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 3kf5_1_A DATA FIRST_RESID 24 DATA SEQUENCE SIDLSVDTSE YNRPLIHFTP EKGWMNDPNG LFYDKTAKLW HLYFQYNPNA DATA SEQUENCE TAWGQPLYWG HATSNDLVHW DEHEIAIGPE HDNEGIFSGS IVVDHNNTSG DATA SEQUENCE FFNSSIDPNQ RIVAIYTNNI PDNQTQDIAF SLDGGYTFTK YENNPVIDVS DATA SEQUENCE SNQFRDPKVF WHEDSNQWIM VVSKSQEYKI QIFGSANLKN WVLNSNFSSG DATA SEQUENCE YYGNQYECPG LIEVPIENSD KSKWVMFLAI NPGSPLGGSI NQYFVGDFDG DATA SEQUENCE FQFVPDDSQT RFVDIGKDFY AFQTFSEVEH GVLGLAWASN WQYADQVPTN DATA SEQUENCE PWRSSTSLAR NYTLRYVHTN AETKQLTLIQ NPVLPDSINV VDKLKKKNVK DATA SEQUENCE LTNKKPIKTN FKGSTGLFDF NITFKVLNLN VSPGKTHFDI LINSQELNSS DATA SEQUENCE VDSIKIGFDS SQSSFYIDRH IPNVEFPRKQ FFTDKLAAYL EPLDYDQDLR DATA SEQUENCE VFSLYGIVDK NIIELYFNDG TVAMTNTFFM GEGKYPHDIQ IVTDTEEPLF DATA SEQUENCE ELESVIIREL NK 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 24 S HA 0.000 nan 4.470 nan 0.000 0.327 24 S C 0.000 174.599 174.600 -0.002 0.000 1.055 24 S CA 0.000 58.200 58.200 0.001 0.000 1.107 24 S CB 0.000 63.207 63.200 0.012 0.000 0.593 25 I N -2.715 117.849 120.570 -0.010 0.000 4.670 25 I HA 0.400 4.566 4.170 -0.008 0.000 0.339 25 I C 1.117 177.236 176.117 0.004 0.000 1.310 25 I CA -0.227 61.071 61.300 -0.004 0.000 1.288 25 I CB -0.258 37.733 38.000 -0.015 0.000 1.427 25 I HN 0.408 nan 8.210 nan 0.000 0.494 26 D N 2.324 122.725 120.400 0.002 0.000 2.133 26 D HA -0.226 4.409 4.640 -0.008 0.000 0.456 26 D C 0.969 177.282 176.300 0.021 0.000 1.394 26 D CA 3.140 57.147 54.000 0.010 0.000 1.368 26 D CB -0.043 40.764 40.800 0.012 0.000 2.045 26 D HN 0.194 nan 8.370 nan 0.000 0.641 27 L N -2.282 118.954 121.223 0.022 0.000 7.603 27 L HA -0.315 4.021 4.340 -0.008 0.000 0.092 27 L C 1.188 178.077 176.870 0.032 0.000 1.252 27 L CA 1.619 56.475 54.840 0.026 0.000 1.482 27 L CB -1.384 40.692 42.059 0.028 0.000 2.830 27 L HN 0.417 nan 8.230 nan 0.000 1.159 28 S N -1.241 114.480 115.700 0.036 0.000 2.537 28 S HA 0.470 4.935 4.470 -0.008 0.000 0.246 28 S C -0.083 174.548 174.600 0.051 0.000 1.036 28 S CA -0.409 57.816 58.200 0.042 0.000 1.041 28 S CB -0.003 63.221 63.200 0.039 0.000 0.799 28 S HN 0.416 nan 8.310 nan 0.000 0.456 29 V N 2.922 122.868 119.914 0.053 0.000 2.485 29 V HA 0.175 4.290 4.120 -0.008 0.000 0.287 29 V C 0.022 176.165 176.094 0.081 0.000 1.022 29 V CA 0.198 62.539 62.300 0.070 0.000 1.067 29 V CB 0.739 32.605 31.823 0.073 0.000 0.967 29 V HN 0.572 nan 8.190 nan 0.000 0.479 30 D N 3.928 124.384 120.400 0.095 0.000 2.392 30 D HA 0.192 4.827 4.640 -0.008 0.000 0.228 30 D C 1.036 177.404 176.300 0.113 0.000 1.074 30 D CA -0.122 53.941 54.000 0.104 0.000 0.838 30 D CB 1.938 42.787 40.800 0.082 0.000 1.067 30 D HN 0.646 nan 8.370 nan 0.000 0.511 31 T N 0.034 114.643 114.554 0.092 0.000 3.129 31 T HA -0.009 4.337 4.350 -0.008 0.000 0.251 31 T C 1.645 176.224 174.700 -0.202 0.000 1.117 31 T CA 0.225 62.261 62.100 -0.107 0.000 1.034 31 T CB -0.002 68.703 68.868 -0.273 0.000 0.968 31 T HN 0.160 nan 8.240 nan 0.000 0.526 32 S N 2.032 117.741 115.700 0.015 0.000 2.380 32 S HA -0.212 4.254 4.470 -0.008 0.000 0.229 32 S C 1.872 176.393 174.600 -0.132 0.000 1.043 32 S CA 1.783 59.921 58.200 -0.104 0.000 1.038 32 S CB -0.521 62.574 63.200 -0.175 0.000 0.872 32 S HN 0.677 nan 8.310 nan 0.000 0.456 33 E N 0.757 120.936 120.200 -0.035 0.000 2.187 33 E HA -0.205 4.140 4.350 -0.008 0.000 0.199 33 E C 1.572 178.193 176.600 0.036 0.000 1.004 33 E CA 1.782 58.199 56.400 0.028 0.000 0.813 33 E CB -0.184 29.619 29.700 0.171 0.000 0.736 33 E HN 0.928 nan 8.360 nan 0.000 0.468 34 Y N -3.824 116.509 120.300 0.054 0.000 2.432 34 Y HA 0.507 5.053 4.550 -0.008 0.000 0.252 34 Y C 1.396 177.374 175.900 0.130 0.000 1.097 34 Y CA -0.330 57.858 58.100 0.146 0.000 1.250 34 Y CB 0.008 38.673 38.460 0.341 0.000 1.245 34 Y HN -0.131 nan 8.280 nan 0.000 0.522 35 N N 0.935 119.438 118.700 -0.328 0.000 2.510 35 N HA 0.081 4.816 4.740 -0.008 0.000 0.186 35 N C 0.105 175.651 175.510 0.061 0.000 1.051 35 N CA 0.138 53.101 53.050 -0.145 0.000 0.877 35 N CB 0.156 38.527 38.487 -0.192 0.000 1.183 35 N HN 0.169 nan 8.380 nan 0.000 0.443 36 R N 2.353 122.844 120.500 -0.015 0.000 2.351 36 R HA 0.191 4.527 4.340 -0.008 0.000 0.318 36 R C -2.492 173.680 176.300 -0.213 0.000 1.055 36 R CA -1.225 54.718 56.100 -0.262 0.000 0.968 36 R CB 0.368 30.291 30.300 -0.628 0.000 0.974 36 R HN -0.016 nan 8.270 nan 0.000 0.439 37 P HA -0.072 nan 4.420 nan 0.000 0.268 37 P C -0.064 177.159 177.300 -0.129 0.000 1.208 37 P CA 0.149 63.180 63.100 -0.115 0.000 0.777 37 P CB 0.578 32.225 31.700 -0.089 0.000 0.875 38 L N 1.956 123.143 121.223 -0.061 0.000 2.357 38 L HA 0.163 4.498 4.340 -0.008 0.000 0.211 38 L C 1.735 178.574 176.870 -0.051 0.000 1.075 38 L CA 0.941 55.732 54.840 -0.082 0.000 0.830 38 L CB -0.217 41.786 42.059 -0.093 0.000 0.996 38 L HN 0.404 nan 8.230 nan 0.000 0.467 39 I N -4.819 115.757 120.570 0.010 0.000 4.240 39 I HA 0.229 4.395 4.170 -0.008 0.000 0.331 39 I C 0.053 176.175 176.117 0.009 0.000 1.381 39 I CA -0.441 60.837 61.300 -0.037 0.000 1.136 39 I CB 0.101 38.023 38.000 -0.129 0.000 1.137 39 I HN -0.026 nan 8.210 nan 0.000 0.411 40 H N 1.452 120.529 119.070 0.012 0.000 2.502 40 H HA 0.374 4.925 4.556 -0.007 0.000 0.327 40 H C -0.723 174.565 175.328 -0.067 0.000 1.099 40 H CA -0.530 55.528 56.048 0.016 0.000 1.323 40 H CB 0.914 30.663 29.762 -0.021 0.000 1.450 40 H HN 0.207 nan 8.280 nan 0.000 0.502 41 F N 2.111 121.925 119.950 -0.226 0.000 2.518 41 F HA 0.294 4.816 4.527 -0.008 0.000 0.359 41 F C 0.038 175.589 175.800 -0.415 0.000 1.118 41 F CA 0.477 58.158 58.000 -0.533 0.000 1.287 41 F CB 0.655 38.921 39.000 -1.223 0.000 1.132 41 F HN 0.373 nan 8.300 nan 0.000 0.587 42 T N 7.303 120.795 114.554 -1.770 0.000 2.993 42 T HA 0.362 4.708 4.350 -0.008 0.000 0.312 42 T C -2.804 170.888 174.700 -1.680 0.000 1.115 42 T CA -1.178 60.083 62.100 -1.398 0.000 1.027 42 T CB 1.878 70.159 68.868 -0.977 0.000 1.116 42 T HN 0.401 nan 8.240 nan 0.000 0.464 43 P HA 0.314 nan 4.420 nan 0.000 0.274 43 P C 0.608 177.696 177.300 -0.353 0.000 1.231 43 P CA -0.182 62.573 63.100 -0.576 0.000 0.790 43 P CB 1.213 32.752 31.700 -0.270 0.000 0.951 44 E N 2.048 122.132 120.200 -0.193 0.000 2.033 44 E HA -0.190 4.155 4.350 -0.008 0.000 0.199 44 E C 0.598 177.198 176.600 0.001 0.000 1.011 44 E CA 1.776 58.105 56.400 -0.118 0.000 0.815 44 E CB 0.008 29.689 29.700 -0.031 0.000 0.755 44 E HN 0.524 nan 8.360 nan 0.000 0.451 45 K N -1.722 118.753 120.400 0.125 0.000 2.435 45 K HA 0.612 4.928 4.320 -0.008 0.000 0.251 45 K C -0.032 176.771 176.600 0.337 0.000 0.954 45 K CA -0.562 55.853 56.287 0.213 0.000 0.820 45 K CB 2.281 34.882 32.500 0.169 0.000 1.292 45 K HN 0.229 nan 8.250 nan 0.000 0.436 46 G N 1.111 110.104 108.800 0.322 0.000 2.582 46 G HA2 -0.189 3.767 3.960 -0.008 0.000 0.222 46 G HA3 -0.189 3.767 3.960 -0.008 0.000 0.222 46 G C -1.731 173.428 174.900 0.432 0.000 1.311 46 G CA -0.348 44.967 45.100 0.358 0.000 0.915 46 G HN 0.836 nan 8.290 nan 0.000 0.528 47 W N 1.186 122.638 121.300 0.252 0.000 2.551 47 W HA 0.759 5.415 4.660 -0.007 0.000 0.330 47 W C -0.499 176.210 176.519 0.317 0.000 1.063 47 W CA -0.930 56.542 57.345 0.213 0.000 1.222 47 W CB 1.446 30.984 29.460 0.130 0.000 1.349 47 W HN 0.867 nan 8.180 nan 0.000 0.536 48 M N 7.300 126.445 119.600 -0.759 0.000 2.464 48 M HA 0.247 4.723 4.480 -0.008 0.000 0.308 48 M C -0.579 174.893 176.300 -1.380 0.000 1.127 48 M CA -0.343 54.562 55.300 -0.658 0.000 0.913 48 M CB 1.744 34.084 32.600 -0.433 0.000 1.689 48 M HN 0.649 nan 8.290 nan 0.000 0.445 49 N N 1.374 119.482 118.700 -0.987 0.000 2.342 49 N HA 0.263 4.999 4.740 -0.008 0.000 0.128 49 N C -1.189 173.733 175.510 -0.980 0.000 1.745 49 N CA -0.444 51.550 53.050 -1.760 0.000 1.221 49 N CB -0.413 37.095 38.487 -1.632 0.000 1.349 49 N HN 0.500 nan 8.380 nan 0.000 0.294 50 D N 3.461 123.544 120.400 -0.529 0.000 2.583 50 D HA 0.134 4.769 4.640 -0.008 0.000 0.232 50 D C -2.048 174.149 176.300 -0.171 0.000 1.128 50 D CA -0.122 53.756 54.000 -0.203 0.000 0.859 50 D CB -0.068 40.677 40.800 -0.090 0.000 1.169 50 D HN 0.273 nan 8.370 nan 0.000 0.481 51 P HA 0.126 nan 4.420 nan 0.000 0.271 51 P C -0.540 176.594 177.300 -0.275 0.000 1.218 51 P CA -0.370 62.617 63.100 -0.189 0.000 0.780 51 P CB 0.877 32.438 31.700 -0.231 0.000 0.901 52 N N 0.307 118.787 118.700 -0.366 0.000 2.321 52 N HA 0.367 5.102 4.740 -0.008 0.000 0.290 52 N C 0.456 175.668 175.510 -0.496 0.000 1.212 52 N CA -0.187 52.487 53.050 -0.626 0.000 0.767 52 N CB 1.413 39.040 38.487 -1.433 0.000 1.494 52 N HN 0.603 nan 8.380 nan 0.000 0.479 53 G N 0.701 109.247 108.800 -0.422 0.000 2.422 53 G HA2 -0.263 3.693 3.960 -0.008 0.000 0.301 53 G HA3 -0.263 3.693 3.960 -0.008 0.000 0.301 53 G C -0.170 174.905 174.900 0.291 0.000 0.981 53 G CA 0.276 45.339 45.100 -0.062 0.000 0.994 53 G HN 0.464 nan 8.290 nan 0.000 0.514 54 L N -0.129 121.150 121.223 0.093 0.000 2.500 54 L HA 0.531 4.867 4.340 -0.008 0.000 0.272 54 L C 0.750 177.908 176.870 0.480 0.000 1.149 54 L CA -0.253 54.620 54.840 0.054 0.000 0.897 54 L CB -0.074 41.513 42.059 -0.787 0.000 1.178 54 L HN 0.393 nan 8.230 nan 0.000 0.473 55 F N 2.743 123.032 119.950 0.566 0.000 2.662 55 F HA 0.547 5.070 4.527 -0.007 0.000 0.312 55 F C -1.296 174.887 175.800 0.638 0.000 1.113 55 F CA -1.344 56.991 58.000 0.558 0.000 0.951 55 F CB 1.314 40.502 39.000 0.312 0.000 1.344 55 F HN 0.165 nan 8.300 nan 0.000 0.462 56 Y N 1.969 122.410 120.300 0.235 0.000 2.342 56 Y HA 0.415 4.959 4.550 -0.009 0.000 0.334 56 Y C -0.825 175.030 175.900 -0.075 0.000 1.067 56 Y CA -0.830 57.130 58.100 -0.233 0.000 1.128 56 Y CB 1.116 39.256 38.460 -0.534 0.000 1.200 56 Y HN 0.752 nan 8.280 nan 0.000 0.464 57 D N 5.228 125.143 120.400 -0.809 0.000 2.373 57 D HA 0.186 4.822 4.640 -0.008 0.000 0.227 57 D C 0.190 175.994 176.300 -0.827 0.000 1.091 57 D CA -0.103 53.611 54.000 -0.476 0.000 0.840 57 D CB 1.380 42.036 40.800 -0.240 0.000 1.060 57 D HN 0.746 nan 8.370 nan 0.000 0.502 58 K N 1.090 121.262 120.400 -0.379 0.000 2.025 58 K HA -0.096 4.220 4.320 -0.008 0.000 0.207 58 K C 1.945 178.460 176.600 -0.140 0.000 1.049 58 K CA 1.727 57.897 56.287 -0.194 0.000 0.933 58 K CB 0.134 32.670 32.500 0.060 0.000 0.714 58 K HN 0.513 nan 8.250 nan 0.000 0.438 59 T N -1.044 113.461 114.554 -0.082 0.000 2.904 59 T HA 0.001 4.347 4.350 -0.008 0.000 0.267 59 T C 1.952 176.614 174.700 -0.063 0.000 1.059 59 T CA 0.945 63.020 62.100 -0.041 0.000 1.137 59 T CB -0.119 68.749 68.868 0.000 0.000 0.879 59 T HN 0.133 nan 8.240 nan 0.000 0.467 60 A N 0.621 123.379 122.820 -0.102 0.000 2.251 60 A HA 0.402 4.717 4.320 -0.008 0.000 0.209 60 A C 0.946 178.437 177.584 -0.156 0.000 1.187 60 A CA 0.018 52.004 52.037 -0.084 0.000 0.823 60 A CB -0.467 18.524 19.000 -0.015 0.000 0.846 60 A HN 0.353 nan 8.150 nan 0.000 0.486 61 K N -1.897 118.340 120.400 -0.272 0.000 3.278 61 K HA -0.156 4.160 4.320 -0.008 0.000 0.270 61 K C -1.110 175.292 176.600 -0.330 0.000 0.955 61 K CA 0.522 56.642 56.287 -0.279 0.000 0.723 61 K CB -1.724 30.736 32.500 -0.066 0.000 1.382 61 K HN 0.390 nan 8.250 nan 0.000 0.461 62 L N 0.302 121.149 121.223 -0.627 0.000 2.470 62 L HA 0.507 4.842 4.340 -0.008 0.000 0.268 62 L C -1.058 175.560 176.870 -0.420 0.000 0.964 62 L CA -0.357 54.261 54.840 -0.370 0.000 0.839 62 L CB 1.098 43.060 42.059 -0.161 0.000 1.276 62 L HN 0.287 nan 8.230 nan 0.000 0.403 63 W N 3.183 124.444 121.300 -0.066 0.000 2.272 63 W HA 0.467 5.121 4.660 -0.009 0.000 0.318 63 W C -0.132 176.379 176.519 -0.013 0.000 1.255 63 W CA 0.040 57.389 57.345 0.007 0.000 1.200 63 W CB 0.572 29.964 29.460 -0.113 0.000 1.170 63 W HN 0.445 nan 8.180 nan 0.000 0.549 64 H N 2.682 121.860 119.070 0.180 0.000 2.466 64 H HA 0.509 5.060 4.556 -0.008 0.000 0.338 64 H C -0.968 174.541 175.328 0.302 0.000 1.091 64 H CA -0.857 55.243 56.048 0.087 0.000 1.207 64 H CB 1.495 31.070 29.762 -0.311 0.000 1.466 64 H HN 0.266 nan 8.280 nan 0.000 0.493 65 L N 4.489 125.818 121.223 0.176 0.000 2.349 65 L HA 0.445 4.780 4.340 -0.008 0.000 0.278 65 L C -1.781 174.979 176.870 -0.184 0.000 0.996 65 L CA -0.472 54.360 54.840 -0.015 0.000 0.825 65 L CB 0.257 42.098 42.059 -0.363 0.000 1.243 65 L HN 0.525 nan 8.230 nan 0.000 0.412 66 Y N 4.824 125.103 120.300 -0.035 0.000 2.621 66 Y HA 0.828 5.374 4.550 -0.007 0.000 0.334 66 Y C -0.489 175.232 175.900 -0.299 0.000 1.074 66 Y CA -0.601 57.335 58.100 -0.274 0.000 1.149 66 Y CB 1.806 39.958 38.460 -0.514 0.000 1.302 66 Y HN 0.553 nan 8.280 nan 0.000 0.501 67 F N -2.230 117.541 119.950 -0.299 0.000 2.725 67 F HA 0.350 4.872 4.527 -0.008 0.000 0.309 67 F C -1.500 174.210 175.800 -0.150 0.000 1.132 67 F CA -1.620 56.199 58.000 -0.301 0.000 0.957 67 F CB 0.886 39.755 39.000 -0.218 0.000 1.286 67 F HN 0.196 nan 8.300 nan 0.000 0.440 68 Q N 2.277 122.113 119.800 0.060 0.000 2.239 68 Q HA 0.047 4.382 4.340 -0.008 0.000 0.286 68 Q C -1.511 174.728 176.000 0.399 0.000 1.102 68 Q CA 0.689 56.610 55.803 0.197 0.000 0.936 68 Q CB 0.330 29.159 28.738 0.151 0.000 1.127 68 Q HN 0.686 nan 8.270 nan 0.000 0.380 69 Y N 3.266 123.716 120.300 0.250 0.000 2.373 69 Y HA 0.329 4.875 4.550 -0.007 0.000 0.336 69 Y C -1.124 174.973 175.900 0.328 0.000 0.979 69 Y CA -1.953 56.341 58.100 0.323 0.000 1.080 69 Y CB 1.339 39.932 38.460 0.221 0.000 1.190 69 Y HN 0.527 nan 8.280 nan 0.000 0.446 70 N N 7.812 126.591 118.700 0.132 0.000 2.479 70 N HA 0.478 5.214 4.740 -0.008 0.000 0.261 70 N C -2.627 172.695 175.510 -0.314 0.000 0.979 70 N CA -2.537 50.452 53.050 -0.102 0.000 0.930 70 N CB 2.269 40.735 38.487 -0.035 0.000 1.172 70 N HN 0.281 nan 8.380 nan 0.000 0.499 71 P HA 0.108 nan 4.420 nan 0.000 0.230 71 P C 0.341 177.588 177.300 -0.088 0.000 1.168 71 P CA 0.618 63.456 63.100 -0.436 0.000 0.793 71 P CB 0.460 31.877 31.700 -0.473 0.000 0.851 72 N N -0.590 118.069 118.700 -0.069 0.000 2.422 72 N HA 0.141 4.876 4.740 -0.008 0.000 0.181 72 N C 0.694 176.209 175.510 0.007 0.000 1.080 72 N CA 0.422 53.462 53.050 -0.017 0.000 0.893 72 N CB 0.381 38.859 38.487 -0.015 0.000 0.973 72 N HN 0.102 nan 8.380 nan 0.000 0.456 73 A N -0.892 121.942 122.820 0.022 0.000 2.593 73 A HA 0.478 4.793 4.320 -0.008 0.000 0.290 73 A C 0.025 177.676 177.584 0.111 0.000 1.126 73 A CA -0.427 51.633 52.037 0.039 0.000 0.695 73 A CB 0.960 19.956 19.000 -0.008 0.000 1.290 73 A HN -0.065 nan 8.150 nan 0.000 0.414 74 T N 0.030 114.647 114.554 0.106 0.000 3.264 74 T HA 0.578 4.924 4.350 -0.008 0.000 0.257 74 T C 0.022 174.839 174.700 0.196 0.000 0.976 74 T CA 0.928 63.134 62.100 0.176 0.000 0.908 74 T CB -1.272 67.655 68.868 0.098 0.000 1.082 74 T HN 1.580 nan 8.240 nan 0.000 0.567 75 A N 0.022 122.872 122.820 0.050 0.000 2.588 75 A HA 0.607 4.922 4.320 -0.008 0.000 0.290 75 A C -1.729 175.392 177.584 -0.772 0.000 1.136 75 A CA -1.030 50.785 52.037 -0.369 0.000 0.681 75 A CB 0.295 19.166 19.000 -0.215 0.000 1.282 75 A HN 0.498 nan 8.150 nan 0.000 0.421 76 W N 0.938 121.438 121.300 -1.333 0.000 2.264 76 W HA 0.466 5.121 4.660 -0.008 0.000 0.331 76 W C 0.473 176.802 176.519 -0.316 0.000 1.364 76 W CA 1.748 58.569 57.345 -0.875 0.000 1.253 76 W CB 0.586 29.794 29.460 -0.420 0.000 1.215 76 W HN 0.906 nan 8.180 nan 0.000 0.561 77 G N 4.421 112.651 108.800 -0.950 0.000 2.566 77 G HA2 0.223 4.179 3.960 -0.008 0.000 0.311 77 G HA3 0.223 4.179 3.960 -0.008 0.000 0.311 77 G C -0.138 174.243 174.900 -0.864 0.000 1.322 77 G CA -0.520 44.185 45.100 -0.658 0.000 0.969 77 G HN 0.633 nan 8.290 nan 0.000 0.490 78 Q N 0.702 120.206 119.800 -0.494 0.000 2.014 78 Q HA -0.083 4.252 4.340 -0.008 0.000 0.207 78 Q C -1.398 174.424 176.000 -0.298 0.000 0.993 78 Q CA 1.401 56.999 55.803 -0.342 0.000 0.850 78 Q CB -0.745 27.917 28.738 -0.128 0.000 0.916 78 Q HN 0.403 nan 8.270 nan 0.000 0.417 79 P HA 0.136 nan 4.420 nan 0.000 0.284 79 P C -1.273 175.724 177.300 -0.506 0.000 1.343 79 P CA 0.091 63.001 63.100 -0.318 0.000 0.826 79 P CB 0.553 32.136 31.700 -0.194 0.000 0.956 80 L N 5.734 126.639 121.223 -0.530 0.000 2.341 80 L HA 0.546 4.882 4.340 -0.008 0.000 0.278 80 L C -1.059 175.596 176.870 -0.358 0.000 1.005 80 L CA -0.689 53.930 54.840 -0.368 0.000 0.818 80 L CB 0.909 42.868 42.059 -0.167 0.000 1.259 80 L HN 0.216 nan 8.230 nan 0.000 0.418 81 Y N 1.857 122.202 120.300 0.074 0.000 2.630 81 Y HA 0.460 5.005 4.550 -0.007 0.000 0.337 81 Y C -1.032 175.039 175.900 0.284 0.000 1.051 81 Y CA -0.403 57.771 58.100 0.125 0.000 1.121 81 Y CB 1.143 39.657 38.460 0.090 0.000 1.299 81 Y HN 0.452 nan 8.280 nan 0.000 0.498 82 W N 1.867 123.222 121.300 0.091 0.000 2.342 82 W HA 0.547 5.202 4.660 -0.008 0.000 0.310 82 W C 0.478 176.942 176.519 -0.092 0.000 1.128 82 W CA -1.149 56.165 57.345 -0.051 0.000 1.322 82 W CB 0.731 30.091 29.460 -0.168 0.000 1.251 82 W HN 0.605 nan 8.180 nan 0.000 0.439 83 G N 1.891 110.450 108.800 -0.400 0.000 2.651 83 G HA2 0.249 4.205 3.960 -0.008 0.000 0.260 83 G HA3 0.249 4.205 3.960 -0.008 0.000 0.260 83 G C -1.245 173.228 174.900 -0.711 0.000 1.216 83 G CA -0.280 44.256 45.100 -0.939 0.000 0.913 83 G HN 0.602 nan 8.290 nan 0.000 0.535 84 H N -0.920 117.871 119.070 -0.465 0.000 3.042 84 H HA 0.528 5.080 4.556 -0.008 0.000 0.345 84 H C -1.011 174.293 175.328 -0.041 0.000 1.052 84 H CA -0.501 55.389 56.048 -0.263 0.000 1.311 84 H CB 1.601 31.321 29.762 -0.070 0.000 1.810 84 H HN 0.784 nan 8.280 nan 0.000 0.505 85 A N 3.210 125.817 122.820 -0.356 0.000 2.454 85 A HA 0.660 4.976 4.320 -0.008 0.000 0.302 85 A C -0.540 176.916 177.584 -0.213 0.000 1.079 85 A CA -0.422 51.434 52.037 -0.302 0.000 0.731 85 A CB 1.848 20.521 19.000 -0.544 0.000 1.299 85 A HN 0.669 nan 8.150 nan 0.000 0.413 86 T N -1.589 112.974 114.554 0.016 0.000 2.916 86 T HA 0.833 5.178 4.350 -0.008 0.000 0.292 86 T C -0.297 174.383 174.700 -0.033 0.000 1.055 86 T CA -0.507 61.561 62.100 -0.053 0.000 1.009 86 T CB 1.651 70.400 68.868 -0.198 0.000 1.118 86 T HN 1.509 nan 8.240 nan 0.000 0.497 87 S N 0.142 115.698 115.700 -0.241 0.000 2.550 87 S HA 0.439 4.905 4.470 -0.008 0.000 0.270 87 S C -0.126 174.404 174.600 -0.116 0.000 1.145 87 S CA -0.652 57.272 58.200 -0.461 0.000 0.852 87 S CB 1.416 63.766 63.200 -1.417 0.000 1.119 87 S HN 0.935 nan 8.310 nan 0.000 0.465 88 N N 1.592 120.245 118.700 -0.079 0.000 2.220 88 N HA 0.091 4.826 4.740 -0.008 0.000 0.195 88 N C 0.071 175.671 175.510 0.150 0.000 1.123 88 N CA 0.496 53.589 53.050 0.073 0.000 0.874 88 N CB 0.133 38.619 38.487 -0.001 0.000 0.995 88 N HN 0.712 nan 8.380 nan 0.000 0.498 89 D N -0.335 120.053 120.400 -0.020 0.000 2.516 89 D HA 0.121 4.756 4.640 -0.008 0.000 0.241 89 D C 0.781 176.894 176.300 -0.311 0.000 1.246 89 D CA -0.336 53.616 54.000 -0.080 0.000 0.808 89 D CB -0.189 40.593 40.800 -0.030 0.000 1.147 89 D HN 0.085 nan 8.370 nan 0.000 0.527 90 L N -0.151 120.740 121.223 -0.555 0.000 4.800 90 L HA -0.238 4.097 4.340 -0.008 0.000 0.412 90 L C 0.926 177.568 176.870 -0.380 0.000 1.063 90 L CA 0.893 55.349 54.840 -0.640 0.000 1.114 90 L CB -1.689 39.968 42.059 -0.670 0.000 2.089 90 L HN 0.290 nan 8.230 nan 0.000 0.686 91 V N -6.314 113.332 119.914 -0.447 0.000 3.426 91 V HA 0.295 4.410 4.120 -0.008 0.000 0.279 91 V C 0.634 176.416 176.094 -0.520 0.000 1.544 91 V CA 0.104 62.195 62.300 -0.348 0.000 1.017 91 V CB 0.376 31.985 31.823 -0.357 0.000 0.821 91 V HN 0.387 nan 8.190 nan 0.000 0.432 92 H N -0.224 118.575 119.070 -0.451 0.000 2.539 92 H HA 0.654 5.207 4.556 -0.005 0.000 0.332 92 H C -1.660 173.395 175.328 -0.456 0.000 1.031 92 H CA -0.280 55.592 56.048 -0.293 0.000 1.206 92 H CB 1.035 30.677 29.762 -0.200 0.000 1.446 92 H HN 0.445 nan 8.280 nan 0.000 0.496 93 W N 2.361 123.710 121.300 0.081 0.000 2.702 93 W HA 0.351 5.009 4.660 -0.004 0.000 0.331 93 W C -0.756 175.759 176.519 -0.006 0.000 1.049 93 W CA -0.719 56.651 57.345 0.041 0.000 1.230 93 W CB 1.431 30.978 29.460 0.145 0.000 1.408 93 W HN 0.462 nan 8.180 nan 0.000 0.492 94 D N 2.111 122.588 120.400 0.129 0.000 2.256 94 D HA 0.102 4.737 4.640 -0.008 0.000 0.240 94 D C -0.793 175.308 176.300 -0.332 0.000 1.062 94 D CA -0.591 53.343 54.000 -0.110 0.000 0.832 94 D CB 1.929 42.613 40.800 -0.193 0.000 1.135 94 D HN 0.435 nan 8.370 nan 0.000 0.484 95 E N 2.333 122.388 120.200 -0.241 0.000 2.229 95 E HA 0.123 4.469 4.350 -0.008 0.000 0.283 95 E C -0.281 176.105 176.600 -0.357 0.000 1.030 95 E CA -0.443 55.847 56.400 -0.183 0.000 0.836 95 E CB 0.610 30.329 29.700 0.031 0.000 1.068 95 E HN 0.421 nan 8.360 nan 0.000 0.401 96 H N 2.280 121.359 119.070 0.014 0.000 2.748 96 H HA 0.253 4.804 4.556 -0.008 0.000 0.315 96 H C -0.347 175.059 175.328 0.130 0.000 1.429 96 H CA -0.829 55.267 56.048 0.080 0.000 1.444 96 H CB 0.617 30.459 29.762 0.133 0.000 1.827 96 H HN 0.497 nan 8.280 nan 0.000 0.754 97 E N 0.593 120.985 120.200 0.320 0.000 2.392 97 E HA 0.125 4.471 4.350 -0.008 0.000 0.259 97 E C 0.238 176.992 176.600 0.257 0.000 1.108 97 E CA -0.596 55.940 56.400 0.227 0.000 0.916 97 E CB 0.514 30.322 29.700 0.180 0.000 0.989 97 E HN 0.235 nan 8.360 nan 0.000 0.432 98 I N 1.792 122.471 120.570 0.181 0.000 3.076 98 I HA -0.232 3.934 4.170 -0.008 0.000 0.321 98 I C 1.158 177.418 176.117 0.239 0.000 1.216 98 I CA 0.740 62.145 61.300 0.176 0.000 1.460 98 I CB -0.505 37.505 38.000 0.016 0.000 1.313 98 I HN 0.773 nan 8.210 nan 0.000 0.546 99 A N 7.745 130.743 122.820 0.296 0.000 1.887 99 A HA 0.279 4.595 4.320 -0.008 0.000 0.212 99 A C 0.905 178.571 177.584 0.137 0.000 1.198 99 A CA 0.773 53.012 52.037 0.337 0.000 0.628 99 A CB 0.155 19.442 19.000 0.478 0.000 0.847 99 A HN 0.654 nan 8.150 nan 0.000 0.449 100 I N -1.338 119.229 120.570 -0.004 0.000 2.619 100 I HA 0.582 4.747 4.170 -0.008 0.000 0.292 100 I C 0.051 176.150 176.117 -0.029 0.000 1.100 100 I CA -0.722 60.445 61.300 -0.221 0.000 1.043 100 I CB 2.329 39.851 38.000 -0.797 0.000 1.239 100 I HN 0.179 nan 8.210 nan 0.000 0.420 101 G N 4.357 113.150 108.800 -0.012 0.000 2.537 101 G HA2 0.821 4.776 3.960 -0.008 0.000 0.308 101 G HA3 0.821 4.776 3.960 -0.008 0.000 0.308 101 G C -3.086 171.734 174.900 -0.133 0.000 1.237 101 G CA -1.471 43.682 45.100 0.089 0.000 0.968 101 G HN 0.299 nan 8.290 nan 0.000 0.481 102 P HA 0.286 nan 4.420 nan 0.000 0.282 102 P C 0.307 177.513 177.300 -0.156 0.000 1.259 102 P CA -0.361 62.626 63.100 -0.188 0.000 0.826 102 P CB 2.381 33.950 31.700 -0.219 0.000 1.064 103 E N -0.287 119.815 120.200 -0.164 0.000 2.150 103 E HA -0.139 4.206 4.350 -0.008 0.000 0.193 103 E C -0.097 176.188 176.600 -0.525 0.000 0.985 103 E CA 1.259 57.476 56.400 -0.305 0.000 0.814 103 E CB -0.036 29.489 29.700 -0.291 0.000 0.752 103 E HN 0.601 nan 8.360 nan 0.000 0.466 104 H N -1.617 117.414 119.070 -0.066 0.000 2.895 104 H HA 0.105 4.656 4.556 -0.007 0.000 0.373 104 H C -0.336 174.945 175.328 -0.079 0.000 1.174 104 H CA -0.770 55.243 56.048 -0.057 0.000 1.144 104 H CB 1.548 31.281 29.762 -0.048 0.000 1.793 104 H HN -0.164 nan 8.280 nan 0.000 0.551 105 D N 0.030 120.469 120.400 0.066 0.000 2.354 105 D HA -0.166 4.470 4.640 -0.008 0.000 0.216 105 D C 1.390 177.682 176.300 -0.013 0.000 0.970 105 D CA 0.864 54.861 54.000 -0.004 0.000 0.905 105 D CB -0.009 40.796 40.800 0.008 0.000 0.903 105 D HN 0.556 nan 8.370 nan 0.000 0.508 106 N N -0.562 118.155 118.700 0.029 0.000 2.223 106 N HA -0.133 4.603 4.740 -0.008 0.000 0.185 106 N C 0.713 176.216 175.510 -0.012 0.000 1.016 106 N CA 0.826 53.875 53.050 -0.001 0.000 0.863 106 N CB 0.426 38.899 38.487 -0.023 0.000 0.983 106 N HN -0.008 nan 8.380 nan 0.000 0.429 107 E N -2.012 118.174 120.200 -0.024 0.000 1.933 107 E HA 0.474 4.819 4.350 -0.008 0.000 0.195 107 E C -1.047 175.502 176.600 -0.085 0.000 1.449 107 E CA -0.394 55.983 56.400 -0.038 0.000 0.963 107 E CB 0.718 30.399 29.700 -0.032 0.000 1.872 107 E HN 0.175 nan 8.360 nan 0.000 0.557 108 G N -0.011 108.756 108.800 -0.054 0.000 2.866 108 G HA2 0.542 4.498 3.960 -0.008 0.000 0.289 108 G HA3 0.542 4.498 3.960 -0.008 0.000 0.289 108 G C -1.129 173.790 174.900 0.032 0.000 1.396 108 G CA -0.541 44.539 45.100 -0.033 0.000 0.848 108 G HN 0.191 nan 8.290 nan 0.000 0.515 109 I N 1.877 122.484 120.570 0.061 0.000 2.269 109 I HA 0.328 4.494 4.170 -0.008 0.000 0.293 109 I C -0.287 176.098 176.117 0.446 0.000 1.106 109 I CA -0.678 60.647 61.300 0.042 0.000 1.248 109 I CB -0.291 37.489 38.000 -0.365 0.000 1.444 109 I HN 0.101 nan 8.210 nan 0.000 0.497 110 F N 3.108 123.175 119.950 0.195 0.000 2.239 110 F HA 0.236 4.758 4.527 -0.008 0.000 0.288 110 F C 1.657 177.700 175.800 0.405 0.000 1.225 110 F CA -0.728 57.444 58.000 0.287 0.000 1.162 110 F CB 0.118 39.247 39.000 0.214 0.000 1.484 110 F HN 0.275 nan 8.300 nan 0.000 0.512 111 S N -0.583 115.385 115.700 0.448 0.000 2.566 111 S HA 0.481 4.946 4.470 -0.008 0.000 0.280 111 S C 0.365 175.203 174.600 0.398 0.000 1.343 111 S CA 0.421 58.813 58.200 0.321 0.000 1.036 111 S CB 0.342 63.621 63.200 0.131 0.000 0.866 111 S HN 0.940 nan 8.310 nan 0.000 0.526 112 G N 0.448 109.487 108.800 0.397 0.000 2.489 112 G HA2 0.585 4.541 3.960 -0.008 0.000 0.305 112 G HA3 0.585 4.541 3.960 -0.008 0.000 0.305 112 G C -1.245 173.822 174.900 0.279 0.000 1.311 112 G CA -0.236 45.115 45.100 0.418 0.000 0.813 112 G HN 0.952 nan 8.290 nan 0.000 0.480 113 S N -1.567 114.296 115.700 0.271 0.000 2.704 113 S HA 0.857 5.322 4.470 -0.008 0.000 0.296 113 S C -0.923 173.804 174.600 0.211 0.000 1.138 113 S CA -0.831 57.475 58.200 0.177 0.000 0.875 113 S CB 1.944 65.220 63.200 0.126 0.000 1.151 113 S HN 0.718 nan 8.310 nan 0.000 0.500 114 I N 1.083 121.751 120.570 0.164 0.000 2.646 114 I HA 0.640 4.806 4.170 -0.008 0.000 0.299 114 I C -0.867 175.309 176.117 0.098 0.000 1.036 114 I CA -1.099 60.249 61.300 0.081 0.000 1.074 114 I CB 2.214 40.205 38.000 -0.015 0.000 1.258 114 I HN 0.748 nan 8.210 nan 0.000 0.430 115 V N 3.122 123.051 119.914 0.025 0.000 3.074 115 V HA 0.632 4.747 4.120 -0.008 0.000 0.314 115 V C -0.712 175.359 176.094 -0.039 0.000 1.117 115 V CA -0.775 61.589 62.300 0.106 0.000 1.014 115 V CB 1.931 33.885 31.823 0.219 0.000 1.057 115 V HN 0.352 nan 8.190 nan 0.000 0.438 116 V N 1.615 121.545 119.914 0.027 0.000 2.347 116 V HA 0.363 4.479 4.120 -0.008 0.000 0.280 116 V C -0.208 175.800 176.094 -0.143 0.000 1.021 116 V CA 0.079 62.269 62.300 -0.184 0.000 0.847 116 V CB 1.055 32.679 31.823 -0.332 0.000 0.990 116 V HN 1.033 nan 8.190 nan 0.000 0.444 117 D N 3.265 123.606 120.400 -0.098 0.000 2.713 117 D HA 0.107 4.742 4.640 -0.008 0.000 0.229 117 D C 1.499 177.760 176.300 -0.065 0.000 1.136 117 D CA -0.049 53.980 54.000 0.048 0.000 1.010 117 D CB 0.011 40.790 40.800 -0.036 0.000 1.084 117 D HN 0.606 nan 8.370 nan 0.000 0.495 118 H N 0.575 119.642 119.070 -0.006 0.000 2.362 118 H HA -0.151 4.400 4.556 -0.008 0.000 0.294 118 H C 0.709 175.943 175.328 -0.156 0.000 1.113 118 H CA 0.945 56.948 56.048 -0.076 0.000 1.253 118 H CB 0.209 29.916 29.762 -0.092 0.000 1.363 118 H HN 0.290 nan 8.280 nan 0.000 0.494 119 N N 0.912 119.572 118.700 -0.068 0.000 2.320 119 N HA -0.045 4.690 4.740 -0.008 0.000 0.237 119 N C -0.077 175.303 175.510 -0.217 0.000 1.129 119 N CA -0.059 52.883 53.050 -0.179 0.000 0.854 119 N CB -0.380 37.972 38.487 -0.225 0.000 1.083 119 N HN 0.253 nan 8.380 nan 0.000 0.504 120 N N 0.422 118.987 118.700 -0.225 0.000 2.702 120 N HA -0.217 4.518 4.740 -0.008 0.000 0.255 120 N C 0.758 176.129 175.510 -0.232 0.000 0.983 120 N CA 1.054 53.947 53.050 -0.261 0.000 0.768 120 N CB -0.929 37.316 38.487 -0.404 0.000 0.918 120 N HN 0.398 nan 8.380 nan 0.000 0.540 121 T N -4.884 109.581 114.554 -0.148 0.000 3.072 121 T HA -0.068 4.277 4.350 -0.008 0.000 0.266 121 T C 1.682 176.247 174.700 -0.225 0.000 1.127 121 T CA 1.176 63.214 62.100 -0.104 0.000 1.107 121 T CB -0.280 68.655 68.868 0.112 0.000 0.910 121 T HN 0.397 nan 8.240 nan 0.000 0.513 122 S N 0.362 115.827 115.700 -0.392 0.000 2.492 122 S HA 0.450 4.915 4.470 -0.008 0.000 0.218 122 S C 1.747 175.715 174.600 -1.052 0.000 1.016 122 S CA 0.243 58.012 58.200 -0.719 0.000 0.916 122 S CB -0.462 62.255 63.200 -0.804 0.000 0.791 122 S HN 1.269 nan 8.310 nan 0.000 0.513 123 G N 1.196 109.552 108.800 -0.740 0.000 2.248 123 G HA2 -0.178 3.777 3.960 -0.008 0.000 0.263 123 G HA3 -0.178 3.777 3.960 -0.008 0.000 0.263 123 G C -0.477 174.076 174.900 -0.578 0.000 1.082 123 G CA -0.095 44.682 45.100 -0.539 0.000 0.863 123 G HN 0.455 nan 8.290 nan 0.000 0.495 124 F N -0.291 119.517 119.950 -0.236 0.000 2.434 124 F HA 0.732 5.254 4.527 -0.008 0.000 0.355 124 F C -0.050 175.705 175.800 -0.075 0.000 1.115 124 F CA -2.442 55.339 58.000 -0.365 0.000 1.010 124 F CB 1.449 39.895 39.000 -0.922 0.000 1.234 124 F HN 0.231 nan 8.300 nan 0.000 0.439 125 F N 3.612 123.536 119.950 -0.043 0.000 3.572 125 F HA 0.250 4.772 4.527 -0.008 0.000 0.375 125 F C 0.275 176.065 175.800 -0.016 0.000 1.152 125 F CA -0.667 57.313 58.000 -0.033 0.000 1.445 125 F CB 0.325 39.290 39.000 -0.059 0.000 1.917 125 F HN 0.310 nan 8.300 nan 0.000 0.797 126 N N 2.241 120.745 118.700 -0.325 0.000 2.036 126 N HA -0.162 4.574 4.740 -0.008 0.000 0.195 126 N C 1.348 176.490 175.510 -0.613 0.000 1.037 126 N CA 2.693 55.544 53.050 -0.330 0.000 0.855 126 N CB 0.342 38.710 38.487 -0.200 0.000 1.033 126 N HN 0.925 nan 8.380 nan 0.000 0.423 127 S N -4.624 110.422 115.700 -1.091 0.000 2.733 127 S HA -0.074 4.392 4.470 -0.008 0.000 0.102 127 S C 0.358 174.495 174.600 -0.772 0.000 0.641 127 S CA 0.331 57.680 58.200 -1.419 0.000 1.568 127 S CB -1.551 61.333 63.200 -0.527 0.000 0.857 127 S HN 0.325 nan 8.310 nan 0.000 0.521 128 S N 1.636 117.092 115.700 -0.407 0.000 2.592 128 S HA 0.551 5.017 4.470 -0.008 0.000 0.243 128 S C -0.134 174.432 174.600 -0.056 0.000 1.160 128 S CA -0.594 57.533 58.200 -0.120 0.000 1.145 128 S CB -0.253 62.905 63.200 -0.070 0.000 0.909 128 S HN 0.423 nan 8.310 nan 0.000 0.487 129 I N 3.187 123.724 120.570 -0.055 0.000 2.294 129 I HA 0.253 4.418 4.170 -0.008 0.000 0.295 129 I C 0.543 176.769 176.117 0.183 0.000 1.098 129 I CA -0.444 60.902 61.300 0.076 0.000 1.277 129 I CB -0.271 37.791 38.000 0.102 0.000 1.434 129 I HN 0.368 nan 8.210 nan 0.000 0.498 130 D N 9.751 130.219 120.400 0.114 0.000 2.586 130 D HA 0.009 4.645 4.640 -0.008 0.000 0.234 130 D C -2.283 174.080 176.300 0.105 0.000 1.132 130 D CA -0.550 53.515 54.000 0.108 0.000 0.860 130 D CB 0.674 41.516 40.800 0.070 0.000 1.159 130 D HN 0.197 nan 8.370 nan 0.000 0.490 131 P HA 0.058 nan 4.420 nan 0.000 0.268 131 P C 0.041 177.410 177.300 0.115 0.000 1.208 131 P CA 0.347 63.502 63.100 0.092 0.000 0.777 131 P CB 0.195 31.955 31.700 0.100 0.000 0.875 132 N N 0.337 119.092 118.700 0.091 0.000 2.713 132 N HA -0.327 4.408 4.740 -0.008 0.000 0.251 132 N C 0.251 175.771 175.510 0.017 0.000 1.117 132 N CA 0.875 53.954 53.050 0.048 0.000 0.770 132 N CB -1.502 37.154 38.487 0.283 0.000 1.137 132 N HN 0.583 nan 8.380 nan 0.000 0.566 133 Q N -0.241 119.556 119.800 -0.004 0.000 2.081 133 Q HA 0.183 4.518 4.340 -0.008 0.000 0.220 133 Q C -0.149 175.835 176.000 -0.028 0.000 0.775 133 Q CA -0.492 55.315 55.803 0.008 0.000 0.983 133 Q CB 0.573 29.336 28.738 0.042 0.000 1.188 133 Q HN 0.311 nan 8.270 nan 0.000 0.458 134 R N 1.596 122.064 120.500 -0.053 0.000 2.612 134 R HA 0.269 4.605 4.340 -0.008 0.000 0.273 134 R C -1.248 174.993 176.300 -0.098 0.000 1.376 134 R CA 0.246 56.324 56.100 -0.037 0.000 1.171 134 R CB -0.620 29.663 30.300 -0.029 0.000 1.151 134 R HN 0.131 nan 8.270 nan 0.000 0.560 135 I N 4.066 124.575 120.570 -0.101 0.000 2.321 135 I HA 0.282 4.448 4.170 -0.008 0.000 0.291 135 I C -0.584 175.508 176.117 -0.042 0.000 0.998 135 I CA -0.881 60.299 61.300 -0.199 0.000 1.227 135 I CB 1.834 39.620 38.000 -0.357 0.000 1.368 135 I HN 0.137 nan 8.210 nan 0.000 0.466 136 V N 5.751 125.639 119.914 -0.043 0.000 2.487 136 V HA 0.659 4.774 4.120 -0.008 0.000 0.298 136 V C 0.086 176.203 176.094 0.038 0.000 1.028 136 V CA -0.656 61.685 62.300 0.067 0.000 0.860 136 V CB 1.709 33.537 31.823 0.009 0.000 0.991 136 V HN 0.801 nan 8.190 nan 0.000 0.427 137 A N 5.764 128.637 122.820 0.089 0.000 2.292 137 A HA 0.894 5.209 4.320 -0.008 0.000 0.319 137 A C -0.843 176.730 177.584 -0.017 0.000 1.206 137 A CA -0.337 51.677 52.037 -0.038 0.000 0.835 137 A CB 0.412 19.154 19.000 -0.430 0.000 1.164 137 A HN 0.696 nan 8.150 nan 0.000 0.505 138 I N 3.194 123.772 120.570 0.012 0.000 2.389 138 I HA 0.529 4.695 4.170 -0.008 0.000 0.288 138 I C -0.491 175.625 176.117 -0.001 0.000 0.999 138 I CA -0.220 61.034 61.300 -0.075 0.000 1.129 138 I CB 1.069 39.024 38.000 -0.075 0.000 1.288 138 I HN 0.659 nan 8.210 nan 0.000 0.444 139 Y N 1.718 121.914 120.300 -0.172 0.000 2.625 139 Y HA 0.759 5.305 4.550 -0.008 0.000 0.338 139 Y C -0.638 175.190 175.900 -0.119 0.000 1.123 139 Y CA -1.329 56.700 58.100 -0.119 0.000 1.046 139 Y CB 0.788 39.032 38.460 -0.359 0.000 1.299 139 Y HN 0.300 nan 8.280 nan 0.000 0.464 140 T N 2.706 117.356 114.554 0.159 0.000 2.780 140 T HA 0.208 4.554 4.350 -0.008 0.000 0.294 140 T C -0.669 174.124 174.700 0.155 0.000 0.949 140 T CA -0.389 61.747 62.100 0.060 0.000 1.074 140 T CB 0.074 69.002 68.868 0.101 0.000 0.910 140 T HN 0.605 nan 8.240 nan 0.000 0.501 141 N N 3.284 121.987 118.700 0.004 0.000 2.457 141 N HA 0.159 4.894 4.740 -0.008 0.000 0.250 141 N C -0.776 174.631 175.510 -0.171 0.000 0.982 141 N CA -0.573 52.473 53.050 -0.006 0.000 0.941 141 N CB 0.439 38.934 38.487 0.014 0.000 1.120 141 N HN 0.397 nan 8.380 nan 0.000 0.505 142 N N 3.667 122.149 118.700 -0.364 0.000 2.420 142 N HA 0.353 5.089 4.740 -0.008 0.000 0.249 142 N C -1.081 174.265 175.510 -0.273 0.000 1.033 142 N CA -0.269 52.459 53.050 -0.536 0.000 0.944 142 N CB 0.264 37.911 38.487 -1.399 0.000 1.113 142 N HN 0.489 nan 8.380 nan 0.000 0.502 143 I N 3.336 123.806 120.570 -0.166 0.000 2.750 143 I HA 0.454 4.619 4.170 -0.008 0.000 0.308 143 I C -1.977 174.097 176.117 -0.073 0.000 1.016 143 I CA -2.651 58.596 61.300 -0.089 0.000 1.098 143 I CB 1.773 39.738 38.000 -0.059 0.000 1.279 143 I HN 0.365 nan 8.210 nan 0.000 0.454 144 P HA 0.013 nan 4.420 nan 0.000 0.260 144 P C -0.643 176.637 177.300 -0.033 0.000 1.185 144 P CA 0.646 63.726 63.100 -0.033 0.000 0.763 144 P CB 0.137 31.816 31.700 -0.034 0.000 0.776 145 D N -0.002 120.382 120.400 -0.026 0.000 3.079 145 D HA -0.202 4.434 4.640 -0.008 0.000 0.214 145 D C -0.064 176.221 176.300 -0.025 0.000 1.145 145 D CA 1.305 55.291 54.000 -0.023 0.000 0.958 145 D CB -1.558 39.228 40.800 -0.023 0.000 1.117 145 D HN 0.444 nan 8.370 nan 0.000 0.416 146 N N 0.187 118.867 118.700 -0.033 0.000 2.455 146 N HA 0.233 4.969 4.740 -0.008 0.000 0.285 146 N C -1.669 173.817 175.510 -0.040 0.000 1.080 146 N CA -0.279 52.753 53.050 -0.029 0.000 0.932 146 N CB 1.336 39.804 38.487 -0.031 0.000 1.610 146 N HN -0.078 nan 8.380 nan 0.000 0.493 147 Q N 1.292 121.094 119.800 0.004 0.000 2.330 147 Q HA 0.601 4.937 4.340 -0.008 0.000 0.269 147 Q C -0.765 175.304 176.000 0.115 0.000 1.022 147 Q CA -0.814 54.997 55.803 0.014 0.000 0.796 147 Q CB 2.128 30.893 28.738 0.046 0.000 1.271 147 Q HN 0.720 nan 8.270 nan 0.000 0.450 148 T N -1.204 113.374 114.554 0.040 0.000 2.887 148 T HA 0.468 4.814 4.350 -0.008 0.000 0.292 148 T C -0.675 173.977 174.700 -0.080 0.000 1.087 148 T CA -1.083 61.052 62.100 0.059 0.000 1.009 148 T CB 1.720 70.585 68.868 -0.005 0.000 1.203 148 T HN 0.237 nan 8.240 nan 0.000 0.518 149 Q N 1.576 121.298 119.800 -0.129 0.000 2.314 149 Q HA 0.590 4.925 4.340 -0.008 0.000 0.259 149 Q C -1.275 174.525 176.000 -0.334 0.000 0.951 149 Q CA -0.379 55.238 55.803 -0.311 0.000 0.909 149 Q CB 1.405 29.883 28.738 -0.433 0.000 1.236 149 Q HN 0.674 nan 8.270 nan 0.000 0.444 150 D N 1.530 121.595 120.400 -0.559 0.000 2.374 150 D HA 0.661 5.297 4.640 -0.008 0.000 0.239 150 D C 0.012 175.839 176.300 -0.789 0.000 0.991 150 D CA -0.539 53.096 54.000 -0.608 0.000 0.960 150 D CB 1.627 42.023 40.800 -0.673 0.000 1.284 150 D HN 0.496 nan 8.370 nan 0.000 0.512 151 I N -2.475 117.876 120.570 -0.366 0.000 2.785 151 I HA 0.938 5.104 4.170 -0.008 0.000 0.302 151 I C -1.171 174.970 176.117 0.039 0.000 1.069 151 I CA -1.109 60.085 61.300 -0.175 0.000 1.045 151 I CB 2.282 40.273 38.000 -0.014 0.000 1.236 151 I HN 0.385 nan 8.210 nan 0.000 0.429 152 A N 3.638 126.524 122.820 0.110 0.000 2.572 152 A HA 0.863 5.178 4.320 -0.008 0.000 0.295 152 A C -1.315 176.390 177.584 0.202 0.000 1.072 152 A CA -0.555 51.544 52.037 0.103 0.000 0.691 152 A CB 1.565 20.596 19.000 0.051 0.000 1.291 152 A HN 0.890 nan 8.150 nan 0.000 0.404 153 F N -0.059 119.898 119.950 0.012 0.000 2.563 153 F HA 0.860 5.382 4.527 -0.008 0.000 0.316 153 F C -0.128 175.549 175.800 -0.206 0.000 1.076 153 F CA -0.906 57.054 58.000 -0.067 0.000 0.921 153 F CB 1.921 40.746 39.000 -0.291 0.000 1.209 153 F HN 0.471 nan 8.300 nan 0.000 0.462 154 S N 3.148 118.693 115.700 -0.259 0.000 2.473 154 S HA 0.589 5.055 4.470 -0.008 0.000 0.307 154 S C -0.026 174.479 174.600 -0.159 0.000 1.094 154 S CA -0.732 57.124 58.200 -0.573 0.000 1.070 154 S CB 1.064 63.530 63.200 -1.224 0.000 1.019 154 S HN 0.850 nan 8.310 nan 0.000 0.480 155 L N 3.099 124.270 121.223 -0.087 0.000 2.664 155 L HA 0.289 4.624 4.340 -0.008 0.000 0.233 155 L C 0.867 177.738 176.870 0.003 0.000 1.113 155 L CA 0.086 54.937 54.840 0.018 0.000 0.896 155 L CB 0.085 42.188 42.059 0.074 0.000 1.163 155 L HN 0.653 nan 8.230 nan 0.000 0.497 156 D N -0.749 119.644 120.400 -0.012 0.000 2.402 156 D HA 0.145 4.780 4.640 -0.008 0.000 0.216 156 D C 1.212 177.638 176.300 0.209 0.000 1.128 156 D CA 0.399 54.440 54.000 0.068 0.000 0.833 156 D CB 0.675 41.511 40.800 0.059 0.000 0.971 156 D HN 0.120 nan 8.370 nan 0.000 0.503 157 G N -0.453 108.426 108.800 0.131 0.000 2.134 157 G HA2 0.069 4.025 3.960 -0.008 0.000 0.209 157 G HA3 0.069 4.025 3.960 -0.008 0.000 0.209 157 G C 0.959 175.891 174.900 0.053 0.000 0.993 157 G CA 0.020 45.232 45.100 0.186 0.000 0.669 157 G HN 1.298 nan 8.290 nan 0.000 0.519 158 G N -1.956 106.775 108.800 -0.116 0.000 2.164 158 G HA2 -0.151 3.805 3.960 -0.008 0.000 0.212 158 G HA3 -0.151 3.805 3.960 -0.008 0.000 0.212 158 G C 0.473 175.246 174.900 -0.212 0.000 1.031 158 G CA 0.817 45.794 45.100 -0.204 0.000 0.730 158 G HN 1.058 nan 8.290 nan 0.000 0.501 159 Y N 0.300 120.610 120.300 0.016 0.000 2.609 159 Y HA 0.323 4.868 4.550 -0.008 0.000 0.281 159 Y C 1.925 177.899 175.900 0.124 0.000 1.132 159 Y CA 1.046 59.238 58.100 0.153 0.000 1.264 159 Y CB 0.463 38.988 38.460 0.108 0.000 1.325 159 Y HN 0.479 nan 8.280 nan 0.000 0.514 160 T N -1.690 112.916 114.554 0.087 0.000 2.908 160 T HA 0.646 4.991 4.350 -0.008 0.000 0.290 160 T C -1.036 173.515 174.700 -0.249 0.000 1.034 160 T CA -0.582 61.541 62.100 0.039 0.000 1.010 160 T CB 1.836 70.716 68.868 0.019 0.000 1.068 160 T HN -0.114 nan 8.240 nan 0.000 0.481 161 F N 0.162 120.028 119.950 -0.139 0.000 2.577 161 F HA 0.641 5.164 4.527 -0.008 0.000 0.318 161 F C 0.317 175.885 175.800 -0.386 0.000 1.065 161 F CA -0.731 57.102 58.000 -0.279 0.000 0.929 161 F CB 2.809 41.638 39.000 -0.286 0.000 1.237 161 F HN 0.637 nan 8.300 nan 0.000 0.468 162 T N 1.694 115.943 114.554 -0.508 0.000 2.792 162 T HA 0.371 4.716 4.350 -0.008 0.000 0.280 162 T C -0.599 173.782 174.700 -0.533 0.000 0.990 162 T CA -1.072 60.651 62.100 -0.629 0.000 0.960 162 T CB 1.191 69.455 68.868 -1.008 0.000 0.939 162 T HN 0.318 nan 8.240 nan 0.000 0.439 163 K N 1.886 122.145 120.400 -0.235 0.000 2.270 163 K HA 0.217 4.532 4.320 -0.008 0.000 0.276 163 K C -0.487 176.119 176.600 0.010 0.000 1.023 163 K CA -0.680 55.564 56.287 -0.071 0.000 0.955 163 K CB 0.611 33.094 32.500 -0.027 0.000 0.975 163 K HN 0.578 nan 8.250 nan 0.000 0.471 164 Y N 2.899 123.188 120.300 -0.019 0.000 2.465 164 Y HA -0.071 4.474 4.550 -0.008 0.000 0.331 164 Y C 1.018 176.950 175.900 0.053 0.000 1.102 164 Y CA 0.058 58.197 58.100 0.065 0.000 1.358 164 Y CB 0.396 38.937 38.460 0.134 0.000 1.213 164 Y HN 0.720 nan 8.280 nan 0.000 0.525 165 E N 2.814 122.784 120.200 -0.383 0.000 2.108 165 E HA -0.306 4.039 4.350 -0.008 0.000 0.203 165 E C 0.433 176.733 176.600 -0.499 0.000 1.022 165 E CA 1.789 57.961 56.400 -0.380 0.000 0.823 165 E CB -0.027 29.511 29.700 -0.271 0.000 0.744 165 E HN 0.657 nan 8.360 nan 0.000 0.456 166 N N 1.375 119.476 118.700 -0.999 0.000 2.327 166 N HA 0.055 4.791 4.740 -0.008 0.000 0.231 166 N C -0.496 174.880 175.510 -0.223 0.000 1.130 166 N CA -0.038 52.693 53.050 -0.532 0.000 0.845 166 N CB 0.079 38.332 38.487 -0.391 0.000 1.073 166 N HN 0.082 nan 8.380 nan 0.000 0.496 167 N N 2.620 121.225 118.700 -0.159 0.000 2.395 167 N HA 0.089 4.824 4.740 -0.008 0.000 0.246 167 N C -1.961 173.532 175.510 -0.029 0.000 1.246 167 N CA -0.411 52.634 53.050 -0.009 0.000 0.879 167 N CB 0.337 38.810 38.487 -0.024 0.000 1.098 167 N HN 0.207 nan 8.380 nan 0.000 0.444 168 P HA 0.056 nan 4.420 nan 0.000 0.274 168 P C 0.855 178.184 177.300 0.049 0.000 1.237 168 P CA -0.384 62.706 63.100 -0.016 0.000 0.793 168 P CB 0.726 32.407 31.700 -0.031 0.000 0.977 169 V N -0.883 119.060 119.914 0.049 0.000 2.788 169 V HA 0.171 4.286 4.120 -0.008 0.000 0.251 169 V C 0.994 177.146 176.094 0.096 0.000 1.068 169 V CA 0.933 63.325 62.300 0.153 0.000 1.090 169 V CB -0.718 31.258 31.823 0.254 0.000 0.710 169 V HN 0.306 nan 8.190 nan 0.000 0.467 170 I N 1.200 121.736 120.570 -0.056 0.000 2.534 170 I HA 0.619 4.784 4.170 -0.008 0.000 0.288 170 I C -1.699 174.419 176.117 0.002 0.000 1.077 170 I CA -0.348 60.907 61.300 -0.075 0.000 1.051 170 I CB 2.077 39.901 38.000 -0.293 0.000 1.234 170 I HN 0.048 nan 8.210 nan 0.000 0.425 171 D N 5.160 125.548 120.400 -0.019 0.000 2.788 171 D HA 0.349 4.984 4.640 -0.008 0.000 0.247 171 D C -0.601 175.616 176.300 -0.138 0.000 1.236 171 D CA -0.304 53.670 54.000 -0.044 0.000 0.898 171 D CB 2.720 43.505 40.800 -0.025 0.000 1.401 171 D HN 0.201 nan 8.370 nan 0.000 0.549 172 V N 2.268 122.007 119.914 -0.292 0.000 3.214 172 V HA 0.128 4.243 4.120 -0.008 0.000 0.330 172 V C 0.774 176.732 176.094 -0.226 0.000 1.403 172 V CA 0.094 62.185 62.300 -0.349 0.000 1.143 172 V CB -0.431 30.959 31.823 -0.721 0.000 1.098 172 V HN 0.826 nan 8.190 nan 0.000 0.463 173 S N 0.878 116.491 115.700 -0.145 0.000 3.706 173 S HA -0.166 4.299 4.470 -0.008 0.000 0.363 173 S C 0.306 174.851 174.600 -0.092 0.000 0.999 173 S CA 1.127 59.272 58.200 -0.092 0.000 1.143 173 S CB -0.688 62.470 63.200 -0.071 0.000 0.902 173 S HN 0.724 nan 8.310 nan 0.000 0.476 174 S N -0.286 115.357 115.700 -0.096 0.000 2.536 174 S HA 0.665 5.130 4.470 -0.008 0.000 0.298 174 S C 0.508 175.112 174.600 0.008 0.000 1.083 174 S CA -0.674 57.492 58.200 -0.057 0.000 0.995 174 S CB 1.467 64.611 63.200 -0.094 0.000 1.058 174 S HN 0.381 nan 8.310 nan 0.000 0.488 175 N N 1.862 120.567 118.700 0.009 0.000 2.373 175 N HA 0.145 4.881 4.740 -0.008 0.000 0.181 175 N C -0.161 175.375 175.510 0.044 0.000 1.082 175 N CA 0.482 53.541 53.050 0.015 0.000 0.885 175 N CB 0.219 38.704 38.487 -0.003 0.000 0.977 175 N HN 0.577 nan 8.380 nan 0.000 0.462 176 Q N 0.120 119.965 119.800 0.075 0.000 3.255 176 Q HA 0.316 4.652 4.340 -0.008 0.000 0.231 176 Q C -2.100 174.017 176.000 0.195 0.000 0.935 176 Q CA -0.384 55.475 55.803 0.093 0.000 0.714 176 Q CB 0.107 28.861 28.738 0.026 0.000 1.345 176 Q HN 0.184 nan 8.270 nan 0.000 0.463 177 F N 3.825 123.782 119.950 0.012 0.000 3.395 177 F HA 0.489 5.011 4.527 -0.007 0.000 0.382 177 F C -1.627 174.191 175.800 0.030 0.000 1.264 177 F CA -0.169 57.840 58.000 0.016 0.000 1.277 177 F CB 0.562 39.558 39.000 -0.006 0.000 1.780 177 F HN 0.403 nan 8.300 nan 0.000 0.691 178 R N 2.710 123.060 120.500 -0.249 0.000 2.747 178 R HA 0.624 4.960 4.340 -0.008 0.000 0.272 178 R C -1.670 174.556 176.300 -0.124 0.000 1.032 178 R CA -0.805 55.197 56.100 -0.163 0.000 0.896 178 R CB 1.217 31.573 30.300 0.093 0.000 1.253 178 R HN 0.243 nan 8.270 nan 0.000 0.461 179 D N 0.019 120.402 120.400 -0.029 0.000 2.897 179 D HA -0.064 4.571 4.640 -0.008 0.000 0.250 179 D C -2.476 173.805 176.300 -0.032 0.000 1.086 179 D CA 0.488 54.499 54.000 0.017 0.000 0.799 179 D CB -0.843 39.986 40.800 0.047 0.000 1.043 179 D HN 0.484 nan 8.370 nan 0.000 0.427 180 P HA 0.279 nan 4.420 nan 0.000 0.281 180 P C -0.258 177.041 177.300 -0.001 0.000 1.252 180 P CA -0.265 62.776 63.100 -0.099 0.000 0.778 180 P CB 1.043 32.614 31.700 -0.214 0.000 0.895 181 K N 3.885 124.309 120.400 0.040 0.000 2.394 181 K HA 0.435 4.751 4.320 -0.008 0.000 0.260 181 K C -1.060 175.664 176.600 0.207 0.000 0.967 181 K CA -0.991 55.366 56.287 0.117 0.000 0.855 181 K CB 0.637 33.207 32.500 0.116 0.000 1.101 181 K HN 0.316 nan 8.250 nan 0.000 0.433 182 V N 3.107 123.171 119.914 0.250 0.000 2.769 182 V HA 0.954 5.069 4.120 -0.008 0.000 0.312 182 V C -1.115 175.319 176.094 0.567 0.000 1.058 182 V CA -0.575 61.933 62.300 0.347 0.000 0.952 182 V CB 0.987 32.984 31.823 0.291 0.000 1.019 182 V HN 0.743 nan 8.190 nan 0.000 0.445 183 F N 1.734 121.985 119.950 0.501 0.000 2.693 183 F HA 0.579 5.101 4.527 -0.008 0.000 0.309 183 F C -1.184 174.999 175.800 0.639 0.000 1.129 183 F CA -1.375 56.962 58.000 0.561 0.000 0.948 183 F CB 1.344 40.594 39.000 0.416 0.000 1.315 183 F HN 0.946 nan 8.300 nan 0.000 0.447 184 W N 3.650 125.198 121.300 0.413 0.000 2.287 184 W HA 0.410 5.065 4.660 -0.007 0.000 0.313 184 W C -1.603 175.061 176.519 0.241 0.000 1.267 184 W CA -0.235 57.050 57.345 -0.100 0.000 1.201 184 W CB 1.048 30.222 29.460 -0.476 0.000 1.196 184 W HN 0.888 nan 8.180 nan 0.000 0.536 185 H N 4.564 123.116 119.070 -0.864 0.000 2.860 185 H HA 0.206 4.758 4.556 -0.008 0.000 0.312 185 H C 0.128 174.969 175.328 -0.812 0.000 0.995 185 H CA -0.347 55.445 56.048 -0.427 0.000 1.311 185 H CB 0.732 30.400 29.762 -0.156 0.000 1.478 185 H HN 0.364 nan 8.280 nan 0.000 0.508 186 E N 2.671 122.442 120.200 -0.716 0.000 2.585 186 E HA -0.049 4.297 4.350 -0.008 0.000 0.256 186 E C 0.625 176.880 176.600 -0.575 0.000 1.383 186 E CA 0.933 57.056 56.400 -0.461 0.000 1.029 186 E CB 0.381 30.040 29.700 -0.068 0.000 1.044 186 E HN 1.027 nan 8.360 nan 0.000 0.595 187 D N -1.245 118.986 120.400 -0.281 0.000 3.043 187 D HA -0.279 4.356 4.640 -0.008 0.000 0.215 187 D C 0.734 176.925 176.300 -0.182 0.000 1.165 187 D CA 1.557 55.442 54.000 -0.193 0.000 0.953 187 D CB -1.298 39.436 40.800 -0.110 0.000 1.115 187 D HN 0.334 nan 8.370 nan 0.000 0.392 188 S N -0.172 115.346 115.700 -0.302 0.000 2.632 188 S HA 0.042 4.507 4.470 -0.008 0.000 0.237 188 S C 0.711 175.179 174.600 -0.219 0.000 1.037 188 S CA 0.775 58.902 58.200 -0.122 0.000 1.009 188 S CB 0.160 63.327 63.200 -0.054 0.000 0.974 188 S HN 0.421 nan 8.310 nan 0.000 0.544 189 N N 1.862 120.329 118.700 -0.388 0.000 2.738 189 N HA -0.190 4.545 4.740 -0.008 0.000 0.249 189 N C -0.604 174.591 175.510 -0.526 0.000 1.047 189 N CA 1.090 53.910 53.050 -0.382 0.000 0.707 189 N CB -1.016 37.430 38.487 -0.068 0.000 0.937 189 N HN 0.954 nan 8.380 nan 0.000 0.545 190 Q N -1.033 118.188 119.800 -0.965 0.000 2.482 190 Q HA 0.378 4.714 4.340 -0.008 0.000 0.286 190 Q C -1.318 174.217 176.000 -0.776 0.000 1.007 190 Q CA -0.998 54.403 55.803 -0.669 0.000 0.801 190 Q CB 0.514 29.070 28.738 -0.303 0.000 1.455 190 Q HN 0.226 nan 8.270 nan 0.000 0.398 191 W N 1.630 122.839 121.300 -0.152 0.000 2.253 191 W HA 0.352 5.007 4.660 -0.008 0.000 0.322 191 W C -0.226 176.246 176.519 -0.079 0.000 1.342 191 W CA -0.394 56.943 57.345 -0.014 0.000 1.218 191 W CB 0.611 30.108 29.460 0.063 0.000 1.205 191 W HN 0.375 nan 8.180 nan 0.000 0.551 192 I N 5.081 125.631 120.570 -0.034 0.000 2.354 192 I HA 0.303 4.468 4.170 -0.008 0.000 0.292 192 I C -0.114 176.058 176.117 0.091 0.000 0.989 192 I CA -1.255 59.966 61.300 -0.132 0.000 1.188 192 I CB 1.247 38.835 38.000 -0.686 0.000 1.342 192 I HN 0.444 nan 8.210 nan 0.000 0.457 193 M N 7.062 126.835 119.600 0.289 0.000 2.205 193 M HA 0.445 4.920 4.480 -0.008 0.000 0.344 193 M C -1.583 174.806 176.300 0.148 0.000 1.085 193 M CA -0.446 54.916 55.300 0.104 0.000 1.001 193 M CB 1.600 33.992 32.600 -0.347 0.000 1.626 193 M HN 0.310 nan 8.290 nan 0.000 0.442 194 V N 6.534 126.530 119.914 0.136 0.000 2.311 194 V HA 0.553 4.668 4.120 -0.008 0.000 0.275 194 V C -0.878 175.267 176.094 0.086 0.000 1.022 194 V CA -0.242 62.138 62.300 0.133 0.000 0.830 194 V CB 1.549 33.454 31.823 0.136 0.000 1.012 194 V HN 0.749 nan 8.190 nan 0.000 0.452 195 V N 5.569 125.542 119.914 0.097 0.000 3.074 195 V HA 0.834 4.949 4.120 -0.008 0.000 0.314 195 V C -0.306 175.841 176.094 0.087 0.000 1.117 195 V CA -0.221 62.079 62.300 -0.001 0.000 1.014 195 V CB 3.166 34.868 31.823 -0.202 0.000 1.057 195 V HN 0.892 nan 8.190 nan 0.000 0.438 196 S N 2.837 118.559 115.700 0.036 0.000 2.561 196 S HA 0.556 5.021 4.470 -0.008 0.000 0.303 196 S C -0.833 173.863 174.600 0.160 0.000 1.110 196 S CA -0.718 57.576 58.200 0.157 0.000 1.034 196 S CB 1.387 64.714 63.200 0.211 0.000 1.010 196 S HN 0.718 nan 8.310 nan 0.000 0.482 197 K N 2.733 123.269 120.400 0.226 0.000 2.150 197 K HA 0.331 4.646 4.320 -0.008 0.000 0.261 197 K C 1.002 177.622 176.600 0.033 0.000 1.127 197 K CA -0.223 56.199 56.287 0.225 0.000 0.989 197 K CB -0.301 32.320 32.500 0.202 0.000 1.475 197 K HN 0.691 nan 8.250 nan 0.000 0.391 198 S N 2.468 118.195 115.700 0.045 0.000 2.369 198 S HA -0.230 4.236 4.470 -0.008 0.000 0.225 198 S C 1.229 175.677 174.600 -0.253 0.000 1.043 198 S CA 1.404 59.592 58.200 -0.020 0.000 1.074 198 S CB -0.107 63.110 63.200 0.028 0.000 0.962 198 S HN 0.689 nan 8.310 nan 0.000 0.433 199 Q N 0.095 119.734 119.800 -0.268 0.000 2.403 199 Q HA 0.116 4.451 4.340 -0.008 0.000 0.203 199 Q C 1.166 176.831 176.000 -0.558 0.000 0.932 199 Q CA 0.269 55.803 55.803 -0.449 0.000 0.945 199 Q CB 0.055 28.649 28.738 -0.240 0.000 1.045 199 Q HN 0.623 nan 8.270 nan 0.000 0.511 200 E N -0.114 119.841 120.200 -0.407 0.000 2.479 200 E HA -0.028 4.317 4.350 -0.008 0.000 0.193 200 E C -0.743 175.632 176.600 -0.375 0.000 1.049 200 E CA -0.215 56.008 56.400 -0.294 0.000 0.870 200 E CB 0.154 29.765 29.700 -0.149 0.000 0.944 200 E HN 0.292 nan 8.360 nan 0.000 0.492 201 Y N 0.539 120.469 120.300 -0.618 0.000 3.305 201 Y HA -0.283 4.262 4.550 -0.008 0.000 0.212 201 Y C -0.335 174.768 175.900 -1.329 0.000 1.248 201 Y CA 0.475 57.727 58.100 -1.413 0.000 1.359 201 Y CB -1.516 36.049 38.460 -1.490 0.000 1.407 201 Y HN -0.057 nan 8.280 nan 0.000 0.572 202 K N 0.795 120.836 120.400 -0.598 0.000 2.376 202 K HA 0.585 4.900 4.320 -0.008 0.000 0.257 202 K C -0.295 176.392 176.600 0.145 0.000 0.939 202 K CA -0.937 55.255 56.287 -0.159 0.000 0.809 202 K CB 2.274 34.745 32.500 -0.049 0.000 1.121 202 K HN 0.128 nan 8.250 nan 0.000 0.425 203 I N 3.019 123.810 120.570 0.368 0.000 2.379 203 I HA 0.030 4.196 4.170 -0.008 0.000 0.290 203 I C 0.473 176.738 176.117 0.247 0.000 1.063 203 I CA 0.020 61.531 61.300 0.353 0.000 1.351 203 I CB 0.494 38.721 38.000 0.378 0.000 1.410 203 I HN 0.230 nan 8.210 nan 0.000 0.505 204 Q N 6.825 126.757 119.800 0.220 0.000 2.278 204 Q HA 0.537 4.872 4.340 -0.008 0.000 0.257 204 Q C -0.786 175.290 176.000 0.126 0.000 0.928 204 Q CA -0.528 55.366 55.803 0.151 0.000 0.932 204 Q CB 2.262 31.156 28.738 0.259 0.000 1.221 204 Q HN 0.569 nan 8.270 nan 0.000 0.434 205 I N 3.176 123.742 120.570 -0.007 0.000 2.330 205 I HA 0.336 4.502 4.170 -0.008 0.000 0.289 205 I C -0.639 175.428 176.117 -0.084 0.000 1.001 205 I CA -0.367 60.960 61.300 0.045 0.000 1.193 205 I CB 0.477 38.539 38.000 0.102 0.000 1.345 205 I HN 0.409 nan 8.210 nan 0.000 0.461 206 F N 3.199 123.232 119.950 0.139 0.000 2.483 206 F HA 0.767 5.290 4.527 -0.008 0.000 0.329 206 F C 0.873 176.858 175.800 0.307 0.000 1.064 206 F CA -0.472 57.668 58.000 0.233 0.000 0.986 206 F CB 2.007 41.149 39.000 0.237 0.000 1.218 206 F HN 0.381 nan 8.300 nan 0.000 0.484 207 G N -0.021 109.089 108.800 0.516 0.000 2.498 207 G HA2 0.571 4.526 3.960 -0.008 0.000 0.312 207 G HA3 0.571 4.526 3.960 -0.008 0.000 0.312 207 G C -1.620 173.390 174.900 0.183 0.000 1.230 207 G CA -0.735 44.530 45.100 0.274 0.000 0.968 207 G HN 0.657 nan 8.290 nan 0.000 0.481 208 S N -1.326 114.331 115.700 -0.073 0.000 2.556 208 S HA 0.526 4.991 4.470 -0.008 0.000 0.280 208 S C 0.158 174.728 174.600 -0.050 0.000 1.141 208 S CA 0.364 58.369 58.200 -0.325 0.000 0.883 208 S CB 1.246 63.680 63.200 -1.277 0.000 1.103 208 S HN 1.669 nan 8.310 nan 0.000 0.453 209 A N 3.441 126.255 122.820 -0.010 0.000 2.379 209 A HA 0.393 4.709 4.320 -0.008 0.000 0.236 209 A C 0.955 178.651 177.584 0.186 0.000 1.272 209 A CA 0.300 52.430 52.037 0.154 0.000 0.886 209 A CB -0.729 18.315 19.000 0.074 0.000 0.962 209 A HN 0.838 nan 8.150 nan 0.000 0.504 210 N N -1.119 117.593 118.700 0.019 0.000 2.297 210 N HA 0.140 4.875 4.740 -0.008 0.000 0.247 210 N C 0.541 175.815 175.510 -0.393 0.000 1.138 210 N CA 0.541 53.477 53.050 -0.190 0.000 0.813 210 N CB 0.477 38.808 38.487 -0.259 0.000 1.496 210 N HN 0.143 nan 8.380 nan 0.000 0.480 211 L N -0.244 120.584 121.223 -0.659 0.000 5.198 211 L HA -0.340 3.995 4.340 -0.008 0.000 0.414 211 L C 0.949 177.638 176.870 -0.302 0.000 0.922 211 L CA 1.249 55.726 54.840 -0.605 0.000 1.585 211 L CB -1.031 40.699 42.059 -0.548 0.000 1.671 211 L HN 0.228 nan 8.230 nan 0.000 0.621 212 K N -0.512 119.651 120.400 -0.395 0.000 2.240 212 K HA 0.201 4.516 4.320 -0.008 0.000 0.202 212 K C 0.654 177.205 176.600 -0.082 0.000 1.053 212 K CA 0.306 56.490 56.287 -0.172 0.000 0.973 212 K CB 0.248 32.610 32.500 -0.229 0.000 0.924 212 K HN 0.203 nan 8.250 nan 0.000 0.477 213 N N 0.653 119.195 118.700 -0.263 0.000 2.425 213 N HA 0.165 4.900 4.740 -0.008 0.000 0.268 213 N C -1.302 174.049 175.510 -0.265 0.000 0.991 213 N CA -0.151 52.827 53.050 -0.121 0.000 0.931 213 N CB 0.968 39.421 38.487 -0.057 0.000 1.130 213 N HN 0.031 nan 8.380 nan 0.000 0.493 214 W N 0.918 122.257 121.300 0.065 0.000 2.706 214 W HA 0.592 5.247 4.660 -0.008 0.000 0.346 214 W C -0.350 176.310 176.519 0.236 0.000 1.071 214 W CA -0.732 56.691 57.345 0.130 0.000 1.206 214 W CB 1.296 30.771 29.460 0.027 0.000 1.413 214 W HN -0.026 nan 8.180 nan 0.000 0.542 215 V N 3.542 123.793 119.914 0.562 0.000 2.638 215 V HA 0.276 4.392 4.120 -0.008 0.000 0.306 215 V C -0.767 175.557 176.094 0.383 0.000 1.052 215 V CA -1.157 61.389 62.300 0.410 0.000 0.885 215 V CB 1.609 33.571 31.823 0.232 0.000 0.999 215 V HN 0.372 nan 8.190 nan 0.000 0.424 216 L N 5.079 126.401 121.223 0.165 0.000 2.418 216 L HA 0.351 4.687 4.340 -0.008 0.000 0.274 216 L C 1.000 177.796 176.870 -0.122 0.000 1.135 216 L CA 0.880 55.511 54.840 -0.348 0.000 0.870 216 L CB 0.284 42.120 42.059 -0.372 0.000 1.154 216 L HN 0.623 nan 8.230 nan 0.000 0.462 217 N N 1.633 120.259 118.700 -0.122 0.000 2.499 217 N HA 0.113 4.849 4.740 -0.008 0.000 0.182 217 N C -0.145 175.395 175.510 0.051 0.000 1.034 217 N CA 0.895 53.976 53.050 0.052 0.000 0.882 217 N CB 0.308 38.861 38.487 0.109 0.000 1.125 217 N HN 0.745 nan 8.380 nan 0.000 0.436 218 S N -0.705 114.996 115.700 0.003 0.000 2.611 218 S HA 0.466 4.931 4.470 -0.008 0.000 0.268 218 S C -1.812 172.816 174.600 0.045 0.000 1.156 218 S CA -1.013 57.217 58.200 0.050 0.000 0.817 218 S CB 1.859 65.135 63.200 0.128 0.000 1.122 218 S HN -0.053 nan 8.310 nan 0.000 0.466 219 N N 0.398 119.154 118.700 0.093 0.000 2.321 219 N HA 0.675 5.411 4.740 -0.008 0.000 0.299 219 N C -1.958 173.689 175.510 0.228 0.000 1.048 219 N CA -0.340 52.781 53.050 0.119 0.000 0.836 219 N CB 1.559 40.082 38.487 0.059 0.000 1.269 219 N HN 0.641 nan 8.380 nan 0.000 0.486 220 F N 0.848 120.850 119.950 0.087 0.000 2.529 220 F HA 0.538 5.060 4.527 -0.007 0.000 0.320 220 F C -0.746 175.139 175.800 0.142 0.000 1.118 220 F CA -0.486 57.575 58.000 0.103 0.000 0.915 220 F CB 1.331 40.396 39.000 0.107 0.000 1.161 220 F HN 0.245 nan 8.300 nan 0.000 0.445 221 S N 4.117 119.411 115.700 -0.678 0.000 2.775 221 S HA 0.647 5.113 4.470 -0.008 0.000 0.277 221 S C -0.820 173.522 174.600 -0.430 0.000 1.156 221 S CA -0.600 57.389 58.200 -0.352 0.000 1.081 221 S CB 1.481 64.607 63.200 -0.122 0.000 1.054 221 S HN 0.722 nan 8.310 nan 0.000 0.482 222 S N 1.619 117.167 115.700 -0.254 0.000 2.757 222 S HA 0.915 5.380 4.470 -0.008 0.000 0.285 222 S C 0.335 175.176 174.600 0.401 0.000 1.196 222 S CA 0.395 58.559 58.200 -0.060 0.000 0.856 222 S CB 0.845 63.801 63.200 -0.407 0.000 1.212 222 S HN 1.740 nan 8.310 nan 0.000 0.516 223 G N 0.668 109.757 108.800 0.481 0.000 2.575 223 G HA2 -0.267 3.689 3.960 -0.008 0.000 0.267 223 G HA3 -0.267 3.689 3.960 -0.008 0.000 0.267 223 G C -0.776 174.332 174.900 0.348 0.000 1.264 223 G CA 0.444 45.840 45.100 0.494 0.000 0.935 223 G HN 1.090 nan 8.290 nan 0.000 0.568 224 Y N 1.073 121.510 120.300 0.228 0.000 2.404 224 Y HA 0.513 5.058 4.550 -0.008 0.000 0.344 224 Y C 1.433 177.601 175.900 0.447 0.000 0.995 224 Y CA -0.073 58.187 58.100 0.267 0.000 1.201 224 Y CB 0.330 38.982 38.460 0.319 0.000 1.151 224 Y HN 0.479 nan 8.280 nan 0.000 0.517 225 Y N 3.531 123.827 120.300 -0.006 0.000 2.153 225 Y HA 0.021 4.567 4.550 -0.008 0.000 0.289 225 Y C 1.992 178.090 175.900 0.331 0.000 1.127 225 Y CA 0.678 58.839 58.100 0.103 0.000 1.131 225 Y CB -0.862 37.296 38.460 -0.504 0.000 0.995 225 Y HN 0.832 nan 8.280 nan 0.000 0.505 226 G N 0.368 109.378 108.800 0.351 0.000 2.582 226 G HA2 -0.497 3.458 3.960 -0.008 0.000 0.288 226 G HA3 -0.497 3.458 3.960 -0.008 0.000 0.288 226 G C 1.000 176.163 174.900 0.438 0.000 1.247 226 G CA 0.894 46.235 45.100 0.401 0.000 0.972 226 G HN 0.431 nan 8.290 nan 0.000 0.557 227 N N -0.064 118.855 118.700 0.364 0.000 2.197 227 N HA 0.145 4.880 4.740 -0.008 0.000 0.184 227 N C 0.993 176.641 175.510 0.230 0.000 1.030 227 N CA 2.159 55.377 53.050 0.281 0.000 0.851 227 N CB 0.126 38.695 38.487 0.137 0.000 1.003 227 N HN 0.778 nan 8.380 nan 0.000 0.430 228 Q N -1.473 118.465 119.800 0.231 0.000 2.416 228 Q HA 0.308 4.643 4.340 -0.008 0.000 0.281 228 Q C -1.552 174.669 176.000 0.370 0.000 1.067 228 Q CA -0.812 55.059 55.803 0.114 0.000 0.809 228 Q CB 1.475 30.238 28.738 0.042 0.000 1.418 228 Q HN 0.088 nan 8.270 nan 0.000 0.411 229 Y N 1.232 121.575 120.300 0.070 0.000 2.319 229 Y HA 0.306 4.851 4.550 -0.008 0.000 0.328 229 Y C 0.253 176.237 175.900 0.139 0.000 1.133 229 Y CA -0.209 57.984 58.100 0.155 0.000 1.265 229 Y CB 0.849 39.381 38.460 0.119 0.000 1.218 229 Y HN 0.467 nan 8.280 nan 0.000 0.508 230 E N 0.134 120.506 120.200 0.286 0.000 2.408 230 E HA 0.315 4.660 4.350 -0.008 0.000 0.275 230 E C -0.890 175.787 176.600 0.127 0.000 0.935 230 E CA -0.926 55.596 56.400 0.204 0.000 0.775 230 E CB 2.132 31.984 29.700 0.254 0.000 1.277 230 E HN 0.652 nan 8.360 nan 0.000 0.455 231 C N 2.164 121.511 119.300 0.077 0.000 2.749 231 C HA -0.107 4.348 4.460 -0.008 0.000 0.241 231 C C -1.937 173.097 174.990 0.073 0.000 1.269 231 C CA -0.399 58.636 59.018 0.029 0.000 2.527 231 C CB -2.387 25.312 27.740 -0.068 0.000 1.569 231 C HN 0.409 nan 8.230 nan 0.000 0.405 232 P HA 0.538 nan 4.420 nan 0.000 0.276 232 P C 0.218 177.602 177.300 0.139 0.000 1.244 232 P CA 0.630 63.816 63.100 0.144 0.000 0.801 232 P CB 1.146 32.934 31.700 0.146 0.000 1.006 233 G N 0.650 109.577 108.800 0.211 0.000 2.612 233 G HA2 0.602 4.557 3.960 -0.008 0.000 0.298 233 G HA3 0.602 4.557 3.960 -0.008 0.000 0.298 233 G C -2.166 172.849 174.900 0.191 0.000 1.336 233 G CA -0.542 44.689 45.100 0.218 0.000 0.953 233 G HN 0.517 nan 8.290 nan 0.000 0.482 234 L N 1.360 122.652 121.223 0.115 0.000 2.516 234 L HA 0.851 5.187 4.340 -0.008 0.000 0.267 234 L C -1.215 175.595 176.870 -0.099 0.000 0.957 234 L CA -0.709 54.119 54.840 -0.019 0.000 0.860 234 L CB 1.510 43.477 42.059 -0.153 0.000 1.265 234 L HN 0.655 nan 8.230 nan 0.000 0.403 235 I N 2.319 122.915 120.570 0.045 0.000 2.908 235 I HA 0.374 4.539 4.170 -0.008 0.000 0.300 235 I C -1.257 174.644 176.117 -0.360 0.000 1.385 235 I CA -0.379 60.826 61.300 -0.159 0.000 1.004 235 I CB 2.257 40.231 38.000 -0.043 0.000 1.309 235 I HN 0.736 nan 8.210 nan 0.000 0.449 236 E N 5.317 125.011 120.200 -0.844 0.000 2.152 236 E HA 0.475 4.820 4.350 -0.008 0.000 0.285 236 E C -1.622 174.747 176.600 -0.384 0.000 1.043 236 E CA -0.496 55.315 56.400 -0.981 0.000 0.839 236 E CB 1.226 30.151 29.700 -1.291 0.000 1.069 236 E HN 0.407 nan 8.360 nan 0.000 0.399 237 V N 7.514 127.286 119.914 -0.236 0.000 2.459 237 V HA 0.371 4.486 4.120 -0.008 0.000 0.295 237 V C -2.083 173.974 176.094 -0.061 0.000 1.029 237 V CA -1.922 60.334 62.300 -0.072 0.000 0.874 237 V CB 1.468 33.294 31.823 0.005 0.000 0.985 237 V HN 0.717 nan 8.190 nan 0.000 0.438 238 P HA 0.302 nan 4.420 nan 0.000 0.275 238 P C -0.590 176.704 177.300 -0.009 0.000 1.228 238 P CA -0.108 62.985 63.100 -0.012 0.000 0.786 238 P CB 0.994 32.699 31.700 0.008 0.000 0.927 239 I N 2.152 122.719 120.570 -0.005 0.000 2.395 239 I HA 0.105 4.271 4.170 -0.008 0.000 0.289 239 I C 1.922 178.048 176.117 0.015 0.000 1.023 239 I CA -0.263 61.032 61.300 -0.009 0.000 1.350 239 I CB 0.562 38.568 38.000 0.011 0.000 1.409 239 I HN 0.414 nan 8.210 nan 0.000 0.507 240 E N 3.605 123.812 120.200 0.011 0.000 2.070 240 E HA -0.232 4.114 4.350 -0.008 0.000 0.197 240 E C 1.193 177.807 176.600 0.023 0.000 1.004 240 E CA 1.567 57.975 56.400 0.014 0.000 0.805 240 E CB 0.103 29.810 29.700 0.011 0.000 0.744 240 E HN 0.630 nan 8.360 nan 0.000 0.451 241 N N 0.133 118.860 118.700 0.044 0.000 2.349 241 N HA -0.042 4.694 4.740 -0.008 0.000 0.180 241 N C 1.121 176.653 175.510 0.037 0.000 1.024 241 N CA 0.583 53.655 53.050 0.037 0.000 0.869 241 N CB -0.083 38.429 38.487 0.042 0.000 1.022 241 N HN 0.040 nan 8.380 nan 0.000 0.433 242 S N 1.550 117.282 115.700 0.053 0.000 2.612 242 S HA 0.008 4.473 4.470 -0.008 0.000 0.253 242 S C 0.641 175.263 174.600 0.037 0.000 1.346 242 S CA -0.039 58.191 58.200 0.050 0.000 0.976 242 S CB 0.422 63.665 63.200 0.071 0.000 0.949 242 S HN 0.286 nan 8.310 nan 0.000 0.584 243 D N -1.383 119.040 120.400 0.037 0.000 2.339 243 D HA 0.130 4.765 4.640 -0.008 0.000 0.217 243 D C 0.174 176.498 176.300 0.040 0.000 1.050 243 D CA 0.005 54.025 54.000 0.034 0.000 0.856 243 D CB -0.104 40.715 40.800 0.032 0.000 0.922 243 D HN 0.246 nan 8.370 nan 0.000 0.518 244 K N 0.615 121.044 120.400 0.048 0.000 2.138 244 K HA 0.439 4.754 4.320 -0.008 0.000 0.251 244 K C 0.582 177.205 176.600 0.038 0.000 1.015 244 K CA -0.147 56.173 56.287 0.055 0.000 0.917 244 K CB 1.321 33.867 32.500 0.077 0.000 1.021 244 K HN 0.289 nan 8.250 nan 0.000 0.485 245 S N 0.043 115.763 115.700 0.033 0.000 2.688 245 S HA 0.628 5.094 4.470 -0.008 0.000 0.275 245 S C -1.137 173.473 174.600 0.015 0.000 1.175 245 S CA -0.991 57.207 58.200 -0.004 0.000 0.818 245 S CB 2.330 65.496 63.200 -0.058 0.000 1.157 245 S HN 0.360 nan 8.310 nan 0.000 0.482 246 K N -0.454 119.937 120.400 -0.016 0.000 2.480 246 K HA 0.400 4.715 4.320 -0.008 0.000 0.258 246 K C -1.808 174.793 176.600 0.002 0.000 0.990 246 K CA -0.294 56.033 56.287 0.067 0.000 0.857 246 K CB 1.474 34.035 32.500 0.102 0.000 1.384 246 K HN 0.771 nan 8.250 nan 0.000 0.446 247 W N 0.773 122.171 121.300 0.164 0.000 2.365 247 W HA 0.398 5.054 4.660 -0.007 0.000 0.316 247 W C -0.126 176.510 176.519 0.194 0.000 1.164 247 W CA -0.462 56.992 57.345 0.182 0.000 1.204 247 W CB 1.208 30.844 29.460 0.293 0.000 1.213 247 W HN -0.009 nan 8.180 nan 0.000 0.539 248 V N 5.650 125.691 119.914 0.212 0.000 2.487 248 V HA 0.337 4.452 4.120 -0.008 0.000 0.298 248 V C 0.022 175.954 176.094 -0.269 0.000 1.028 248 V CA -1.135 61.139 62.300 -0.043 0.000 0.860 248 V CB 1.464 33.109 31.823 -0.296 0.000 0.991 248 V HN 0.397 nan 8.190 nan 0.000 0.427 249 M N 5.064 124.415 119.600 -0.415 0.000 2.108 249 M HA 0.496 4.972 4.480 -0.008 0.000 0.354 249 M C -0.906 175.296 176.300 -0.163 0.000 1.229 249 M CA -0.028 55.017 55.300 -0.424 0.000 1.081 249 M CB 0.662 32.818 32.600 -0.740 0.000 1.606 249 M HN 0.442 nan 8.290 nan 0.000 0.467 250 F N 4.467 124.483 119.950 0.109 0.000 2.421 250 F HA 0.585 5.107 4.527 -0.007 0.000 0.337 250 F C -0.137 175.771 175.800 0.180 0.000 1.105 250 F CA -0.797 57.313 58.000 0.185 0.000 1.049 250 F CB 1.293 40.437 39.000 0.241 0.000 1.139 250 F HN 0.384 nan 8.300 nan 0.000 0.479 251 L N 3.195 124.640 121.223 0.370 0.000 2.470 251 L HA 0.815 5.151 4.340 -0.008 0.000 0.268 251 L C -1.173 175.832 176.870 0.226 0.000 0.964 251 L CA -0.619 54.366 54.840 0.241 0.000 0.839 251 L CB 1.553 43.735 42.059 0.205 0.000 1.276 251 L HN 0.625 nan 8.230 nan 0.000 0.403 252 A N 5.813 128.736 122.820 0.171 0.000 2.305 252 A HA 0.841 5.157 4.320 -0.008 0.000 0.322 252 A C -0.597 177.191 177.584 0.340 0.000 1.187 252 A CA -0.483 51.671 52.037 0.195 0.000 0.825 252 A CB 0.550 19.453 19.000 -0.161 0.000 1.164 252 A HN 0.886 nan 8.150 nan 0.000 0.498 253 I N -0.165 120.708 120.570 0.505 0.000 2.608 253 I HA 0.855 5.020 4.170 -0.008 0.000 0.295 253 I C -0.835 175.564 176.117 0.470 0.000 1.049 253 I CA -0.880 60.707 61.300 0.478 0.000 1.063 253 I CB 2.430 40.698 38.000 0.448 0.000 1.248 253 I HN 0.592 nan 8.210 nan 0.000 0.424 254 N N 4.896 123.789 118.700 0.322 0.000 2.516 254 N HA 0.456 5.192 4.740 -0.008 0.000 0.268 254 N C -2.848 172.698 175.510 0.060 0.000 1.096 254 N CA -1.170 51.943 53.050 0.104 0.000 0.954 254 N CB 2.855 41.283 38.487 -0.099 0.000 1.676 254 N HN 0.444 nan 8.380 nan 0.000 0.490 255 P HA 0.259 nan 4.420 nan 0.000 0.236 255 P C 0.309 177.658 177.300 0.081 0.000 1.749 255 P CA -0.077 63.024 63.100 0.002 0.000 0.994 255 P CB 0.105 31.765 31.700 -0.068 0.000 1.599 256 G N -0.020 108.888 108.800 0.180 0.000 2.880 256 G HA2 -0.085 3.870 3.960 -0.008 0.000 0.209 256 G HA3 -0.085 3.870 3.960 -0.008 0.000 0.209 256 G C 0.654 175.729 174.900 0.292 0.000 1.157 256 G CA 0.021 45.281 45.100 0.267 0.000 0.779 256 G HN 0.402 nan 8.290 nan 0.000 0.539 257 S N 1.770 117.561 115.700 0.152 0.000 2.626 257 S HA 0.068 4.534 4.470 -0.008 0.000 0.303 257 S C -0.199 174.358 174.600 -0.072 0.000 1.256 257 S CA -0.551 57.643 58.200 -0.011 0.000 1.069 257 S CB 1.178 64.322 63.200 -0.093 0.000 0.807 257 S HN 0.138 nan 8.310 nan 0.000 0.500 258 P HA -0.093 nan 4.420 nan 0.000 0.219 258 P C 1.183 178.412 177.300 -0.118 0.000 1.146 258 P CA 0.754 63.741 63.100 -0.190 0.000 0.808 258 P CB 0.104 31.565 31.700 -0.400 0.000 0.779 259 L N -2.011 119.095 121.223 -0.195 0.000 2.418 259 L HA 0.222 4.558 4.340 -0.008 0.000 0.218 259 L C 1.716 178.568 176.870 -0.031 0.000 1.125 259 L CA 1.570 56.340 54.840 -0.117 0.000 0.835 259 L CB -0.664 41.289 42.059 -0.177 0.000 0.953 259 L HN 0.168 nan 8.230 nan 0.000 0.454 260 G N -2.655 106.134 108.800 -0.019 0.000 2.198 260 G HA2 0.132 4.087 3.960 -0.008 0.000 0.057 260 G HA3 0.132 4.087 3.960 -0.008 0.000 0.057 260 G C 0.549 175.440 174.900 -0.015 0.000 0.803 260 G CA -0.064 45.056 45.100 0.033 0.000 1.140 260 G HN 0.108 nan 8.290 nan 0.000 0.405 261 G N 0.395 109.152 108.800 -0.072 0.000 2.680 261 G HA2 0.466 4.421 3.960 -0.008 0.000 0.224 261 G HA3 0.466 4.421 3.960 -0.008 0.000 0.224 261 G C 0.922 175.763 174.900 -0.098 0.000 1.454 261 G CA 1.614 46.646 45.100 -0.113 0.000 0.900 261 G HN 1.714 nan 8.290 nan 0.000 0.570 262 S N -0.744 114.853 115.700 -0.171 0.000 2.651 262 S HA 0.780 5.245 4.470 -0.008 0.000 0.291 262 S C -0.687 173.898 174.600 -0.025 0.000 1.141 262 S CA -0.625 57.434 58.200 -0.236 0.000 1.027 262 S CB 2.224 64.963 63.200 -0.768 0.000 1.043 262 S HN 0.511 nan 8.310 nan 0.000 0.530 263 I N 0.519 121.232 120.570 0.240 0.000 3.021 263 I HA 0.383 4.548 4.170 -0.008 0.000 0.305 263 I C -1.894 174.495 176.117 0.453 0.000 1.434 263 I CA -0.644 60.811 61.300 0.259 0.000 0.969 263 I CB 2.142 40.090 38.000 -0.086 0.000 1.328 263 I HN 0.663 nan 8.210 nan 0.000 0.486 264 N N 4.211 123.160 118.700 0.416 0.000 2.362 264 N HA 0.475 5.211 4.740 -0.008 0.000 0.298 264 N C -1.693 174.114 175.510 0.495 0.000 1.048 264 N CA -0.395 52.913 53.050 0.431 0.000 0.858 264 N CB 2.028 40.772 38.487 0.428 0.000 1.218 264 N HN 0.566 nan 8.380 nan 0.000 0.488 265 Q N 1.100 121.132 119.800 0.388 0.000 2.587 265 Q HA 0.589 4.924 4.340 -0.008 0.000 0.293 265 Q C -1.511 174.524 176.000 0.059 0.000 1.083 265 Q CA -0.889 55.016 55.803 0.169 0.000 0.792 265 Q CB 2.259 30.962 28.738 -0.058 0.000 1.484 265 Q HN 0.594 nan 8.270 nan 0.000 0.446 266 Y N -1.794 118.242 120.300 -0.440 0.000 2.625 266 Y HA 0.794 5.339 4.550 -0.007 0.000 0.338 266 Y C -2.019 173.403 175.900 -0.797 0.000 1.123 266 Y CA -1.464 56.314 58.100 -0.537 0.000 1.046 266 Y CB 1.497 39.674 38.460 -0.471 0.000 1.299 266 Y HN 0.575 nan 8.280 nan 0.000 0.464 267 F N 0.835 120.794 119.950 0.015 0.000 2.576 267 F HA 0.709 5.232 4.527 -0.008 0.000 0.313 267 F C -0.978 174.984 175.800 0.270 0.000 1.078 267 F CA -1.388 56.684 58.000 0.120 0.000 0.921 267 F CB 2.368 41.548 39.000 0.299 0.000 1.232 267 F HN 0.386 nan 8.300 nan 0.000 0.459 268 V N 1.855 122.032 119.914 0.439 0.000 2.409 268 V HA 0.929 5.045 4.120 -0.008 0.000 0.291 268 V C 0.071 176.336 176.094 0.286 0.000 1.020 268 V CA -0.081 62.430 62.300 0.352 0.000 0.848 268 V CB 0.888 32.850 31.823 0.232 0.000 0.990 268 V HN 1.059 nan 8.190 nan 0.000 0.430 269 G N 3.803 112.770 108.800 0.278 0.000 2.619 269 G HA2 0.333 4.288 3.960 -0.008 0.000 0.146 269 G HA3 0.333 4.288 3.960 -0.008 0.000 0.146 269 G C -1.725 173.248 174.900 0.121 0.000 1.192 269 G CA -0.262 44.851 45.100 0.021 0.000 1.063 269 G HN 0.466 nan 8.290 nan 0.000 0.538 270 D N -0.793 119.558 120.400 -0.081 0.000 2.414 270 D HA 0.765 5.400 4.640 -0.008 0.000 0.241 270 D C -1.748 174.586 176.300 0.057 0.000 1.008 270 D CA -0.078 53.984 54.000 0.104 0.000 1.001 270 D CB 2.664 43.487 40.800 0.038 0.000 1.277 270 D HN 0.202 nan 8.370 nan 0.000 0.538 271 F N 1.353 121.157 119.950 -0.243 0.000 2.670 271 F HA 0.132 4.654 4.527 -0.008 0.000 0.332 271 F C -0.606 174.961 175.800 -0.389 0.000 1.179 271 F CA -0.843 56.864 58.000 -0.489 0.000 1.076 271 F CB 1.279 39.644 39.000 -1.058 0.000 1.322 271 F HN 0.139 nan 8.300 nan 0.000 0.515 272 D N 2.072 122.007 120.400 -0.775 0.000 2.369 272 D HA 0.340 4.975 4.640 -0.008 0.000 0.211 272 D C 1.485 177.398 176.300 -0.646 0.000 1.077 272 D CA 0.685 54.412 54.000 -0.455 0.000 0.842 272 D CB 0.631 41.355 40.800 -0.127 0.000 0.947 272 D HN 1.056 nan 8.370 nan 0.000 0.509 273 G N -0.897 106.735 108.800 -1.946 0.000 2.184 273 G HA2 -0.256 3.700 3.960 -0.008 0.000 0.206 273 G HA3 -0.256 3.700 3.960 -0.008 0.000 0.206 273 G C 0.436 174.548 174.900 -1.313 0.000 0.995 273 G CA 0.182 44.280 45.100 -1.671 0.000 0.651 273 G HN 0.339 nan 8.290 nan 0.000 0.511 274 F N 0.444 120.022 119.950 -0.619 0.000 2.347 274 F HA 0.414 4.937 4.527 -0.007 0.000 0.266 274 F C 1.125 176.917 175.800 -0.014 0.000 0.884 274 F CA 0.628 58.517 58.000 -0.186 0.000 1.123 274 F CB 0.073 38.979 39.000 -0.157 0.000 1.098 274 F HN 0.269 nan 8.300 nan 0.000 0.803 275 Q N 0.942 120.836 119.800 0.156 0.000 2.375 275 Q HA 0.278 4.614 4.340 -0.008 0.000 0.271 275 Q C -1.585 174.586 176.000 0.286 0.000 1.074 275 Q CA -0.768 55.168 55.803 0.222 0.000 0.808 275 Q CB 2.274 31.106 28.738 0.156 0.000 1.327 275 Q HN 0.235 nan 8.270 nan 0.000 0.441 276 F N 2.643 122.683 119.950 0.149 0.000 2.410 276 F HA 0.475 4.997 4.527 -0.008 0.000 0.348 276 F C -1.111 174.642 175.800 -0.080 0.000 1.106 276 F CA -0.441 57.557 58.000 -0.005 0.000 1.163 276 F CB 1.009 39.803 39.000 -0.343 0.000 1.129 276 F HN 0.313 nan 8.300 nan 0.000 0.516 277 V N 8.458 127.909 119.914 -0.772 0.000 2.357 277 V HA 0.318 4.433 4.120 -0.008 0.000 0.281 277 V C -2.178 173.482 176.094 -0.724 0.000 1.015 277 V CA -1.621 60.364 62.300 -0.525 0.000 0.827 277 V CB 1.140 32.843 31.823 -0.200 0.000 1.018 277 V HN 0.649 nan 8.190 nan 0.000 0.432 278 P HA 0.232 nan 4.420 nan 0.000 0.275 278 P C 0.011 177.267 177.300 -0.072 0.000 1.228 278 P CA -0.116 62.801 63.100 -0.304 0.000 0.786 278 P CB 1.407 33.161 31.700 0.090 0.000 0.927 279 D N 0.531 120.935 120.400 0.008 0.000 2.178 279 D HA -0.088 4.548 4.640 -0.008 0.000 0.202 279 D C 0.517 176.857 176.300 0.067 0.000 0.974 279 D CA 1.711 55.738 54.000 0.044 0.000 0.841 279 D CB 0.031 40.876 40.800 0.075 0.000 0.953 279 D HN 0.597 nan 8.370 nan 0.000 0.478 280 D N -2.280 118.178 120.400 0.097 0.000 2.798 280 D HA 0.294 4.929 4.640 -0.008 0.000 0.308 280 D C -0.510 175.876 176.300 0.142 0.000 1.187 280 D CA -0.760 53.300 54.000 0.100 0.000 1.033 280 D CB 0.645 41.498 40.800 0.089 0.000 1.445 280 D HN -0.179 nan 8.370 nan 0.000 0.550 281 S N -1.807 113.967 115.700 0.124 0.000 2.592 281 S HA 0.218 4.683 4.470 -0.008 0.000 0.243 281 S C -0.291 174.385 174.600 0.126 0.000 1.160 281 S CA -0.800 57.489 58.200 0.148 0.000 1.145 281 S CB -0.715 62.544 63.200 0.098 0.000 0.909 281 S HN 0.581 nan 8.310 nan 0.000 0.487 282 Q N 0.321 120.186 119.800 0.109 0.000 2.226 282 Q HA 0.619 4.955 4.340 -0.008 0.000 0.256 282 Q C -1.046 174.934 176.000 -0.033 0.000 0.962 282 Q CA -0.623 55.199 55.803 0.033 0.000 0.887 282 Q CB 0.990 29.729 28.738 0.002 0.000 1.282 282 Q HN 0.117 nan 8.270 nan 0.000 0.449 283 T N 2.726 117.211 114.554 -0.114 0.000 2.799 283 T HA 0.516 4.862 4.350 -0.008 0.000 0.286 283 T C -0.591 173.808 174.700 -0.501 0.000 0.973 283 T CA -0.685 61.234 62.100 -0.302 0.000 1.035 283 T CB 0.584 69.334 68.868 -0.197 0.000 0.932 283 T HN 0.479 nan 8.240 nan 0.000 0.469 284 R N 1.902 121.936 120.500 -0.776 0.000 2.621 284 R HA 0.476 4.811 4.340 -0.008 0.000 0.284 284 R C -1.276 174.569 176.300 -0.758 0.000 0.998 284 R CA -0.732 54.925 56.100 -0.738 0.000 0.895 284 R CB 1.894 31.740 30.300 -0.758 0.000 1.195 284 R HN 0.485 nan 8.270 nan 0.000 0.450 285 F N 0.578 120.488 119.950 -0.067 0.000 2.397 285 F HA 0.197 4.719 4.527 -0.008 0.000 0.331 285 F C 1.681 177.620 175.800 0.232 0.000 1.090 285 F CA -0.775 57.264 58.000 0.064 0.000 1.065 285 F CB 1.352 40.378 39.000 0.044 0.000 1.184 285 F HN 0.208 nan 8.300 nan 0.000 0.499 286 V N -0.163 120.030 119.914 0.465 0.000 2.358 286 V HA -0.162 3.953 4.120 -0.008 0.000 0.246 286 V C 0.311 176.443 176.094 0.064 0.000 1.047 286 V CA 1.717 64.187 62.300 0.283 0.000 1.035 286 V CB -0.353 31.598 31.823 0.214 0.000 0.658 286 V HN 0.737 nan 8.190 nan 0.000 0.452 287 D N -0.731 119.704 120.400 0.058 0.000 2.936 287 D HA 0.256 4.892 4.640 -0.008 0.000 0.238 287 D C -0.154 176.157 176.300 0.018 0.000 1.248 287 D CA -0.470 53.452 54.000 -0.130 0.000 0.903 287 D CB 2.185 42.668 40.800 -0.529 0.000 1.544 287 D HN 0.291 nan 8.370 nan 0.000 0.543 288 I N 1.033 121.620 120.570 0.029 0.000 3.874 288 I HA 0.437 4.602 4.170 -0.008 0.000 0.331 288 I C 0.848 176.976 176.117 0.019 0.000 1.489 288 I CA -0.698 60.624 61.300 0.037 0.000 1.187 288 I CB 0.448 38.510 38.000 0.103 0.000 1.150 288 I HN 0.117 nan 8.210 nan 0.000 0.412 289 G N 1.128 109.926 108.800 -0.003 0.000 2.557 289 G HA2 0.209 4.165 3.960 -0.008 0.000 0.292 289 G HA3 0.209 4.165 3.960 -0.008 0.000 0.292 289 G C 0.351 175.252 174.900 0.001 0.000 1.237 289 G CA -0.487 44.614 45.100 0.002 0.000 0.978 289 G HN 0.158 nan 8.290 nan 0.000 0.498 290 K N -1.012 119.388 120.400 -0.000 0.000 2.365 290 K HA 0.070 4.386 4.320 -0.008 0.000 0.197 290 K C 0.185 176.783 176.600 -0.004 0.000 1.042 290 K CA 0.715 57.002 56.287 -0.000 0.000 0.987 290 K CB 0.415 32.928 32.500 0.021 0.000 0.779 290 K HN 0.333 nan 8.250 nan 0.000 0.484 291 D N -0.247 120.165 120.400 0.020 0.000 3.010 291 D HA 0.092 4.728 4.640 -0.008 0.000 0.347 291 D C -1.317 175.014 176.300 0.052 0.000 1.340 291 D CA -0.145 53.834 54.000 -0.033 0.000 0.858 291 D CB 0.108 40.895 40.800 -0.022 0.000 1.111 291 D HN 0.005 nan 8.370 nan 0.000 0.482 292 F N 2.209 122.128 119.950 -0.052 0.000 2.949 292 F HA 0.299 4.821 4.527 -0.008 0.000 0.376 292 F C -1.788 174.106 175.800 0.157 0.000 1.205 292 F CA -0.851 57.169 58.000 0.032 0.000 1.155 292 F CB 0.853 39.873 39.000 0.035 0.000 1.495 292 F HN -0.111 nan 8.300 nan 0.000 0.551 293 Y N 3.787 123.970 120.300 -0.194 0.000 2.581 293 Y HA 0.600 5.146 4.550 -0.008 0.000 0.345 293 Y C 0.230 176.161 175.900 0.052 0.000 1.036 293 Y CA -0.700 57.404 58.100 0.006 0.000 1.042 293 Y CB 2.232 40.727 38.460 0.058 0.000 1.289 293 Y HN 0.677 nan 8.280 nan 0.000 0.471 294 A N 3.322 125.721 122.820 -0.702 0.000 2.822 294 A HA -0.304 4.011 4.320 -0.008 0.000 0.287 294 A C -0.284 177.166 177.584 -0.225 0.000 1.479 294 A CA 0.877 52.639 52.037 -0.458 0.000 0.779 294 A CB -2.725 16.155 19.000 -0.199 0.000 1.022 294 A HN 1.003 nan 8.150 nan 0.000 0.532 295 F N 0.333 120.082 119.950 -0.334 0.000 2.608 295 F HA 0.432 4.955 4.527 -0.008 0.000 0.380 295 F C 0.525 176.144 175.800 -0.302 0.000 1.083 295 F CA 1.611 59.408 58.000 -0.338 0.000 1.266 295 F CB 0.381 39.237 39.000 -0.240 0.000 1.076 295 F HN 0.633 nan 8.300 nan 0.000 0.574 296 Q N 4.094 123.236 119.800 -1.096 0.000 2.423 296 Q HA 0.353 4.688 4.340 -0.008 0.000 0.278 296 Q C -1.233 174.024 176.000 -1.239 0.000 1.097 296 Q CA -0.900 54.301 55.803 -1.003 0.000 0.809 296 Q CB 2.271 30.693 28.738 -0.527 0.000 1.391 296 Q HN 0.744 nan 8.270 nan 0.000 0.428 297 T N 1.571 115.633 114.554 -0.821 0.000 2.928 297 T HA 0.482 4.828 4.350 -0.008 0.000 0.284 297 T C -0.879 173.690 174.700 -0.219 0.000 1.008 297 T CA -0.261 61.548 62.100 -0.484 0.000 1.057 297 T CB 0.246 68.946 68.868 -0.280 0.000 1.018 297 T HN 0.349 nan 8.240 nan 0.000 0.493 298 F N 1.814 121.780 119.950 0.026 0.000 2.399 298 F HA 0.340 4.863 4.527 -0.006 0.000 0.342 298 F C 1.301 177.253 175.800 0.254 0.000 1.106 298 F CA -0.052 58.071 58.000 0.205 0.000 1.196 298 F CB 1.036 40.237 39.000 0.336 0.000 1.163 298 F HN 0.389 nan 8.300 nan 0.000 0.547 299 S N 1.851 117.870 115.700 0.531 0.000 2.632 299 S HA 0.187 4.653 4.470 -0.008 0.000 0.271 299 S C -0.073 174.821 174.600 0.489 0.000 1.260 299 S CA -0.544 57.938 58.200 0.469 0.000 1.010 299 S CB 0.647 64.121 63.200 0.457 0.000 0.965 299 S HN 0.665 nan 8.310 nan 0.000 0.534 300 E N -1.251 119.190 120.200 0.401 0.000 2.791 300 E HA -0.148 4.197 4.350 -0.008 0.000 0.271 300 E C -0.703 176.050 176.600 0.254 0.000 1.044 300 E CA 0.344 56.956 56.400 0.353 0.000 0.814 300 E CB -2.499 27.446 29.700 0.407 0.000 1.400 300 E HN 0.301 nan 8.360 nan 0.000 0.423 301 V N 1.726 121.773 119.914 0.221 0.000 2.408 301 V HA 0.090 4.205 4.120 -0.008 0.000 0.267 301 V C 0.987 177.089 176.094 0.013 0.000 1.047 301 V CA 0.005 62.364 62.300 0.099 0.000 0.937 301 V CB 0.700 32.643 31.823 0.201 0.000 0.999 301 V HN 0.181 nan 8.190 nan 0.000 0.472 302 E N 6.248 126.364 120.200 -0.140 0.000 2.249 302 E HA 0.401 4.746 4.350 -0.008 0.000 0.280 302 E C -0.043 176.226 176.600 -0.551 0.000 1.016 302 E CA -0.661 55.568 56.400 -0.286 0.000 0.830 302 E CB 0.527 30.021 29.700 -0.344 0.000 1.081 302 E HN 0.943 nan 8.360 nan 0.000 0.395 303 H N 0.985 120.078 119.070 0.038 0.000 2.883 303 H HA -0.179 4.372 4.556 -0.008 0.000 0.275 303 H C 0.224 175.572 175.328 0.033 0.000 0.761 303 H CA 0.389 56.453 56.048 0.028 0.000 0.870 303 H CB -1.780 27.991 29.762 0.016 0.000 1.492 303 H HN 1.520 nan 8.280 nan 0.000 0.288 304 G N 0.682 109.569 108.800 0.145 0.000 2.555 304 G HA2 0.152 4.107 3.960 -0.008 0.000 0.686 304 G HA3 0.152 4.107 3.960 -0.008 0.000 0.686 304 G C -1.061 173.911 174.900 0.119 0.000 1.275 304 G CA -0.530 44.640 45.100 0.117 0.000 0.871 304 G HN 0.958 nan 8.290 nan 0.000 0.603 305 V N 0.812 120.816 119.914 0.150 0.000 2.487 305 V HA 0.772 4.888 4.120 -0.008 0.000 0.298 305 V C -0.258 176.013 176.094 0.294 0.000 1.028 305 V CA -0.751 61.670 62.300 0.201 0.000 0.860 305 V CB 1.470 33.412 31.823 0.198 0.000 0.991 305 V HN 0.811 nan 8.190 nan 0.000 0.427 306 L N 3.689 125.094 121.223 0.302 0.000 2.381 306 L HA 1.016 5.351 4.340 -0.008 0.000 0.268 306 L C 0.280 177.423 176.870 0.455 0.000 0.997 306 L CA 0.232 55.289 54.840 0.362 0.000 0.818 306 L CB 2.103 44.263 42.059 0.169 0.000 1.310 306 L HN 0.836 nan 8.230 nan 0.000 0.416 307 G N 2.058 111.173 108.800 0.525 0.000 2.646 307 G HA2 0.671 4.627 3.960 -0.008 0.000 0.291 307 G HA3 0.671 4.627 3.960 -0.008 0.000 0.291 307 G C -2.187 172.977 174.900 0.440 0.000 1.445 307 G CA -0.516 44.736 45.100 0.253 0.000 0.814 307 G HN 0.583 nan 8.290 nan 0.000 0.495 308 L N -2.119 119.169 121.223 0.107 0.000 2.397 308 L HA 1.066 5.402 4.340 -0.008 0.000 0.251 308 L C -0.041 176.814 176.870 -0.025 0.000 1.064 308 L CA -1.516 53.456 54.840 0.219 0.000 0.859 308 L CB 1.179 43.344 42.059 0.177 0.000 1.468 308 L HN 1.406 nan 8.230 nan 0.000 0.411 309 A N -0.877 121.863 122.820 -0.133 0.000 2.485 309 A HA 0.714 5.029 4.320 -0.008 0.000 0.292 309 A C -2.073 175.409 177.584 -0.169 0.000 1.147 309 A CA -0.489 51.320 52.037 -0.379 0.000 0.750 309 A CB 1.016 19.280 19.000 -1.228 0.000 1.331 309 A HN 0.913 nan 8.150 nan 0.000 0.419 310 W N 1.591 122.710 121.300 -0.301 0.000 2.356 310 W HA 0.493 5.148 4.660 -0.008 0.000 0.311 310 W C 0.221 176.637 176.519 -0.173 0.000 1.328 310 W CA -0.372 56.842 57.345 -0.219 0.000 1.251 310 W CB 0.695 30.041 29.460 -0.190 0.000 1.280 310 W HN 0.799 nan 8.180 nan 0.000 0.524 311 A N 5.386 128.029 122.820 -0.294 0.000 3.260 311 A HA 0.504 4.819 4.320 -0.008 0.000 0.268 311 A C -0.021 177.285 177.584 -0.464 0.000 1.491 311 A CA 0.115 51.992 52.037 -0.267 0.000 1.181 311 A CB -0.357 18.608 19.000 -0.058 0.000 1.137 311 A HN 0.486 nan 8.150 nan 0.000 0.642 312 S N -0.044 115.114 115.700 -0.904 0.000 2.672 312 S HA 0.506 4.971 4.470 -0.008 0.000 0.271 312 S C -1.730 172.309 174.600 -0.934 0.000 1.171 312 S CA -0.754 56.953 58.200 -0.822 0.000 0.817 312 S CB 1.263 63.914 63.200 -0.914 0.000 1.150 312 S HN 0.507 nan 8.310 nan 0.000 0.478 313 N N 0.204 118.471 118.700 -0.722 0.000 2.314 313 N HA 0.276 5.012 4.740 -0.008 0.000 0.294 313 N C 0.000 175.119 175.510 -0.652 0.000 1.029 313 N CA -0.529 52.080 53.050 -0.735 0.000 0.845 313 N CB 1.064 39.116 38.487 -0.725 0.000 1.321 313 N HN 0.831 nan 8.380 nan 0.000 0.481 314 W N 1.626 122.675 121.300 -0.418 0.000 2.387 314 W HA -0.139 4.516 4.660 -0.007 0.000 0.272 314 W C 2.084 178.485 176.519 -0.196 0.000 1.224 314 W CA 0.559 57.819 57.345 -0.143 0.000 1.210 314 W CB 0.461 29.836 29.460 -0.142 0.000 1.125 314 W HN 0.667 nan 8.180 nan 0.000 0.572 315 Q N -0.831 118.882 119.800 -0.145 0.000 2.432 315 Q HA -0.126 4.209 4.340 -0.008 0.000 0.205 315 Q C 0.608 176.653 176.000 0.075 0.000 0.945 315 Q CA 1.104 56.813 55.803 -0.156 0.000 0.924 315 Q CB -0.394 28.122 28.738 -0.371 0.000 1.016 315 Q HN 0.586 nan 8.270 nan 0.000 0.503 316 Y N -4.399 116.052 120.300 0.252 0.000 2.729 316 Y HA 0.668 5.213 4.550 -0.008 0.000 0.266 316 Y C 1.677 177.717 175.900 0.235 0.000 1.064 316 Y CA -0.559 57.727 58.100 0.311 0.000 1.251 316 Y CB -0.388 38.362 38.460 0.485 0.000 1.379 316 Y HN 0.024 nan 8.280 nan 0.000 0.569 317 A N 1.455 124.461 122.820 0.309 0.000 2.024 317 A HA -0.191 4.125 4.320 -0.008 0.000 0.220 317 A C 1.493 179.360 177.584 0.472 0.000 1.164 317 A CA 2.085 54.327 52.037 0.341 0.000 0.643 317 A CB -0.669 18.500 19.000 0.281 0.000 0.806 317 A HN 0.571 nan 8.150 nan 0.000 0.451 318 D N -2.066 118.569 120.400 0.392 0.000 2.388 318 D HA 0.058 4.693 4.640 -0.008 0.000 0.221 318 D C 0.894 177.266 176.300 0.120 0.000 1.133 318 D CA 0.136 54.298 54.000 0.270 0.000 0.831 318 D CB 0.043 40.859 40.800 0.025 0.000 0.962 318 D HN 0.359 nan 8.370 nan 0.000 0.502 319 Q N 0.128 119.979 119.800 0.084 0.000 2.157 319 Q HA 0.153 4.489 4.340 -0.008 0.000 0.235 319 Q C 0.741 176.542 176.000 -0.331 0.000 0.803 319 Q CA 0.009 55.816 55.803 0.006 0.000 0.967 319 Q CB 1.564 30.425 28.738 0.205 0.000 1.150 319 Q HN 0.354 nan 8.270 nan 0.000 0.482 320 V N 1.293 120.857 119.914 -0.584 0.000 2.655 320 V HA 0.211 4.326 4.120 -0.008 0.000 0.300 320 V C -2.096 173.405 176.094 -0.988 0.000 1.044 320 V CA -1.410 60.102 62.300 -1.312 0.000 1.095 320 V CB 0.152 31.221 31.823 -1.257 0.000 0.952 320 V HN -0.011 nan 8.190 nan 0.000 0.485 321 P HA 0.173 nan 4.420 nan 0.000 0.235 321 P C -0.016 177.009 177.300 -0.459 0.000 1.765 321 P CA 0.288 63.057 63.100 -0.551 0.000 1.034 321 P CB -0.733 30.739 31.700 -0.379 0.000 1.984 322 T N -0.753 113.472 114.554 -0.548 0.000 2.876 322 T HA 0.634 4.980 4.350 -0.008 0.000 0.289 322 T C -0.805 173.536 174.700 -0.598 0.000 1.014 322 T CA -0.882 60.783 62.100 -0.725 0.000 0.986 322 T CB 1.973 70.043 68.868 -1.329 0.000 1.021 322 T HN 0.042 nan 8.240 nan 0.000 0.458 323 N N 1.656 120.139 118.700 -0.362 0.000 2.367 323 N HA 0.544 5.279 4.740 -0.008 0.000 0.278 323 N C -2.794 172.866 175.510 0.249 0.000 1.117 323 N CA -1.851 51.167 53.050 -0.053 0.000 0.867 323 N CB 2.589 41.062 38.487 -0.023 0.000 1.649 323 N HN 0.366 nan 8.380 nan 0.000 0.479 324 P HA 0.219 nan 4.420 nan 0.000 0.243 324 P C -1.253 176.221 177.300 0.290 0.000 1.672 324 P CA -0.021 63.202 63.100 0.204 0.000 1.000 324 P CB -0.807 30.988 31.700 0.158 0.000 1.562 325 W N 0.033 121.327 121.300 -0.010 0.000 2.975 325 W HA 0.698 5.354 4.660 -0.006 0.000 0.342 325 W C -1.330 175.192 176.519 0.004 0.000 1.168 325 W CA -1.129 56.214 57.345 -0.003 0.000 1.141 325 W CB 1.383 30.790 29.460 -0.088 0.000 1.445 325 W HN -0.376 nan 8.180 nan 0.000 0.560 326 R N 2.428 122.778 120.500 -0.250 0.000 2.673 326 R HA 0.637 4.972 4.340 -0.008 0.000 0.281 326 R C -1.229 174.938 176.300 -0.222 0.000 0.991 326 R CA -0.948 54.904 56.100 -0.413 0.000 0.896 326 R CB 2.097 32.399 30.300 0.003 0.000 1.201 326 R HN 0.793 nan 8.270 nan 0.000 0.457 327 S N 0.296 115.889 115.700 -0.178 0.000 2.971 327 S HA -0.140 4.325 4.470 -0.008 0.000 0.856 327 S C -0.711 173.930 174.600 0.069 0.000 0.951 327 S CA 0.219 58.402 58.200 -0.029 0.000 1.380 327 S CB -0.450 62.700 63.200 -0.085 0.000 0.986 327 S HN 0.862 nan 8.310 nan 0.000 0.235 328 S N 1.240 116.962 115.700 0.037 0.000 2.671 328 S HA 0.873 5.339 4.470 -0.008 0.000 0.299 328 S C -0.072 174.538 174.600 0.018 0.000 1.116 328 S CA -0.097 58.090 58.200 -0.023 0.000 0.912 328 S CB 2.254 65.442 63.200 -0.019 0.000 1.130 328 S HN 1.038 nan 8.310 nan 0.000 0.501 329 T N 1.392 115.951 114.554 0.009 0.000 2.847 329 T HA 0.569 4.915 4.350 -0.008 0.000 0.279 329 T C 0.524 175.320 174.700 0.160 0.000 0.984 329 T CA -0.143 61.982 62.100 0.042 0.000 0.988 329 T CB 0.400 69.238 68.868 -0.050 0.000 1.040 329 T HN 1.035 nan 8.240 nan 0.000 0.528 330 S N 2.162 117.966 115.700 0.173 0.000 2.655 330 S HA 0.525 4.990 4.470 -0.008 0.000 0.265 330 S C 0.315 175.049 174.600 0.223 0.000 1.240 330 S CA -0.970 57.429 58.200 0.331 0.000 0.986 330 S CB 0.087 63.522 63.200 0.393 0.000 0.985 330 S HN 0.632 nan 8.310 nan 0.000 0.562 331 L N 1.051 122.354 121.223 0.133 0.000 2.482 331 L HA 0.350 4.685 4.340 -0.008 0.000 0.273 331 L C 1.039 178.002 176.870 0.155 0.000 1.228 331 L CA -0.443 54.398 54.840 0.000 0.000 0.827 331 L CB 0.020 42.054 42.059 -0.041 0.000 1.099 331 L HN 0.938 nan 8.230 nan 0.000 0.494 332 A N 3.217 126.100 122.820 0.104 0.000 2.407 332 A HA 0.503 4.819 4.320 -0.008 0.000 0.248 332 A C -0.131 177.516 177.584 0.105 0.000 1.082 332 A CA -0.169 51.958 52.037 0.149 0.000 0.785 332 A CB 0.277 19.273 19.000 -0.008 0.000 1.020 332 A HN 0.780 nan 8.150 nan 0.000 0.489 333 R N 1.269 121.895 120.500 0.208 0.000 2.686 333 R HA 0.330 4.665 4.340 -0.008 0.000 0.286 333 R C -0.956 175.340 176.300 -0.007 0.000 0.969 333 R CA -0.947 55.167 56.100 0.024 0.000 0.898 333 R CB 1.500 31.762 30.300 -0.062 0.000 1.183 333 R HN 0.751 nan 8.270 nan 0.000 0.456 334 N N 1.856 120.448 118.700 -0.179 0.000 2.419 334 N HA 0.149 4.884 4.740 -0.008 0.000 0.264 334 N C -1.457 173.921 175.510 -0.221 0.000 1.031 334 N CA -0.011 52.986 53.050 -0.090 0.000 0.951 334 N CB 0.611 39.034 38.487 -0.106 0.000 1.101 334 N HN 0.413 nan 8.380 nan 0.000 0.488 335 Y N 1.183 121.512 120.300 0.048 0.000 2.331 335 Y HA 0.297 4.842 4.550 -0.008 0.000 0.338 335 Y C 0.881 176.794 175.900 0.020 0.000 0.976 335 Y CA -0.472 57.656 58.100 0.046 0.000 1.137 335 Y CB 1.413 39.944 38.460 0.120 0.000 1.172 335 Y HN 0.402 nan 8.280 nan 0.000 0.478 336 T N 0.836 115.437 114.554 0.078 0.000 2.887 336 T HA 0.785 5.131 4.350 -0.008 0.000 0.292 336 T C -1.055 173.650 174.700 0.007 0.000 1.087 336 T CA -1.033 61.089 62.100 0.037 0.000 1.009 336 T CB 1.433 70.300 68.868 -0.002 0.000 1.203 336 T HN 0.423 nan 8.240 nan 0.000 0.518 337 L N 0.864 122.074 121.223 -0.022 0.000 2.329 337 L HA 0.736 5.071 4.340 -0.008 0.000 0.279 337 L C 0.135 176.947 176.870 -0.096 0.000 1.014 337 L CA -0.892 53.909 54.840 -0.066 0.000 0.814 337 L CB 1.820 43.827 42.059 -0.087 0.000 1.257 337 L HN 0.682 nan 8.230 nan 0.000 0.424 338 R N 1.985 122.415 120.500 -0.117 0.000 2.604 338 R HA 0.351 4.687 4.340 -0.008 0.000 0.281 338 R C -1.679 174.548 176.300 -0.121 0.000 1.020 338 R CA -0.728 55.320 56.100 -0.087 0.000 0.899 338 R CB 1.575 31.871 30.300 -0.008 0.000 1.205 338 R HN 0.412 nan 8.270 nan 0.000 0.450 339 Y N 2.582 122.893 120.300 0.018 0.000 2.537 339 Y HA 0.260 4.805 4.550 -0.008 0.000 0.339 339 Y C 0.266 176.157 175.900 -0.015 0.000 1.066 339 Y CA 0.236 58.336 58.100 -0.001 0.000 1.357 339 Y CB 1.175 39.623 38.460 -0.020 0.000 1.175 339 Y HN 0.168 nan 8.280 nan 0.000 0.525 340 V N 3.996 123.981 119.914 0.118 0.000 2.876 340 V HA 0.311 4.426 4.120 -0.008 0.000 0.312 340 V C -0.849 175.289 176.094 0.074 0.000 1.085 340 V CA -1.107 61.246 62.300 0.089 0.000 0.945 340 V CB 1.619 33.508 31.823 0.110 0.000 1.017 340 V HN 0.736 nan 8.190 nan 0.000 0.428 341 H N 3.247 122.397 119.070 0.133 0.000 3.082 341 H HA 0.169 4.721 4.556 -0.008 0.000 0.275 341 H C 1.128 176.551 175.328 0.159 0.000 1.032 341 H CA 0.840 56.972 56.048 0.139 0.000 1.477 341 H CB 1.090 30.931 29.762 0.133 0.000 1.520 341 H HN 0.776 nan 8.280 nan 0.000 0.521 342 T N 2.185 116.900 114.554 0.268 0.000 3.035 342 T HA -0.040 4.306 4.350 -0.008 0.000 0.259 342 T C 0.466 175.346 174.700 0.301 0.000 1.078 342 T CA 0.673 62.929 62.100 0.260 0.000 1.132 342 T CB -0.025 68.959 68.868 0.194 0.000 0.900 342 T HN 0.714 nan 8.240 nan 0.000 0.480 343 N N -0.378 118.493 118.700 0.285 0.000 2.831 343 N HA 0.621 5.357 4.740 -0.008 0.000 0.276 343 N C 0.900 176.561 175.510 0.251 0.000 1.416 343 N CA -0.309 52.900 53.050 0.265 0.000 0.799 343 N CB 0.447 39.045 38.487 0.185 0.000 1.554 343 N HN -0.124 nan 8.380 nan 0.000 0.541 344 A N -0.898 122.019 122.820 0.163 0.000 2.024 344 A HA -0.165 4.150 4.320 -0.008 0.000 0.220 344 A C 1.633 179.242 177.584 0.041 0.000 1.164 344 A CA 1.496 53.560 52.037 0.044 0.000 0.643 344 A CB -0.692 18.337 19.000 0.047 0.000 0.806 344 A HN 0.699 nan 8.150 nan 0.000 0.451 345 E N -1.687 118.610 120.200 0.162 0.000 2.389 345 E HA 0.027 4.373 4.350 -0.008 0.000 0.199 345 E C 1.429 178.176 176.600 0.246 0.000 0.978 345 E CA 1.008 57.509 56.400 0.169 0.000 0.912 345 E CB 0.332 30.094 29.700 0.103 0.000 0.907 345 E HN 0.580 nan 8.360 nan 0.000 0.494 346 T N -0.017 114.717 114.554 0.300 0.000 3.146 346 T HA 0.132 4.478 4.350 -0.008 0.000 0.235 346 T C -0.299 174.417 174.700 0.028 0.000 0.985 346 T CA -0.038 62.155 62.100 0.155 0.000 1.265 346 T CB 0.723 69.670 68.868 0.131 0.000 0.946 346 T HN -0.052 nan 8.240 nan 0.000 0.418 347 K N 1.214 121.600 120.400 -0.023 0.000 6.556 347 K HA -0.093 4.222 4.320 -0.008 0.000 0.677 347 K C -1.354 175.301 176.600 0.092 0.000 2.523 347 K CA 0.136 56.375 56.287 -0.081 0.000 1.914 347 K CB -0.275 32.100 32.500 -0.207 0.000 2.518 347 K HN 0.336 nan 8.250 nan 0.000 0.185 348 Q N 1.881 121.765 119.800 0.140 0.000 2.309 348 Q HA 0.284 4.620 4.340 -0.008 0.000 0.273 348 Q C -0.635 175.422 176.000 0.095 0.000 1.040 348 Q CA -0.857 55.036 55.803 0.150 0.000 0.834 348 Q CB 2.266 31.073 28.738 0.114 0.000 1.345 348 Q HN 0.555 nan 8.270 nan 0.000 0.414 349 L N 2.844 124.068 121.223 0.001 0.000 2.638 349 L HA 0.114 4.449 4.340 -0.008 0.000 0.273 349 L C -0.504 176.329 176.870 -0.062 0.000 1.147 349 L CA 0.946 55.621 54.840 -0.275 0.000 0.941 349 L CB 0.122 41.960 42.059 -0.368 0.000 1.251 349 L HN 0.536 nan 8.230 nan 0.000 0.479 350 T N 4.701 119.231 114.554 -0.039 0.000 2.855 350 T HA 0.301 4.647 4.350 -0.008 0.000 0.281 350 T C -0.307 174.411 174.700 0.030 0.000 1.007 350 T CA -0.626 61.519 62.100 0.075 0.000 1.009 350 T CB 2.017 70.945 68.868 0.099 0.000 0.983 350 T HN 0.292 nan 8.240 nan 0.000 0.455 351 L N 3.592 124.829 121.223 0.024 0.000 2.418 351 L HA 0.384 4.719 4.340 -0.008 0.000 0.274 351 L C -0.911 175.926 176.870 -0.054 0.000 1.135 351 L CA 0.046 54.796 54.840 -0.151 0.000 0.870 351 L CB -0.329 41.322 42.059 -0.680 0.000 1.154 351 L HN 0.463 nan 8.230 nan 0.000 0.462 352 I N 4.975 125.523 120.570 -0.036 0.000 2.412 352 I HA 0.417 4.582 4.170 -0.008 0.000 0.296 352 I C -0.224 175.812 176.117 -0.134 0.000 0.987 352 I CA 0.018 61.288 61.300 -0.050 0.000 1.180 352 I CB 1.691 39.667 38.000 -0.039 0.000 1.340 352 I HN 0.705 nan 8.210 nan 0.000 0.455 353 Q N 5.450 125.128 119.800 -0.204 0.000 2.331 353 Q HA 0.626 4.962 4.340 -0.008 0.000 0.272 353 Q C -1.716 174.139 176.000 -0.242 0.000 1.062 353 Q CA -1.020 54.514 55.803 -0.448 0.000 0.806 353 Q CB 2.601 30.899 28.738 -0.733 0.000 1.312 353 Q HN 0.464 nan 8.270 nan 0.000 0.431 354 N N 2.285 120.769 118.700 -0.360 0.000 2.242 354 N HA 0.524 5.259 4.740 -0.008 0.000 0.292 354 N C -2.842 172.363 175.510 -0.508 0.000 1.125 354 N CA -1.380 51.381 53.050 -0.481 0.000 0.783 354 N CB 2.665 40.912 38.487 -0.400 0.000 1.558 354 N HN 0.490 nan 8.380 nan 0.000 0.472 355 P HA 0.128 nan 4.420 nan 0.000 0.274 355 P C 0.693 177.801 177.300 -0.319 0.000 1.231 355 P CA -0.320 62.522 63.100 -0.430 0.000 0.790 355 P CB 1.407 32.833 31.700 -0.455 0.000 0.951 356 V N 3.230 123.016 119.914 -0.213 0.000 2.251 356 V HA -0.113 4.002 4.120 -0.008 0.000 0.233 356 V C 1.138 177.114 176.094 -0.197 0.000 1.041 356 V CA 0.618 62.793 62.300 -0.209 0.000 1.000 356 V CB -1.238 30.451 31.823 -0.224 0.000 0.643 356 V HN 0.504 nan 8.190 nan 0.000 0.460 357 L N 0.221 121.341 121.223 -0.171 0.000 3.010 357 L HA -0.146 4.190 4.340 -0.008 0.000 0.571 357 L C -1.643 175.152 176.870 -0.125 0.000 1.001 357 L CA -0.562 54.195 54.840 -0.139 0.000 1.301 357 L CB -1.087 40.903 42.059 -0.116 0.000 1.494 357 L HN 0.300 nan 8.230 nan 0.000 0.722 358 P HA -0.160 nan 4.420 nan 0.000 0.218 358 P C 0.240 177.502 177.300 -0.064 0.000 1.146 358 P CA 1.540 64.593 63.100 -0.078 0.000 0.813 358 P CB 0.058 31.729 31.700 -0.049 0.000 0.778 359 D N -0.870 119.493 120.400 -0.063 0.000 4.075 359 D HA -0.135 4.500 4.640 -0.008 0.000 0.228 359 D C -0.053 176.225 176.300 -0.037 0.000 1.057 359 D CA 1.113 55.083 54.000 -0.051 0.000 1.199 359 D CB -0.987 39.777 40.800 -0.060 0.000 0.777 359 D HN 0.238 nan 8.370 nan 0.000 0.388 360 S N -0.413 115.269 115.700 -0.029 0.000 2.408 360 S HA -0.131 4.334 4.470 -0.008 0.000 0.243 360 S C -0.009 174.588 174.600 -0.006 0.000 1.518 360 S CA -0.016 58.172 58.200 -0.021 0.000 0.931 360 S CB -2.389 60.798 63.200 -0.022 0.000 1.227 360 S HN 0.743 nan 8.310 nan 0.000 0.761 361 I N 1.933 122.497 120.570 -0.010 0.000 2.612 361 I HA 0.456 4.621 4.170 -0.008 0.000 0.295 361 I C 0.772 176.879 176.117 -0.016 0.000 1.011 361 I CA -0.657 60.642 61.300 -0.001 0.000 1.326 361 I CB 0.150 38.132 38.000 -0.030 0.000 1.427 361 I HN 0.248 nan 8.210 nan 0.000 0.537 362 N N 2.629 121.320 118.700 -0.015 0.000 2.452 362 N HA 0.205 4.940 4.740 -0.008 0.000 0.266 362 N C -1.065 174.410 175.510 -0.059 0.000 1.209 362 N CA -0.266 52.762 53.050 -0.037 0.000 0.929 362 N CB 0.754 39.218 38.487 -0.038 0.000 1.063 362 N HN 0.363 nan 8.380 nan 0.000 0.472 363 V N 4.446 124.323 119.914 -0.063 0.000 2.304 363 V HA 0.031 4.146 4.120 -0.008 0.000 0.269 363 V C 1.390 177.415 176.094 -0.116 0.000 1.036 363 V CA -0.335 61.915 62.300 -0.084 0.000 0.840 363 V CB 1.054 32.841 31.823 -0.060 0.000 1.036 363 V HN 0.535 nan 8.190 nan 0.000 0.466 364 V N 3.333 123.151 119.914 -0.160 0.000 2.214 364 V HA -0.091 4.024 4.120 -0.008 0.000 0.245 364 V C 0.900 176.863 176.094 -0.218 0.000 1.047 364 V CA 2.234 64.428 62.300 -0.177 0.000 0.998 364 V CB -0.296 31.409 31.823 -0.198 0.000 0.633 364 V HN 1.098 nan 8.190 nan 0.000 0.446 365 D N -1.221 118.948 120.400 -0.385 0.000 2.692 365 D HA 0.387 5.023 4.640 -0.008 0.000 0.303 365 D C -0.944 175.019 176.300 -0.562 0.000 1.278 365 D CA -0.709 53.059 54.000 -0.386 0.000 0.852 365 D CB 2.374 43.015 40.800 -0.265 0.000 1.375 365 D HN 0.470 nan 8.370 nan 0.000 0.453 366 K N -0.927 119.327 120.400 -0.243 0.000 2.318 366 K HA 0.792 5.108 4.320 -0.008 0.000 0.265 366 K C -1.461 175.326 176.600 0.313 0.000 1.055 366 K CA -1.143 55.168 56.287 0.040 0.000 0.896 366 K CB 1.959 34.492 32.500 0.055 0.000 1.479 366 K HN 0.386 nan 8.250 nan 0.000 0.449 367 L N 0.537 121.946 121.223 0.310 0.000 2.528 367 L HA 0.479 4.814 4.340 -0.008 0.000 0.267 367 L C -1.768 175.192 176.870 0.150 0.000 0.961 367 L CA -0.387 54.592 54.840 0.232 0.000 0.866 367 L CB 1.773 43.963 42.059 0.219 0.000 1.248 367 L HN 0.623 nan 8.230 nan 0.000 0.404 368 K N 4.625 125.089 120.400 0.107 0.000 2.207 368 K HA 0.673 4.988 4.320 -0.008 0.000 0.255 368 K C -1.264 175.373 176.600 0.061 0.000 0.941 368 K CA -0.940 55.395 56.287 0.081 0.000 0.825 368 K CB 2.545 35.085 32.500 0.067 0.000 1.119 368 K HN 0.489 nan 8.250 nan 0.000 0.430 369 K N 1.518 121.950 120.400 0.053 0.000 2.536 369 K HA 0.403 4.718 4.320 -0.008 0.000 0.269 369 K C -1.264 175.357 176.600 0.035 0.000 0.965 369 K CA -0.838 55.471 56.287 0.038 0.000 0.860 369 K CB 2.357 34.874 32.500 0.028 0.000 1.423 369 K HN 0.270 nan 8.250 nan 0.000 0.438 370 K N 1.136 121.552 120.400 0.027 0.000 2.385 370 K HA 0.259 4.574 4.320 -0.008 0.000 0.248 370 K C -0.892 175.721 176.600 0.021 0.000 0.955 370 K CA -0.868 55.435 56.287 0.026 0.000 0.816 370 K CB 1.598 34.112 32.500 0.024 0.000 1.250 370 K HN 0.816 nan 8.250 nan 0.000 0.434 371 N N -0.114 118.600 118.700 0.023 0.000 2.823 371 N HA -0.216 4.519 4.740 -0.008 0.000 0.287 371 N C -0.022 175.496 175.510 0.014 0.000 1.007 371 N CA -0.076 52.987 53.050 0.021 0.000 0.840 371 N CB -1.217 37.282 38.487 0.020 0.000 0.944 371 N HN 0.240 nan 8.380 nan 0.000 0.590 372 V N -1.405 118.515 119.914 0.009 0.000 2.461 372 V HA 0.199 4.315 4.120 -0.008 0.000 0.275 372 V C 0.331 176.423 176.094 -0.004 0.000 1.047 372 V CA -0.745 61.554 62.300 -0.000 0.000 0.955 372 V CB 1.220 33.038 31.823 -0.008 0.000 0.988 372 V HN 0.274 nan 8.190 nan 0.000 0.471 373 K N 5.918 126.319 120.400 0.001 0.000 2.250 373 K HA 0.422 4.738 4.320 -0.008 0.000 0.280 373 K C -0.622 175.981 176.600 0.004 0.000 1.098 373 K CA -0.536 55.755 56.287 0.005 0.000 0.916 373 K CB 1.242 33.746 32.500 0.007 0.000 1.209 373 K HN 0.726 nan 8.250 nan 0.000 0.461 374 L N 3.629 124.854 121.223 0.003 0.000 2.360 374 L HA 0.164 4.499 4.340 -0.008 0.000 0.276 374 L C 0.045 176.938 176.870 0.038 0.000 1.121 374 L CA 0.752 55.593 54.840 0.000 0.000 0.845 374 L CB 0.686 42.714 42.059 -0.051 0.000 1.143 374 L HN 0.730 nan 8.230 nan 0.000 0.452 375 T N 0.246 114.817 114.554 0.029 0.000 2.887 375 T HA 0.286 4.631 4.350 -0.008 0.000 0.292 375 T C 0.643 175.363 174.700 0.034 0.000 1.087 375 T CA -0.583 61.541 62.100 0.039 0.000 1.009 375 T CB 1.004 69.887 68.868 0.025 0.000 1.203 375 T HN 0.440 nan 8.240 nan 0.000 0.518 376 N N 0.015 118.738 118.700 0.038 0.000 2.443 376 N HA -0.056 4.679 4.740 -0.008 0.000 0.184 376 N C 1.416 176.933 175.510 0.012 0.000 1.037 376 N CA 1.118 54.184 53.050 0.027 0.000 0.896 376 N CB -0.185 38.319 38.487 0.029 0.000 0.959 376 N HN 0.521 nan 8.380 nan 0.000 0.442 377 K N -0.376 120.031 120.400 0.011 0.000 2.166 377 K HA 0.030 4.345 4.320 -0.008 0.000 0.201 377 K C -0.058 176.541 176.600 -0.001 0.000 1.052 377 K CA 0.658 56.947 56.287 0.004 0.000 0.969 377 K CB 0.219 32.722 32.500 0.005 0.000 0.761 377 K HN 0.185 nan 8.250 nan 0.000 0.459 378 K N 1.779 122.178 120.400 -0.001 0.000 2.530 378 K HA 0.367 4.683 4.320 -0.008 0.000 0.230 378 K C -3.104 173.488 176.600 -0.014 0.000 1.002 378 K CA -2.026 54.256 56.287 -0.008 0.000 1.014 378 K CB 1.302 33.798 32.500 -0.007 0.000 1.286 378 K HN -0.181 nan 8.250 nan 0.000 0.480 379 P HA 0.263 nan 4.420 nan 0.000 0.274 379 P C -0.103 177.172 177.300 -0.043 0.000 1.246 379 P CA -0.611 62.471 63.100 -0.031 0.000 0.795 379 P CB 0.577 32.255 31.700 -0.036 0.000 1.006 380 I N 1.293 121.829 120.570 -0.056 0.000 2.315 380 I HA 0.309 4.475 4.170 -0.008 0.000 0.291 380 I C 0.554 176.612 176.117 -0.098 0.000 1.006 380 I CA -0.280 60.980 61.300 -0.067 0.000 1.265 380 I CB -0.034 37.929 38.000 -0.063 0.000 1.387 380 I HN 0.266 nan 8.210 nan 0.000 0.475 381 K N 3.926 124.262 120.400 -0.107 0.000 2.397 381 K HA 0.413 4.728 4.320 -0.008 0.000 0.253 381 K C -0.277 176.195 176.600 -0.214 0.000 0.932 381 K CA -0.679 55.517 56.287 -0.152 0.000 0.795 381 K CB 2.325 34.753 32.500 -0.120 0.000 1.159 381 K HN 0.431 nan 8.250 nan 0.000 0.424 382 T N 1.849 116.201 114.554 -0.337 0.000 2.916 382 T HA 0.033 4.378 4.350 -0.008 0.000 0.303 382 T C 0.036 174.453 174.700 -0.471 0.000 1.025 382 T CA 0.359 62.089 62.100 -0.618 0.000 1.142 382 T CB -0.012 68.343 68.868 -0.855 0.000 0.947 382 T HN 0.452 nan 8.240 nan 0.000 0.544 383 N N 2.455 120.878 118.700 -0.463 0.000 2.733 383 N HA 0.281 5.017 4.740 -0.008 0.000 0.271 383 N C -0.290 175.274 175.510 0.090 0.000 1.720 383 N CA -0.301 52.667 53.050 -0.136 0.000 0.803 383 N CB -0.117 38.345 38.487 -0.043 0.000 1.208 383 N HN 0.319 nan 8.380 nan 0.000 0.498 384 F N 1.193 121.190 119.950 0.079 0.000 2.446 384 F HA 0.347 4.870 4.527 -0.006 0.000 0.292 384 F C 0.979 176.829 175.800 0.083 0.000 1.096 384 F CA 0.304 58.361 58.000 0.096 0.000 1.438 384 F CB -0.261 38.832 39.000 0.155 0.000 1.107 384 F HN 0.252 nan 8.300 nan 0.000 0.546 385 K N 0.842 121.403 120.400 0.269 0.000 6.826 385 K HA -0.068 4.248 4.320 -0.008 0.000 0.788 385 K C -0.081 176.625 176.600 0.177 0.000 2.287 385 K CA 0.574 56.970 56.287 0.183 0.000 1.704 385 K CB -1.168 31.412 32.500 0.134 0.000 2.053 385 K HN 0.788 nan 8.250 nan 0.000 0.296 386 G N 1.598 110.502 108.800 0.173 0.000 2.757 386 G HA2 -0.081 3.874 3.960 -0.008 0.000 0.686 386 G HA3 -0.081 3.874 3.960 -0.008 0.000 0.686 386 G C -0.712 174.264 174.900 0.127 0.000 1.452 386 G CA 0.064 45.250 45.100 0.143 0.000 0.922 386 G HN 1.461 nan 8.290 nan 0.000 0.588 387 S N 0.202 115.925 115.700 0.039 0.000 2.720 387 S HA 0.693 5.158 4.470 -0.008 0.000 0.278 387 S C 0.188 174.791 174.600 0.005 0.000 1.172 387 S CA 0.399 58.598 58.200 -0.002 0.000 1.019 387 S CB 1.228 64.253 63.200 -0.292 0.000 1.049 387 S HN 1.245 nan 8.310 nan 0.000 0.483 388 T N 3.895 118.368 114.554 -0.135 0.000 2.919 388 T HA 0.295 4.641 4.350 -0.008 0.000 0.302 388 T C 1.732 176.290 174.700 -0.236 0.000 1.031 388 T CA 0.311 62.284 62.100 -0.211 0.000 1.127 388 T CB 0.971 69.676 68.868 -0.272 0.000 0.952 388 T HN 0.827 nan 8.240 nan 0.000 0.540 389 G N 1.883 110.561 108.800 -0.202 0.000 2.499 389 G HA2 -0.088 3.868 3.960 -0.008 0.000 0.221 389 G HA3 -0.088 3.868 3.960 -0.008 0.000 0.221 389 G C 0.475 175.388 174.900 0.021 0.000 1.109 389 G CA 0.444 45.545 45.100 0.002 0.000 0.749 389 G HN 0.552 nan 8.290 nan 0.000 0.568 390 L N -0.100 120.989 121.223 -0.225 0.000 2.289 390 L HA 0.757 5.092 4.340 -0.008 0.000 0.285 390 L C -1.310 175.301 176.870 -0.432 0.000 1.049 390 L CA -0.977 53.764 54.840 -0.164 0.000 0.804 390 L CB 0.894 42.885 42.059 -0.113 0.000 1.195 390 L HN -0.022 nan 8.230 nan 0.000 0.428 391 F N 2.230 122.250 119.950 0.116 0.000 2.626 391 F HA 0.568 5.091 4.527 -0.007 0.000 0.311 391 F C -0.783 175.062 175.800 0.074 0.000 1.088 391 F CA -0.782 57.298 58.000 0.134 0.000 0.949 391 F CB 1.986 41.109 39.000 0.205 0.000 1.322 391 F HN 0.612 nan 8.300 nan 0.000 0.461 392 D N 0.196 120.753 120.400 0.262 0.000 2.645 392 D HA 0.633 5.268 4.640 -0.008 0.000 0.228 392 D C -1.446 174.900 176.300 0.078 0.000 1.148 392 D CA -0.612 53.365 54.000 -0.039 0.000 0.860 392 D CB 1.802 42.498 40.800 -0.173 0.000 1.548 392 D HN 0.301 nan 8.370 nan 0.000 0.460 393 F N -0.603 119.262 119.950 -0.142 0.000 2.561 393 F HA 0.642 5.165 4.527 -0.008 0.000 0.313 393 F C -1.063 174.710 175.800 -0.044 0.000 1.126 393 F CA -0.951 57.022 58.000 -0.045 0.000 0.918 393 F CB 1.845 40.825 39.000 -0.035 0.000 1.199 393 F HN 0.276 nan 8.300 nan 0.000 0.444 394 N N 3.880 122.719 118.700 0.232 0.000 2.461 394 N HA 0.598 5.333 4.740 -0.008 0.000 0.284 394 N C -1.844 173.813 175.510 0.244 0.000 1.049 394 N CA -0.405 52.806 53.050 0.268 0.000 0.889 394 N CB 1.612 40.289 38.487 0.317 0.000 1.365 394 N HN 0.802 nan 8.380 nan 0.000 0.499 395 I N 1.511 122.242 120.570 0.269 0.000 2.533 395 I HA 0.316 4.482 4.170 -0.008 0.000 0.290 395 I C -0.237 176.056 176.117 0.292 0.000 1.056 395 I CA -0.575 60.889 61.300 0.274 0.000 1.057 395 I CB 2.420 40.614 38.000 0.323 0.000 1.240 395 I HN 0.232 nan 8.210 nan 0.000 0.423 396 T N 6.219 120.905 114.554 0.221 0.000 2.797 396 T HA 0.693 5.038 4.350 -0.008 0.000 0.279 396 T C -0.760 174.071 174.700 0.218 0.000 0.991 396 T CA -0.384 61.812 62.100 0.160 0.000 0.979 396 T CB 0.822 69.727 68.868 0.062 0.000 0.943 396 T HN 0.410 nan 8.240 nan 0.000 0.444 397 F N 0.137 120.130 119.950 0.071 0.000 2.599 397 F HA 0.783 5.305 4.527 -0.008 0.000 0.311 397 F C -0.805 175.048 175.800 0.088 0.000 1.076 397 F CA -1.374 56.652 58.000 0.043 0.000 0.937 397 F CB 1.505 40.486 39.000 -0.031 0.000 1.282 397 F HN 0.159 nan 8.300 nan 0.000 0.460 398 K N 2.092 122.627 120.400 0.224 0.000 2.182 398 K HA 0.624 4.939 4.320 -0.008 0.000 0.262 398 K C -1.352 175.405 176.600 0.262 0.000 0.957 398 K CA -1.129 55.241 56.287 0.138 0.000 0.842 398 K CB 2.549 35.089 32.500 0.067 0.000 1.099 398 K HN 0.591 nan 8.250 nan 0.000 0.438 399 V N 5.121 125.162 119.914 0.212 0.000 2.353 399 V HA 0.096 4.212 4.120 -0.008 0.000 0.264 399 V C 0.030 176.113 176.094 -0.019 0.000 1.049 399 V CA -0.693 61.657 62.300 0.084 0.000 0.896 399 V CB 0.300 32.232 31.823 0.181 0.000 1.025 399 V HN 0.531 nan 8.190 nan 0.000 0.475 400 L N 4.227 125.392 121.223 -0.097 0.000 2.466 400 L HA 0.311 4.647 4.340 -0.008 0.000 0.257 400 L C 0.661 177.482 176.870 -0.081 0.000 1.189 400 L CA -0.029 54.769 54.840 -0.069 0.000 0.813 400 L CB 0.009 42.026 42.059 -0.070 0.000 1.118 400 L HN 0.538 nan 8.230 nan 0.000 0.471 401 N N 1.474 120.146 118.700 -0.046 0.000 2.399 401 N HA 0.439 5.175 4.740 -0.008 0.000 0.259 401 N C -1.168 174.309 175.510 -0.054 0.000 1.160 401 N CA 0.038 53.064 53.050 -0.041 0.000 0.946 401 N CB 0.085 38.562 38.487 -0.018 0.000 1.156 401 N HN 0.335 nan 8.380 nan 0.000 0.489 402 L N 2.681 123.860 121.223 -0.074 0.000 2.588 402 L HA 0.328 4.664 4.340 -0.008 0.000 0.263 402 L C -1.123 175.706 176.870 -0.067 0.000 0.935 402 L CA -0.424 54.375 54.840 -0.068 0.000 0.891 402 L CB 1.493 43.502 42.059 -0.084 0.000 1.318 402 L HN 0.471 nan 8.230 nan 0.000 0.409 403 N N 3.438 122.116 118.700 -0.038 0.000 2.452 403 N HA 0.510 5.245 4.740 -0.008 0.000 0.266 403 N C -1.175 174.326 175.510 -0.015 0.000 1.175 403 N CA -0.130 52.905 53.050 -0.024 0.000 0.945 403 N CB 1.141 39.622 38.487 -0.010 0.000 1.063 403 N HN 0.336 nan 8.380 nan 0.000 0.472 404 V N 1.660 121.571 119.914 -0.005 0.000 2.841 404 V HA 0.191 4.306 4.120 -0.008 0.000 0.310 404 V C -0.045 176.094 176.094 0.074 0.000 1.090 404 V CA -0.947 61.374 62.300 0.035 0.000 0.930 404 V CB 2.026 33.870 31.823 0.035 0.000 1.014 404 V HN 0.783 nan 8.190 nan 0.000 0.425 405 S N 4.268 120.013 115.700 0.074 0.000 2.558 405 S HA 0.119 4.584 4.470 -0.008 0.000 0.288 405 S C -1.592 173.062 174.600 0.091 0.000 1.318 405 S CA -0.426 57.812 58.200 0.062 0.000 1.056 405 S CB 0.440 63.663 63.200 0.039 0.000 0.853 405 S HN 0.632 nan 8.310 nan 0.000 0.505 406 P HA -0.102 nan 4.420 nan 0.000 0.218 406 P C 1.340 178.629 177.300 -0.018 0.000 1.154 406 P CA 1.898 65.026 63.100 0.047 0.000 0.872 406 P CB -0.388 31.317 31.700 0.009 0.000 0.790 407 G N -2.246 106.524 108.800 -0.051 0.000 3.056 407 G HA2 0.204 4.160 3.960 -0.008 0.000 0.175 407 G HA3 0.204 4.160 3.960 -0.008 0.000 0.175 407 G C 0.502 175.297 174.900 -0.176 0.000 1.894 407 G CA 0.815 45.836 45.100 -0.132 0.000 0.910 407 G HN -0.005 nan 8.290 nan 0.000 0.462 408 K N -2.282 118.065 120.400 -0.088 0.000 7.960 408 K HA -0.225 4.090 4.320 -0.008 0.000 0.369 408 K C 0.700 177.237 176.600 -0.104 0.000 0.705 408 K CA 2.423 58.683 56.287 -0.045 0.000 1.297 408 K CB -1.712 30.831 32.500 0.071 0.000 0.774 408 K HN 1.315 nan 8.250 nan 0.000 0.974 409 T N -0.463 113.989 114.554 -0.169 0.000 5.326 409 T HA 0.036 4.381 4.350 -0.008 0.000 0.149 409 T C -1.531 173.157 174.700 -0.020 0.000 0.596 409 T CA 0.149 62.161 62.100 -0.147 0.000 0.455 409 T CB -1.192 67.634 68.868 -0.069 0.000 0.579 409 T HN 0.458 nan 8.240 nan 0.000 0.233 410 H N 1.696 120.832 119.070 0.111 0.000 3.199 410 H HA 0.011 4.562 4.556 -0.008 0.000 0.267 410 H C 1.002 176.321 175.328 -0.016 0.000 0.848 410 H CA 1.230 57.436 56.048 0.263 0.000 1.426 410 H CB -0.987 29.025 29.762 0.416 0.000 1.350 410 H HN 0.718 nan 8.280 nan 0.000 0.527 411 F N 1.816 121.704 119.950 -0.104 0.000 1.949 411 F HA -0.279 4.243 4.527 -0.008 0.000 0.432 411 F C -0.976 174.638 175.800 -0.310 0.000 0.723 411 F CA 0.110 57.897 58.000 -0.356 0.000 0.973 411 F CB -0.070 38.514 39.000 -0.693 0.000 0.801 411 F HN 0.495 nan 8.300 nan 0.000 0.541 412 D N 5.611 125.843 120.400 -0.280 0.000 2.457 412 D HA 0.548 5.184 4.640 -0.008 0.000 0.240 412 D C -0.531 175.636 176.300 -0.222 0.000 1.041 412 D CA -0.480 53.305 54.000 -0.358 0.000 0.861 412 D CB 1.868 42.567 40.800 -0.169 0.000 1.394 412 D HN 0.776 nan 8.370 nan 0.000 0.473 413 I N 0.077 120.467 120.570 -0.301 0.000 2.336 413 I HA 0.432 4.597 4.170 -0.008 0.000 0.292 413 I C -1.651 174.278 176.117 -0.313 0.000 0.991 413 I CA -0.327 60.792 61.300 -0.301 0.000 1.227 413 I CB 0.624 38.361 38.000 -0.439 0.000 1.366 413 I HN 0.298 nan 8.210 nan 0.000 0.466 414 L N 7.702 128.766 121.223 -0.266 0.000 2.296 414 L HA 0.544 4.879 4.340 -0.008 0.000 0.286 414 L C -0.528 176.186 176.870 -0.261 0.000 1.023 414 L CA -0.544 54.162 54.840 -0.223 0.000 0.812 414 L CB 1.428 43.394 42.059 -0.155 0.000 1.223 414 L HN 0.577 nan 8.230 nan 0.000 0.421 415 I N 3.956 124.374 120.570 -0.253 0.000 2.306 415 I HA 0.243 4.408 4.170 -0.008 0.000 0.288 415 I C -0.280 175.734 176.117 -0.171 0.000 1.036 415 I CA -0.190 60.959 61.300 -0.251 0.000 1.221 415 I CB 0.515 38.355 38.000 -0.267 0.000 1.385 415 I HN 0.599 nan 8.210 nan 0.000 0.472 416 N N 4.384 122.996 118.700 -0.148 0.000 2.456 416 N HA 0.378 5.113 4.740 -0.008 0.000 0.296 416 N C -0.171 175.324 175.510 -0.025 0.000 1.102 416 N CA -0.409 52.590 53.050 -0.085 0.000 0.924 416 N CB 2.003 40.433 38.487 -0.095 0.000 1.186 416 N HN 0.559 nan 8.380 nan 0.000 0.492 417 S N 0.163 115.857 115.700 -0.009 0.000 2.686 417 S HA 0.204 4.669 4.470 -0.008 0.000 0.270 417 S C 0.214 174.726 174.600 -0.147 0.000 1.194 417 S CA -0.794 57.400 58.200 -0.011 0.000 0.990 417 S CB 0.387 63.578 63.200 -0.015 0.000 1.029 417 S HN 0.525 nan 8.310 nan 0.000 0.560 418 Q N -0.097 119.435 119.800 -0.446 0.000 2.479 418 Q HA 0.144 4.480 4.340 -0.008 0.000 0.267 418 Q C -0.392 175.420 176.000 -0.314 0.000 1.071 418 Q CA 0.107 55.511 55.803 -0.665 0.000 0.935 418 Q CB -0.077 28.046 28.738 -1.025 0.000 1.295 418 Q HN 0.752 nan 8.270 nan 0.000 0.476 419 E N 0.660 120.715 120.200 -0.241 0.000 2.311 419 E HA 0.162 4.508 4.350 -0.008 0.000 0.198 419 E C -0.558 175.968 176.600 -0.123 0.000 1.115 419 E CA -0.201 56.112 56.400 -0.145 0.000 1.140 419 E CB 0.149 29.785 29.700 -0.107 0.000 1.204 419 E HN 0.385 nan 8.360 nan 0.000 0.446 420 L N 1.357 122.492 121.223 -0.146 0.000 2.416 420 L HA 0.074 4.410 4.340 -0.008 0.000 0.272 420 L C 0.699 177.518 176.870 -0.085 0.000 1.161 420 L CA -0.104 54.669 54.840 -0.112 0.000 0.845 420 L CB 0.324 42.308 42.059 -0.124 0.000 1.119 420 L HN 0.304 nan 8.230 nan 0.000 0.464 421 N N 1.728 120.389 118.700 -0.064 0.000 2.862 421 N HA -0.198 4.537 4.740 -0.008 0.000 0.248 421 N C 0.483 175.968 175.510 -0.042 0.000 1.116 421 N CA 0.929 53.949 53.050 -0.050 0.000 0.727 421 N CB -0.972 37.484 38.487 -0.051 0.000 1.083 421 N HN 0.818 nan 8.380 nan 0.000 0.555 422 S N -3.051 112.623 115.700 -0.043 0.000 3.533 422 S HA -0.221 4.244 4.470 -0.008 0.000 0.347 422 S C 0.053 174.632 174.600 -0.036 0.000 1.101 422 S CA 1.248 59.426 58.200 -0.037 0.000 1.009 422 S CB -2.507 60.675 63.200 -0.029 0.000 0.916 422 S HN 1.970 nan 8.310 nan 0.000 0.496 423 S N -1.829 113.846 115.700 -0.042 0.000 2.570 423 S HA 0.786 5.251 4.470 -0.008 0.000 0.270 423 S C -0.900 173.672 174.600 -0.048 0.000 1.149 423 S CA -0.283 57.895 58.200 -0.037 0.000 0.837 423 S CB 1.998 65.182 63.200 -0.027 0.000 1.124 423 S HN 1.489 nan 8.310 nan 0.000 0.465 424 V N 1.719 121.609 119.914 -0.041 0.000 2.483 424 V HA 0.517 4.632 4.120 -0.008 0.000 0.297 424 V C -1.582 174.497 176.094 -0.025 0.000 1.027 424 V CA -0.492 61.779 62.300 -0.048 0.000 0.855 424 V CB 1.423 33.211 31.823 -0.058 0.000 0.995 424 V HN 1.006 nan 8.190 nan 0.000 0.424 425 D N 4.236 124.629 120.400 -0.013 0.000 2.302 425 D HA 0.644 5.280 4.640 -0.008 0.000 0.248 425 D C -0.183 176.126 176.300 0.015 0.000 1.094 425 D CA 0.468 54.480 54.000 0.020 0.000 0.897 425 D CB 1.657 42.491 40.800 0.056 0.000 1.200 425 D HN 0.796 nan 8.370 nan 0.000 0.429 426 S N 0.497 116.204 115.700 0.012 0.000 2.533 426 S HA 0.685 5.150 4.470 -0.008 0.000 0.271 426 S C -0.464 174.116 174.600 -0.034 0.000 1.143 426 S CA -1.046 57.137 58.200 -0.029 0.000 0.891 426 S CB 0.689 63.858 63.200 -0.052 0.000 1.105 426 S HN 0.451 nan 8.310 nan 0.000 0.468 427 I N -0.747 119.756 120.570 -0.111 0.000 2.822 427 I HA 0.780 4.946 4.170 -0.008 0.000 0.312 427 I C -0.562 175.481 176.117 -0.123 0.000 1.011 427 I CA -1.011 60.220 61.300 -0.115 0.000 1.105 427 I CB 1.659 39.521 38.000 -0.230 0.000 1.291 427 I HN 0.768 nan 8.210 nan 0.000 0.474 428 K N 3.445 123.799 120.400 -0.076 0.000 2.443 428 K HA 0.693 5.009 4.320 -0.008 0.000 0.252 428 K C -1.852 174.698 176.600 -0.084 0.000 0.933 428 K CA -0.556 55.684 56.287 -0.077 0.000 0.792 428 K CB 1.859 34.356 32.500 -0.006 0.000 1.185 428 K HN 0.676 nan 8.250 nan 0.000 0.425 429 I N 3.010 123.472 120.570 -0.181 0.000 2.439 429 I HA 0.492 4.657 4.170 -0.008 0.000 0.285 429 I C 0.120 175.963 176.117 -0.455 0.000 1.021 429 I CA -0.286 60.878 61.300 -0.226 0.000 1.091 429 I CB 2.101 40.039 38.000 -0.104 0.000 1.242 429 I HN 0.723 nan 8.210 nan 0.000 0.439 430 G N 4.267 112.516 108.800 -0.918 0.000 2.949 430 G HA2 0.782 4.738 3.960 -0.008 0.000 0.285 430 G HA3 0.782 4.738 3.960 -0.008 0.000 0.285 430 G C -2.014 172.099 174.900 -1.311 0.000 1.395 430 G CA -0.631 43.700 45.100 -1.282 0.000 0.901 430 G HN 0.324 nan 8.290 nan 0.000 0.519 431 F N 0.736 119.939 119.950 -1.245 0.000 2.607 431 F HA 0.446 4.968 4.527 -0.007 0.000 0.322 431 F C -1.417 174.159 175.800 -0.374 0.000 1.176 431 F CA -0.969 56.514 58.000 -0.862 0.000 0.977 431 F CB 2.236 40.598 39.000 -1.063 0.000 1.242 431 F HN 0.393 nan 8.300 nan 0.000 0.465 432 D N 3.453 123.476 120.400 -0.629 0.000 2.274 432 D HA 0.154 4.790 4.640 -0.008 0.000 0.239 432 D C 0.740 176.703 176.300 -0.562 0.000 1.104 432 D CA 0.162 54.000 54.000 -0.269 0.000 0.840 432 D CB 2.047 42.762 40.800 -0.142 0.000 1.100 432 D HN 0.654 nan 8.370 nan 0.000 0.477 433 S N 1.800 117.534 115.700 0.056 0.000 2.461 433 S HA -0.158 4.308 4.470 -0.008 0.000 0.228 433 S C 1.862 176.481 174.600 0.031 0.000 1.005 433 S CA 1.019 59.287 58.200 0.113 0.000 0.942 433 S CB -0.141 63.217 63.200 0.264 0.000 0.776 433 S HN 0.431 nan 8.310 nan 0.000 0.514 434 S N 0.566 116.316 115.700 0.083 0.000 2.436 434 S HA 0.049 4.514 4.470 -0.008 0.000 0.228 434 S C 1.801 176.418 174.600 0.029 0.000 1.014 434 S CA 0.618 58.862 58.200 0.073 0.000 0.950 434 S CB -0.342 62.936 63.200 0.130 0.000 0.784 434 S HN 0.426 nan 8.310 nan 0.000 0.504 435 Q N 0.832 120.601 119.800 -0.052 0.000 2.282 435 Q HA 0.404 4.740 4.340 -0.008 0.000 0.206 435 Q C 0.599 176.564 176.000 -0.059 0.000 0.878 435 Q CA 0.377 56.154 55.803 -0.044 0.000 0.944 435 Q CB 0.187 28.872 28.738 -0.089 0.000 1.100 435 Q HN 0.503 nan 8.270 nan 0.000 0.509 436 S N -0.338 115.211 115.700 -0.252 0.000 3.549 436 S HA -0.182 4.283 4.470 -0.008 0.000 0.366 436 S C -0.742 173.532 174.600 -0.544 0.000 1.012 436 S CA 0.594 58.588 58.200 -0.344 0.000 1.141 436 S CB -1.224 61.988 63.200 0.019 0.000 0.910 436 S HN 0.331 nan 8.310 nan 0.000 0.471 437 S N 0.405 115.592 115.700 -0.855 0.000 2.541 437 S HA 0.739 5.204 4.470 -0.008 0.000 0.280 437 S C -0.513 173.677 174.600 -0.683 0.000 1.112 437 S CA -0.661 57.233 58.200 -0.510 0.000 0.925 437 S CB 1.034 64.140 63.200 -0.157 0.000 1.067 437 S HN 0.354 nan 8.310 nan 0.000 0.479 438 F N 2.276 122.053 119.950 -0.287 0.000 2.370 438 F HA 0.636 5.159 4.527 -0.007 0.000 0.324 438 F C 0.123 175.796 175.800 -0.212 0.000 1.116 438 F CA -0.285 57.504 58.000 -0.352 0.000 1.123 438 F CB 0.774 39.291 39.000 -0.805 0.000 1.238 438 F HN 0.653 nan 8.300 nan 0.000 0.536 439 Y N 0.200 120.513 120.300 0.021 0.000 2.592 439 Y HA 0.708 5.254 4.550 -0.007 0.000 0.334 439 Y C -1.755 174.167 175.900 0.036 0.000 1.136 439 Y CA -1.743 56.355 58.100 -0.004 0.000 1.042 439 Y CB 0.885 39.297 38.460 -0.081 0.000 1.325 439 Y HN 0.583 nan 8.280 nan 0.000 0.457 440 I N 1.822 122.531 120.570 0.232 0.000 2.740 440 I HA 0.506 4.671 4.170 -0.008 0.000 0.303 440 I C -1.572 174.643 176.117 0.164 0.000 1.044 440 I CA -0.728 60.662 61.300 0.150 0.000 1.064 440 I CB 2.068 40.129 38.000 0.102 0.000 1.249 440 I HN 0.877 nan 8.210 nan 0.000 0.433 441 D N 5.303 125.774 120.400 0.119 0.000 2.358 441 D HA 0.238 4.873 4.640 -0.008 0.000 0.253 441 D C 0.071 176.433 176.300 0.104 0.000 1.288 441 D CA -0.511 53.553 54.000 0.106 0.000 0.950 441 D CB 0.932 41.789 40.800 0.095 0.000 1.197 441 D HN 0.607 nan 8.370 nan 0.000 0.550 442 R N 2.045 122.622 120.500 0.128 0.000 2.356 442 R HA 0.142 4.477 4.340 -0.008 0.000 0.234 442 R C 0.385 176.834 176.300 0.249 0.000 0.929 442 R CA -0.459 55.742 56.100 0.168 0.000 1.084 442 R CB -0.453 29.958 30.300 0.185 0.000 1.105 442 R HN 0.250 nan 8.270 nan 0.000 0.515 443 H N 1.199 120.355 119.070 0.144 0.000 2.964 443 H HA 0.218 4.770 4.556 -0.008 0.000 0.328 443 H C -0.691 174.710 175.328 0.122 0.000 1.030 443 H CA 0.501 56.633 56.048 0.140 0.000 1.445 443 H CB 0.386 30.195 29.762 0.078 0.000 1.449 443 H HN 0.162 nan 8.280 nan 0.000 0.581 444 I N 7.806 128.128 120.570 -0.414 0.000 2.499 444 I HA 0.266 4.431 4.170 -0.008 0.000 0.288 444 I C -2.174 173.714 176.117 -0.381 0.000 1.048 444 I CA -2.241 58.932 61.300 -0.213 0.000 1.062 444 I CB 2.152 40.156 38.000 0.008 0.000 1.238 444 I HN 0.624 nan 8.210 nan 0.000 0.426 445 P HA 0.188 nan 4.420 nan 0.000 0.269 445 P C -0.124 177.148 177.300 -0.047 0.000 1.215 445 P CA 0.083 63.160 63.100 -0.039 0.000 0.780 445 P CB 0.325 32.054 31.700 0.049 0.000 0.898 446 N N -2.293 116.390 118.700 -0.028 0.000 2.857 446 N HA -0.139 4.597 4.740 -0.008 0.000 0.242 446 N C -0.641 174.854 175.510 -0.025 0.000 0.983 446 N CA 0.766 53.803 53.050 -0.021 0.000 0.934 446 N CB -1.672 36.809 38.487 -0.010 0.000 1.115 446 N HN 0.180 nan 8.380 nan 0.000 0.593 447 V N 1.551 121.441 119.914 -0.041 0.000 2.348 447 V HA 0.271 4.387 4.120 -0.008 0.000 0.270 447 V C 0.361 176.417 176.094 -0.064 0.000 1.037 447 V CA -0.116 62.181 62.300 -0.007 0.000 0.872 447 V CB 1.924 33.777 31.823 0.050 0.000 1.002 447 V HN 0.000 nan 8.190 nan 0.000 0.464 448 E N 4.740 124.913 120.200 -0.045 0.000 2.212 448 E HA 0.715 5.061 4.350 -0.008 0.000 0.268 448 E C -0.947 175.633 176.600 -0.033 0.000 0.902 448 E CA -0.369 55.943 56.400 -0.146 0.000 0.779 448 E CB 2.740 32.373 29.700 -0.111 0.000 1.172 448 E HN 0.548 nan 8.360 nan 0.000 0.409 449 F N -0.994 118.861 119.950 -0.159 0.000 2.654 449 F HA 0.574 5.097 4.527 -0.007 0.000 0.308 449 F C -2.807 172.938 175.800 -0.091 0.000 1.108 449 F CA -2.731 55.178 58.000 -0.152 0.000 0.957 449 F CB 0.506 39.358 39.000 -0.248 0.000 1.309 449 F HN 0.062 nan 8.300 nan 0.000 0.446 450 P HA 0.199 nan 4.420 nan 0.000 0.262 450 P C -0.331 177.081 177.300 0.186 0.000 1.182 450 P CA 0.601 63.771 63.100 0.117 0.000 0.761 450 P CB 0.389 32.170 31.700 0.135 0.000 0.795 451 R N -0.579 120.002 120.500 0.134 0.000 3.892 451 R HA -0.161 4.175 4.340 -0.008 0.000 0.441 451 R C 0.060 176.496 176.300 0.227 0.000 1.052 451 R CA 0.632 56.901 56.100 0.281 0.000 1.190 451 R CB -1.621 28.965 30.300 0.477 0.000 1.808 451 R HN 0.542 nan 8.270 nan 0.000 0.538 452 K N 1.127 121.436 120.400 -0.151 0.000 2.494 452 K HA -0.065 4.251 4.320 -0.008 0.000 0.273 452 K C 0.907 177.401 176.600 -0.176 0.000 0.970 452 K CA 1.118 57.250 56.287 -0.258 0.000 0.963 452 K CB 0.212 32.361 32.500 -0.586 0.000 0.913 452 K HN 0.231 nan 8.250 nan 0.000 0.502 453 Q N -0.727 118.981 119.800 -0.154 0.000 7.863 453 Q HA -0.174 4.162 4.340 -0.008 0.000 0.365 453 Q C 0.828 176.626 176.000 -0.336 0.000 0.969 453 Q CA 1.087 56.683 55.803 -0.345 0.000 0.544 453 Q CB -1.046 27.281 28.738 -0.685 0.000 0.177 453 Q HN 0.635 nan 8.270 nan 0.000 0.902 454 F N -0.685 119.387 119.950 0.203 0.000 2.717 454 F HA 0.308 4.830 4.527 -0.008 0.000 0.295 454 F C 0.576 176.611 175.800 0.393 0.000 1.117 454 F CA -0.214 57.955 58.000 0.282 0.000 1.361 454 F CB 0.557 39.755 39.000 0.329 0.000 1.112 454 F HN -0.020 nan 8.300 nan 0.000 0.594 455 F N 1.572 121.676 119.950 0.257 0.000 2.439 455 F HA 0.144 4.667 4.527 -0.008 0.000 0.356 455 F C 1.387 177.232 175.800 0.075 0.000 1.161 455 F CA -0.013 58.005 58.000 0.029 0.000 1.151 455 F CB 0.498 39.373 39.000 -0.207 0.000 1.222 455 F HN -0.170 nan 8.300 nan 0.000 0.558 456 T N 3.540 118.035 114.554 -0.098 0.000 2.904 456 T HA -0.104 4.241 4.350 -0.008 0.000 0.267 456 T C 0.930 175.640 174.700 0.016 0.000 1.059 456 T CA 1.446 63.547 62.100 0.001 0.000 1.137 456 T CB -0.131 68.749 68.868 0.019 0.000 0.879 456 T HN 0.779 nan 8.240 nan 0.000 0.467 457 D N -0.097 120.290 120.400 -0.020 0.000 3.507 457 D HA -0.119 4.517 4.640 -0.008 0.000 0.208 457 D C 0.201 176.536 176.300 0.059 0.000 1.223 457 D CA 1.561 55.612 54.000 0.085 0.000 2.248 457 D CB -0.747 40.155 40.800 0.171 0.000 1.247 457 D HN 0.392 nan 8.370 nan 0.000 0.475 458 K N 0.591 121.013 120.400 0.036 0.000 2.358 458 K HA 0.712 5.027 4.320 -0.008 0.000 0.260 458 K C -0.507 176.112 176.600 0.032 0.000 0.956 458 K CA -0.298 56.008 56.287 0.032 0.000 0.834 458 K CB 2.096 34.593 32.500 -0.006 0.000 1.102 458 K HN 0.093 nan 8.250 nan 0.000 0.431 459 L N 2.534 123.795 121.223 0.064 0.000 2.438 459 L HA 0.579 4.914 4.340 -0.008 0.000 0.270 459 L C -0.032 176.896 176.870 0.097 0.000 0.972 459 L CA -0.584 54.296 54.840 0.067 0.000 0.831 459 L CB 1.828 43.922 42.059 0.059 0.000 1.273 459 L HN 0.971 nan 8.230 nan 0.000 0.405 460 A N 3.441 126.305 122.820 0.072 0.000 6.484 460 A HA 0.177 4.493 4.320 -0.008 0.000 0.261 460 A C 0.595 178.229 177.584 0.083 0.000 2.084 460 A CA 0.703 52.790 52.037 0.083 0.000 0.721 460 A CB -1.429 17.628 19.000 0.094 0.000 1.059 460 A HN 2.589 nan 8.150 nan 0.000 0.382 461 A N -3.275 119.602 122.820 0.094 0.000 2.605 461 A HA 0.249 4.564 4.320 -0.008 0.000 0.271 461 A C -0.285 177.336 177.584 0.062 0.000 1.365 461 A CA 1.107 53.169 52.037 0.042 0.000 0.719 461 A CB -1.935 16.940 19.000 -0.208 0.000 1.130 461 A HN 2.530 nan 8.150 nan 0.000 0.361 462 Y N 1.163 121.491 120.300 0.047 0.000 2.310 462 Y HA 0.651 5.196 4.550 -0.007 0.000 0.326 462 Y C 0.809 176.806 175.900 0.162 0.000 1.151 462 Y CA 0.184 58.325 58.100 0.067 0.000 1.195 462 Y CB 0.810 39.307 38.460 0.062 0.000 1.210 462 Y HN 0.448 nan 8.280 nan 0.000 0.483 463 L N 1.942 122.766 121.223 -0.665 0.000 2.678 463 L HA 0.270 4.605 4.340 -0.008 0.000 0.211 463 L C -0.602 176.216 176.870 -0.086 0.000 1.043 463 L CA 0.273 55.032 54.840 -0.136 0.000 0.881 463 L CB 0.150 42.373 42.059 0.274 0.000 1.361 463 L HN 0.619 nan 8.230 nan 0.000 0.484 464 E N -0.437 119.686 120.200 -0.130 0.000 7.682 464 E HA -0.089 4.257 4.350 -0.008 0.000 0.456 464 E C -2.513 174.013 176.600 -0.124 0.000 0.479 464 E CA -0.098 56.322 56.400 0.034 0.000 0.871 464 E CB -1.004 28.771 29.700 0.125 0.000 0.970 464 E HN -0.052 nan 8.360 nan 0.000 0.262 465 P HA 0.006 nan 4.420 nan 0.000 0.266 465 P C 1.104 178.016 177.300 -0.646 0.000 1.195 465 P CA -0.233 62.142 63.100 -1.207 0.000 0.768 465 P CB 0.399 31.304 31.700 -1.325 0.000 0.838 466 L N 1.729 122.574 121.223 -0.629 0.000 2.201 466 L HA 0.076 4.411 4.340 -0.008 0.000 0.212 466 L C 0.313 177.047 176.870 -0.227 0.000 1.105 466 L CA 2.104 56.779 54.840 -0.276 0.000 0.775 466 L CB -0.363 41.573 42.059 -0.205 0.000 0.913 466 L HN 0.340 nan 8.230 nan 0.000 0.440 467 D N -3.698 116.477 120.400 -0.375 0.000 2.742 467 D HA 0.231 4.867 4.640 -0.008 0.000 0.262 467 D C -1.794 174.264 176.300 -0.403 0.000 1.240 467 D CA -0.386 53.478 54.000 -0.226 0.000 0.752 467 D CB 0.674 41.401 40.800 -0.122 0.000 1.290 467 D HN -0.136 nan 8.370 nan 0.000 0.420 468 Y N 0.568 120.793 120.300 -0.125 0.000 2.364 468 Y HA 0.475 5.021 4.550 -0.008 0.000 0.340 468 Y C -0.290 175.568 175.900 -0.071 0.000 0.975 468 Y CA -0.673 57.364 58.100 -0.105 0.000 1.089 468 Y CB 1.859 40.267 38.460 -0.087 0.000 1.192 468 Y HN 0.063 nan 8.280 nan 0.000 0.454 469 D N 2.604 123.039 120.400 0.059 0.000 2.438 469 D HA 0.310 4.946 4.640 -0.008 0.000 0.257 469 D C -0.903 175.422 176.300 0.042 0.000 1.148 469 D CA -0.254 53.769 54.000 0.038 0.000 0.902 469 D CB 0.693 41.495 40.800 0.002 0.000 1.062 469 D HN 0.490 nan 8.370 nan 0.000 0.518 470 Q N 2.504 122.334 119.800 0.050 0.000 2.408 470 Q HA -0.147 4.188 4.340 -0.008 0.000 0.284 470 Q C -1.109 174.922 176.000 0.051 0.000 1.345 470 Q CA 0.320 56.145 55.803 0.036 0.000 0.713 470 Q CB -1.291 27.460 28.738 0.022 0.000 1.122 470 Q HN 0.663 nan 8.270 nan 0.000 0.394 471 D N -0.975 119.470 120.400 0.076 0.000 2.735 471 D HA -0.236 4.400 4.640 -0.008 0.000 0.235 471 D C 0.279 176.662 176.300 0.139 0.000 1.175 471 D CA 1.209 55.266 54.000 0.095 0.000 0.683 471 D CB -0.489 40.325 40.800 0.022 0.000 1.008 471 D HN 0.367 nan 8.370 nan 0.000 0.416 472 L N -0.458 120.875 121.223 0.182 0.000 2.885 472 L HA 0.200 4.535 4.340 -0.008 0.000 0.251 472 L C 0.073 176.967 176.870 0.040 0.000 1.071 472 L CA 0.904 55.798 54.840 0.089 0.000 0.956 472 L CB 0.467 42.551 42.059 0.042 0.000 1.483 472 L HN 0.236 nan 8.230 nan 0.000 0.525 473 R N -0.009 120.431 120.500 -0.100 0.000 1.449 473 R HA -0.016 4.320 4.340 -0.008 0.000 0.412 473 R C -1.248 174.847 176.300 -0.342 0.000 1.264 473 R CA 0.166 56.033 56.100 -0.390 0.000 0.878 473 R CB -2.056 28.185 30.300 -0.099 0.000 2.861 473 R HN -0.027 nan 8.270 nan 0.000 0.500 474 V N 5.157 124.710 119.914 -0.601 0.000 2.495 474 V HA 0.722 4.837 4.120 -0.008 0.000 0.298 474 V C -0.073 175.536 176.094 -0.808 0.000 1.031 474 V CA -0.488 61.513 62.300 -0.499 0.000 0.871 474 V CB 1.586 33.218 31.823 -0.319 0.000 0.988 474 V HN 0.444 nan 8.190 nan 0.000 0.432 475 F N 1.717 121.198 119.950 -0.783 0.000 2.579 475 F HA 0.785 5.308 4.527 -0.008 0.000 0.324 475 F C 0.396 175.888 175.800 -0.513 0.000 1.058 475 F CA -0.558 57.023 58.000 -0.698 0.000 0.944 475 F CB 2.365 40.768 39.000 -0.996 0.000 1.245 475 F HN 0.508 nan 8.300 nan 0.000 0.477 476 S N 1.946 117.697 115.700 0.085 0.000 2.570 476 S HA 0.846 5.311 4.470 -0.008 0.000 0.286 476 S C -1.644 173.111 174.600 0.259 0.000 1.099 476 S CA -0.728 57.574 58.200 0.170 0.000 0.913 476 S CB 1.916 65.166 63.200 0.083 0.000 1.085 476 S HN 0.791 nan 8.310 nan 0.000 0.480 477 L N 2.588 123.978 121.223 0.278 0.000 2.436 477 L HA 0.620 4.955 4.340 -0.008 0.000 0.268 477 L C -2.149 174.833 176.870 0.186 0.000 0.974 477 L CA -0.833 54.118 54.840 0.184 0.000 0.826 477 L CB 2.045 44.281 42.059 0.294 0.000 1.291 477 L HN 0.974 nan 8.230 nan 0.000 0.406 478 Y N 3.536 123.791 120.300 -0.075 0.000 2.361 478 Y HA 0.746 5.292 4.550 -0.008 0.000 0.337 478 Y C -0.249 175.472 175.900 -0.297 0.000 0.965 478 Y CA -0.573 57.429 58.100 -0.164 0.000 1.091 478 Y CB 2.094 40.459 38.460 -0.159 0.000 1.182 478 Y HN 0.515 nan 8.280 nan 0.000 0.450 479 G N 5.831 113.822 108.800 -1.349 0.000 2.571 479 G HA2 0.604 4.560 3.960 -0.008 0.000 0.304 479 G HA3 0.604 4.560 3.960 -0.008 0.000 0.304 479 G C -2.185 171.829 174.900 -1.477 0.000 1.314 479 G CA -0.858 43.406 45.100 -1.393 0.000 0.975 479 G HN 0.788 nan 8.290 nan 0.000 0.485 480 I N 1.621 121.793 120.570 -0.664 0.000 2.534 480 I HA 0.546 4.711 4.170 -0.008 0.000 0.288 480 I C -1.102 175.005 176.117 -0.017 0.000 1.077 480 I CA -0.901 60.212 61.300 -0.310 0.000 1.051 480 I CB 2.030 39.954 38.000 -0.126 0.000 1.234 480 I HN 0.261 nan 8.210 nan 0.000 0.425 481 V N 7.440 127.423 119.914 0.116 0.000 2.370 481 V HA 0.324 4.439 4.120 -0.008 0.000 0.283 481 V C 0.220 176.463 176.094 0.247 0.000 1.023 481 V CA -0.399 62.038 62.300 0.227 0.000 0.857 481 V CB 1.112 33.111 31.823 0.294 0.000 0.985 481 V HN 0.753 nan 8.190 nan 0.000 0.443 482 D N 3.155 123.680 120.400 0.209 0.000 2.230 482 D HA 0.174 4.810 4.640 -0.008 0.000 0.274 482 D C 1.304 177.697 176.300 0.155 0.000 1.222 482 D CA 0.693 54.778 54.000 0.141 0.000 0.943 482 D CB 0.695 41.525 40.800 0.051 0.000 0.920 482 D HN 0.502 nan 8.370 nan 0.000 0.300 483 K N -1.166 119.260 120.400 0.043 0.000 2.544 483 K HA 0.183 4.498 4.320 -0.008 0.000 0.213 483 K C 0.931 177.381 176.600 -0.250 0.000 1.392 483 K CA 0.057 56.371 56.287 0.045 0.000 0.980 483 K CB 0.748 33.238 32.500 -0.017 0.000 1.177 483 K HN 0.284 nan 8.250 nan 0.000 0.570 484 N N 0.115 118.523 118.700 -0.486 0.000 2.143 484 N HA 0.156 4.891 4.740 -0.008 0.000 0.229 484 N C -0.397 174.567 175.510 -0.910 0.000 1.294 484 N CA -0.154 52.239 53.050 -1.095 0.000 0.883 484 N CB 1.216 39.276 38.487 -0.711 0.000 1.148 484 N HN -0.041 nan 8.380 nan 0.000 0.511 485 I N 1.181 121.568 120.570 -0.306 0.000 2.534 485 I HA 0.465 4.630 4.170 -0.008 0.000 0.288 485 I C -1.704 174.498 176.117 0.142 0.000 1.077 485 I CA -1.021 60.218 61.300 -0.102 0.000 1.051 485 I CB 2.443 40.239 38.000 -0.340 0.000 1.234 485 I HN 0.025 nan 8.210 nan 0.000 0.425 486 I N 7.370 128.049 120.570 0.182 0.000 2.406 486 I HA 0.467 4.633 4.170 -0.008 0.000 0.290 486 I C -1.094 175.030 176.117 0.011 0.000 0.999 486 I CA -0.297 61.065 61.300 0.103 0.000 1.124 486 I CB 1.485 39.517 38.000 0.054 0.000 1.289 486 I HN 0.672 nan 8.210 nan 0.000 0.441 487 E N 8.127 128.314 120.200 -0.020 0.000 2.145 487 E HA 0.483 4.828 4.350 -0.008 0.000 0.270 487 E C -1.322 175.091 176.600 -0.313 0.000 0.906 487 E CA -0.681 55.634 56.400 -0.141 0.000 0.761 487 E CB 2.553 32.273 29.700 0.033 0.000 1.116 487 E HN 0.544 nan 8.360 nan 0.000 0.408 488 L N 3.398 124.281 121.223 -0.566 0.000 2.322 488 L HA 0.471 4.807 4.340 -0.008 0.000 0.281 488 L C -1.129 175.056 176.870 -1.142 0.000 1.014 488 L CA -0.988 53.417 54.840 -0.724 0.000 0.815 488 L CB 0.834 42.474 42.059 -0.699 0.000 1.247 488 L HN 0.536 nan 8.230 nan 0.000 0.421 489 Y N 2.483 122.354 120.300 -0.715 0.000 2.363 489 Y HA 0.448 4.994 4.550 -0.007 0.000 0.325 489 Y C -0.412 175.180 175.900 -0.514 0.000 0.984 489 Y CA -0.626 57.146 58.100 -0.546 0.000 1.248 489 Y CB 0.955 39.283 38.460 -0.220 0.000 1.116 489 Y HN 0.286 nan 8.280 nan 0.000 0.470 490 F N 2.675 122.584 119.950 -0.068 0.000 2.385 490 F HA 0.339 4.862 4.527 -0.007 0.000 0.336 490 F C 0.769 176.576 175.800 0.012 0.000 1.100 490 F CA -0.620 57.280 58.000 -0.168 0.000 1.116 490 F CB 0.616 39.487 39.000 -0.215 0.000 1.166 490 F HN 0.571 nan 8.300 nan 0.000 0.511 491 N N 0.546 119.399 118.700 0.254 0.000 1.202 491 N HA -0.272 4.463 4.740 -0.008 0.000 0.108 491 N C -0.562 174.998 175.510 0.083 0.000 0.816 491 N CA 1.327 54.475 53.050 0.163 0.000 0.848 491 N CB -0.689 37.895 38.487 0.161 0.000 0.972 491 N HN 0.593 nan 8.380 nan 0.000 0.645 492 D N 1.466 121.892 120.400 0.044 0.000 3.168 492 D HA 0.430 5.066 4.640 -0.008 0.000 0.255 492 D C 0.961 177.250 176.300 -0.019 0.000 1.314 492 D CA 0.940 54.935 54.000 -0.009 0.000 0.900 492 D CB -0.798 39.982 40.800 -0.034 0.000 1.072 492 D HN 0.798 nan 8.370 nan 0.000 0.487 493 G N 0.488 109.303 108.800 0.025 0.000 2.132 493 G HA2 -0.336 3.620 3.960 -0.008 0.000 0.228 493 G HA3 -0.336 3.620 3.960 -0.008 0.000 0.228 493 G C 1.305 176.231 174.900 0.044 0.000 1.000 493 G CA 0.450 45.575 45.100 0.041 0.000 0.693 493 G HN 0.357 nan 8.290 nan 0.000 0.515 494 T N -1.217 113.389 114.554 0.086 0.000 2.788 494 T HA 0.187 4.532 4.350 -0.008 0.000 0.268 494 T C 1.255 176.039 174.700 0.139 0.000 1.044 494 T CA 1.818 63.987 62.100 0.115 0.000 1.139 494 T CB 0.145 69.106 68.868 0.154 0.000 0.867 494 T HN 1.565 nan 8.240 nan 0.000 0.454 495 V N -0.544 119.474 119.914 0.174 0.000 2.808 495 V HA 0.847 4.962 4.120 -0.008 0.000 0.308 495 V C -1.648 174.455 176.094 0.015 0.000 1.099 495 V CA -1.134 61.268 62.300 0.170 0.000 0.920 495 V CB 1.754 33.754 31.823 0.295 0.000 1.014 495 V HN 0.287 nan 8.190 nan 0.000 0.425 496 A N 6.982 129.718 122.820 -0.139 0.000 2.340 496 A HA 0.937 5.253 4.320 -0.008 0.000 0.331 496 A C -0.506 176.871 177.584 -0.346 0.000 1.140 496 A CA -0.784 50.980 52.037 -0.455 0.000 0.801 496 A CB 1.749 20.404 19.000 -0.576 0.000 1.234 496 A HN 1.193 nan 8.150 nan 0.000 0.469 497 M N 2.609 121.934 119.600 -0.458 0.000 2.060 497 M HA 0.257 4.733 4.480 -0.008 0.000 0.275 497 M C -1.193 174.970 176.300 -0.229 0.000 0.919 497 M CA -0.027 55.148 55.300 -0.208 0.000 0.970 497 M CB 1.475 34.092 32.600 0.028 0.000 1.670 497 M HN 0.716 nan 8.290 nan 0.000 0.440 498 T N 3.905 118.366 114.554 -0.155 0.000 2.767 498 T HA 0.529 4.875 4.350 -0.008 0.000 0.284 498 T C -0.486 174.216 174.700 0.003 0.000 0.973 498 T CA -0.559 61.507 62.100 -0.056 0.000 0.996 498 T CB 0.542 69.454 68.868 0.072 0.000 0.927 498 T HN 0.536 nan 8.240 nan 0.000 0.456 499 N N 1.995 120.700 118.700 0.008 0.000 2.336 499 N HA 0.312 5.047 4.740 -0.008 0.000 0.290 499 N C -0.459 175.078 175.510 0.045 0.000 1.058 499 N CA -0.556 52.505 53.050 0.019 0.000 0.865 499 N CB 2.298 40.791 38.487 0.011 0.000 1.581 499 N HN 0.671 nan 8.380 nan 0.000 0.480 500 T N -0.642 113.925 114.554 0.021 0.000 2.910 500 T HA 0.689 5.035 4.350 -0.008 0.000 0.293 500 T C -0.014 174.676 174.700 -0.017 0.000 1.015 500 T CA -0.405 61.634 62.100 -0.101 0.000 1.094 500 T CB 0.170 68.960 68.868 -0.130 0.000 0.968 500 T HN 0.390 nan 8.240 nan 0.000 0.521 501 F N -0.567 119.123 119.950 -0.433 0.000 2.599 501 F HA 0.774 5.296 4.527 -0.008 0.000 0.311 501 F C -0.748 174.681 175.800 -0.619 0.000 1.076 501 F CA -1.756 56.108 58.000 -0.226 0.000 0.937 501 F CB 0.946 39.908 39.000 -0.063 0.000 1.282 501 F HN 0.414 nan 8.300 nan 0.000 0.460 502 F N 0.484 120.519 119.950 0.142 0.000 2.479 502 F HA 0.510 5.033 4.527 -0.008 0.000 0.280 502 F C 0.364 176.200 175.800 0.059 0.000 0.982 502 F CA 0.215 58.183 58.000 -0.053 0.000 1.276 502 F CB 0.023 38.918 39.000 -0.176 0.000 1.137 502 F HN 0.502 nan 8.300 nan 0.000 0.660 503 M N 0.045 119.825 119.600 0.300 0.000 4.056 503 M HA -0.101 4.374 4.480 -0.008 0.000 0.157 503 M C 0.142 176.568 176.300 0.210 0.000 1.531 503 M CA 0.406 55.858 55.300 0.254 0.000 1.097 503 M CB -0.852 31.942 32.600 0.323 0.000 1.345 503 M HN 0.365 nan 8.290 nan 0.000 0.190 504 G N 2.493 111.358 108.800 0.108 0.000 2.491 504 G HA2 0.276 4.232 3.960 -0.008 0.000 0.238 504 G HA3 0.276 4.232 3.960 -0.008 0.000 0.238 504 G C -0.146 174.707 174.900 -0.079 0.000 1.277 504 G CA -0.278 44.842 45.100 0.034 0.000 0.851 504 G HN 0.819 nan 8.290 nan 0.000 0.573 505 E N 0.185 120.319 120.200 -0.110 0.000 3.250 505 E HA 0.110 4.455 4.350 -0.008 0.000 0.244 505 E C 1.527 177.735 176.600 -0.654 0.000 0.931 505 E CA 1.610 57.804 56.400 -0.343 0.000 0.954 505 E CB -0.325 29.304 29.700 -0.118 0.000 0.894 505 E HN 1.090 nan 8.360 nan 0.000 0.560 506 G N 3.622 111.464 108.800 -1.597 0.000 2.234 506 G HA2 -0.312 3.644 3.960 -0.008 0.000 0.235 506 G HA3 -0.312 3.644 3.960 -0.008 0.000 0.235 506 G C 0.053 174.730 174.900 -0.371 0.000 0.997 506 G CA 0.216 44.795 45.100 -0.869 0.000 0.623 506 G HN 0.488 nan 8.290 nan 0.000 0.514 507 K N 0.436 120.667 120.400 -0.282 0.000 2.205 507 K HA 0.630 4.946 4.320 -0.008 0.000 0.279 507 K C -0.270 176.516 176.600 0.310 0.000 1.027 507 K CA -0.491 55.788 56.287 -0.014 0.000 0.932 507 K CB 0.819 33.309 32.500 -0.015 0.000 1.032 507 K HN 0.578 nan 8.250 nan 0.000 0.466 508 Y N -0.517 119.959 120.300 0.293 0.000 2.588 508 Y HA 0.470 5.015 4.550 -0.007 0.000 0.343 508 Y C -3.014 173.143 175.900 0.429 0.000 1.065 508 Y CA -3.704 54.619 58.100 0.372 0.000 1.038 508 Y CB 0.477 39.146 38.460 0.349 0.000 1.297 508 Y HN 0.403 nan 8.280 nan 0.000 0.467 509 P HA 0.042 nan 4.420 nan 0.000 0.261 509 P C -0.130 177.505 177.300 0.559 0.000 1.183 509 P CA 0.823 64.202 63.100 0.466 0.000 0.761 509 P CB 0.259 32.274 31.700 0.524 0.000 0.785 510 H N 1.226 120.391 119.070 0.160 0.000 2.800 510 H HA 0.098 4.650 4.556 -0.007 0.000 0.257 510 H C 0.024 175.368 175.328 0.027 0.000 0.967 510 H CA 0.386 56.539 56.048 0.176 0.000 1.192 510 H CB 1.082 30.846 29.762 0.003 0.000 1.441 510 H HN 0.548 nan 8.280 nan 0.000 0.461 511 D N -0.396 119.913 120.400 -0.153 0.000 2.622 511 D HA 0.379 5.015 4.640 -0.008 0.000 0.255 511 D C -1.118 174.922 176.300 -0.434 0.000 1.246 511 D CA -0.641 53.141 54.000 -0.363 0.000 0.795 511 D CB 1.594 42.272 40.800 -0.203 0.000 1.369 511 D HN -0.062 nan 8.370 nan 0.000 0.425 512 I N 0.327 120.622 120.570 -0.459 0.000 2.498 512 I HA 0.313 4.478 4.170 -0.008 0.000 0.290 512 I C -0.712 175.227 176.117 -0.297 0.000 1.032 512 I CA -0.645 60.421 61.300 -0.390 0.000 1.073 512 I CB 1.891 39.639 38.000 -0.420 0.000 1.251 512 I HN 0.268 nan 8.210 nan 0.000 0.426 513 Q N 6.079 125.729 119.800 -0.250 0.000 2.348 513 Q HA 0.698 5.034 4.340 -0.008 0.000 0.271 513 Q C -1.151 174.743 176.000 -0.176 0.000 1.067 513 Q CA -0.884 54.807 55.803 -0.187 0.000 0.839 513 Q CB 3.275 31.925 28.738 -0.146 0.000 1.354 513 Q HN 0.511 nan 8.270 nan 0.000 0.447 514 I N 2.128 122.625 120.570 -0.122 0.000 2.410 514 I HA 0.409 4.575 4.170 -0.008 0.000 0.286 514 I C -0.369 175.727 176.117 -0.034 0.000 1.009 514 I CA -0.936 60.321 61.300 -0.071 0.000 1.111 514 I CB 1.522 39.489 38.000 -0.055 0.000 1.262 514 I HN 0.369 nan 8.210 nan 0.000 0.443 515 V N 1.963 121.874 119.914 -0.005 0.000 3.126 515 V HA 0.877 4.993 4.120 -0.008 0.000 0.314 515 V C -0.375 175.755 176.094 0.060 0.000 1.138 515 V CA -0.305 62.000 62.300 0.007 0.000 1.034 515 V CB 2.171 33.983 31.823 -0.019 0.000 1.075 515 V HN 0.696 nan 8.190 nan 0.000 0.442 516 T N 0.456 115.050 114.554 0.066 0.000 2.853 516 T HA 0.448 4.794 4.350 -0.008 0.000 0.311 516 T C -0.605 174.148 174.700 0.088 0.000 1.307 516 T CA -0.380 61.791 62.100 0.117 0.000 1.019 516 T CB 1.927 70.902 68.868 0.180 0.000 1.264 516 T HN 0.749 nan 8.240 nan 0.000 0.497 517 D N 1.471 121.933 120.400 0.104 0.000 2.360 517 D HA 0.092 4.727 4.640 -0.008 0.000 0.210 517 D C 1.214 177.566 176.300 0.086 0.000 1.047 517 D CA 0.433 54.478 54.000 0.074 0.000 0.854 517 D CB 0.217 41.049 40.800 0.054 0.000 0.936 517 D HN 0.709 nan 8.370 nan 0.000 0.514 518 T N -0.775 113.854 114.554 0.124 0.000 2.901 518 T HA 0.105 4.451 4.350 -0.008 0.000 0.301 518 T C 1.233 175.973 174.700 0.067 0.000 1.012 518 T CA -0.390 61.773 62.100 0.105 0.000 1.135 518 T CB 1.902 70.846 68.868 0.128 0.000 0.936 518 T HN -0.148 nan 8.240 nan 0.000 0.539 519 E N 1.787 122.014 120.200 0.045 0.000 2.028 519 E HA -0.020 4.325 4.350 -0.008 0.000 0.190 519 E C 0.694 177.309 176.600 0.024 0.000 0.984 519 E CA 1.032 57.450 56.400 0.030 0.000 0.800 519 E CB 0.122 29.835 29.700 0.021 0.000 0.758 519 E HN 0.717 nan 8.360 nan 0.000 0.448 520 E N 0.983 121.194 120.200 0.019 0.000 2.280 520 E HA 0.273 4.618 4.350 -0.008 0.000 0.264 520 E C -2.335 174.272 176.600 0.011 0.000 1.064 520 E CA -2.479 53.927 56.400 0.010 0.000 0.900 520 E CB 0.439 30.139 29.700 -0.000 0.000 1.123 520 E HN -0.055 nan 8.360 nan 0.000 0.418 521 P HA 0.073 nan 4.420 nan 0.000 0.276 521 P C 0.255 177.529 177.300 -0.043 0.000 1.264 521 P CA -0.112 62.991 63.100 0.004 0.000 0.769 521 P CB 0.515 32.217 31.700 0.003 0.000 0.840 522 L N 3.910 125.087 121.223 -0.077 0.000 2.316 522 L HA 0.396 4.731 4.340 -0.008 0.000 0.207 522 L C -0.011 176.577 176.870 -0.470 0.000 1.070 522 L CA 1.115 55.775 54.840 -0.300 0.000 0.820 522 L CB -0.234 41.570 42.059 -0.426 0.000 0.992 522 L HN 0.050 nan 8.230 nan 0.000 0.466 523 F N 0.652 120.594 119.950 -0.014 0.000 2.436 523 F HA 0.436 4.958 4.527 -0.008 0.000 0.340 523 F C 0.235 175.986 175.800 -0.082 0.000 1.113 523 F CA -0.631 57.335 58.000 -0.057 0.000 1.022 523 F CB 1.115 39.954 39.000 -0.269 0.000 1.128 523 F HN -0.077 nan 8.300 nan 0.000 0.466 524 E N 4.715 124.994 120.200 0.131 0.000 2.092 524 E HA 0.392 4.737 4.350 -0.008 0.000 0.271 524 E C -1.290 175.365 176.600 0.092 0.000 0.919 524 E CA -0.586 55.857 56.400 0.072 0.000 0.760 524 E CB 0.767 30.498 29.700 0.051 0.000 1.106 524 E HN 0.642 nan 8.360 nan 0.000 0.408 525 L N 5.278 126.515 121.223 0.023 0.000 2.385 525 L HA 0.182 4.517 4.340 -0.008 0.000 0.285 525 L C 1.226 178.128 176.870 0.054 0.000 1.125 525 L CA -0.165 54.696 54.840 0.035 0.000 0.890 525 L CB 0.351 42.377 42.059 -0.055 0.000 1.251 525 L HN 0.714 nan 8.230 nan 0.000 0.445 526 E N 1.148 121.395 120.200 0.078 0.000 2.085 526 E HA -0.145 4.200 4.350 -0.008 0.000 0.194 526 E C 0.682 177.312 176.600 0.050 0.000 0.994 526 E CA 1.134 57.565 56.400 0.052 0.000 0.801 526 E CB 0.240 29.966 29.700 0.043 0.000 0.743 526 E HN 0.544 nan 8.360 nan 0.000 0.453 527 S N -0.255 115.486 115.700 0.067 0.000 2.571 527 S HA 0.433 4.899 4.470 -0.008 0.000 0.284 527 S C -1.210 173.442 174.600 0.088 0.000 1.128 527 S CA -0.870 57.371 58.200 0.068 0.000 0.970 527 S CB 1.677 64.915 63.200 0.063 0.000 1.039 527 S HN -0.078 nan 8.310 nan 0.000 0.485 528 V N 5.845 125.807 119.914 0.080 0.000 2.525 528 V HA 0.590 4.705 4.120 -0.008 0.000 0.299 528 V C -0.810 175.349 176.094 0.108 0.000 1.034 528 V CA -0.539 61.819 62.300 0.096 0.000 0.863 528 V CB 1.402 33.262 31.823 0.062 0.000 0.999 528 V HN 0.874 nan 8.190 nan 0.000 0.423 529 I N 5.960 126.615 120.570 0.141 0.000 2.439 529 I HA 0.526 4.692 4.170 -0.008 0.000 0.283 529 I C -0.814 175.423 176.117 0.201 0.000 1.023 529 I CA -0.253 61.138 61.300 0.152 0.000 1.100 529 I CB 1.864 39.944 38.000 0.134 0.000 1.238 529 I HN 0.431 nan 8.210 nan 0.000 0.445 530 I N 6.247 126.950 120.570 0.222 0.000 2.404 530 I HA 0.500 4.665 4.170 -0.008 0.000 0.293 530 I C -0.254 176.088 176.117 0.375 0.000 0.992 530 I CA -0.527 60.950 61.300 0.295 0.000 1.149 530 I CB 1.572 39.708 38.000 0.227 0.000 1.315 530 I HN 0.496 nan 8.210 nan 0.000 0.446 531 R N 4.273 124.996 120.500 0.372 0.000 2.628 531 R HA 0.347 4.683 4.340 -0.008 0.000 0.288 531 R C -0.896 175.603 176.300 0.332 0.000 0.980 531 R CA -0.804 55.453 56.100 0.263 0.000 0.891 531 R CB 2.368 32.748 30.300 0.134 0.000 1.188 531 R HN 0.516 nan 8.270 nan 0.000 0.450 532 E N 3.772 124.016 120.200 0.073 0.000 2.130 532 E HA 0.172 4.517 4.350 -0.008 0.000 0.284 532 E C -0.851 175.621 176.600 -0.214 0.000 1.018 532 E CA -0.548 55.773 56.400 -0.132 0.000 0.817 532 E CB 0.649 30.188 29.700 -0.268 0.000 1.078 532 E HN 0.169 nan 8.360 nan 0.000 0.396 533 L N 3.901 124.989 121.223 -0.225 0.000 2.358 533 L HA 0.537 4.872 4.340 -0.008 0.000 0.268 533 L C 0.016 176.779 176.870 -0.177 0.000 1.032 533 L CA -0.686 54.062 54.840 -0.152 0.000 0.805 533 L CB 1.361 43.369 42.059 -0.086 0.000 1.253 533 L HN 0.581 nan 8.230 nan 0.000 0.452 534 N N -0.637 117.992 118.700 -0.119 0.000 2.610 534 N HA 0.333 5.069 4.740 -0.008 0.000 0.264 534 N C -0.865 174.611 175.510 -0.055 0.000 1.348 534 N CA -0.666 52.323 53.050 -0.102 0.000 0.819 534 N CB 1.846 40.276 38.487 -0.095 0.000 1.521 534 N HN 0.381 nan 8.380 nan 0.000 0.497 535 K N 0.000 120.377 120.400 -0.038 0.000 2.780 535 K HA 0.000 4.315 4.320 -0.008 0.000 0.191 535 K CA 0.000 56.313 56.287 0.043 0.000 0.838 535 K CB 0.000 32.540 32.500 0.066 0.000 1.064 535 K HN 0.000 nan 8.250 nan 0.000 0.543