458 117 N N 0.331 119.066 118.700 0.059 0.000 2.188 117 N HA -0.155 4.586 4.740 0.001 0.000 0.184 117 N C 1.640 177.201 175.510 0.084 0.000 1.018 117 N CA 0.801 53.881 53.050 0.050 0.000 0.858 117 N CB -0.357 38.149 38.487 0.031 0.000 0.989 117 N HN 0.238 nan 8.380 nan 0.000 0.426 118 Y N 1.657 121.963 120.300 0.010 0.000 2.181 118 Y HA -0.134 4.416 4.550 0.001 0.000 0.288 118 Y C 2.253 178.174 175.900 0.036 0.000 1.146 118 Y CA 0.904 59.017 58.100 0.021 0.000 1.164 118 Y CB -0.524 37.952 38.460 0.026 0.000 0.982 118 Y HN -0.032 nan 8.280 nan 0.000 0.515 119 L N 0.590 121.820 121.223 0.011 0.000 1.990 119 L HA -0.256 4.084 4.340 0.001 0.000 0.213 119 L C 2.204 179.013 176.870 -0.102 0.000 1.072 119 L CA 2.093 56.903 54.840 -0.051 0.000 0.755 119 L CB -0.974 41.126 42.059 0.069 0.000 0.889 119 L HN 0.366 nan 8.230 nan 0.000 0.432 120 I N -0.424 120.115 120.570 -0.052 0.000 2.163 120 I HA -0.322 3.849 4.170 0.001 0.000 0.243 120 I C 2.607 178.676 176.117 -0.079 0.000 1.085 120 I CA 1.581 62.854 61.300 -0.044 0.000 1.347 120 I CB -0.669 37.322 38.000 -0.015 0.000 1.044 120 I HN 0.528 nan 8.210 nan 0.000 0.408 121 S N 0.066 115.699 115.700 -0.113 0.000 2.469 121 S HA -0.182 4.288 4.470 0.001 0.000 0.238 121 S C 1.970 176.465 174.600 -0.174 0.000 0.998 121 S CA 1.524 59.652 58.200 -0.120 0.000 0.957 121 S CB -1.065 62.082 63.200 -0.089 0.000 0.764 121 S HN 0.628 nan 8.310 nan 0.000 0.514 122 T N -2.978 111.418 114.554 -0.265 0.000 3.014 122 T HA 0.415 4.765 4.350 0.001 0.000 0.263 122 T C 1.898 176.532 174.700 -0.110 0.000 1.078 122 T CA 1.035 62.995 62.100 -0.233 0.000 1.135 122 T CB -0.739 67.947 68.868 -0.303 0.000 0.895 122 T HN 1.210 nan 8.240 nan 0.000 0.480 123 G N 1.262 110.013 108.800 -0.081 0.000 2.267 123 G HA2 -0.306 3.655 3.960 0.001 0.000 0.257 123 G HA3 -0.306 3.655 3.960 0.001 0.000 0.257 123 G C 0.890 175.777 174.900 -0.021 0.000 0.998 123 G CA 0.339 45.416 45.100 -0.039 0.000 0.620 123 G HN 0.560 nan 8.290 nan 0.000 0.529 124 I N 1.047 121.602 120.570 -0.026 0.000 2.163 124 I HA 0.209 4.380 4.170 0.001 0.000 0.243 124 I C 1.658 177.788 176.117 0.021 0.000 1.085 124 I CA 1.899 63.202 61.300 0.005 0.000 1.347 124 I CB -0.264 37.747 38.000 0.019 0.000 1.044 124 I HN 0.728 nan 8.210 nan 0.000 0.408 125 A N 0.027 122.860 122.820 0.022 0.000 2.581 125 A HA 0.423 4.743 4.320 0.001 0.000 0.290 125 A C -0.843 176.762 177.584 0.034 0.000 1.119 125 A CA -0.141 51.922 52.037 0.044 0.000 0.670 125 A CB 0.711 19.754 19.000 0.071 0.000 1.280 125 A HN 0.217 nan 8.150 nan 0.000 0.425 126 D N -1.326 119.104 120.400 0.049 0.000 2.441 126 D HA 0.280 4.921 4.640 0.001 0.000 0.210 126 D C 0.047 176.349 176.300 0.004 0.000 1.102 126 D CA 0.647 54.664 54.000 0.028 0.000 0.840 126 D CB 0.677 41.498 40.800 0.034 0.000 0.990 126 D HN 0.323 nan 8.370 nan 0.000 0.505 127 T N 0.260 114.811 114.554 -0.005 0.000 2.991 127 T HA 0.704 5.055 4.350 0.001 0.000 0.303 127 T C -1.135 173.482 174.700 -0.139 0.000 1.015 127 T CA -0.772 61.239 62.100 -0.150 0.000 1.007 127 T CB 1.826 70.483 68.868 -0.353 0.000 1.034 127 T HN 0.197 nan 8.240 nan 0.000 0.446 128 A N 3.073 125.833 122.820 -0.100 0.000 2.258 128 A HA 0.718 5.039 4.320 0.001 0.000 0.316 128 A C -1.192 176.389 177.584 -0.005 0.000 1.279 128 A CA -0.525 51.518 52.037 0.011 0.000 0.876 128 A CB 0.119 19.270 19.000 0.252 0.000 1.170 128 A HN 0.754 nan 8.150 nan 0.000 0.520 129 Y N 1.177 121.510 120.300 0.056 0.000 2.320 129 Y HA 0.524 5.074 4.550 0.001 0.000 0.334 129 Y C -0.422 175.421 175.900 -0.095 0.000 1.055 129 Y CA -0.351 57.797 58.100 0.080 0.000 1.143 129 Y CB 1.088 39.532 38.460 -0.026 0.000 1.193 129 Y HN 0.574 nan 8.280 nan 0.000 0.477 130 F N 1.327 121.378 119.950 0.168 0.000 2.477 130 F HA 0.593 5.120 4.527 0.001 0.000 0.335 130 F C 0.532 176.356 175.800 0.041 0.000 1.130 130 F CA -0.963 57.003 58.000 -0.058 0.000 0.948 130 F CB 1.979 40.712 39.000 -0.444 0.000 1.154 130 F HN 0.594 nan 8.300 nan 0.000 0.439 131 G N 2.397 111.278 108.800 0.136 0.000 2.522 131 G HA2 0.631 4.592 3.960 0.001 0.000 0.318 131 G HA3 0.631 4.592 3.960 0.001 0.000 0.318 131 G C -1.197 173.735 174.900 0.052 0.000 1.192 131 G CA -0.575 44.580 45.100 0.092 0.000 0.988 131 G HN 0.825 nan 8.290 nan 0.000 0.480 132 A N 2.893 125.701 122.820 -0.020 0.000 2.317 132 A HA 0.757 5.078 4.320 0.001 0.000 0.327 132 A C -0.054 177.480 177.584 -0.083 0.000 1.178 132 A CA -0.750 51.322 52.037 0.058 0.000 0.817 132 A CB 1.014 20.157 19.000 0.237 0.000 1.189 132 A HN 0.631 nan 8.150 nan 0.000 0.489 133 E N 1.853 122.070 120.200 0.027 0.000 2.173 133 E HA 0.440 4.791 4.350 0.001 0.000 0.249 133 E C -0.421 176.197 176.600 0.030 0.000 0.923 133 E CA -0.371 56.018 56.400 -0.018 0.000 0.754 133 E CB 1.419 31.136 29.700 0.028 0.000 1.177 133 E HN 0.658 nan 8.360 nan 0.000 0.430 134 A N 3.970 126.872 122.820 0.136 0.000 2.506 134 A HA 0.176 4.497 4.320 0.001 0.000 0.320 134 A C 0.079 177.956 177.584 0.488 0.000 1.424 134 A CA -0.485 51.783 52.037 0.386 0.000 1.044 134 A CB 0.030 19.395 19.000 0.608 0.000 1.140 134 A HN 0.519 nan 8.150 nan 0.000 0.538 135 E N 0.841 121.159 120.200 0.197 0.000 2.392 135 E HA 0.544 4.895 4.350 0.001 0.000 0.259 135 E C -0.507 176.048 176.600 -0.075 0.000 1.108 135 E CA 0.252 56.633 56.400 -0.032 0.000 0.916 135 E CB 0.742 30.351 29.700 -0.152 0.000 0.989 135 E HN 0.697 nan 8.360 nan 0.000 0.432 136 F N -1.562 118.100 119.950 -0.479 0.000 2.741 136 F HA 0.484 5.012 4.527 0.001 0.000 0.313 136 F C -1.759 173.643 175.800 -0.663 0.000 1.153 136 F CA -1.298 56.277 58.000 -0.709 0.000 0.931 136 F CB 0.833 39.021 39.000 -1.353 0.000 1.335 136 F HN 0.234 nan 8.300 nan 0.000 0.460 137 Y N 1.875 121.907 120.300 -0.446 0.000 2.352 137 Y HA 0.634 5.184 4.550 0.001 0.000 0.339 137 Y C -0.092 175.436 175.900 -0.620 0.000 0.992 137 Y CA -0.857 56.821 58.100 -0.704 0.000 1.100 137 Y CB 1.867 39.646 38.460 -1.135 0.000 1.192 137 Y HN 0.491 nan 8.280 nan 0.000 0.458 138 I N 5.516 125.820 120.570 -0.443 0.000 2.276 138 I HA 0.159 4.330 4.170 0.001 0.000 0.290 138 I C -0.805 175.238 176.117 -0.123 0.000 1.109 138 I CA -0.128 61.014 61.300 -0.264 0.000 1.229 138 I CB -0.359 37.433 38.000 -0.345 0.000 1.452 138 I HN 0.350 nan 8.210 nan 0.000 0.497 139 F N 3.417 123.444 119.950 0.127 0.000 2.380 139 F HA 0.263 4.791 4.527 0.001 0.000 0.319 139 F C 1.455 177.345 175.800 0.150 0.000 1.113 139 F CA -0.665 57.438 58.000 0.171 0.000 1.056 139 F CB 0.521 39.626 39.000 0.175 0.000 1.289 139 F HN 0.344 nan 8.300 nan 0.000 0.515 140 D N -0.799 119.831 120.400 0.384 0.000 2.338 140 D HA 0.080 4.720 4.640 0.001 0.000 0.208 140 D C 0.139 176.528 176.300 0.148 0.000 0.997 140 D CA 0.815 54.943 54.000 0.213 0.000 0.880 140 D CB 0.331 41.239 40.800 0.181 0.000 0.980 140 D HN 0.368 nan 8.370 nan 0.000 0.509 141 S N -1.156 114.649 115.700 0.175 0.000 2.595 141 S HA 0.571 5.042 4.470 0.001 0.000 0.270 141 S C -1.434 173.229 174.600 0.105 0.000 1.145 141 S CA -0.869 57.400 58.200 0.115 0.000 0.825 141 S CB 2.234 65.480 63.200 0.076 0.000 1.107 141 S HN -0.075 nan 8.310 nan 0.000 0.461 142 V N 1.344 121.327 119.914 0.116 0.000 3.000 142 V HA 0.883 5.003 4.120 0.001 0.000 0.300 142 V C -1.336 174.827 176.094 0.115 0.000 1.251 142 V CA 0.496 62.879 62.300 0.138 0.000 0.972 142 V CB 1.915 33.873 31.823 0.225 0.000 1.065 142 V HN 1.892 nan 8.190 nan 0.000 0.431 143 S N 5.339 121.111 115.700 0.120 0.000 2.579 143 S HA 1.002 5.473 4.470 0.001 0.000 0.272 143 S C -1.066 173.424 174.600 -0.184 0.000 1.141 143 S CA -0.615 57.550 58.200 -0.058 0.000 0.843 143 S CB 2.058 65.329 63.200 0.118 0.000 1.122 143 S HN 1.949 nan 8.310 nan 0.000 0.468 144 F N -1.341 118.294 119.950 -0.526 0.000 2.770 144 F HA 0.850 5.378 4.527 0.001 0.000 0.313 144 F C -1.745 173.654 175.800 -0.667 0.000 1.154 144 F CA -0.801 56.623 58.000 -0.960 0.000 0.923 144 F CB 0.638 39.388 39.000 -0.417 0.000 1.301 144 F HN 0.836 nan 8.300 nan 0.000 0.449 145 D N -0.202 119.980 120.400 -0.363 0.000 2.713 145 D HA 0.618 5.258 4.640 0.001 0.000 0.306 145 D C -1.767 174.556 176.300 0.038 0.000 1.299 145 D CA -0.626 53.356 54.000 -0.029 0.000 0.823 145 D CB 1.555 42.379 40.800 0.041 0.000 1.353 145 D HN 0.755 nan 8.370 nan 0.000 0.447 146 S N -0.615 115.121 115.700 0.060 0.000 2.750 146 S HA 0.633 5.103 4.470 0.001 0.000 0.276 146 S C -1.207 173.421 174.600 0.047 0.000 1.165 146 S CA -0.659 57.570 58.200 0.049 0.000 1.047 146 S CB 0.389 63.611 63.200 0.036 0.000 1.056 146 S HN 0.510 nan 8.310 nan 0.000 0.481 147 R N 1.686 122.214 120.500 0.047 0.000 2.960 147 R HA 0.747 5.088 4.340 0.001 0.000 0.249 147 R C 1.307 177.629 176.300 0.037 0.000 1.192 147 R CA -0.363 55.761 56.100 0.039 0.000 1.035 147 R CB 0.582 30.905 30.300 0.039 0.000 1.234 147 R HN 0.570 nan 8.270 nan 0.000 0.493 148 A N 1.017 123.858 122.820 0.035 0.000 1.902 148 A HA -0.183 4.138 4.320 0.001 0.000 0.217 148 A C 1.234 178.847 177.584 0.049 0.000 1.181 148 A CA 1.944 54.005 52.037 0.041 0.000 0.623 148 A CB -0.522 18.499 19.000 0.036 0.000 0.818 148 A HN 0.794 nan 8.150 nan 0.000 0.443 149 N N -0.936 117.783 118.700 0.032 0.000 2.203 149 N HA 0.315 5.055 4.740 0.001 0.000 0.207 149 N C 0.355 175.844 175.510 -0.034 0.000 1.130 149 N CA 0.943 54.006 53.050 0.021 0.000 0.861 149 N CB 0.581 39.079 38.487 0.018 0.000 1.005 149 N HN 0.461 nan 8.380 nan 0.000 0.507 150 G N -1.149 107.631 108.800 -0.033 0.000 2.489 150 G HA2 0.445 4.406 3.960 0.001 0.000 0.291 150 G HA3 0.445 4.406 3.960 0.001 0.000 0.291 150 G C -2.106 172.792 174.900 -0.003 0.000 1.487 150 G CA -0.438 44.619 45.100 -0.072 0.000 0.795 150 G HN 0.149 nan 8.290 nan 0.000 0.513 151 S N -1.005 114.701 115.700 0.010 0.000 2.542 151 S HA 0.826 5.297 4.470 0.001 0.000 0.276 151 S C -1.453 173.243 174.600 0.159 0.000 1.148 151 S CA -0.531 57.715 58.200 0.077 0.000 0.886 151 S CB 0.976 64.190 63.200 0.024 0.000 1.109 151 S HN 1.866 nan 8.310 nan 0.000 0.458 152 F N 2.794 122.750 119.950 0.010 0.000 2.686 152 F HA 0.892 5.420 4.527 0.001 0.000 0.311 152 F C -1.757 174.128 175.800 0.142 0.000 1.128 152 F CA -1.099 56.901 58.000 -0.001 0.000 0.946 152 F CB 0.907 39.869 39.000 -0.064 0.000 1.336 152 F HN 0.698 nan 8.300 nan 0.000 0.457 153 Y N -0.425 119.807 120.300 -0.114 0.000 2.597 153 Y HA 0.788 5.339 4.550 0.001 0.000 0.340 153 Y C -1.839 174.106 175.900 0.075 0.000 1.097 153 Y CA -1.095 56.881 58.100 -0.207 0.000 1.037 153 Y CB 1.988 40.349 38.460 -0.165 0.000 1.305 153 Y HN 0.983 nan 8.280 nan 0.000 0.463 154 E N 2.378 122.638 120.200 0.099 0.000 2.343 154 E HA 0.512 4.862 4.350 0.001 0.000 0.286 154 E C -1.839 174.768 176.600 0.012 0.000 0.915 154 E CA -0.851 55.522 56.400 -0.045 0.000 0.784 154 E CB 2.741 32.453 29.700 0.020 0.000 1.251 154 E HN 0.899 nan 8.360 nan 0.000 0.407 155 V N 0.536 120.357 119.914 -0.156 0.000 2.850 155 V HA 0.811 4.932 4.120 0.001 0.000 0.315 155 V C -0.477 175.416 176.094 -0.336 0.000 1.064 155 V CA -0.483 61.597 62.300 -0.367 0.000 0.979 155 V CB 1.914 33.206 31.823 -0.885 0.000 1.039 155 V HN 0.675 nan 8.190 nan 0.000 0.452 156 D N 0.695 120.984 120.400 -0.185 0.000 2.655 156 D HA 0.830 5.471 4.640 0.001 0.000 0.229 156 D C -1.032 175.461 176.300 0.321 0.000 1.229 156 D CA 0.345 54.468 54.000 0.206 0.000 0.807 156 D CB 2.311 43.232 40.800 0.202 0.000 1.514 156 D HN 1.280 nan 8.370 nan 0.000 0.444 157 A N 2.428 125.533 122.820 0.475 0.000 2.566 157 A HA 0.394 4.715 4.320 0.001 0.000 0.297 157 A C 0.575 178.280 177.584 0.201 0.000 1.059 157 A CA -0.682 51.601 52.037 0.410 0.000 0.691 157 A CB 0.837 20.200 19.000 0.605 0.000 1.282 157 A HN 0.628 nan 8.150 nan 0.000 0.401 158 I N 1.683 122.356 120.570 0.172 0.000 2.264 158 I HA -0.206 3.965 4.170 0.001 0.000 0.248 158 I C 2.056 178.160 176.117 -0.021 0.000 1.111 158 I CA 2.469 63.799 61.300 0.050 0.000 1.382 158 I CB 0.201 38.219 38.000 0.031 0.000 1.060 158 I HN 0.751 nan 8.210 nan 0.000 0.418 159 S N 0.166 115.907 115.700 0.067 0.000 2.603 159 S HA 0.157 4.628 4.470 0.001 0.000 0.220 159 S C 1.147 175.684 174.600 -0.106 0.000 0.967 159 S CA -0.013 58.220 58.200 0.055 0.000 0.920 159 S CB -0.829 62.535 63.200 0.274 0.000 0.773 159 S HN 0.450 nan 8.310 nan 0.000 0.529 160 G N 0.532 109.075 108.800 -0.429 0.000 2.365 160 G HA2 0.158 4.119 3.960 0.001 0.000 0.249 160 G HA3 0.158 4.119 3.960 0.001 0.000 0.249 160 G C 0.400 174.675 174.900 -1.043 0.000 1.288 160 G CA -0.702 43.651 45.100 -1.246 0.000 0.887 160 G HN 0.488 nan 8.290 nan 0.000 0.524 161 W N 2.770 123.560 121.300 -0.850 0.000 2.350 161 W HA -0.140 4.521 4.660 0.001 0.000 0.289 161 W C 1.729 178.105 176.519 -0.237 0.000 1.215 161 W CA 1.173 58.243 57.345 -0.458 0.000 1.236 161 W CB 0.033 29.208 29.460 -0.475 0.000 1.130 161 W HN 0.912 nan 8.180 nan 0.000 0.541 162 W N 0.854 122.207 121.300 0.088 0.000 2.480 162 W HA -0.118 4.543 4.660 0.001 0.000 0.257 162 W C 1.072 177.552 176.519 -0.066 0.000 1.235 162 W CA 1.055 58.427 57.345 0.045 0.000 1.218 162 W CB -1.555 27.976 29.460 0.117 0.000 1.131 162 W HN -0.221 nan 8.180 nan 0.000 0.606 163 N N 0.403 118.888 118.700 -0.359 0.000 2.236 163 N HA -0.042 4.699 4.740 0.001 0.000 0.196 163 N C 1.672 177.006 175.510 -0.295 0.000 1.114 163 N CA 1.341 54.240 53.050 -0.251 0.000 0.859 163 N CB -0.258 38.061 38.487 -0.281 0.000 0.982 163 N HN 0.396 nan 8.380 nan 0.000 0.493 164 T N -2.640 111.631 114.554 -0.471 0.000 2.849 164 T HA -0.104 4.247 4.350 0.001 0.000 0.270 164 T C 1.789 176.305 174.700 -0.306 0.000 1.066 164 T CA 1.452 63.241 62.100 -0.517 0.000 1.130 164 T CB -0.413 67.912 68.868 -0.905 0.000 0.864 164 T HN 0.153 nan 8.240 nan 0.000 0.481 165 G N 0.689 109.354 108.800 -0.226 0.000 3.042 165 G HA2 0.523 4.483 3.960 0.001 0.000 0.212 165 G HA3 0.523 4.483 3.960 0.001 0.000 0.212 165 G C 0.516 175.362 174.900 -0.089 0.000 1.166 165 G CA -0.006 45.013 45.100 -0.135 0.000 0.767 165 G HN 0.850 nan 8.290 nan 0.000 0.546 166 A N 0.289 123.054 122.820 -0.090 0.000 2.477 166 A HA 0.607 4.928 4.320 0.001 0.000 0.246 166 A C 1.710 179.262 177.584 -0.052 0.000 1.078 166 A CA 0.508 52.511 52.037 -0.055 0.000 0.770 166 A CB 0.667 19.639 19.000 -0.047 0.000 1.011 166 A HN 0.643 nan 8.150 nan 0.000 0.494 167 A N 2.357 125.155 122.820 -0.037 0.000 1.897 167 A HA 0.274 4.595 4.320 0.001 0.000 0.215 167 A C 1.434 179.000 177.584 -0.030 0.000 1.181 167 A CA 1.990 54.008 52.037 -0.033 0.000 0.620 167 A CB -0.575 18.410 19.000 -0.025 0.000 0.821 167 A HN 1.534 nan 8.150 nan 0.000 0.443 168 T N -3.746 110.793 114.554 -0.025 0.000 2.864 168 T HA 0.577 4.928 4.350 0.001 0.000 0.289 168 T C -0.663 174.025 174.700 -0.020 0.000 1.082 168 T CA -0.967 61.120 62.100 -0.022 0.000 1.009 168 T CB 1.555 70.413 68.868 -0.017 0.000 1.234 168 T HN 0.097 nan 8.240 nan 0.000 0.526 169 E N -0.088 120.102 120.200 -0.017 0.000 2.351 169 E HA 0.502 4.853 4.350 0.001 0.000 0.255 169 E C 1.671 178.269 176.600 -0.003 0.000 1.188 169 E CA -0.038 56.356 56.400 -0.011 0.000 0.940 169 E CB 0.597 30.289 29.700 -0.012 0.000 1.094 169 E HN 0.842 nan 8.360 nan 0.000 0.474 170 A N 1.503 124.327 122.820 0.008 0.000 1.940 170 A HA -0.253 4.068 4.320 0.001 0.000 0.221 170 A C 1.309 178.894 177.584 0.000 0.000 1.190 170 A CA 2.489 54.532 52.037 0.010 0.000 0.647 170 A CB -0.638 18.375 19.000 0.021 0.000 0.821 170 A HN 0.620 nan 8.150 nan 0.000 0.457 171 D N -2.569 117.829 120.400 -0.004 0.000 2.340 171 D HA 0.297 4.938 4.640 0.001 0.000 0.220 171 D C 1.158 177.452 176.300 -0.010 0.000 1.039 171 D CA 1.019 55.014 54.000 -0.008 0.000 0.866 171 D CB -0.546 40.247 40.800 -0.011 0.000 0.913 171 D HN 0.940 nan 8.370 nan 0.000 0.523 172 G N 0.178 108.972 108.800 -0.010 0.000 2.175 172 G HA2 -0.289 3.672 3.960 0.001 0.000 0.244 172 G HA3 -0.289 3.672 3.960 0.001 0.000 0.244 172 G C 0.460 175.353 174.900 -0.013 0.000 0.982 172 G CA 0.394 45.487 45.100 -0.011 0.000 0.641 172 G HN 0.793 nan 8.290 nan 0.000 0.527 173 S N 0.470 116.162 115.700 -0.013 0.000 2.624 173 S HA 0.669 5.140 4.470 0.001 0.000 0.263 173 S C -2.155 172.435 174.600 -0.016 0.000 1.287 173 S CA -1.003 57.188 58.200 -0.015 0.000 0.990 173 S CB 1.636 64.827 63.200 -0.015 0.000 0.950 173 S HN 0.174 nan 8.310 nan 0.000 0.561 174 P HA 0.224 nan 4.420 nan 0.000 0.271 174 P C -0.574 176.713 177.300 -0.020 0.000 1.218 174 P CA -0.460 62.629 63.100 -0.018 0.000 0.780 174 P CB 0.269 31.960 31.700 -0.014 0.000 0.901 175 N N 2.471 121.155 118.700 -0.027 0.000 2.452 175 N HA 0.013 4.754 4.740 0.001 0.000 0.266 175 N C 0.415 175.912 175.510 -0.022 0.000 1.209 175 N CA 0.372 53.400 53.050 -0.036 0.000 0.929 175 N CB 0.103 38.557 38.487 -0.055 0.000 1.063 175 N HN 0.262 nan 8.380 nan 0.000 0.472 176 R N 2.393 122.890 120.500 -0.006 0.000 2.472 176 R HA 0.222 4.562 4.340 0.001 0.000 0.279 176 R C 1.012 177.361 176.300 0.082 0.000 0.953 176 R CA 0.102 56.222 56.100 0.034 0.000 1.088 176 R CB 0.110 30.432 30.300 0.036 0.000 1.197 176 R HN 0.830 nan 8.270 nan 0.000 0.536 177 G N 0.964 109.775 108.800 0.017 0.000 2.562 177 G HA2 -0.382 3.578 3.960 0.001 0.000 0.250 177 G HA3 -0.382 3.578 3.960 0.001 0.000 0.250 177 G C -0.207 174.758 174.900 0.110 0.000 1.269 177 G CA 0.041 45.131 45.100 -0.016 0.000 0.919 177 G HN 0.392 nan 8.290 nan 0.000 0.574 178 Y N -0.345 119.953 120.300 -0.005 0.000 3.825 178 Y HA -0.212 4.339 4.550 0.001 0.000 0.221 178 Y C 1.471 177.388 175.900 0.030 0.000 1.195 178 Y CA 1.592 59.703 58.100 0.018 0.000 1.699 178 Y CB -1.533 36.922 38.460 -0.008 0.000 1.531 178 Y HN 0.651 nan 8.280 nan 0.000 0.640 179 K N -0.120 120.355 120.400 0.124 0.000 2.107 179 K HA 0.540 4.861 4.320 0.001 0.000 0.251 179 K C 0.182 176.941 176.600 0.265 0.000 1.012 179 K CA -0.684 55.680 56.287 0.128 0.000 0.920 179 K CB 1.254 33.742 32.500 -0.019 0.000 1.033 179 K HN -0.090 nan 8.250 nan 0.000 0.478 180 V N 3.018 123.052 119.914 0.200 0.000 2.432 180 V HA 0.154 4.275 4.120 0.001 0.000 0.275 180 V C 0.427 176.552 176.094 0.052 0.000 1.043 180 V CA -0.485 61.884 62.300 0.115 0.000 0.925 180 V CB 0.845 32.721 31.823 0.088 0.000 0.985 180 V HN 0.630 nan 8.190 nan 0.000 0.466 181 R N 3.293 123.638 120.500 -0.259 0.000 2.643 181 R HA 0.173 4.514 4.340 0.001 0.000 0.270 181 R C 0.119 176.208 176.300 -0.351 0.000 1.061 181 R CA -0.522 55.127 56.100 -0.752 0.000 1.107 181 R CB 0.212 30.013 30.300 -0.832 0.000 0.999 181 R HN 0.665 nan 8.270 nan 0.000 0.460 182 H N 4.271 123.192 119.070 -0.248 0.000 3.070 182 H HA -0.064 4.493 4.556 0.001 0.000 0.313 182 H C 0.540 175.850 175.328 -0.029 0.000 0.997 182 H CA 0.687 56.729 56.048 -0.010 0.000 1.438 182 H CB 0.487 30.271 29.762 0.036 0.000 1.455 182 H HN 0.553 nan 8.280 nan 0.000 0.575 183 K N 1.201 121.715 120.400 0.189 0.000 3.407 183 K HA -0.155 4.166 4.320 0.001 0.000 0.312 183 K C 1.017 177.645 176.600 0.046 0.000 1.302 183 K CA 1.075 57.431 56.287 0.117 0.000 0.931 183 K CB -1.730 30.814 32.500 0.073 0.000 1.257 183 K HN 0.818 nan 8.250 nan 0.000 0.454 184 G N 0.066 108.875 108.800 0.015 0.000 3.575 184 G HA2 0.351 4.311 3.960 0.001 0.000 0.273 184 G HA3 0.351 4.311 3.960 0.001 0.000 0.273 184 G C 1.045 175.945 174.900 0.000 0.000 1.053 184 G CA 0.367 45.451 45.100 -0.026 0.000 0.803 184 G HN 0.296 nan 8.290 nan 0.000 0.528 185 G N -0.365 108.476 108.800 0.068 0.000 2.985 185 G HA2 0.106 4.066 3.960 0.001 0.000 0.209 185 G HA3 0.106 4.066 3.960 0.001 0.000 0.209 185 G C -0.001 174.982 174.900 0.139 0.000 1.165 185 G CA -0.163 44.953 45.100 0.026 0.000 0.776 185 G HN 0.388 nan 8.290 nan 0.000 0.541 186 Y N 1.709 122.012 120.300 0.005 0.000 2.478 186 Y HA 0.515 5.066 4.550 0.001 0.000 0.329 186 Y C -1.271 174.459 175.900 -0.285 0.000 0.967 186 Y CA -1.924 56.114 58.100 -0.103 0.000 1.255 186 Y CB 0.489 38.819 38.460 -0.216 0.000 1.103 186 Y HN 0.061 nan 8.280 nan 0.000 0.497 187 F N 5.131 125.085 119.950 0.006 0.000 3.050 187 F HA 0.533 5.061 4.527 0.001 0.000 0.382 187 F C -3.093 172.660 175.800 -0.079 0.000 1.246 187 F CA -3.792 54.141 58.000 -0.112 0.000 1.217 187 F CB -0.972 37.854 39.000 -0.290 0.000 1.795 187 F HN 0.228 nan 8.300 nan 0.000 0.622 188 P HA 0.269 nan 4.420 nan 0.000 0.269 188 P C 0.247 177.572 177.300 0.043 0.000 1.215 188 P CA -0.421 62.728 63.100 0.081 0.000 0.780 188 P CB 1.020 32.747 31.700 0.044 0.000 0.898 189 V N -0.717 119.215 119.914 0.029 0.000 3.237 189 V HA 0.418 4.538 4.120 0.001 0.000 0.305 189 V C 0.520 176.609 176.094 -0.007 0.000 1.096 189 V CA -0.961 61.339 62.300 -0.001 0.000 1.130 189 V CB -0.662 31.155 31.823 -0.010 0.000 1.048 189 V HN 0.736 nan 8.190 nan 0.000 0.484 190 A N 3.640 126.442 122.820 -0.031 0.000 2.507 190 A HA 0.414 4.735 4.320 0.001 0.000 0.235 190 A C -0.521 176.990 177.584 -0.121 0.000 1.070 190 A CA -0.185 51.812 52.037 -0.067 0.000 0.768 190 A CB -0.644 18.312 19.000 -0.072 0.000 1.011 190 A HN 0.967 nan 8.150 nan 0.000 0.502 191 P HA -0.036 nan 4.420 nan 0.000 0.241 191 P C 0.808 178.044 177.300 -0.107 0.000 1.191 191 P CA 0.357 63.296 63.100 -0.268 0.000 0.771 191 P CB 0.087 31.467 31.700 -0.534 0.000 0.929 192 N N 1.007 119.728 118.700 0.035 0.000 2.104 192 N HA -0.137 4.604 4.740 0.001 0.000 0.190 192 N C 0.368 175.896 175.510 0.031 0.000 1.024 192 N CA 1.082 54.214 53.050 0.136 0.000 0.853 192 N CB -0.865 37.715 38.487 0.156 0.000 1.008 192 N HN 0.026 nan 8.380 nan 0.000 0.424 193 D N 0.925 121.325 120.400 0.001 0.000 2.344 193 D HA 0.044 4.685 4.640 0.001 0.000 0.253 193 D C 0.106 176.418 176.300 0.020 0.000 1.255 193 D CA 0.178 54.209 54.000 0.051 0.000 0.894 193 D CB 0.320 41.162 40.800 0.070 0.000 1.067 193 D HN 0.299 nan 8.370 nan 0.000 0.492 194 Q N 2.864 122.629 119.800 -0.058 0.000 2.320 194 Q HA -0.007 4.333 4.340 0.001 0.000 0.201 194 Q C -0.062 175.616 176.000 -0.537 0.000 0.910 194 Q CA 0.230 55.814 55.803 -0.365 0.000 0.946 194 Q CB 0.464 28.879 28.738 -0.539 0.000 1.062 194 Q HN 0.627 nan 8.270 nan 0.000 0.503 195 Y N -1.477 118.877 120.300 0.090 0.000 2.682 195 Y HA 0.129 4.680 4.550 0.001 0.000 0.251 195 Y C 1.586 177.509 175.900 0.038 0.000 1.172 195 Y CA -0.343 57.791 58.100 0.057 0.000 1.186 195 Y CB 0.499 38.981 38.460 0.036 0.000 1.216 195 Y HN -0.138 nan 8.280 nan 0.000 0.540 196 V N 0.010 119.991 119.914 0.112 0.000 2.255 196 V HA -0.290 3.831 4.120 0.001 0.000 0.247 196 V C 1.744 177.870 176.094 0.054 0.000 1.051 196 V CA 2.345 64.688 62.300 0.070 0.000 1.018 196 V CB -0.172 31.666 31.823 0.026 0.000 0.641 196 V HN 0.352 nan 8.190 nan 0.000 0.445 197 D N -0.358 120.063 120.400 0.036 0.000 2.144 197 D HA -0.118 4.523 4.640 0.001 0.000 0.200 197 D C 1.900 178.230 176.300 0.049 0.000 0.978 197 D CA 0.995 55.013 54.000 0.029 0.000 0.833 197 D CB -0.239 40.568 40.800 0.011 0.000 0.961 197 D HN 0.335 nan 8.370 nan 0.000 0.470 198 L N 1.005 122.275 121.223 0.079 0.000 2.056 198 L HA -0.041 4.299 4.340 0.001 0.000 0.207 198 L C 2.046 178.970 176.870 0.089 0.000 1.078 198 L CA 1.576 56.473 54.840 0.095 0.000 0.749 198 L CB -0.285 41.862 42.059 0.147 0.000 0.901 198 L HN -0.155 nan 8.230 nan 0.000 0.433 199 R N -0.392 120.168 120.500 0.100 0.000 2.120 199 R HA -0.144 4.197 4.340 0.001 0.000 0.234 199 R C 1.812 178.149 176.300 0.060 0.000 1.123 199 R CA 1.314 57.464 56.100 0.083 0.000 0.975 199 R CB -0.436 29.908 30.300 0.073 0.000 0.866 199 R HN 0.438 nan 8.270 nan 0.000 0.446 200 D N 0.591 121.021 120.400 0.049 0.000 2.144 200 D HA -0.121 4.520 4.640 0.001 0.000 0.199 200 D C 1.636 177.955 176.300 0.031 0.000 0.984 200 D CA 1.263 55.284 54.000 0.034 0.000 0.834 200 D CB 0.046 40.861 40.800 0.025 0.000 0.955 200 D HN 0.161 nan 8.370 nan 0.000 0.465 201 K N -0.290 120.131 120.400 0.036 0.000 2.097 201 K HA -0.009 4.311 4.320 0.001 0.000 0.205 201 K C 2.224 178.842 176.600 0.029 0.000 1.050 201 K CA 0.738 57.046 56.287 0.034 0.000 0.938 201 K CB -0.016 32.511 32.500 0.045 0.000 0.718 201 K HN 0.133 nan 8.250 nan 0.000 0.442 202 M N 0.562 120.181 119.600 0.031 0.000 2.099 202 M HA -0.167 4.313 4.480 0.001 0.000 0.262 202 M C 2.098 178.395 176.300 -0.005 0.000 1.067 202 M CA 1.580 56.884 55.300 0.007 0.000 1.124 202 M CB -0.332 32.277 32.600 0.014 0.000 1.353 202 M HN 0.094 nan 8.290 nan 0.000 0.410 203 L N -0.634 120.603 121.223 0.023 0.000 2.042 203 L HA -0.235 4.106 4.340 0.001 0.000 0.210 203 L C 2.520 179.397 176.870 0.012 0.000 1.076 203 L CA 1.424 56.279 54.840 0.026 0.000 0.749 203 L CB -1.071 41.013 42.059 0.041 0.000 0.893 203 L HN 0.348 nan 8.230 nan 0.000 0.432 204 T N -0.677 113.882 114.554 0.009 0.000 2.674 204 T HA -0.139 4.211 4.350 0.001 0.000 0.265 204 T C 1.723 176.415 174.700 -0.013 0.000 1.039 204 T CA 1.443 63.545 62.100 0.003 0.000 1.150 204 T CB -0.272 68.597 68.868 0.002 0.000 0.864 204 T HN 0.277 nan 8.240 nan 0.000 0.427 205 N N 1.292 119.974 118.700 -0.031 0.000 2.104 205 N HA -0.015 4.726 4.740 0.001 0.000 0.190 205 N C 1.869 177.346 175.510 -0.054 0.000 1.024 205 N CA 0.915 53.922 53.050 -0.071 0.000 0.853 205 N CB -0.633 37.802 38.487 -0.086 0.000 1.008 205 N HN 0.335 nan 8.380 nan 0.000 0.424 206 L N 0.458 121.638 121.223 -0.072 0.000 2.017 206 L HA -0.106 4.235 4.340 0.001 0.000 0.208 206 L C 2.194 179.125 176.870 0.102 0.000 1.073 206 L CA 0.841 55.611 54.840 -0.117 0.000 0.745 206 L CB -0.374 41.498 42.059 -0.312 0.000 0.894 206 L HN 0.105 nan 8.230 nan 0.000 0.432 207 I N 0.199 120.809 120.570 0.067 0.000 2.208 207 I HA -0.328 3.842 4.170 0.001 0.000 0.245 207 I C 1.939 178.098 176.117 0.069 0.000 1.097 207 I CA 1.275 62.626 61.300 0.085 0.000 1.363 207 I CB -0.325 37.704 38.000 0.049 0.000 1.051 207 I HN 0.365 nan 8.210 nan 0.000 0.413 208 N N 0.056 118.778 118.700 0.036 0.000 2.512 208 N HA -0.054 4.687 4.740 0.001 0.000 0.183 208 N C 1.298 176.822 175.510 0.023 0.000 1.073 208 N CA 0.714 53.771 53.050 0.013 0.000 0.911 208 N CB -0.028 38.446 38.487 -0.021 0.000 0.964 208 N HN 0.201 nan 8.380 nan 0.000 0.447 209 S N -0.819 114.932 115.700 0.085 0.000 2.597 209 S HA 0.317 4.788 4.470 0.001 0.000 0.224 209 S C 1.292 175.934 174.600 0.070 0.000 0.955 209 S CA 0.198 58.462 58.200 0.106 0.000 0.933 209 S CB 0.474 63.802 63.200 0.213 0.000 0.788 209 S HN 0.504 nan 8.310 nan 0.000 0.488 210 G N 1.180 110.010 108.800 0.050 0.000 2.157 210 G HA2 -0.252 3.709 3.960 0.001 0.000 0.248 210 G HA3 -0.252 3.709 3.960 0.001 0.000 0.248 210 G C -0.055 174.789 174.900 -0.092 0.000 0.979 210 G CA -0.552 44.518 45.100 -0.050 0.000 0.650 210 G HN 0.443 nan 8.290 nan 0.000 0.529 211 F N 0.264 120.176 119.950 -0.062 0.000 2.484 211 F HA 0.575 5.103 4.527 0.001 0.000 0.360 211 F C 1.064 176.855 175.800 -0.015 0.000 1.101 211 F CA -0.466 57.498 58.000 -0.061 0.000 1.251 211 F CB 0.719 39.670 39.000 -0.082 0.000 1.132 211 F HN -0.054 nan 8.300 nan 0.000 0.570 212 I N 5.011 125.677 120.570 0.159 0.000 2.297 212 I HA 0.118 4.289 4.170 0.001 0.000 0.291 212 I C -0.474 175.748 176.117 0.175 0.000 1.033 212 I CA 0.015 61.379 61.300 0.107 0.000 1.253 212 I CB 0.189 38.193 38.000 0.006 0.000 1.396 212 I HN 0.224 nan 8.210 nan 0.000 0.476 213 L N 6.910 128.223 121.223 0.151 0.000 2.375 213 L HA 0.354 4.694 4.340 0.001 0.000 0.271 213 L C 1.092 178.026 176.870 0.108 0.000 1.107 213 L CA 0.331 55.266 54.840 0.159 0.000 0.806 213 L CB 1.283 43.419 42.059 0.128 0.000 1.146 213 L HN 0.700 nan 8.230 nan 0.000 0.447 214 E N 1.589 121.855 120.200 0.110 0.000 2.280 214 E HA 0.099 4.450 4.350 0.001 0.000 0.197 214 E C -0.372 176.273 176.600 0.075 0.000 0.913 214 E CA 0.164 56.609 56.400 0.076 0.000 0.995 214 E CB 0.898 30.636 29.700 0.063 0.000 0.991 214 E HN 0.591 nan 8.360 nan 0.000 0.484 215 K N -0.740 119.718 120.400 0.097 0.000 2.578 215 K HA 0.669 4.989 4.320 0.001 0.000 0.287 215 K C -0.956 175.720 176.600 0.128 0.000 1.010 215 K CA -1.123 55.227 56.287 0.104 0.000 0.889 215 K CB 1.915 34.482 32.500 0.112 0.000 1.514 215 K HN 0.079 nan 8.250 nan 0.000 0.424 216 G N 0.837 109.705 108.800 0.114 0.000 2.731 216 G HA2 0.667 4.628 3.960 0.001 0.000 0.298 216 G HA3 0.667 4.628 3.960 0.001 0.000 0.298 216 G C -1.840 173.111 174.900 0.085 0.000 1.424 216 G CA -0.580 44.562 45.100 0.071 0.000 1.029 216 G HN 0.977 nan 8.290 nan 0.000 0.518 217 H N -0.864 118.196 119.070 -0.015 0.000 3.014 217 H HA 0.546 5.103 4.556 0.001 0.000 0.337 217 H C -1.176 174.149 175.328 -0.005 0.000 1.320 217 H CA -1.061 54.968 56.048 -0.032 0.000 1.128 217 H CB 1.117 30.849 29.762 -0.051 0.000 1.862 217 H HN 0.475 nan 8.280 nan 0.000 0.536 218 H N 1.493 120.620 119.070 0.095 0.000 2.803 218 H HA 0.133 4.690 4.556 0.001 0.000 0.330 218 H C -0.165 175.269 175.328 0.178 0.000 1.057 218 H CA 0.379 56.456 56.048 0.050 0.000 1.458 218 H CB 0.851 30.681 29.762 0.115 0.000 1.470 218 H HN 0.654 nan 8.280 nan 0.000 0.560 219 E N 2.728 122.994 120.200 0.109 0.000 2.561 219 E HA 0.051 4.401 4.350 0.001 0.000 0.254 219 E C 1.471 178.274 176.600 0.339 0.000 1.213 219 E CA -0.629 55.924 56.400 0.255 0.000 0.995 219 E CB 1.386 31.055 29.700 -0.052 0.000 1.233 219 E HN 0.417 nan 8.360 nan 0.000 0.556 220 V N 0.485 120.562 119.914 0.270 0.000 2.392 220 V HA -0.165 3.956 4.120 0.001 0.000 0.249 220 V C 1.320 177.541 176.094 0.211 0.000 1.059 220 V CA 1.895 64.322 62.300 0.212 0.000 1.051 220 V CB -0.719 31.171 31.823 0.111 0.000 0.658 220 V HN 0.638 nan 8.190 nan 0.000 0.455 221 G N -0.088 108.822 108.800 0.183 0.000 2.441 221 G HA2 0.273 4.233 3.960 0.001 0.000 0.243 221 G HA3 0.273 4.233 3.960 0.001 0.000 0.243 221 G C 0.134 175.269 174.900 0.391 0.000 1.281 221 G CA 0.387 45.678 45.100 0.319 0.000 0.854 221 G HN 0.348 nan 8.290 nan 0.000 0.560 222 S N 0.364 116.326 115.700 0.437 0.000 2.593 222 S HA 0.463 4.934 4.470 0.001 0.000 0.269 222 S C 1.517 176.430 174.600 0.522 0.000 1.334 222 S CA 0.972 59.388 58.200 0.361 0.000 1.015 222 S CB 0.435 63.722 63.200 0.147 0.000 0.912 222 S HN 2.272 nan 8.310 nan 0.000 0.541 223 G N 1.396 110.418 108.800 0.371 0.000 2.137 223 G HA2 0.085 4.046 3.960 0.001 0.000 0.237 223 G HA3 0.085 4.046 3.960 0.001 0.000 0.237 223 G C 1.047 176.229 174.900 0.470 0.000 1.002 223 G CA 0.418 45.812 45.100 0.490 0.000 0.702 223 G HN 2.174 nan 8.290 nan 0.000 0.515 224 G N -1.317 107.613 108.800 0.218 0.000 2.167 224 G HA2 -0.103 3.857 3.960 0.001 0.000 0.194 224 G HA3 -0.103 3.857 3.960 0.001 0.000 0.194 224 G C 0.092 174.524 174.900 -0.779 0.000 1.027 224 G CA 0.915 45.722 45.100 -0.488 0.000 0.717 224 G HN 1.221 nan 8.290 nan 0.000 0.501 225 Q N -0.222 119.129 119.800 -0.749 0.000 2.392 225 Q HA 0.589 4.929 4.340 0.001 0.000 0.262 225 Q C 0.357 175.719 176.000 -1.063 0.000 1.003 225 Q CA 0.814 55.936 55.803 -1.134 0.000 0.888 225 Q CB 0.793 28.877 28.738 -1.089 0.000 1.260 225 Q HN 1.283 nan 8.270 nan 0.000 0.435 226 A N 3.221 125.346 122.820 -1.158 0.000 2.594 226 A HA 0.634 4.955 4.320 0.001 0.000 0.291 226 A C -1.634 175.312 177.584 -1.063 0.000 1.105 226 A CA -0.605 50.770 52.037 -1.104 0.000 0.694 226 A CB 2.110 20.376 19.000 -1.223 0.000 1.291 226 A HN 0.758 nan 8.150 nan 0.000 0.410 227 E N 0.442 120.207 120.200 -0.725 0.000 2.321 227 E HA 0.627 4.978 4.350 0.001 0.000 0.281 227 E C -2.049 174.423 176.600 -0.214 0.000 0.910 227 E CA -0.412 55.734 56.400 -0.424 0.000 0.770 227 E CB 1.629 31.045 29.700 -0.474 0.000 1.225 227 E HN 0.568 nan 8.360 nan 0.000 0.417 228 I N 3.523 124.189 120.570 0.160 0.000 2.447 228 I HA 0.331 4.502 4.170 0.001 0.000 0.287 228 I C -0.954 175.280 176.117 0.194 0.000 1.023 228 I CA -0.692 60.744 61.300 0.225 0.000 1.083 228 I CB 1.943 40.173 38.000 0.384 0.000 1.245 228 I HN 0.437 nan 8.210 nan 0.000 0.434 229 N N 5.965 124.737 118.700 0.121 0.000 2.400 229 N HA 0.592 5.333 4.740 0.001 0.000 0.288 229 N C -1.391 174.179 175.510 0.100 0.000 1.024 229 N CA -0.615 52.442 53.050 0.011 0.000 0.894 229 N CB 1.409 39.906 38.487 0.017 0.000 1.173 229 N HN 0.444 nan 8.380 nan 0.000 0.487 230 Y N -1.203 119.125 120.300 0.047 0.000 2.602 230 Y HA 0.429 4.979 4.550 0.001 0.000 0.342 230 Y C -0.101 175.845 175.900 0.076 0.000 1.029 230 Y CA -1.496 56.664 58.100 0.101 0.000 1.080 230 Y CB 0.746 39.350 38.460 0.240 0.000 1.284 230 Y HN 0.373 nan 8.280 nan 0.000 0.485 231 Q N 2.451 122.373 119.800 0.204 0.000 2.300 231 Q HA 0.190 4.531 4.340 0.001 0.000 0.280 231 Q C -0.452 175.549 176.000 0.001 0.000 1.033 231 Q CA -0.475 55.324 55.803 -0.007 0.000 0.903 231 Q CB 0.272 28.917 28.738 -0.156 0.000 1.195 231 Q HN 0.632 nan 8.270 nan 0.000 0.386 232 F N 2.313 122.250 119.950 -0.022 0.000 2.633 232 F HA 0.259 4.787 4.527 0.001 0.000 0.338 232 F C -0.016 175.820 175.800 0.061 0.000 1.206 232 F CA -0.448 57.558 58.000 0.010 0.000 1.378 232 F CB 0.332 39.300 39.000 -0.053 0.000 1.116 232 F HN 0.503 nan 8.300 nan 0.000 0.615 233 N N -0.935 117.993 118.700 0.380 0.000 2.825 233 N HA 0.264 5.004 4.740 0.001 0.000 0.253 233 N C -1.581 174.289 175.510 0.601 0.000 1.426 233 N CA -0.253 53.031 53.050 0.391 0.000 0.851 233 N CB 2.104 40.743 38.487 0.252 0.000 1.470 233 N HN 0.882 nan 8.380 nan 0.000 0.517 234 S N 0.245 116.238 115.700 0.488 0.000 2.573 234 S HA 0.124 4.595 4.470 0.001 0.000 0.277 234 S C 1.889 176.616 174.600 0.211 0.000 1.346 234 S CA -0.468 57.856 58.200 0.206 0.000 1.034 234 S CB 0.535 63.737 63.200 0.004 0.000 0.879 234 S HN 0.617 nan 8.310 nan 0.000 0.528 235 L N 1.202 122.541 121.223 0.194 0.000 1.997 235 L HA -0.229 4.111 4.340 0.001 0.000 0.227 235 L C 2.463 179.402 176.870 0.115 0.000 1.087 235 L CA 2.253 57.170 54.840 0.128 0.000 0.797 235 L CB -0.507 41.611 42.059 0.097 0.000 0.902 235 L HN 0.832 nan 8.230 nan 0.000 0.441 236 L N -1.036 120.220 121.223 0.055 0.000 2.017 236 L HA -0.243 4.098 4.340 0.001 0.000 0.208 236 L C 2.541 179.504 176.870 0.156 0.000 1.073 236 L CA 1.793 56.688 54.840 0.091 0.000 0.745 236 L CB -0.909 41.168 42.059 0.030 0.000 0.894 236 L HN 0.345 nan 8.230 nan 0.000 0.432 237 H N -0.046 119.106 119.070 0.137 0.000 2.352 237 H HA -0.020 4.537 4.556 0.001 0.000 0.299 237 H C 2.221 177.618 175.328 0.116 0.000 1.097 237 H CA 1.310 57.418 56.048 0.099 0.000 1.311 237 H CB -0.779 29.033 29.762 0.082 0.000 1.377 237 H HN 0.516 nan 8.280 nan 0.000 0.504 238 A N 0.941 123.953 122.820 0.320 0.000 1.933 238 A HA -0.085 4.236 4.320 0.001 0.000 0.218 238 A C 2.671 180.474 177.584 0.365 0.000 1.175 238 A CA 1.863 54.118 52.037 0.364 0.000 0.628 238 A CB -0.785 18.444 19.000 0.382 0.000 0.814 238 A HN 0.449 nan 8.150 nan 0.000 0.444 239 A N -0.292 122.649 122.820 0.201 0.000 1.929 239 A HA -0.116 4.205 4.320 0.001 0.000 0.216 239 A C 1.777 179.138 177.584 -0.371 0.000 1.176 239 A CA 1.609 53.472 52.037 -0.289 0.000 0.628 239 A CB -0.447 18.138 19.000 -0.691 0.000 0.816 239 A HN 0.449 nan 8.150 nan 0.000 0.444 240 D N 0.282 120.655 120.400 -0.046 0.000 2.144 240 D HA -0.126 4.515 4.640 0.001 0.000 0.199 240 D C 1.180 177.495 176.300 0.025 0.000 0.984 240 D CA 1.309 55.346 54.000 0.061 0.000 0.834 240 D CB -0.316 40.559 40.800 0.127 0.000 0.955 240 D HN 0.337 nan 8.370 nan 0.000 0.465 241 D N 0.124 120.546 120.400 0.038 0.000 2.117 241 D HA -0.136 4.505 4.640 0.001 0.000 0.197 241 D C 1.970 178.396 176.300 0.209 0.000 0.987 241 D CA 0.594 54.604 54.000 0.017 0.000 0.829 241 D CB -0.224 40.585 40.800 0.014 0.000 0.961 241 D HN 0.115 nan 8.370 nan 0.000 0.460 242 M N 0.691 120.416 119.600 0.210 0.000 2.117 242 M HA -0.150 4.331 4.480 0.001 0.000 0.262 242 M C 1.724 178.099 176.300 0.125 0.000 1.065 242 M CA 1.485 56.922 55.300 0.228 0.000 1.114 242 M CB -0.309 32.366 32.600 0.125 0.000 1.361 242 M HN -0.171 nan 8.290 nan 0.000 0.408 243 Q N -0.251 119.551 119.800 0.005 0.000 2.084 243 Q HA -0.126 4.215 4.340 0.001 0.000 0.202 243 Q C 2.204 178.238 176.000 0.057 0.000 0.978 243 Q CA 1.524 57.319 55.803 -0.014 0.000 0.844 243 Q CB -1.029 27.700 28.738 -0.014 0.000 0.898 243 Q HN 0.537 nan 8.270 nan 0.000 0.426 244 L N -0.040 121.262 121.223 0.131 0.000 2.056 244 L HA -0.159 4.182 4.340 0.001 0.000 0.207 244 L C 2.285 179.315 176.870 0.268 0.000 1.078 244 L CA 1.631 56.598 54.840 0.212 0.000 0.749 244 L CB -0.982 41.220 42.059 0.239 0.000 0.901 244 L HN 0.176 nan 8.230 nan 0.000 0.433 245 Y N 0.643 121.023 120.300 0.132 0.000 2.128 245 Y HA -0.315 4.235 4.550 0.001 0.000 0.284 245 Y C 2.425 178.269 175.900 -0.092 0.000 1.154 245 Y CA 2.361 60.396 58.100 -0.108 0.000 1.149 245 Y CB -0.219 38.187 38.460 -0.091 0.000 0.976 245 Y HN 0.189 nan 8.280 nan 0.000 0.505 246 K N -1.045 119.269 120.400 -0.144 0.000 2.063 246 K HA -0.261 4.060 4.320 0.001 0.000 0.208 246 K C 2.031 178.495 176.600 -0.228 0.000 1.048 246 K CA 1.866 57.903 56.287 -0.418 0.000 0.928 246 K CB -0.688 31.479 32.500 -0.555 0.000 0.713 246 K HN 0.478 nan 8.250 nan 0.000 0.442 247 Y N 1.568 121.748 120.300 -0.200 0.000 2.181 247 Y HA -0.192 4.359 4.550 0.001 0.000 0.288 247 Y C 1.827 177.668 175.900 -0.099 0.000 1.146 247 Y CA 1.336 59.348 58.100 -0.147 0.000 1.164 247 Y CB -0.102 38.307 38.460 -0.085 0.000 0.982 247 Y HN -0.053 nan 8.280 nan 0.000 0.515 248 I N -0.556 119.984 120.570 -0.050 0.000 2.202 248 I HA -0.294 3.877 4.170 0.001 0.000 0.242 248 I C 2.079 178.095 176.117 -0.169 0.000 1.091 248 I CA 0.693 62.001 61.300 0.013 0.000 1.368 248 I CB -0.374 37.635 38.000 0.015 0.000 1.058 248 I HN 0.213 nan 8.210 nan 0.000 0.410 249 I N 1.164 121.506 120.570 -0.381 0.000 2.118 249 I HA -0.320 3.851 4.170 0.001 0.000 0.241 249 I C 2.431 178.326 176.117 -0.370 0.000 1.070 249 I CA 1.856 62.861 61.300 -0.492 0.000 1.327 249 I CB -1.291 36.178 38.000 -0.885 0.000 1.034 249 I HN 0.254 nan 8.210 nan 0.000 0.405 250 K N 0.351 120.560 120.400 -0.319 0.000 2.097 250 K HA -0.110 4.211 4.320 0.001 0.000 0.205 250 K C 1.807 178.229 176.600 -0.296 0.000 1.050 250 K CA 1.140 57.287 56.287 -0.233 0.000 0.938 250 K CB -0.098 32.291 32.500 -0.185 0.000 0.718 250 K HN 0.382 nan 8.250 nan 0.000 0.442 251 N N -0.067 118.274 118.700 -0.597 0.000 2.376 251 N HA -0.041 4.700 4.740 0.001 0.000 0.177 251 N C 1.458 176.523 175.510 -0.742 0.000 1.024 251 N CA 0.985 53.484 53.050 -0.920 0.000 0.893 251 N CB 0.175 37.563 38.487 -1.831 0.000 0.980 251 N HN 0.143 nan 8.380 nan 0.000 0.439 252 T N 1.169 115.495 114.554 -0.382 0.000 2.777 252 T HA -0.029 4.322 4.350 0.001 0.000 0.266 252 T C 2.104 176.791 174.700 -0.022 0.000 1.040 252 T CA 1.191 63.285 62.100 -0.011 0.000 1.141 252 T CB -0.142 68.776 68.868 0.083 0.000 0.868 252 T HN 0.263 nan 8.240 nan 0.000 0.444 253 A N 1.268 124.059 122.820 -0.049 0.000 1.877 253 A HA -0.095 4.226 4.320 0.001 0.000 0.216 253 A C 2.165 179.772 177.584 0.039 0.000 1.186 253 A CA 1.114 53.157 52.037 0.009 0.000 0.620 253 A CB -1.070 17.934 19.000 0.008 0.000 0.822 253 A HN 0.687 nan 8.150 nan 0.000 0.443 254 W N 0.818 122.023 121.300 -0.158 0.000 2.335 254 W HA -0.197 4.464 4.660 0.001 0.000 0.311 254 W C 2.067 178.523 176.519 -0.106 0.000 1.213 254 W CA 2.065 59.328 57.345 -0.136 0.000 1.274 254 W CB -0.387 28.952 29.460 -0.201 0.000 1.148 254 W HN 0.504 nan 8.180 nan 0.000 0.498 255 Q N -0.609 119.245 119.800 0.091 0.000 2.364 255 Q HA -0.136 4.204 4.340 0.001 0.000 0.209 255 Q C 0.878 176.881 176.000 0.005 0.000 0.977 255 Q CA 0.834 56.668 55.803 0.053 0.000 0.885 255 Q CB -0.270 28.517 28.738 0.082 0.000 0.941 255 Q HN 0.307 nan 8.270 nan 0.000 0.464 256 N N -0.830 117.863 118.700 -0.011 0.000 2.275 256 N HA 0.101 4.841 4.740 0.001 0.000 0.236 256 N C 0.324 175.808 175.510 -0.044 0.000 1.154 256 N CA 0.630 53.674 53.050 -0.011 0.000 0.866 256 N CB 1.572 40.073 38.487 0.024 0.000 1.093 256 N HN 0.301 nan 8.380 nan 0.000 0.515 257 G N 0.839 109.565 108.800 -0.124 0.000 2.143 257 G HA2 -0.240 3.721 3.960 0.001 0.000 0.249 257 G HA3 -0.240 3.721 3.960 0.001 0.000 0.249 257 G C 0.225 175.033 174.900 -0.153 0.000 0.981 257 G CA 0.296 45.297 45.100 -0.165 0.000 0.665 257 G HN 0.167 nan 8.290 nan 0.000 0.528 258 K N -0.562 119.766 120.400 -0.120 0.000 2.316 258 K HA 0.846 5.167 4.320 0.001 0.000 0.234 258 K C -0.468 176.117 176.600 -0.024 0.000 1.054 258 K CA -0.215 56.059 56.287 -0.023 0.000 0.879 258 K CB 1.542 34.083 32.500 0.068 0.000 1.252 258 K HN 0.238 nan 8.250 nan 0.000 0.471 259 T N -0.099 114.516 114.554 0.102 0.000 2.991 259 T HA 0.407 4.757 4.350 0.001 0.000 0.303 259 T C -1.447 173.372 174.700 0.197 0.000 1.015 259 T CA -0.537 61.689 62.100 0.210 0.000 1.007 259 T CB 0.880 69.896 68.868 0.246 0.000 1.034 259 T HN 0.123 nan 8.240 nan 0.000 0.446 260 V N 4.217 124.221 119.914 0.151 0.000 2.547 260 V HA 0.761 4.882 4.120 0.001 0.000 0.299 260 V C 0.479 176.625 176.094 0.087 0.000 1.040 260 V CA -0.470 61.855 62.300 0.042 0.000 0.913 260 V CB 1.944 33.714 31.823 -0.087 0.000 0.992 260 V HN 0.983 nan 8.190 nan 0.000 0.449 261 T N 3.639 118.209 114.554 0.025 0.000 2.861 261 T HA 0.533 4.884 4.350 0.001 0.000 0.287 261 T C -0.154 174.560 174.700 0.025 0.000 1.003 261 T CA -0.240 61.927 62.100 0.111 0.000 0.977 261 T CB 0.730 69.716 68.868 0.195 0.000 0.996 261 T HN 0.393 nan 8.240 nan 0.000 0.448 262 F N 3.513 123.528 119.950 0.109 0.000 2.664 262 F HA 0.340 4.868 4.527 0.001 0.000 0.303 262 F C 1.340 177.209 175.800 0.115 0.000 1.092 262 F CA -0.644 57.435 58.000 0.132 0.000 1.305 262 F CB 0.198 39.257 39.000 0.099 0.000 1.054 262 F HN 0.523 nan 8.300 nan 0.000 0.565 263 M N 0.185 119.916 119.600 0.219 0.000 2.249 263 M HA 0.166 4.647 4.480 0.001 0.000 0.340 263 M C -2.000 174.374 176.300 0.124 0.000 1.166 263 M CA -1.201 54.181 55.300 0.136 0.000 1.115 263 M CB 0.242 32.881 32.600 0.064 0.000 1.606 263 M HN -0.223 nan 8.290 nan 0.000 0.448 264 P HA -0.093 nan 4.420 nan 0.000 0.216 264 P C -0.200 177.136 177.300 0.060 0.000 1.150 264 P CA 1.678 64.819 63.100 0.070 0.000 0.837 264 P CB 0.139 31.851 31.700 0.019 0.000 0.786 265 K N -1.414 119.000 120.400 0.024 0.000 3.050 265 K HA 0.203 4.524 4.320 0.001 0.000 0.185 265 K C -2.257 174.317 176.600 -0.044 0.000 1.147 265 K CA -1.387 54.897 56.287 -0.004 0.000 0.916 265 K CB 0.365 32.849 32.500 -0.027 0.000 1.119 265 K HN -0.121 nan 8.250 nan 0.000 0.605 266 P HA -0.030 nan 4.420 nan 0.000 0.224 266 P C -0.238 177.014 177.300 -0.080 0.000 1.157 266 P CA 0.471 63.524 63.100 -0.077 0.000 0.799 266 P CB 0.560 32.279 31.700 0.031 0.000 0.809 267 L N -0.215 120.959 121.223 -0.081 0.000 2.322 267 L HA 0.413 4.754 4.340 0.001 0.000 0.281 267 L C -0.128 176.761 176.870 0.031 0.000 1.014 267 L CA -1.310 53.517 54.840 -0.022 0.000 0.815 267 L CB 1.350 43.416 42.059 0.012 0.000 1.247 267 L HN -0.167 nan 8.230 nan 0.000 0.421 268 F N 2.438 122.332 119.950 -0.092 0.000 2.424 268 F HA 0.543 5.071 4.527 0.001 0.000 0.356 268 F C 1.008 176.729 175.800 -0.131 0.000 1.110 268 F CA -0.192 57.741 58.000 -0.112 0.000 1.161 268 F CB 0.987 39.947 39.000 -0.065 0.000 1.115 268 F HN 0.697 nan 8.300 nan 0.000 0.507 269 G N 3.516 111.910 108.800 -0.678 0.000 2.143 269 G HA2 -0.224 3.737 3.960 0.001 0.000 0.248 269 G HA3 -0.224 3.737 3.960 0.001 0.000 0.248 269 G C -0.431 174.353 174.900 -0.195 0.000 0.991 269 G CA 0.245 45.026 45.100 -0.532 0.000 0.689 269 G HN 0.799 nan 8.290 nan 0.000 0.522 270 D N -0.808 119.485 120.400 -0.180 0.000 2.592 270 D HA 0.438 5.078 4.640 0.001 0.000 0.263 270 D C 0.056 176.332 176.300 -0.040 0.000 1.132 270 D CA -0.794 53.261 54.000 0.092 0.000 0.996 270 D CB 0.812 41.796 40.800 0.307 0.000 1.442 270 D HN -0.042 nan 8.370 nan 0.000 0.486 271 N N -0.485 118.341 118.700 0.210 0.000 2.407 271 N HA 0.329 5.070 4.740 0.001 0.000 0.250 271 N C 0.322 175.923 175.510 0.152 0.000 1.236 271 N CA 0.389 53.547 53.050 0.181 0.000 0.879 271 N CB 0.634 39.254 38.487 0.222 0.000 1.088 271 N HN 0.365 nan 8.380 nan 0.000 0.450 272 G N -0.198 108.647 108.800 0.074 0.000 2.588 272 G HA2 0.324 4.285 3.960 0.001 0.000 0.281 272 G HA3 0.324 4.285 3.960 0.001 0.000 0.281 272 G C -0.651 174.338 174.900 0.147 0.000 1.236 272 G CA -0.472 44.695 45.100 0.112 0.000 0.969 272 G HN 0.443 nan 8.290 nan 0.000 0.504 273 S N -0.620 115.166 115.700 0.144 0.000 2.438 273 S HA 0.610 5.081 4.470 0.001 0.000 0.316 273 S C 0.588 175.236 174.600 0.079 0.000 1.084 273 S CA -0.354 57.900 58.200 0.090 0.000 1.107 273 S CB 1.169 64.439 63.200 0.116 0.000 0.981 273 S HN 0.916 nan 8.310 nan 0.000 0.466 274 G N 1.583 110.398 108.800 0.026 0.000 2.511 274 G HA2 0.639 4.599 3.960 0.001 0.000 0.316 274 G HA3 0.639 4.599 3.960 0.001 0.000 0.316 274 G C -0.600 174.280 174.900 -0.033 0.000 1.210 274 G CA -0.675 44.428 45.100 0.005 0.000 0.969 274 G HN 0.622 nan 8.290 nan 0.000 0.492 275 M N 1.600 121.211 119.600 0.019 0.000 2.353 275 M HA 0.262 4.742 4.480 0.001 0.000 0.218 275 M C -0.764 175.628 176.300 0.153 0.000 1.044 275 M CA -0.485 54.866 55.300 0.085 0.000 0.615 275 M CB -0.086 32.631 32.600 0.194 0.000 1.531 275 M HN 0.722 nan 8.290 nan 0.000 0.378 276 H N 0.219 119.379 119.070 0.150 0.000 3.001 276 H HA 0.092 4.649 4.556 0.001 0.000 0.334 276 H C -0.424 175.031 175.328 0.212 0.000 1.034 276 H CA -0.256 55.878 56.048 0.143 0.000 1.420 276 H CB 0.544 30.395 29.762 0.149 0.000 1.405 276 H HN 0.497 nan 8.280 nan 0.000 0.593 277 C N 4.606 124.111 119.300 0.341 0.000 2.335 277 C HA 0.150 4.611 4.460 0.001 0.000 0.318 277 C C 0.219 175.320 174.990 0.186 0.000 1.150 277 C CA -0.807 58.385 59.018 0.291 0.000 1.466 277 C CB -0.760 27.191 27.740 0.351 0.000 2.024 277 C HN 0.835 nan 8.230 nan 0.000 0.429 278 H N 2.579 121.672 119.070 0.039 0.000 2.848 278 H HA 0.207 4.763 4.556 0.001 0.000 0.317 278 H C -0.152 175.049 175.328 -0.211 0.000 1.046 278 H CA 0.610 56.626 56.048 -0.054 0.000 1.470 278 H CB 0.918 30.648 29.762 -0.053 0.000 1.483 278 H HN 0.649 nan 8.280 nan 0.000 0.548 279 Q N 1.654 121.328 119.800 -0.211 0.000 2.372 279 Q HA 0.420 4.761 4.340 0.001 0.000 0.273 279 Q C -1.077 174.696 176.000 -0.377 0.000 1.078 279 Q CA -0.904 54.621 55.803 -0.463 0.000 0.806 279 Q CB 2.714 31.084 28.738 -0.614 0.000 1.332 279 Q HN 0.759 nan 8.270 nan 0.000 0.435 280 S N 1.191 116.708 115.700 -0.305 0.000 2.537 280 S HA 0.655 5.125 4.470 0.001 0.000 0.270 280 S C -1.261 173.380 174.600 0.068 0.000 1.142 280 S CA -0.857 57.278 58.200 -0.109 0.000 0.870 280 S CB 0.874 64.145 63.200 0.119 0.000 1.112 280 S HN 0.494 nan 8.310 nan 0.000 0.466 281 L N 1.749 123.000 121.223 0.046 0.000 2.317 281 L HA 0.697 5.038 4.340 0.001 0.000 0.281 281 L C -1.246 175.775 176.870 0.252 0.000 1.024 281 L CA -0.475 54.451 54.840 0.144 0.000 0.810 281 L CB 1.145 43.226 42.059 0.036 0.000 1.240 281 L HN 0.723 nan 8.230 nan 0.000 0.427 282 W N 2.216 123.516 121.300 -0.001 0.000 2.936 282 W HA 0.612 5.272 4.660 0.001 0.000 0.338 282 W C -0.433 176.100 176.519 0.024 0.000 1.121 282 W CA -0.757 56.619 57.345 0.051 0.000 1.209 282 W CB 1.765 31.324 29.460 0.165 0.000 1.420 282 W HN 0.206 nan 8.180 nan 0.000 0.516 283 K N 2.049 122.580 120.400 0.217 0.000 2.507 283 K HA 0.243 4.564 4.320 0.001 0.000 0.251 283 K C -0.641 176.042 176.600 0.138 0.000 0.943 283 K CA -0.371 55.999 56.287 0.139 0.000 0.794 283 K CB 1.180 33.721 32.500 0.068 0.000 1.188 283 K HN 0.566 nan 8.250 nan 0.000 0.428 284 D N 3.101 123.579 120.400 0.129 0.000 2.772 284 D HA -0.189 4.452 4.640 0.001 0.000 0.233 284 D C 0.554 176.949 176.300 0.158 0.000 1.143 284 D CA 1.790 55.859 54.000 0.115 0.000 0.700 284 D CB -1.166 39.680 40.800 0.075 0.000 1.076 284 D HN 1.102 nan 8.370 nan 0.000 0.430 285 G N -1.479 107.470 108.800 0.249 0.000 2.148 285 G HA2 -0.044 3.917 3.960 0.001 0.000 0.254 285 G HA3 -0.044 3.917 3.960 0.001 0.000 0.254 285 G C 0.293 175.462 174.900 0.449 0.000 0.981 285 G CA 0.669 45.974 45.100 0.341 0.000 0.670 285 G HN 1.273 nan 8.290 nan 0.000 0.528 286 A N 0.354 123.367 122.820 0.321 0.000 2.365 286 A HA 0.911 5.232 4.320 0.001 0.000 0.318 286 A C -2.373 175.007 177.584 -0.341 0.000 1.091 286 A CA -1.533 50.525 52.037 0.035 0.000 0.763 286 A CB 2.194 21.186 19.000 -0.013 0.000 1.248 286 A HN 0.141 nan 8.150 nan 0.000 0.442 287 P HA 0.252 nan 4.420 nan 0.000 0.275 287 P C -0.087 176.866 177.300 -0.578 0.000 1.228 287 P CA -0.009 62.272 63.100 -1.365 0.000 0.786 287 P CB 0.925 31.849 31.700 -1.293 0.000 0.927 288 L N 1.468 122.422 121.223 -0.448 0.000 2.766 288 L HA 0.178 4.519 4.340 0.001 0.000 0.242 288 L C 1.907 178.681 176.870 -0.159 0.000 1.136 288 L CA 0.181 54.895 54.840 -0.212 0.000 0.933 288 L CB -0.233 41.752 42.059 -0.122 0.000 1.241 288 L HN 0.216 nan 8.230 nan 0.000 0.522 289 M N -0.725 118.765 119.600 -0.183 0.000 2.556 289 M HA 0.088 4.569 4.480 0.001 0.000 0.245 289 M C 0.178 176.451 176.300 -0.046 0.000 1.128 289 M CA 0.617 55.846 55.300 -0.119 0.000 1.069 289 M CB -0.644 31.880 32.600 -0.128 0.000 1.469 289 M HN 0.043 nan 8.290 nan 0.000 0.494 290 Y N 0.987 121.188 120.300 -0.165 0.000 2.387 290 Y HA 0.460 5.011 4.550 0.001 0.000 0.336 290 Y C -0.945 174.893 175.900 -0.103 0.000 1.067 290 Y CA -0.991 57.032 58.100 -0.129 0.000 1.114 290 Y CB 1.061 39.440 38.460 -0.135 0.000 1.208 290 Y HN 0.017 nan 8.280 nan 0.000 0.458 291 D N 4.974 124.843 120.400 -0.886 0.000 2.548 291 D HA 0.045 4.686 4.640 0.001 0.000 0.214 291 D C 0.168 175.999 176.300 -0.781 0.000 1.345 291 D CA -0.235 53.383 54.000 -0.637 0.000 0.945 291 D CB 1.292 41.910 40.800 -0.302 0.000 1.499 291 D HN 0.824 nan 8.370 nan 0.000 0.579 292 E N 1.465 121.260 120.200 -0.675 0.000 2.273 292 E HA -0.157 4.193 4.350 0.001 0.000 0.198 292 E C 1.304 177.776 176.600 -0.214 0.000 1.002 292 E CA 1.599 57.779 56.400 -0.367 0.000 0.828 292 E CB 0.352 30.003 29.700 -0.081 0.000 0.747 292 E HN 0.613 nan 8.360 nan 0.000 0.491 293 T N -3.062 111.381 114.554 -0.185 0.000 3.065 293 T HA 0.180 4.531 4.350 0.001 0.000 0.252 293 T C 0.917 175.564 174.700 -0.089 0.000 1.099 293 T CA 0.287 62.323 62.100 -0.106 0.000 1.063 293 T CB 0.332 69.154 68.868 -0.076 0.000 0.948 293 T HN 0.063 nan 8.240 nan 0.000 0.506 294 G N 0.409 109.132 108.800 -0.128 0.000 2.507 294 G HA2 0.423 4.384 3.960 0.001 0.000 0.271 294 G HA3 0.423 4.384 3.960 0.001 0.000 0.271 294 G C -0.837 174.055 174.900 -0.013 0.000 1.189 294 G CA -0.994 44.069 45.100 -0.061 0.000 0.859 294 G HN 0.489 nan 8.290 nan 0.000 0.542 295 Y N 1.454 121.729 120.300 -0.040 0.000 2.721 295 Y HA 0.246 4.796 4.550 0.001 0.000 0.329 295 Y C 1.073 176.974 175.900 0.003 0.000 1.211 295 Y CA 0.677 58.769 58.100 -0.013 0.000 1.512 295 Y CB 0.372 38.841 38.460 0.015 0.000 1.249 295 Y HN 1.382 nan 8.280 nan 0.000 0.549 296 A N 3.940 126.359 122.820 -0.669 0.000 2.816 296 A HA -0.157 4.164 4.320 0.001 0.000 0.270 296 A C 1.523 178.983 177.584 -0.206 0.000 1.413 296 A CA 1.354 53.096 52.037 -0.492 0.000 0.866 296 A CB -2.425 16.243 19.000 -0.554 0.000 1.032 296 A HN 2.631 nan 8.150 nan 0.000 0.642 297 G N -2.551 106.131 108.800 -0.197 0.000 2.221 297 G HA2 -0.175 3.786 3.960 0.001 0.000 0.265 297 G HA3 -0.175 3.786 3.960 0.001 0.000 0.265 297 G C -0.044 174.685 174.900 -0.285 0.000 1.041 297 G CA 0.609 45.547 45.100 -0.269 0.000 0.807 297 G HN 1.485 nan 8.290 nan 0.000 0.502 298 L N 1.073 122.194 121.223 -0.169 0.000 2.325 298 L HA 0.615 4.956 4.340 0.001 0.000 0.279 298 L C 1.253 178.028 176.870 -0.158 0.000 1.054 298 L CA -0.365 54.400 54.840 -0.126 0.000 0.804 298 L CB 1.692 43.726 42.059 -0.041 0.000 1.200 298 L HN 0.395 nan 8.230 nan 0.000 0.436 299 S N -0.073 115.531 115.700 -0.159 0.000 2.645 299 S HA 0.161 4.632 4.470 0.001 0.000 0.266 299 S C 0.515 175.009 174.600 -0.177 0.000 1.258 299 S CA -0.749 57.357 58.200 -0.156 0.000 0.990 299 S CB 1.135 64.258 63.200 -0.128 0.000 0.967 299 S HN 0.596 nan 8.310 nan 0.000 0.556 300 D N 1.184 121.467 120.400 -0.194 0.000 2.144 300 D HA -0.063 4.578 4.640 0.001 0.000 0.199 300 D C 1.924 178.004 176.300 -0.366 0.000 0.984 300 D CA 1.656 55.447 54.000 -0.348 0.000 0.834 300 D CB -1.007 39.657 40.800 -0.228 0.000 0.955 300 D HN 0.666 nan 8.370 nan 0.000 0.465 301 T N 0.796 115.272 114.554 -0.131 0.000 2.684 301 T HA -0.140 4.211 4.350 0.001 0.000 0.267 301 T C 2.032 176.725 174.700 -0.011 0.000 1.036 301 T CA 1.694 63.785 62.100 -0.014 0.000 1.148 301 T CB -0.306 68.562 68.868 -0.000 0.000 0.863 301 T HN 0.221 nan 8.240 nan 0.000 0.436 302 A N 1.386 124.156 122.820 -0.084 0.000 1.902 302 A HA -0.104 4.217 4.320 0.001 0.000 0.217 302 A C 2.295 179.818 177.584 -0.102 0.000 1.181 302 A CA 1.835 53.813 52.037 -0.097 0.000 0.623 302 A CB -0.578 18.345 19.000 -0.127 0.000 0.818 302 A HN 0.414 nan 8.150 nan 0.000 0.443 303 R N -1.140 119.249 120.500 -0.184 0.000 2.081 303 R HA -0.160 4.181 4.340 0.001 0.000 0.235 303 R C 1.996 178.208 176.300 -0.147 0.000 1.131 303 R CA 1.831 57.786 56.100 -0.241 0.000 0.960 303 R CB -0.408 29.732 30.300 -0.268 0.000 0.856 303 R HN 0.795 nan 8.270 nan 0.000 0.436 304 H N -2.058 116.983 119.070 -0.048 0.000 2.457 304 H HA -0.147 4.410 4.556 0.001 0.000 0.294 304 H C 1.581 176.900 175.328 -0.015 0.000 1.064 304 H CA 1.266 57.291 56.048 -0.039 0.000 1.330 304 H CB 0.003 29.752 29.762 -0.022 0.000 1.395 304 H HN 0.295 nan 8.280 nan 0.000 0.541 305 Y N 1.172 121.473 120.300 0.001 0.000 2.163 305 Y HA -0.213 4.338 4.550 0.001 0.000 0.288 305 Y C 2.190 178.030 175.900 -0.100 0.000 1.136 305 Y CA 1.353 59.431 58.100 -0.038 0.000 1.147 305 Y CB -0.118 38.308 38.460 -0.058 0.000 0.987 305 Y HN 0.062 nan 8.280 nan 0.000 0.509 306 I N -0.317 120.296 120.570 0.071 0.000 2.226 306 I HA -0.298 3.873 4.170 0.001 0.000 0.245 306 I C 2.672 178.717 176.117 -0.121 0.000 1.100 306 I CA 1.451 62.693 61.300 -0.097 0.000 1.374 306 I CB -1.028 36.771 38.000 -0.336 0.000 1.057 306 I HN 0.369 nan 8.210 nan 0.000 0.413 307 G N 0.541 109.282 108.800 -0.097 0.000 2.469 307 G HA2 -0.224 3.736 3.960 0.001 0.000 0.220 307 G HA3 -0.224 3.736 3.960 0.001 0.000 0.220 307 G C 1.710 176.569 174.900 -0.068 0.000 1.136 307 G CA 0.937 46.001 45.100 -0.060 0.000 0.759 307 G HN 0.514 nan 8.290 nan 0.000 0.562 308 G N 0.737 109.487 108.800 -0.083 0.000 2.402 308 G HA2 -0.112 3.848 3.960 0.001 0.000 0.216 308 G HA3 -0.112 3.848 3.960 0.001 0.000 0.216 308 G C 1.811 176.670 174.900 -0.067 0.000 1.162 308 G CA 0.715 45.774 45.100 -0.067 0.000 0.777 308 G HN 0.427 nan 8.290 nan 0.000 0.539 309 L N -0.130 120.994 121.223 -0.167 0.000 2.017 309 L HA -0.000 4.340 4.340 0.001 0.000 0.208 309 L C 2.880 179.678 176.870 -0.119 0.000 1.073 309 L CA 0.725 55.420 54.840 -0.241 0.000 0.745 309 L CB -0.374 41.385 42.059 -0.499 0.000 0.894 309 L HN 0.181 nan 8.230 nan 0.000 0.432 310 L N -1.366 119.820 121.223 -0.062 0.000 2.156 310 L HA -0.186 4.154 4.340 0.001 0.000 0.208 310 L C 2.593 179.466 176.870 0.006 0.000 1.095 310 L CA 0.813 55.667 54.840 0.023 0.000 0.770 310 L CB -0.647 41.447 42.059 0.058 0.000 0.914 310 L HN 0.315 nan 8.230 nan 0.000 0.439 311 H N -0.682 118.295 119.070 -0.154 0.000 2.363 311 H HA -0.122 4.435 4.556 0.001 0.000 0.301 311 H C 2.154 177.282 175.328 -0.333 0.000 1.074 311 H CA 1.619 57.508 56.048 -0.266 0.000 1.354 311 H CB 0.172 29.694 29.762 -0.400 0.000 1.397 311 H HN 0.242 nan 8.280 nan 0.000 0.516 312 H N -0.502 118.416 119.070 -0.253 0.000 2.551 312 H HA 0.247 4.804 4.556 0.001 0.000 0.266 312 H C 2.225 177.474 175.328 -0.132 0.000 0.964 312 H CA 0.651 56.473 56.048 -0.376 0.000 1.180 312 H CB -0.154 29.206 29.762 -0.671 0.000 1.408 312 H HN 0.535 nan 8.280 nan 0.000 0.563 313 A N 2.286 125.147 122.820 0.068 0.000 1.929 313 A HA -0.191 4.130 4.320 0.001 0.000 0.221 313 A C -0.133 177.550 177.584 0.166 0.000 1.211 313 A CA 1.824 53.968 52.037 0.178 0.000 0.657 313 A CB -1.479 17.642 19.000 0.203 0.000 0.827 313 A HN 0.306 nan 8.150 nan 0.000 0.462 314 P HA -0.154 nan 4.420 nan 0.000 0.218 314 P C 1.625 178.996 177.300 0.119 0.000 1.146 314 P CA 2.052 65.202 63.100 0.083 0.000 0.813 314 P CB -0.066 31.642 31.700 0.014 0.000 0.778 315 S N -2.313 113.482 115.700 0.159 0.000 2.564 315 S HA 0.056 4.527 4.470 0.001 0.000 0.231 315 S C 1.672 176.435 174.600 0.271 0.000 1.067 315 S CA -0.109 58.218 58.200 0.212 0.000 0.908 315 S CB -1.321 62.045 63.200 0.276 0.000 0.809 315 S HN 0.011 nan 8.310 nan 0.000 0.491 316 L N 2.210 123.630 121.223 0.329 0.000 2.079 316 L HA 0.146 4.487 4.340 0.001 0.000 0.210 316 L C 1.998 179.086 176.870 0.362 0.000 1.081 316 L CA 1.659 56.729 54.840 0.384 0.000 0.752 316 L CB -0.720 41.558 42.059 0.365 0.000 0.896 316 L HN 0.377 nan 8.230 nan 0.000 0.433 317 L N -0.418 120.998 121.223 0.323 0.000 2.362 317 L HA -0.112 4.229 4.340 0.001 0.000 0.219 317 L C 2.585 179.636 176.870 0.301 0.000 1.134 317 L CA 0.780 55.813 54.840 0.321 0.000 0.807 317 L CB -1.081 41.180 42.059 0.338 0.000 0.927 317 L HN 0.442 nan 8.230 nan 0.000 0.447 318 A N -0.198 122.752 122.820 0.216 0.000 2.076 318 A HA -0.173 4.148 4.320 0.001 0.000 0.220 318 A C 1.889 179.515 177.584 0.070 0.000 1.160 318 A CA 1.534 53.640 52.037 0.115 0.000 0.653 318 A CB -0.431 18.537 19.000 -0.053 0.000 0.801 318 A HN 0.405 nan 8.150 nan 0.000 0.455 319 F N -1.151 118.963 119.950 0.273 0.000 2.602 319 F HA 0.024 4.552 4.527 0.001 0.000 0.284 319 F C 2.698 178.629 175.800 0.219 0.000 1.111 319 F CA 1.051 59.150 58.000 0.166 0.000 1.405 319 F CB 0.118 39.087 39.000 -0.053 0.000 1.121 319 F HN 0.272 nan 8.300 nan 0.000 0.603 320 T N -2.912 111.879 114.554 0.394 0.000 3.035 320 T HA 0.084 4.434 4.350 0.001 0.000 0.259 320 T C 0.467 175.292 174.700 0.209 0.000 1.078 320 T CA 0.563 62.852 62.100 0.315 0.000 1.132 320 T CB -0.362 68.713 68.868 0.346 0.000 0.900 320 T HN -0.013 nan 8.240 nan 0.000 0.480 321 N N 2.341 121.156 118.700 0.191 0.000 2.765 321 N HA 0.345 5.086 4.740 0.001 0.000 0.277 321 N C -2.598 172.994 175.510 0.137 0.000 1.750 321 N CA -1.343 51.737 53.050 0.050 0.000 0.827 321 N CB 1.979 40.376 38.487 -0.150 0.000 1.200 321 N HN 0.267 nan 8.380 nan 0.000 0.494 322 P HA 0.050 nan 4.420 nan 0.000 0.262 322 P C -0.285 177.123 177.300 0.180 0.000 1.304 322 P CA 0.358 63.629 63.100 0.284 0.000 0.859 322 P CB 0.226 32.203 31.700 0.461 0.000 1.310 323 T N -4.630 110.013 114.554 0.149 0.000 2.930 323 T HA 0.361 4.712 4.350 0.001 0.000 0.290 323 T C 1.178 175.983 174.700 0.174 0.000 1.052 323 T CA -0.651 61.515 62.100 0.111 0.000 1.017 323 T CB 1.280 70.184 68.868 0.061 0.000 1.137 323 T HN -0.289 nan 8.240 nan 0.000 0.511 324 V N 1.596 121.580 119.914 0.117 0.000 2.343 324 V HA -0.170 3.951 4.120 0.001 0.000 0.247 324 V C 2.839 179.015 176.094 0.136 0.000 1.051 324 V CA 2.212 64.595 62.300 0.137 0.000 1.036 324 V CB -1.030 30.820 31.823 0.044 0.000 0.654 324 V HN 1.004 nan 8.190 nan 0.000 0.451 325 N N -0.038 118.692 118.700 0.049 0.000 2.309 325 N HA -0.153 4.587 4.740 0.001 0.000 0.182 325 N C 1.946 177.451 175.510 -0.008 0.000 1.018 325 N CA 1.340 54.394 53.050 0.006 0.000 0.876 325 N CB 0.058 38.523 38.487 -0.038 0.000 0.972 325 N HN 0.460 nan 8.380 nan 0.000 0.434 326 S N 0.124 115.793 115.700 -0.051 0.000 2.380 326 S HA -0.178 4.292 4.470 0.001 0.000 0.229 326 S C 1.310 175.709 174.600 -0.335 0.000 1.043 326 S CA 1.354 59.409 58.200 -0.243 0.000 1.038 326 S CB -0.459 62.458 63.200 -0.473 0.000 0.872 326 S HN 0.498 nan 8.310 nan 0.000 0.456 327 Y N 0.841 121.166 120.300 0.042 0.000 2.546 327 Y HA 0.156 4.707 4.550 0.001 0.000 0.287 327 Y C 2.038 177.960 175.900 0.036 0.000 1.158 327 Y CA 0.349 58.475 58.100 0.044 0.000 1.307 327 Y CB -0.067 38.417 38.460 0.041 0.000 1.036 327 Y HN 0.021 nan 8.280 nan 0.000 0.532 328 K N 0.255 120.711 120.400 0.093 0.000 2.296 328 K HA -0.045 4.275 4.320 0.001 0.000 0.200 328 K C 2.107 178.719 176.600 0.020 0.000 1.048 328 K CA 0.610 56.931 56.287 0.056 0.000 0.966 328 K CB -0.032 32.484 32.500 0.027 0.000 0.754 328 K HN 0.187 nan 8.250 nan 0.000 0.466 329 R N 0.282 120.780 120.500 -0.003 0.000 2.093 329 R HA 0.078 4.419 4.340 0.001 0.000 0.224 329 R C 0.273 176.594 176.300 0.034 0.000 1.101 329 R CA 0.589 56.684 56.100 -0.009 0.000 0.979 329 R CB 0.018 30.312 30.300 -0.010 0.000 0.877 329 R HN 0.078 nan 8.270 nan 0.000 0.441 330 L N 3.544 124.792 121.223 0.042 0.000 2.650 330 L HA 0.152 4.493 4.340 0.001 0.000 0.239 330 L C -0.413 176.529 176.870 0.119 0.000 1.412 330 L CA -0.520 54.374 54.840 0.091 0.000 1.219 330 L CB 0.147 42.268 42.059 0.104 0.000 1.534 330 L HN 0.063 nan 8.230 nan 0.000 0.430 331 V N -1.892 118.089 119.914 0.112 0.000 2.914 331 V HA 0.711 4.831 4.120 0.001 0.000 0.314 331 V C -2.499 173.627 176.094 0.053 0.000 1.084 331 V CA -2.343 60.022 62.300 0.109 0.000 0.963 331 V CB 1.817 33.719 31.823 0.132 0.000 1.025 331 V HN 0.050 nan 8.190 nan 0.000 0.432 332 P HA 0.413 nan 4.420 nan 0.000 0.271 332 P C 0.709 177.571 177.300 -0.729 0.000 1.218 332 P CA 1.274 64.058 63.100 -0.527 0.000 0.780 332 P CB 1.192 32.718 31.700 -0.289 0.000 0.901 333 G N 1.221 109.180 108.800 -1.401 0.000 2.148 333 G HA2 -0.223 3.738 3.960 0.001 0.000 0.203 333 G HA3 -0.223 3.738 3.960 0.001 0.000 0.203 333 G C -0.120 174.205 174.900 -0.958 0.000 0.993 333 G CA -0.288 44.186 45.100 -1.044 0.000 0.661 333 G HN 0.499 nan 8.290 nan 0.000 0.518 334 Y N -0.072 120.083 120.300 -0.241 0.000 2.768 334 Y HA 0.434 4.985 4.550 0.001 0.000 0.249 334 Y C 1.067 176.997 175.900 0.050 0.000 1.146 334 Y CA -0.135 57.934 58.100 -0.051 0.000 1.171 334 Y CB 0.267 38.704 38.460 -0.038 0.000 1.249 334 Y HN 0.397 nan 8.280 nan 0.000 0.567 335 E N -0.697 119.641 120.200 0.231 0.000 3.070 335 E HA -0.208 4.142 4.350 0.001 0.000 0.285 335 E C 0.187 176.930 176.600 0.238 0.000 0.972 335 E CA 0.494 57.040 56.400 0.243 0.000 0.915 335 E CB -1.308 28.472 29.700 0.135 0.000 1.466 335 E HN 0.384 nan 8.360 nan 0.000 0.432 336 A N 0.616 123.597 122.820 0.269 0.000 2.320 336 A HA 0.695 5.016 4.320 0.001 0.000 0.334 336 A C -2.549 175.185 177.584 0.250 0.000 1.147 336 A CA -1.523 50.642 52.037 0.214 0.000 0.820 336 A CB 0.912 20.016 19.000 0.173 0.000 1.218 336 A HN -0.128 nan 8.150 nan 0.000 0.482 337 P HA 0.334 nan 4.420 nan 0.000 0.275 337 P C 0.290 177.711 177.300 0.203 0.000 1.227 337 P CA -0.082 63.126 63.100 0.179 0.000 0.781 337 P CB 0.477 32.246 31.700 0.115 0.000 0.906 338 I N -0.989 119.720 120.570 0.231 0.000 4.288 338 I HA 0.338 4.508 4.170 0.001 0.000 0.331 338 I C -0.099 176.110 176.117 0.155 0.000 1.322 338 I CA -0.166 61.253 61.300 0.199 0.000 1.149 338 I CB 0.008 38.149 38.000 0.235 0.000 1.112 338 I HN 0.184 nan 8.210 nan 0.000 0.403 339 N N 1.054 119.836 118.700 0.137 0.000 2.774 339 N HA 0.459 5.199 4.740 0.001 0.000 0.264 339 N C -1.073 174.507 175.510 0.116 0.000 1.415 339 N CA -0.937 52.180 53.050 0.111 0.000 0.815 339 N CB 1.025 39.561 38.487 0.082 0.000 1.514 339 N HN 0.079 nan 8.380 nan 0.000 0.523 340 L N 0.590 121.878 121.223 0.108 0.000 2.556 340 L HA 0.510 4.851 4.340 0.001 0.000 0.245 340 L C -0.360 176.581 176.870 0.119 0.000 1.174 340 L CA -0.774 54.143 54.840 0.128 0.000 1.117 340 L CB -0.265 41.865 42.059 0.119 0.000 1.409 340 L HN 0.515 nan 8.230 nan 0.000 0.411 341 V N -1.815 118.169 119.914 0.117 0.000 3.074 341 V HA 0.639 4.760 4.120 0.001 0.000 0.314 341 V C -0.732 175.471 176.094 0.182 0.000 1.117 341 V CA -0.988 61.381 62.300 0.115 0.000 1.014 341 V CB 1.778 33.610 31.823 0.014 0.000 1.057 341 V HN 0.397 nan 8.190 nan 0.000 0.438 342 Y N 0.140 120.456 120.300 0.026 0.000 2.528 342 Y HA 0.904 5.454 4.550 0.001 0.000 0.335 342 Y C -0.153 175.776 175.900 0.048 0.000 1.093 342 Y CA -0.470 57.657 58.100 0.046 0.000 1.134 342 Y CB 2.055 40.550 38.460 0.058 0.000 1.253 342 Y HN 1.024 nan 8.280 nan 0.000 0.478 343 S N 2.204 117.933 115.700 0.048 0.000 2.583 343 S HA 0.179 4.650 4.470 0.001 0.000 0.294 343 S C -1.594 173.068 174.600 0.104 0.000 1.121 343 S CA -0.975 57.231 58.200 0.010 0.000 0.910 343 S CB 0.856 64.026 63.200 -0.050 0.000 1.102 343 S HN 1.042 nan 8.310 nan 0.000 0.451 344 Q N 3.672 123.548 119.800 0.127 0.000 2.364 344 Q HA 0.472 4.813 4.340 0.001 0.000 0.267 344 Q C 0.598 176.594 176.000 -0.005 0.000 0.999 344 Q CA -0.083 55.726 55.803 0.011 0.000 0.886 344 Q CB 0.350 29.003 28.738 -0.142 0.000 1.243 344 Q HN 0.846 nan 8.270 nan 0.000 0.415 345 R N 0.450 120.942 120.500 -0.013 0.000 3.977 345 R HA -0.209 4.132 4.340 0.001 0.000 0.428 345 R C -0.821 175.463 176.300 -0.027 0.000 1.079 345 R CA 1.129 57.218 56.100 -0.018 0.000 1.269 345 R CB -1.048 29.238 30.300 -0.024 0.000 1.856 345 R HN 0.884 nan 8.270 nan 0.000 0.551 346 N N 0.753 119.435 118.700 -0.029 0.000 2.527 346 N HA 0.171 4.912 4.740 0.001 0.000 0.236 346 N C 0.300 175.769 175.510 -0.067 0.000 0.999 346 N CA -0.204 52.814 53.050 -0.054 0.000 0.935 346 N CB 0.736 39.190 38.487 -0.055 0.000 1.132 346 N HN 0.199 nan 8.380 nan 0.000 0.511 347 R N 0.600 121.055 120.500 -0.076 0.000 2.323 347 R HA 0.022 4.363 4.340 0.001 0.000 0.198 347 R C 1.107 177.366 176.300 -0.068 0.000 0.988 347 R CA 0.497 56.555 56.100 -0.070 0.000 1.041 347 R CB 0.203 30.470 30.300 -0.054 0.000 0.926 347 R HN 0.521 nan 8.270 nan 0.000 0.476 348 S N -1.290 114.314 115.700 -0.161 0.000 2.540 348 S HA 0.274 4.745 4.470 0.001 0.000 0.218 348 S C 0.686 175.175 174.600 -0.186 0.000 0.977 348 S CA -0.446 57.562 58.200 -0.320 0.000 0.918 348 S CB 0.655 63.336 63.200 -0.866 0.000 0.806 348 S HN 0.187 nan 8.310 nan 0.000 0.496 349 A N 0.243 123.009 122.820 -0.091 0.000 2.252 349 A HA 0.603 4.924 4.320 0.001 0.000 0.305 349 A C 1.401 179.010 177.584 0.042 0.000 1.097 349 A CA -0.322 51.703 52.037 -0.020 0.000 0.849 349 A CB 0.403 19.401 19.000 -0.005 0.000 1.142 349 A HN 0.436 nan 8.150 nan 0.000 0.499 350 C N -0.181 119.182 119.300 0.104 0.000 2.475 350 C HA 0.299 4.760 4.460 0.001 0.000 0.279 350 C C 0.568 175.703 174.990 0.243 0.000 1.322 350 C CA 0.831 59.952 59.018 0.172 0.000 1.734 350 C CB -0.773 27.109 27.740 0.236 0.000 2.005 350 C HN 0.502 nan 8.230 nan 0.000 0.495 351 V N 2.427 122.480 119.914 0.232 0.000 2.483 351 V HA 0.406 4.527 4.120 0.001 0.000 0.297 351 V C -0.245 175.941 176.094 0.154 0.000 1.027 351 V CA -0.447 61.989 62.300 0.227 0.000 0.855 351 V CB 1.278 33.243 31.823 0.237 0.000 0.995 351 V HN 0.413 nan 8.190 nan 0.000 0.424 352 R N 5.362 125.897 120.500 0.059 0.000 2.407 352 R HA 0.605 4.946 4.340 0.001 0.000 0.303 352 R C -1.130 175.183 176.300 0.020 0.000 0.981 352 R CA -0.722 55.395 56.100 0.028 0.000 0.905 352 R CB 1.204 31.480 30.300 -0.040 0.000 1.099 352 R HN 0.559 nan 8.270 nan 0.000 0.459 353 I N 6.437 127.040 120.570 0.055 0.000 2.306 353 I HA 0.302 4.473 4.170 0.001 0.000 0.288 353 I C -2.073 174.048 176.117 0.007 0.000 1.036 353 I CA -3.089 58.228 61.300 0.028 0.000 1.221 353 I CB 0.827 38.856 38.000 0.050 0.000 1.385 353 I HN 0.532 nan 8.210 nan 0.000 0.472 354 P HA 0.138 nan 4.420 nan 0.000 0.271 354 P C -0.314 177.005 177.300 0.031 0.000 1.218 354 P CA -0.318 62.811 63.100 0.048 0.000 0.780 354 P CB 1.065 32.841 31.700 0.126 0.000 0.901 355 I N 3.646 124.230 120.570 0.024 0.000 2.421 355 I HA 0.044 4.215 4.170 0.001 0.000 0.291 355 I C 1.634 177.764 176.117 0.022 0.000 1.089 355 I CA 0.590 61.896 61.300 0.010 0.000 1.354 355 I CB -0.524 37.476 38.000 0.001 0.000 1.413 355 I HN 0.479 nan 8.210 nan 0.000 0.513 356 T N 1.257 115.823 114.554 0.020 0.000 2.958 356 T HA 0.466 4.817 4.350 0.001 0.000 0.256 356 T C 0.921 175.625 174.700 0.006 0.000 0.983 356 T CA 0.256 62.368 62.100 0.019 0.000 0.924 356 T CB 0.723 69.604 68.868 0.022 0.000 1.136 356 T HN 0.878 nan 8.240 nan 0.000 0.506 357 G N 1.915 110.724 108.800 0.015 0.000 2.499 357 G HA2 -0.257 3.704 3.960 0.001 0.000 0.232 357 G HA3 -0.257 3.704 3.960 0.001 0.000 0.232 357 G C 0.972 175.880 174.900 0.014 0.000 1.251 357 G CA 0.698 45.806 45.100 0.012 0.000 0.917 357 G HN 1.133 nan 8.290 nan 0.000 0.580 358 S N -0.104 115.576 115.700 -0.034 0.000 2.478 358 S HA 0.123 4.594 4.470 0.001 0.000 0.222 358 S C 0.964 175.344 174.600 -0.367 0.000 1.008 358 S CA 1.196 59.340 58.200 -0.094 0.000 0.928 358 S CB -0.036 63.141 63.200 -0.038 0.000 0.781 358 S HN 1.152 nan 8.310 nan 0.000 0.518 359 N N 3.786 122.326 118.700 -0.267 0.000 2.427 359 N HA 0.204 4.944 4.740 0.001 0.000 0.269 359 N C -2.010 173.236 175.510 -0.441 0.000 1.235 359 N CA -1.834 51.043 53.050 -0.288 0.000 0.934 359 N CB 1.138 39.547 38.487 -0.131 0.000 1.121 359 N HN 0.076 nan 8.380 nan 0.000 0.480 360 P HA -0.062 nan 4.420 nan 0.000 0.223 360 P C 0.525 177.650 177.300 -0.292 0.000 1.151 360 P CA 1.232 63.993 63.100 -0.566 0.000 0.787 360 P CB 0.300 31.730 31.700 -0.450 0.000 0.788 361 K N -0.311 119.983 120.400 -0.176 0.000 2.217 361 K HA 0.066 4.387 4.320 0.001 0.000 0.202 361 K C 1.945 178.607 176.600 0.102 0.000 1.051 361 K CA 1.188 57.492 56.287 0.029 0.000 0.952 361 K CB -0.356 32.278 32.500 0.223 0.000 0.736 361 K HN 0.059 nan 8.250 nan 0.000 0.453 362 A N 1.340 124.159 122.820 -0.002 0.000 2.169 362 A HA -0.004 4.316 4.320 0.001 0.000 0.212 362 A C 0.737 178.318 177.584 -0.005 0.000 1.153 362 A CA 0.240 52.280 52.037 0.005 0.000 0.756 362 A CB 0.021 19.017 19.000 -0.005 0.000 0.813 362 A HN -0.017 nan 8.150 nan 0.000 0.471 363 K N 1.778 122.165 120.400 -0.023 0.000 2.349 363 K HA 0.249 4.570 4.320 0.001 0.000 0.288 363 K C 0.308 176.898 176.600 -0.016 0.000 1.058 363 K CA -0.030 56.266 56.287 0.015 0.000 0.953 363 K CB 0.223 32.785 32.500 0.104 0.000 0.997 363 K HN 0.561 nan 8.250 nan 0.000 0.477 364 R N 3.101 123.591 120.500 -0.017 0.000 2.747 364 R HA 0.366 4.707 4.340 0.001 0.000 0.272 364 R C -1.707 174.552 176.300 -0.069 0.000 1.032 364 R CA -0.939 55.124 56.100 -0.062 0.000 0.896 364 R CB -0.219 30.041 30.300 -0.067 0.000 1.253 364 R HN 0.414 nan 8.270 nan 0.000 0.461 365 L N -1.497 119.651 121.223 -0.125 0.000 2.334 365 L HA 0.664 5.005 4.340 0.001 0.000 0.275 365 L C -0.045 176.718 176.870 -0.178 0.000 1.036 365 L CA -0.467 54.304 54.840 -0.114 0.000 0.807 365 L CB 1.401 43.396 42.059 -0.107 0.000 1.231 365 L HN 0.755 nan 8.230 nan 0.000 0.438 366 E N 2.270 122.343 120.200 -0.212 0.000 2.114 366 E HA 0.259 4.610 4.350 0.001 0.000 0.266 366 E C -1.706 174.902 176.600 0.013 0.000 0.896 366 E CA -0.756 55.449 56.400 -0.324 0.000 0.750 366 E CB 0.957 30.284 29.700 -0.622 0.000 1.121 366 E HN 0.625 nan 8.360 nan 0.000 0.413 367 F N 5.196 125.112 119.950 -0.057 0.000 2.404 367 F HA 0.293 4.821 4.527 0.001 0.000 0.359 367 F C 0.724 176.577 175.800 0.089 0.000 1.134 367 F CA -0.752 57.279 58.000 0.052 0.000 1.160 367 F CB 0.492 39.570 39.000 0.131 0.000 1.186 367 F HN 0.572 nan 8.300 nan 0.000 0.526 368 R N 1.962 122.426 120.500 -0.059 0.000 2.276 368 R HA -0.035 4.305 4.340 0.001 0.000 0.196 368 R C 2.311 178.534 176.300 -0.128 0.000 0.961 368 R CA 0.721 56.735 56.100 -0.142 0.000 1.024 368 R CB 0.068 30.228 30.300 -0.235 0.000 0.940 368 R HN 0.622 nan 8.270 nan 0.000 0.480 369 S N 1.161 116.577 115.700 -0.473 0.000 2.356 369 S HA -0.006 4.465 4.470 0.001 0.000 0.223 369 S C -1.594 172.856 174.600 -0.249 0.000 1.032 369 S CA 0.577 58.544 58.200 -0.389 0.000 1.005 369 S CB -0.556 62.324 63.200 -0.533 0.000 0.867 369 S HN 0.082 nan 8.310 nan 0.000 0.449 370 P HA 0.233 nan 4.420 nan 0.000 0.270 370 P C -0.891 176.441 177.300 0.052 0.000 1.223 370 P CA -0.076 63.002 63.100 -0.037 0.000 0.785 370 P CB 0.480 32.231 31.700 0.086 0.000 0.923 371 D N -1.906 118.542 120.400 0.080 0.000 2.585 371 D HA 0.372 5.013 4.640 0.001 0.000 0.254 371 D C -0.409 175.977 176.300 0.143 0.000 1.067 371 D CA -0.749 53.312 54.000 0.103 0.000 1.090 371 D CB 0.273 41.112 40.800 0.065 0.000 1.408 371 D HN 0.147 nan 8.370 nan 0.000 0.554 372 S N -1.561 114.243 115.700 0.173 0.000 2.537 372 S HA 0.166 4.637 4.470 0.001 0.000 0.246 372 S C 0.792 175.474 174.600 0.137 0.000 1.036 372 S CA -0.108 58.190 58.200 0.164 0.000 1.041 372 S CB -0.874 62.452 63.200 0.209 0.000 0.799 372 S HN 0.501 nan 8.310 nan 0.000 0.456 373 S N -0.339 115.439 115.700 0.131 0.000 2.603 373 S HA 0.456 4.926 4.470 0.001 0.000 0.220 373 S C 0.961 175.634 174.600 0.122 0.000 0.967 373 S CA 0.117 58.387 58.200 0.116 0.000 0.920 373 S CB 0.062 63.318 63.200 0.094 0.000 0.773 373 S HN 0.681 nan 8.310 nan 0.000 0.529 374 G N 1.113 109.997 108.800 0.139 0.000 3.366 374 G HA2 0.384 4.344 3.960 0.001 0.000 0.179 374 G HA3 0.384 4.344 3.960 0.001 0.000 0.179 374 G C -1.264 173.725 174.900 0.148 0.000 1.143 374 G CA -0.576 44.645 45.100 0.202 0.000 0.810 374 G HN 0.290 nan 8.290 nan 0.000 0.697 375 N N 1.256 120.064 118.700 0.179 0.000 2.483 375 N HA 0.361 5.102 4.740 0.001 0.000 0.267 375 N C -1.806 173.643 175.510 -0.101 0.000 0.998 375 N CA -1.861 51.240 53.050 0.086 0.000 0.918 375 N CB 2.862 41.461 38.487 0.186 0.000 1.215 375 N HN -0.016 nan 8.380 nan 0.000 0.500 376 P HA -0.061 nan 4.420 nan 0.000 0.222 376 P C 0.820 177.546 177.300 -0.957 0.000 1.153 376 P CA 1.014 63.611 63.100 -0.838 0.000 0.798 376 P CB 0.236 31.358 31.700 -0.962 0.000 0.796 377 Y N 0.406 120.455 120.300 -0.418 0.000 2.145 377 Y HA -0.133 4.418 4.550 0.001 0.000 0.286 377 Y C 2.726 178.461 175.900 -0.275 0.000 1.145 377 Y CA 1.081 58.999 58.100 -0.303 0.000 1.148 377 Y CB -1.604 36.738 38.460 -0.196 0.000 0.981 377 Y HN -0.210 nan 8.280 nan 0.000 0.507 378 L N -0.767 120.397 121.223 -0.097 0.000 2.056 378 L HA -0.190 4.151 4.340 0.001 0.000 0.207 378 L C 2.699 179.525 176.870 -0.073 0.000 1.078 378 L CA 1.076 55.799 54.840 -0.195 0.000 0.749 378 L CB -0.966 40.915 42.059 -0.297 0.000 0.901 378 L HN 0.245 nan 8.230 nan 0.000 0.433 379 A N 0.218 123.019 122.820 -0.031 0.000 1.873 379 A HA -0.180 4.140 4.320 0.001 0.000 0.215 379 A C 2.041 179.810 177.584 0.308 0.000 1.186 379 A CA 1.390 53.519 52.037 0.153 0.000 0.616 379 A CB -0.664 18.427 19.000 0.152 0.000 0.823 379 A HN 0.277 nan 8.150 nan 0.000 0.442 380 F N 0.933 120.860 119.950 -0.037 0.000 2.171 380 F HA -0.081 4.447 4.527 0.001 0.000 0.300 380 F C 2.810 178.565 175.800 -0.075 0.000 1.090 380 F CA 0.866 58.709 58.000 -0.263 0.000 1.293 380 F CB -1.352 37.118 39.000 -0.883 0.000 1.013 380 F HN 0.150 nan 8.300 nan 0.000 0.486 381 S N 0.214 116.005 115.700 0.151 0.000 2.368 381 S HA -0.132 4.339 4.470 0.001 0.000 0.225 381 S C 2.381 177.145 174.600 0.272 0.000 1.030 381 S CA 1.088 59.396 58.200 0.181 0.000 0.999 381 S CB -0.636 62.592 63.200 0.048 0.000 0.844 381 S HN 0.345 nan 8.310 nan 0.000 0.459 382 A N 1.370 124.323 122.820 0.221 0.000 1.930 382 A HA -0.015 4.306 4.320 0.001 0.000 0.217 382 A C 2.127 179.824 177.584 0.189 0.000 1.175 382 A CA 1.269 53.329 52.037 0.039 0.000 0.627 382 A CB -0.571 18.389 19.000 -0.067 0.000 0.815 382 A HN 0.464 nan 8.150 nan 0.000 0.443 383 M N -1.276 118.516 119.600 0.321 0.000 2.086 383 M HA -0.121 4.360 4.480 0.001 0.000 0.261 383 M C 2.201 178.657 176.300 0.260 0.000 1.067 383 M CA 1.477 56.985 55.300 0.347 0.000 1.116 383 M CB -0.462 32.483 32.600 0.575 0.000 1.348 383 M HN 0.453 nan 8.290 nan 0.000 0.407 384 L N 0.676 122.138 121.223 0.398 0.000 2.012 384 L HA -0.207 4.133 4.340 0.001 0.000 0.210 384 L C 2.326 179.291 176.870 0.158 0.000 1.073 384 L CA 1.951 57.001 54.840 0.350 0.000 0.748 384 L CB -0.528 41.791 42.059 0.432 0.000 0.891 384 L HN 0.274 nan 8.230 nan 0.000 0.431 385 M N -0.862 118.834 119.600 0.161 0.000 2.213 385 M HA -0.096 4.385 4.480 0.001 0.000 0.263 385 M C 2.355 178.732 176.300 0.128 0.000 1.062 385 M CA 1.595 56.967 55.300 0.120 0.000 1.105 385 M CB -1.757 30.846 32.600 0.005 0.000 1.385 385 M HN 0.448 nan 8.290 nan 0.000 0.417 386 A N 0.294 123.176 122.820 0.103 0.000 1.897 386 A HA 0.077 4.397 4.320 0.001 0.000 0.215 386 A C 2.466 179.955 177.584 -0.158 0.000 1.181 386 A CA 1.760 53.786 52.037 -0.019 0.000 0.620 386 A CB -1.357 17.639 19.000 -0.006 0.000 0.821 386 A HN 0.478 nan 8.150 nan 0.000 0.443 387 G N -0.068 108.450 108.800 -0.469 0.000 2.418 387 G HA2 -0.163 3.798 3.960 0.001 0.000 0.217 387 G HA3 -0.163 3.798 3.960 0.001 0.000 0.217 387 G C 1.545 176.190 174.900 -0.425 0.000 1.158 387 G CA 1.048 45.517 45.100 -1.051 0.000 0.771 387 G HN 0.418 nan 8.290 nan 0.000 0.545 388 L N 0.245 121.378 121.223 -0.150 0.000 2.093 388 L HA -0.036 4.304 4.340 0.001 0.000 0.208 388 L C 2.494 179.405 176.870 0.068 0.000 1.085 388 L CA 1.324 56.195 54.840 0.051 0.000 0.755 388 L CB -0.355 41.813 42.059 0.182 0.000 0.904 388 L HN 0.196 nan 8.230 nan 0.000 0.435 389 D N 0.117 120.560 120.400 0.072 0.000 2.144 389 D HA -0.141 4.500 4.640 0.001 0.000 0.199 389 D C 2.133 178.460 176.300 0.046 0.000 0.984 389 D CA 1.315 55.374 54.000 0.099 0.000 0.834 389 D CB 0.027 40.920 40.800 0.155 0.000 0.955 389 D HN 0.207 nan 8.370 nan 0.000 0.465 390 G N 0.173 108.974 108.800 0.001 0.000 2.402 390 G HA2 -0.188 3.773 3.960 0.001 0.000 0.216 390 G HA3 -0.188 3.773 3.960 0.001 0.000 0.216 390 G C 1.766 176.646 174.900 -0.033 0.000 1.162 390 G CA 0.645 45.720 45.100 -0.042 0.000 0.777 390 G HN 0.344 nan 8.290 nan 0.000 0.539 391 I N 0.233 120.818 120.570 0.025 0.000 2.202 391 I HA -0.092 4.079 4.170 0.001 0.000 0.242 391 I C 2.675 178.786 176.117 -0.010 0.000 1.091 391 I CA 1.290 62.632 61.300 0.069 0.000 1.368 391 I CB -0.126 37.946 38.000 0.120 0.000 1.058 391 I HN 0.104 nan 8.210 nan 0.000 0.410 392 K N 0.714 121.114 120.400 -0.001 0.000 2.097 392 K HA -0.136 4.184 4.320 0.001 0.000 0.206 392 K C 1.402 177.970 176.600 -0.053 0.000 1.049 392 K CA 1.355 57.638 56.287 -0.008 0.000 0.933 392 K CB 0.093 32.613 32.500 0.034 0.000 0.717 392 K HN 0.263 nan 8.250 nan 0.000 0.442 393 N N 0.747 119.395 118.700 -0.087 0.000 2.230 393 N HA 0.026 4.767 4.740 0.001 0.000 0.202 393 N C -0.825 174.544 175.510 -0.236 0.000 1.119 393 N CA 0.217 53.191 53.050 -0.127 0.000 0.851 393 N CB 0.718 39.142 38.487 -0.105 0.000 0.990 393 N HN 0.087 nan 8.380 nan 0.000 0.497 394 K N 0.841 121.013 120.400 -0.380 0.000 3.156 394 K HA -0.170 4.150 4.320 0.001 0.000 0.266 394 K C -0.497 175.757 176.600 -0.576 0.000 0.966 394 K CA 0.360 56.128 56.287 -0.866 0.000 0.719 394 K CB -1.600 30.503 32.500 -0.661 0.000 1.333 394 K HN 0.328 nan 8.250 nan 0.000 0.468 395 I N 1.958 122.326 120.570 -0.337 0.000 2.587 395 I HA -0.041 4.130 4.170 0.001 0.000 0.284 395 I C 0.972 177.069 176.117 -0.033 0.000 1.134 395 I CA 0.202 61.384 61.300 -0.197 0.000 1.410 395 I CB 0.344 38.205 38.000 -0.232 0.000 1.392 395 I HN 0.085 nan 8.210 nan 0.000 0.545 396 E N 8.875 129.066 120.200 -0.014 0.000 2.194 396 E HA 0.284 4.634 4.350 0.001 0.000 0.284 396 E C -2.023 174.591 176.600 0.023 0.000 1.035 396 E CA -1.730 54.706 56.400 0.061 0.000 0.836 396 E CB 0.703 30.433 29.700 0.049 0.000 1.070 396 E HN 0.355 nan 8.360 nan 0.000 0.401 397 P HA 0.004 nan 4.420 nan 0.000 0.272 397 P C -0.265 177.102 177.300 0.111 0.000 1.230 397 P CA -0.296 62.841 63.100 0.060 0.000 0.788 397 P CB 0.597 32.305 31.700 0.014 0.000 0.949 398 Q N 1.072 120.935 119.800 0.105 0.000 2.392 398 Q HA 0.393 4.733 4.340 0.001 0.000 0.262 398 Q C -0.160 175.870 176.000 0.050 0.000 1.003 398 Q CA -0.801 55.038 55.803 0.060 0.000 0.888 398 Q CB 0.246 29.003 28.738 0.033 0.000 1.260 398 Q HN 0.507 nan 8.270 nan 0.000 0.435 399 A N 4.161 126.959 122.820 -0.037 0.000 2.598 399 A HA 0.122 4.443 4.320 0.001 0.000 0.239 399 A C -1.856 175.543 177.584 -0.309 0.000 1.032 399 A CA -0.747 51.195 52.037 -0.158 0.000 0.760 399 A CB -0.751 18.162 19.000 -0.146 0.000 0.946 399 A HN 0.730 nan 8.150 nan 0.000 0.512 400 P HA 0.172 nan 4.420 nan 0.000 0.266 400 P C -0.706 176.341 177.300 -0.421 0.000 1.195 400 P CA 0.073 62.684 63.100 -0.816 0.000 0.768 400 P CB 0.577 31.483 31.700 -1.323 0.000 0.838 401 V N 3.689 123.434 119.914 -0.283 0.000 2.304 401 V HA 0.119 4.240 4.120 0.001 0.000 0.278 401 V C 0.225 176.243 176.094 -0.126 0.000 1.018 401 V CA -0.261 61.939 62.300 -0.166 0.000 0.814 401 V CB 0.930 32.683 31.823 -0.116 0.000 1.021 401 V HN 0.426 nan 8.190 nan 0.000 0.440 402 D N 5.074 125.417 120.400 -0.095 0.000 2.845 402 D HA 0.300 4.941 4.640 0.001 0.000 0.235 402 D C 0.177 176.442 176.300 -0.058 0.000 1.158 402 D CA 0.204 54.171 54.000 -0.054 0.000 0.990 402 D CB 0.443 41.238 40.800 -0.007 0.000 1.094 402 D HN 0.537 nan 8.370 nan 0.000 0.486 403 K N -0.113 120.240 120.400 -0.078 0.000 2.495 403 K HA 0.196 4.516 4.320 0.001 0.000 0.268 403 K C -0.692 175.838 176.600 -0.117 0.000 1.008 403 K CA -0.980 55.259 56.287 -0.081 0.000 0.882 403 K CB 1.860 34.318 32.500 -0.070 0.000 1.443 403 K HN -0.189 nan 8.250 nan 0.000 0.447 404 D N 2.112 122.442 120.400 -0.117 0.000 2.368 404 D HA 0.005 4.645 4.640 0.001 0.000 0.268 404 D C 0.548 176.730 176.300 -0.197 0.000 1.298 404 D CA 0.276 54.171 54.000 -0.176 0.000 0.938 404 D CB 0.481 41.215 40.800 -0.109 0.000 1.101 404 D HN 0.445 nan 8.370 nan 0.000 0.509 405 L N 3.829 124.858 121.223 -0.323 0.000 2.478 405 L HA -0.135 4.206 4.340 0.001 0.000 0.223 405 L C 1.266 178.062 176.870 -0.124 0.000 1.140 405 L CA 0.354 55.056 54.840 -0.229 0.000 0.842 405 L CB -0.301 41.625 42.059 -0.222 0.000 0.953 405 L HN 0.464 nan 8.230 nan 0.000 0.452 406 Y N -0.599 119.692 120.300 -0.015 0.000 2.457 406 Y HA -0.023 4.528 4.550 0.001 0.000 0.292 406 Y C 1.964 177.853 175.900 -0.019 0.000 1.125 406 Y CA 0.057 58.147 58.100 -0.017 0.000 1.254 406 Y CB -0.199 38.239 38.460 -0.037 0.000 1.012 406 Y HN 0.112 nan 8.280 nan 0.000 0.555 407 E N 0.363 120.611 120.200 0.081 0.000 2.496 407 E HA 0.199 4.550 4.350 0.001 0.000 0.200 407 E C -0.156 176.454 176.600 0.017 0.000 1.016 407 E CA -0.036 56.390 56.400 0.044 0.000 0.962 407 E CB 0.069 29.783 29.700 0.023 0.000 1.071 407 E HN 0.363 nan 8.360 nan 0.000 0.457 408 L N 3.350 124.582 121.223 0.015 0.000 2.416 408 L HA 0.140 4.481 4.340 0.001 0.000 0.272 408 L C -1.709 175.168 176.870 0.011 0.000 1.161 408 L CA -1.501 53.341 54.840 0.003 0.000 0.845 408 L CB -0.121 41.938 42.059 -0.000 0.000 1.119 408 L HN -0.159 nan 8.230 nan 0.000 0.464 409 P HA 0.056 nan 4.420 nan 0.000 0.267 409 P C -2.230 175.075 177.300 0.009 0.000 1.200 409 P CA -1.164 61.939 63.100 0.006 0.000 0.772 409 P CB 0.068 31.768 31.700 0.000 0.000 0.855 410 P HA -0.191 nan 4.420 nan 0.000 0.216 410 P C 1.460 178.767 177.300 0.012 0.000 1.154 410 P CA 1.634 64.742 63.100 0.014 0.000 0.865 410 P CB 0.048 31.756 31.700 0.013 0.000 0.789 411 E N -0.687 119.518 120.200 0.007 0.000 2.072 411 E HA -0.207 4.144 4.350 0.001 0.000 0.191 411 E C 2.122 178.724 176.600 0.003 0.000 0.985 411 E CA 0.891 57.294 56.400 0.005 0.000 0.801 411 E CB -0.230 29.471 29.700 0.002 0.000 0.750 411 E HN 0.391 nan 8.360 nan 0.000 0.452 412 E N 0.385 120.586 120.200 0.001 0.000 2.072 412 E HA -0.157 4.194 4.350 0.001 0.000 0.191 412 E C 2.012 178.613 176.600 0.002 0.000 0.985 412 E CA 0.818 57.217 56.400 -0.003 0.000 0.801 412 E CB -0.010 29.684 29.700 -0.009 0.000 0.750 412 E HN 0.187 nan 8.360 nan 0.000 0.452 413 A N 1.175 124.000 122.820 0.009 0.000 1.908 413 A HA -0.124 4.197 4.320 0.001 0.000 0.218 413 A C 2.342 179.939 177.584 0.022 0.000 1.181 413 A CA 1.794 53.842 52.037 0.018 0.000 0.627 413 A CB -0.705 18.311 19.000 0.028 0.000 0.818 413 A HN 0.385 nan 8.150 nan 0.000 0.445 414 A N 0.053 122.884 122.820 0.018 0.000 2.119 414 A HA 0.051 4.372 4.320 0.001 0.000 0.217 414 A C 2.237 179.830 177.584 0.015 0.000 1.153 414 A CA 1.738 53.786 52.037 0.019 0.000 0.692 414 A CB -0.690 18.320 19.000 0.016 0.000 0.799 414 A HN 0.980 nan 8.150 nan 0.000 0.458 415 S N -0.869 114.838 115.700 0.011 0.000 2.603 415 S HA 0.289 4.760 4.470 0.001 0.000 0.220 415 S C 0.384 174.990 174.600 0.010 0.000 0.967 415 S CA -0.184 58.020 58.200 0.007 0.000 0.920 415 S CB -0.461 62.740 63.200 0.001 0.000 0.773 415 S HN 0.364 nan 8.310 nan 0.000 0.529 416 I N 2.207 122.786 120.570 0.015 0.000 2.404 416 I HA 0.431 4.601 4.170 0.001 0.000 0.293 416 I C -2.736 173.401 176.117 0.033 0.000 0.992 416 I CA -2.971 58.341 61.300 0.021 0.000 1.149 416 I CB 1.767 39.778 38.000 0.019 0.000 1.315 416 I HN -0.123 nan 8.210 nan 0.000 0.446 417 P HA 0.034 nan 4.420 nan 0.000 0.263 417 P C -0.898 176.438 177.300 0.060 0.000 1.195 417 P CA -0.154 62.972 63.100 0.044 0.000 0.762 417 P CB 0.336 32.061 31.700 0.042 0.000 0.799 418 Q N 1.256 121.093 119.800 0.062 0.000 2.256 418 Q HA 0.245 4.585 4.340 0.001 0.000 0.232 418 Q C 0.494 176.553 176.000 0.097 0.000 0.965 418 Q CA -0.161 55.691 55.803 0.081 0.000 0.908 418 Q CB 0.180 28.963 28.738 0.075 0.000 1.209 418 Q HN 0.467 nan 8.270 nan 0.000 0.489 419 T N -1.169 113.459 114.554 0.124 0.000 2.898 419 T HA 0.328 4.679 4.350 0.001 0.000 0.301 419 T C -2.188 172.601 174.700 0.148 0.000 1.049 419 T CA -1.352 60.840 62.100 0.154 0.000 1.095 419 T CB -0.190 68.789 68.868 0.184 0.000 0.976 419 T HN 0.237 nan 8.240 nan 0.000 0.539 420 P HA 0.162 nan 4.420 nan 0.000 0.267 420 P C 0.800 178.148 177.300 0.081 0.000 1.200 420 P CA -0.249 62.904 63.100 0.088 0.000 0.772 420 P CB 0.259 31.998 31.700 0.066 0.000 0.855 421 T N -0.088 114.448 114.554 -0.031 0.000 2.978 421 T HA -0.023 4.327 4.350 0.001 0.000 0.262 421 T C 0.580 175.194 174.700 -0.143 0.000 1.063 421 T CA 0.823 62.915 62.100 -0.014 0.000 1.140 421 T CB -0.098 68.761 68.868 -0.016 0.000 0.886 421 T HN 0.638 nan 8.240 nan 0.000 0.470 422 Q N -0.679 118.848 119.800 -0.455 0.000 2.522 422 Q HA 0.461 4.802 4.340 0.001 0.000 0.285 422 Q C 0.207 175.688 176.000 -0.867 0.000 0.982 422 Q CA -0.789 54.651 55.803 -0.606 0.000 0.805 422 Q CB 1.032 29.637 28.738 -0.222 0.000 1.457 422 Q HN -0.018 nan 8.270 nan 0.000 0.394 423 L N 2.029 122.869 121.223 -0.638 0.000 2.083 423 L HA -0.182 4.159 4.340 0.001 0.000 0.209 423 L C 2.278 179.050 176.870 -0.163 0.000 1.083 423 L CA 3.059 57.728 54.840 -0.284 0.000 0.752 423 L CB -0.560 41.516 42.059 0.029 0.000 0.899 423 L HN 0.917 nan 8.230 nan 0.000 0.433 424 S N -1.601 114.015 115.700 -0.140 0.000 2.400 424 S HA -0.200 4.271 4.470 0.001 0.000 0.232 424 S C 1.706 176.259 174.600 -0.079 0.000 1.025 424 S CA 1.242 59.391 58.200 -0.086 0.000 0.993 424 S CB -0.762 62.397 63.200 -0.068 0.000 0.808 424 S HN 0.518 nan 8.310 nan 0.000 0.478 425 D N 1.773 122.101 120.400 -0.120 0.000 2.097 425 D HA -0.064 4.577 4.640 0.001 0.000 0.197 425 D C 2.342 178.613 176.300 -0.048 0.000 0.984 425 D CA 1.633 55.582 54.000 -0.085 0.000 0.826 425 D CB -0.662 40.074 40.800 -0.106 0.000 0.973 425 D HN 0.539 nan 8.370 nan 0.000 0.460 426 V N -0.769 119.108 119.914 -0.062 0.000 2.548 426 V HA -0.125 3.995 4.120 0.001 0.000 0.249 426 V C 2.189 178.310 176.094 0.045 0.000 1.055 426 V CA 0.853 63.169 62.300 0.027 0.000 1.065 426 V CB -0.483 31.401 31.823 0.101 0.000 0.681 426 V HN 0.024 nan 8.190 nan 0.000 0.462 427 I N 1.218 121.800 120.570 0.019 0.000 2.252 427 I HA -0.117 4.054 4.170 0.001 0.000 0.245 427 I C 2.403 178.544 176.117 0.041 0.000 1.102 427 I CA 1.718 63.036 61.300 0.030 0.000 1.385 427 I CB -1.320 36.680 38.000 0.001 0.000 1.064 427 I HN 0.331 nan 8.210 nan 0.000 0.414 428 D N 0.556 120.970 120.400 0.024 0.000 2.123 428 D HA -0.213 4.428 4.640 0.001 0.000 0.196 428 D C 2.279 178.612 176.300 0.054 0.000 0.992 428 D CA 1.151 55.170 54.000 0.032 0.000 0.833 428 D CB -0.174 40.633 40.800 0.012 0.000 0.954 428 D HN 0.123 nan 8.370 nan 0.000 0.455 429 R N 0.485 121.018 120.500 0.055 0.000 2.090 429 R HA -0.014 4.326 4.340 0.001 0.000 0.228 429 R C 2.108 178.479 176.300 0.119 0.000 1.110 429 R CA 0.533 56.676 56.100 0.073 0.000 0.973 429 R CB -0.847 29.491 30.300 0.062 0.000 0.869 429 R HN 0.149 nan 8.270 nan 0.000 0.440 430 L N 1.090 122.390 121.223 0.129 0.000 2.012 430 L HA -0.122 4.219 4.340 0.001 0.000 0.210 430 L C 2.162 179.190 176.870 0.263 0.000 1.073 430 L CA 2.248 57.192 54.840 0.173 0.000 0.748 430 L CB -0.677 41.438 42.059 0.094 0.000 0.891 430 L HN 0.421 nan 8.230 nan 0.000 0.431 431 E N -0.723 119.595 120.200 0.197 0.000 2.085 431 E HA -0.261 4.089 4.350 0.001 0.000 0.194 431 E C 2.019 178.754 176.600 0.226 0.000 0.994 431 E CA 1.287 57.823 56.400 0.226 0.000 0.801 431 E CB -0.183 29.594 29.700 0.128 0.000 0.743 431 E HN 0.627 nan 8.360 nan 0.000 0.453 432 A N 0.120 123.020 122.820 0.132 0.000 1.968 432 A HA -0.070 4.251 4.320 0.001 0.000 0.217 432 A C 0.643 178.236 177.584 0.014 0.000 1.169 432 A CA 1.226 53.301 52.037 0.064 0.000 0.638 432 A CB 0.172 19.202 19.000 0.050 0.000 0.812 432 A HN 0.305 nan 8.150 nan 0.000 0.446 433 D N -1.433 119.003 120.400 0.059 0.000 2.386 433 D HA 0.296 4.936 4.640 0.001 0.000 0.247 433 D C -0.332 176.053 176.300 0.141 0.000 1.336 433 D CA -0.426 53.593 54.000 0.032 0.000 0.976 433 D CB 0.413 41.267 40.800 0.090 0.000 1.257 433 D HN 0.440 nan 8.370 nan 0.000 0.570 434 H N 2.096 121.221 119.070 0.091 0.000 2.985 434 H HA 0.249 4.806 4.556 0.001 0.000 0.246 434 H C 0.034 175.277 175.328 -0.141 0.000 1.181 434 H CA -0.369 55.647 56.048 -0.052 0.000 0.972 434 H CB 0.390 30.102 29.762 -0.085 0.000 2.016 434 H HN 0.194 nan 8.280 nan 0.000 0.672 435 E N 1.619 121.789 120.200 -0.051 0.000 2.110 435 E HA -0.163 4.188 4.350 0.001 0.000 0.193 435 E C 1.690 178.277 176.600 -0.021 0.000 0.988 435 E CA 1.412 57.799 56.400 -0.021 0.000 0.804 435 E CB -0.422 29.282 29.700 0.006 0.000 0.745 435 E HN 0.796 nan 8.360 nan 0.000 0.458 436 Y N -0.172 120.068 120.300 -0.100 0.000 2.403 436 Y HA -0.059 4.491 4.550 0.001 0.000 0.291 436 Y C 2.026 177.803 175.900 -0.204 0.000 1.143 436 Y CA 0.727 58.721 58.100 -0.178 0.000 1.257 436 Y CB -0.658 37.559 38.460 -0.406 0.000 0.984 436 Y HN -0.094 nan 8.280 nan 0.000 0.550 437 L N 0.553 121.279 121.223 -0.829 0.000 2.209 437 L HA -0.036 4.305 4.340 0.001 0.000 0.207 437 L C 2.329 179.023 176.870 -0.293 0.000 1.094 437 L CA 1.345 55.735 54.840 -0.749 0.000 0.790 437 L CB -0.498 40.896 42.059 -1.108 0.000 0.932 437 L HN 0.423 nan 8.230 nan 0.000 0.447 438 T N -3.872 110.577 114.554 -0.175 0.000 3.129 438 T HA 0.070 4.420 4.350 0.001 0.000 0.251 438 T C 0.674 175.306 174.700 -0.114 0.000 1.117 438 T CA -0.267 61.793 62.100 -0.068 0.000 1.034 438 T CB -0.236 68.644 68.868 0.021 0.000 0.968 438 T HN 0.032 nan 8.240 nan 0.000 0.526 439 E N 1.702 121.789 120.200 -0.188 0.000 2.480 439 E HA 0.291 4.641 4.350 0.001 0.000 0.258 439 E C 1.422 177.760 176.600 -0.438 0.000 0.984 439 E CA 0.910 57.164 56.400 -0.244 0.000 0.930 439 E CB 0.409 29.958 29.700 -0.251 0.000 0.936 439 E HN 0.570 nan 8.360 nan 0.000 0.466 440 G N 2.985 111.659 108.800 -0.211 0.000 2.175 440 G HA2 -0.337 3.623 3.960 0.001 0.000 0.265 440 G HA3 -0.337 3.623 3.960 0.001 0.000 0.265 440 G C 0.936 175.778 174.900 -0.097 0.000 0.979 440 G CA 0.559 45.595 45.100 -0.107 0.000 0.663 440 G HN 1.200 nan 8.290 nan 0.000 0.533 441 G N -2.219 106.514 108.800 -0.112 0.000 2.153 441 G HA2 -0.170 3.791 3.960 0.001 0.000 0.252 441 G HA3 -0.170 3.791 3.960 0.001 0.000 0.252 441 G C 1.374 176.205 174.900 -0.114 0.000 0.994 441 G CA 1.227 46.276 45.100 -0.085 0.000 0.698 441 G HN 1.477 nan 8.290 nan 0.000 0.521 442 V N -0.858 118.965 119.914 -0.152 0.000 2.233 442 V HA 0.058 4.179 4.120 0.001 0.000 0.247 442 V C 1.565 177.522 176.094 -0.229 0.000 1.050 442 V CA 1.959 64.162 62.300 -0.161 0.000 1.010 442 V CB -0.429 31.315 31.823 -0.131 0.000 0.637 442 V HN 0.364 nan 8.190 nan 0.000 0.444 443 F N 0.131 119.928 119.950 -0.255 0.000 2.422 443 F HA 0.483 5.010 4.527 0.001 0.000 0.333 443 F C 0.685 176.372 175.800 -0.187 0.000 1.095 443 F CA -0.602 57.245 58.000 -0.254 0.000 1.038 443 F CB 1.444 40.255 39.000 -0.316 0.000 1.156 443 F HN 0.032 nan 8.300 nan 0.000 0.483 444 T N -1.412 113.132 114.554 -0.017 0.000 2.952 444 T HA 0.284 4.634 4.350 0.001 0.000 0.286 444 T C 0.767 175.462 174.700 -0.008 0.000 1.024 444 T CA -0.917 61.168 62.100 -0.025 0.000 1.029 444 T CB 1.313 70.141 68.868 -0.067 0.000 1.094 444 T HN 0.393 nan 8.240 nan 0.000 0.515 445 N N 1.588 120.289 118.700 0.001 0.000 2.104 445 N HA -0.149 4.592 4.740 0.001 0.000 0.190 445 N C 1.720 177.230 175.510 0.000 0.000 1.024 445 N CA 1.695 54.746 53.050 0.002 0.000 0.853 445 N CB -0.492 38.023 38.487 0.047 0.000 1.008 445 N HN 0.880 nan 8.380 nan 0.000 0.424 446 D N 0.792 121.191 120.400 -0.000 0.000 2.182 446 D HA -0.175 4.466 4.640 0.001 0.000 0.201 446 D C 2.031 178.341 176.300 0.016 0.000 0.986 446 D CA 0.606 54.609 54.000 0.005 0.000 0.847 446 D CB -0.541 40.248 40.800 -0.018 0.000 0.942 446 D HN 0.297 nan 8.370 nan 0.000 0.467 447 L N 0.256 121.477 121.223 -0.005 0.000 2.005 447 L HA -0.097 4.244 4.340 0.001 0.000 0.207 447 L C 2.760 179.729 176.870 0.165 0.000 1.072 447 L CA 0.871 55.732 54.840 0.036 0.000 0.744 447 L CB -0.224 41.810 42.059 -0.043 0.000 0.895 447 L HN -0.071 nan 8.230 nan 0.000 0.433 448 I N 0.110 120.754 120.570 0.123 0.000 2.163 448 I HA -0.340 3.831 4.170 0.001 0.000 0.243 448 I C 2.420 178.621 176.117 0.140 0.000 1.085 448 I CA 1.592 62.968 61.300 0.126 0.000 1.347 448 I CB -0.354 37.540 38.000 -0.177 0.000 1.044 448 I HN 0.349 nan 8.210 nan 0.000 0.408 449 E N 0.245 120.491 120.200 0.078 0.000 2.077 449 E HA -0.191 4.159 4.350 0.001 0.000 0.193 449 E C 2.149 178.837 176.600 0.148 0.000 0.989 449 E CA 1.923 58.380 56.400 0.096 0.000 0.800 449 E CB -0.125 29.617 29.700 0.071 0.000 0.746 449 E HN 0.457 nan 8.360 nan 0.000 0.452 450 T N 0.562 115.222 114.554 0.177 0.000 2.777 450 T HA -0.178 4.173 4.350 0.001 0.000 0.266 450 T C 1.228 176.105 174.700 0.296 0.000 1.040 450 T CA 0.841 63.068 62.100 0.213 0.000 1.141 450 T CB -0.304 68.681 68.868 0.194 0.000 0.868 450 T HN 0.405 nan 8.240 nan 0.000 0.444 451 W N 1.609 122.989 121.300 0.134 0.000 2.355 451 W HA -0.124 4.537 4.660 0.001 0.000 0.309 451 W C 1.862 178.453 176.519 0.120 0.000 1.206 451 W CA 0.984 58.416 57.345 0.145 0.000 1.284 451 W CB -0.493 29.063 29.460 0.160 0.000 1.145 451 W HN 0.232 nan 8.180 nan 0.000 0.502 452 I N 0.313 121.019 120.570 0.227 0.000 2.179 452 I HA -0.352 3.819 4.170 0.001 0.000 0.242 452 I C 2.801 178.940 176.117 0.036 0.000 1.088 452 I CA 1.677 63.030 61.300 0.088 0.000 1.357 452 I CB -0.898 37.166 38.000 0.107 0.000 1.051 452 I HN -0.160 nan 8.210 nan 0.000 0.409 453 S N 0.144 115.894 115.700 0.082 0.000 2.356 453 S HA -0.212 4.259 4.470 0.001 0.000 0.223 453 S C 1.937 176.562 174.600 0.042 0.000 1.032 453 S CA 1.449 59.687 58.200 0.064 0.000 1.005 453 S CB -0.378 62.881 63.200 0.099 0.000 0.867 453 S HN 0.406 nan 8.310 nan 0.000 0.449 454 F N 2.441 122.352 119.950 -0.065 0.000 2.069 454 F HA -0.120 4.408 4.527 0.001 0.000 0.298 454 F C 2.203 177.895 175.800 -0.180 0.000 1.113 454 F CA 1.528 59.460 58.000 -0.114 0.000 1.214 454 F CB -0.188 38.728 39.000 -0.141 0.000 0.978 454 F HN 0.024 nan 8.300 nan 0.000 0.474 455 K N 0.458 120.778 120.400 -0.133 0.000 2.097 455 K HA -0.131 4.189 4.320 0.001 0.000 0.206 455 K C 2.189 178.671 176.600 -0.197 0.000 1.049 455 K CA 1.414 57.569 56.287 -0.220 0.000 0.933 455 K CB -0.532 31.803 32.500 -0.275 0.000 0.717 455 K HN 0.358 nan 8.250 nan 0.000 0.442 456 R N 0.889 121.303 120.500 -0.143 0.000 2.062 456 R HA -0.102 4.239 4.340 0.001 0.000 0.231 456 R C 2.289 178.506 176.300 -0.138 0.000 1.136 456 R CA 1.501 57.535 56.100 -0.110 0.000 0.948 456 R CB -0.159 30.104 30.300 -0.063 0.000 0.845 456 R HN 0.307 nan 8.270 nan 0.000 0.430 457 E N -0.219 119.880 120.200 -0.169 0.000 2.216 457 E HA -0.073 4.278 4.350 0.001 0.000 0.192 457 E C 1.014 177.463 176.600 -0.252 0.000 0.988 457 E CA 0.940 57.237 56.400 -0.173 0.000 0.834 457 E CB 0.139 29.757 29.700 -0.137 0.000 0.772 457 E HN 0.374 nan 8.360 nan 0.000 0.479 458 N N -0.822 117.625 118.700 -0.421 0.000 2.227 458 N HA 0.068 4.808 4.740 0.001 0.000 0.196 458 N C 0.861 176.155 175.510 -0.360 0.000 1.142 458 N CA 0.157 52.906 53.050 -0.502 0.000 0.887 458 N CB 0.741 38.621 38.487 -1.012 0.000 1.022 458 N HN 0.017 nan 8.380 nan 0.000 0.500 459 E N -0.098 119.932 120.200 -0.283 0.000 3.100 459 E HA 0.231 4.582 4.350 0.001 0.000 0.191 459 E C 1.226 177.758 176.600 -0.113 0.000 1.097 459 E CA -0.084 56.213 56.400 -0.171 0.000 1.339 459 E CB 0.385 30.000 29.700 -0.142 0.000 1.330 459 E HN 0.038 nan 8.360 nan 0.000 0.511 460 I N 2.069 122.575 120.570 -0.107 0.000 2.142 460 I HA -0.269 3.902 4.170 0.001 0.000 0.240 460 I C 2.661 178.741 176.117 -0.061 0.000 1.078 460 I CA 1.546 62.803 61.300 -0.071 0.000 1.343 460 I CB -0.125 37.835 38.000 -0.068 0.000 1.046 460 I HN 0.165 nan 8.210 nan 0.000 0.405 461 E N 1.013 121.170 120.200 -0.073 0.000 2.051 461 E HA -0.192 4.159 4.350 0.001 0.000 0.192 461 E C -0.543 176.027 176.600 -0.049 0.000 0.991 461 E CA 1.378 57.745 56.400 -0.056 0.000 0.799 461 E CB -0.680 28.983 29.700 -0.061 0.000 0.748 461 E HN 0.271 nan 8.360 nan 0.000 0.449 462 P HA -0.164 nan 4.420 nan 0.000 0.216 462 P C 1.293 178.571 177.300 -0.037 0.000 1.150 462 P CA 1.082 64.149 63.100 -0.054 0.000 0.843 462 P CB 0.098 31.750 31.700 -0.079 0.000 0.787 463 V N -0.317 119.574 119.914 -0.038 0.000 2.407 463 V HA -0.170 3.950 4.120 0.001 0.000 0.245 463 V C 2.069 178.168 176.094 0.007 0.000 1.041 463 V CA 1.762 64.051 62.300 -0.018 0.000 1.040 463 V CB -1.212 30.599 31.823 -0.020 0.000 0.671 463 V HN 0.081 nan 8.190 nan 0.000 0.455 464 N N 0.840 119.539 118.700 -0.001 0.000 2.205 464 N HA -0.143 4.598 4.740 0.001 0.000 0.186 464 N C 1.713 177.234 175.510 0.018 0.000 1.015 464 N CA 1.968 55.023 53.050 0.009 0.000 0.862 464 N CB -0.390 38.093 38.487 -0.006 0.000 0.986 464 N HN 0.741 nan 8.380 nan 0.000 0.429 465 I N -2.414 118.162 120.570 0.011 0.000 3.059 465 I HA 0.101 4.272 4.170 0.001 0.000 0.270 465 I C 0.103 176.243 176.117 0.038 0.000 1.238 465 I CA 0.245 61.555 61.300 0.018 0.000 1.478 465 I CB 0.066 38.070 38.000 0.006 0.000 1.097 465 I HN -0.191 nan 8.210 nan 0.000 0.455 466 R N 2.688 123.215 120.500 0.044 0.000 2.221 466 R HA 0.425 4.766 4.340 0.001 0.000 0.327 466 R C -2.286 174.082 176.300 0.113 0.000 1.033 466 R CA -1.784 54.356 56.100 0.066 0.000 0.887 466 R CB 0.358 30.682 30.300 0.040 0.000 1.057 466 R HN 0.064 nan 8.270 nan 0.000 0.455 467 P HA -0.102 nan 4.420 nan 0.000 0.265 467 P C -0.761 176.717 177.300 0.298 0.000 1.193 467 P CA 0.272 63.527 63.100 0.258 0.000 0.765 467 P CB 0.438 32.365 31.700 0.379 0.000 0.823 468 H N 4.814 124.021 119.070 0.228 0.000 2.525 468 H HA 0.137 4.694 4.556 0.001 0.000 0.339 468 H C -1.613 173.907 175.328 0.321 0.000 1.109 468 H CA -1.931 54.243 56.048 0.209 0.000 1.352 468 H CB 1.121 30.979 29.762 0.161 0.000 1.461 468 H HN 0.242 nan 8.280 nan 0.000 0.533 469 P HA -0.171 nan 4.420 nan 0.000 0.216 469 P C 1.080 178.664 177.300 0.473 0.000 1.150 469 P CA 1.109 64.396 63.100 0.312 0.000 0.837 469 P CB -0.106 31.655 31.700 0.102 0.000 0.786 470 Y N 0.897 121.481 120.300 0.473 0.000 2.421 470 Y HA -0.133 4.418 4.550 0.001 0.000 0.292 470 Y C 1.977 177.911 175.900 0.056 0.000 1.136 470 Y CA 1.241 59.449 58.100 0.180 0.000 1.255 470 Y CB -0.528 37.932 38.460 0.000 0.000 0.991 470 Y HN 0.043 nan 8.280 nan 0.000 0.552 471 E N -1.042 119.272 120.200 0.190 0.000 2.204 471 E HA -0.207 4.144 4.350 0.001 0.000 0.195 471 E C 1.701 178.233 176.600 -0.113 0.000 0.990 471 E CA 1.283 57.695 56.400 0.020 0.000 0.821 471 E CB -0.310 29.507 29.700 0.195 0.000 0.750 471 E HN 0.490 nan 8.360 nan 0.000 0.477 472 F N 0.634 120.596 119.950 0.020 0.000 2.163 472 F HA -0.061 4.467 4.527 0.001 0.000 0.297 472 F C 2.465 178.216 175.800 -0.082 0.000 1.094 472 F CA 0.708 58.733 58.000 0.041 0.000 1.290 472 F CB -0.339 38.697 39.000 0.061 0.000 1.017 472 F HN 0.002 nan 8.300 nan 0.000 0.483 473 A N 0.372 123.148 122.820 -0.073 0.000 1.917 473 A HA -0.173 4.148 4.320 0.001 0.000 0.219 473 A C 2.165 179.500 177.584 -0.414 0.000 1.182 473 A CA 1.691 53.546 52.037 -0.303 0.000 0.633 473 A CB -1.057 17.580 19.000 -0.604 0.000 0.819 473 A HN 0.420 nan 8.150 nan 0.000 0.448 474 L N -3.108 117.737 121.223 -0.630 0.000 2.162 474 L HA -0.036 4.304 4.340 0.001 0.000 0.205 474 L C 1.760 178.304 176.870 -0.543 0.000 1.086 474 L CA 0.918 55.293 54.840 -0.774 0.000 0.778 474 L CB -0.132 41.118 42.059 -1.349 0.000 0.928 474 L HN 0.506 nan 8.230 nan 0.000 0.446 475 Y N -3.939 116.298 120.300 -0.104 0.000 2.471 475 Y HA 0.077 4.628 4.550 0.001 0.000 0.249 475 Y C 1.788 177.637 175.900 -0.085 0.000 1.116 475 Y CA -1.309 56.725 58.100 -0.109 0.000 1.240 475 Y CB -0.595 37.765 38.460 -0.166 0.000 1.251 475 Y HN -0.037 nan 8.280 nan 0.000 0.527 476 Y N 2.685 122.978 120.300 -0.010 0.000 2.193 476 Y HA -0.245 4.305 4.550 0.001 0.000 0.285 476 Y C 1.580 177.491 175.900 0.018 0.000 1.166 476 Y CA 2.189 60.294 58.100 0.008 0.000 1.181 476 Y CB 0.060 38.564 38.460 0.074 0.000 0.976 476 Y HN 0.236 nan 8.280 nan 0.000 0.520 477 D N -0.161 120.294 120.400 0.093 0.000 2.388 477 D HA 0.049 4.689 4.640 0.001 0.000 0.221 477 D C 0.631 176.929 176.300 -0.003 0.000 1.133 477 D CA 0.464 54.488 54.000 0.040 0.000 0.831 477 D CB -1.320 39.546 40.800 0.109 0.000 0.962 477 D HN 0.215 nan 8.370 nan 0.000 0.502 478 V N 0.000 119.907 119.914 -0.011 0.000 2.409 478 V HA 0.000 4.121 4.120 0.001 0.000 0.244 478 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 478 V CB 0.000 31.812 31.823 -0.018 0.000 1.184 478 V HN 0.000 nan 8.190 nan 0.000 0.556