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 1wcq_1_C DATA FIRST_RESID 49 DATA SEQUENCE PLYTEQDLAV NGREGFPNYR IPALTVTPDG DLLASYDGRP TGIDAPGPNS DATA SEQUENCE ILQRRSTDGG RTWGEQQVVS AGQTTAPIKG FSDPSYLVDR ETGTIFNFHV DATA SEQUENCE YSQRQGFAGS RPGTDPADPN VLHANVATST DGGLTWSHRT ITADITPDPG DATA SEQUENCE WRSRFAASGE GIQLRYGPHA GRLIQQYTII NAAGAFQAVS VYSDDHGRTW DATA SEQUENCE RAGEAVGVGM DENKTVELSD GRVLLNSRDS ARSGYRKVAV STDGGHSYGP DATA SEQUENCE VTIDRDLPDP TNNASIIRAF PDAPAGSARA KVLLFSNAAS QTSRSQGTIR DATA SEQUENCE MScDDGQTWP VSKVFQPGSM SFSTLTALPD GTYGLLYEPG TGIRYANFNL DATA SEQUENCE AWLGGIcAPF TIPDVALEPG QQVTVPVAVT NQSGIAVPKP SLQLDASPDW DATA SEQUENCE QVQGSVEPLM PGRQAKGQVT ITVPAGTTPG RYRVGATLRT SAGNASTTFT DATA SEQUENCE VTVGLLDQAR MSIADVDSEE TAREDGRASN VIDGNPSTFW HTEWSRADAP DATA SEQUENCE GYPHRISLDL GGTHTISGLQ YTRRQNSANE QVADYEIYTS LNGTTWDGPV DATA SEQUENCE ASGRFTTSLA PQRAVFPARD ARYIRLVALS EQTGHKYAAV AELEVEGQR 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 49 P HA 0.000 nan 4.420 nan 0.000 0.216 49 P C 0.000 177.473 177.300 0.289 0.000 1.155 49 P CA 0.000 63.257 63.100 0.262 0.000 0.800 49 P CB 0.000 31.827 31.700 0.211 0.000 0.726 50 L N 2.427 123.843 121.223 0.321 0.000 2.381 50 L HA 0.838 5.168 4.340 -0.018 0.000 0.274 50 L C -1.905 175.058 176.870 0.155 0.000 0.988 50 L CA -0.656 54.307 54.840 0.205 0.000 0.824 50 L CB 1.906 44.041 42.059 0.128 0.000 1.263 50 L HN 0.393 nan 8.230 nan 0.000 0.410 51 Y N 3.837 124.082 120.300 -0.092 0.000 2.362 51 Y HA 0.689 5.228 4.550 -0.018 0.000 0.326 51 Y C -0.994 174.819 175.900 -0.146 0.000 1.083 51 Y CA -0.032 57.870 58.100 -0.331 0.000 1.073 51 Y CB 1.830 39.753 38.460 -0.895 0.000 1.211 51 Y HN 0.834 nan 8.280 nan 0.000 0.433 52 T N 1.990 116.212 114.554 -0.552 0.000 2.900 52 T HA 0.743 5.082 4.350 -0.018 0.000 0.303 52 T C -1.168 173.268 174.700 -0.439 0.000 1.142 52 T CA -0.954 60.973 62.100 -0.288 0.000 1.007 52 T CB 2.576 71.367 68.868 -0.128 0.000 1.156 52 T HN 0.637 nan 8.240 nan 0.000 0.490 53 E N 0.668 120.755 120.200 -0.190 0.000 2.393 53 E HA 0.581 4.920 4.350 -0.018 0.000 0.273 53 E C -1.237 175.334 176.600 -0.048 0.000 0.918 53 E CA -1.080 55.229 56.400 -0.151 0.000 0.773 53 E CB 2.562 32.251 29.700 -0.019 0.000 1.275 53 E HN 0.831 nan 8.360 nan 0.000 0.451 54 Q N 0.782 120.552 119.800 -0.049 0.000 2.353 54 Q HA 0.391 4.720 4.340 -0.018 0.000 0.275 54 Q C -1.549 174.375 176.000 -0.128 0.000 1.029 54 Q CA -0.981 54.801 55.803 -0.036 0.000 0.848 54 Q CB 1.648 30.412 28.738 0.044 0.000 1.390 54 Q HN 0.231 nan 8.270 nan 0.000 0.401 55 D N 2.383 122.694 120.400 -0.149 0.000 2.389 55 D HA 0.168 4.798 4.640 -0.018 0.000 0.247 55 D C 0.468 176.594 176.300 -0.290 0.000 1.128 55 D CA 0.047 53.909 54.000 -0.231 0.000 0.884 55 D CB 1.432 42.120 40.800 -0.186 0.000 1.194 55 D HN 0.588 nan 8.370 nan 0.000 0.441 56 L N 0.577 121.547 121.223 -0.421 0.000 2.515 56 L HA 0.279 4.609 4.340 -0.018 0.000 0.223 56 L C 0.628 177.193 176.870 -0.508 0.000 1.079 56 L CA 0.224 54.766 54.840 -0.496 0.000 0.857 56 L CB 0.341 41.996 42.059 -0.674 0.000 1.050 56 L HN 0.311 nan 8.230 nan 0.000 0.476 57 A N 0.175 122.627 122.820 -0.614 0.000 2.437 57 A HA 0.643 4.953 4.320 -0.018 0.000 0.293 57 A C -1.238 176.063 177.584 -0.472 0.000 1.038 57 A CA -0.296 51.264 52.037 -0.794 0.000 0.708 57 A CB 1.708 19.818 19.000 -1.483 0.000 1.251 57 A HN -0.164 nan 8.150 nan 0.000 0.409 58 V N 3.489 123.256 119.914 -0.246 0.000 2.444 58 V HA 0.277 4.386 4.120 -0.018 0.000 0.294 58 V C -0.299 175.920 176.094 0.209 0.000 1.022 58 V CA -1.174 61.112 62.300 -0.024 0.000 0.850 58 V CB 1.641 33.447 31.823 -0.029 0.000 0.992 58 V HN 0.898 nan 8.190 nan 0.000 0.426 59 N N 3.503 122.345 118.700 0.236 0.000 2.219 59 N HA 0.124 4.853 4.740 -0.018 0.000 0.263 59 N C 1.309 176.903 175.510 0.140 0.000 1.269 59 N CA 1.510 54.687 53.050 0.211 0.000 0.831 59 N CB 0.661 39.196 38.487 0.079 0.000 1.059 59 N HN 1.185 nan 8.380 nan 0.000 0.475 60 G N 0.856 109.728 108.800 0.119 0.000 2.234 60 G HA2 -0.287 3.663 3.960 -0.018 0.000 0.235 60 G HA3 -0.287 3.663 3.960 -0.018 0.000 0.235 60 G C 0.052 175.018 174.900 0.109 0.000 0.997 60 G CA -0.073 45.071 45.100 0.073 0.000 0.623 60 G HN 0.562 nan 8.290 nan 0.000 0.514 61 R N 0.509 121.127 120.500 0.197 0.000 2.460 61 R HA 0.673 5.003 4.340 -0.018 0.000 0.303 61 R C 0.695 177.148 176.300 0.255 0.000 0.968 61 R CA -0.342 55.855 56.100 0.160 0.000 0.889 61 R CB 0.805 31.167 30.300 0.103 0.000 1.123 61 R HN 0.229 nan 8.270 nan 0.000 0.455 62 E N 1.209 121.513 120.200 0.173 0.000 2.957 62 E HA -0.205 4.134 4.350 -0.018 0.000 0.287 62 E C 0.431 177.177 176.600 0.244 0.000 0.976 62 E CA 1.248 57.768 56.400 0.200 0.000 0.907 62 E CB -1.499 28.324 29.700 0.204 0.000 1.456 62 E HN 1.069 nan 8.360 nan 0.000 0.421 63 G N -1.083 107.777 108.800 0.101 0.000 2.211 63 G HA2 -0.241 3.708 3.960 -0.018 0.000 0.201 63 G HA3 -0.241 3.708 3.960 -0.018 0.000 0.201 63 G C -0.046 174.531 174.900 -0.538 0.000 0.997 63 G CA -0.053 44.935 45.100 -0.187 0.000 0.652 63 G HN 0.141 nan 8.290 nan 0.000 0.500 64 F N 0.679 120.586 119.950 -0.072 0.000 2.551 64 F HA 0.563 5.089 4.527 -0.001 0.000 0.316 64 F C -1.283 174.327 175.800 -0.317 0.000 1.089 64 F CA -1.973 55.840 58.000 -0.313 0.000 0.915 64 F CB 2.321 40.929 39.000 -0.655 0.000 1.186 64 F HN -0.179 nan 8.300 nan 0.000 0.456 65 P HA -0.093 nan 4.420 nan 0.000 0.233 65 P C -0.550 176.688 177.300 -0.103 0.000 1.167 65 P CA 1.011 64.069 63.100 -0.070 0.000 0.770 65 P CB 0.641 32.310 31.700 -0.053 0.000 0.837 66 N N -0.983 117.585 118.700 -0.219 0.000 2.371 66 N HA 0.185 4.915 4.740 -0.018 0.000 0.280 66 N C -1.934 173.347 175.510 -0.383 0.000 1.084 66 N CA -0.337 52.591 53.050 -0.203 0.000 0.892 66 N CB 1.562 39.983 38.487 -0.111 0.000 1.653 66 N HN -0.276 nan 8.380 nan 0.000 0.480 67 Y N 1.305 121.582 120.300 -0.039 0.000 2.442 67 Y HA 0.598 5.137 4.550 -0.017 0.000 0.344 67 Y C 0.261 176.097 175.900 -0.105 0.000 0.976 67 Y CA -0.625 57.434 58.100 -0.068 0.000 1.040 67 Y CB 1.974 40.367 38.460 -0.112 0.000 1.228 67 Y HN 0.288 nan 8.280 nan 0.000 0.451 68 R N 2.339 122.877 120.500 0.064 0.000 2.716 68 R HA 0.583 4.912 4.340 -0.018 0.000 0.271 68 R C -1.860 174.426 176.300 -0.023 0.000 1.028 68 R CA -1.015 55.054 56.100 -0.052 0.000 0.883 68 R CB 2.385 32.594 30.300 -0.150 0.000 1.250 68 R HN 0.650 nan 8.270 nan 0.000 0.465 69 I N -0.242 120.283 120.570 -0.074 0.000 6.568 69 I HA -0.114 4.046 4.170 -0.018 0.000 0.126 69 I C -2.579 173.631 176.117 0.155 0.000 1.827 69 I CA -0.561 60.759 61.300 0.033 0.000 2.037 69 I CB -1.739 36.275 38.000 0.023 0.000 3.509 69 I HN 0.489 nan 8.210 nan 0.000 0.169 70 P HA 0.586 nan 4.420 nan 0.000 0.284 70 P C -0.489 176.922 177.300 0.186 0.000 1.253 70 P CA -0.092 63.123 63.100 0.191 0.000 0.800 70 P CB 2.249 34.050 31.700 0.168 0.000 0.961 71 A N 3.132 126.064 122.820 0.187 0.000 2.422 71 A HA 0.710 5.019 4.320 -0.018 0.000 0.302 71 A C -1.672 176.142 177.584 0.383 0.000 1.041 71 A CA -0.639 51.524 52.037 0.211 0.000 0.708 71 A CB 1.203 20.214 19.000 0.018 0.000 1.257 71 A HN 0.530 nan 8.150 nan 0.000 0.414 72 L N 1.305 122.777 121.223 0.414 0.000 2.455 72 L HA 0.921 5.251 4.340 -0.018 0.000 0.264 72 L C -0.426 176.604 176.870 0.267 0.000 0.968 72 L CA 0.387 55.438 54.840 0.353 0.000 0.827 72 L CB 2.342 44.572 42.059 0.286 0.000 1.317 72 L HN 0.925 nan 8.230 nan 0.000 0.407 73 T N 2.538 117.150 114.554 0.098 0.000 2.802 73 T HA 0.676 5.015 4.350 -0.018 0.000 0.311 73 T C -1.881 172.779 174.700 -0.066 0.000 1.405 73 T CA -0.339 61.752 62.100 -0.014 0.000 1.016 73 T CB 1.404 70.192 68.868 -0.133 0.000 1.352 73 T HN 0.392 nan 8.240 nan 0.000 0.498 74 V N 3.356 123.241 119.914 -0.048 0.000 2.417 74 V HA 0.555 4.664 4.120 -0.018 0.000 0.291 74 V C 0.934 176.983 176.094 -0.074 0.000 1.024 74 V CA -0.681 61.580 62.300 -0.064 0.000 0.861 74 V CB 1.510 33.310 31.823 -0.038 0.000 0.985 74 V HN 1.119 nan 8.190 nan 0.000 0.436 75 T N 2.878 117.375 114.554 -0.096 0.000 2.813 75 T HA 0.240 4.579 4.350 -0.018 0.000 0.297 75 T C -1.629 173.034 174.700 -0.061 0.000 1.036 75 T CA -1.279 60.769 62.100 -0.086 0.000 1.044 75 T CB 1.087 69.893 68.868 -0.103 0.000 0.993 75 T HN 0.434 nan 8.240 nan 0.000 0.535 76 P HA -0.040 nan 4.420 nan 0.000 0.218 76 P C 0.838 178.109 177.300 -0.047 0.000 1.148 76 P CA 0.919 63.997 63.100 -0.037 0.000 0.822 76 P CB 0.015 31.693 31.700 -0.037 0.000 0.784 77 D N -2.194 118.168 120.400 -0.063 0.000 2.349 77 D HA 0.104 4.733 4.640 -0.018 0.000 0.224 77 D C 1.603 177.859 176.300 -0.072 0.000 1.029 77 D CA 1.075 55.036 54.000 -0.065 0.000 0.879 77 D CB -0.174 40.583 40.800 -0.071 0.000 0.906 77 D HN 0.185 nan 8.370 nan 0.000 0.528 78 G N 0.769 109.522 108.800 -0.077 0.000 2.195 78 G HA2 -0.215 3.734 3.960 -0.018 0.000 0.224 78 G HA3 -0.215 3.734 3.960 -0.018 0.000 0.224 78 G C -0.052 174.777 174.900 -0.119 0.000 0.990 78 G CA -0.351 44.696 45.100 -0.089 0.000 0.639 78 G HN 0.198 nan 8.290 nan 0.000 0.514 79 D N 0.531 120.855 120.400 -0.127 0.000 2.399 79 D HA 0.478 5.107 4.640 -0.018 0.000 0.241 79 D C 0.598 176.794 176.300 -0.174 0.000 1.133 79 D CA 0.092 53.993 54.000 -0.165 0.000 0.890 79 D CB 1.099 41.813 40.800 -0.143 0.000 1.201 79 D HN 0.145 nan 8.370 nan 0.000 0.432 80 L N 1.674 122.746 121.223 -0.250 0.000 2.334 80 L HA 0.400 4.729 4.340 -0.018 0.000 0.277 80 L C -0.152 176.668 176.870 -0.083 0.000 1.075 80 L CA -0.239 54.486 54.840 -0.193 0.000 0.804 80 L CB 0.827 42.698 42.059 -0.313 0.000 1.174 80 L HN 0.152 nan 8.230 nan 0.000 0.438 81 L N 3.057 124.289 121.223 0.015 0.000 2.376 81 L HA 0.779 5.108 4.340 -0.018 0.000 0.275 81 L C -0.410 176.626 176.870 0.277 0.000 0.987 81 L CA -0.678 54.223 54.840 0.101 0.000 0.828 81 L CB 1.822 43.757 42.059 -0.208 0.000 1.249 81 L HN 0.697 nan 8.230 nan 0.000 0.409 82 A N 2.353 125.424 122.820 0.419 0.000 2.318 82 A HA 0.770 5.079 4.320 -0.018 0.000 0.324 82 A C -0.465 177.333 177.584 0.357 0.000 1.170 82 A CA -0.398 51.853 52.037 0.357 0.000 0.810 82 A CB 1.723 20.761 19.000 0.063 0.000 1.198 82 A HN 0.566 nan 8.150 nan 0.000 0.484 83 S N 1.313 117.195 115.700 0.304 0.000 2.570 83 S HA 0.923 5.382 4.470 -0.018 0.000 0.286 83 S C -1.188 173.416 174.600 0.006 0.000 1.099 83 S CA -0.458 57.706 58.200 -0.060 0.000 0.913 83 S CB 0.977 63.974 63.200 -0.338 0.000 1.085 83 S HN 1.363 nan 8.310 nan 0.000 0.480 84 Y N -0.530 119.709 120.300 -0.102 0.000 2.741 84 Y HA 0.560 5.098 4.550 -0.019 0.000 0.339 84 Y C -1.373 174.457 175.900 -0.117 0.000 1.226 84 Y CA -1.376 56.673 58.100 -0.085 0.000 1.072 84 Y CB -0.048 38.371 38.460 -0.069 0.000 1.331 84 Y HN 0.371 nan 8.280 nan 0.000 0.453 85 D N 0.827 121.248 120.400 0.035 0.000 2.350 85 D HA 0.457 5.087 4.640 -0.018 0.000 0.249 85 D C 0.029 176.272 176.300 -0.095 0.000 1.119 85 D CA 0.447 54.393 54.000 -0.090 0.000 0.886 85 D CB 1.519 42.273 40.800 -0.076 0.000 1.195 85 D HN 0.957 nan 8.370 nan 0.000 0.437 86 G N 1.565 110.074 108.800 -0.484 0.000 2.343 86 G HA2 0.500 4.449 3.960 -0.018 0.000 0.319 86 G HA3 0.500 4.449 3.960 -0.018 0.000 0.319 86 G C -0.331 174.215 174.900 -0.590 0.000 1.126 86 G CA -0.746 43.675 45.100 -1.132 0.000 0.889 86 G HN 0.281 nan 8.290 nan 0.000 0.457 87 R N 3.409 123.749 120.500 -0.266 0.000 2.363 87 R HA 0.226 4.555 4.340 -0.018 0.000 0.297 87 R C -1.956 174.383 176.300 0.064 0.000 1.208 87 R CA -1.563 54.504 56.100 -0.055 0.000 1.121 87 R CB 2.412 32.653 30.300 -0.098 0.000 1.124 87 R HN 0.307 nan 8.270 nan 0.000 0.561 88 P HA -0.171 nan 4.420 nan 0.000 0.218 88 P C 0.917 178.223 177.300 0.010 0.000 1.146 88 P CA 1.452 64.603 63.100 0.086 0.000 0.813 88 P CB 0.359 32.099 31.700 0.066 0.000 0.778 89 T N -6.817 107.736 114.554 -0.002 0.000 3.200 89 T HA 0.470 4.809 4.350 -0.018 0.000 0.284 89 T C 1.161 175.841 174.700 -0.033 0.000 1.009 89 T CA 0.111 62.198 62.100 -0.021 0.000 0.907 89 T CB -0.515 68.340 68.868 -0.022 0.000 1.120 89 T HN 0.195 nan 8.240 nan 0.000 0.534 90 G N 2.230 111.006 108.800 -0.040 0.000 2.198 90 G HA2 -0.221 3.729 3.960 -0.018 0.000 0.260 90 G HA3 -0.221 3.729 3.960 -0.018 0.000 0.260 90 G C -0.001 174.862 174.900 -0.061 0.000 1.025 90 G CA 0.619 45.685 45.100 -0.056 0.000 0.769 90 G HN 1.207 nan 8.290 nan 0.000 0.507 91 I N -4.362 116.171 120.570 -0.061 0.000 3.074 91 I HA 0.737 4.896 4.170 -0.018 0.000 0.310 91 I C -0.331 175.739 176.117 -0.079 0.000 1.153 91 I CA -1.644 59.616 61.300 -0.067 0.000 0.993 91 I CB 1.519 39.486 38.000 -0.055 0.000 1.237 91 I HN -0.156 nan 8.210 nan 0.000 0.443 92 D N 2.022 122.370 120.400 -0.088 0.000 2.369 92 D HA 0.304 4.933 4.640 -0.018 0.000 0.241 92 D C 0.368 176.612 176.300 -0.094 0.000 1.271 92 D CA 0.101 54.039 54.000 -0.103 0.000 0.942 92 D CB 0.536 41.265 40.800 -0.119 0.000 1.129 92 D HN 0.839 nan 8.370 nan 0.000 0.476 93 A N 1.339 124.096 122.820 -0.105 0.000 2.584 93 A HA 0.155 4.464 4.320 -0.018 0.000 0.239 93 A C -1.507 176.023 177.584 -0.090 0.000 1.043 93 A CA -0.459 51.518 52.037 -0.100 0.000 0.756 93 A CB -0.169 18.767 19.000 -0.107 0.000 0.963 93 A HN 0.416 nan 8.150 nan 0.000 0.511 94 P HA 0.151 nan 4.420 nan 0.000 0.254 94 P C 0.648 177.902 177.300 -0.076 0.000 1.620 94 P CA 0.239 63.284 63.100 -0.092 0.000 1.050 94 P CB -0.189 31.454 31.700 -0.095 0.000 1.539 95 G N 3.043 111.804 108.800 -0.066 0.000 2.391 95 G HA2 0.053 4.002 3.960 -0.018 0.000 0.234 95 G HA3 0.053 4.002 3.960 -0.018 0.000 0.234 95 G C -1.931 172.942 174.900 -0.044 0.000 1.284 95 G CA -0.690 44.380 45.100 -0.049 0.000 0.873 95 G HN 0.133 nan 8.290 nan 0.000 0.549 96 P HA 0.066 nan 4.420 nan 0.000 0.226 96 P C -0.387 176.938 177.300 0.040 0.000 1.783 96 P CA -0.455 62.646 63.100 0.003 0.000 0.980 96 P CB -0.048 31.663 31.700 0.020 0.000 1.967 97 N N 0.335 119.043 118.700 0.012 0.000 2.424 97 N HA 0.261 4.991 4.740 -0.018 0.000 0.257 97 N C 0.235 175.787 175.510 0.069 0.000 1.250 97 N CA 0.044 53.103 53.050 0.015 0.000 0.946 97 N CB 0.449 38.912 38.487 -0.040 0.000 1.175 97 N HN 0.066 nan 8.380 nan 0.000 0.477 98 S N 0.144 115.833 115.700 -0.019 0.000 2.568 98 S HA 0.559 5.018 4.470 -0.018 0.000 0.293 98 S C -0.404 174.076 174.600 -0.200 0.000 1.089 98 S CA -0.715 57.462 58.200 -0.038 0.000 0.945 98 S CB 1.301 64.491 63.200 -0.015 0.000 1.077 98 S HN 0.255 nan 8.310 nan 0.000 0.485 99 I N 3.097 123.504 120.570 -0.270 0.000 2.359 99 I HA 0.444 4.603 4.170 -0.018 0.000 0.294 99 I C -0.409 175.462 176.117 -0.410 0.000 0.987 99 I CA -0.260 60.802 61.300 -0.397 0.000 1.225 99 I CB 0.658 38.300 38.000 -0.596 0.000 1.366 99 I HN 0.458 nan 8.210 nan 0.000 0.466 100 L N 5.377 126.300 121.223 -0.499 0.000 2.301 100 L HA 0.622 4.952 4.340 -0.018 0.000 0.264 100 L C -0.364 176.170 176.870 -0.560 0.000 1.016 100 L CA -0.713 53.823 54.840 -0.506 0.000 0.821 100 L CB 2.284 43.972 42.059 -0.619 0.000 1.346 100 L HN 0.543 nan 8.230 nan 0.000 0.429 101 Q N 1.144 120.742 119.800 -0.337 0.000 2.377 101 Q HA 0.551 4.880 4.340 -0.018 0.000 0.279 101 Q C -1.777 174.241 176.000 0.030 0.000 1.049 101 Q CA -0.820 54.908 55.803 -0.125 0.000 0.825 101 Q CB 2.858 31.622 28.738 0.044 0.000 1.401 101 Q HN 0.600 nan 8.270 nan 0.000 0.404 102 R N 1.758 122.363 120.500 0.175 0.000 2.750 102 R HA 0.554 4.883 4.340 -0.018 0.000 0.281 102 R C -1.001 175.533 176.300 0.389 0.000 0.972 102 R CA -0.901 55.367 56.100 0.279 0.000 0.912 102 R CB 2.471 32.959 30.300 0.312 0.000 1.187 102 R HN 0.547 nan 8.270 nan 0.000 0.464 103 R N 0.876 121.542 120.500 0.277 0.000 2.514 103 R HA 0.346 4.675 4.340 -0.018 0.000 0.301 103 R C -1.144 175.056 176.300 -0.168 0.000 0.962 103 R CA -0.263 55.888 56.100 0.086 0.000 0.882 103 R CB 1.981 32.293 30.300 0.020 0.000 1.143 103 R HN 0.549 nan 8.270 nan 0.000 0.452 104 S N 1.452 116.788 115.700 -0.606 0.000 2.456 104 S HA 0.180 4.639 4.470 -0.018 0.000 0.316 104 S C 0.474 174.761 174.600 -0.521 0.000 1.089 104 S CA -0.562 57.084 58.200 -0.924 0.000 1.101 104 S CB 1.309 63.418 63.200 -1.819 0.000 0.995 104 S HN 0.721 nan 8.310 nan 0.000 0.468 105 T N 0.330 114.665 114.554 -0.365 0.000 3.145 105 T HA 0.221 4.560 4.350 -0.018 0.000 0.255 105 T C 0.022 174.587 174.700 -0.226 0.000 1.039 105 T CA -0.074 61.877 62.100 -0.247 0.000 0.928 105 T CB -0.277 68.490 68.868 -0.167 0.000 1.029 105 T HN 0.627 nan 8.240 nan 0.000 0.554 106 D N -0.067 120.165 120.400 -0.280 0.000 2.720 106 D HA 0.343 4.972 4.640 -0.018 0.000 0.285 106 D C 1.271 177.443 176.300 -0.213 0.000 1.359 106 D CA -0.325 53.550 54.000 -0.208 0.000 0.818 106 D CB -0.244 40.455 40.800 -0.169 0.000 1.108 106 D HN 0.368 nan 8.370 nan 0.000 0.474 107 G N -0.512 108.135 108.800 -0.254 0.000 2.132 107 G HA2 0.016 3.965 3.960 -0.018 0.000 0.234 107 G HA3 0.016 3.965 3.960 -0.018 0.000 0.234 107 G C 1.114 175.884 174.900 -0.217 0.000 0.989 107 G CA 0.273 45.254 45.100 -0.199 0.000 0.676 107 G HN 1.453 nan 8.290 nan 0.000 0.522 108 G N -1.283 107.260 108.800 -0.428 0.000 2.179 108 G HA2 -0.229 3.720 3.960 -0.018 0.000 0.220 108 G HA3 -0.229 3.720 3.960 -0.018 0.000 0.220 108 G C 1.236 176.029 174.900 -0.178 0.000 0.990 108 G CA 0.989 45.817 45.100 -0.454 0.000 0.646 108 G HN 0.815 nan 8.290 nan 0.000 0.517 109 R N 0.496 120.883 120.500 -0.189 0.000 2.062 109 R HA 0.081 4.410 4.340 -0.018 0.000 0.229 109 R C 1.458 177.742 176.300 -0.026 0.000 1.128 109 R CA 1.837 57.910 56.100 -0.045 0.000 0.960 109 R CB -0.657 29.607 30.300 -0.059 0.000 0.855 109 R HN 0.740 nan 8.270 nan 0.000 0.432 110 T N -2.663 111.770 114.554 -0.202 0.000 2.916 110 T HA 0.541 4.880 4.350 -0.018 0.000 0.292 110 T C -1.247 173.237 174.700 -0.359 0.000 1.055 110 T CA -0.872 61.168 62.100 -0.099 0.000 1.009 110 T CB 1.920 70.750 68.868 -0.063 0.000 1.118 110 T HN 0.176 nan 8.240 nan 0.000 0.497 111 W N -0.180 121.084 121.300 -0.060 0.000 3.022 111 W HA 0.669 5.318 4.660 -0.018 0.000 0.335 111 W C 0.548 177.046 176.519 -0.035 0.000 1.133 111 W CA -0.645 56.662 57.345 -0.064 0.000 1.219 111 W CB 2.092 31.509 29.460 -0.072 0.000 1.409 111 W HN 1.190 nan 8.180 nan 0.000 0.507 112 G N 0.585 109.478 108.800 0.155 0.000 2.494 112 G HA2 0.295 4.244 3.960 -0.018 0.000 0.270 112 G HA3 0.295 4.244 3.960 -0.018 0.000 0.270 112 G C -0.362 174.615 174.900 0.128 0.000 1.423 112 G CA -0.699 44.462 45.100 0.102 0.000 1.055 112 G HN 0.473 nan 8.290 nan 0.000 0.536 113 E N -0.008 120.248 120.200 0.093 0.000 2.413 113 E HA 0.017 4.356 4.350 -0.018 0.000 0.263 113 E C 0.154 176.816 176.600 0.104 0.000 1.015 113 E CA 0.118 56.572 56.400 0.090 0.000 0.916 113 E CB 0.780 30.523 29.700 0.070 0.000 0.947 113 E HN 0.435 nan 8.360 nan 0.000 0.440 114 Q N 2.855 122.717 119.800 0.104 0.000 2.281 114 Q HA -0.025 4.304 4.340 -0.018 0.000 0.267 114 Q C -0.754 175.296 176.000 0.083 0.000 1.053 114 Q CA 0.361 56.225 55.803 0.101 0.000 0.905 114 Q CB 0.461 29.280 28.738 0.136 0.000 1.195 114 Q HN 0.375 nan 8.270 nan 0.000 0.398 115 Q N 1.874 121.704 119.800 0.050 0.000 2.297 115 Q HA 0.544 4.874 4.340 -0.018 0.000 0.269 115 Q C -1.154 174.841 176.000 -0.008 0.000 1.051 115 Q CA -1.052 54.779 55.803 0.048 0.000 0.869 115 Q CB 2.354 31.137 28.738 0.075 0.000 1.346 115 Q HN 0.448 nan 8.270 nan 0.000 0.457 116 V N 1.972 121.886 119.914 0.001 0.000 2.383 116 V HA 0.074 4.183 4.120 -0.018 0.000 0.275 116 V C 0.736 176.766 176.094 -0.106 0.000 1.036 116 V CA -0.108 62.158 62.300 -0.057 0.000 0.889 116 V CB 1.238 33.058 31.823 -0.004 0.000 0.985 116 V HN 0.730 nan 8.190 nan 0.000 0.459 117 V N 3.362 123.126 119.914 -0.252 0.000 2.446 117 V HA 0.045 4.154 4.120 -0.018 0.000 0.244 117 V C 0.896 176.830 176.094 -0.266 0.000 1.039 117 V CA 1.246 63.309 62.300 -0.394 0.000 1.045 117 V CB 0.376 31.745 31.823 -0.757 0.000 0.681 117 V HN 0.810 nan 8.190 nan 0.000 0.459 118 S N -0.218 115.250 115.700 -0.386 0.000 2.736 118 S HA 0.714 5.173 4.470 -0.018 0.000 0.285 118 S C -0.386 173.952 174.600 -0.436 0.000 1.163 118 S CA -0.387 57.452 58.200 -0.603 0.000 1.025 118 S CB 1.549 64.219 63.200 -0.883 0.000 1.030 118 S HN 0.438 nan 8.310 nan 0.000 0.486 119 A N 2.837 125.439 122.820 -0.364 0.000 2.269 119 A HA 0.705 5.015 4.320 -0.018 0.000 0.302 119 A C 0.802 178.484 177.584 0.163 0.000 1.266 119 A CA -0.347 51.649 52.037 -0.069 0.000 0.894 119 A CB -0.085 18.884 19.000 -0.051 0.000 1.147 119 A HN 0.858 nan 8.150 nan 0.000 0.537 120 G N 1.209 110.171 108.800 0.269 0.000 2.636 120 G HA2 0.438 4.387 3.960 -0.018 0.000 0.246 120 G HA3 0.438 4.387 3.960 -0.018 0.000 0.246 120 G C -0.208 174.803 174.900 0.184 0.000 1.216 120 G CA -0.278 44.997 45.100 0.293 0.000 0.854 120 G HN 0.768 nan 8.290 nan 0.000 0.572 121 Q N -0.469 119.418 119.800 0.144 0.000 2.363 121 Q HA 0.236 4.566 4.340 -0.018 0.000 0.265 121 Q C 0.912 176.947 176.000 0.058 0.000 1.032 121 Q CA -0.367 55.493 55.803 0.094 0.000 0.746 121 Q CB 1.522 30.320 28.738 0.100 0.000 1.237 121 Q HN 0.738 nan 8.270 nan 0.000 0.475 122 T N -2.538 112.040 114.554 0.041 0.000 3.067 122 T HA -0.027 4.312 4.350 -0.018 0.000 0.261 122 T C 1.024 175.731 174.700 0.011 0.000 1.110 122 T CA 0.402 62.515 62.100 0.021 0.000 1.113 122 T CB -0.063 68.811 68.868 0.010 0.000 0.917 122 T HN 0.556 nan 8.240 nan 0.000 0.499 123 T N 0.690 115.253 114.554 0.015 0.000 2.909 123 T HA 0.739 5.078 4.350 -0.018 0.000 0.286 123 T C 0.252 174.961 174.700 0.015 0.000 1.002 123 T CA -0.702 61.404 62.100 0.010 0.000 1.074 123 T CB 1.363 70.237 68.868 0.010 0.000 0.984 123 T HN 0.417 nan 8.240 nan 0.000 0.495 124 A N 4.107 126.933 122.820 0.009 0.000 2.498 124 A HA 0.489 4.799 4.320 -0.018 0.000 0.239 124 A C -1.402 176.193 177.584 0.018 0.000 1.068 124 A CA -1.183 50.860 52.037 0.011 0.000 0.766 124 A CB -0.770 18.233 19.000 0.005 0.000 1.003 124 A HN 0.847 nan 8.150 nan 0.000 0.497 125 P HA 0.220 nan 4.420 nan 0.000 0.276 125 P C -0.367 176.954 177.300 0.034 0.000 1.253 125 P CA -0.114 63.002 63.100 0.027 0.000 0.766 125 P CB 0.516 32.239 31.700 0.038 0.000 0.845 126 I N 3.560 124.140 120.570 0.017 0.000 2.692 126 I HA 0.080 4.240 4.170 -0.018 0.000 0.284 126 I C 1.008 177.136 176.117 0.019 0.000 1.159 126 I CA 0.394 61.702 61.300 0.013 0.000 1.423 126 I CB 0.166 38.159 38.000 -0.011 0.000 1.380 126 I HN 0.356 nan 8.210 nan 0.000 0.580 127 K N 3.606 124.028 120.400 0.037 0.000 2.464 127 K HA 0.676 4.985 4.320 -0.018 0.000 0.253 127 K C -0.393 176.150 176.600 -0.095 0.000 0.933 127 K CA -0.670 55.632 56.287 0.024 0.000 0.801 127 K CB 2.549 35.169 32.500 0.200 0.000 1.271 127 K HN 0.802 nan 8.250 nan 0.000 0.430 128 G N 1.555 110.176 108.800 -0.299 0.000 2.571 128 G HA2 0.736 4.685 3.960 -0.018 0.000 0.304 128 G HA3 0.736 4.685 3.960 -0.018 0.000 0.304 128 G C -1.575 172.944 174.900 -0.635 0.000 1.314 128 G CA -0.526 44.392 45.100 -0.303 0.000 0.975 128 G HN 0.325 nan 8.290 nan 0.000 0.485 129 F N 0.651 120.638 119.950 0.063 0.000 2.507 129 F HA 0.749 5.263 4.527 -0.021 0.000 0.328 129 F C 0.370 176.135 175.800 -0.058 0.000 1.136 129 F CA -0.791 57.229 58.000 0.034 0.000 0.930 129 F CB 2.790 41.717 39.000 -0.122 0.000 1.166 129 F HN 0.465 nan 8.300 nan 0.000 0.436 130 S N 1.475 117.249 115.700 0.124 0.000 2.537 130 S HA 0.543 5.002 4.470 -0.018 0.000 0.270 130 S C -1.835 172.822 174.600 0.094 0.000 1.142 130 S CA -0.659 57.566 58.200 0.043 0.000 0.870 130 S CB 1.022 64.218 63.200 -0.006 0.000 1.112 130 S HN 0.668 nan 8.310 nan 0.000 0.466 131 D N 1.832 122.268 120.400 0.061 0.000 3.293 131 D HA -0.071 4.559 4.640 -0.018 0.000 0.252 131 D C -2.724 173.642 176.300 0.110 0.000 1.073 131 D CA 0.566 54.633 54.000 0.111 0.000 0.957 131 D CB -0.385 40.524 40.800 0.182 0.000 0.987 131 D HN 0.294 nan 8.370 nan 0.000 0.422 132 P HA 0.311 nan 4.420 nan 0.000 0.282 132 P C -0.618 176.671 177.300 -0.018 0.000 1.249 132 P CA -0.376 62.717 63.100 -0.012 0.000 0.806 132 P CB 1.809 33.398 31.700 -0.185 0.000 0.984 133 S N 2.303 118.005 115.700 0.004 0.000 2.647 133 S HA 0.453 4.912 4.470 -0.018 0.000 0.300 133 S C -1.090 173.591 174.600 0.135 0.000 1.129 133 S CA -0.566 57.662 58.200 0.047 0.000 1.029 133 S CB 0.113 63.316 63.200 0.005 0.000 1.007 133 S HN 0.231 nan 8.310 nan 0.000 0.484 134 Y N 3.434 123.857 120.300 0.204 0.000 2.326 134 Y HA 0.557 5.097 4.550 -0.018 0.000 0.333 134 Y C 0.291 176.375 175.900 0.306 0.000 1.240 134 Y CA -0.422 57.835 58.100 0.263 0.000 1.365 134 Y CB 0.930 39.521 38.460 0.218 0.000 1.289 134 Y HN 0.518 nan 8.280 nan 0.000 0.548 135 L N 3.171 124.766 121.223 0.620 0.000 2.516 135 L HA 0.489 4.818 4.340 -0.018 0.000 0.267 135 L C -1.835 175.364 176.870 0.549 0.000 0.957 135 L CA -0.734 54.431 54.840 0.541 0.000 0.860 135 L CB 1.427 43.851 42.059 0.608 0.000 1.265 135 L HN 0.357 nan 8.230 nan 0.000 0.403 136 V N 3.133 123.270 119.914 0.371 0.000 2.398 136 V HA 0.273 4.382 4.120 -0.018 0.000 0.286 136 V C -0.222 176.054 176.094 0.302 0.000 1.026 136 V CA -0.573 61.894 62.300 0.278 0.000 0.868 136 V CB 1.595 33.505 31.823 0.144 0.000 0.982 136 V HN 0.605 nan 8.190 nan 0.000 0.443 137 D N 4.649 125.253 120.400 0.340 0.000 2.352 137 D HA 0.158 4.788 4.640 -0.018 0.000 0.245 137 D C 1.157 177.573 176.300 0.194 0.000 1.224 137 D CA -0.235 53.956 54.000 0.319 0.000 0.879 137 D CB 0.772 41.828 40.800 0.425 0.000 1.057 137 D HN 0.432 nan 8.370 nan 0.000 0.491 138 R N 2.553 123.148 120.500 0.159 0.000 2.307 138 R HA -0.011 4.318 4.340 -0.018 0.000 0.199 138 R C 1.023 177.373 176.300 0.083 0.000 1.000 138 R CA 0.515 56.675 56.100 0.099 0.000 1.023 138 R CB 0.525 30.875 30.300 0.083 0.000 0.908 138 R HN 0.560 nan 8.270 nan 0.000 0.473 139 E N -0.208 120.061 120.200 0.116 0.000 2.201 139 E HA -0.048 4.291 4.350 -0.018 0.000 0.193 139 E C 1.596 178.191 176.600 -0.008 0.000 0.957 139 E CA 1.383 57.825 56.400 0.070 0.000 0.858 139 E CB 0.314 30.093 29.700 0.133 0.000 0.816 139 E HN 0.285 nan 8.360 nan 0.000 0.475 140 T N -3.260 111.294 114.554 0.001 0.000 3.014 140 T HA 0.287 4.626 4.350 -0.018 0.000 0.250 140 T C 1.577 176.263 174.700 -0.024 0.000 1.060 140 T CA 0.496 62.563 62.100 -0.055 0.000 1.040 140 T CB 0.861 69.696 68.868 -0.055 0.000 0.971 140 T HN 0.266 nan 8.240 nan 0.000 0.497 141 G N 0.925 109.729 108.800 0.007 0.000 2.176 141 G HA2 -0.208 3.741 3.960 -0.018 0.000 0.232 141 G HA3 -0.208 3.741 3.960 -0.018 0.000 0.232 141 G C 0.170 175.032 174.900 -0.063 0.000 0.986 141 G CA 0.074 45.158 45.100 -0.027 0.000 0.643 141 G HN 0.716 nan 8.290 nan 0.000 0.522 142 T N 1.167 115.690 114.554 -0.050 0.000 2.910 142 T HA 0.641 4.981 4.350 -0.018 0.000 0.293 142 T C 0.459 175.006 174.700 -0.256 0.000 1.015 142 T CA 0.268 62.248 62.100 -0.201 0.000 1.094 142 T CB 1.473 70.229 68.868 -0.186 0.000 0.968 142 T HN 0.346 nan 8.240 nan 0.000 0.521 143 I N 2.264 122.568 120.570 -0.443 0.000 2.545 143 I HA 0.489 4.648 4.170 -0.018 0.000 0.292 143 I C -1.094 174.830 176.117 -0.321 0.000 1.040 143 I CA -0.861 60.324 61.300 -0.191 0.000 1.068 143 I CB 1.744 39.714 38.000 -0.051 0.000 1.251 143 I HN 0.480 nan 8.210 nan 0.000 0.424 144 F N 3.679 123.865 119.950 0.394 0.000 2.508 144 F HA 0.443 4.959 4.527 -0.018 0.000 0.325 144 F C 0.292 176.309 175.800 0.361 0.000 1.090 144 F CA -0.727 57.460 58.000 0.311 0.000 0.945 144 F CB 1.470 40.563 39.000 0.155 0.000 1.156 144 F HN 0.358 nan 8.300 nan 0.000 0.463 145 N N 2.995 121.851 118.700 0.260 0.000 2.531 145 N HA 0.291 5.021 4.740 -0.018 0.000 0.268 145 N C -1.612 173.811 175.510 -0.146 0.000 1.023 145 N CA -0.267 52.775 53.050 -0.015 0.000 0.896 145 N CB 0.609 38.848 38.487 -0.413 0.000 1.233 145 N HN 0.349 nan 8.380 nan 0.000 0.512 146 F N 3.892 123.790 119.950 -0.085 0.000 2.384 146 F HA 0.395 4.911 4.527 -0.018 0.000 0.338 146 F C 1.150 176.855 175.800 -0.159 0.000 1.103 146 F CA 0.234 58.106 58.000 -0.214 0.000 1.157 146 F CB 0.780 39.652 39.000 -0.213 0.000 1.167 146 F HN 0.443 nan 8.300 nan 0.000 0.529 147 H N -0.416 118.748 119.070 0.156 0.000 2.969 147 H HA 0.452 4.998 4.556 -0.016 0.000 0.304 147 H C -1.437 174.018 175.328 0.212 0.000 1.400 147 H CA -1.340 54.787 56.048 0.131 0.000 1.182 147 H CB 0.372 30.183 29.762 0.083 0.000 1.865 147 H HN 0.540 nan 8.280 nan 0.000 0.512 148 V N -0.162 119.955 119.914 0.339 0.000 3.003 148 V HA 0.339 4.448 4.120 -0.018 0.000 0.305 148 V C -0.612 175.707 176.094 0.374 0.000 1.078 148 V CA -0.465 62.009 62.300 0.289 0.000 1.083 148 V CB 0.772 32.693 31.823 0.162 0.000 1.039 148 V HN 0.724 nan 8.190 nan 0.000 0.481 149 Y N 4.247 124.640 120.300 0.156 0.000 2.338 149 Y HA 0.705 5.243 4.550 -0.020 0.000 0.328 149 Y C 0.010 175.868 175.900 -0.069 0.000 0.965 149 Y CA -0.876 57.200 58.100 -0.039 0.000 1.208 149 Y CB 1.011 39.563 38.460 0.154 0.000 1.132 149 Y HN 1.083 nan 8.280 nan 0.000 0.469 150 S N 4.519 120.009 115.700 -0.351 0.000 2.638 150 S HA 0.638 5.097 4.470 -0.018 0.000 0.298 150 S C -0.182 174.107 174.600 -0.519 0.000 1.111 150 S CA -0.520 57.444 58.200 -0.394 0.000 1.027 150 S CB 2.826 65.898 63.200 -0.213 0.000 1.064 150 S HN 0.852 nan 8.310 nan 0.000 0.525 151 Q N 0.314 119.881 119.800 -0.389 0.000 2.061 151 Q HA 0.338 4.668 4.340 -0.018 0.000 0.159 151 Q C 1.862 177.771 176.000 -0.151 0.000 0.530 151 Q CA -0.511 55.139 55.803 -0.255 0.000 0.728 151 Q CB 0.177 28.767 28.738 -0.247 0.000 1.004 151 Q HN 0.685 nan 8.270 nan 0.000 0.426 152 R N -0.006 120.416 120.500 -0.129 0.000 2.173 152 R HA 0.145 4.475 4.340 -0.018 0.000 0.208 152 R C 0.178 176.422 176.300 -0.093 0.000 1.035 152 R CA 0.553 56.599 56.100 -0.091 0.000 1.004 152 R CB 0.507 30.765 30.300 -0.069 0.000 0.917 152 R HN 0.237 nan 8.270 nan 0.000 0.462 153 Q N -0.269 119.462 119.800 -0.115 0.000 2.377 153 Q HA 0.413 4.742 4.340 -0.018 0.000 0.271 153 Q C -0.061 175.874 176.000 -0.107 0.000 1.077 153 Q CA -0.452 55.289 55.803 -0.103 0.000 0.820 153 Q CB 2.132 30.808 28.738 -0.104 0.000 1.347 153 Q HN 0.135 nan 8.270 nan 0.000 0.444 154 G N 0.076 108.825 108.800 -0.085 0.000 2.574 154 G HA2 0.231 4.181 3.960 -0.018 0.000 0.248 154 G HA3 0.231 4.181 3.960 -0.018 0.000 0.248 154 G C 0.169 175.047 174.900 -0.037 0.000 1.422 154 G CA -0.304 44.755 45.100 -0.068 0.000 1.051 154 G HN 0.515 nan 8.290 nan 0.000 0.560 155 F N 1.188 121.012 119.950 -0.209 0.000 2.102 155 F HA 0.014 4.530 4.527 -0.019 0.000 0.298 155 F C 2.692 178.409 175.800 -0.139 0.000 1.105 155 F CA 1.999 59.865 58.000 -0.223 0.000 1.239 155 F CB -0.442 38.297 39.000 -0.435 0.000 0.991 155 F HN 0.291 nan 8.300 nan 0.000 0.474 156 A N -0.112 122.574 122.820 -0.223 0.000 1.969 156 A HA 0.030 4.339 4.320 -0.018 0.000 0.218 156 A C 2.370 179.848 177.584 -0.178 0.000 1.169 156 A CA 1.495 53.392 52.037 -0.234 0.000 0.635 156 A CB -1.652 17.315 19.000 -0.056 0.000 0.810 156 A HN 0.509 nan 8.150 nan 0.000 0.445 157 G N -1.070 107.653 108.800 -0.129 0.000 2.683 157 G HA2 0.196 4.146 3.960 -0.018 0.000 0.213 157 G HA3 0.196 4.146 3.960 -0.018 0.000 0.213 157 G C 0.849 175.687 174.900 -0.104 0.000 1.142 157 G CA 0.720 45.761 45.100 -0.098 0.000 0.793 157 G HN 0.493 nan 8.290 nan 0.000 0.534 158 S N 0.361 115.985 115.700 -0.127 0.000 2.558 158 S HA 0.287 4.746 4.470 -0.018 0.000 0.288 158 S C 0.574 175.118 174.600 -0.093 0.000 1.318 158 S CA -0.131 58.001 58.200 -0.114 0.000 1.056 158 S CB 0.395 63.531 63.200 -0.107 0.000 0.853 158 S HN 0.421 nan 8.310 nan 0.000 0.505 159 R N 3.386 123.839 120.500 -0.078 0.000 2.787 159 R HA 0.508 4.838 4.340 -0.018 0.000 0.271 159 R C -2.641 173.639 176.300 -0.034 0.000 0.993 159 R CA -2.306 53.765 56.100 -0.049 0.000 0.993 159 R CB 0.527 30.802 30.300 -0.041 0.000 1.155 159 R HN 0.415 nan 8.270 nan 0.000 0.486 160 P HA 0.121 nan 4.420 nan 0.000 0.267 160 P C -0.383 176.919 177.300 0.003 0.000 1.200 160 P CA 0.313 63.419 63.100 0.010 0.000 0.772 160 P CB 0.616 32.327 31.700 0.019 0.000 0.855 161 G N 0.463 109.272 108.800 0.014 0.000 2.321 161 G HA2 0.294 4.243 3.960 -0.018 0.000 0.339 161 G HA3 0.294 4.243 3.960 -0.018 0.000 0.339 161 G C -0.183 174.745 174.900 0.046 0.000 1.518 161 G CA -0.058 45.057 45.100 0.025 0.000 0.994 161 G HN 0.603 nan 8.290 nan 0.000 0.668 162 T N -2.407 112.202 114.554 0.092 0.000 3.192 162 T HA 0.367 4.707 4.350 -0.018 0.000 0.295 162 T C 0.113 174.966 174.700 0.255 0.000 0.947 162 T CA 0.716 62.915 62.100 0.165 0.000 0.916 162 T CB 0.557 69.495 68.868 0.116 0.000 1.169 162 T HN 0.658 nan 8.240 nan 0.000 0.540 163 D N 2.948 123.473 120.400 0.207 0.000 2.383 163 D HA 0.260 4.889 4.640 -0.018 0.000 0.252 163 D C -1.322 175.106 176.300 0.214 0.000 1.166 163 D CA -1.843 52.259 54.000 0.170 0.000 0.879 163 D CB 1.424 42.292 40.800 0.113 0.000 1.164 163 D HN -0.048 nan 8.370 nan 0.000 0.462 164 P HA -0.186 nan 4.420 nan 0.000 0.217 164 P C 0.481 177.739 177.300 -0.070 0.000 1.148 164 P CA 1.321 64.269 63.100 -0.254 0.000 0.834 164 P CB 0.153 31.793 31.700 -0.099 0.000 0.783 165 A N -1.440 121.438 122.820 0.097 0.000 2.195 165 A HA -0.005 4.305 4.320 -0.018 0.000 0.210 165 A C 1.022 178.705 177.584 0.166 0.000 1.165 165 A CA 0.021 52.144 52.037 0.143 0.000 0.806 165 A CB -0.822 18.236 19.000 0.097 0.000 0.847 165 A HN 0.048 nan 8.150 nan 0.000 0.482 166 D N 1.355 121.885 120.400 0.216 0.000 2.426 166 D HA 0.023 4.652 4.640 -0.018 0.000 0.261 166 D C -1.343 174.997 176.300 0.068 0.000 1.245 166 D CA -1.387 52.696 54.000 0.138 0.000 0.917 166 D CB 1.036 41.914 40.800 0.129 0.000 1.123 166 D HN 0.197 nan 8.370 nan 0.000 0.508 167 P HA -0.047 nan 4.420 nan 0.000 0.233 167 P C 0.259 177.507 177.300 -0.086 0.000 1.167 167 P CA 0.438 63.512 63.100 -0.042 0.000 0.770 167 P CB 0.478 32.166 31.700 -0.020 0.000 0.837 168 N N -0.348 118.309 118.700 -0.072 0.000 2.214 168 N HA 0.103 4.832 4.740 -0.018 0.000 0.214 168 N C -0.103 175.329 175.510 -0.130 0.000 1.132 168 N CA 0.054 53.050 53.050 -0.091 0.000 0.856 168 N CB 1.217 39.669 38.487 -0.059 0.000 1.020 168 N HN 0.057 nan 8.380 nan 0.000 0.509 169 V N 1.792 121.586 119.914 -0.200 0.000 2.472 169 V HA 0.260 4.369 4.120 -0.018 0.000 0.290 169 V C 0.036 175.889 176.094 -0.401 0.000 1.037 169 V CA -0.885 61.218 62.300 -0.329 0.000 0.908 169 V CB 2.260 33.770 31.823 -0.521 0.000 0.985 169 V HN 0.026 nan 8.190 nan 0.000 0.454 170 L N 5.821 126.887 121.223 -0.262 0.000 2.295 170 L HA 0.383 4.713 4.340 -0.018 0.000 0.288 170 L C 0.160 176.958 176.870 -0.121 0.000 1.079 170 L CA 0.455 55.201 54.840 -0.158 0.000 0.830 170 L CB -0.249 41.798 42.059 -0.020 0.000 1.200 170 L HN 0.592 nan 8.230 nan 0.000 0.438 171 H N 3.451 122.547 119.070 0.044 0.000 2.505 171 H HA 0.475 5.019 4.556 -0.018 0.000 0.355 171 H C -0.330 175.128 175.328 0.217 0.000 1.179 171 H CA -0.123 56.012 56.048 0.146 0.000 1.343 171 H CB 1.589 31.483 29.762 0.221 0.000 1.501 171 H HN 0.691 nan 8.280 nan 0.000 0.569 172 A N 3.461 126.509 122.820 0.380 0.000 2.316 172 A HA 0.236 4.545 4.320 -0.018 0.000 0.311 172 A C 0.154 177.900 177.584 0.271 0.000 1.339 172 A CA -0.522 51.729 52.037 0.356 0.000 0.960 172 A CB -0.401 18.799 19.000 0.334 0.000 1.152 172 A HN 0.618 nan 8.150 nan 0.000 0.547 173 N N 0.066 118.883 118.700 0.195 0.000 2.459 173 N HA 0.661 5.391 4.740 -0.018 0.000 0.288 173 N C -1.115 174.243 175.510 -0.252 0.000 1.186 173 N CA -0.371 52.697 53.050 0.030 0.000 0.917 173 N CB 2.013 40.570 38.487 0.116 0.000 1.219 173 N HN 0.456 nan 8.380 nan 0.000 0.525 174 V N -0.156 119.569 119.914 -0.316 0.000 2.808 174 V HA 0.830 4.939 4.120 -0.018 0.000 0.308 174 V C -1.413 174.520 176.094 -0.268 0.000 1.099 174 V CA -0.665 61.307 62.300 -0.547 0.000 0.920 174 V CB 1.584 32.839 31.823 -0.947 0.000 1.014 174 V HN 0.776 nan 8.190 nan 0.000 0.425 175 A N 4.036 126.733 122.820 -0.204 0.000 2.292 175 A HA 0.859 5.168 4.320 -0.018 0.000 0.319 175 A C -0.036 177.697 177.584 0.247 0.000 1.206 175 A CA -0.390 51.611 52.037 -0.061 0.000 0.835 175 A CB 1.176 20.081 19.000 -0.158 0.000 1.164 175 A HN 0.912 nan 8.150 nan 0.000 0.505 176 T N 1.625 116.303 114.554 0.207 0.000 2.807 176 T HA 0.568 4.907 4.350 -0.018 0.000 0.279 176 T C -0.234 174.354 174.700 -0.188 0.000 0.993 176 T CA -0.308 61.811 62.100 0.032 0.000 0.970 176 T CB 1.311 70.210 68.868 0.052 0.000 0.950 176 T HN 0.730 nan 8.240 nan 0.000 0.441 177 S N 1.264 116.628 115.700 -0.561 0.000 2.561 177 S HA 0.486 4.945 4.470 -0.018 0.000 0.303 177 S C 0.919 175.200 174.600 -0.532 0.000 1.110 177 S CA -0.639 57.078 58.200 -0.804 0.000 1.034 177 S CB 0.966 63.178 63.200 -1.646 0.000 1.010 177 S HN 0.810 nan 8.310 nan 0.000 0.482 178 T N 0.094 114.418 114.554 -0.383 0.000 3.105 178 T HA 0.202 4.541 4.350 -0.018 0.000 0.253 178 T C 0.082 174.639 174.700 -0.238 0.000 1.047 178 T CA 0.045 61.986 62.100 -0.265 0.000 0.944 178 T CB -0.330 68.432 68.868 -0.177 0.000 1.016 178 T HN 0.631 nan 8.240 nan 0.000 0.544 179 D N 0.300 120.523 120.400 -0.295 0.000 2.696 179 D HA 0.370 4.999 4.640 -0.018 0.000 0.269 179 D C 1.287 177.447 176.300 -0.233 0.000 1.319 179 D CA -0.419 53.445 54.000 -0.228 0.000 0.826 179 D CB -0.294 40.387 40.800 -0.197 0.000 1.086 179 D HN 0.354 nan 8.370 nan 0.000 0.481 180 G N -0.410 108.236 108.800 -0.256 0.000 2.136 180 G HA2 0.000 3.950 3.960 -0.018 0.000 0.242 180 G HA3 0.000 3.950 3.960 -0.018 0.000 0.242 180 G C 1.126 175.892 174.900 -0.223 0.000 0.989 180 G CA 0.195 45.172 45.100 -0.205 0.000 0.682 180 G HN 1.412 nan 8.290 nan 0.000 0.522 181 G N -1.380 107.174 108.800 -0.410 0.000 2.157 181 G HA2 -0.249 3.701 3.960 -0.018 0.000 0.248 181 G HA3 -0.249 3.701 3.960 -0.018 0.000 0.248 181 G C 1.265 176.024 174.900 -0.235 0.000 0.979 181 G CA 0.888 45.750 45.100 -0.397 0.000 0.650 181 G HN 1.229 nan 8.290 nan 0.000 0.529 182 L N 0.506 121.566 121.223 -0.272 0.000 2.005 182 L HA 0.181 4.511 4.340 -0.018 0.000 0.207 182 L C 1.962 178.743 176.870 -0.149 0.000 1.072 182 L CA 1.954 56.711 54.840 -0.138 0.000 0.744 182 L CB -0.511 41.476 42.059 -0.120 0.000 0.895 182 L HN 0.610 nan 8.230 nan 0.000 0.433 183 T N -4.292 110.060 114.554 -0.337 0.000 2.916 183 T HA 0.484 4.823 4.350 -0.018 0.000 0.292 183 T C -1.470 172.902 174.700 -0.546 0.000 1.055 183 T CA -0.648 61.312 62.100 -0.234 0.000 1.009 183 T CB 1.779 70.582 68.868 -0.109 0.000 1.118 183 T HN 0.058 nan 8.240 nan 0.000 0.497 184 W N 1.224 122.474 121.300 -0.083 0.000 2.839 184 W HA 0.598 5.247 4.660 -0.018 0.000 0.334 184 W C 0.153 176.527 176.519 -0.240 0.000 1.064 184 W CA -0.688 56.538 57.345 -0.199 0.000 1.236 184 W CB 2.206 31.512 29.460 -0.256 0.000 1.405 184 W HN 0.997 nan 8.180 nan 0.000 0.478 185 S N 1.303 116.964 115.700 -0.065 0.000 2.654 185 S HA 0.702 5.162 4.470 -0.018 0.000 0.283 185 S C -1.011 173.437 174.600 -0.253 0.000 1.180 185 S CA -0.582 57.578 58.200 -0.065 0.000 1.021 185 S CB 1.197 64.399 63.200 0.003 0.000 1.018 185 S HN 0.516 nan 8.310 nan 0.000 0.532 186 H N 0.414 119.518 119.070 0.058 0.000 2.637 186 H HA 0.771 5.317 4.556 -0.016 0.000 0.363 186 H C 0.041 175.377 175.328 0.013 0.000 1.131 186 H CA -0.822 55.238 56.048 0.020 0.000 1.183 186 H CB 1.551 31.284 29.762 -0.049 0.000 1.637 186 H HN 0.837 nan 8.280 nan 0.000 0.531 187 R N 0.616 121.183 120.500 0.112 0.000 2.764 187 R HA 0.629 4.959 4.340 -0.018 0.000 0.270 187 R C -1.499 174.838 176.300 0.062 0.000 1.014 187 R CA -0.979 55.169 56.100 0.079 0.000 0.904 187 R CB 1.280 31.634 30.300 0.090 0.000 1.236 187 R HN 0.477 nan 8.270 nan 0.000 0.466 188 T N 2.328 116.917 114.554 0.059 0.000 2.771 188 T HA 0.342 4.681 4.350 -0.018 0.000 0.281 188 T C 0.918 175.671 174.700 0.088 0.000 0.982 188 T CA -0.768 61.376 62.100 0.073 0.000 0.978 188 T CB 0.780 69.647 68.868 -0.000 0.000 0.930 188 T HN 0.648 nan 8.240 nan 0.000 0.447 189 I N -0.341 120.295 120.570 0.110 0.000 3.974 189 I HA 0.194 4.353 4.170 -0.018 0.000 0.334 189 I C 1.483 177.672 176.117 0.120 0.000 1.437 189 I CA -0.438 60.933 61.300 0.117 0.000 1.113 189 I CB -0.402 37.664 38.000 0.110 0.000 1.063 189 I HN 0.400 nan 8.210 nan 0.000 0.400 190 T N 2.014 116.668 114.554 0.166 0.000 2.624 190 T HA -0.254 4.086 4.350 -0.018 0.000 0.268 190 T C 2.195 176.969 174.700 0.124 0.000 1.041 190 T CA 2.279 64.489 62.100 0.183 0.000 1.159 190 T CB -0.305 68.769 68.868 0.345 0.000 0.863 190 T HN 0.615 nan 8.240 nan 0.000 0.434 191 A N 2.102 124.993 122.820 0.118 0.000 1.908 191 A HA -0.193 4.116 4.320 -0.018 0.000 0.218 191 A C 2.074 179.686 177.584 0.046 0.000 1.181 191 A CA 1.974 54.056 52.037 0.074 0.000 0.627 191 A CB -0.779 18.262 19.000 0.068 0.000 0.818 191 A HN 0.405 nan 8.150 nan 0.000 0.445 192 D N -0.260 120.176 120.400 0.061 0.000 2.218 192 D HA -0.113 4.516 4.640 -0.018 0.000 0.204 192 D C 1.522 177.836 176.300 0.024 0.000 0.976 192 D CA 1.591 55.623 54.000 0.053 0.000 0.853 192 D CB -0.246 40.619 40.800 0.109 0.000 0.939 192 D HN 0.778 nan 8.370 nan 0.000 0.481 193 I N -3.269 117.313 120.570 0.020 0.000 4.009 193 I HA 0.241 4.401 4.170 -0.018 0.000 0.331 193 I C -0.357 175.794 176.117 0.056 0.000 1.462 193 I CA -0.119 61.178 61.300 -0.004 0.000 1.117 193 I CB 0.623 38.550 38.000 -0.121 0.000 1.091 193 I HN -0.360 nan 8.210 nan 0.000 0.410 194 T N 4.090 118.651 114.554 0.010 0.000 3.378 194 T HA 0.355 4.694 4.350 -0.018 0.000 0.359 194 T C -1.560 172.992 174.700 -0.246 0.000 1.815 194 T CA -0.786 61.292 62.100 -0.035 0.000 1.509 194 T CB 0.761 69.664 68.868 0.057 0.000 1.049 194 T HN 0.219 nan 8.240 nan 0.000 0.705 195 P HA 0.039 nan 4.420 nan 0.000 0.222 195 P C 0.139 177.149 177.300 -0.483 0.000 1.153 195 P CA 0.734 63.601 63.100 -0.388 0.000 0.798 195 P CB 0.375 31.858 31.700 -0.362 0.000 0.796 196 D N 0.539 120.418 120.400 -0.869 0.000 2.303 196 D HA 0.157 4.786 4.640 -0.018 0.000 0.236 196 D C -1.837 174.182 176.300 -0.468 0.000 1.068 196 D CA -2.440 51.118 54.000 -0.736 0.000 0.830 196 D CB 1.884 42.008 40.800 -1.125 0.000 1.109 196 D HN -0.060 nan 8.370 nan 0.000 0.496 197 P HA 0.102 nan 4.420 nan 0.000 0.237 197 P C 1.147 178.444 177.300 -0.005 0.000 1.178 197 P CA 0.219 63.266 63.100 -0.089 0.000 0.766 197 P CB 0.293 31.959 31.700 -0.056 0.000 0.876 198 G N -1.422 107.387 108.800 0.014 0.000 2.650 198 G HA2 -0.110 3.840 3.960 -0.018 0.000 0.214 198 G HA3 -0.110 3.840 3.960 -0.018 0.000 0.214 198 G C -0.164 174.906 174.900 0.284 0.000 1.136 198 G CA -0.243 44.932 45.100 0.126 0.000 0.789 198 G HN 0.140 nan 8.290 nan 0.000 0.536 199 W N 1.992 123.298 121.300 0.010 0.000 2.666 199 W HA 0.406 5.055 4.660 -0.018 0.000 0.365 199 W C 1.395 177.914 176.519 -0.001 0.000 1.224 199 W CA -1.438 55.914 57.345 0.012 0.000 1.515 199 W CB -0.090 29.378 29.460 0.014 0.000 1.562 199 W HN 0.278 nan 8.180 nan 0.000 0.455 200 R N 0.674 121.278 120.500 0.173 0.000 2.334 200 R HA 0.320 4.650 4.340 -0.018 0.000 0.216 200 R C 0.379 176.690 176.300 0.019 0.000 0.905 200 R CA -0.018 56.125 56.100 0.071 0.000 1.064 200 R CB 0.568 30.883 30.300 0.025 0.000 1.046 200 R HN 0.116 nan 8.270 nan 0.000 0.508 201 S N 0.373 116.093 115.700 0.034 0.000 2.537 201 S HA 0.554 5.014 4.470 -0.018 0.000 0.270 201 S C -1.851 172.865 174.600 0.194 0.000 1.142 201 S CA -0.993 57.228 58.200 0.035 0.000 0.870 201 S CB 1.306 64.385 63.200 -0.202 0.000 1.112 201 S HN 0.457 nan 8.310 nan 0.000 0.466 202 R N 1.616 122.319 120.500 0.337 0.000 2.663 202 R HA 0.621 4.950 4.340 -0.018 0.000 0.267 202 R C -1.844 174.785 176.300 0.549 0.000 1.038 202 R CA -0.814 55.542 56.100 0.427 0.000 0.886 202 R CB 0.502 30.974 30.300 0.287 0.000 1.249 202 R HN 0.721 nan 8.270 nan 0.000 0.463 203 F N -1.136 118.875 119.950 0.101 0.000 2.608 203 F HA 0.804 5.321 4.527 -0.017 0.000 0.309 203 F C -0.741 174.859 175.800 -0.333 0.000 1.103 203 F CA -1.316 56.654 58.000 -0.049 0.000 0.954 203 F CB 1.835 40.722 39.000 -0.187 0.000 1.267 203 F HN 0.795 nan 8.300 nan 0.000 0.444 204 A N 2.232 124.604 122.820 -0.746 0.000 2.477 204 A HA 0.570 4.879 4.320 -0.018 0.000 0.246 204 A C 0.411 177.563 177.584 -0.721 0.000 1.078 204 A CA -0.008 51.280 52.037 -1.248 0.000 0.770 204 A CB -0.218 18.136 19.000 -1.077 0.000 1.011 204 A HN 1.516 nan 8.150 nan 0.000 0.494 205 A N 3.364 125.756 122.820 -0.713 0.000 2.491 205 A HA 0.478 4.788 4.320 -0.018 0.000 0.261 205 A C 1.005 178.436 177.584 -0.256 0.000 1.101 205 A CA 0.332 52.081 52.037 -0.479 0.000 0.772 205 A CB -0.559 18.193 19.000 -0.414 0.000 1.043 205 A HN 1.801 nan 8.150 nan 0.000 0.501 206 S N 2.492 118.134 115.700 -0.096 0.000 2.572 206 S HA 0.675 5.134 4.470 -0.018 0.000 0.279 206 S C 0.869 175.469 174.600 0.000 0.000 1.341 206 S CA 0.200 58.409 58.200 0.015 0.000 1.043 206 S CB 1.151 64.452 63.200 0.168 0.000 0.887 206 S HN 2.431 nan 8.310 nan 0.000 0.516 207 G N 1.219 110.045 108.800 0.044 0.000 1.894 207 G HA2 0.092 4.041 3.960 -0.018 0.000 0.076 207 G HA3 0.092 4.041 3.960 -0.018 0.000 0.076 207 G C -0.962 174.010 174.900 0.119 0.000 0.954 207 G CA -0.122 45.022 45.100 0.073 0.000 1.214 207 G HN 1.024 nan 8.290 nan 0.000 0.409 208 E N 0.038 120.300 120.200 0.103 0.000 2.307 208 E HA 0.526 4.865 4.350 -0.018 0.000 0.280 208 E C 0.273 176.942 176.600 0.114 0.000 0.900 208 E CA -0.084 56.414 56.400 0.163 0.000 0.790 208 E CB 1.132 30.948 29.700 0.194 0.000 1.261 208 E HN 0.944 nan 8.360 nan 0.000 0.405 209 G N 3.315 112.194 108.800 0.132 0.000 2.535 209 G HA2 0.584 4.534 3.960 -0.018 0.000 0.282 209 G HA3 0.584 4.534 3.960 -0.018 0.000 0.282 209 G C 0.088 175.075 174.900 0.145 0.000 1.350 209 G CA -0.448 44.713 45.100 0.101 0.000 1.039 209 G HN 0.582 nan 8.290 nan 0.000 0.509 210 I N -3.504 117.149 120.570 0.138 0.000 3.042 210 I HA 0.667 4.827 4.170 -0.018 0.000 0.310 210 I C -1.061 175.144 176.117 0.147 0.000 1.117 210 I CA -1.124 60.255 61.300 0.132 0.000 1.003 210 I CB 2.490 40.547 38.000 0.096 0.000 1.228 210 I HN 0.470 nan 8.210 nan 0.000 0.443 211 Q N 3.385 123.259 119.800 0.123 0.000 2.333 211 Q HA 0.548 4.877 4.340 -0.018 0.000 0.267 211 Q C -1.503 174.527 176.000 0.050 0.000 1.012 211 Q CA -0.839 55.029 55.803 0.108 0.000 0.824 211 Q CB 2.185 31.002 28.738 0.131 0.000 1.290 211 Q HN 0.732 nan 8.270 nan 0.000 0.449 212 L N 3.736 124.981 121.223 0.036 0.000 2.456 212 L HA 0.128 4.458 4.340 -0.018 0.000 0.272 212 L C 1.195 178.046 176.870 -0.032 0.000 1.189 212 L CA -0.149 54.687 54.840 -0.006 0.000 0.846 212 L CB 0.357 42.435 42.059 0.032 0.000 1.111 212 L HN 0.666 nan 8.230 nan 0.000 0.475 213 R N 1.657 122.063 120.500 -0.156 0.000 2.279 213 R HA 0.168 4.498 4.340 -0.018 0.000 0.195 213 R C -0.488 175.806 176.300 -0.009 0.000 0.905 213 R CA 0.384 56.388 56.100 -0.160 0.000 1.044 213 R CB 0.182 30.283 30.300 -0.332 0.000 1.056 213 R HN 0.381 nan 8.270 nan 0.000 0.535 214 Y N -0.054 120.277 120.300 0.053 0.000 2.528 214 Y HA 0.584 5.123 4.550 -0.017 0.000 0.335 214 Y C 1.340 177.254 175.900 0.023 0.000 1.093 214 Y CA -0.948 57.173 58.100 0.036 0.000 1.134 214 Y CB 0.509 38.990 38.460 0.036 0.000 1.253 214 Y HN 0.324 nan 8.280 nan 0.000 0.478 215 G N 1.499 110.402 108.800 0.171 0.000 2.601 215 G HA2 -0.221 3.729 3.960 -0.018 0.000 0.252 215 G HA3 -0.221 3.729 3.960 -0.018 0.000 0.252 215 G C -1.789 173.095 174.900 -0.027 0.000 1.294 215 G CA -0.227 44.904 45.100 0.052 0.000 0.912 215 G HN 0.590 nan 8.290 nan 0.000 0.574 216 P HA 0.103 nan 4.420 nan 0.000 0.236 216 P C 0.678 177.737 177.300 -0.402 0.000 1.177 216 P CA 1.364 64.283 63.100 -0.301 0.000 0.773 216 P CB 0.040 31.485 31.700 -0.426 0.000 0.878 217 H N -0.487 118.583 119.070 0.000 0.000 2.594 217 H HA 0.393 4.939 4.556 -0.018 0.000 0.279 217 H C 0.697 176.023 175.328 -0.003 0.000 1.042 217 H CA -0.567 55.471 56.048 -0.018 0.000 1.177 217 H CB 0.006 29.735 29.762 -0.055 0.000 1.524 217 H HN 0.067 nan 8.280 nan 0.000 0.537 218 A N 1.031 123.901 122.820 0.084 0.000 2.600 218 A HA 0.240 4.549 4.320 -0.018 0.000 0.244 218 A C 1.632 179.258 177.584 0.070 0.000 1.016 218 A CA 1.349 53.432 52.037 0.076 0.000 0.778 218 A CB -0.525 18.521 19.000 0.077 0.000 0.920 218 A HN 0.694 nan 8.150 nan 0.000 0.513 219 G N 1.545 110.384 108.800 0.065 0.000 2.194 219 G HA2 -0.251 3.698 3.960 -0.018 0.000 0.236 219 G HA3 -0.251 3.698 3.960 -0.018 0.000 0.236 219 G C 0.471 175.361 174.900 -0.017 0.000 0.987 219 G CA 0.423 45.560 45.100 0.061 0.000 0.635 219 G HN 1.199 nan 8.290 nan 0.000 0.520 220 R N 0.828 121.332 120.500 0.008 0.000 2.489 220 R HA 0.467 4.796 4.340 -0.018 0.000 0.287 220 R C 0.249 176.576 176.300 0.045 0.000 1.053 220 R CA -0.304 55.794 56.100 -0.004 0.000 1.036 220 R CB 0.048 30.354 30.300 0.010 0.000 0.966 220 R HN 0.272 nan 8.270 nan 0.000 0.432 221 L N 6.580 127.836 121.223 0.056 0.000 2.276 221 L HA 0.399 4.729 4.340 -0.018 0.000 0.286 221 L C -0.171 176.883 176.870 0.307 0.000 1.061 221 L CA -0.474 54.482 54.840 0.195 0.000 0.807 221 L CB 1.106 43.299 42.059 0.222 0.000 1.177 221 L HN 0.585 nan 8.230 nan 0.000 0.429 222 I N 3.372 124.097 120.570 0.258 0.000 2.447 222 I HA 0.303 4.462 4.170 -0.018 0.000 0.287 222 I C -0.551 175.633 176.117 0.112 0.000 1.023 222 I CA -0.541 60.895 61.300 0.228 0.000 1.083 222 I CB 2.020 40.115 38.000 0.158 0.000 1.245 222 I HN 0.503 nan 8.210 nan 0.000 0.434 223 Q N 5.503 125.306 119.800 0.005 0.000 2.340 223 Q HA 0.390 4.719 4.340 -0.018 0.000 0.268 223 Q C -1.191 174.728 176.000 -0.136 0.000 1.031 223 Q CA -0.645 54.999 55.803 -0.266 0.000 0.804 223 Q CB 1.667 29.831 28.738 -0.958 0.000 1.286 223 Q HN 0.363 nan 8.270 nan 0.000 0.448 224 Q N 2.465 122.155 119.800 -0.184 0.000 2.293 224 Q HA 0.332 4.662 4.340 -0.018 0.000 0.251 224 Q C -1.037 174.784 176.000 -0.298 0.000 0.930 224 Q CA 0.212 55.928 55.803 -0.145 0.000 0.893 224 Q CB 0.743 29.372 28.738 -0.181 0.000 1.215 224 Q HN 0.652 nan 8.270 nan 0.000 0.425 225 Y N -0.684 119.445 120.300 -0.286 0.000 2.570 225 Y HA 0.412 4.951 4.550 -0.018 0.000 0.345 225 Y C 0.142 175.797 175.900 -0.409 0.000 1.014 225 Y CA -0.685 57.200 58.100 -0.359 0.000 1.063 225 Y CB 2.076 40.392 38.460 -0.240 0.000 1.272 225 Y HN 0.326 nan 8.280 nan 0.000 0.477 226 T N 3.994 118.305 114.554 -0.405 0.000 2.797 226 T HA 0.650 4.989 4.350 -0.018 0.000 0.279 226 T C -0.760 173.877 174.700 -0.105 0.000 0.991 226 T CA -0.462 61.426 62.100 -0.354 0.000 0.979 226 T CB 0.347 68.845 68.868 -0.616 0.000 0.943 226 T HN 0.445 nan 8.240 nan 0.000 0.444 227 I N 0.049 120.543 120.570 -0.127 0.000 2.957 227 I HA 0.722 4.881 4.170 -0.018 0.000 0.310 227 I C -0.956 175.111 176.117 -0.082 0.000 1.063 227 I CA -1.254 59.970 61.300 -0.127 0.000 1.033 227 I CB 1.353 39.006 38.000 -0.578 0.000 1.230 227 I HN 0.524 nan 8.210 nan 0.000 0.447 228 I N 3.882 124.399 120.570 -0.089 0.000 2.355 228 I HA 0.368 4.527 4.170 -0.018 0.000 0.288 228 I C -0.368 175.733 176.117 -0.028 0.000 0.999 228 I CA -0.650 60.611 61.300 -0.064 0.000 1.163 228 I CB 1.049 38.934 38.000 -0.191 0.000 1.316 228 I HN 0.819 nan 8.210 nan 0.000 0.454 229 N N 5.467 124.172 118.700 0.009 0.000 2.366 229 N HA 0.269 4.998 4.740 -0.018 0.000 0.277 229 N C 0.906 176.496 175.510 0.133 0.000 1.275 229 N CA -0.286 52.836 53.050 0.121 0.000 0.964 229 N CB 0.568 39.136 38.487 0.135 0.000 1.167 229 N HN 0.568 nan 8.380 nan 0.000 0.568 230 A N -0.963 121.952 122.820 0.159 0.000 2.015 230 A HA 0.125 4.435 4.320 -0.018 0.000 0.219 230 A C 2.039 179.668 177.584 0.074 0.000 1.163 230 A CA 1.620 53.720 52.037 0.104 0.000 0.646 230 A CB -1.360 17.697 19.000 0.096 0.000 0.806 230 A HN 0.848 nan 8.150 nan 0.000 0.448 231 A N -1.870 120.996 122.820 0.077 0.000 2.119 231 A HA 0.368 4.677 4.320 -0.018 0.000 0.217 231 A C 1.917 179.532 177.584 0.052 0.000 1.153 231 A CA 1.450 53.520 52.037 0.056 0.000 0.692 231 A CB -0.732 18.299 19.000 0.052 0.000 0.799 231 A HN 1.814 nan 8.150 nan 0.000 0.458 232 G N -2.378 106.462 108.800 0.068 0.000 2.176 232 G HA2 0.126 4.076 3.960 -0.018 0.000 0.232 232 G HA3 0.126 4.076 3.960 -0.018 0.000 0.232 232 G C 0.437 175.400 174.900 0.105 0.000 0.986 232 G CA 0.243 45.388 45.100 0.075 0.000 0.643 232 G HN 1.552 nan 8.290 nan 0.000 0.522 233 A N 0.237 123.117 122.820 0.100 0.000 2.445 233 A HA 0.619 4.928 4.320 -0.018 0.000 0.242 233 A C -0.072 177.700 177.584 0.313 0.000 1.075 233 A CA 0.134 52.243 52.037 0.120 0.000 0.777 233 A CB 0.134 19.176 19.000 0.070 0.000 1.013 233 A HN 0.609 nan 8.150 nan 0.000 0.493 234 F N 1.196 121.157 119.950 0.018 0.000 2.405 234 F HA 0.381 4.898 4.527 -0.017 0.000 0.355 234 F C 0.849 176.639 175.800 -0.017 0.000 1.121 234 F CA -0.426 57.604 58.000 0.050 0.000 1.112 234 F CB 1.119 40.190 39.000 0.119 0.000 1.126 234 F HN 0.583 nan 8.300 nan 0.000 0.481 235 Q N 1.522 121.362 119.800 0.067 0.000 2.399 235 Q HA 0.799 5.128 4.340 -0.018 0.000 0.276 235 Q C -0.848 175.075 176.000 -0.129 0.000 1.098 235 Q CA -1.330 54.440 55.803 -0.055 0.000 0.827 235 Q CB 2.891 31.546 28.738 -0.139 0.000 1.386 235 Q HN 0.670 nan 8.270 nan 0.000 0.443 236 A N 1.045 123.781 122.820 -0.141 0.000 2.304 236 A HA 0.693 5.002 4.320 -0.018 0.000 0.301 236 A C -0.881 176.592 177.584 -0.184 0.000 1.132 236 A CA -0.460 51.466 52.037 -0.185 0.000 0.819 236 A CB 1.197 20.064 19.000 -0.221 0.000 1.094 236 A HN 0.399 nan 8.150 nan 0.000 0.492 237 V N 1.699 121.524 119.914 -0.149 0.000 2.932 237 V HA 0.515 4.625 4.120 -0.018 0.000 0.307 237 V C -0.258 175.868 176.094 0.052 0.000 1.147 237 V CA -0.436 61.833 62.300 -0.051 0.000 0.951 237 V CB 2.524 34.278 31.823 -0.114 0.000 1.031 237 V HN 0.963 nan 8.190 nan 0.000 0.426 238 S N 4.110 119.912 115.700 0.169 0.000 2.489 238 S HA 0.587 5.047 4.470 -0.018 0.000 0.277 238 S C -0.405 174.377 174.600 0.302 0.000 1.230 238 S CA -0.295 58.056 58.200 0.251 0.000 1.053 238 S CB 1.306 64.719 63.200 0.355 0.000 0.955 238 S HN 0.609 nan 8.310 nan 0.000 0.488 239 V N 5.407 125.474 119.914 0.255 0.000 2.483 239 V HA 0.608 4.717 4.120 -0.018 0.000 0.295 239 V C -0.793 175.532 176.094 0.385 0.000 1.035 239 V CA -0.499 61.914 62.300 0.190 0.000 0.896 239 V CB 0.822 32.625 31.823 -0.034 0.000 0.986 239 V HN 0.865 nan 8.190 nan 0.000 0.447 240 Y N 1.894 122.385 120.300 0.318 0.000 2.597 240 Y HA 0.813 5.352 4.550 -0.018 0.000 0.340 240 Y C -0.533 175.440 175.900 0.122 0.000 1.097 240 Y CA -1.176 57.095 58.100 0.285 0.000 1.037 240 Y CB 1.932 40.464 38.460 0.121 0.000 1.305 240 Y HN 0.413 nan 8.280 nan 0.000 0.463 241 S N 0.615 116.288 115.700 -0.045 0.000 2.561 241 S HA 0.359 4.818 4.470 -0.018 0.000 0.303 241 S C -0.894 173.570 174.600 -0.226 0.000 1.110 241 S CA -0.650 57.261 58.200 -0.481 0.000 1.034 241 S CB 0.845 63.224 63.200 -1.369 0.000 1.010 241 S HN 0.770 nan 8.310 nan 0.000 0.482 242 D N 2.681 122.993 120.400 -0.147 0.000 2.342 242 D HA 0.127 4.756 4.640 -0.018 0.000 0.221 242 D C -0.055 176.114 176.300 -0.217 0.000 1.101 242 D CA 0.272 54.199 54.000 -0.123 0.000 0.837 242 D CB 0.431 41.238 40.800 0.011 0.000 0.938 242 D HN 0.745 nan 8.370 nan 0.000 0.508 243 D N -1.185 119.043 120.400 -0.287 0.000 2.819 243 D HA -0.023 4.606 4.640 -0.018 0.000 0.326 243 D C 0.031 176.277 176.300 -0.090 0.000 1.408 243 D CA -0.563 53.340 54.000 -0.160 0.000 0.811 243 D CB -0.623 40.128 40.800 -0.081 0.000 1.148 243 D HN -0.005 nan 8.370 nan 0.000 0.457 244 H N 0.128 119.141 119.070 -0.096 0.000 2.791 244 H HA -0.137 4.408 4.556 -0.018 0.000 0.302 244 H C 1.377 176.724 175.328 0.031 0.000 1.198 244 H CA 1.179 57.230 56.048 0.006 0.000 1.145 244 H CB -1.574 28.228 29.762 0.066 0.000 1.385 244 H HN 0.708 nan 8.280 nan 0.000 0.409 245 G N -0.566 108.038 108.800 -0.326 0.000 2.176 245 G HA2 -0.389 3.560 3.960 -0.018 0.000 0.253 245 G HA3 -0.389 3.560 3.960 -0.018 0.000 0.253 245 G C 1.338 176.104 174.900 -0.223 0.000 0.979 245 G CA 0.643 45.432 45.100 -0.519 0.000 0.641 245 G HN 0.532 nan 8.290 nan 0.000 0.530 246 R N 0.447 120.863 120.500 -0.140 0.000 2.080 246 R HA 0.094 4.423 4.340 -0.018 0.000 0.236 246 R C 1.586 177.822 176.300 -0.107 0.000 1.137 246 R CA 1.892 57.966 56.100 -0.043 0.000 0.943 246 R CB -0.316 29.978 30.300 -0.010 0.000 0.846 246 R HN 0.690 nan 8.270 nan 0.000 0.431 247 T N -3.074 111.312 114.554 -0.280 0.000 2.906 247 T HA 0.516 4.855 4.350 -0.018 0.000 0.295 247 T C -1.274 173.136 174.700 -0.485 0.000 1.061 247 T CA -0.951 61.018 62.100 -0.218 0.000 1.000 247 T CB 1.729 70.538 68.868 -0.099 0.000 1.103 247 T HN 0.180 nan 8.240 nan 0.000 0.486 248 W N 1.037 122.310 121.300 -0.046 0.000 2.936 248 W HA 0.740 5.390 4.660 -0.017 0.000 0.338 248 W C 0.013 176.445 176.519 -0.146 0.000 1.121 248 W CA -0.910 56.386 57.345 -0.081 0.000 1.209 248 W CB 2.002 31.465 29.460 0.005 0.000 1.420 248 W HN 1.070 nan 8.180 nan 0.000 0.516 249 R N 1.088 121.551 120.500 -0.061 0.000 2.774 249 R HA 0.944 5.273 4.340 -0.018 0.000 0.272 249 R C -1.157 175.003 176.300 -0.233 0.000 1.000 249 R CA -1.211 54.784 56.100 -0.176 0.000 0.906 249 R CB 1.391 31.522 30.300 -0.282 0.000 1.227 249 R HN 0.461 nan 8.270 nan 0.000 0.468 250 A N 1.257 124.024 122.820 -0.088 0.000 2.327 250 A HA 0.629 4.938 4.320 -0.018 0.000 0.283 250 A C 0.465 178.125 177.584 0.126 0.000 1.127 250 A CA 0.005 52.070 52.037 0.048 0.000 0.810 250 A CB 0.805 19.945 19.000 0.232 0.000 1.066 250 A HN 0.877 nan 8.150 nan 0.000 0.492 251 G N 0.411 109.389 108.800 0.297 0.000 2.514 251 G HA2 0.419 4.369 3.960 -0.018 0.000 0.245 251 G HA3 0.419 4.369 3.960 -0.018 0.000 0.245 251 G C -0.146 174.832 174.900 0.131 0.000 1.488 251 G CA -0.531 44.752 45.100 0.305 0.000 1.063 251 G HN 0.781 nan 8.290 nan 0.000 0.557 252 E N 0.057 120.202 120.200 -0.092 0.000 2.283 252 E HA 0.447 4.787 4.350 -0.018 0.000 0.278 252 E C 0.260 176.948 176.600 0.148 0.000 1.027 252 E CA -0.469 55.959 56.400 0.048 0.000 0.843 252 E CB 1.527 31.191 29.700 -0.061 0.000 1.062 252 E HN 0.522 nan 8.360 nan 0.000 0.401 253 A N 2.685 125.636 122.820 0.218 0.000 2.425 253 A HA 0.271 4.581 4.320 -0.018 0.000 0.242 253 A C -0.302 177.320 177.584 0.063 0.000 1.077 253 A CA -0.272 51.808 52.037 0.071 0.000 0.781 253 A CB 0.798 19.812 19.000 0.023 0.000 1.020 253 A HN 0.381 nan 8.150 nan 0.000 0.494 254 V N 1.361 121.275 119.914 0.000 0.000 2.760 254 V HA 0.724 4.833 4.120 -0.018 0.000 0.309 254 V C 0.309 176.390 176.094 -0.021 0.000 1.077 254 V CA 1.034 63.343 62.300 0.015 0.000 0.910 254 V CB 1.320 33.169 31.823 0.044 0.000 1.008 254 V HN 2.672 nan 8.190 nan 0.000 0.424 255 G N 3.997 112.801 108.800 0.006 0.000 2.795 255 G HA2 0.227 4.176 3.960 -0.018 0.000 0.664 255 G HA3 0.227 4.176 3.960 -0.018 0.000 0.664 255 G C -0.788 174.119 174.900 0.013 0.000 1.381 255 G CA 0.047 45.149 45.100 0.003 0.000 0.853 255 G HN 2.019 nan 8.290 nan 0.000 0.545 256 V N -3.055 116.869 119.914 0.016 0.000 3.141 256 V HA 0.961 5.070 4.120 -0.018 0.000 0.312 256 V C 1.585 177.691 176.094 0.020 0.000 1.157 256 V CA 0.213 62.526 62.300 0.023 0.000 1.041 256 V CB 1.035 32.864 31.823 0.009 0.000 1.071 256 V HN 3.059 nan 8.190 nan 0.000 0.441 257 G N 1.130 109.936 108.800 0.010 0.000 2.321 257 G HA2 -0.186 3.764 3.960 -0.018 0.000 0.287 257 G HA3 -0.186 3.764 3.960 -0.018 0.000 0.287 257 G C 0.103 175.042 174.900 0.065 0.000 1.018 257 G CA 0.951 46.051 45.100 -0.000 0.000 0.855 257 G HN 0.705 nan 8.290 nan 0.000 0.507 258 M N -0.699 118.973 119.600 0.120 0.000 2.114 258 M HA 0.629 5.098 4.480 -0.018 0.000 0.280 258 M C 0.659 177.076 176.300 0.195 0.000 1.209 258 M CA -0.310 55.052 55.300 0.104 0.000 1.044 258 M CB 0.680 33.301 32.600 0.034 0.000 1.404 258 M HN 0.299 nan 8.290 nan 0.000 0.499 259 D N -0.999 119.439 120.400 0.062 0.000 3.805 259 D HA 0.133 4.762 4.640 -0.018 0.000 0.358 259 D C -1.282 174.920 176.300 -0.164 0.000 1.539 259 D CA -0.441 53.576 54.000 0.027 0.000 0.948 259 D CB 0.655 41.534 40.800 0.131 0.000 1.486 259 D HN 0.524 nan 8.370 nan 0.000 0.594 260 E N 0.990 121.063 120.200 -0.212 0.000 2.558 260 E HA 0.141 4.481 4.350 -0.018 0.000 0.255 260 E C -0.022 176.437 176.600 -0.236 0.000 0.968 260 E CA 0.581 56.786 56.400 -0.325 0.000 0.939 260 E CB 0.132 29.668 29.700 -0.272 0.000 0.921 260 E HN 0.258 nan 8.360 nan 0.000 0.477 261 N N 2.008 120.557 118.700 -0.252 0.000 2.396 261 N HA 0.366 5.095 4.740 -0.018 0.000 0.275 261 N C -1.272 174.141 175.510 -0.160 0.000 1.218 261 N CA -0.987 51.957 53.050 -0.177 0.000 0.812 261 N CB 1.703 40.080 38.487 -0.184 0.000 1.592 261 N HN 0.040 nan 8.380 nan 0.000 0.480 262 K N 0.756 121.101 120.400 -0.091 0.000 2.426 262 K HA 0.550 4.860 4.320 -0.018 0.000 0.251 262 K C -0.532 176.068 176.600 0.001 0.000 0.941 262 K CA -0.398 55.862 56.287 -0.045 0.000 0.808 262 K CB 2.121 34.619 32.500 -0.004 0.000 1.265 262 K HN 0.848 nan 8.250 nan 0.000 0.432 263 T N -2.510 112.062 114.554 0.031 0.000 2.924 263 T HA 0.735 5.074 4.350 -0.018 0.000 0.291 263 T C -0.598 174.163 174.700 0.101 0.000 1.045 263 T CA -0.939 61.210 62.100 0.082 0.000 1.015 263 T CB 1.784 70.722 68.868 0.116 0.000 1.103 263 T HN 0.259 nan 8.240 nan 0.000 0.496 264 V N 0.328 120.313 119.914 0.120 0.000 2.851 264 V HA 0.517 4.626 4.120 -0.018 0.000 0.307 264 V C -1.157 175.001 176.094 0.107 0.000 1.129 264 V CA -0.796 61.573 62.300 0.115 0.000 0.932 264 V CB 1.938 33.844 31.823 0.139 0.000 1.024 264 V HN 1.135 nan 8.190 nan 0.000 0.426 265 E N 5.254 125.501 120.200 0.078 0.000 2.229 265 E HA 0.484 4.823 4.350 -0.018 0.000 0.283 265 E C -0.713 175.952 176.600 0.108 0.000 1.030 265 E CA -0.451 55.990 56.400 0.068 0.000 0.836 265 E CB 1.103 30.792 29.700 -0.018 0.000 1.068 265 E HN 0.671 nan 8.360 nan 0.000 0.401 266 L N 2.431 123.741 121.223 0.146 0.000 2.490 266 L HA 0.115 4.444 4.340 -0.018 0.000 0.245 266 L C 1.944 178.974 176.870 0.267 0.000 1.185 266 L CA -0.199 54.738 54.840 0.162 0.000 0.813 266 L CB 0.757 42.883 42.059 0.112 0.000 1.233 266 L HN 0.685 nan 8.230 nan 0.000 0.489 267 S N -0.645 115.177 115.700 0.203 0.000 2.419 267 S HA -0.170 4.290 4.470 -0.018 0.000 0.233 267 S C 0.989 175.619 174.600 0.051 0.000 1.016 267 S CA 1.168 59.481 58.200 0.189 0.000 0.974 267 S CB -0.411 62.840 63.200 0.084 0.000 0.786 267 S HN 0.840 nan 8.310 nan 0.000 0.492 268 D N -0.193 120.244 120.400 0.062 0.000 2.363 268 D HA 0.287 4.916 4.640 -0.018 0.000 0.214 268 D C 1.353 177.698 176.300 0.075 0.000 1.093 268 D CA 0.467 54.466 54.000 -0.002 0.000 0.837 268 D CB -0.376 40.424 40.800 0.001 0.000 0.948 268 D HN 0.576 nan 8.370 nan 0.000 0.507 269 G N 0.737 109.685 108.800 0.247 0.000 2.176 269 G HA2 -0.327 3.622 3.960 -0.018 0.000 0.253 269 G HA3 -0.327 3.622 3.960 -0.018 0.000 0.253 269 G C 0.389 175.385 174.900 0.160 0.000 0.979 269 G CA -0.090 45.197 45.100 0.310 0.000 0.641 269 G HN 0.441 nan 8.290 nan 0.000 0.530 270 R N -0.215 120.351 120.500 0.110 0.000 2.679 270 R HA 0.387 4.716 4.340 -0.018 0.000 0.268 270 R C 0.147 176.493 176.300 0.078 0.000 1.044 270 R CA 0.178 56.318 56.100 0.066 0.000 1.105 270 R CB 0.842 31.174 30.300 0.053 0.000 0.989 270 R HN 0.111 nan 8.270 nan 0.000 0.447 271 V N 4.506 124.451 119.914 0.051 0.000 2.370 271 V HA 0.189 4.298 4.120 -0.018 0.000 0.283 271 V C -0.363 175.840 176.094 0.182 0.000 1.023 271 V CA -0.751 61.609 62.300 0.101 0.000 0.857 271 V CB 1.326 33.194 31.823 0.075 0.000 0.985 271 V HN 0.440 nan 8.190 nan 0.000 0.443 272 L N 6.345 127.676 121.223 0.179 0.000 2.289 272 L HA 0.615 4.944 4.340 -0.018 0.000 0.285 272 L C -0.637 176.343 176.870 0.183 0.000 1.049 272 L CA 0.082 55.032 54.840 0.184 0.000 0.804 272 L CB 1.227 43.370 42.059 0.141 0.000 1.195 272 L HN 0.670 nan 8.230 nan 0.000 0.428 273 L N 5.813 127.125 121.223 0.148 0.000 2.307 273 L HA 0.542 4.871 4.340 -0.018 0.000 0.284 273 L C -0.879 175.988 176.870 -0.005 0.000 1.023 273 L CA -0.261 54.574 54.840 -0.009 0.000 0.810 273 L CB 1.016 42.885 42.059 -0.317 0.000 1.231 273 L HN 0.755 nan 8.230 nan 0.000 0.423 274 N N 3.324 122.025 118.700 0.002 0.000 2.491 274 N HA 0.263 4.993 4.740 -0.018 0.000 0.274 274 N C -1.775 173.734 175.510 -0.001 0.000 1.023 274 N CA -0.125 52.940 53.050 0.024 0.000 0.902 274 N CB 1.907 40.449 38.487 0.093 0.000 1.267 274 N HN 0.601 nan 8.380 nan 0.000 0.503 275 S N 2.347 118.036 115.700 -0.020 0.000 2.532 275 S HA 0.418 4.877 4.470 -0.018 0.000 0.301 275 S C -0.145 174.448 174.600 -0.012 0.000 1.083 275 S CA -0.802 57.373 58.200 -0.042 0.000 1.025 275 S CB 1.419 64.580 63.200 -0.065 0.000 1.056 275 S HN 0.638 nan 8.310 nan 0.000 0.494 276 R N 2.011 122.492 120.500 -0.032 0.000 2.623 276 R HA 0.070 4.400 4.340 -0.018 0.000 0.271 276 R C -0.959 175.353 176.300 0.020 0.000 1.043 276 R CA 0.041 56.133 56.100 -0.012 0.000 1.083 276 R CB 0.269 30.545 30.300 -0.039 0.000 0.974 276 R HN 0.586 nan 8.270 nan 0.000 0.436 277 D N 2.315 122.736 120.400 0.034 0.000 2.443 277 D HA 0.045 4.674 4.640 -0.018 0.000 0.221 277 D C 0.677 177.011 176.300 0.057 0.000 1.097 277 D CA -0.254 53.772 54.000 0.044 0.000 0.865 277 D CB 1.335 42.162 40.800 0.044 0.000 1.034 277 D HN 0.578 nan 8.370 nan 0.000 0.511 278 S N 2.345 118.096 115.700 0.085 0.000 2.515 278 S HA -0.058 4.402 4.470 -0.018 0.000 0.231 278 S C 1.675 176.277 174.600 0.003 0.000 0.987 278 S CA 0.476 58.727 58.200 0.085 0.000 0.936 278 S CB 0.044 63.349 63.200 0.176 0.000 0.766 278 S HN 0.388 nan 8.310 nan 0.000 0.528 279 A N 1.601 124.422 122.820 0.002 0.000 2.251 279 A HA 0.324 4.633 4.320 -0.018 0.000 0.209 279 A C 0.939 178.538 177.584 0.025 0.000 1.187 279 A CA -0.146 51.892 52.037 0.000 0.000 0.823 279 A CB -0.554 18.441 19.000 -0.008 0.000 0.846 279 A HN 0.545 nan 8.150 nan 0.000 0.486 280 R N -0.748 119.768 120.500 0.026 0.000 3.332 280 R HA -0.165 4.164 4.340 -0.018 0.000 0.263 280 R C 1.058 177.368 176.300 0.016 0.000 1.053 280 R CA 0.595 56.706 56.100 0.017 0.000 0.705 280 R CB -2.894 27.416 30.300 0.016 0.000 1.166 280 R HN 0.756 nan 8.270 nan 0.000 0.427 281 S N -0.514 115.207 115.700 0.035 0.000 2.447 281 S HA 0.018 4.477 4.470 -0.018 0.000 0.233 281 S C 1.620 176.210 174.600 -0.017 0.000 1.006 281 S CA 0.783 59.027 58.200 0.074 0.000 0.957 281 S CB 0.350 63.649 63.200 0.165 0.000 0.773 281 S HN 1.208 nan 8.310 nan 0.000 0.507 282 G N -0.255 108.468 108.800 -0.128 0.000 2.137 282 G HA2 -0.216 3.734 3.960 -0.018 0.000 0.237 282 G HA3 -0.216 3.734 3.960 -0.018 0.000 0.237 282 G C -0.204 174.281 174.900 -0.691 0.000 1.002 282 G CA 0.427 45.310 45.100 -0.362 0.000 0.702 282 G HN 0.592 nan 8.290 nan 0.000 0.515 283 Y N -1.368 118.919 120.300 -0.022 0.000 2.644 283 Y HA 0.750 5.290 4.550 -0.018 0.000 0.338 283 Y C 0.513 176.397 175.900 -0.026 0.000 1.119 283 Y CA -1.474 56.606 58.100 -0.032 0.000 1.060 283 Y CB 0.827 39.263 38.460 -0.040 0.000 1.294 283 Y HN 0.029 nan 8.280 nan 0.000 0.472 284 R N 1.402 121.991 120.500 0.148 0.000 2.539 284 R HA 0.325 4.654 4.340 -0.018 0.000 0.275 284 R C -0.777 175.552 176.300 0.049 0.000 1.077 284 R CA -0.512 55.628 56.100 0.067 0.000 1.097 284 R CB 0.449 30.749 30.300 0.000 0.000 1.018 284 R HN 0.636 nan 8.270 nan 0.000 0.483 285 K N 1.014 121.430 120.400 0.026 0.000 2.110 285 K HA 0.468 4.778 4.320 -0.018 0.000 0.263 285 K C -0.221 176.376 176.600 -0.005 0.000 0.975 285 K CA -0.749 55.544 56.287 0.010 0.000 0.895 285 K CB 1.772 34.275 32.500 0.005 0.000 1.060 285 K HN 0.451 nan 8.250 nan 0.000 0.448 286 V N -1.840 118.074 119.914 -0.001 0.000 3.007 286 V HA 0.958 5.067 4.120 -0.018 0.000 0.311 286 V C -1.334 174.773 176.094 0.021 0.000 1.120 286 V CA -0.744 61.562 62.300 0.010 0.000 0.980 286 V CB 1.718 33.558 31.823 0.028 0.000 1.033 286 V HN 0.905 nan 8.190 nan 0.000 0.429 287 A N 2.352 125.198 122.820 0.044 0.000 2.606 287 A HA 0.935 5.244 4.320 -0.018 0.000 0.293 287 A C -1.451 176.259 177.584 0.210 0.000 1.082 287 A CA -0.304 51.796 52.037 0.104 0.000 0.685 287 A CB 1.976 21.024 19.000 0.081 0.000 1.284 287 A HN 2.101 nan 8.150 nan 0.000 0.408 288 V N 0.277 120.337 119.914 0.242 0.000 2.876 288 V HA 0.821 4.930 4.120 -0.018 0.000 0.312 288 V C -0.285 175.879 176.094 0.116 0.000 1.085 288 V CA -0.116 62.317 62.300 0.221 0.000 0.945 288 V CB 2.246 34.134 31.823 0.108 0.000 1.017 288 V HN 1.341 nan 8.190 nan 0.000 0.428 289 S N 2.175 117.820 115.700 -0.092 0.000 2.478 289 S HA 0.456 4.916 4.470 -0.018 0.000 0.312 289 S C 0.688 175.193 174.600 -0.158 0.000 1.094 289 S CA 0.151 58.127 58.200 -0.374 0.000 1.081 289 S CB 1.463 64.110 63.200 -0.922 0.000 1.007 289 S HN 1.067 nan 8.310 nan 0.000 0.475 290 T N 0.193 114.681 114.554 -0.109 0.000 3.122 290 T HA 0.168 4.508 4.350 -0.018 0.000 0.250 290 T C 0.135 174.817 174.700 -0.030 0.000 1.067 290 T CA 0.042 62.116 62.100 -0.042 0.000 0.966 290 T CB -0.341 68.518 68.868 -0.016 0.000 1.002 290 T HN 0.638 nan 8.240 nan 0.000 0.542 291 D N 0.259 120.610 120.400 -0.081 0.000 2.788 291 D HA 0.323 4.952 4.640 -0.018 0.000 0.289 291 D C 1.224 177.426 176.300 -0.162 0.000 1.340 291 D CA -0.542 53.431 54.000 -0.044 0.000 0.831 291 D CB -0.375 40.416 40.800 -0.015 0.000 1.103 291 D HN 0.309 nan 8.370 nan 0.000 0.476 292 G N -0.145 108.580 108.800 -0.124 0.000 2.198 292 G HA2 -0.042 3.907 3.960 -0.018 0.000 0.260 292 G HA3 -0.042 3.907 3.960 -0.018 0.000 0.260 292 G C 1.184 175.893 174.900 -0.318 0.000 1.025 292 G CA 0.422 45.400 45.100 -0.203 0.000 0.769 292 G HN 1.481 nan 8.290 nan 0.000 0.507 293 G N -1.664 106.941 108.800 -0.325 0.000 2.176 293 G HA2 -0.263 3.686 3.960 -0.018 0.000 0.253 293 G HA3 -0.263 3.686 3.960 -0.018 0.000 0.253 293 G C 0.767 175.523 174.900 -0.240 0.000 0.979 293 G CA 1.591 46.502 45.100 -0.315 0.000 0.641 293 G HN 1.900 nan 8.290 nan 0.000 0.530 294 H N 1.329 120.164 119.070 -0.392 0.000 2.353 294 H HA 0.273 4.818 4.556 -0.018 0.000 0.300 294 H C 1.647 176.964 175.328 -0.019 0.000 1.090 294 H CA 2.662 58.611 56.048 -0.164 0.000 1.327 294 H CB 0.097 29.750 29.762 -0.180 0.000 1.383 294 H HN 0.853 nan 8.280 nan 0.000 0.508 295 S N -1.797 113.751 115.700 -0.252 0.000 2.627 295 S HA 0.483 4.942 4.470 -0.018 0.000 0.283 295 S C -1.508 172.883 174.600 -0.348 0.000 1.127 295 S CA -1.006 57.081 58.200 -0.187 0.000 0.863 295 S CB 1.830 64.976 63.200 -0.091 0.000 1.121 295 S HN 0.230 nan 8.310 nan 0.000 0.479 296 Y N -0.174 120.120 120.300 -0.009 0.000 2.536 296 Y HA 0.690 5.230 4.550 -0.018 0.000 0.347 296 Y C 1.131 177.038 175.900 0.012 0.000 1.000 296 Y CA -0.364 57.739 58.100 0.005 0.000 1.051 296 Y CB 1.963 40.425 38.460 0.002 0.000 1.259 296 Y HN 1.085 nan 8.280 nan 0.000 0.468 297 G N 1.350 110.238 108.800 0.147 0.000 2.489 297 G HA2 0.361 4.311 3.960 -0.018 0.000 0.271 297 G HA3 0.361 4.311 3.960 -0.018 0.000 0.271 297 G C -2.595 172.366 174.900 0.102 0.000 1.427 297 G CA -1.230 43.927 45.100 0.095 0.000 1.057 297 G HN 0.372 nan 8.290 nan 0.000 0.532 298 P HA 0.242 nan 4.420 nan 0.000 0.269 298 P C -0.375 176.955 177.300 0.049 0.000 1.209 298 P CA -0.366 62.764 63.100 0.051 0.000 0.776 298 P CB 0.928 32.649 31.700 0.035 0.000 0.876 299 V N 2.914 122.847 119.914 0.033 0.000 2.498 299 V HA 0.438 4.548 4.120 -0.018 0.000 0.279 299 V C 0.753 176.854 176.094 0.011 0.000 1.048 299 V CA 0.073 62.383 62.300 0.018 0.000 0.967 299 V CB 0.815 32.640 31.823 0.003 0.000 0.988 299 V HN 0.785 nan 8.190 nan 0.000 0.473 300 T N 1.936 116.494 114.554 0.007 0.000 2.887 300 T HA 0.732 5.071 4.350 -0.018 0.000 0.292 300 T C -0.666 174.028 174.700 -0.011 0.000 1.087 300 T CA -0.791 61.307 62.100 -0.004 0.000 1.009 300 T CB 1.656 70.520 68.868 -0.007 0.000 1.203 300 T HN 0.189 nan 8.240 nan 0.000 0.518 301 I N 2.155 122.709 120.570 -0.027 0.000 2.416 301 I HA 0.253 4.412 4.170 -0.018 0.000 0.288 301 I C 0.077 176.138 176.117 -0.093 0.000 1.051 301 I CA 0.056 61.331 61.300 -0.042 0.000 1.375 301 I CB 0.760 38.734 38.000 -0.044 0.000 1.407 301 I HN 0.646 nan 8.210 nan 0.000 0.516 302 D N 6.841 127.196 120.400 -0.075 0.000 2.456 302 D HA 0.151 4.781 4.640 -0.018 0.000 0.219 302 D C 0.995 177.175 176.300 -0.199 0.000 1.126 302 D CA -0.144 53.798 54.000 -0.096 0.000 0.890 302 D CB 0.569 41.339 40.800 -0.049 0.000 1.025 302 D HN 0.372 nan 8.370 nan 0.000 0.511 303 R N 2.000 122.287 120.500 -0.355 0.000 2.316 303 R HA -0.040 4.289 4.340 -0.018 0.000 0.202 303 R C 0.232 176.407 176.300 -0.209 0.000 1.029 303 R CA 0.457 56.164 56.100 -0.654 0.000 1.018 303 R CB 0.412 30.360 30.300 -0.586 0.000 0.888 303 R HN 0.458 nan 8.270 nan 0.000 0.471 304 D N 0.249 120.601 120.400 -0.080 0.000 2.347 304 D HA -0.008 4.622 4.640 -0.018 0.000 0.215 304 D C 0.391 176.647 176.300 -0.074 0.000 0.976 304 D CA 0.724 54.720 54.000 -0.006 0.000 0.884 304 D CB 0.361 41.244 40.800 0.139 0.000 0.915 304 D HN 0.159 nan 8.370 nan 0.000 0.526 305 L N 2.422 123.607 121.223 -0.064 0.000 2.445 305 L HA 0.302 4.632 4.340 -0.018 0.000 0.252 305 L C -2.499 174.446 176.870 0.126 0.000 1.105 305 L CA -1.799 52.958 54.840 -0.139 0.000 0.943 305 L CB 1.715 43.492 42.059 -0.470 0.000 1.277 305 L HN -0.327 nan 8.230 nan 0.000 0.465 306 P HA 0.198 nan 4.420 nan 0.000 0.272 306 P C -1.104 176.142 177.300 -0.090 0.000 1.223 306 P CA -0.014 63.016 63.100 -0.116 0.000 0.784 306 P CB 1.381 32.981 31.700 -0.165 0.000 0.923 307 D N 1.098 121.399 120.400 -0.165 0.000 2.886 307 D HA 0.272 4.901 4.640 -0.018 0.000 0.216 307 D C -2.355 173.876 176.300 -0.115 0.000 1.256 307 D CA -1.667 52.283 54.000 -0.084 0.000 0.844 307 D CB 1.617 42.408 40.800 -0.015 0.000 1.669 307 D HN 0.098 nan 8.370 nan 0.000 0.513 308 P HA 0.191 nan 4.420 nan 0.000 0.254 308 P C -0.981 176.300 177.300 -0.032 0.000 1.494 308 P CA 0.045 63.104 63.100 -0.069 0.000 0.961 308 P CB 0.082 31.749 31.700 -0.055 0.000 1.493 309 T N -1.098 113.443 114.554 -0.021 0.000 3.386 309 T HA -0.134 4.206 4.350 -0.018 0.000 0.422 309 T C -0.444 174.277 174.700 0.035 0.000 0.767 309 T CA 0.364 62.471 62.100 0.011 0.000 2.225 309 T CB -2.188 66.694 68.868 0.023 0.000 1.714 309 T HN 0.478 nan 8.240 nan 0.000 0.727 310 N N 0.623 119.324 118.700 0.002 0.000 2.823 310 N HA 0.524 5.253 4.740 -0.018 0.000 0.251 310 N C -0.978 174.419 175.510 -0.189 0.000 1.392 310 N CA -0.736 52.309 53.050 -0.008 0.000 0.864 310 N CB 1.237 39.739 38.487 0.025 0.000 1.481 310 N HN 0.219 nan 8.380 nan 0.000 0.508 311 N N 0.175 118.559 118.700 -0.526 0.000 2.347 311 N HA 0.780 5.509 4.740 -0.018 0.000 0.253 311 N C -1.071 174.194 175.510 -0.407 0.000 1.274 311 N CA 0.282 52.913 53.050 -0.699 0.000 0.941 311 N CB 0.973 38.539 38.487 -1.535 0.000 1.200 311 N HN 0.712 nan 8.380 nan 0.000 0.514 312 A N -0.768 121.849 122.820 -0.337 0.000 2.511 312 A HA 0.606 4.916 4.320 -0.018 0.000 0.293 312 A C -1.342 176.089 177.584 -0.255 0.000 1.098 312 A CA -0.352 51.486 52.037 -0.330 0.000 0.643 312 A CB 0.368 19.158 19.000 -0.350 0.000 1.302 312 A HN 0.820 nan 8.150 nan 0.000 0.446 313 S N -0.591 114.925 115.700 -0.308 0.000 2.556 313 S HA 0.797 5.257 4.470 -0.018 0.000 0.271 313 S C -1.255 173.329 174.600 -0.026 0.000 1.135 313 S CA -0.391 57.740 58.200 -0.115 0.000 0.858 313 S CB 1.458 64.624 63.200 -0.058 0.000 1.114 313 S HN 1.870 nan 8.310 nan 0.000 0.468 314 I N 2.921 123.565 120.570 0.124 0.000 2.571 314 I HA 0.681 4.840 4.170 -0.018 0.000 0.289 314 I C -1.463 174.766 176.117 0.186 0.000 1.115 314 I CA -1.052 60.400 61.300 0.253 0.000 1.045 314 I CB 1.419 39.634 38.000 0.358 0.000 1.238 314 I HN 0.960 nan 8.210 nan 0.000 0.424 315 I N 3.841 124.523 120.570 0.188 0.000 3.095 315 I HA 0.594 4.753 4.170 -0.018 0.000 0.310 315 I C -0.971 175.227 176.117 0.134 0.000 1.196 315 I CA -1.105 60.283 61.300 0.146 0.000 0.985 315 I CB 1.881 39.961 38.000 0.133 0.000 1.250 315 I HN 0.372 nan 8.210 nan 0.000 0.446 316 R N 2.375 122.944 120.500 0.115 0.000 2.442 316 R HA 0.327 4.657 4.340 -0.018 0.000 0.291 316 R C 0.804 177.138 176.300 0.055 0.000 1.069 316 R CA 0.424 56.585 56.100 0.101 0.000 1.022 316 R CB 1.382 31.750 30.300 0.114 0.000 0.976 316 R HN 0.961 nan 8.270 nan 0.000 0.443 317 A N 3.583 126.369 122.820 -0.058 0.000 1.968 317 A HA -0.038 4.271 4.320 -0.018 0.000 0.217 317 A C 0.318 177.630 177.584 -0.453 0.000 1.169 317 A CA 1.030 52.866 52.037 -0.334 0.000 0.638 317 A CB 0.064 18.677 19.000 -0.646 0.000 0.812 317 A HN 0.536 nan 8.150 nan 0.000 0.446 318 F N -0.648 119.416 119.950 0.190 0.000 2.550 318 F HA 0.350 4.866 4.527 -0.017 0.000 0.348 318 F C -1.943 173.929 175.800 0.119 0.000 1.219 318 F CA -2.358 55.733 58.000 0.151 0.000 1.203 318 F CB 1.348 40.426 39.000 0.130 0.000 1.436 318 F HN 0.026 nan 8.300 nan 0.000 0.541 319 P HA -0.072 nan 4.420 nan 0.000 0.226 319 P C 0.564 177.936 177.300 0.119 0.000 1.153 319 P CA 1.193 64.374 63.100 0.135 0.000 0.777 319 P CB 0.440 32.196 31.700 0.094 0.000 0.794 320 D N -0.628 119.865 120.400 0.155 0.000 2.339 320 D HA 0.151 4.780 4.640 -0.018 0.000 0.217 320 D C 0.898 177.294 176.300 0.160 0.000 1.050 320 D CA 0.042 54.119 54.000 0.129 0.000 0.856 320 D CB -0.158 40.706 40.800 0.107 0.000 0.922 320 D HN 0.082 nan 8.370 nan 0.000 0.518 321 A N 2.021 124.962 122.820 0.203 0.000 2.498 321 A HA 0.334 4.644 4.320 -0.018 0.000 0.239 321 A C -2.134 175.593 177.584 0.238 0.000 1.068 321 A CA -0.771 51.376 52.037 0.183 0.000 0.766 321 A CB -0.109 19.000 19.000 0.182 0.000 1.003 321 A HN -0.078 nan 8.150 nan 0.000 0.497 322 P HA 0.293 nan 4.420 nan 0.000 0.269 322 P C -0.038 177.255 177.300 -0.011 0.000 1.209 322 P CA 0.200 63.359 63.100 0.100 0.000 0.776 322 P CB 0.504 32.219 31.700 0.025 0.000 0.876 323 A N 2.527 125.148 122.820 -0.333 0.000 2.565 323 A HA 0.373 4.682 4.320 -0.018 0.000 0.237 323 A C 1.612 179.029 177.584 -0.278 0.000 1.053 323 A CA 0.785 52.394 52.037 -0.713 0.000 0.755 323 A CB -1.447 16.991 19.000 -0.938 0.000 0.980 323 A HN 0.911 nan 8.150 nan 0.000 0.506 324 G N 1.280 109.966 108.800 -0.190 0.000 2.189 324 G HA2 -0.219 3.730 3.960 -0.018 0.000 0.267 324 G HA3 -0.219 3.730 3.960 -0.018 0.000 0.267 324 G C 0.627 175.499 174.900 -0.047 0.000 0.975 324 G CA 1.196 46.240 45.100 -0.093 0.000 0.644 324 G HN 2.205 nan 8.290 nan 0.000 0.537 325 S N -0.375 115.308 115.700 -0.027 0.000 2.632 325 S HA 0.761 5.220 4.470 -0.018 0.000 0.267 325 S C 1.761 176.364 174.600 0.005 0.000 1.276 325 S CA 0.412 58.605 58.200 -0.011 0.000 0.998 325 S CB 1.783 64.978 63.200 -0.007 0.000 0.953 325 S HN 1.646 nan 8.310 nan 0.000 0.547 326 A N 1.847 124.663 122.820 -0.007 0.000 1.892 326 A HA -0.144 4.165 4.320 -0.018 0.000 0.218 326 A C 2.371 179.972 177.584 0.028 0.000 1.188 326 A CA 1.563 53.602 52.037 0.002 0.000 0.631 326 A CB -0.795 18.198 19.000 -0.013 0.000 0.822 326 A HN 0.906 nan 8.150 nan 0.000 0.447 327 R N -0.862 119.633 120.500 -0.009 0.000 2.092 327 R HA -0.011 4.318 4.340 -0.018 0.000 0.231 327 R C 2.362 178.802 176.300 0.233 0.000 1.119 327 R CA 0.983 57.086 56.100 0.006 0.000 0.970 327 R CB -0.416 29.689 30.300 -0.325 0.000 0.864 327 R HN 0.514 nan 8.270 nan 0.000 0.440 328 A N 1.336 124.259 122.820 0.172 0.000 2.125 328 A HA -0.154 4.155 4.320 -0.018 0.000 0.219 328 A C 1.595 179.291 177.584 0.186 0.000 1.156 328 A CA 1.215 53.386 52.037 0.223 0.000 0.671 328 A CB -0.153 18.979 19.000 0.220 0.000 0.794 328 A HN 0.212 nan 8.150 nan 0.000 0.459 329 K N -0.514 119.966 120.400 0.133 0.000 2.426 329 K HA 0.159 4.469 4.320 -0.018 0.000 0.193 329 K C -0.354 176.287 176.600 0.068 0.000 1.028 329 K CA -0.021 56.314 56.287 0.079 0.000 1.047 329 K CB 0.314 32.835 32.500 0.034 0.000 0.821 329 K HN 0.274 nan 8.250 nan 0.000 0.513 330 V N 2.930 122.933 119.914 0.148 0.000 2.432 330 V HA 0.210 4.320 4.120 -0.018 0.000 0.271 330 V C -0.058 176.085 176.094 0.083 0.000 1.046 330 V CA -0.322 62.054 62.300 0.128 0.000 0.945 330 V CB 0.816 32.802 31.823 0.272 0.000 0.992 330 V HN 0.130 nan 8.190 nan 0.000 0.471 331 L N 5.901 127.146 121.223 0.037 0.000 2.333 331 L HA 0.674 5.003 4.340 -0.018 0.000 0.269 331 L C -0.689 176.308 176.870 0.211 0.000 1.010 331 L CA -0.662 54.247 54.840 0.115 0.000 0.818 331 L CB 2.098 44.237 42.059 0.133 0.000 1.306 331 L HN 0.411 nan 8.230 nan 0.000 0.430 332 L N 1.877 123.239 121.223 0.233 0.000 2.362 332 L HA 0.562 4.891 4.340 -0.018 0.000 0.271 332 L C -1.192 175.904 176.870 0.376 0.000 1.002 332 L CA -0.454 54.550 54.840 0.273 0.000 0.818 332 L CB 2.288 44.379 42.059 0.054 0.000 1.298 332 L HN 0.362 nan 8.230 nan 0.000 0.420 333 F N 1.881 121.909 119.950 0.131 0.000 2.547 333 F HA 0.630 5.147 4.527 -0.017 0.000 0.316 333 F C -0.408 175.375 175.800 -0.028 0.000 1.121 333 F CA -0.419 57.564 58.000 -0.029 0.000 0.911 333 F CB 1.998 40.783 39.000 -0.358 0.000 1.179 333 F HN 0.431 nan 8.300 nan 0.000 0.443 334 S N 5.937 121.303 115.700 -0.558 0.000 2.482 334 S HA 0.828 5.287 4.470 -0.018 0.000 0.303 334 S C -1.151 172.996 174.600 -0.756 0.000 1.091 334 S CA -0.566 57.373 58.200 -0.435 0.000 1.057 334 S CB 1.939 65.033 63.200 -0.176 0.000 1.031 334 S HN 0.976 nan 8.310 nan 0.000 0.485 335 N N 0.537 118.968 118.700 -0.448 0.000 3.308 335 N HA 0.409 5.138 4.740 -0.018 0.000 0.276 335 N C -1.686 173.729 175.510 -0.159 0.000 1.533 335 N CA -0.715 52.136 53.050 -0.331 0.000 0.878 335 N CB 1.049 39.283 38.487 -0.421 0.000 1.566 335 N HN 0.885 nan 8.380 nan 0.000 0.546 336 A N -0.190 122.557 122.820 -0.123 0.000 2.310 336 A HA 0.675 4.984 4.320 -0.018 0.000 0.300 336 A C 1.038 178.561 177.584 -0.102 0.000 1.269 336 A CA 0.061 52.023 52.037 -0.124 0.000 0.909 336 A CB -0.325 18.627 19.000 -0.080 0.000 1.144 336 A HN 0.937 nan 8.150 nan 0.000 0.540 337 A N 2.481 125.230 122.820 -0.118 0.000 2.119 337 A HA 0.218 4.527 4.320 -0.018 0.000 0.216 337 A C 1.540 179.061 177.584 -0.104 0.000 1.152 337 A CA 0.983 52.965 52.037 -0.090 0.000 0.708 337 A CB -0.326 18.620 19.000 -0.089 0.000 0.805 337 A HN 0.948 nan 8.150 nan 0.000 0.460 338 S N -0.431 115.201 115.700 -0.113 0.000 2.562 338 S HA 0.104 4.563 4.470 -0.018 0.000 0.281 338 S C 0.828 175.355 174.600 -0.123 0.000 1.333 338 S CA -0.187 57.946 58.200 -0.112 0.000 1.052 338 S CB 0.579 63.718 63.200 -0.101 0.000 0.884 338 S HN 0.557 nan 8.310 nan 0.000 0.506 339 Q N 1.810 121.524 119.800 -0.144 0.000 2.408 339 Q HA 0.022 4.351 4.340 -0.018 0.000 0.205 339 Q C 1.703 177.627 176.000 -0.126 0.000 0.919 339 Q CA 1.048 56.747 55.803 -0.173 0.000 0.932 339 Q CB 0.210 28.806 28.738 -0.237 0.000 1.058 339 Q HN 0.980 nan 8.270 nan 0.000 0.517 340 T N -3.304 111.189 114.554 -0.102 0.000 3.018 340 T HA 0.116 4.455 4.350 -0.018 0.000 0.246 340 T C 0.898 175.560 174.700 -0.064 0.000 1.026 340 T CA 0.335 62.386 62.100 -0.082 0.000 1.081 340 T CB 0.448 69.268 68.868 -0.079 0.000 0.970 340 T HN 0.127 nan 8.240 nan 0.000 0.475 341 S N 0.042 115.704 115.700 -0.064 0.000 2.607 341 S HA 0.569 5.028 4.470 -0.018 0.000 0.273 341 S C -1.073 173.499 174.600 -0.046 0.000 1.148 341 S CA -1.224 56.947 58.200 -0.048 0.000 0.833 341 S CB 1.569 64.740 63.200 -0.047 0.000 1.130 341 S HN 0.246 nan 8.310 nan 0.000 0.470 342 R N 1.846 122.331 120.500 -0.025 0.000 3.247 342 R HA 0.425 4.754 4.340 -0.018 0.000 0.212 342 R C -0.016 176.264 176.300 -0.035 0.000 1.604 342 R CA 0.134 56.227 56.100 -0.012 0.000 1.279 342 R CB -0.443 29.874 30.300 0.028 0.000 1.277 342 R HN 0.822 nan 8.270 nan 0.000 0.669 343 S N -0.419 115.237 115.700 -0.073 0.000 2.727 343 S HA 0.186 4.645 4.470 -0.018 0.000 0.278 343 S C -0.523 173.979 174.600 -0.163 0.000 1.186 343 S CA -1.074 57.062 58.200 -0.107 0.000 0.836 343 S CB 1.564 64.713 63.200 -0.085 0.000 1.186 343 S HN 0.491 nan 8.310 nan 0.000 0.499 344 Q N -0.123 119.552 119.800 -0.208 0.000 2.464 344 Q HA -0.121 4.208 4.340 -0.018 0.000 0.304 344 Q C 0.388 176.162 176.000 -0.378 0.000 1.401 344 Q CA 0.432 56.082 55.803 -0.254 0.000 0.806 344 Q CB -1.932 26.700 28.738 -0.178 0.000 1.134 344 Q HN 1.169 nan 8.270 nan 0.000 0.411 345 G N 1.109 109.530 108.800 -0.632 0.000 2.272 345 G HA2 0.237 4.187 3.960 -0.018 0.000 0.247 345 G HA3 0.237 4.187 3.960 -0.018 0.000 0.247 345 G C -0.057 174.247 174.900 -0.995 0.000 1.272 345 G CA 0.459 44.918 45.100 -1.069 0.000 0.921 345 G HN 0.153 nan 8.290 nan 0.000 0.495 346 T N 3.010 117.337 114.554 -0.378 0.000 2.886 346 T HA 0.402 4.741 4.350 -0.018 0.000 0.292 346 T C -0.216 174.572 174.700 0.147 0.000 1.012 346 T CA -0.523 61.530 62.100 -0.079 0.000 0.982 346 T CB 1.488 70.303 68.868 -0.089 0.000 1.018 346 T HN 0.265 nan 8.240 nan 0.000 0.451 347 I N 3.266 123.949 120.570 0.189 0.000 2.331 347 I HA 0.423 4.583 4.170 -0.018 0.000 0.292 347 I C 0.624 176.806 176.117 0.109 0.000 0.998 347 I CA -0.594 60.770 61.300 0.106 0.000 1.267 347 I CB 0.978 38.961 38.000 -0.027 0.000 1.386 347 I HN 0.467 nan 8.210 nan 0.000 0.476 348 R N 5.841 126.445 120.500 0.173 0.000 2.664 348 R HA 0.718 5.047 4.340 -0.018 0.000 0.286 348 R C -0.621 175.931 176.300 0.420 0.000 0.967 348 R CA -0.827 55.422 56.100 0.248 0.000 0.933 348 R CB 2.666 33.050 30.300 0.139 0.000 1.146 348 R HN 0.542 nan 8.270 nan 0.000 0.468 349 M N 1.092 120.954 119.600 0.437 0.000 2.393 349 M HA 0.319 4.789 4.480 -0.018 0.000 0.316 349 M C -1.107 175.351 176.300 0.263 0.000 1.087 349 M CA -0.369 55.147 55.300 0.360 0.000 0.937 349 M CB 2.333 35.044 32.600 0.185 0.000 1.668 349 M HN 0.561 nan 8.290 nan 0.000 0.438 350 S N 2.184 117.844 115.700 -0.066 0.000 2.503 350 S HA 0.527 4.987 4.470 -0.018 0.000 0.301 350 S C -0.193 174.289 174.600 -0.197 0.000 1.087 350 S CA -0.790 57.146 58.200 -0.439 0.000 1.042 350 S CB 1.117 63.591 63.200 -1.210 0.000 1.043 350 S HN 0.927 nan 8.310 nan 0.000 0.489 351 c N 2.502 121.016 118.600 -0.145 0.000 3.000 351 c HA 0.389 4.948 4.570 -0.018 0.000 0.286 351 c C 0.188 174.238 174.090 -0.067 0.000 1.343 351 c CA -0.587 55.713 56.329 -0.047 0.000 1.742 351 c CB -1.721 40.793 42.510 0.007 0.000 2.200 351 c HN 0.897 nan 8.230 nan 0.000 0.621 352 D N -1.385 118.930 120.400 -0.142 0.000 2.992 352 D HA 0.146 4.776 4.640 -0.018 0.000 0.372 352 D C -0.129 176.082 176.300 -0.147 0.000 1.374 352 D CA -0.259 53.670 54.000 -0.118 0.000 0.769 352 D CB -0.666 40.066 40.800 -0.113 0.000 1.215 352 D HN -0.016 nan 8.370 nan 0.000 0.473 353 D N 0.177 120.500 120.400 -0.129 0.000 3.041 353 D HA -0.134 4.495 4.640 -0.018 0.000 0.220 353 D C 1.255 177.465 176.300 -0.150 0.000 1.157 353 D CA 1.711 55.659 54.000 -0.087 0.000 0.876 353 D CB -1.324 39.459 40.800 -0.027 0.000 1.107 353 D HN 0.849 nan 8.370 nan 0.000 0.422 354 G N -0.382 108.198 108.800 -0.365 0.000 2.141 354 G HA2 -0.397 3.553 3.960 -0.018 0.000 0.242 354 G HA3 -0.397 3.553 3.960 -0.018 0.000 0.242 354 G C 0.912 175.600 174.900 -0.353 0.000 0.982 354 G CA 0.821 45.631 45.100 -0.483 0.000 0.662 354 G HN 0.481 nan 8.290 nan 0.000 0.527 355 Q N -0.260 119.353 119.800 -0.312 0.000 2.046 355 Q HA 0.109 4.438 4.340 -0.018 0.000 0.200 355 Q C 1.603 177.465 176.000 -0.230 0.000 0.975 355 Q CA 1.742 57.429 55.803 -0.193 0.000 0.836 355 Q CB 0.051 28.710 28.738 -0.131 0.000 0.896 355 Q HN 0.838 nan 8.270 nan 0.000 0.428 356 T N -4.190 110.129 114.554 -0.393 0.000 2.883 356 T HA 0.487 4.827 4.350 -0.018 0.000 0.296 356 T C -1.649 172.727 174.700 -0.540 0.000 1.117 356 T CA -0.869 61.067 62.100 -0.274 0.000 1.006 356 T CB 0.985 69.774 68.868 -0.132 0.000 1.191 356 T HN 0.235 nan 8.240 nan 0.000 0.508 357 W N 1.881 123.156 121.300 -0.042 0.000 2.104 357 W HA 0.381 5.031 4.660 -0.017 0.000 0.291 357 W C -2.009 174.499 176.519 -0.017 0.000 0.936 357 W CA -1.885 55.444 57.345 -0.027 0.000 1.856 357 W CB 1.400 30.830 29.460 -0.050 0.000 2.036 357 W HN 0.592 nan 8.180 nan 0.000 0.393 358 P HA -0.057 nan 4.420 nan 0.000 0.219 358 P C 0.387 177.768 177.300 0.134 0.000 1.150 358 P CA 1.091 64.258 63.100 0.112 0.000 0.814 358 P CB 0.863 32.626 31.700 0.105 0.000 0.787 359 V N 1.225 121.230 119.914 0.151 0.000 2.407 359 V HA 0.402 4.512 4.120 -0.018 0.000 0.278 359 V C 0.435 176.603 176.094 0.122 0.000 1.037 359 V CA -0.179 62.193 62.300 0.121 0.000 0.900 359 V CB 1.184 33.073 31.823 0.109 0.000 0.983 359 V HN 0.268 nan 8.190 nan 0.000 0.459 360 S N 4.626 120.355 115.700 0.048 0.000 2.541 360 S HA 0.823 5.283 4.470 -0.018 0.000 0.271 360 S C -1.183 173.367 174.600 -0.084 0.000 1.133 360 S CA -0.915 57.293 58.200 0.014 0.000 0.876 360 S CB 2.325 65.539 63.200 0.024 0.000 1.105 360 S HN 0.701 nan 8.310 nan 0.000 0.470 361 K N 1.832 122.158 120.400 -0.123 0.000 2.525 361 K HA 0.555 4.865 4.320 -0.018 0.000 0.254 361 K C -1.618 174.910 176.600 -0.121 0.000 0.934 361 K CA -0.763 55.375 56.287 -0.248 0.000 0.802 361 K CB 2.182 34.292 32.500 -0.649 0.000 1.295 361 K HN 0.623 nan 8.250 nan 0.000 0.433 362 V N 6.248 126.083 119.914 -0.132 0.000 2.470 362 V HA 0.074 4.183 4.120 -0.018 0.000 0.276 362 V C 0.750 176.841 176.094 -0.005 0.000 1.040 362 V CA 0.194 62.417 62.300 -0.127 0.000 1.008 362 V CB 0.156 31.882 31.823 -0.162 0.000 0.990 362 V HN 0.783 nan 8.190 nan 0.000 0.477 363 F N 2.518 122.426 119.950 -0.071 0.000 2.656 363 F HA 0.416 4.932 4.527 -0.018 0.000 0.291 363 F C 0.786 176.443 175.800 -0.240 0.000 1.122 363 F CA -0.163 57.709 58.000 -0.214 0.000 1.427 363 F CB 0.271 39.090 39.000 -0.301 0.000 1.125 363 F HN 0.471 nan 8.300 nan 0.000 0.583 364 Q N 2.002 121.409 119.800 -0.655 0.000 2.650 364 Q HA 0.355 4.685 4.340 -0.018 0.000 0.239 364 Q C -2.420 173.371 176.000 -0.349 0.000 0.893 364 Q CA -2.180 53.372 55.803 -0.418 0.000 0.755 364 Q CB 1.578 30.033 28.738 -0.471 0.000 1.349 364 Q HN -0.080 nan 8.270 nan 0.000 0.461 365 P HA -0.052 nan 4.420 nan 0.000 0.218 365 P C 0.545 177.769 177.300 -0.127 0.000 1.149 365 P CA 1.262 64.269 63.100 -0.155 0.000 0.817 365 P CB 0.351 31.992 31.700 -0.099 0.000 0.785 366 G N -0.179 108.567 108.800 -0.091 0.000 2.666 366 G HA2 0.164 4.114 3.960 -0.018 0.000 0.207 366 G HA3 0.164 4.114 3.960 -0.018 0.000 0.207 366 G C -0.476 174.390 174.900 -0.058 0.000 1.481 366 G CA -0.209 44.857 45.100 -0.057 0.000 1.071 366 G HN 0.178 nan 8.290 nan 0.000 0.572 367 S N 0.027 115.717 115.700 -0.017 0.000 2.544 367 S HA 0.354 4.813 4.470 -0.018 0.000 0.290 367 S C -0.073 174.550 174.600 0.038 0.000 1.276 367 S CA 0.209 58.410 58.200 0.002 0.000 1.075 367 S CB -0.195 63.015 63.200 0.016 0.000 0.849 367 S HN 0.390 nan 8.310 nan 0.000 0.494 368 M N 5.044 124.655 119.600 0.019 0.000 2.221 368 M HA 0.293 4.762 4.480 -0.018 0.000 0.259 368 M C -0.393 175.961 176.300 0.090 0.000 1.001 368 M CA -0.231 55.108 55.300 0.065 0.000 1.009 368 M CB 1.270 33.785 32.600 -0.142 0.000 1.939 368 M HN 0.733 nan 8.290 nan 0.000 0.477 369 S N 3.419 119.227 115.700 0.179 0.000 2.965 369 S HA 0.519 4.979 4.470 -0.018 0.000 0.165 369 S C -0.166 174.666 174.600 0.387 0.000 0.735 369 S CA -0.030 58.310 58.200 0.234 0.000 0.985 369 S CB 0.140 63.436 63.200 0.160 0.000 0.675 369 S HN 0.576 nan 8.310 nan 0.000 0.592 370 F N 3.050 123.045 119.950 0.075 0.000 2.399 370 F HA 0.540 5.058 4.527 -0.016 0.000 0.342 370 F C 0.901 176.773 175.800 0.120 0.000 1.106 370 F CA -1.280 56.761 58.000 0.067 0.000 1.196 370 F CB 0.515 39.547 39.000 0.053 0.000 1.163 370 F HN 0.262 nan 8.300 nan 0.000 0.547 371 S N 0.537 116.363 115.700 0.210 0.000 2.546 371 S HA 0.749 5.208 4.470 -0.018 0.000 0.274 371 S C -0.776 173.864 174.600 0.066 0.000 1.121 371 S CA -0.766 57.535 58.200 0.169 0.000 0.887 371 S CB 2.133 65.417 63.200 0.140 0.000 1.094 371 S HN 0.658 nan 8.310 nan 0.000 0.474 372 T N 2.003 116.608 114.554 0.084 0.000 3.032 372 T HA 0.554 4.893 4.350 -0.018 0.000 0.312 372 T C -1.299 173.455 174.700 0.090 0.000 1.078 372 T CA -0.605 61.538 62.100 0.071 0.000 1.028 372 T CB 0.630 69.563 68.868 0.109 0.000 1.091 372 T HN 0.685 nan 8.240 nan 0.000 0.457 373 L N 3.109 124.384 121.223 0.085 0.000 2.343 373 L HA 0.784 5.113 4.340 -0.018 0.000 0.275 373 L C 0.395 177.354 176.870 0.148 0.000 1.056 373 L CA -0.616 54.299 54.840 0.124 0.000 0.804 373 L CB 2.016 44.152 42.059 0.127 0.000 1.203 373 L HN 0.619 nan 8.230 nan 0.000 0.440 374 T N 1.203 115.856 114.554 0.166 0.000 2.932 374 T HA 0.619 4.958 4.350 -0.018 0.000 0.318 374 T C -1.136 173.650 174.700 0.143 0.000 1.265 374 T CA -0.454 61.738 62.100 0.153 0.000 1.036 374 T CB 1.534 70.485 68.868 0.137 0.000 1.209 374 T HN 0.642 nan 8.240 nan 0.000 0.484 375 A N 4.411 127.302 122.820 0.119 0.000 2.362 375 A HA 0.722 5.032 4.320 -0.018 0.000 0.276 375 A C -0.163 177.335 177.584 -0.144 0.000 1.153 375 A CA -0.387 51.637 52.037 -0.022 0.000 0.813 375 A CB -0.061 18.980 19.000 0.068 0.000 1.081 375 A HN 0.790 nan 8.150 nan 0.000 0.507 376 L N 3.318 124.356 121.223 -0.308 0.000 2.379 376 L HA 0.322 4.651 4.340 -0.018 0.000 0.269 376 L C -1.492 175.271 176.870 -0.180 0.000 1.084 376 L CA -1.928 52.793 54.840 -0.198 0.000 0.802 376 L CB 1.225 43.173 42.059 -0.185 0.000 1.175 376 L HN 0.477 nan 8.230 nan 0.000 0.448 377 P HA -0.145 nan 4.420 nan 0.000 0.222 377 P C 0.481 177.731 177.300 -0.082 0.000 1.147 377 P CA 0.864 63.916 63.100 -0.080 0.000 0.790 377 P CB 0.016 31.678 31.700 -0.064 0.000 0.780 378 D N -1.625 118.710 120.400 -0.108 0.000 2.336 378 D HA 0.080 4.709 4.640 -0.018 0.000 0.229 378 D C 1.338 177.575 176.300 -0.105 0.000 1.061 378 D CA 0.426 54.373 54.000 -0.090 0.000 0.875 378 D CB -1.020 39.732 40.800 -0.081 0.000 0.904 378 D HN 0.177 nan 8.370 nan 0.000 0.525 379 G N -0.011 108.691 108.800 -0.163 0.000 2.143 379 G HA2 -0.267 3.683 3.960 -0.018 0.000 0.249 379 G HA3 -0.267 3.683 3.960 -0.018 0.000 0.249 379 G C 0.461 175.125 174.900 -0.394 0.000 0.981 379 G CA 0.768 45.755 45.100 -0.188 0.000 0.665 379 G HN 0.828 nan 8.290 nan 0.000 0.528 380 T N -2.497 111.747 114.554 -0.515 0.000 2.870 380 T HA 0.766 5.105 4.350 -0.018 0.000 0.277 380 T C -0.376 173.621 174.700 -1.172 0.000 1.000 380 T CA -0.912 60.802 62.100 -0.643 0.000 0.982 380 T CB 1.974 70.672 68.868 -0.282 0.000 1.249 380 T HN 0.464 nan 8.240 nan 0.000 0.589 381 Y N -1.046 118.941 120.300 -0.522 0.000 2.409 381 Y HA 0.653 5.192 4.550 -0.018 0.000 0.343 381 Y C 0.740 176.361 175.900 -0.464 0.000 0.973 381 Y CA -0.927 56.819 58.100 -0.590 0.000 1.064 381 Y CB 2.162 40.020 38.460 -1.005 0.000 1.207 381 Y HN 1.103 nan 8.280 nan 0.000 0.452 382 G N 1.901 110.663 108.800 -0.064 0.000 2.410 382 G HA2 0.579 4.528 3.960 -0.018 0.000 0.330 382 G HA3 0.579 4.528 3.960 -0.018 0.000 0.330 382 G C -1.945 172.980 174.900 0.041 0.000 1.142 382 G CA -0.574 44.555 45.100 0.049 0.000 0.902 382 G HN 0.485 nan 8.290 nan 0.000 0.491 383 L N 1.863 123.029 121.223 -0.095 0.000 2.491 383 L HA 0.580 4.910 4.340 -0.018 0.000 0.267 383 L C -1.500 175.371 176.870 0.001 0.000 0.971 383 L CA -0.863 53.957 54.840 -0.032 0.000 0.857 383 L CB 1.721 43.713 42.059 -0.112 0.000 1.226 383 L HN 0.392 nan 8.230 nan 0.000 0.408 384 L N 6.679 127.978 121.223 0.127 0.000 2.272 384 L HA 0.678 5.007 4.340 -0.018 0.000 0.289 384 L C -0.984 176.000 176.870 0.191 0.000 1.032 384 L CA -0.143 54.782 54.840 0.141 0.000 0.810 384 L CB 0.960 43.122 42.059 0.171 0.000 1.205 384 L HN 0.680 nan 8.230 nan 0.000 0.422 385 Y N 1.537 121.839 120.300 0.003 0.000 2.644 385 Y HA 0.655 5.195 4.550 -0.017 0.000 0.338 385 Y C -1.197 174.731 175.900 0.047 0.000 1.119 385 Y CA -1.222 56.916 58.100 0.065 0.000 1.060 385 Y CB 1.191 39.726 38.460 0.124 0.000 1.294 385 Y HN 0.561 nan 8.280 nan 0.000 0.472 386 E N 3.611 123.972 120.200 0.269 0.000 2.055 386 E HA 0.236 4.576 4.350 -0.018 0.000 0.274 386 E C -2.252 174.455 176.600 0.177 0.000 0.949 386 E CA -2.049 54.407 56.400 0.093 0.000 0.775 386 E CB 1.579 31.324 29.700 0.075 0.000 1.097 386 E HN 0.508 nan 8.360 nan 0.000 0.404 387 P HA 0.086 nan 4.420 nan 0.000 0.261 387 P C 0.775 178.103 177.300 0.046 0.000 1.268 387 P CA 0.473 63.641 63.100 0.114 0.000 0.833 387 P CB 0.826 32.529 31.700 0.005 0.000 1.231 388 G N -0.135 108.668 108.800 0.004 0.000 2.253 388 G HA2 -0.206 3.743 3.960 -0.018 0.000 0.209 388 G HA3 -0.206 3.743 3.960 -0.018 0.000 0.209 388 G C 0.776 175.664 174.900 -0.020 0.000 0.997 388 G CA 0.451 45.547 45.100 -0.006 0.000 0.640 388 G HN 0.425 nan 8.290 nan 0.000 0.496 389 T N -1.510 113.023 114.554 -0.034 0.000 3.129 389 T HA 0.610 4.949 4.350 -0.018 0.000 0.267 389 T C 1.490 176.171 174.700 -0.033 0.000 1.018 389 T CA 1.338 63.421 62.100 -0.028 0.000 0.903 389 T CB 1.126 69.972 68.868 -0.036 0.000 1.067 389 T HN 2.213 nan 8.240 nan 0.000 0.549 390 G N 1.558 110.324 108.800 -0.056 0.000 2.181 390 G HA2 0.173 4.122 3.960 -0.018 0.000 0.098 390 G HA3 0.173 4.122 3.960 -0.018 0.000 0.098 390 G C -1.863 172.914 174.900 -0.205 0.000 1.237 390 G CA -0.571 44.481 45.100 -0.079 0.000 1.238 390 G HN 0.313 nan 8.290 nan 0.000 0.468 391 I N 1.277 121.626 120.570 -0.369 0.000 2.498 391 I HA 0.624 4.783 4.170 -0.018 0.000 0.290 391 I C 0.093 175.928 176.117 -0.470 0.000 1.032 391 I CA -0.510 60.523 61.300 -0.445 0.000 1.073 391 I CB 1.682 39.251 38.000 -0.719 0.000 1.251 391 I HN 0.727 nan 8.210 nan 0.000 0.426 392 R N 5.049 125.255 120.500 -0.490 0.000 2.599 392 R HA 0.417 4.746 4.340 -0.018 0.000 0.295 392 R C -1.847 174.223 176.300 -0.384 0.000 0.963 392 R CA -0.611 55.180 56.100 -0.514 0.000 0.883 392 R CB 2.084 31.937 30.300 -0.746 0.000 1.171 392 R HN 0.518 nan 8.270 nan 0.000 0.450 393 Y N 3.212 123.285 120.300 -0.378 0.000 2.353 393 Y HA 0.609 5.148 4.550 -0.018 0.000 0.340 393 Y C -1.189 174.629 175.900 -0.137 0.000 0.972 393 Y CA -0.536 57.410 58.100 -0.257 0.000 1.157 393 Y CB 1.358 39.591 38.460 -0.379 0.000 1.157 393 Y HN 0.738 nan 8.280 nan 0.000 0.495 394 A N 5.209 127.510 122.820 -0.865 0.000 2.337 394 A HA 0.635 4.945 4.320 -0.018 0.000 0.331 394 A C -1.308 175.663 177.584 -1.022 0.000 1.137 394 A CA -0.845 50.711 52.037 -0.801 0.000 0.807 394 A CB 1.041 19.764 19.000 -0.461 0.000 1.250 394 A HN 0.773 nan 8.150 nan 0.000 0.468 395 N N 0.116 118.362 118.700 -0.756 0.000 2.352 395 N HA 0.706 5.435 4.740 -0.018 0.000 0.291 395 N C -1.228 174.071 175.510 -0.351 0.000 1.040 395 N CA -0.553 52.223 53.050 -0.455 0.000 0.864 395 N CB 1.114 39.476 38.487 -0.208 0.000 1.440 395 N HN 0.590 nan 8.380 nan 0.000 0.483 396 F N 0.946 120.735 119.950 -0.269 0.000 2.629 396 F HA 0.704 5.220 4.527 -0.018 0.000 0.316 396 F C -0.779 175.097 175.800 0.126 0.000 1.081 396 F CA -1.096 56.813 58.000 -0.151 0.000 0.954 396 F CB 1.012 39.850 39.000 -0.271 0.000 1.337 396 F HN 0.422 nan 8.300 nan 0.000 0.474 397 N N 1.053 119.976 118.700 0.373 0.000 2.531 397 N HA 0.398 5.127 4.740 -0.018 0.000 0.290 397 N C 0.103 175.960 175.510 0.578 0.000 1.257 397 N CA -1.038 52.226 53.050 0.357 0.000 0.863 397 N CB 0.962 39.587 38.487 0.231 0.000 1.320 397 N HN 0.827 nan 8.380 nan 0.000 0.538 398 L N -0.660 120.834 121.223 0.452 0.000 2.131 398 L HA -0.081 4.249 4.340 -0.018 0.000 0.210 398 L C 2.242 179.313 176.870 0.335 0.000 1.092 398 L CA 1.641 56.716 54.840 0.393 0.000 0.759 398 L CB -0.734 41.510 42.059 0.308 0.000 0.903 398 L HN 0.771 nan 8.230 nan 0.000 0.435 399 A N -0.415 122.592 122.820 0.311 0.000 1.969 399 A HA -0.252 4.057 4.320 -0.018 0.000 0.218 399 A C 2.011 179.756 177.584 0.268 0.000 1.169 399 A CA 1.290 53.472 52.037 0.242 0.000 0.635 399 A CB -0.861 18.264 19.000 0.207 0.000 0.810 399 A HN 0.659 nan 8.150 nan 0.000 0.445 400 W N 0.141 121.562 121.300 0.201 0.000 2.388 400 W HA -0.107 4.543 4.660 -0.017 0.000 0.294 400 W C 1.494 178.091 176.519 0.130 0.000 1.212 400 W CA 1.426 58.880 57.345 0.183 0.000 1.271 400 W CB -0.300 29.326 29.460 0.276 0.000 1.126 400 W HN 0.247 nan 8.180 nan 0.000 0.535 401 L N 1.855 123.146 121.223 0.113 0.000 2.079 401 L HA 0.044 4.374 4.340 -0.018 0.000 0.210 401 L C 2.149 178.891 176.870 -0.215 0.000 1.081 401 L CA 2.536 57.271 54.840 -0.176 0.000 0.752 401 L CB -1.280 40.881 42.059 0.171 0.000 0.896 401 L HN 0.385 nan 8.230 nan 0.000 0.433 402 G N -1.660 107.099 108.800 -0.069 0.000 2.198 402 G HA2 -0.188 3.761 3.960 -0.018 0.000 0.257 402 G HA3 -0.188 3.761 3.960 -0.018 0.000 0.257 402 G C 0.572 175.455 174.900 -0.028 0.000 1.042 402 G CA 0.246 45.309 45.100 -0.063 0.000 0.791 402 G HN 0.843 nan 8.290 nan 0.000 0.502 403 G N -1.143 107.665 108.800 0.014 0.000 2.491 403 G HA2 0.739 4.688 3.960 -0.018 0.000 0.327 403 G HA3 0.739 4.688 3.960 -0.018 0.000 0.327 403 G C -0.411 174.520 174.900 0.053 0.000 1.189 403 G CA -0.565 44.555 45.100 0.033 0.000 0.956 403 G HN 0.994 nan 8.290 nan 0.000 0.491 404 I N -0.565 120.039 120.570 0.057 0.000 2.509 404 I HA 0.312 4.471 4.170 -0.018 0.000 0.293 404 I C -0.303 175.856 176.117 0.071 0.000 1.020 404 I CA -0.954 60.381 61.300 0.059 0.000 1.088 404 I CB 1.697 39.722 38.000 0.042 0.000 1.267 404 I HN 0.401 nan 8.210 nan 0.000 0.430 405 c N 7.372 126.011 118.600 0.065 0.000 3.183 405 c HA 0.464 5.023 4.570 -0.018 0.000 0.545 405 c C 0.891 175.016 174.090 0.058 0.000 1.044 405 c CA -0.241 56.123 56.329 0.059 0.000 1.117 405 c CB -2.247 40.292 42.510 0.049 0.000 1.393 405 c HN 0.641 nan 8.230 nan 0.000 0.611 406 A N 3.476 126.347 122.820 0.085 0.000 3.159 406 A HA 0.506 4.815 4.320 -0.018 0.000 0.330 406 A C -2.446 175.256 177.584 0.197 0.000 1.032 406 A CA -0.913 51.184 52.037 0.100 0.000 0.841 406 A CB 0.225 19.265 19.000 0.065 0.000 1.093 406 A HN 0.476 nan 8.150 nan 0.000 0.478 407 P HA 0.400 nan 4.420 nan 0.000 0.269 407 P C -0.666 176.781 177.300 0.245 0.000 1.209 407 P CA 0.423 63.611 63.100 0.146 0.000 0.776 407 P CB 0.321 32.040 31.700 0.032 0.000 0.876 408 F N -1.279 118.679 119.950 0.013 0.000 2.645 408 F HA 0.764 5.280 4.527 -0.018 0.000 0.310 408 F C -0.840 174.966 175.800 0.010 0.000 1.102 408 F CA -1.013 56.989 58.000 0.005 0.000 0.952 408 F CB 1.513 40.515 39.000 0.003 0.000 1.326 408 F HN 0.328 nan 8.300 nan 0.000 0.456 409 T N 0.175 114.769 114.554 0.066 0.000 2.893 409 T HA 0.814 5.154 4.350 -0.018 0.000 0.291 409 T C -0.989 173.716 174.700 0.007 0.000 1.028 409 T CA -0.650 61.426 62.100 -0.039 0.000 0.995 409 T CB 1.870 70.727 68.868 -0.020 0.000 1.051 409 T HN 0.747 nan 8.240 nan 0.000 0.470 410 I N 3.026 123.553 120.570 -0.072 0.000 2.499 410 I HA 0.402 4.561 4.170 -0.018 0.000 0.288 410 I C -2.319 173.691 176.117 -0.178 0.000 1.048 410 I CA -2.710 58.463 61.300 -0.211 0.000 1.062 410 I CB 2.652 40.335 38.000 -0.528 0.000 1.238 410 I HN 0.481 nan 8.210 nan 0.000 0.426 411 P HA 0.082 nan 4.420 nan 0.000 0.269 411 P C -0.998 176.331 177.300 0.049 0.000 1.209 411 P CA -0.227 62.849 63.100 -0.039 0.000 0.776 411 P CB 0.530 32.209 31.700 -0.035 0.000 0.876 412 D N 0.489 120.975 120.400 0.144 0.000 2.443 412 D HA 0.162 4.792 4.640 -0.018 0.000 0.239 412 D C 0.307 176.710 176.300 0.173 0.000 1.136 412 D CA 0.275 54.414 54.000 0.231 0.000 0.879 412 D CB 0.508 41.401 40.800 0.155 0.000 1.195 412 D HN 0.179 nan 8.370 nan 0.000 0.443 413 V N -1.764 118.284 119.914 0.223 0.000 2.823 413 V HA 0.866 4.975 4.120 -0.018 0.000 0.312 413 V C -0.708 175.461 176.094 0.125 0.000 1.072 413 V CA -1.095 61.290 62.300 0.142 0.000 0.937 413 V CB 1.819 33.721 31.823 0.131 0.000 1.013 413 V HN 0.589 nan 8.190 nan 0.000 0.430 414 A N 4.883 127.750 122.820 0.078 0.000 2.318 414 A HA 0.980 5.289 4.320 -0.018 0.000 0.324 414 A C -0.747 176.854 177.584 0.030 0.000 1.170 414 A CA -0.527 51.545 52.037 0.059 0.000 0.810 414 A CB 1.026 20.054 19.000 0.046 0.000 1.198 414 A HN 1.848 nan 8.150 nan 0.000 0.484 415 L N -0.621 120.607 121.223 0.009 0.000 2.503 415 L HA 0.810 5.139 4.340 -0.018 0.000 0.248 415 L C -0.560 176.286 176.870 -0.040 0.000 1.126 415 L CA -1.097 53.727 54.840 -0.027 0.000 0.929 415 L CB 0.321 42.343 42.059 -0.061 0.000 1.544 415 L HN 0.520 nan 8.230 nan 0.000 0.404 416 E N -0.219 119.948 120.200 -0.056 0.000 2.212 416 E HA 0.556 4.895 4.350 -0.018 0.000 0.270 416 E C -2.619 173.922 176.600 -0.098 0.000 0.956 416 E CA -2.097 54.270 56.400 -0.054 0.000 0.825 416 E CB 0.962 30.644 29.700 -0.030 0.000 1.167 416 E HN 0.426 nan 8.360 nan 0.000 0.400 417 P HA 0.026 nan 4.420 nan 0.000 0.264 417 P C 0.786 178.021 177.300 -0.110 0.000 1.183 417 P CA 1.214 64.242 63.100 -0.119 0.000 0.763 417 P CB 0.361 32.021 31.700 -0.066 0.000 0.807 418 G N 1.391 110.107 108.800 -0.140 0.000 2.284 418 G HA2 -0.229 3.720 3.960 -0.018 0.000 0.230 418 G HA3 -0.229 3.720 3.960 -0.018 0.000 0.230 418 G C 0.205 175.037 174.900 -0.113 0.000 1.021 418 G CA -0.315 44.721 45.100 -0.107 0.000 0.619 418 G HN 0.566 nan 8.290 nan 0.000 0.510 419 Q N 0.374 120.096 119.800 -0.129 0.000 2.260 419 Q HA 0.613 4.942 4.340 -0.018 0.000 0.238 419 Q C 0.051 175.973 176.000 -0.129 0.000 0.948 419 Q CA -0.190 55.548 55.803 -0.109 0.000 0.895 419 Q CB 1.062 29.747 28.738 -0.088 0.000 1.218 419 Q HN 0.472 nan 8.270 nan 0.000 0.470 420 Q N 1.065 120.812 119.800 -0.088 0.000 2.342 420 Q HA 0.678 5.007 4.340 -0.018 0.000 0.267 420 Q C -1.892 174.078 176.000 -0.050 0.000 1.038 420 Q CA -0.613 55.144 55.803 -0.076 0.000 0.832 420 Q CB 2.089 30.795 28.738 -0.054 0.000 1.323 420 Q HN 0.462 nan 8.270 nan 0.000 0.448 421 V N 2.113 122.005 119.914 -0.037 0.000 2.971 421 V HA 0.578 4.687 4.120 -0.018 0.000 0.309 421 V C -1.420 174.672 176.094 -0.004 0.000 1.130 421 V CA -0.268 62.022 62.300 -0.017 0.000 0.964 421 V CB 2.836 34.653 31.823 -0.009 0.000 1.029 421 V HN 0.905 nan 8.190 nan 0.000 0.427 422 T N 5.021 119.571 114.554 -0.007 0.000 2.791 422 T HA 0.557 4.897 4.350 -0.018 0.000 0.288 422 T C -0.519 174.168 174.700 -0.022 0.000 0.999 422 T CA -0.263 61.831 62.100 -0.009 0.000 0.952 422 T CB 1.178 70.040 68.868 -0.010 0.000 0.938 422 T HN 0.939 nan 8.240 nan 0.000 0.444 423 V N 2.467 122.356 119.914 -0.041 0.000 2.713 423 V HA 0.844 4.953 4.120 -0.018 0.000 0.307 423 V C -2.706 173.339 176.094 -0.082 0.000 1.052 423 V CA -2.922 59.332 62.300 -0.077 0.000 0.967 423 V CB 1.241 32.977 31.823 -0.145 0.000 1.019 423 V HN 0.517 nan 8.190 nan 0.000 0.459 424 P HA 0.448 nan 4.420 nan 0.000 0.288 424 P C -0.848 176.415 177.300 -0.061 0.000 1.267 424 P CA -0.403 62.664 63.100 -0.055 0.000 0.815 424 P CB 1.585 33.263 31.700 -0.036 0.000 0.989 425 V N 2.067 121.961 119.914 -0.033 0.000 2.435 425 V HA 0.639 4.749 4.120 -0.018 0.000 0.290 425 V C 0.378 176.488 176.094 0.026 0.000 1.030 425 V CA -0.778 61.528 62.300 0.011 0.000 0.881 425 V CB 1.202 33.033 31.823 0.013 0.000 0.983 425 V HN 0.716 nan 8.190 nan 0.000 0.445 426 A N 4.821 127.678 122.820 0.062 0.000 2.267 426 A HA 0.771 5.080 4.320 -0.018 0.000 0.315 426 A C -0.642 177.009 177.584 0.112 0.000 1.297 426 A CA -0.475 51.596 52.037 0.056 0.000 0.865 426 A CB 1.001 20.022 19.000 0.035 0.000 1.165 426 A HN 0.651 nan 8.150 nan 0.000 0.513 427 V N 2.577 122.536 119.914 0.075 0.000 2.439 427 V HA 0.413 4.523 4.120 -0.018 0.000 0.282 427 V C 0.331 176.463 176.094 0.064 0.000 1.039 427 V CA -0.191 62.166 62.300 0.095 0.000 0.913 427 V CB 1.589 33.414 31.823 0.002 0.000 0.983 427 V HN 0.848 nan 8.190 nan 0.000 0.460 428 T N 4.201 118.803 114.554 0.081 0.000 2.801 428 T HA 0.213 4.553 4.350 -0.018 0.000 0.306 428 T C 0.075 174.800 174.700 0.041 0.000 1.020 428 T CA -0.306 61.821 62.100 0.045 0.000 0.948 428 T CB 0.154 69.043 68.868 0.034 0.000 0.962 428 T HN 0.617 nan 8.240 nan 0.000 0.465 429 N N 3.000 121.714 118.700 0.024 0.000 2.415 429 N HA 0.112 4.841 4.740 -0.018 0.000 0.246 429 N C 0.649 176.168 175.510 0.016 0.000 1.078 429 N CA -0.144 52.917 53.050 0.020 0.000 0.942 429 N CB 0.751 39.243 38.487 0.008 0.000 1.140 429 N HN 0.536 nan 8.380 nan 0.000 0.501 430 Q N 0.942 120.755 119.800 0.021 0.000 2.219 430 Q HA 0.071 4.401 4.340 -0.018 0.000 0.209 430 Q C 1.142 177.154 176.000 0.020 0.000 0.854 430 Q CA -0.062 55.750 55.803 0.015 0.000 0.960 430 Q CB 0.405 29.149 28.738 0.010 0.000 1.116 430 Q HN 0.750 nan 8.270 nan 0.000 0.500 431 S N -0.913 114.800 115.700 0.023 0.000 2.461 431 S HA 0.075 4.534 4.470 -0.018 0.000 0.228 431 S C 1.664 176.276 174.600 0.020 0.000 1.005 431 S CA 0.627 58.844 58.200 0.028 0.000 0.942 431 S CB 0.055 63.272 63.200 0.028 0.000 0.776 431 S HN 0.480 nan 8.310 nan 0.000 0.514 432 G N 1.343 110.151 108.800 0.013 0.000 2.159 432 G HA2 -0.242 3.708 3.960 -0.018 0.000 0.256 432 G HA3 -0.242 3.708 3.960 -0.018 0.000 0.256 432 G C 0.021 174.925 174.900 0.007 0.000 0.977 432 G CA 0.409 45.514 45.100 0.008 0.000 0.652 432 G HN 1.126 nan 8.290 nan 0.000 0.531 433 I N -2.811 117.764 120.570 0.009 0.000 3.108 433 I HA 0.935 5.094 4.170 -0.018 0.000 0.312 433 I C 0.262 176.381 176.117 0.004 0.000 1.095 433 I CA -1.201 60.103 61.300 0.007 0.000 1.000 433 I CB 1.945 39.951 38.000 0.011 0.000 1.229 433 I HN 0.456 nan 8.210 nan 0.000 0.454 434 A N 2.611 125.432 122.820 0.002 0.000 2.286 434 A HA 0.738 5.047 4.320 -0.018 0.000 0.286 434 A C -0.434 177.148 177.584 -0.003 0.000 1.097 434 A CA -0.503 51.533 52.037 -0.002 0.000 0.821 434 A CB 1.043 20.041 19.000 -0.003 0.000 1.076 434 A HN 0.637 nan 8.150 nan 0.000 0.490 435 V N 3.342 123.250 119.914 -0.009 0.000 2.443 435 V HA 0.220 4.330 4.120 -0.018 0.000 0.272 435 V C -1.996 174.089 176.094 -0.015 0.000 1.002 435 V CA -0.678 61.614 62.300 -0.012 0.000 0.840 435 V CB 1.314 33.127 31.823 -0.017 0.000 1.042 435 V HN 0.794 nan 8.190 nan 0.000 0.446 436 P HA -0.093 nan 4.420 nan 0.000 0.216 436 P C 0.542 177.833 177.300 -0.016 0.000 1.150 436 P CA 1.262 64.354 63.100 -0.012 0.000 0.837 436 P CB 0.260 31.956 31.700 -0.008 0.000 0.786 437 K N -0.734 119.655 120.400 -0.017 0.000 2.954 437 K HA 0.255 4.565 4.320 -0.018 0.000 0.171 437 K C -2.548 174.036 176.600 -0.027 0.000 1.079 437 K CA -1.249 55.026 56.287 -0.020 0.000 0.908 437 K CB 1.323 33.814 32.500 -0.014 0.000 1.142 437 K HN 0.137 nan 8.250 nan 0.000 0.613 438 P HA 0.213 nan 4.420 nan 0.000 0.278 438 P C -0.454 176.812 177.300 -0.056 0.000 1.258 438 P CA -0.277 62.791 63.100 -0.053 0.000 0.811 438 P CB 1.279 32.935 31.700 -0.073 0.000 1.063 439 S N 0.127 115.789 115.700 -0.064 0.000 2.595 439 S HA 0.646 5.105 4.470 -0.018 0.000 0.281 439 S C -1.247 173.307 174.600 -0.078 0.000 1.117 439 S CA -0.781 57.384 58.200 -0.057 0.000 0.873 439 S CB 1.344 64.524 63.200 -0.033 0.000 1.108 439 S HN 0.320 nan 8.310 nan 0.000 0.477 440 L N 1.901 123.087 121.223 -0.062 0.000 2.343 440 L HA 0.552 4.882 4.340 -0.018 0.000 0.278 440 L C -0.512 176.360 176.870 0.003 0.000 0.996 440 L CA -0.184 54.621 54.840 -0.057 0.000 0.831 440 L CB 1.501 43.514 42.059 -0.076 0.000 1.232 440 L HN 0.969 nan 8.230 nan 0.000 0.413 441 Q N 4.426 124.242 119.800 0.026 0.000 2.293 441 Q HA 0.676 5.005 4.340 -0.018 0.000 0.261 441 Q C -1.810 174.242 176.000 0.086 0.000 0.960 441 Q CA -0.686 55.145 55.803 0.046 0.000 0.882 441 Q CB 1.542 30.298 28.738 0.030 0.000 1.275 441 Q HN 0.704 nan 8.270 nan 0.000 0.445 442 L N 3.072 124.349 121.223 0.091 0.000 2.346 442 L HA 0.470 4.799 4.340 -0.018 0.000 0.274 442 L C -0.965 175.943 176.870 0.063 0.000 1.007 442 L CA -0.655 54.258 54.840 0.122 0.000 0.818 442 L CB 1.993 44.158 42.059 0.177 0.000 1.284 442 L HN 0.585 nan 8.230 nan 0.000 0.424 443 D N 2.939 123.358 120.400 0.031 0.000 2.461 443 D HA 0.666 5.296 4.640 -0.018 0.000 0.240 443 D C -0.471 175.772 176.300 -0.095 0.000 1.094 443 D CA 0.070 54.053 54.000 -0.029 0.000 0.868 443 D CB 1.932 42.709 40.800 -0.037 0.000 1.062 443 D HN 0.608 nan 8.370 nan 0.000 0.530 444 A N 1.205 123.950 122.820 -0.127 0.000 2.504 444 A HA 0.706 5.015 4.320 -0.018 0.000 0.285 444 A C -0.038 177.333 177.584 -0.355 0.000 1.261 444 A CA -0.650 51.217 52.037 -0.282 0.000 0.741 444 A CB 0.899 19.775 19.000 -0.206 0.000 1.327 444 A HN 0.260 nan 8.150 nan 0.000 0.441 445 S N 1.926 117.204 115.700 -0.703 0.000 2.563 445 S HA 0.197 4.656 4.470 -0.018 0.000 0.284 445 S C -1.430 173.010 174.600 -0.268 0.000 1.331 445 S CA -0.007 57.839 58.200 -0.591 0.000 1.047 445 S CB 0.367 62.942 63.200 -1.042 0.000 0.859 445 S HN 0.576 nan 8.310 nan 0.000 0.514 446 P HA -0.097 nan 4.420 nan 0.000 0.220 446 P C 0.297 177.615 177.300 0.031 0.000 1.148 446 P CA 1.085 64.163 63.100 -0.036 0.000 0.803 446 P CB 0.140 31.824 31.700 -0.026 0.000 0.782 447 D N -2.025 118.423 120.400 0.079 0.000 2.354 447 D HA -0.016 4.613 4.640 -0.018 0.000 0.209 447 D C 0.414 176.874 176.300 0.268 0.000 1.015 447 D CA 0.338 54.431 54.000 0.156 0.000 0.867 447 D CB -0.183 40.718 40.800 0.167 0.000 0.933 447 D HN 0.178 nan 8.370 nan 0.000 0.520 448 W N 1.828 123.098 121.300 -0.050 0.000 2.261 448 W HA 0.353 5.003 4.660 -0.017 0.000 0.323 448 W C 0.590 177.093 176.519 -0.027 0.000 1.243 448 W CA -0.828 56.484 57.345 -0.054 0.000 1.210 448 W CB 0.119 29.530 29.460 -0.081 0.000 1.149 448 W HN -0.249 nan 8.180 nan 0.000 0.562 449 Q N 1.613 121.517 119.800 0.172 0.000 2.406 449 Q HA 0.397 4.727 4.340 -0.018 0.000 0.242 449 Q C -0.836 175.243 176.000 0.131 0.000 1.036 449 Q CA -0.071 55.800 55.803 0.113 0.000 0.904 449 Q CB 0.692 29.463 28.738 0.055 0.000 1.244 449 Q HN 0.222 nan 8.270 nan 0.000 0.478 450 V N 4.761 124.763 119.914 0.147 0.000 2.376 450 V HA 0.399 4.508 4.120 -0.018 0.000 0.287 450 V C -0.394 175.769 176.094 0.114 0.000 1.015 450 V CA -0.832 61.563 62.300 0.160 0.000 0.834 450 V CB 1.135 33.088 31.823 0.217 0.000 1.001 450 V HN 0.683 nan 8.190 nan 0.000 0.428 451 Q N 3.355 123.212 119.800 0.094 0.000 2.413 451 Q HA 0.913 5.242 4.340 -0.018 0.000 0.276 451 Q C -0.415 175.622 176.000 0.061 0.000 1.099 451 Q CA -0.914 54.929 55.803 0.066 0.000 0.814 451 Q CB 3.333 32.097 28.738 0.044 0.000 1.379 451 Q HN 0.727 nan 8.270 nan 0.000 0.436 452 G N 0.255 109.080 108.800 0.043 0.000 2.692 452 G HA2 0.638 4.587 3.960 -0.018 0.000 0.291 452 G HA3 0.638 4.587 3.960 -0.018 0.000 0.291 452 G C -1.315 173.585 174.900 -0.001 0.000 1.423 452 G CA -0.305 44.810 45.100 0.026 0.000 0.843 452 G HN 0.896 nan 8.290 nan 0.000 0.486 453 S N -2.044 113.645 115.700 -0.018 0.000 2.625 453 S HA 0.852 5.312 4.470 -0.018 0.000 0.271 453 S C -1.588 172.979 174.600 -0.055 0.000 1.161 453 S CA -0.776 57.403 58.200 -0.035 0.000 0.820 453 S CB 1.882 65.067 63.200 -0.024 0.000 1.137 453 S HN 1.961 nan 8.310 nan 0.000 0.470 454 V N 0.381 120.257 119.914 -0.065 0.000 3.000 454 V HA 0.492 4.602 4.120 -0.018 0.000 0.300 454 V C -1.331 174.725 176.094 -0.062 0.000 1.251 454 V CA -0.556 61.696 62.300 -0.080 0.000 0.972 454 V CB 1.958 33.699 31.823 -0.137 0.000 1.065 454 V HN 1.076 nan 8.190 nan 0.000 0.431 455 E N 5.618 125.788 120.200 -0.051 0.000 2.371 455 E HA 0.362 4.701 4.350 -0.018 0.000 0.257 455 E C -2.477 174.099 176.600 -0.040 0.000 1.134 455 E CA -1.644 54.733 56.400 -0.038 0.000 0.919 455 E CB 0.568 30.251 29.700 -0.029 0.000 1.025 455 E HN 0.530 nan 8.360 nan 0.000 0.438 456 P HA -0.090 nan 4.420 nan 0.000 0.263 456 P C -0.691 176.592 177.300 -0.027 0.000 1.175 456 P CA 0.684 63.767 63.100 -0.028 0.000 0.761 456 P CB 0.298 31.987 31.700 -0.020 0.000 0.794 457 L N 3.633 124.840 121.223 -0.028 0.000 2.395 457 L HA 0.394 4.724 4.340 -0.018 0.000 0.269 457 L C 0.739 177.601 176.870 -0.014 0.000 1.133 457 L CA -0.026 54.801 54.840 -0.022 0.000 0.812 457 L CB 0.155 42.200 42.059 -0.024 0.000 1.125 457 L HN 0.309 nan 8.230 nan 0.000 0.452 458 M N 2.787 122.381 119.600 -0.010 0.000 2.518 458 M HA 0.423 4.892 4.480 -0.018 0.000 0.300 458 M C -2.524 173.774 176.300 -0.003 0.000 1.175 458 M CA -1.836 53.460 55.300 -0.006 0.000 0.890 458 M CB 2.773 35.369 32.600 -0.007 0.000 1.710 458 M HN 0.216 nan 8.290 nan 0.000 0.453 459 P HA 0.137 nan 4.420 nan 0.000 0.268 459 P C 0.621 177.920 177.300 -0.001 0.000 1.204 459 P CA 0.727 63.827 63.100 -0.000 0.000 0.768 459 P CB 0.451 32.150 31.700 -0.000 0.000 0.842 460 G N 2.069 110.869 108.800 0.000 0.000 2.155 460 G HA2 -0.265 3.685 3.960 -0.018 0.000 0.257 460 G HA3 -0.265 3.685 3.960 -0.018 0.000 0.257 460 G C 0.066 174.965 174.900 -0.001 0.000 0.983 460 G CA -0.217 44.882 45.100 -0.001 0.000 0.676 460 G HN 0.598 nan 8.290 nan 0.000 0.528 461 R N -0.316 120.183 120.500 -0.001 0.000 2.744 461 R HA 0.402 4.732 4.340 -0.018 0.000 0.279 461 R C -0.146 176.155 176.300 0.001 0.000 0.977 461 R CA -1.005 55.094 56.100 -0.001 0.000 0.906 461 R CB 1.097 31.395 30.300 -0.004 0.000 1.197 461 R HN 0.216 nan 8.270 nan 0.000 0.463 462 Q N 0.818 120.618 119.800 0.002 0.000 2.395 462 Q HA 0.283 4.612 4.340 -0.018 0.000 0.271 462 Q C -0.414 175.584 176.000 -0.002 0.000 1.026 462 Q CA 0.247 56.052 55.803 0.004 0.000 0.900 462 Q CB 1.223 29.964 28.738 0.004 0.000 1.266 462 Q HN 0.614 nan 8.270 nan 0.000 0.430 463 A N 2.408 125.225 122.820 -0.004 0.000 2.365 463 A HA 0.533 4.842 4.320 -0.018 0.000 0.318 463 A C -0.386 177.190 177.584 -0.014 0.000 1.091 463 A CA -0.882 51.146 52.037 -0.015 0.000 0.763 463 A CB 1.093 20.076 19.000 -0.028 0.000 1.248 463 A HN 0.685 nan 8.150 nan 0.000 0.442 464 K N 1.266 121.655 120.400 -0.018 0.000 2.087 464 K HA 0.787 5.096 4.320 -0.018 0.000 0.255 464 K C 0.124 176.705 176.600 -0.031 0.000 0.988 464 K CA -0.172 56.104 56.287 -0.018 0.000 0.915 464 K CB 1.678 34.169 32.500 -0.015 0.000 1.043 464 K HN 0.867 nan 8.250 nan 0.000 0.457 465 G N 0.232 109.013 108.800 -0.032 0.000 2.749 465 G HA2 0.425 4.374 3.960 -0.018 0.000 0.300 465 G HA3 0.425 4.374 3.960 -0.018 0.000 0.300 465 G C -1.888 172.991 174.900 -0.034 0.000 1.352 465 G CA -0.803 44.272 45.100 -0.041 0.000 0.789 465 G HN 0.800 nan 8.290 nan 0.000 0.509 466 Q N -1.602 118.178 119.800 -0.034 0.000 2.482 466 Q HA 0.708 5.038 4.340 -0.018 0.000 0.286 466 Q C -2.154 173.831 176.000 -0.024 0.000 1.007 466 Q CA -0.925 54.858 55.803 -0.032 0.000 0.801 466 Q CB 2.399 31.123 28.738 -0.024 0.000 1.455 466 Q HN 0.570 nan 8.270 nan 0.000 0.398 467 V N 1.097 120.994 119.914 -0.027 0.000 2.709 467 V HA 0.565 4.674 4.120 -0.018 0.000 0.308 467 V C -0.856 175.251 176.094 0.022 0.000 1.062 467 V CA -0.455 61.849 62.300 0.006 0.000 0.901 467 V CB 2.283 34.097 31.823 -0.016 0.000 1.003 467 V HN 0.930 nan 8.190 nan 0.000 0.425 468 T N 5.891 120.475 114.554 0.050 0.000 2.786 468 T HA 0.703 5.042 4.350 -0.018 0.000 0.283 468 T C -0.514 174.233 174.700 0.077 0.000 0.992 468 T CA -0.107 62.021 62.100 0.046 0.000 0.954 468 T CB 0.869 69.753 68.868 0.027 0.000 0.934 468 T HN 0.387 nan 8.240 nan 0.000 0.440 469 I N 2.683 123.293 120.570 0.067 0.000 2.418 469 I HA 0.358 4.517 4.170 -0.018 0.000 0.287 469 I C 0.146 176.237 176.117 -0.044 0.000 1.008 469 I CA -0.496 60.850 61.300 0.077 0.000 1.104 469 I CB 2.008 40.092 38.000 0.140 0.000 1.264 469 I HN 0.462 nan 8.210 nan 0.000 0.438 470 T N 5.701 120.212 114.554 -0.072 0.000 2.797 470 T HA 0.527 4.866 4.350 -0.018 0.000 0.279 470 T C -0.411 174.053 174.700 -0.394 0.000 0.991 470 T CA -0.444 61.555 62.100 -0.168 0.000 0.979 470 T CB 1.651 70.470 68.868 -0.082 0.000 0.943 470 T HN 0.165 nan 8.240 nan 0.000 0.444 471 V N 6.999 126.611 119.914 -0.504 0.000 2.378 471 V HA 0.383 4.493 4.120 -0.018 0.000 0.288 471 V C -2.231 173.601 176.094 -0.436 0.000 1.016 471 V CA -2.041 59.758 62.300 -0.834 0.000 0.840 471 V CB 1.327 32.586 31.823 -0.941 0.000 0.994 471 V HN 0.676 nan 8.190 nan 0.000 0.431 472 P HA 0.342 nan 4.420 nan 0.000 0.277 472 P C -0.254 176.983 177.300 -0.106 0.000 1.271 472 P CA -0.368 62.646 63.100 -0.144 0.000 0.795 472 P CB 0.571 32.246 31.700 -0.043 0.000 1.101 473 A N 0.515 123.299 122.820 -0.059 0.000 2.561 473 A HA 0.373 4.682 4.320 -0.018 0.000 0.234 473 A C 1.470 179.044 177.584 -0.016 0.000 1.055 473 A CA 0.935 52.950 52.037 -0.036 0.000 0.756 473 A CB -1.737 17.251 19.000 -0.020 0.000 0.986 473 A HN 0.891 nan 8.150 nan 0.000 0.505 474 G N 1.615 110.410 108.800 -0.009 0.000 2.184 474 G HA2 -0.228 3.721 3.960 -0.018 0.000 0.264 474 G HA3 -0.228 3.721 3.960 -0.018 0.000 0.264 474 G C 0.468 175.391 174.900 0.037 0.000 0.975 474 G CA 0.605 45.714 45.100 0.015 0.000 0.642 474 G HN 1.318 nan 8.290 nan 0.000 0.536 475 T N 2.625 117.194 114.554 0.024 0.000 2.831 475 T HA 0.383 4.723 4.350 -0.018 0.000 0.291 475 T C 0.981 175.755 174.700 0.123 0.000 0.981 475 T CA 0.949 63.095 62.100 0.076 0.000 1.174 475 T CB 0.617 69.483 68.868 -0.004 0.000 0.929 475 T HN 0.344 nan 8.240 nan 0.000 0.532 476 T N 7.642 122.312 114.554 0.193 0.000 2.831 476 T HA 0.098 4.437 4.350 -0.018 0.000 0.291 476 T C -2.028 172.816 174.700 0.240 0.000 0.981 476 T CA -0.848 61.362 62.100 0.184 0.000 1.174 476 T CB 0.021 68.996 68.868 0.178 0.000 0.929 476 T HN 0.341 nan 8.240 nan 0.000 0.532 477 P HA 0.301 nan 4.420 nan 0.000 0.261 477 P C 0.366 177.758 177.300 0.154 0.000 1.173 477 P CA 0.547 63.731 63.100 0.140 0.000 0.760 477 P CB 0.326 32.059 31.700 0.055 0.000 0.783 478 G N 2.342 111.273 108.800 0.220 0.000 2.320 478 G HA2 0.290 4.239 3.960 -0.018 0.000 0.296 478 G HA3 0.290 4.239 3.960 -0.018 0.000 0.296 478 G C -1.598 173.367 174.900 0.108 0.000 1.306 478 G CA -0.886 44.240 45.100 0.043 0.000 0.836 478 G HN 0.314 nan 8.290 nan 0.000 0.517 479 R N 0.326 120.783 120.500 -0.072 0.000 2.215 479 R HA 0.387 4.717 4.340 -0.018 0.000 0.337 479 R C -1.300 174.949 176.300 -0.084 0.000 1.010 479 R CA -0.294 55.814 56.100 0.014 0.000 0.871 479 R CB 0.936 31.223 30.300 -0.022 0.000 1.134 479 R HN 0.502 nan 8.270 nan 0.000 0.477 480 Y N 1.557 121.884 120.300 0.046 0.000 2.331 480 Y HA 0.311 4.851 4.550 -0.018 0.000 0.338 480 Y C 0.683 176.498 175.900 -0.142 0.000 0.992 480 Y CA -0.864 57.205 58.100 -0.052 0.000 1.121 480 Y CB 1.531 39.953 38.460 -0.064 0.000 1.184 480 Y HN 0.295 nan 8.280 nan 0.000 0.469 481 R N 2.539 122.999 120.500 -0.067 0.000 2.298 481 R HA 0.510 4.840 4.340 -0.018 0.000 0.310 481 R C -1.520 174.628 176.300 -0.255 0.000 1.068 481 R CA -0.255 55.754 56.100 -0.152 0.000 0.957 481 R CB 0.417 30.647 30.300 -0.116 0.000 1.003 481 R HN 0.535 nan 8.270 nan 0.000 0.454 482 V N 4.233 123.874 119.914 -0.455 0.000 2.448 482 V HA 0.477 4.587 4.120 -0.018 0.000 0.295 482 V C 0.669 176.560 176.094 -0.337 0.000 1.025 482 V CA -0.731 61.273 62.300 -0.493 0.000 0.859 482 V CB 1.697 33.048 31.823 -0.787 0.000 0.988 482 V HN 0.968 nan 8.190 nan 0.000 0.431 483 G N 2.907 111.629 108.800 -0.130 0.000 2.476 483 G HA2 0.718 4.667 3.960 -0.018 0.000 0.286 483 G HA3 0.718 4.667 3.960 -0.018 0.000 0.286 483 G C -0.542 174.429 174.900 0.118 0.000 1.177 483 G CA -0.077 45.022 45.100 -0.003 0.000 0.870 483 G HN 1.197 nan 8.290 nan 0.000 0.528 484 A N 0.536 123.474 122.820 0.198 0.000 2.427 484 A HA 0.777 5.086 4.320 -0.018 0.000 0.298 484 A C -0.405 177.390 177.584 0.352 0.000 1.036 484 A CA -0.560 51.667 52.037 0.316 0.000 0.701 484 A CB 1.764 21.063 19.000 0.497 0.000 1.250 484 A HN 0.719 nan 8.150 nan 0.000 0.412 485 T N 2.491 117.199 114.554 0.258 0.000 2.840 485 T HA 0.456 4.796 4.350 -0.018 0.000 0.287 485 T C -0.730 174.018 174.700 0.080 0.000 0.991 485 T CA -0.273 61.950 62.100 0.204 0.000 0.964 485 T CB 1.070 69.998 68.868 0.100 0.000 0.954 485 T HN 0.711 nan 8.240 nan 0.000 0.438 486 L N 4.955 126.180 121.223 0.005 0.000 2.283 486 L HA 0.431 4.761 4.340 -0.018 0.000 0.287 486 L C 0.025 176.857 176.870 -0.063 0.000 1.073 486 L CA -0.034 54.688 54.840 -0.196 0.000 0.822 486 L CB -0.067 41.702 42.059 -0.483 0.000 1.186 486 L HN 0.481 nan 8.230 nan 0.000 0.436 487 R N 3.825 124.291 120.500 -0.056 0.000 2.229 487 R HA 0.568 4.897 4.340 -0.018 0.000 0.328 487 R C -0.199 176.081 176.300 -0.034 0.000 1.009 487 R CA -0.295 55.788 56.100 -0.029 0.000 0.864 487 R CB 1.062 31.350 30.300 -0.020 0.000 1.085 487 R HN 0.773 nan 8.270 nan 0.000 0.453 488 T N -2.280 112.261 114.554 -0.021 0.000 2.887 488 T HA 0.160 4.500 4.350 -0.018 0.000 0.292 488 T C 1.228 175.924 174.700 -0.006 0.000 1.087 488 T CA -0.616 61.474 62.100 -0.017 0.000 1.009 488 T CB 1.653 70.511 68.868 -0.015 0.000 1.203 488 T HN 0.429 nan 8.240 nan 0.000 0.518 489 S N 0.286 115.985 115.700 -0.002 0.000 2.423 489 S HA 0.037 4.496 4.470 -0.018 0.000 0.231 489 S C 2.218 176.826 174.600 0.013 0.000 1.014 489 S CA 0.634 58.837 58.200 0.005 0.000 0.965 489 S CB -0.952 62.251 63.200 0.006 0.000 0.785 489 S HN 1.089 nan 8.310 nan 0.000 0.495 490 A N 1.304 124.133 122.820 0.015 0.000 2.067 490 A HA 0.583 4.892 4.320 -0.018 0.000 0.217 490 A C 1.325 178.925 177.584 0.028 0.000 1.156 490 A CA 0.775 52.827 52.037 0.025 0.000 0.683 490 A CB -0.686 18.330 19.000 0.026 0.000 0.808 490 A HN 1.305 nan 8.150 nan 0.000 0.455 491 G N -1.504 107.306 108.800 0.018 0.000 2.340 491 G HA2 0.261 4.211 3.960 -0.018 0.000 0.282 491 G HA3 0.261 4.211 3.960 -0.018 0.000 0.282 491 G C -1.870 173.037 174.900 0.012 0.000 1.312 491 G CA -0.546 44.562 45.100 0.013 0.000 0.942 491 G HN 0.230 nan 8.290 nan 0.000 0.495 492 N N -0.044 118.664 118.700 0.012 0.000 2.362 492 N HA 0.866 5.596 4.740 -0.018 0.000 0.299 492 N C -0.046 175.505 175.510 0.068 0.000 1.170 492 N CA 0.361 53.427 53.050 0.028 0.000 0.825 492 N CB 1.935 40.430 38.487 0.013 0.000 1.299 492 N HN 1.258 nan 8.380 nan 0.000 0.502 493 A N -0.169 122.727 122.820 0.127 0.000 2.527 493 A HA 0.860 5.170 4.320 -0.018 0.000 0.293 493 A C -0.661 177.137 177.584 0.356 0.000 1.117 493 A CA -0.486 51.685 52.037 0.224 0.000 0.723 493 A CB 1.063 20.241 19.000 0.296 0.000 1.313 493 A HN 0.741 nan 8.150 nan 0.000 0.411 494 S N -0.683 115.188 115.700 0.286 0.000 2.656 494 S HA 0.919 5.378 4.470 -0.018 0.000 0.273 494 S C -0.536 173.961 174.600 -0.172 0.000 1.168 494 S CA -0.013 58.308 58.200 0.202 0.000 0.817 494 S CB 1.629 64.909 63.200 0.133 0.000 1.146 494 S HN 1.820 nan 8.310 nan 0.000 0.475 495 T N 0.165 114.580 114.554 -0.232 0.000 2.718 495 T HA 0.778 5.118 4.350 -0.018 0.000 0.306 495 T C -1.685 172.988 174.700 -0.046 0.000 1.485 495 T CA 0.122 62.058 62.100 -0.274 0.000 0.997 495 T CB 1.276 69.761 68.868 -0.638 0.000 1.504 495 T HN 1.616 nan 8.240 nan 0.000 0.497 496 T N 0.385 114.949 114.554 0.016 0.000 2.896 496 T HA 0.864 5.203 4.350 -0.018 0.000 0.297 496 T C -1.096 173.723 174.700 0.198 0.000 1.108 496 T CA -0.819 61.324 62.100 0.072 0.000 1.004 496 T CB 1.498 70.362 68.868 -0.007 0.000 1.159 496 T HN 0.830 nan 8.240 nan 0.000 0.499 497 F N -1.586 118.372 119.950 0.014 0.000 2.685 497 F HA 0.824 5.340 4.527 -0.018 0.000 0.315 497 F C -0.902 174.934 175.800 0.060 0.000 1.126 497 F CA -1.173 56.844 58.000 0.028 0.000 0.950 497 F CB 1.325 40.349 39.000 0.039 0.000 1.360 497 F HN 0.575 nan 8.300 nan 0.000 0.469 498 T N 1.818 116.451 114.554 0.131 0.000 2.794 498 T HA 0.549 4.889 4.350 -0.018 0.000 0.280 498 T C -0.903 173.894 174.700 0.161 0.000 0.987 498 T CA -0.559 61.567 62.100 0.043 0.000 0.993 498 T CB 1.591 70.504 68.868 0.074 0.000 0.939 498 T HN 0.543 nan 8.240 nan 0.000 0.449 499 V N 4.436 124.443 119.914 0.154 0.000 2.333 499 V HA 0.285 4.394 4.120 -0.018 0.000 0.274 499 V C 0.498 176.781 176.094 0.314 0.000 1.028 499 V CA -0.576 61.893 62.300 0.281 0.000 0.851 499 V CB 1.274 33.328 31.823 0.385 0.000 1.000 499 V HN 0.968 nan 8.190 nan 0.000 0.456 500 T N 5.397 120.081 114.554 0.218 0.000 2.749 500 T HA 0.401 4.740 4.350 -0.018 0.000 0.295 500 T C -0.079 174.718 174.700 0.161 0.000 0.936 500 T CA -0.169 62.049 62.100 0.196 0.000 1.060 500 T CB 1.026 69.965 68.868 0.117 0.000 0.904 500 T HN 0.342 nan 8.240 nan 0.000 0.500 501 V N 3.083 123.127 119.914 0.218 0.000 2.370 501 V HA 0.600 4.710 4.120 -0.018 0.000 0.283 501 V C 1.163 177.314 176.094 0.096 0.000 1.023 501 V CA -0.465 61.905 62.300 0.116 0.000 0.857 501 V CB 0.930 32.817 31.823 0.107 0.000 0.985 501 V HN 1.164 nan 8.190 nan 0.000 0.443 502 G N 4.817 113.639 108.800 0.037 0.000 2.283 502 G HA2 -0.231 3.718 3.960 -0.018 0.000 0.280 502 G HA3 -0.231 3.718 3.960 -0.018 0.000 0.280 502 G C -0.323 174.587 174.900 0.016 0.000 1.029 502 G CA 0.560 45.672 45.100 0.020 0.000 0.840 502 G HN 0.586 nan 8.290 nan 0.000 0.505 503 L N -0.752 120.482 121.223 0.017 0.000 2.381 503 L HA 0.589 4.918 4.340 -0.018 0.000 0.268 503 L C 0.997 177.850 176.870 -0.029 0.000 0.997 503 L CA -1.315 53.524 54.840 -0.002 0.000 0.818 503 L CB 1.702 43.769 42.059 0.014 0.000 1.310 503 L HN -0.019 nan 8.230 nan 0.000 0.416 504 L N 0.791 121.971 121.223 -0.072 0.000 2.474 504 L HA 0.134 4.463 4.340 -0.018 0.000 0.259 504 L C 0.131 176.954 176.870 -0.078 0.000 1.232 504 L CA -0.095 54.663 54.840 -0.136 0.000 0.821 504 L CB 0.274 42.194 42.059 -0.233 0.000 1.108 504 L HN 0.576 nan 8.230 nan 0.000 0.495 505 D N 0.236 120.587 120.400 -0.082 0.000 2.380 505 D HA 0.090 4.720 4.640 -0.018 0.000 0.230 505 D C 0.824 177.107 176.300 -0.028 0.000 1.154 505 D CA -0.015 53.964 54.000 -0.034 0.000 0.859 505 D CB 1.158 41.949 40.800 -0.015 0.000 1.045 505 D HN 0.397 nan 8.370 nan 0.000 0.495 506 Q N 2.569 122.360 119.800 -0.014 0.000 2.197 506 Q HA -0.212 4.118 4.340 -0.018 0.000 0.207 506 Q C 1.794 177.793 176.000 -0.001 0.000 0.984 506 Q CA 1.567 57.367 55.803 -0.005 0.000 0.869 506 Q CB -0.022 28.718 28.738 0.003 0.000 0.906 506 Q HN 0.635 nan 8.270 nan 0.000 0.426 507 A N 0.976 123.797 122.820 0.001 0.000 2.024 507 A HA -0.169 4.141 4.320 -0.018 0.000 0.220 507 A C 1.871 179.458 177.584 0.005 0.000 1.164 507 A CA 1.110 53.149 52.037 0.004 0.000 0.643 507 A CB -0.137 18.866 19.000 0.006 0.000 0.806 507 A HN 0.107 nan 8.150 nan 0.000 0.451 508 R N -1.121 119.382 120.500 0.004 0.000 2.246 508 R HA 0.271 4.601 4.340 -0.018 0.000 0.199 508 R C 0.552 176.854 176.300 0.003 0.000 0.984 508 R CA 0.124 56.229 56.100 0.008 0.000 1.015 508 R CB -0.587 29.724 30.300 0.018 0.000 0.930 508 R HN 0.550 nan 8.270 nan 0.000 0.475 509 M N 0.400 120.000 119.600 -0.001 0.000 2.202 509 M HA 0.080 4.550 4.480 -0.018 0.000 0.316 509 M C 0.337 176.643 176.300 0.010 0.000 1.138 509 M CA 0.251 55.552 55.300 0.001 0.000 1.151 509 M CB 1.362 33.964 32.600 0.003 0.000 1.422 509 M HN -0.030 nan 8.290 nan 0.000 0.471 510 S N 0.637 116.349 115.700 0.020 0.000 2.638 510 S HA 0.618 5.077 4.470 -0.018 0.000 0.274 510 S C -0.852 173.773 174.600 0.041 0.000 1.157 510 S CA -1.148 57.068 58.200 0.027 0.000 0.826 510 S CB 1.074 64.293 63.200 0.033 0.000 1.139 510 S HN 0.470 nan 8.310 nan 0.000 0.474 511 I N 2.122 122.706 120.570 0.024 0.000 2.379 511 I HA 0.299 4.458 4.170 -0.018 0.000 0.290 511 I C 1.489 177.639 176.117 0.054 0.000 1.063 511 I CA -0.268 61.037 61.300 0.009 0.000 1.351 511 I CB 0.296 38.269 38.000 -0.045 0.000 1.410 511 I HN 0.996 nan 8.210 nan 0.000 0.505 512 A N 6.173 129.057 122.820 0.107 0.000 1.872 512 A HA -0.035 4.275 4.320 -0.018 0.000 0.214 512 A C 0.401 178.018 177.584 0.056 0.000 1.187 512 A CA 1.338 53.461 52.037 0.144 0.000 0.614 512 A CB -0.190 18.974 19.000 0.272 0.000 0.826 512 A HN 0.835 nan 8.150 nan 0.000 0.442 513 D N -4.546 115.856 120.400 0.003 0.000 2.653 513 D HA 0.504 5.134 4.640 -0.018 0.000 0.258 513 D C -1.079 175.155 176.300 -0.111 0.000 1.252 513 D CA -0.340 53.635 54.000 -0.042 0.000 0.777 513 D CB 1.627 42.403 40.800 -0.040 0.000 1.339 513 D HN 0.487 nan 8.370 nan 0.000 0.422 514 V N 0.701 120.556 119.914 -0.098 0.000 2.969 514 V HA 0.333 4.443 4.120 -0.018 0.000 0.304 514 V C -0.472 175.627 176.094 0.008 0.000 1.192 514 V CA -0.392 61.826 62.300 -0.137 0.000 0.962 514 V CB 2.094 33.764 31.823 -0.254 0.000 1.045 514 V HN 0.856 nan 8.190 nan 0.000 0.428 515 D N 3.041 123.501 120.400 0.101 0.000 2.234 515 D HA 0.048 4.677 4.640 -0.018 0.000 0.205 515 D C 0.616 177.026 176.300 0.183 0.000 0.962 515 D CA 1.112 55.196 54.000 0.140 0.000 0.855 515 D CB 0.804 41.718 40.800 0.191 0.000 0.951 515 D HN 0.525 nan 8.370 nan 0.000 0.500 516 S N -0.692 115.173 115.700 0.275 0.000 2.542 516 S HA 0.383 4.842 4.470 -0.018 0.000 0.276 516 S C -2.122 172.690 174.600 0.353 0.000 1.148 516 S CA -0.804 57.544 58.200 0.247 0.000 0.886 516 S CB 1.563 64.898 63.200 0.225 0.000 1.109 516 S HN 0.377 nan 8.310 nan 0.000 0.458 517 E N 1.674 122.014 120.200 0.233 0.000 2.352 517 E HA 0.531 4.871 4.350 -0.018 0.000 0.280 517 E C -1.404 175.247 176.600 0.084 0.000 0.930 517 E CA -0.949 55.608 56.400 0.263 0.000 0.765 517 E CB 1.447 31.333 29.700 0.310 0.000 1.219 517 E HN 0.369 nan 8.360 nan 0.000 0.434 518 E N 1.194 121.416 120.200 0.037 0.000 2.227 518 E HA 0.258 4.598 4.350 -0.018 0.000 0.282 518 E C -0.033 176.514 176.600 -0.089 0.000 1.015 518 E CA 0.054 56.369 56.400 -0.141 0.000 0.823 518 E CB 1.314 30.839 29.700 -0.292 0.000 1.081 518 E HN 0.690 nan 8.360 nan 0.000 0.396 519 T N 0.549 115.025 114.554 -0.129 0.000 2.993 519 T HA 0.327 4.667 4.350 -0.018 0.000 0.260 519 T C 1.423 176.046 174.700 -0.127 0.000 0.939 519 T CA 0.293 62.336 62.100 -0.095 0.000 0.886 519 T CB 0.180 69.016 68.868 -0.053 0.000 1.209 519 T HN 0.288 nan 8.240 nan 0.000 0.518 520 A N 2.272 124.977 122.820 -0.192 0.000 1.897 520 A HA 0.186 4.496 4.320 -0.018 0.000 0.215 520 A C 2.380 179.852 177.584 -0.186 0.000 1.181 520 A CA 0.630 52.558 52.037 -0.181 0.000 0.620 520 A CB -0.223 18.652 19.000 -0.209 0.000 0.821 520 A HN 0.285 nan 8.150 nan 0.000 0.443 521 R N -0.225 120.107 120.500 -0.280 0.000 2.365 521 R HA 0.171 4.501 4.340 -0.018 0.000 0.223 521 R C -0.428 175.870 176.300 -0.003 0.000 0.899 521 R CA 0.814 56.806 56.100 -0.180 0.000 1.059 521 R CB 0.170 30.243 30.300 -0.378 0.000 1.086 521 R HN 0.899 nan 8.270 nan 0.000 0.522 522 E N -0.943 119.236 120.200 -0.034 0.000 2.403 522 E HA 0.072 4.412 4.350 -0.018 0.000 0.280 522 E C -1.708 174.871 176.600 -0.035 0.000 1.101 522 E CA -0.815 55.597 56.400 0.020 0.000 0.856 522 E CB 0.456 30.241 29.700 0.142 0.000 1.303 522 E HN -0.274 nan 8.360 nan 0.000 0.441 523 D N 0.893 121.251 120.400 -0.069 0.000 2.470 523 D HA 0.241 4.870 4.640 -0.018 0.000 0.226 523 D C 0.171 176.375 176.300 -0.161 0.000 1.196 523 D CA 0.098 54.035 54.000 -0.105 0.000 0.979 523 D CB 0.421 41.147 40.800 -0.123 0.000 1.059 523 D HN 0.619 nan 8.370 nan 0.000 0.515 524 G N 3.263 112.041 108.800 -0.036 0.000 3.707 524 G HA2 0.035 3.984 3.960 -0.018 0.000 0.286 524 G HA3 0.035 3.984 3.960 -0.018 0.000 0.286 524 G C 0.632 175.642 174.900 0.183 0.000 1.112 524 G CA -0.508 44.644 45.100 0.087 0.000 0.861 524 G HN 0.300 nan 8.290 nan 0.000 0.534 525 R N 0.048 120.599 120.500 0.086 0.000 2.638 525 R HA 0.204 4.533 4.340 -0.018 0.000 0.268 525 R C 1.645 178.054 176.300 0.181 0.000 1.006 525 R CA 0.313 56.481 56.100 0.113 0.000 1.088 525 R CB 0.794 31.113 30.300 0.032 0.000 0.950 525 R HN 0.172 nan 8.270 nan 0.000 0.419 526 A N 2.213 125.107 122.820 0.124 0.000 1.940 526 A HA -0.204 4.105 4.320 -0.018 0.000 0.219 526 A C 2.082 179.636 177.584 -0.050 0.000 1.176 526 A CA 1.918 53.896 52.037 -0.099 0.000 0.631 526 A CB -0.544 18.243 19.000 -0.356 0.000 0.814 526 A HN 0.856 nan 8.150 nan 0.000 0.446 527 S N 0.646 116.335 115.700 -0.017 0.000 2.465 527 S HA -0.179 4.280 4.470 -0.018 0.000 0.241 527 S C 1.356 175.966 174.600 0.017 0.000 1.000 527 S CA 1.264 59.461 58.200 -0.006 0.000 0.964 527 S CB -0.689 62.508 63.200 -0.004 0.000 0.763 527 S HN 0.573 nan 8.310 nan 0.000 0.512 528 N N 1.897 120.622 118.700 0.041 0.000 2.585 528 N HA -0.034 4.695 4.740 -0.018 0.000 0.188 528 N C 1.641 177.197 175.510 0.077 0.000 1.102 528 N CA 1.155 54.229 53.050 0.040 0.000 0.920 528 N CB -0.437 38.056 38.487 0.011 0.000 0.963 528 N HN 0.705 nan 8.380 nan 0.000 0.447 529 V N -0.982 118.989 119.914 0.096 0.000 3.306 529 V HA 0.100 4.209 4.120 -0.018 0.000 0.264 529 V C 1.276 177.403 176.094 0.054 0.000 1.149 529 V CA 0.709 63.069 62.300 0.101 0.000 1.143 529 V CB -0.709 31.189 31.823 0.124 0.000 0.767 529 V HN 0.286 nan 8.190 nan 0.000 0.476 530 I N -0.864 119.726 120.570 0.033 0.000 3.654 530 I HA 0.465 4.624 4.170 -0.018 0.000 0.337 530 I C 0.627 176.753 176.117 0.015 0.000 1.568 530 I CA 0.012 61.325 61.300 0.021 0.000 1.115 530 I CB 0.205 38.214 38.000 0.015 0.000 1.300 530 I HN 0.225 nan 8.210 nan 0.000 0.471 531 D N 0.652 121.062 120.400 0.016 0.000 2.395 531 D HA 0.144 4.773 4.640 -0.018 0.000 0.213 531 D C 1.436 177.742 176.300 0.011 0.000 1.110 531 D CA 0.227 54.233 54.000 0.010 0.000 0.835 531 D CB 0.392 41.195 40.800 0.005 0.000 0.965 531 D HN 0.453 nan 8.370 nan 0.000 0.505 532 G N 0.882 109.690 108.800 0.014 0.000 2.179 532 G HA2 -0.310 3.640 3.960 -0.018 0.000 0.257 532 G HA3 -0.310 3.640 3.960 -0.018 0.000 0.257 532 G C -0.087 174.826 174.900 0.023 0.000 1.010 532 G CA 0.176 45.285 45.100 0.014 0.000 0.736 532 G HN 0.587 nan 8.290 nan 0.000 0.513 533 N N -0.094 118.622 118.700 0.026 0.000 2.576 533 N HA 0.454 5.183 4.740 -0.018 0.000 0.269 533 N C -1.282 174.253 175.510 0.041 0.000 1.058 533 N CA -2.053 51.021 53.050 0.039 0.000 0.860 533 N CB 2.051 40.559 38.487 0.034 0.000 1.249 533 N HN -0.017 nan 8.380 nan 0.000 0.525 534 P HA -0.041 nan 4.420 nan 0.000 0.234 534 P C 0.865 178.205 177.300 0.066 0.000 1.167 534 P CA 0.691 63.807 63.100 0.026 0.000 0.763 534 P CB 0.195 31.885 31.700 -0.016 0.000 0.835 535 S N -1.289 114.454 115.700 0.072 0.000 2.527 535 S HA 0.007 4.467 4.470 -0.018 0.000 0.222 535 S C 0.940 175.615 174.600 0.125 0.000 0.985 535 S CA 0.256 58.517 58.200 0.102 0.000 0.921 535 S CB -1.366 61.874 63.200 0.067 0.000 0.772 535 S HN 0.286 nan 8.310 nan 0.000 0.529 536 T N 0.561 115.155 114.554 0.067 0.000 2.855 536 T HA 0.718 5.058 4.350 -0.018 0.000 0.281 536 T C -0.673 174.037 174.700 0.016 0.000 1.007 536 T CA -1.020 61.031 62.100 -0.082 0.000 1.009 536 T CB 1.152 69.967 68.868 -0.089 0.000 0.983 536 T HN 0.402 nan 8.240 nan 0.000 0.455 537 F N -0.774 119.219 119.950 0.072 0.000 2.613 537 F HA 0.724 5.240 4.527 -0.018 0.000 0.310 537 F C -0.960 174.957 175.800 0.195 0.000 1.085 537 F CA -2.282 55.783 58.000 0.108 0.000 0.945 537 F CB 0.793 39.827 39.000 0.057 0.000 1.298 537 F HN 0.789 nan 8.300 nan 0.000 0.455 538 W N 4.474 125.909 121.300 0.225 0.000 2.308 538 W HA 0.334 4.984 4.660 -0.017 0.000 0.324 538 W C -1.119 175.627 176.519 0.377 0.000 1.387 538 W CA 0.013 57.480 57.345 0.205 0.000 1.250 538 W CB -0.003 29.539 29.460 0.137 0.000 1.257 538 W HN 0.712 nan 8.180 nan 0.000 0.554 539 H N 5.287 124.382 119.070 0.042 0.000 2.609 539 H HA 0.250 4.795 4.556 -0.018 0.000 0.344 539 H C 0.054 175.170 175.328 -0.354 0.000 1.040 539 H CA -0.100 55.845 56.048 -0.171 0.000 1.216 539 H CB 1.316 31.219 29.762 0.236 0.000 1.529 539 H HN 0.491 nan 8.280 nan 0.000 0.519 540 T N 1.209 115.513 114.554 -0.417 0.000 2.795 540 T HA -0.000 4.339 4.350 -0.018 0.000 0.314 540 T C 0.546 175.308 174.700 0.103 0.000 1.069 540 T CA -0.669 61.323 62.100 -0.181 0.000 1.071 540 T CB 0.813 69.315 68.868 -0.611 0.000 0.988 540 T HN 0.678 nan 8.240 nan 0.000 0.543 541 E N 1.618 121.856 120.200 0.063 0.000 2.414 541 E HA 0.006 4.346 4.350 -0.018 0.000 0.263 541 E C 0.395 176.954 176.600 -0.067 0.000 1.000 541 E CA -0.417 55.954 56.400 -0.048 0.000 0.914 541 E CB 0.162 29.845 29.700 -0.028 0.000 0.948 541 E HN 0.904 nan 8.360 nan 0.000 0.444 542 W N 3.420 124.507 121.300 -0.355 0.000 2.592 542 W HA 0.119 4.768 4.660 -0.017 0.000 0.306 542 W C 0.771 177.176 176.519 -0.191 0.000 0.991 542 W CA 0.293 57.319 57.345 -0.533 0.000 1.430 542 W CB -0.395 28.346 29.460 -1.198 0.000 1.017 542 W HN 0.477 nan 8.180 nan 0.000 0.557 543 S N 0.922 116.189 115.700 -0.721 0.000 2.575 543 S HA 0.284 4.744 4.470 -0.018 0.000 0.215 543 S C 0.530 174.984 174.600 -0.243 0.000 0.966 543 S CA -0.153 57.626 58.200 -0.702 0.000 0.911 543 S CB -0.131 62.400 63.200 -1.115 0.000 0.780 543 S HN 0.129 nan 8.310 nan 0.000 0.514 544 R N 0.054 120.481 120.500 -0.121 0.000 2.514 544 R HA 0.665 4.995 4.340 -0.018 0.000 0.301 544 R C 0.944 177.288 176.300 0.075 0.000 0.962 544 R CA 0.059 56.148 56.100 -0.019 0.000 0.882 544 R CB 1.354 31.638 30.300 -0.027 0.000 1.143 544 R HN 0.206 nan 8.270 nan 0.000 0.452 545 A N 2.034 124.905 122.820 0.085 0.000 1.969 545 A HA -0.183 4.126 4.320 -0.018 0.000 0.218 545 A C 1.282 178.932 177.584 0.111 0.000 1.169 545 A CA 1.813 53.921 52.037 0.118 0.000 0.635 545 A CB -0.328 18.725 19.000 0.089 0.000 0.810 545 A HN 0.862 nan 8.150 nan 0.000 0.445 546 D N 0.351 120.799 120.400 0.080 0.000 2.378 546 D HA 0.274 4.903 4.640 -0.018 0.000 0.227 546 D C 0.707 177.060 176.300 0.089 0.000 1.012 546 D CA 0.458 54.500 54.000 0.071 0.000 0.905 546 D CB -0.765 40.062 40.800 0.046 0.000 0.895 546 D HN 0.418 nan 8.370 nan 0.000 0.532 547 A N 1.711 124.605 122.820 0.124 0.000 2.561 547 A HA 0.296 4.605 4.320 -0.018 0.000 0.234 547 A C -1.837 175.856 177.584 0.181 0.000 1.055 547 A CA -0.831 51.303 52.037 0.161 0.000 0.756 547 A CB -0.279 18.863 19.000 0.236 0.000 0.986 547 A HN 0.207 nan 8.150 nan 0.000 0.505 548 P HA 0.210 nan 4.420 nan 0.000 0.272 548 P C 0.542 177.963 177.300 0.201 0.000 1.223 548 P CA 0.319 63.514 63.100 0.158 0.000 0.784 548 P CB 0.765 32.553 31.700 0.147 0.000 0.923 549 G N 0.998 109.838 108.800 0.067 0.000 2.531 549 G HA2 0.273 4.222 3.960 -0.018 0.000 0.253 549 G HA3 0.273 4.222 3.960 -0.018 0.000 0.253 549 G C -0.773 173.899 174.900 -0.380 0.000 1.439 549 G CA -0.574 44.526 45.100 -0.001 0.000 1.056 549 G HN 0.370 nan 8.290 nan 0.000 0.555 550 Y N 1.324 121.401 120.300 -0.371 0.000 2.379 550 Y HA 0.288 4.827 4.550 -0.018 0.000 0.337 550 Y C -1.023 174.715 175.900 -0.271 0.000 1.238 550 Y CA -0.890 56.922 58.100 -0.479 0.000 1.405 550 Y CB 0.452 38.786 38.460 -0.210 0.000 1.310 550 Y HN 0.259 nan 8.280 nan 0.000 0.569 551 P HA 0.179 nan 4.420 nan 0.000 0.277 551 P C -0.998 176.129 177.300 -0.288 0.000 1.240 551 P CA -0.075 63.004 63.100 -0.034 0.000 0.798 551 P CB 1.126 32.849 31.700 0.040 0.000 0.979 552 H N 0.793 119.892 119.070 0.048 0.000 2.693 552 H HA 0.643 5.189 4.556 -0.018 0.000 0.348 552 H C 0.103 175.565 175.328 0.225 0.000 1.222 552 H CA -0.443 55.657 56.048 0.088 0.000 1.270 552 H CB 2.256 31.999 29.762 -0.032 0.000 1.798 552 H HN 0.439 nan 8.280 nan 0.000 0.592 553 R N 0.802 121.556 120.500 0.423 0.000 2.604 553 R HA 0.460 4.789 4.340 -0.018 0.000 0.261 553 R C -2.014 174.267 176.300 -0.032 0.000 1.080 553 R CA -0.515 55.681 56.100 0.160 0.000 0.917 553 R CB 2.162 32.473 30.300 0.018 0.000 1.252 553 R HN 0.692 nan 8.270 nan 0.000 0.456 554 I N 2.246 122.712 120.570 -0.173 0.000 2.680 554 I HA 0.415 4.574 4.170 -0.018 0.000 0.291 554 I C -1.675 174.325 176.117 -0.195 0.000 1.244 554 I CA -0.240 60.816 61.300 -0.406 0.000 1.042 554 I CB 2.443 39.871 38.000 -0.954 0.000 1.277 554 I HN 0.669 nan 8.210 nan 0.000 0.423 555 S N 7.347 122.961 115.700 -0.144 0.000 2.526 555 S HA 0.718 5.178 4.470 -0.018 0.000 0.293 555 S C -0.960 173.696 174.600 0.093 0.000 1.092 555 S CA -0.712 57.488 58.200 -0.000 0.000 0.980 555 S CB 2.081 65.269 63.200 -0.020 0.000 1.048 555 S HN 0.467 nan 8.310 nan 0.000 0.483 556 L N 1.885 123.230 121.223 0.203 0.000 2.365 556 L HA 0.519 4.848 4.340 -0.018 0.000 0.273 556 L C -0.775 176.252 176.870 0.261 0.000 1.000 556 L CA -0.862 54.082 54.840 0.173 0.000 0.819 556 L CB 1.615 43.742 42.059 0.114 0.000 1.284 556 L HN 0.547 nan 8.230 nan 0.000 0.418 557 D N 2.768 123.277 120.400 0.181 0.000 2.316 557 D HA 0.211 4.840 4.640 -0.018 0.000 0.245 557 D C 0.700 176.952 176.300 -0.079 0.000 1.171 557 D CA -0.059 53.941 54.000 0.000 0.000 0.856 557 D CB 1.531 42.384 40.800 0.087 0.000 1.090 557 D HN 0.423 nan 8.370 nan 0.000 0.476 558 L N 3.011 124.127 121.223 -0.178 0.000 2.478 558 L HA 0.122 4.452 4.340 -0.018 0.000 0.223 558 L C 1.846 178.698 176.870 -0.031 0.000 1.140 558 L CA 0.597 55.397 54.840 -0.068 0.000 0.842 558 L CB -0.179 41.869 42.059 -0.017 0.000 0.953 558 L HN 0.764 nan 8.230 nan 0.000 0.452 559 G N -0.269 108.484 108.800 -0.078 0.000 2.179 559 G HA2 -0.171 3.778 3.960 -0.018 0.000 0.260 559 G HA3 -0.171 3.778 3.960 -0.018 0.000 0.260 559 G C 0.433 175.327 174.900 -0.011 0.000 0.977 559 G CA -0.090 44.992 45.100 -0.029 0.000 0.641 559 G HN 0.728 nan 8.290 nan 0.000 0.533 560 G N -2.244 106.547 108.800 -0.015 0.000 2.355 560 G HA2 0.594 4.543 3.960 -0.018 0.000 0.296 560 G HA3 0.594 4.543 3.960 -0.018 0.000 0.296 560 G C -0.690 174.162 174.900 -0.082 0.000 1.507 560 G CA 0.427 45.493 45.100 -0.057 0.000 0.823 560 G HN 0.828 nan 8.290 nan 0.000 0.569 561 T N 1.139 115.583 114.554 -0.184 0.000 2.851 561 T HA 0.580 4.919 4.350 -0.018 0.000 0.298 561 T C -0.452 174.075 174.700 -0.288 0.000 0.977 561 T CA 0.530 62.544 62.100 -0.144 0.000 1.126 561 T CB 0.397 69.201 68.868 -0.106 0.000 0.916 561 T HN 0.510 nan 8.240 nan 0.000 0.529 562 H N 0.017 119.084 119.070 -0.005 0.000 2.961 562 H HA 0.360 4.906 4.556 -0.018 0.000 0.371 562 H C -0.234 175.116 175.328 0.037 0.000 1.190 562 H CA -0.659 55.397 56.048 0.014 0.000 1.138 562 H CB 1.317 31.089 29.762 0.016 0.000 1.816 562 H HN 0.438 nan 8.280 nan 0.000 0.551 563 T N 3.760 118.416 114.554 0.170 0.000 2.751 563 T HA 0.315 4.655 4.350 -0.018 0.000 0.290 563 T C 0.246 175.030 174.700 0.141 0.000 0.919 563 T CA -0.090 62.089 62.100 0.131 0.000 1.136 563 T CB -0.837 68.082 68.868 0.086 0.000 0.875 563 T HN 0.400 nan 8.240 nan 0.000 0.532 564 I N 0.507 121.178 120.570 0.168 0.000 2.740 564 I HA 0.768 4.927 4.170 -0.018 0.000 0.303 564 I C 0.468 176.651 176.117 0.110 0.000 1.044 564 I CA -0.850 60.544 61.300 0.156 0.000 1.064 564 I CB 2.506 40.648 38.000 0.237 0.000 1.249 564 I HN 0.468 nan 8.210 nan 0.000 0.433 565 S N 1.531 117.106 115.700 -0.209 0.000 2.998 565 S HA 0.657 5.117 4.470 -0.018 0.000 0.256 565 S C 0.093 173.979 174.600 -1.191 0.000 0.970 565 S CA 0.049 57.866 58.200 -0.639 0.000 1.238 565 S CB 0.091 63.140 63.200 -0.252 0.000 1.170 565 S HN 1.454 nan 8.310 nan 0.000 0.663 566 G N 0.773 108.975 108.800 -0.997 0.000 2.547 566 G HA2 0.540 4.489 3.960 -0.018 0.000 0.291 566 G HA3 0.540 4.489 3.960 -0.018 0.000 0.291 566 G C -2.436 172.410 174.900 -0.091 0.000 1.471 566 G CA -0.689 44.053 45.100 -0.597 0.000 0.798 566 G HN 0.393 nan 8.290 nan 0.000 0.504 567 L N -0.101 121.184 121.223 0.103 0.000 2.346 567 L HA 0.703 5.033 4.340 -0.018 0.000 0.274 567 L C -0.257 176.676 176.870 0.105 0.000 1.007 567 L CA -0.615 54.324 54.840 0.164 0.000 0.818 567 L CB 1.989 44.209 42.059 0.268 0.000 1.284 567 L HN 0.606 nan 8.230 nan 0.000 0.424 568 Q N 3.853 123.696 119.800 0.071 0.000 2.331 568 Q HA 0.306 4.635 4.340 -0.018 0.000 0.267 568 Q C -1.790 174.221 176.000 0.019 0.000 1.006 568 Q CA -0.605 55.218 55.803 0.032 0.000 0.818 568 Q CB 2.507 31.242 28.738 -0.004 0.000 1.276 568 Q HN 0.608 nan 8.270 nan 0.000 0.450 569 Y N 1.197 121.363 120.300 -0.222 0.000 2.335 569 Y HA 0.422 4.961 4.550 -0.018 0.000 0.338 569 Y C -1.041 174.672 175.900 -0.312 0.000 0.977 569 Y CA -0.353 57.543 58.100 -0.340 0.000 1.114 569 Y CB 1.594 39.571 38.460 -0.804 0.000 1.182 569 Y HN 0.425 nan 8.280 nan 0.000 0.463 570 T N 7.300 121.442 114.554 -0.687 0.000 2.786 570 T HA 0.377 4.716 4.350 -0.018 0.000 0.283 570 T C -0.429 173.742 174.700 -0.881 0.000 0.992 570 T CA -0.919 60.760 62.100 -0.701 0.000 0.954 570 T CB 0.478 69.159 68.868 -0.312 0.000 0.934 570 T HN 0.812 nan 8.240 nan 0.000 0.440 571 R N 2.418 122.359 120.500 -0.930 0.000 2.784 571 R HA 0.297 4.626 4.340 -0.018 0.000 0.266 571 R C 0.320 176.460 176.300 -0.267 0.000 1.044 571 R CA -0.780 55.000 56.100 -0.534 0.000 1.151 571 R CB 0.821 30.955 30.300 -0.277 0.000 1.037 571 R HN 0.505 nan 8.270 nan 0.000 0.478 572 R N 1.022 121.397 120.500 -0.208 0.000 2.585 572 R HA -0.096 4.233 4.340 -0.018 0.000 0.275 572 R C 0.333 176.511 176.300 -0.204 0.000 1.018 572 R CA 0.174 56.129 56.100 -0.242 0.000 1.072 572 R CB 0.660 30.664 30.300 -0.493 0.000 0.953 572 R HN 0.728 nan 8.270 nan 0.000 0.419 573 Q N 1.930 121.644 119.800 -0.143 0.000 2.339 573 Q HA -0.055 4.274 4.340 -0.018 0.000 0.205 573 Q C 0.525 176.460 176.000 -0.108 0.000 0.925 573 Q CA 0.922 56.662 55.803 -0.104 0.000 0.898 573 Q CB 0.234 28.938 28.738 -0.057 0.000 1.013 573 Q HN 0.721 nan 8.270 nan 0.000 0.504 574 N N -0.760 117.861 118.700 -0.133 0.000 2.234 574 N HA 0.074 4.803 4.740 -0.018 0.000 0.227 574 N C -0.594 174.825 175.510 -0.153 0.000 1.151 574 N CA -0.103 52.883 53.050 -0.106 0.000 0.865 574 N CB 0.894 39.356 38.487 -0.042 0.000 1.066 574 N HN -0.161 nan 8.380 nan 0.000 0.515 575 S N -1.333 114.243 115.700 -0.207 0.000 2.537 575 S HA 0.700 5.160 4.470 -0.018 0.000 0.271 575 S C -0.922 173.563 174.600 -0.192 0.000 1.148 575 S CA -0.149 57.926 58.200 -0.207 0.000 0.868 575 S CB 1.220 64.261 63.200 -0.264 0.000 1.115 575 S HN 0.269 nan 8.310 nan 0.000 0.461 576 A N 2.768 125.491 122.820 -0.162 0.000 2.469 576 A HA 0.384 4.694 4.320 -0.018 0.000 0.245 576 A C 0.632 178.133 177.584 -0.139 0.000 1.221 576 A CA -0.036 51.924 52.037 -0.129 0.000 0.946 576 A CB -0.104 18.839 19.000 -0.095 0.000 1.049 576 A HN 0.606 nan 8.150 nan 0.000 0.529 577 N N 0.662 119.241 118.700 -0.203 0.000 2.273 577 N HA 0.195 4.924 4.740 -0.018 0.000 0.231 577 N C -0.622 174.789 175.510 -0.164 0.000 1.134 577 N CA 0.316 53.188 53.050 -0.297 0.000 0.856 577 N CB 0.611 38.750 38.487 -0.579 0.000 1.068 577 N HN 0.418 nan 8.380 nan 0.000 0.510 578 E N -0.410 119.724 120.200 -0.111 0.000 3.428 578 E HA 0.190 4.530 4.350 -0.018 0.000 0.191 578 E C -0.682 175.910 176.600 -0.013 0.000 0.980 578 E CA -0.185 56.172 56.400 -0.070 0.000 1.305 578 E CB 0.571 30.092 29.700 -0.298 0.000 1.105 578 E HN 0.163 nan 8.360 nan 0.000 0.455 579 Q N 0.716 120.547 119.800 0.053 0.000 2.257 579 Q HA 0.377 4.707 4.340 -0.018 0.000 0.255 579 Q C -0.188 175.929 176.000 0.194 0.000 0.920 579 Q CA -0.806 55.072 55.803 0.126 0.000 0.927 579 Q CB 2.180 30.978 28.738 0.100 0.000 1.229 579 Q HN 0.067 nan 8.270 nan 0.000 0.433 580 V N 2.348 122.427 119.914 0.275 0.000 2.599 580 V HA 0.046 4.155 4.120 -0.018 0.000 0.300 580 V C 0.576 176.799 176.094 0.215 0.000 1.034 580 V CA 0.708 63.150 62.300 0.237 0.000 1.115 580 V CB 0.478 32.392 31.823 0.153 0.000 0.934 580 V HN 1.019 nan 8.190 nan 0.000 0.485 581 A N 4.172 127.064 122.820 0.121 0.000 2.392 581 A HA 0.302 4.611 4.320 -0.018 0.000 0.217 581 A C 0.542 178.145 177.584 0.030 0.000 2.391 581 A CA -0.158 51.926 52.037 0.079 0.000 1.329 581 A CB -0.129 18.864 19.000 -0.012 0.000 1.199 581 A HN 0.695 nan 8.150 nan 0.000 0.527 582 D N 0.451 120.823 120.400 -0.047 0.000 2.389 582 D HA 0.466 5.095 4.640 -0.018 0.000 0.247 582 D C -0.930 175.336 176.300 -0.057 0.000 1.128 582 D CA 0.782 54.708 54.000 -0.123 0.000 0.884 582 D CB 0.654 41.373 40.800 -0.135 0.000 1.194 582 D HN 0.453 nan 8.370 nan 0.000 0.441 583 Y N -1.556 118.600 120.300 -0.239 0.000 2.588 583 Y HA 0.639 5.178 4.550 -0.018 0.000 0.343 583 Y C -0.805 175.013 175.900 -0.137 0.000 1.065 583 Y CA -1.141 56.853 58.100 -0.176 0.000 1.038 583 Y CB 1.392 39.663 38.460 -0.315 0.000 1.297 583 Y HN 0.163 nan 8.280 nan 0.000 0.467 584 E N 2.158 122.392 120.200 0.056 0.000 2.369 584 E HA 0.679 5.018 4.350 -0.018 0.000 0.270 584 E C -1.543 175.145 176.600 0.147 0.000 0.909 584 E CA -1.000 55.392 56.400 -0.012 0.000 0.775 584 E CB 3.264 32.919 29.700 -0.076 0.000 1.270 584 E HN 0.630 nan 8.360 nan 0.000 0.445 585 I N 1.803 122.364 120.570 -0.015 0.000 2.465 585 I HA 0.383 4.543 4.170 -0.018 0.000 0.291 585 I C -1.174 174.791 176.117 -0.253 0.000 1.014 585 I CA -0.754 60.567 61.300 0.034 0.000 1.093 585 I CB 0.979 39.062 38.000 0.138 0.000 1.267 585 I HN 0.430 nan 8.210 nan 0.000 0.431 586 Y N 2.679 123.007 120.300 0.047 0.000 2.509 586 Y HA 0.609 5.149 4.550 -0.018 0.000 0.341 586 Y C 0.559 176.603 175.900 0.239 0.000 1.038 586 Y CA -0.742 57.428 58.100 0.117 0.000 1.089 586 Y CB 2.348 40.913 38.460 0.176 0.000 1.241 586 Y HN 0.533 nan 8.280 nan 0.000 0.468 587 T N -1.572 113.190 114.554 0.347 0.000 2.932 587 T HA 0.769 5.109 4.350 -0.018 0.000 0.289 587 T C -0.602 174.198 174.700 0.167 0.000 1.039 587 T CA -0.846 61.428 62.100 0.291 0.000 1.024 587 T CB 1.871 70.786 68.868 0.078 0.000 1.090 587 T HN 0.576 nan 8.240 nan 0.000 0.496 588 S N 0.158 115.798 115.700 -0.099 0.000 2.588 588 S HA 0.565 5.024 4.470 -0.018 0.000 0.275 588 S C 0.215 174.746 174.600 -0.114 0.000 1.130 588 S CA -0.921 57.038 58.200 -0.401 0.000 0.855 588 S CB 1.434 63.822 63.200 -1.352 0.000 1.116 588 S HN 0.740 nan 8.310 nan 0.000 0.472 589 L N 2.328 123.481 121.223 -0.117 0.000 2.253 589 L HA 0.182 4.512 4.340 -0.018 0.000 0.205 589 L C 1.674 178.574 176.870 0.050 0.000 1.078 589 L CA 0.664 55.498 54.840 -0.010 0.000 0.805 589 L CB -0.211 41.829 42.059 -0.032 0.000 0.963 589 L HN 0.823 nan 8.230 nan 0.000 0.459 590 N N -1.038 117.604 118.700 -0.096 0.000 2.250 590 N HA 0.097 4.826 4.740 -0.018 0.000 0.190 590 N C 1.284 176.620 175.510 -0.291 0.000 1.116 590 N CA 0.802 53.796 53.050 -0.093 0.000 0.881 590 N CB 0.631 39.044 38.487 -0.124 0.000 1.006 590 N HN 0.140 nan 8.380 nan 0.000 0.491 591 G N -0.725 107.620 108.800 -0.758 0.000 2.195 591 G HA2 -0.336 3.613 3.960 -0.018 0.000 0.246 591 G HA3 -0.336 3.613 3.960 -0.018 0.000 0.246 591 G C 0.903 175.456 174.900 -0.578 0.000 0.984 591 G CA 1.095 45.461 45.100 -1.223 0.000 0.633 591 G HN 0.646 nan 8.290 nan 0.000 0.525 592 T N -3.457 110.810 114.554 -0.479 0.000 3.075 592 T HA 0.416 4.755 4.350 -0.018 0.000 0.251 592 T C 1.057 175.656 174.700 -0.168 0.000 0.979 592 T CA 1.458 63.460 62.100 -0.162 0.000 1.033 592 T CB 0.665 69.475 68.868 -0.096 0.000 1.104 592 T HN 1.207 nan 8.240 nan 0.000 0.473 593 T N 1.317 115.671 114.554 -0.334 0.000 2.743 593 T HA 0.517 4.857 4.350 -0.018 0.000 0.292 593 T C -1.630 172.849 174.700 -0.367 0.000 0.972 593 T CA -0.759 61.217 62.100 -0.207 0.000 0.967 593 T CB 0.074 68.888 68.868 -0.090 0.000 0.926 593 T HN 0.393 nan 8.240 nan 0.000 0.459 594 W N 3.468 124.759 121.300 -0.016 0.000 2.433 594 W HA 0.509 5.158 4.660 -0.018 0.000 0.315 594 W C -0.056 176.525 176.519 0.102 0.000 1.087 594 W CA -0.794 56.570 57.345 0.031 0.000 1.205 594 W CB 1.074 30.507 29.460 -0.046 0.000 1.288 594 W HN 0.542 nan 8.180 nan 0.000 0.504 595 D N 1.698 122.283 120.400 0.309 0.000 2.185 595 D HA 0.670 5.299 4.640 -0.018 0.000 0.247 595 D C 0.407 176.867 176.300 0.266 0.000 1.027 595 D CA -0.004 54.128 54.000 0.220 0.000 0.861 595 D CB 2.047 42.900 40.800 0.087 0.000 1.202 595 D HN 0.608 nan 8.370 nan 0.000 0.453 596 G N 1.502 110.388 108.800 0.145 0.000 2.369 596 G HA2 0.121 4.070 3.960 -0.018 0.000 0.295 596 G HA3 0.121 4.070 3.960 -0.018 0.000 0.295 596 G C -3.053 171.774 174.900 -0.121 0.000 1.298 596 G CA -1.034 43.968 45.100 -0.163 0.000 0.940 596 G HN 0.313 nan 8.290 nan 0.000 0.536 597 P HA 0.356 nan 4.420 nan 0.000 0.276 597 P C 1.190 178.262 177.300 -0.381 0.000 1.243 597 P CA 0.017 62.688 63.100 -0.715 0.000 0.768 597 P CB 1.359 32.748 31.700 -0.519 0.000 0.856 598 V N 0.593 120.265 119.914 -0.402 0.000 2.951 598 V HA 0.394 4.503 4.120 -0.018 0.000 0.255 598 V C 0.608 176.617 176.094 -0.142 0.000 1.088 598 V CA 1.194 63.311 62.300 -0.305 0.000 1.109 598 V CB -0.926 30.562 31.823 -0.558 0.000 0.724 598 V HN 0.575 nan 8.190 nan 0.000 0.471 599 A N -0.043 122.716 122.820 -0.102 0.000 2.609 599 A HA 0.896 5.205 4.320 -0.018 0.000 0.291 599 A C -0.415 177.123 177.584 -0.077 0.000 1.096 599 A CA 0.118 52.191 52.037 0.060 0.000 0.684 599 A CB 1.678 20.880 19.000 0.336 0.000 1.282 599 A HN 1.482 nan 8.150 nan 0.000 0.412 600 S N -0.837 114.734 115.700 -0.214 0.000 2.578 600 S HA 0.908 5.367 4.470 -0.018 0.000 0.272 600 S C -0.316 173.791 174.600 -0.822 0.000 1.145 600 S CA 0.294 58.102 58.200 -0.653 0.000 0.835 600 S CB 0.955 63.910 63.200 -0.408 0.000 1.104 600 S HN 2.773 nan 8.310 nan 0.000 0.458 601 G N 0.761 108.806 108.800 -1.258 0.000 2.336 601 G HA2 0.544 4.494 3.960 -0.018 0.000 0.286 601 G HA3 0.544 4.494 3.960 -0.018 0.000 0.286 601 G C -2.053 172.456 174.900 -0.650 0.000 1.269 601 G CA -0.872 43.779 45.100 -0.748 0.000 0.873 601 G HN 0.816 nan 8.290 nan 0.000 0.494 602 R N -0.078 120.290 120.500 -0.219 0.000 2.500 602 R HA 0.566 4.896 4.340 -0.018 0.000 0.299 602 R C -0.829 175.519 176.300 0.080 0.000 1.038 602 R CA -0.662 55.389 56.100 -0.082 0.000 0.903 602 R CB 0.630 30.898 30.300 -0.054 0.000 1.177 602 R HN 0.278 nan 8.270 nan 0.000 0.455 603 F N 1.447 121.526 119.950 0.215 0.000 2.539 603 F HA 0.053 4.570 4.527 -0.018 0.000 0.340 603 F C 1.674 177.529 175.800 0.091 0.000 1.185 603 F CA 0.249 58.312 58.000 0.105 0.000 1.333 603 F CB 0.508 39.479 39.000 -0.047 0.000 1.152 603 F HN 0.474 nan 8.300 nan 0.000 0.602 604 T N -2.942 111.808 114.554 0.327 0.000 2.852 604 T HA 0.321 4.661 4.350 -0.018 0.000 0.281 604 T C 0.884 175.687 174.700 0.172 0.000 0.993 604 T CA 0.001 62.215 62.100 0.190 0.000 0.933 604 T CB 0.986 69.933 68.868 0.132 0.000 1.187 604 T HN 0.645 nan 8.240 nan 0.000 0.559 605 T N -1.944 112.671 114.554 0.102 0.000 3.235 605 T HA 0.230 4.569 4.350 -0.018 0.000 0.251 605 T C 0.847 175.567 174.700 0.032 0.000 1.060 605 T CA -0.272 61.869 62.100 0.068 0.000 0.949 605 T CB -0.556 68.334 68.868 0.038 0.000 1.020 605 T HN 0.605 nan 8.240 nan 0.000 0.564 606 S N 0.651 116.373 115.700 0.038 0.000 2.552 606 S HA 0.214 4.674 4.470 -0.018 0.000 0.289 606 S C 1.187 175.758 174.600 -0.049 0.000 1.304 606 S CA -0.589 57.610 58.200 -0.001 0.000 1.063 606 S CB 0.029 63.235 63.200 0.011 0.000 0.848 606 S HN 0.519 nan 8.310 nan 0.000 0.499 607 L N 3.612 124.795 121.223 -0.067 0.000 2.313 607 L HA 0.138 4.468 4.340 -0.018 0.000 0.214 607 L C 1.461 178.257 176.870 -0.123 0.000 1.119 607 L CA 0.432 55.212 54.840 -0.101 0.000 0.809 607 L CB -0.587 41.421 42.059 -0.084 0.000 0.933 607 L HN 0.718 nan 8.230 nan 0.000 0.449 608 A N -0.092 122.666 122.820 -0.103 0.000 2.287 608 A HA 0.471 4.780 4.320 -0.018 0.000 0.273 608 A C -2.237 175.266 177.584 -0.134 0.000 1.091 608 A CA -1.280 50.691 52.037 -0.110 0.000 0.817 608 A CB -0.298 18.653 19.000 -0.082 0.000 1.069 608 A HN -0.087 nan 8.150 nan 0.000 0.492 609 P HA 0.162 nan 4.420 nan 0.000 0.266 609 P C -0.970 176.279 177.300 -0.086 0.000 1.195 609 P CA 0.398 63.415 63.100 -0.138 0.000 0.768 609 P CB 0.313 31.948 31.700 -0.109 0.000 0.838 610 Q N 2.175 121.927 119.800 -0.081 0.000 2.310 610 Q HA 0.385 4.715 4.340 -0.018 0.000 0.270 610 Q C -0.368 175.672 176.000 0.065 0.000 1.025 610 Q CA -0.675 55.138 55.803 0.016 0.000 0.772 610 Q CB 2.314 31.078 28.738 0.044 0.000 1.253 610 Q HN 0.322 nan 8.270 nan 0.000 0.450 611 R N 0.945 121.507 120.500 0.104 0.000 2.357 611 R HA 0.618 4.948 4.340 -0.018 0.000 0.296 611 R C -0.621 175.793 176.300 0.190 0.000 1.052 611 R CA -0.294 55.873 56.100 0.111 0.000 0.988 611 R CB 0.967 31.308 30.300 0.069 0.000 1.025 611 R HN 0.519 nan 8.270 nan 0.000 0.469 612 A N 3.007 125.939 122.820 0.187 0.000 2.323 612 A HA 0.424 4.734 4.320 -0.018 0.000 0.305 612 A C -0.241 177.444 177.584 0.168 0.000 1.275 612 A CA -0.746 51.434 52.037 0.239 0.000 0.804 612 A CB 0.843 19.986 19.000 0.239 0.000 1.152 612 A HN 0.556 nan 8.150 nan 0.000 0.487 613 V N 0.731 120.717 119.914 0.121 0.000 2.713 613 V HA 1.012 5.121 4.120 -0.018 0.000 0.307 613 V C -0.608 175.537 176.094 0.086 0.000 1.052 613 V CA -0.911 61.361 62.300 -0.047 0.000 0.967 613 V CB 0.937 32.733 31.823 -0.044 0.000 1.019 613 V HN 1.082 nan 8.190 nan 0.000 0.459 614 F N 0.356 120.349 119.950 0.072 0.000 2.645 614 F HA 0.920 5.436 4.527 -0.018 0.000 0.310 614 F C -3.056 172.773 175.800 0.048 0.000 1.102 614 F CA -3.013 55.020 58.000 0.056 0.000 0.952 614 F CB 0.614 39.647 39.000 0.056 0.000 1.326 614 F HN 0.325 nan 8.300 nan 0.000 0.456 615 P HA 0.200 nan 4.420 nan 0.000 0.261 615 P C -0.296 177.146 177.300 0.236 0.000 1.183 615 P CA 0.147 63.353 63.100 0.176 0.000 0.761 615 P CB 0.346 32.128 31.700 0.137 0.000 0.785 616 A N 4.888 127.788 122.820 0.133 0.000 2.609 616 A HA 0.219 4.528 4.320 -0.018 0.000 0.232 616 A C 0.692 178.376 177.584 0.167 0.000 1.041 616 A CA 0.585 52.702 52.037 0.135 0.000 0.753 616 A CB -0.278 18.762 19.000 0.067 0.000 0.966 616 A HN 0.723 nan 8.150 nan 0.000 0.510 617 R N 1.068 121.684 120.500 0.193 0.000 2.690 617 R HA 0.484 4.814 4.340 -0.018 0.000 0.269 617 R C -2.025 174.361 176.300 0.144 0.000 1.037 617 R CA -0.962 55.229 56.100 0.153 0.000 0.877 617 R CB 0.676 31.066 30.300 0.151 0.000 1.255 617 R HN 0.451 nan 8.270 nan 0.000 0.467 618 D N 0.252 120.710 120.400 0.096 0.000 2.329 618 D HA 0.714 5.343 4.640 -0.018 0.000 0.246 618 D C -0.665 175.685 176.300 0.084 0.000 1.111 618 D CA 0.343 54.392 54.000 0.082 0.000 0.941 618 D CB 1.665 42.490 40.800 0.042 0.000 1.169 618 D HN 0.790 nan 8.370 nan 0.000 0.441 619 A N 1.133 124.003 122.820 0.084 0.000 2.580 619 A HA 0.357 4.667 4.320 -0.018 0.000 0.301 619 A C 0.096 177.712 177.584 0.053 0.000 1.054 619 A CA -0.672 51.413 52.037 0.080 0.000 0.751 619 A CB 1.118 20.195 19.000 0.128 0.000 1.275 619 A HN 0.499 nan 8.150 nan 0.000 0.403 620 R N -0.056 120.441 120.500 -0.005 0.000 2.254 620 R HA 0.285 4.615 4.340 -0.018 0.000 0.193 620 R C -0.732 175.318 176.300 -0.418 0.000 0.929 620 R CA 0.832 56.809 56.100 -0.205 0.000 1.038 620 R CB 0.198 30.307 30.300 -0.319 0.000 1.009 620 R HN 0.721 nan 8.270 nan 0.000 0.512 621 Y N -0.480 119.837 120.300 0.029 0.000 2.536 621 Y HA 0.492 5.032 4.550 -0.018 0.000 0.347 621 Y C -0.464 175.575 175.900 0.232 0.000 1.000 621 Y CA -1.082 57.089 58.100 0.117 0.000 1.051 621 Y CB 2.005 40.511 38.460 0.076 0.000 1.259 621 Y HN -0.143 nan 8.280 nan 0.000 0.468 622 I N 2.231 123.083 120.570 0.470 0.000 2.647 622 I HA 0.580 4.739 4.170 -0.018 0.000 0.295 622 I C -1.317 175.044 176.117 0.407 0.000 1.078 622 I CA -0.964 60.597 61.300 0.436 0.000 1.048 622 I CB 1.907 40.090 38.000 0.305 0.000 1.239 622 I HN 0.750 nan 8.210 nan 0.000 0.421 623 R N 6.783 127.483 120.500 0.334 0.000 2.513 623 R HA 0.544 4.873 4.340 -0.018 0.000 0.301 623 R C -2.133 174.264 176.300 0.161 0.000 0.968 623 R CA -0.713 55.443 56.100 0.094 0.000 0.872 623 R CB 1.815 31.912 30.300 -0.340 0.000 1.177 623 R HN 0.582 nan 8.270 nan 0.000 0.444 624 L N 5.213 126.517 121.223 0.135 0.000 2.282 624 L HA 0.449 4.778 4.340 -0.018 0.000 0.288 624 L C -1.388 175.603 176.870 0.202 0.000 1.033 624 L CA -0.377 54.590 54.840 0.211 0.000 0.807 624 L CB 1.857 44.060 42.059 0.239 0.000 1.209 624 L HN 0.411 nan 8.230 nan 0.000 0.423 625 V N 5.398 125.464 119.914 0.253 0.000 2.370 625 V HA 0.700 4.809 4.120 -0.018 0.000 0.283 625 V C 0.303 176.567 176.094 0.282 0.000 1.023 625 V CA -0.460 61.978 62.300 0.230 0.000 0.857 625 V CB 1.231 33.182 31.823 0.213 0.000 0.985 625 V HN 0.957 nan 8.190 nan 0.000 0.443 626 A N 5.460 128.479 122.820 0.332 0.000 2.260 626 A HA 0.640 4.950 4.320 -0.018 0.000 0.312 626 A C 0.672 178.489 177.584 0.389 0.000 1.321 626 A CA -0.352 51.921 52.037 0.394 0.000 0.928 626 A CB 0.319 19.630 19.000 0.518 0.000 1.158 626 A HN 0.897 nan 8.150 nan 0.000 0.542 627 L N 2.036 123.399 121.223 0.233 0.000 2.270 627 L HA 0.092 4.421 4.340 -0.018 0.000 0.210 627 L C 1.124 178.015 176.870 0.035 0.000 1.104 627 L CA 1.100 56.026 54.840 0.143 0.000 0.804 627 L CB -0.142 41.933 42.059 0.027 0.000 0.937 627 L HN 0.821 nan 8.230 nan 0.000 0.450 628 S N -2.277 113.322 115.700 -0.169 0.000 2.588 628 S HA 0.394 4.853 4.470 -0.018 0.000 0.269 628 S C -1.076 173.075 174.600 -0.748 0.000 1.157 628 S CA -0.967 56.856 58.200 -0.629 0.000 0.824 628 S CB 2.583 65.595 63.200 -0.313 0.000 1.126 628 S HN -0.018 nan 8.310 nan 0.000 0.464 629 E N 0.325 119.994 120.200 -0.885 0.000 2.214 629 E HA 0.280 4.619 4.350 -0.018 0.000 0.274 629 E C 0.633 177.141 176.600 -0.153 0.000 0.977 629 E CA -0.567 55.605 56.400 -0.380 0.000 0.827 629 E CB 1.372 30.926 29.700 -0.243 0.000 1.130 629 E HN 0.688 nan 8.360 nan 0.000 0.394 630 Q N 0.875 120.664 119.800 -0.019 0.000 2.133 630 Q HA -0.160 4.170 4.340 -0.018 0.000 0.208 630 Q C 1.296 177.298 176.000 0.004 0.000 0.991 630 Q CA 2.338 58.148 55.803 0.011 0.000 0.867 630 Q CB -0.280 28.489 28.738 0.052 0.000 0.911 630 Q HN 0.618 nan 8.270 nan 0.000 0.417 631 T N -4.491 110.096 114.554 0.055 0.000 3.296 631 T HA 0.501 4.840 4.350 -0.018 0.000 0.285 631 T C 0.823 175.439 174.700 -0.140 0.000 1.014 631 T CA 0.268 62.382 62.100 0.024 0.000 0.920 631 T CB 0.664 69.612 68.868 0.134 0.000 1.143 631 T HN 0.399 nan 8.240 nan 0.000 0.522 632 G N 1.403 110.105 108.800 -0.163 0.000 2.147 632 G HA2 -0.234 3.715 3.960 -0.018 0.000 0.244 632 G HA3 -0.234 3.715 3.960 -0.018 0.000 0.244 632 G C -0.138 174.582 174.900 -0.301 0.000 1.005 632 G CA 0.055 45.010 45.100 -0.243 0.000 0.713 632 G HN 0.774 nan 8.290 nan 0.000 0.515 633 H N -0.968 118.058 119.070 -0.074 0.000 2.597 633 H HA 0.499 5.044 4.556 -0.018 0.000 0.370 633 H C 1.488 176.814 175.328 -0.002 0.000 1.281 633 H CA 0.558 56.575 56.048 -0.052 0.000 1.422 633 H CB 0.793 30.536 29.762 -0.032 0.000 1.524 633 H HN 0.136 nan 8.280 nan 0.000 0.607 634 K N 0.229 120.581 120.400 -0.080 0.000 2.155 634 K HA -0.037 4.272 4.320 -0.018 0.000 0.203 634 K C -0.477 176.090 176.600 -0.056 0.000 1.052 634 K CA 0.929 57.083 56.287 -0.221 0.000 0.948 634 K CB 0.274 32.334 32.500 -0.734 0.000 0.728 634 K HN 0.394 nan 8.250 nan 0.000 0.448 635 Y N -0.249 120.234 120.300 0.306 0.000 2.496 635 Y HA 0.559 5.098 4.550 -0.018 0.000 0.331 635 Y C -0.122 175.701 175.900 -0.128 0.000 1.140 635 Y CA -1.715 56.370 58.100 -0.025 0.000 1.166 635 Y CB 1.536 39.976 38.460 -0.032 0.000 1.249 635 Y HN -0.097 nan 8.280 nan 0.000 0.479 636 A N 1.075 123.628 122.820 -0.445 0.000 2.331 636 A HA 0.908 5.218 4.320 -0.018 0.000 0.320 636 A C -1.011 176.123 177.584 -0.750 0.000 1.138 636 A CA -0.478 51.292 52.037 -0.446 0.000 0.790 636 A CB 0.486 19.157 19.000 -0.548 0.000 1.206 636 A HN 0.892 nan 8.150 nan 0.000 0.470 637 A N 1.759 124.294 122.820 -0.475 0.000 2.393 637 A HA 0.736 5.045 4.320 -0.018 0.000 0.306 637 A C -1.127 176.403 177.584 -0.091 0.000 1.050 637 A CA -0.480 51.304 52.037 -0.423 0.000 0.724 637 A CB 1.504 20.173 19.000 -0.551 0.000 1.248 637 A HN 1.274 nan 8.150 nan 0.000 0.424 638 V N 1.866 121.852 119.914 0.120 0.000 2.577 638 V HA 0.542 4.651 4.120 -0.018 0.000 0.303 638 V C 0.958 177.197 176.094 0.241 0.000 1.042 638 V CA 0.139 62.580 62.300 0.234 0.000 0.872 638 V CB 1.298 33.422 31.823 0.502 0.000 0.998 638 V HN 1.259 nan 8.190 nan 0.000 0.423 639 A N 3.363 126.234 122.820 0.085 0.000 1.898 639 A HA 0.235 4.545 4.320 -0.018 0.000 0.214 639 A C 0.718 178.348 177.584 0.077 0.000 1.183 639 A CA 1.066 53.176 52.037 0.123 0.000 0.622 639 A CB 0.122 19.140 19.000 0.029 0.000 0.824 639 A HN 0.688 nan 8.150 nan 0.000 0.444 640 E N -1.055 119.146 120.200 0.001 0.000 2.335 640 E HA 0.564 4.903 4.350 -0.018 0.000 0.280 640 E C -1.807 174.793 176.600 -0.001 0.000 0.918 640 E CA -0.251 56.149 56.400 0.000 0.000 0.765 640 E CB 1.649 31.328 29.700 -0.035 0.000 1.218 640 E HN 0.264 nan 8.360 nan 0.000 0.425 641 L N 1.993 123.242 121.223 0.044 0.000 2.362 641 L HA 0.483 4.812 4.340 -0.018 0.000 0.275 641 L C -0.042 176.853 176.870 0.041 0.000 0.998 641 L CA -0.639 54.239 54.840 0.064 0.000 0.820 641 L CB 1.666 43.789 42.059 0.108 0.000 1.270 641 L HN 0.272 nan 8.230 nan 0.000 0.415 642 E N 2.567 122.788 120.200 0.035 0.000 2.312 642 E HA 0.560 4.899 4.350 -0.018 0.000 0.267 642 E C -1.347 175.277 176.600 0.039 0.000 0.894 642 E CA -0.711 55.703 56.400 0.023 0.000 0.773 642 E CB 3.471 33.173 29.700 0.004 0.000 1.241 642 E HN 0.153 nan 8.360 nan 0.000 0.432 643 V N 1.836 121.766 119.914 0.027 0.000 2.487 643 V HA 0.197 4.307 4.120 -0.018 0.000 0.298 643 V C -0.142 175.953 176.094 0.002 0.000 1.028 643 V CA -0.798 61.526 62.300 0.040 0.000 0.860 643 V CB 1.591 33.447 31.823 0.056 0.000 0.991 643 V HN 0.531 nan 8.190 nan 0.000 0.427 644 E N 3.328 123.519 120.200 -0.016 0.000 2.217 644 E HA 0.571 4.910 4.350 -0.018 0.000 0.279 644 E C 0.371 176.943 176.600 -0.046 0.000 1.068 644 E CA 0.045 56.417 56.400 -0.045 0.000 0.882 644 E CB 1.352 31.000 29.700 -0.087 0.000 1.039 644 E HN 0.916 nan 8.360 nan 0.000 0.418 645 G N 2.310 111.092 108.800 -0.030 0.000 2.506 645 G HA2 0.136 4.085 3.960 -0.018 0.000 0.292 645 G HA3 0.136 4.085 3.960 -0.018 0.000 0.292 645 G C -1.617 173.281 174.900 -0.004 0.000 1.425 645 G CA -0.829 44.263 45.100 -0.013 0.000 0.788 645 G HN 0.434 nan 8.290 nan 0.000 0.490 646 Q N 0.465 120.292 119.800 0.044 0.000 2.296 646 Q HA 0.458 4.788 4.340 -0.018 0.000 0.257 646 Q C 0.504 176.595 176.000 0.152 0.000 0.942 646 Q CA -0.457 55.390 55.803 0.073 0.000 0.939 646 Q CB 0.814 29.597 28.738 0.076 0.000 1.198 646 Q HN 0.492 nan 8.270 nan 0.000 0.429 647 R N 0.000 120.558 120.500 0.096 0.000 2.786 647 R HA 0.000 4.329 4.340 -0.018 0.000 0.208 647 R CA 0.000 56.186 56.100 0.144 0.000 0.921 647 R CB 0.000 30.336 30.300 0.060 0.000 0.687 647 R HN 0.000 nan 8.270 nan 0.000 0.535