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 1upp_1_C DATA FIRST_RESID 9 DATA SEQUENCE ASVEFKAGVK DYKLTYYTPE YETLDTDILA AFRVSPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTNLD RYKGRCYHIE PVAGEENQYI CYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPVAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTXDDENVNS DATA SEQUENCE QPFMRWRDRF LFCAEALYKA QAETGEIKGH YLNATAGTCE DMMKRAVFAR DATA SEQUENCE ELGVPIVMHD YLTGGFTANT TLSHYCRDNG LLLHIHRAMH AVIDRQKNHG DATA SEQUENCE MHFRVLAKAL RLSGGDHIHS GTVVGKLEGE RDITLGFVDL LRDDYTEKDR DATA SEQUENCE SRGIYFTQSW VSTPGVLPVA SGGIHVWHMP ALTEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAV ANRVALEACV QARNEGRDLA REGNTIIREA TKWSPELAAA DATA SEQUENCE CEVWKEIKFE FPAMDTV 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.592 177.584 0.013 0.000 1.274 9 A CA 0.000 52.041 52.037 0.006 0.000 0.836 9 A CB 0.000 19.000 19.000 0.000 0.000 0.831 10 S N 0.043 115.754 115.700 0.018 0.000 2.548 10 S HA 0.906 5.376 4.470 0.000 0.000 0.286 10 S C -0.380 174.239 174.600 0.031 0.000 1.098 10 S CA -0.785 57.432 58.200 0.028 0.000 0.930 10 S CB 2.184 65.404 63.200 0.033 0.000 1.070 10 S HN 1.414 nan 8.310 nan 0.000 0.480 11 V N 0.128 120.068 119.914 0.044 0.000 2.876 11 V HA 0.510 4.631 4.120 0.000 0.000 0.312 11 V C -0.171 175.967 176.094 0.074 0.000 1.085 11 V CA -1.270 61.058 62.300 0.046 0.000 0.945 11 V CB 1.356 33.202 31.823 0.038 0.000 1.017 11 V HN 0.981 nan 8.190 nan 0.000 0.428 12 E N 1.830 122.069 120.200 0.066 0.000 2.438 12 E HA 0.112 4.462 4.350 0.000 0.000 0.261 12 E C -0.927 175.764 176.600 0.152 0.000 1.103 12 E CA -0.096 56.357 56.400 0.089 0.000 0.959 12 E CB 0.580 30.306 29.700 0.044 0.000 0.958 12 E HN 0.583 nan 8.360 nan 0.000 0.447 13 F N 2.267 122.234 119.950 0.029 0.000 2.421 13 F HA 0.209 4.737 4.527 0.000 0.000 0.358 13 F C -0.127 175.690 175.800 0.028 0.000 1.115 13 F CA -0.757 57.272 58.000 0.048 0.000 1.160 13 F CB 0.511 39.566 39.000 0.091 0.000 1.123 13 F HN 0.159 nan 8.300 nan 0.000 0.508 14 K N 6.362 126.546 120.400 -0.361 0.000 2.404 14 K HA 0.687 5.007 4.320 0.000 0.000 0.257 14 K C -0.459 175.769 176.600 -0.619 0.000 1.026 14 K CA -0.618 55.384 56.287 -0.475 0.000 0.951 14 K CB 0.633 33.019 32.500 -0.190 0.000 1.203 14 K HN 0.793 nan 8.250 nan 0.000 0.446 15 A N 2.965 125.230 122.820 -0.924 0.000 2.448 15 A HA 0.584 4.905 4.320 0.000 0.000 0.239 15 A C 0.623 178.080 177.584 -0.212 0.000 1.080 15 A CA 0.796 52.531 52.037 -0.503 0.000 0.779 15 A CB -0.155 18.642 19.000 -0.339 0.000 1.026 15 A HN 1.095 nan 8.150 nan 0.000 0.499 16 G N -1.831 106.898 108.800 -0.120 0.000 2.423 16 G HA2 0.381 4.341 3.960 0.000 0.000 0.684 16 G HA3 0.381 4.341 3.960 0.000 0.000 0.684 16 G C -0.473 174.376 174.900 -0.086 0.000 1.309 16 G CA -0.135 44.915 45.100 -0.084 0.000 0.950 16 G HN 2.235 nan 8.290 nan 0.000 0.587 17 V N -0.153 119.739 119.914 -0.036 0.000 2.617 17 V HA 0.917 5.037 4.120 0.000 0.000 0.298 17 V C 0.244 176.316 176.094 -0.036 0.000 1.048 17 V CA -0.085 62.195 62.300 -0.034 0.000 0.964 17 V CB 1.352 33.221 31.823 0.077 0.000 1.004 17 V HN 1.006 nan 8.190 nan 0.000 0.466 18 K N 2.982 123.343 120.400 -0.065 0.000 2.349 18 K HA 0.529 4.849 4.320 0.000 0.000 0.243 18 K C -1.185 175.366 176.600 -0.083 0.000 1.058 18 K CA -0.942 55.314 56.287 -0.052 0.000 0.871 18 K CB 1.036 33.514 32.500 -0.037 0.000 1.337 18 K HN 0.722 nan 8.250 nan 0.000 0.469 19 D N 0.718 121.098 120.400 -0.033 0.000 2.382 19 D HA 0.023 4.663 4.640 0.000 0.000 0.245 19 D C 0.636 176.957 176.300 0.034 0.000 1.120 19 D CA 0.357 54.353 54.000 -0.007 0.000 0.890 19 D CB 0.410 41.236 40.800 0.043 0.000 1.201 19 D HN 0.411 nan 8.370 nan 0.000 0.433 20 Y N 1.266 121.630 120.300 0.107 0.000 2.242 20 Y HA -0.188 4.362 4.550 0.000 0.000 0.291 20 Y C 2.313 178.327 175.900 0.190 0.000 1.137 20 Y CA 1.127 59.327 58.100 0.166 0.000 1.181 20 Y CB -0.275 38.230 38.460 0.074 0.000 0.989 20 Y HN 0.457 nan 8.280 nan 0.000 0.527 21 K N 0.508 121.070 120.400 0.270 0.000 2.280 21 K HA -0.148 4.172 4.320 0.000 0.000 0.202 21 K C 1.585 178.304 176.600 0.197 0.000 1.047 21 K CA 1.630 58.056 56.287 0.232 0.000 0.942 21 K CB -0.783 31.798 32.500 0.135 0.000 0.739 21 K HN 0.338 nan 8.250 nan 0.000 0.457 22 L N 1.163 122.466 121.223 0.134 0.000 2.261 22 L HA -0.117 4.223 4.340 0.000 0.000 0.216 22 L C 1.554 178.435 176.870 0.018 0.000 1.114 22 L CA 1.361 56.244 54.840 0.071 0.000 0.777 22 L CB -0.450 41.636 42.059 0.045 0.000 0.910 22 L HN 0.356 nan 8.230 nan 0.000 0.440 23 T N -3.482 111.070 114.554 -0.003 0.000 2.989 23 T HA 0.073 4.423 4.350 0.000 0.000 0.250 23 T C 0.992 175.460 174.700 -0.386 0.000 0.981 23 T CA 0.108 62.049 62.100 -0.265 0.000 0.980 23 T CB 0.177 68.772 68.868 -0.456 0.000 1.133 23 T HN 0.099 nan 8.240 nan 0.000 0.489 24 Y N -0.184 120.160 120.300 0.073 0.000 2.444 24 Y HA 0.425 4.975 4.550 0.000 0.000 0.249 24 Y C 0.081 176.028 175.900 0.078 0.000 1.134 24 Y CA -1.225 56.899 58.100 0.041 0.000 1.261 24 Y CB 0.444 38.925 38.460 0.035 0.000 1.143 24 Y HN 0.191 nan 8.280 nan 0.000 0.523 25 Y N 1.086 121.443 120.300 0.096 0.000 2.385 25 Y HA 0.508 5.058 4.550 0.000 0.000 0.341 25 Y C -0.475 175.452 175.900 0.045 0.000 0.965 25 Y CA -0.891 57.245 58.100 0.059 0.000 1.180 25 Y CB 0.964 39.448 38.460 0.039 0.000 1.139 25 Y HN -0.168 nan 8.280 nan 0.000 0.502 26 T N 9.751 124.044 114.554 -0.435 0.000 3.198 26 T HA 0.194 4.544 4.350 0.000 0.000 0.352 26 T C -2.193 172.346 174.700 -0.268 0.000 1.197 26 T CA -0.870 61.043 62.100 -0.311 0.000 1.427 26 T CB 0.976 69.761 68.868 -0.138 0.000 0.983 26 T HN 0.481 nan 8.240 nan 0.000 0.560 27 P HA 0.032 nan 4.420 nan 0.000 0.229 27 P C 0.830 178.143 177.300 0.022 0.000 1.160 27 P CA 0.758 63.720 63.100 -0.230 0.000 0.777 27 P CB 0.552 32.088 31.700 -0.273 0.000 0.814 28 E N -1.566 118.641 120.200 0.012 0.000 2.476 28 E HA 0.002 4.352 4.350 0.000 0.000 0.199 28 E C 0.396 177.036 176.600 0.067 0.000 1.021 28 E CA -0.574 55.848 56.400 0.037 0.000 0.907 28 E CB -0.555 29.150 29.700 0.008 0.000 0.974 28 E HN 0.297 nan 8.360 nan 0.000 0.489 29 Y N 3.178 123.460 120.300 -0.029 0.000 2.717 29 Y HA -0.086 4.464 4.550 0.000 0.000 0.330 29 Y C 0.042 175.881 175.900 -0.102 0.000 1.217 29 Y CA 0.059 58.124 58.100 -0.058 0.000 1.506 29 Y CB 0.364 38.793 38.460 -0.051 0.000 1.268 29 Y HN -0.149 nan 8.280 nan 0.000 0.561 30 E N 4.236 124.016 120.200 -0.699 0.000 2.081 30 E HA 0.180 4.530 4.350 0.000 0.000 0.281 30 E C -0.148 175.787 176.600 -1.109 0.000 0.986 30 E CA -0.617 55.382 56.400 -0.669 0.000 0.796 30 E CB 0.453 29.928 29.700 -0.376 0.000 1.085 30 E HN 0.689 nan 8.360 nan 0.000 0.398 31 T N 1.206 115.241 114.554 -0.865 0.000 2.933 31 T HA 0.046 4.396 4.350 0.000 0.000 0.306 31 T C 0.320 174.789 174.700 -0.385 0.000 1.045 31 T CA -0.314 61.416 62.100 -0.617 0.000 1.143 31 T CB 0.222 68.859 68.868 -0.385 0.000 1.003 31 T HN 0.233 nan 8.240 nan 0.000 0.540 32 L N 2.724 123.813 121.223 -0.224 0.000 2.418 32 L HA 0.315 4.655 4.340 0.000 0.000 0.265 32 L C 1.554 178.373 176.870 -0.085 0.000 1.143 32 L CA -0.679 54.087 54.840 -0.123 0.000 0.809 32 L CB 0.399 42.430 42.059 -0.047 0.000 1.124 32 L HN 0.630 nan 8.230 nan 0.000 0.456 33 D N -0.194 120.165 120.400 -0.068 0.000 2.310 33 D HA -0.110 4.531 4.640 0.000 0.000 0.212 33 D C 1.758 178.035 176.300 -0.039 0.000 0.965 33 D CA 1.436 55.405 54.000 -0.052 0.000 0.879 33 D CB 0.132 40.907 40.800 -0.041 0.000 0.921 33 D HN 0.786 nan 8.370 nan 0.000 0.510 34 T N -2.448 112.091 114.554 -0.024 0.000 3.081 34 T HA 0.021 4.371 4.350 0.000 0.000 0.250 34 T C 0.643 175.338 174.700 -0.009 0.000 1.100 34 T CA -0.434 61.660 62.100 -0.011 0.000 1.038 34 T CB 0.379 69.254 68.868 0.012 0.000 0.962 34 T HN -0.206 nan 8.240 nan 0.000 0.516 35 D N 1.603 122.004 120.400 0.002 0.000 2.382 35 D HA 0.323 4.963 4.640 0.000 0.000 0.240 35 D C -0.220 176.063 176.300 -0.028 0.000 1.146 35 D CA -0.329 53.695 54.000 0.040 0.000 0.897 35 D CB 0.584 41.426 40.800 0.070 0.000 1.197 35 D HN 0.159 nan 8.370 nan 0.000 0.432 36 I N 1.469 122.045 120.570 0.009 0.000 2.353 36 I HA 0.205 4.375 4.170 0.000 0.000 0.293 36 I C -0.043 176.118 176.117 0.072 0.000 0.992 36 I CA -0.294 60.947 61.300 -0.098 0.000 1.268 36 I CB 0.860 38.650 38.000 -0.350 0.000 1.387 36 I HN 0.059 nan 8.210 nan 0.000 0.478 37 L N 5.948 127.078 121.223 -0.156 0.000 2.313 37 L HA 0.797 5.138 4.340 0.000 0.000 0.283 37 L C 0.041 176.835 176.870 -0.127 0.000 1.013 37 L CA -0.708 54.029 54.840 -0.170 0.000 0.816 37 L CB 1.438 43.098 42.059 -0.665 0.000 1.236 37 L HN 0.693 nan 8.230 nan 0.000 0.419 38 A N 2.746 125.698 122.820 0.221 0.000 2.325 38 A HA 0.853 5.173 4.320 0.000 0.000 0.333 38 A C -0.226 177.425 177.584 0.112 0.000 1.155 38 A CA -0.505 51.583 52.037 0.085 0.000 0.814 38 A CB 1.453 20.428 19.000 -0.042 0.000 1.206 38 A HN 0.756 nan 8.150 nan 0.000 0.482 39 A N 1.775 124.518 122.820 -0.128 0.000 2.273 39 A HA 0.669 4.989 4.320 0.000 0.000 0.320 39 A C -1.066 176.141 177.584 -0.628 0.000 1.358 39 A CA -0.301 51.431 52.037 -0.509 0.000 0.910 39 A CB -0.362 18.120 19.000 -0.862 0.000 1.159 39 A HN 0.581 nan 8.150 nan 0.000 0.526 40 F N 1.417 121.205 119.950 -0.271 0.000 2.415 40 F HA 0.424 4.951 4.527 0.000 0.000 0.348 40 F C 1.038 176.712 175.800 -0.209 0.000 1.119 40 F CA -0.388 57.483 58.000 -0.215 0.000 1.069 40 F CB 1.458 40.348 39.000 -0.184 0.000 1.124 40 F HN 0.576 nan 8.300 nan 0.000 0.472 41 R N 3.455 123.957 120.500 0.004 0.000 2.291 41 R HA 0.440 4.780 4.340 0.000 0.000 0.333 41 R C -1.387 174.915 176.300 0.003 0.000 1.082 41 R CA -0.081 56.023 56.100 0.007 0.000 0.948 41 R CB 0.105 30.410 30.300 0.008 0.000 1.009 41 R HN 0.522 nan 8.270 nan 0.000 0.460 42 V N 2.928 122.852 119.914 0.017 0.000 2.555 42 V HA 0.324 4.444 4.120 0.000 0.000 0.302 42 V C -0.287 175.823 176.094 0.027 0.000 1.038 42 V CA -0.665 61.623 62.300 -0.020 0.000 0.887 42 V CB 2.152 33.956 31.823 -0.032 0.000 0.991 42 V HN 0.693 nan 8.190 nan 0.000 0.434 43 S N 5.439 121.143 115.700 0.006 0.000 2.542 43 S HA 0.440 4.911 4.470 0.000 0.000 0.245 43 S C -2.671 171.949 174.600 0.033 0.000 1.325 43 S CA -0.973 57.242 58.200 0.025 0.000 1.176 43 S CB 1.332 64.542 63.200 0.017 0.000 1.045 43 S HN 0.610 nan 8.310 nan 0.000 0.481 44 P HA 0.113 nan 4.420 nan 0.000 0.272 44 P C -0.255 177.071 177.300 0.044 0.000 1.223 44 P CA -0.447 62.681 63.100 0.047 0.000 0.784 44 P CB 0.489 32.229 31.700 0.066 0.000 0.923 45 Q N 1.419 121.240 119.800 0.036 0.000 2.454 45 Q HA 0.173 4.513 4.340 0.000 0.000 0.247 45 Q C -1.965 174.055 176.000 0.034 0.000 1.028 45 Q CA -1.481 54.342 55.803 0.033 0.000 0.910 45 Q CB -1.046 27.712 28.738 0.032 0.000 1.276 45 Q HN 0.341 nan 8.270 nan 0.000 0.489 46 P HA -0.090 nan 4.420 nan 0.000 0.261 46 P C 0.470 177.785 177.300 0.024 0.000 1.165 46 P CA 1.640 64.755 63.100 0.026 0.000 0.759 46 P CB 0.167 31.878 31.700 0.019 0.000 0.772 47 G N 1.211 110.025 108.800 0.023 0.000 2.218 47 G HA2 -0.177 3.783 3.960 0.000 0.000 0.216 47 G HA3 -0.177 3.783 3.960 0.000 0.000 0.216 47 G C -0.137 174.772 174.900 0.015 0.000 0.994 47 G CA -0.224 44.887 45.100 0.018 0.000 0.637 47 G HN 0.524 nan 8.290 nan 0.000 0.505 48 V N 3.058 122.981 119.914 0.016 0.000 2.347 48 V HA 0.521 4.641 4.120 0.000 0.000 0.280 48 V C -1.760 174.320 176.094 -0.023 0.000 1.021 48 V CA -1.673 60.630 62.300 0.005 0.000 0.847 48 V CB 1.467 33.299 31.823 0.016 0.000 0.990 48 V HN 0.176 nan 8.190 nan 0.000 0.444 49 P HA 0.202 nan 4.420 nan 0.000 0.268 49 P C -2.104 175.076 177.300 -0.200 0.000 1.205 49 P CA -1.511 61.517 63.100 -0.119 0.000 0.771 49 P CB 0.274 31.902 31.700 -0.120 0.000 0.858 50 P HA -0.193 nan 4.420 nan 0.000 0.216 50 P C 1.159 178.186 177.300 -0.455 0.000 1.150 50 P CA 1.504 64.272 63.100 -0.552 0.000 0.843 50 P CB 0.074 30.987 31.700 -1.312 0.000 0.787 51 E N -0.387 119.518 120.200 -0.492 0.000 2.085 51 E HA -0.218 4.132 4.350 0.000 0.000 0.194 51 E C 2.072 178.449 176.600 -0.371 0.000 0.994 51 E CA 1.409 57.426 56.400 -0.639 0.000 0.801 51 E CB -0.619 28.687 29.700 -0.656 0.000 0.743 51 E HN 0.289 nan 8.360 nan 0.000 0.453 52 E N 0.106 120.177 120.200 -0.214 0.000 2.086 52 E HA 0.039 4.389 4.350 0.000 0.000 0.190 52 E C 1.858 178.403 176.600 -0.092 0.000 0.975 52 E CA 1.134 57.490 56.400 -0.074 0.000 0.813 52 E CB -0.380 29.310 29.700 -0.017 0.000 0.768 52 E HN 0.172 nan 8.360 nan 0.000 0.457 53 A N 0.619 123.357 122.820 -0.137 0.000 1.892 53 A HA -0.130 4.190 4.320 0.000 0.000 0.218 53 A C 2.475 179.914 177.584 -0.242 0.000 1.188 53 A CA 2.163 54.094 52.037 -0.177 0.000 0.631 53 A CB -1.597 17.321 19.000 -0.137 0.000 0.822 53 A HN 0.421 nan 8.150 nan 0.000 0.447 54 G N -0.591 108.080 108.800 -0.216 0.000 2.491 54 G HA2 -0.074 3.886 3.960 0.000 0.000 0.218 54 G HA3 -0.074 3.886 3.960 0.000 0.000 0.218 54 G C 1.812 176.616 174.900 -0.159 0.000 1.180 54 G CA 1.876 46.872 45.100 -0.173 0.000 0.774 54 G HN 0.925 nan 8.290 nan 0.000 0.562 55 A N 1.137 123.897 122.820 -0.100 0.000 1.908 55 A HA 0.202 4.522 4.320 0.000 0.000 0.218 55 A C 2.854 180.249 177.584 -0.315 0.000 1.181 55 A CA 2.490 54.506 52.037 -0.036 0.000 0.627 55 A CB -0.911 18.165 19.000 0.126 0.000 0.818 55 A HN 0.922 nan 8.150 nan 0.000 0.445 56 A N -0.486 122.030 122.820 -0.506 0.000 1.873 56 A HA -0.093 4.227 4.320 0.000 0.000 0.218 56 A C 2.246 179.232 177.584 -0.996 0.000 1.193 56 A CA 2.027 53.392 52.037 -1.119 0.000 0.629 56 A CB -1.238 17.220 19.000 -0.903 0.000 0.826 56 A HN 0.465 nan 8.150 nan 0.000 0.447 57 V N -0.203 119.267 119.914 -0.740 0.000 2.250 57 V HA -0.344 3.776 4.120 0.000 0.000 0.250 57 V C 3.071 178.860 176.094 -0.508 0.000 1.060 57 V CA 2.417 64.303 62.300 -0.689 0.000 1.030 57 V CB -1.268 30.100 31.823 -0.758 0.000 0.643 57 V HN 0.675 nan 8.190 nan 0.000 0.445 58 A N -0.481 122.104 122.820 -0.392 0.000 1.873 58 A HA -0.083 4.237 4.320 0.000 0.000 0.215 58 A C 2.422 179.759 177.584 -0.413 0.000 1.186 58 A CA 2.076 53.944 52.037 -0.282 0.000 0.616 58 A CB -0.851 18.070 19.000 -0.133 0.000 0.823 58 A HN 0.613 nan 8.150 nan 0.000 0.442 59 A N -0.636 121.739 122.820 -0.741 0.000 1.908 59 A HA -0.158 4.162 4.320 0.000 0.000 0.218 59 A C 1.871 179.118 177.584 -0.561 0.000 1.181 59 A CA 1.680 53.033 52.037 -1.139 0.000 0.627 59 A CB -0.327 17.911 19.000 -1.270 0.000 0.818 59 A HN 0.496 nan 8.150 nan 0.000 0.445 60 E N -0.179 119.741 120.200 -0.467 0.000 2.474 60 E HA 0.015 4.365 4.350 0.000 0.000 0.195 60 E C 1.337 177.888 176.600 -0.081 0.000 1.039 60 E CA 0.725 56.995 56.400 -0.216 0.000 0.881 60 E CB 0.151 29.722 29.700 -0.215 0.000 0.970 60 E HN 0.726 nan 8.360 nan 0.000 0.486 61 S N -0.796 114.857 115.700 -0.078 0.000 2.540 61 S HA 0.099 4.569 4.470 0.000 0.000 0.218 61 S C 1.457 176.158 174.600 0.168 0.000 0.977 61 S CA 0.351 58.616 58.200 0.108 0.000 0.918 61 S CB 0.348 63.712 63.200 0.272 0.000 0.806 61 S HN 0.143 nan 8.310 nan 0.000 0.496 62 S N 1.630 117.363 115.700 0.056 0.000 4.640 62 S HA 0.128 4.598 4.470 0.000 0.000 0.157 62 S C 1.358 175.976 174.600 0.030 0.000 0.963 62 S CA 0.591 58.843 58.200 0.088 0.000 1.235 62 S CB -0.282 62.989 63.200 0.119 0.000 1.848 62 S HN 0.445 nan 8.310 nan 0.000 0.751 63 T N -0.381 114.201 114.554 0.045 0.000 2.975 63 T HA 0.503 4.853 4.350 0.000 0.000 0.257 63 T C 0.877 175.617 174.700 0.067 0.000 1.003 63 T CA 0.368 62.513 62.100 0.076 0.000 0.932 63 T CB 0.122 69.103 68.868 0.188 0.000 1.087 63 T HN 0.751 nan 8.240 nan 0.000 0.512 64 G N 0.295 109.086 108.800 -0.015 0.000 2.462 64 G HA2 0.559 4.519 3.960 0.000 0.000 0.319 64 G HA3 0.559 4.519 3.960 0.000 0.000 0.319 64 G C -0.721 174.237 174.900 0.095 0.000 1.171 64 G CA -0.255 44.878 45.100 0.054 0.000 0.920 64 G HN 0.255 nan 8.290 nan 0.000 0.499 65 T N -1.267 113.378 114.554 0.151 0.000 2.573 65 T HA 0.419 4.769 4.350 0.000 0.000 0.259 65 T C 0.482 175.343 174.700 0.269 0.000 0.886 65 T CA -0.327 61.908 62.100 0.225 0.000 1.110 65 T CB 0.661 69.601 68.868 0.119 0.000 1.421 65 T HN 0.688 nan 8.240 nan 0.000 0.523 66 W N 0.704 122.101 121.300 0.162 0.000 3.003 66 W HA 0.363 5.023 4.660 0.000 0.000 0.257 66 W C 0.297 176.796 176.519 -0.032 0.000 1.308 66 W CA 0.210 57.605 57.345 0.083 0.000 1.529 66 W CB -1.060 28.457 29.460 0.095 0.000 1.115 66 W HN 0.526 nan 8.180 nan 0.000 0.659 67 T N 0.914 115.083 114.554 -0.642 0.000 2.864 67 T HA 0.331 4.681 4.350 0.000 0.000 0.299 67 T C -0.543 173.955 174.700 -0.336 0.000 1.166 67 T CA -0.304 61.426 62.100 -0.616 0.000 1.007 67 T CB 1.784 69.913 68.868 -1.231 0.000 1.219 67 T HN -0.224 nan 8.240 nan 0.000 0.506 68 T N 2.636 117.097 114.554 -0.156 0.000 2.799 68 T HA 0.432 4.783 4.350 0.000 0.000 0.296 68 T C 0.269 175.040 174.700 0.118 0.000 0.947 68 T CA -0.396 61.718 62.100 0.023 0.000 1.141 68 T CB -0.101 68.831 68.868 0.107 0.000 0.891 68 T HN 0.636 nan 8.240 nan 0.000 0.533 69 V N 3.583 123.506 119.914 0.016 0.000 2.483 69 V HA 0.424 4.545 4.120 0.000 0.000 0.295 69 V C 1.383 177.303 176.094 -0.291 0.000 1.035 69 V CA -1.194 61.032 62.300 -0.123 0.000 0.896 69 V CB 1.048 32.709 31.823 -0.271 0.000 0.986 69 V HN 1.023 nan 8.190 nan 0.000 0.447 70 W N 3.092 123.891 121.300 -0.835 0.000 2.342 70 W HA -0.184 4.476 4.660 0.000 0.000 0.297 70 W C 1.581 177.833 176.519 -0.446 0.000 1.213 70 W CA 2.023 58.713 57.345 -1.090 0.000 1.251 70 W CB -1.865 26.643 29.460 -1.586 0.000 1.136 70 W HN 0.769 nan 8.180 nan 0.000 0.526 71 T N -0.483 113.287 114.554 -1.308 0.000 2.869 71 T HA -0.280 4.070 4.350 0.000 0.000 0.270 71 T C 1.129 175.575 174.700 -0.423 0.000 1.082 71 T CA 1.824 63.287 62.100 -1.062 0.000 1.123 71 T CB -0.776 67.395 68.868 -1.161 0.000 0.856 71 T HN 0.023 nan 8.240 nan 0.000 0.499 72 D N 1.892 122.126 120.400 -0.276 0.000 2.228 72 D HA -0.055 4.585 4.640 0.000 0.000 0.203 72 D C 2.270 178.542 176.300 -0.046 0.000 0.988 72 D CA 1.298 55.229 54.000 -0.114 0.000 0.864 72 D CB -0.892 39.878 40.800 -0.050 0.000 0.928 72 D HN 0.639 nan 8.370 nan 0.000 0.469 73 G N 0.181 108.970 108.800 -0.018 0.000 2.509 73 G HA2 -0.122 3.838 3.960 0.000 0.000 0.218 73 G HA3 -0.122 3.838 3.960 0.000 0.000 0.218 73 G C 1.599 176.524 174.900 0.042 0.000 1.124 73 G CA -0.002 45.122 45.100 0.041 0.000 0.776 73 G HN 0.282 nan 8.290 nan 0.000 0.547 74 L N 0.462 121.696 121.223 0.018 0.000 2.418 74 L HA 0.147 4.487 4.340 0.000 0.000 0.218 74 L C 1.079 177.962 176.870 0.022 0.000 1.125 74 L CA 0.365 55.221 54.840 0.026 0.000 0.835 74 L CB -0.121 41.939 42.059 0.002 0.000 0.953 74 L HN 0.104 nan 8.230 nan 0.000 0.454 75 T N -1.829 112.738 114.554 0.022 0.000 2.841 75 T HA 0.201 4.551 4.350 0.000 0.000 0.276 75 T C -0.203 174.546 174.700 0.083 0.000 1.003 75 T CA -0.592 61.553 62.100 0.075 0.000 0.995 75 T CB 1.478 70.410 68.868 0.107 0.000 1.260 75 T HN -0.149 nan 8.240 nan 0.000 0.581 76 N N 1.522 120.294 118.700 0.119 0.000 2.678 76 N HA 0.130 4.870 4.740 0.000 0.000 0.231 76 N C 0.562 176.111 175.510 0.065 0.000 1.038 76 N CA -0.455 52.620 53.050 0.042 0.000 0.932 76 N CB 0.516 38.983 38.487 -0.033 0.000 1.176 76 N HN 0.497 nan 8.380 nan 0.000 0.511 77 L N 3.023 124.280 121.223 0.056 0.000 2.131 77 L HA -0.071 4.269 4.340 0.000 0.000 0.210 77 L C 1.291 178.158 176.870 -0.007 0.000 1.092 77 L CA 1.713 56.589 54.840 0.061 0.000 0.759 77 L CB -0.174 41.895 42.059 0.018 0.000 0.903 77 L HN 0.401 nan 8.230 nan 0.000 0.435 78 D N -0.178 120.186 120.400 -0.060 0.000 2.182 78 D HA -0.195 4.445 4.640 0.000 0.000 0.201 78 D C 2.158 178.384 176.300 -0.124 0.000 0.986 78 D CA 1.385 55.327 54.000 -0.098 0.000 0.847 78 D CB -0.085 40.663 40.800 -0.086 0.000 0.942 78 D HN 0.547 nan 8.370 nan 0.000 0.467 79 R N -0.755 119.627 120.500 -0.197 0.000 2.275 79 R HA -0.035 4.305 4.340 0.000 0.000 0.199 79 R C 0.966 177.053 176.300 -0.356 0.000 0.989 79 R CA 0.652 56.562 56.100 -0.316 0.000 1.016 79 R CB -0.240 29.784 30.300 -0.460 0.000 0.918 79 R HN 0.212 nan 8.270 nan 0.000 0.473 80 Y N 2.059 122.350 120.300 -0.016 0.000 2.498 80 Y HA 0.190 4.740 4.550 0.000 0.000 0.259 80 Y C 0.415 176.321 175.900 0.010 0.000 1.086 80 Y CA -0.642 57.455 58.100 -0.005 0.000 1.287 80 Y CB 0.352 38.806 38.460 -0.010 0.000 1.146 80 Y HN 0.017 nan 8.280 nan 0.000 0.523 81 K N 0.948 121.422 120.400 0.124 0.000 2.355 81 K HA 0.365 4.685 4.320 0.000 0.000 0.270 81 K C 0.611 177.256 176.600 0.075 0.000 1.003 81 K CA 0.046 56.428 56.287 0.157 0.000 0.957 81 K CB 0.645 33.194 32.500 0.083 0.000 0.939 81 K HN 0.116 nan 8.250 nan 0.000 0.482 82 G N 2.170 111.024 108.800 0.090 0.000 2.503 82 G HA2 0.285 4.245 3.960 0.000 0.000 0.257 82 G HA3 0.285 4.245 3.960 0.000 0.000 0.257 82 G C -0.823 174.039 174.900 -0.063 0.000 1.214 82 G CA -0.956 44.048 45.100 -0.161 0.000 0.839 82 G HN 0.626 nan 8.290 nan 0.000 0.559 83 R N 0.251 120.659 120.500 -0.153 0.000 2.502 83 R HA 0.261 4.601 4.340 0.000 0.000 0.300 83 R C -1.141 175.210 176.300 0.085 0.000 0.984 83 R CA -0.634 55.429 56.100 -0.062 0.000 0.882 83 R CB 1.841 31.956 30.300 -0.308 0.000 1.180 83 R HN 0.519 nan 8.270 nan 0.000 0.444 84 C N 5.040 124.418 119.300 0.130 0.000 2.540 84 C HA 0.180 4.640 4.460 0.000 0.000 0.377 84 C C 1.028 176.145 174.990 0.211 0.000 1.274 84 C CA -0.294 58.837 59.018 0.189 0.000 1.718 84 C CB -1.160 26.705 27.740 0.210 0.000 2.391 84 C HN 0.970 nan 8.230 nan 0.000 0.565 85 Y N 2.707 123.121 120.300 0.191 0.000 2.426 85 Y HA 0.474 5.024 4.550 0.000 0.000 0.249 85 Y C 0.688 176.731 175.900 0.238 0.000 1.103 85 Y CA -0.219 57.970 58.100 0.147 0.000 1.256 85 Y CB -0.340 38.269 38.460 0.249 0.000 1.208 85 Y HN 0.748 nan 8.280 nan 0.000 0.519 86 H N 0.718 119.617 119.070 -0.285 0.000 2.954 86 H HA 0.559 5.115 4.556 0.000 0.000 0.361 86 H C -1.796 173.594 175.328 0.103 0.000 1.122 86 H CA -0.887 55.108 56.048 -0.088 0.000 1.217 86 H CB 2.185 31.762 29.762 -0.308 0.000 1.776 86 H HN 0.106 nan 8.280 nan 0.000 0.533 87 I N 3.987 124.356 120.570 -0.336 0.000 2.465 87 I HA 0.217 4.387 4.170 0.000 0.000 0.291 87 I C -0.696 175.208 176.117 -0.356 0.000 1.014 87 I CA -0.643 60.535 61.300 -0.203 0.000 1.093 87 I CB 2.185 40.092 38.000 -0.155 0.000 1.267 87 I HN 0.570 nan 8.210 nan 0.000 0.431 88 E N 6.627 126.807 120.200 -0.033 0.000 2.263 88 E HA 0.547 4.898 4.350 0.000 0.000 0.268 88 E C -2.917 173.800 176.600 0.195 0.000 0.884 88 E CA -2.212 54.234 56.400 0.078 0.000 0.766 88 E CB 2.122 31.939 29.700 0.195 0.000 1.196 88 E HN 0.136 nan 8.360 nan 0.000 0.416 89 P HA -0.040 nan 4.420 nan 0.000 0.268 89 P C -0.513 176.806 177.300 0.031 0.000 1.208 89 P CA -0.362 62.824 63.100 0.143 0.000 0.777 89 P CB 0.603 32.372 31.700 0.114 0.000 0.875 90 V N 2.111 121.974 119.914 -0.086 0.000 2.439 90 V HA 0.427 4.548 4.120 0.000 0.000 0.282 90 V C 0.606 176.669 176.094 -0.051 0.000 1.039 90 V CA -0.661 61.609 62.300 -0.050 0.000 0.913 90 V CB 0.887 32.671 31.823 -0.065 0.000 0.983 90 V HN 0.668 nan 8.190 nan 0.000 0.460 91 A N 3.969 126.780 122.820 -0.016 0.000 2.454 91 A HA 0.560 4.881 4.320 0.000 0.000 0.260 91 A C 1.261 178.835 177.584 -0.017 0.000 1.106 91 A CA 0.452 52.481 52.037 -0.013 0.000 0.780 91 A CB -0.304 18.695 19.000 -0.001 0.000 1.044 91 A HN 2.133 nan 8.150 nan 0.000 0.498 92 G N 1.866 110.654 108.800 -0.021 0.000 2.225 92 G HA2 -0.138 3.822 3.960 0.000 0.000 0.264 92 G HA3 -0.138 3.822 3.960 0.000 0.000 0.264 92 G C -0.288 174.596 174.900 -0.027 0.000 1.060 92 G CA 0.408 45.498 45.100 -0.017 0.000 0.833 92 G HN 0.835 nan 8.290 nan 0.000 0.498 93 E N -0.005 120.165 120.200 -0.050 0.000 2.290 93 E HA 0.271 4.621 4.350 0.000 0.000 0.274 93 E C -0.396 176.145 176.600 -0.099 0.000 0.889 93 E CA -0.821 55.540 56.400 -0.065 0.000 0.760 93 E CB 1.492 31.147 29.700 -0.075 0.000 1.206 93 E HN 0.302 nan 8.360 nan 0.000 0.419 94 E N 1.357 121.510 120.200 -0.078 0.000 2.373 94 E HA 0.033 4.383 4.350 0.000 0.000 0.267 94 E C 0.159 176.676 176.600 -0.139 0.000 1.032 94 E CA -0.028 56.320 56.400 -0.087 0.000 0.889 94 E CB 0.350 30.024 29.700 -0.044 0.000 0.984 94 E HN 0.443 nan 8.360 nan 0.000 0.425 95 N N 1.976 120.562 118.700 -0.190 0.000 2.716 95 N HA -0.251 4.489 4.740 0.000 0.000 0.250 95 N C -0.926 174.379 175.510 -0.341 0.000 1.033 95 N CA 1.081 54.006 53.050 -0.209 0.000 0.727 95 N CB -0.589 37.885 38.487 -0.022 0.000 0.950 95 N HN 0.501 nan 8.380 nan 0.000 0.541 96 Q N 0.464 119.891 119.800 -0.621 0.000 2.305 96 Q HA 0.481 4.821 4.340 0.000 0.000 0.271 96 Q C -1.603 174.042 176.000 -0.590 0.000 1.046 96 Q CA -0.704 54.846 55.803 -0.422 0.000 0.798 96 Q CB 1.080 29.713 28.738 -0.175 0.000 1.286 96 Q HN 0.265 nan 8.270 nan 0.000 0.435 97 Y N 2.273 122.565 120.300 -0.012 0.000 2.477 97 Y HA 0.459 5.009 4.550 0.000 0.000 0.347 97 Y C -0.168 175.730 175.900 -0.005 0.000 0.981 97 Y CA -1.177 56.916 58.100 -0.011 0.000 1.033 97 Y CB 1.613 40.052 38.460 -0.036 0.000 1.245 97 Y HN 0.482 nan 8.280 nan 0.000 0.455 98 I N 2.764 123.429 120.570 0.158 0.000 2.352 98 I HA 0.164 4.335 4.170 0.000 0.000 0.290 98 I C -0.395 175.767 176.117 0.075 0.000 1.036 98 I CA -0.485 60.855 61.300 0.066 0.000 1.336 98 I CB 0.119 38.153 38.000 0.055 0.000 1.407 98 I HN 0.608 nan 8.210 nan 0.000 0.497 99 C N 7.387 126.699 119.300 0.021 0.000 2.322 99 C HA 0.501 4.961 4.460 0.000 0.000 0.324 99 C C -0.129 174.892 174.990 0.052 0.000 1.284 99 C CA -0.829 58.235 59.018 0.078 0.000 1.606 99 C CB 0.028 27.801 27.740 0.055 0.000 2.251 99 C HN 0.504 nan 8.230 nan 0.000 0.502 100 Y N 1.645 121.943 120.300 -0.003 0.000 2.323 100 Y HA 0.606 5.156 4.550 0.000 0.000 0.331 100 Y C 0.274 176.138 175.900 -0.059 0.000 1.092 100 Y CA -0.573 57.498 58.100 -0.048 0.000 1.150 100 Y CB 0.902 39.182 38.460 -0.300 0.000 1.200 100 Y HN 0.424 nan 8.280 nan 0.000 0.472 101 V N 2.461 122.603 119.914 0.381 0.000 2.638 101 V HA 0.794 4.914 4.120 0.000 0.000 0.306 101 V C -0.411 175.900 176.094 0.362 0.000 1.052 101 V CA -1.223 61.261 62.300 0.306 0.000 0.885 101 V CB 1.609 33.526 31.823 0.158 0.000 0.999 101 V HN 0.873 nan 8.190 nan 0.000 0.424 102 A N 4.115 127.092 122.820 0.260 0.000 2.292 102 A HA 0.858 5.178 4.320 0.000 0.000 0.319 102 A C -1.334 176.208 177.584 -0.070 0.000 1.206 102 A CA -0.366 51.763 52.037 0.154 0.000 0.835 102 A CB 0.505 19.596 19.000 0.152 0.000 1.164 102 A HN 0.767 nan 8.150 nan 0.000 0.505 103 Y N 2.467 122.875 120.300 0.179 0.000 2.341 103 Y HA 0.430 4.980 4.550 0.000 0.000 0.338 103 Y C -2.338 173.690 175.900 0.213 0.000 0.965 103 Y CA -2.438 55.792 58.100 0.217 0.000 1.108 103 Y CB 1.632 40.326 38.460 0.391 0.000 1.180 103 Y HN 0.483 nan 8.280 nan 0.000 0.458 104 P HA -0.028 nan 4.420 nan 0.000 0.271 104 P C 0.640 178.110 177.300 0.284 0.000 1.218 104 P CA -0.221 63.004 63.100 0.208 0.000 0.780 104 P CB 0.988 32.768 31.700 0.135 0.000 0.901 105 L N 3.096 124.439 121.223 0.199 0.000 2.042 105 L HA -0.202 4.138 4.340 0.000 0.000 0.210 105 L C 1.216 178.219 176.870 0.220 0.000 1.076 105 L CA 2.097 57.045 54.840 0.180 0.000 0.749 105 L CB -1.273 40.840 42.059 0.090 0.000 0.893 105 L HN 0.287 nan 8.230 nan 0.000 0.432 106 D N -0.649 119.859 120.400 0.179 0.000 2.354 106 D HA -0.172 4.468 4.640 0.000 0.000 0.216 106 D C 2.110 178.460 176.300 0.083 0.000 0.970 106 D CA 0.944 55.046 54.000 0.170 0.000 0.905 106 D CB -0.178 40.793 40.800 0.285 0.000 0.903 106 D HN 0.397 nan 8.370 nan 0.000 0.508 107 L N -0.836 120.367 121.223 -0.033 0.000 2.554 107 L HA 0.066 4.406 4.340 0.000 0.000 0.226 107 L C 0.087 176.585 176.870 -0.620 0.000 1.137 107 L CA 0.160 54.769 54.840 -0.386 0.000 0.863 107 L CB -0.070 41.626 42.059 -0.606 0.000 0.985 107 L HN -0.115 nan 8.230 nan 0.000 0.451 108 F N -0.035 119.872 119.950 -0.072 0.000 2.469 108 F HA 0.288 4.815 4.527 0.000 0.000 0.332 108 F C 0.676 176.492 175.800 0.026 0.000 1.103 108 F CA -1.215 56.730 58.000 -0.091 0.000 0.979 108 F CB 1.189 39.932 39.000 -0.428 0.000 1.137 108 F HN -0.156 nan 8.300 nan 0.000 0.463 109 E N 2.050 122.402 120.200 0.253 0.000 2.316 109 E HA 0.170 4.520 4.350 0.000 0.000 0.275 109 E C -0.746 175.997 176.600 0.238 0.000 1.029 109 E CA -0.645 55.857 56.400 0.170 0.000 0.871 109 E CB 0.616 30.368 29.700 0.086 0.000 1.022 109 E HN 0.496 nan 8.360 nan 0.000 0.418 110 E N 2.528 122.812 120.200 0.140 0.000 2.502 110 E HA 0.127 4.477 4.350 0.000 0.000 0.261 110 E C 0.937 177.333 176.600 -0.340 0.000 0.974 110 E CA 1.231 57.619 56.400 -0.019 0.000 0.936 110 E CB 0.335 30.015 29.700 -0.033 0.000 0.926 110 E HN 0.798 nan 8.360 nan 0.000 0.459 111 G N 2.561 110.788 108.800 -0.955 0.000 2.337 111 G HA2 -0.357 3.604 3.960 0.000 0.000 0.290 111 G HA3 -0.357 3.604 3.960 0.000 0.000 0.290 111 G C 0.241 174.603 174.900 -0.897 0.000 1.003 111 G CA 0.847 45.013 45.100 -1.557 0.000 0.825 111 G HN 0.472 nan 8.290 nan 0.000 0.509 112 S N -0.831 114.602 115.700 -0.445 0.000 2.528 112 S HA 0.492 4.962 4.470 0.000 0.000 0.303 112 S C 1.602 176.266 174.600 0.108 0.000 1.123 112 S CA 0.001 58.162 58.200 -0.065 0.000 1.138 112 S CB 1.181 64.386 63.200 0.008 0.000 0.984 112 S HN 0.460 nan 8.310 nan 0.000 0.474 113 V N 4.889 124.878 119.914 0.126 0.000 2.317 113 V HA -0.200 3.920 4.120 0.000 0.000 0.251 113 V C 2.620 178.501 176.094 -0.355 0.000 1.065 113 V CA 2.704 64.833 62.300 -0.284 0.000 1.049 113 V CB -1.181 30.215 31.823 -0.710 0.000 0.651 113 V HN 0.863 nan 8.190 nan 0.000 0.450 114 T N 0.045 114.525 114.554 -0.123 0.000 2.685 114 T HA -0.292 4.058 4.350 0.000 0.000 0.268 114 T C 1.876 176.625 174.700 0.081 0.000 1.034 114 T CA 2.021 64.142 62.100 0.035 0.000 1.149 114 T CB -0.513 68.416 68.868 0.103 0.000 0.860 114 T HN 0.624 nan 8.240 nan 0.000 0.449 115 N N 0.492 119.249 118.700 0.095 0.000 2.300 115 N HA -0.022 4.718 4.740 0.000 0.000 0.179 115 N C 2.044 177.682 175.510 0.214 0.000 1.016 115 N CA 0.902 54.036 53.050 0.141 0.000 0.876 115 N CB -0.182 38.392 38.487 0.145 0.000 0.979 115 N HN 0.458 nan 8.380 nan 0.000 0.432 116 M N -0.505 119.245 119.600 0.250 0.000 2.200 116 M HA -0.085 4.395 4.480 0.000 0.000 0.265 116 M C 1.107 177.610 176.300 0.339 0.000 1.066 116 M CA 1.234 56.748 55.300 0.358 0.000 1.127 116 M CB -0.109 32.588 32.600 0.161 0.000 1.379 116 M HN -0.056 nan 8.290 nan 0.000 0.420 117 F N 0.702 120.686 119.950 0.056 0.000 2.259 117 F HA -0.054 4.473 4.527 0.000 0.000 0.298 117 F C 2.519 178.352 175.800 0.055 0.000 1.088 117 F CA 1.290 59.305 58.000 0.026 0.000 1.358 117 F CB -1.543 37.445 39.000 -0.020 0.000 1.040 117 F HN 0.196 nan 8.300 nan 0.000 0.505 118 T N -0.757 113.944 114.554 0.246 0.000 2.821 118 T HA -0.130 4.220 4.350 0.000 0.000 0.267 118 T C 2.320 177.093 174.700 0.121 0.000 1.046 118 T CA 1.685 63.878 62.100 0.155 0.000 1.139 118 T CB -0.199 68.739 68.868 0.117 0.000 0.871 118 T HN 0.134 nan 8.240 nan 0.000 0.454 119 S N 0.973 116.735 115.700 0.102 0.000 2.345 119 S HA 0.131 4.601 4.470 0.000 0.000 0.219 119 S C 2.020 176.688 174.600 0.114 0.000 1.031 119 S CA 0.683 58.916 58.200 0.056 0.000 0.984 119 S CB -0.263 62.891 63.200 -0.078 0.000 0.874 119 S HN 0.417 nan 8.310 nan 0.000 0.451 120 I N 0.543 121.186 120.570 0.122 0.000 2.614 120 I HA -0.003 4.167 4.170 0.000 0.000 0.258 120 I C 1.309 177.616 176.117 0.316 0.000 1.189 120 I CA 0.922 62.321 61.300 0.164 0.000 1.462 120 I CB 0.124 38.157 38.000 0.056 0.000 1.092 120 I HN 0.135 nan 8.210 nan 0.000 0.442 121 V N -0.216 119.831 119.914 0.222 0.000 3.415 121 V HA 0.255 4.375 4.120 0.000 0.000 0.315 121 V C 1.547 177.710 176.094 0.115 0.000 1.516 121 V CA 0.459 62.875 62.300 0.193 0.000 1.122 121 V CB 0.708 32.483 31.823 -0.080 0.000 0.988 121 V HN 0.347 nan 8.190 nan 0.000 0.474 122 G N 1.177 110.070 108.800 0.155 0.000 2.524 122 G HA2 -0.171 3.790 3.960 0.000 0.000 0.215 122 G HA3 -0.171 3.790 3.960 0.000 0.000 0.215 122 G C 1.046 176.032 174.900 0.142 0.000 1.239 122 G CA 1.273 46.446 45.100 0.122 0.000 0.798 122 G HN 0.520 nan 8.290 nan 0.000 0.557 123 N N -0.157 118.651 118.700 0.181 0.000 2.210 123 N HA 0.031 4.771 4.740 0.000 0.000 0.203 123 N C 2.104 177.792 175.510 0.297 0.000 1.175 123 N CA 0.767 53.941 53.050 0.208 0.000 0.894 123 N CB 0.973 39.574 38.487 0.191 0.000 1.041 123 N HN 0.309 nan 8.380 nan 0.000 0.506 124 V N -1.938 118.139 119.914 0.272 0.000 3.041 124 V HA 0.105 4.225 4.120 0.000 0.000 0.260 124 V C 1.612 177.781 176.094 0.124 0.000 1.105 124 V CA 0.833 63.205 62.300 0.120 0.000 1.125 124 V CB -1.072 30.600 31.823 -0.253 0.000 0.730 124 V HN -0.116 nan 8.190 nan 0.000 0.479 125 F N 2.734 122.720 119.950 0.059 0.000 2.546 125 F HA 0.263 4.790 4.527 0.000 0.000 0.298 125 F C 2.296 178.199 175.800 0.172 0.000 1.120 125 F CA 1.188 59.240 58.000 0.086 0.000 1.456 125 F CB -0.648 38.396 39.000 0.074 0.000 1.088 125 F HN 0.335 nan 8.300 nan 0.000 0.572 126 G N -1.724 107.266 108.800 0.318 0.000 3.020 126 G HA2 -0.007 3.953 3.960 0.000 0.000 0.217 126 G HA3 -0.007 3.953 3.960 0.000 0.000 0.217 126 G C 0.277 175.262 174.900 0.143 0.000 1.144 126 G CA -0.290 44.928 45.100 0.198 0.000 0.760 126 G HN 0.028 nan 8.290 nan 0.000 0.548 127 F N 1.617 121.574 119.950 0.012 0.000 2.604 127 F HA 0.000 4.527 4.527 0.000 0.000 0.390 127 F C 1.890 177.684 175.800 -0.010 0.000 1.053 127 F CA 0.630 58.620 58.000 -0.015 0.000 1.256 127 F CB 0.756 39.719 39.000 -0.061 0.000 0.996 127 F HN -0.012 nan 8.300 nan 0.000 0.564 128 K N 3.006 123.414 120.400 0.014 0.000 2.103 128 K HA -0.172 4.148 4.320 0.000 0.000 0.207 128 K C 1.907 178.555 176.600 0.080 0.000 1.048 128 K CA 1.363 57.663 56.287 0.022 0.000 0.930 128 K CB -0.194 32.286 32.500 -0.034 0.000 0.716 128 K HN 0.708 nan 8.250 nan 0.000 0.444 129 A N 0.959 123.868 122.820 0.149 0.000 2.239 129 A HA 0.057 4.377 4.320 0.000 0.000 0.209 129 A C 0.574 178.204 177.584 0.076 0.000 1.171 129 A CA 0.526 52.635 52.037 0.121 0.000 0.768 129 A CB -0.273 18.828 19.000 0.169 0.000 0.790 129 A HN 0.102 nan 8.150 nan 0.000 0.478 130 L N -1.913 119.355 121.223 0.075 0.000 2.362 130 L HA 0.470 4.810 4.340 0.000 0.000 0.271 130 L C 1.142 178.042 176.870 0.051 0.000 1.002 130 L CA -0.750 54.110 54.840 0.033 0.000 0.818 130 L CB 1.841 43.892 42.059 -0.013 0.000 1.298 130 L HN 0.103 nan 8.230 nan 0.000 0.420 131 R N 1.292 121.818 120.500 0.044 0.000 2.112 131 R HA 0.386 4.726 4.340 0.000 0.000 0.216 131 R C 0.080 176.432 176.300 0.087 0.000 1.080 131 R CA 0.776 56.906 56.100 0.050 0.000 0.996 131 R CB 0.438 30.760 30.300 0.037 0.000 0.902 131 R HN 0.751 nan 8.270 nan 0.000 0.449 132 A N 0.123 123.007 122.820 0.106 0.000 2.612 132 A HA 0.623 4.943 4.320 0.000 0.000 0.293 132 A C -2.058 175.561 177.584 0.058 0.000 1.075 132 A CA -0.610 51.561 52.037 0.224 0.000 0.680 132 A CB 1.600 20.724 19.000 0.206 0.000 1.279 132 A HN 0.048 nan 8.150 nan 0.000 0.411 133 L N 0.374 121.573 121.223 -0.040 0.000 2.545 133 L HA 0.797 5.137 4.340 0.000 0.000 0.258 133 L C -0.989 175.663 176.870 -0.363 0.000 0.942 133 L CA -0.126 54.502 54.840 -0.354 0.000 0.855 133 L CB 1.953 43.556 42.059 -0.760 0.000 1.374 133 L HN 0.823 nan 8.230 nan 0.000 0.411 134 R N 4.218 124.655 120.500 -0.104 0.000 2.510 134 R HA 0.452 4.792 4.340 0.000 0.000 0.294 134 R C -1.799 174.605 176.300 0.172 0.000 1.056 134 R CA -0.859 55.316 56.100 0.125 0.000 0.918 134 R CB 1.608 31.956 30.300 0.079 0.000 1.187 134 R HN 0.727 nan 8.270 nan 0.000 0.437 135 L N 4.863 126.256 121.223 0.283 0.000 2.485 135 L HA 0.137 4.477 4.340 0.000 0.000 0.279 135 L C 0.996 177.814 176.870 -0.087 0.000 1.124 135 L CA 0.675 55.511 54.840 -0.007 0.000 0.888 135 L CB 0.738 42.807 42.059 0.016 0.000 1.217 135 L HN 0.643 nan 8.230 nan 0.000 0.464 136 E N 2.192 122.236 120.200 -0.261 0.000 2.122 136 E HA 0.035 4.385 4.350 0.000 0.000 0.190 136 E C -0.032 176.404 176.600 -0.272 0.000 0.977 136 E CA 0.632 56.854 56.400 -0.296 0.000 0.820 136 E CB 0.268 29.529 29.700 -0.732 0.000 0.770 136 E HN 0.738 nan 8.360 nan 0.000 0.462 137 D N -1.398 118.812 120.400 -0.317 0.000 2.639 137 D HA 0.399 5.040 4.640 0.000 0.000 0.271 137 D C -1.490 174.885 176.300 0.126 0.000 1.254 137 D CA -0.511 53.463 54.000 -0.044 0.000 0.810 137 D CB 1.274 42.071 40.800 -0.005 0.000 1.351 137 D HN -0.134 nan 8.370 nan 0.000 0.427 138 L N 1.089 122.435 121.223 0.204 0.000 2.431 138 L HA 0.496 4.836 4.340 0.000 0.000 0.266 138 L C -0.406 176.455 176.870 -0.015 0.000 0.978 138 L CA -0.849 54.033 54.840 0.071 0.000 0.822 138 L CB 2.302 44.360 42.059 -0.001 0.000 1.310 138 L HN 0.213 nan 8.230 nan 0.000 0.409 139 R N 3.609 123.860 120.500 -0.414 0.000 2.233 139 R HA 0.418 4.758 4.340 0.000 0.000 0.334 139 R C -1.033 175.078 176.300 -0.314 0.000 1.037 139 R CA -0.697 55.159 56.100 -0.406 0.000 0.920 139 R CB 0.252 30.111 30.300 -0.734 0.000 1.137 139 R HN 0.452 nan 8.270 nan 0.000 0.492 140 I N 7.321 127.722 120.570 -0.282 0.000 2.396 140 I HA 0.164 4.334 4.170 0.000 0.000 0.289 140 I C -1.608 174.368 176.117 -0.235 0.000 1.056 140 I CA -1.687 59.457 61.300 -0.260 0.000 1.365 140 I CB 0.846 38.672 38.000 -0.290 0.000 1.407 140 I HN 0.317 nan 8.210 nan 0.000 0.509 141 P HA 0.006 nan 4.420 nan 0.000 0.271 141 P C 0.995 178.255 177.300 -0.067 0.000 1.218 141 P CA -0.262 62.775 63.100 -0.105 0.000 0.780 141 P CB 1.311 32.966 31.700 -0.075 0.000 0.901 142 V N 0.024 119.902 119.914 -0.060 0.000 2.720 142 V HA -0.146 3.974 4.120 0.000 0.000 0.256 142 V C 2.102 178.208 176.094 0.020 0.000 1.082 142 V CA 1.916 64.194 62.300 -0.037 0.000 1.101 142 V CB -1.992 29.819 31.823 -0.020 0.000 0.693 142 V HN 0.537 nan 8.190 nan 0.000 0.479 143 A N -1.370 121.476 122.820 0.042 0.000 2.067 143 A HA 0.027 4.347 4.320 0.000 0.000 0.217 143 A C 2.056 179.732 177.584 0.152 0.000 1.156 143 A CA 1.113 53.195 52.037 0.075 0.000 0.683 143 A CB -0.668 18.368 19.000 0.060 0.000 0.808 143 A HN 0.616 nan 8.150 nan 0.000 0.455 144 Y N 0.315 120.613 120.300 -0.004 0.000 2.263 144 Y HA -0.081 4.469 4.550 0.000 0.000 0.292 144 Y C 2.355 178.340 175.900 0.141 0.000 1.130 144 Y CA 1.134 59.259 58.100 0.042 0.000 1.179 144 Y CB -0.375 38.062 38.460 -0.039 0.000 0.998 144 Y HN 0.076 nan 8.280 nan 0.000 0.532 145 V N 0.652 120.616 119.914 0.084 0.000 2.469 145 V HA -0.300 3.821 4.120 0.000 0.000 0.251 145 V C 2.192 178.350 176.094 0.108 0.000 1.064 145 V CA 1.961 64.271 62.300 0.017 0.000 1.066 145 V CB -0.461 31.330 31.823 -0.054 0.000 0.667 145 V HN 0.287 nan 8.190 nan 0.000 0.461 146 K N 0.282 120.735 120.400 0.088 0.000 2.366 146 K HA -0.044 4.276 4.320 0.000 0.000 0.198 146 K C 2.132 178.763 176.600 0.052 0.000 1.044 146 K CA 1.414 57.745 56.287 0.073 0.000 0.973 146 K CB -0.500 32.031 32.500 0.051 0.000 0.767 146 K HN 0.732 nan 8.250 nan 0.000 0.475 147 T N -1.295 113.270 114.554 0.019 0.000 3.072 147 T HA 0.002 4.352 4.350 0.000 0.000 0.266 147 T C 0.647 175.199 174.700 -0.246 0.000 1.127 147 T CA 0.244 62.262 62.100 -0.135 0.000 1.107 147 T CB -0.259 68.453 68.868 -0.260 0.000 0.910 147 T HN -0.158 nan 8.240 nan 0.000 0.513 148 F N 1.248 121.114 119.950 -0.141 0.000 2.432 148 F HA 0.485 5.012 4.527 0.000 0.000 0.329 148 F C 1.650 177.431 175.800 -0.032 0.000 1.076 148 F CA -1.536 56.408 58.000 -0.092 0.000 1.018 148 F CB 1.560 40.483 39.000 -0.128 0.000 1.201 148 F HN -0.115 nan 8.300 nan 0.000 0.489 149 Q N 1.957 121.879 119.800 0.203 0.000 2.123 149 Q HA 0.172 4.512 4.340 0.000 0.000 0.199 149 Q C 1.118 177.180 176.000 0.104 0.000 0.966 149 Q CA 1.167 57.044 55.803 0.124 0.000 0.845 149 Q CB -0.155 28.679 28.738 0.159 0.000 0.907 149 Q HN 1.005 nan 8.270 nan 0.000 0.439 150 G N 0.577 109.455 108.800 0.129 0.000 2.645 150 G HA2 -0.260 3.700 3.960 0.000 0.000 0.239 150 G HA3 -0.260 3.700 3.960 0.000 0.000 0.239 150 G C -2.489 172.405 174.900 -0.010 0.000 1.331 150 G CA -0.329 44.792 45.100 0.035 0.000 0.890 150 G HN 0.368 nan 8.290 nan 0.000 0.572 151 P HA 0.215 nan 4.420 nan 0.000 0.266 151 P C -1.845 175.401 177.300 -0.091 0.000 1.195 151 P CA -0.646 62.412 63.100 -0.071 0.000 0.768 151 P CB 0.288 31.942 31.700 -0.078 0.000 0.838 152 P HA -0.156 nan 4.420 nan 0.000 0.216 152 P C 1.018 177.913 177.300 -0.675 0.000 1.153 152 P CA 1.854 64.777 63.100 -0.295 0.000 0.848 152 P CB 0.041 31.639 31.700 -0.169 0.000 0.787 153 H N -3.101 115.966 119.070 -0.005 0.000 2.258 153 H HA 0.332 4.888 4.556 0.000 0.000 0.250 153 H C 1.187 176.518 175.328 0.005 0.000 0.908 153 H CA 1.222 57.272 56.048 0.003 0.000 1.096 153 H CB -0.005 29.761 29.762 0.006 0.000 1.422 153 H HN 0.056 nan 8.280 nan 0.000 0.469 154 G N 0.970 109.835 108.800 0.109 0.000 2.746 154 G HA2 -0.215 3.745 3.960 0.000 0.000 0.685 154 G HA3 -0.215 3.745 3.960 0.000 0.000 0.685 154 G C 0.855 175.800 174.900 0.075 0.000 1.350 154 G CA -0.033 45.098 45.100 0.052 0.000 0.837 154 G HN 0.213 nan 8.290 nan 0.000 0.564 155 I N 0.138 120.736 120.570 0.046 0.000 2.118 155 I HA -0.269 3.901 4.170 0.000 0.000 0.241 155 I C 2.929 179.091 176.117 0.074 0.000 1.070 155 I CA 2.400 63.732 61.300 0.054 0.000 1.327 155 I CB -0.235 37.783 38.000 0.030 0.000 1.034 155 I HN 0.745 nan 8.210 nan 0.000 0.405 156 Q N 0.820 120.665 119.800 0.075 0.000 2.050 156 Q HA -0.188 4.153 4.340 0.000 0.000 0.202 156 Q C 2.362 178.425 176.000 0.106 0.000 0.980 156 Q CA 1.958 57.819 55.803 0.095 0.000 0.840 156 Q CB 0.033 28.818 28.738 0.078 0.000 0.898 156 Q HN 0.384 nan 8.270 nan 0.000 0.424 157 V N 1.126 121.100 119.914 0.100 0.000 2.548 157 V HA -0.194 3.927 4.120 0.000 0.000 0.249 157 V C 2.245 178.386 176.094 0.077 0.000 1.055 157 V CA 1.916 64.279 62.300 0.105 0.000 1.065 157 V CB -0.450 31.464 31.823 0.152 0.000 0.681 157 V HN 0.460 nan 8.190 nan 0.000 0.462 158 E N 0.314 120.566 120.200 0.087 0.000 2.038 158 E HA -0.255 4.095 4.350 0.000 0.000 0.195 158 E C 2.468 179.086 176.600 0.031 0.000 1.000 158 E CA 1.495 57.937 56.400 0.069 0.000 0.803 158 E CB -0.065 29.710 29.700 0.125 0.000 0.750 158 E HN 0.494 nan 8.360 nan 0.000 0.448 159 R N 0.263 120.775 120.500 0.020 0.000 2.081 159 R HA -0.120 4.220 4.340 0.000 0.000 0.235 159 R C 2.022 178.216 176.300 -0.177 0.000 1.131 159 R CA 1.538 57.571 56.100 -0.112 0.000 0.960 159 R CB -0.153 30.111 30.300 -0.060 0.000 0.856 159 R HN 0.288 nan 8.270 nan 0.000 0.436 160 D N 0.394 120.802 120.400 0.013 0.000 2.144 160 D HA -0.103 4.537 4.640 0.000 0.000 0.200 160 D C 1.767 178.077 176.300 0.017 0.000 0.978 160 D CA 0.905 54.956 54.000 0.085 0.000 0.833 160 D CB 0.016 40.901 40.800 0.143 0.000 0.961 160 D HN 0.012 nan 8.370 nan 0.000 0.470 161 K N 0.507 120.906 120.400 -0.003 0.000 2.097 161 K HA -0.007 4.313 4.320 0.000 0.000 0.206 161 K C 2.110 178.693 176.600 -0.028 0.000 1.049 161 K CA 0.510 56.786 56.287 -0.018 0.000 0.933 161 K CB -0.196 32.272 32.500 -0.053 0.000 0.717 161 K HN 0.279 nan 8.250 nan 0.000 0.442 162 L N -0.131 121.060 121.223 -0.054 0.000 2.585 162 L HA 0.129 4.469 4.340 0.000 0.000 0.226 162 L C 0.488 177.281 176.870 -0.129 0.000 1.113 162 L CA -0.088 54.716 54.840 -0.060 0.000 0.876 162 L CB -0.327 41.717 42.059 -0.025 0.000 1.072 162 L HN 0.356 nan 8.230 nan 0.000 0.468 163 N N 1.710 120.284 118.700 -0.210 0.000 2.758 163 N HA -0.166 4.574 4.740 0.000 0.000 0.248 163 N C -0.564 174.718 175.510 -0.379 0.000 1.076 163 N CA 0.422 53.317 53.050 -0.258 0.000 0.696 163 N CB -0.356 38.097 38.487 -0.057 0.000 0.979 163 N HN 0.395 nan 8.380 nan 0.000 0.550 164 K N 1.571 121.613 120.400 -0.598 0.000 2.535 164 K HA 0.364 4.684 4.320 0.000 0.000 0.253 164 K C -1.428 174.803 176.600 -0.615 0.000 0.953 164 K CA -0.372 55.652 56.287 -0.439 0.000 0.863 164 K CB 0.986 33.337 32.500 -0.248 0.000 1.111 164 K HN 0.093 nan 8.250 nan 0.000 0.431 165 Y N -0.451 119.853 120.300 0.007 0.000 2.545 165 Y HA 0.490 5.040 4.550 0.000 0.000 0.348 165 Y C 1.100 177.005 175.900 0.008 0.000 1.002 165 Y CA -0.922 57.184 58.100 0.011 0.000 1.039 165 Y CB 2.476 40.943 38.460 0.012 0.000 1.271 165 Y HN 0.759 nan 8.280 nan 0.000 0.467 166 G N 1.469 110.379 108.800 0.183 0.000 2.141 166 G HA2 -0.153 3.807 3.960 0.000 0.000 0.231 166 G HA3 -0.153 3.807 3.960 0.000 0.000 0.231 166 G C -0.261 174.682 174.900 0.072 0.000 0.984 166 G CA 0.078 45.245 45.100 0.111 0.000 0.660 166 G HN 0.927 nan 8.290 nan 0.000 0.525 167 R N -2.143 118.394 120.500 0.061 0.000 2.765 167 R HA 0.542 4.882 4.340 0.000 0.000 0.277 167 R C -3.517 172.804 176.300 0.036 0.000 1.028 167 R CA -1.640 54.487 56.100 0.045 0.000 0.860 167 R CB 0.090 30.409 30.300 0.032 0.000 1.270 167 R HN 0.025 nan 8.270 nan 0.000 0.484 168 P HA 0.104 nan 4.420 nan 0.000 0.269 168 P C -0.536 176.775 177.300 0.018 0.000 1.215 168 P CA -0.225 62.891 63.100 0.027 0.000 0.780 168 P CB 0.468 32.190 31.700 0.036 0.000 0.898 169 L N 2.080 123.316 121.223 0.022 0.000 2.418 169 L HA 0.376 4.716 4.340 0.000 0.000 0.265 169 L C 0.229 177.143 176.870 0.073 0.000 1.143 169 L CA -0.403 54.454 54.840 0.029 0.000 0.809 169 L CB 0.083 42.220 42.059 0.130 0.000 1.124 169 L HN 0.182 nan 8.230 nan 0.000 0.456 170 L N 1.191 122.448 121.223 0.056 0.000 2.362 170 L HA 0.757 5.097 4.340 0.000 0.000 0.275 170 L C 0.165 177.125 176.870 0.151 0.000 0.998 170 L CA -0.294 54.612 54.840 0.111 0.000 0.820 170 L CB 1.889 43.977 42.059 0.048 0.000 1.270 170 L HN 0.740 nan 8.230 nan 0.000 0.415 171 G N 0.664 109.577 108.800 0.188 0.000 2.949 171 G HA2 0.629 4.589 3.960 0.000 0.000 0.285 171 G HA3 0.629 4.589 3.960 0.000 0.000 0.285 171 G C -1.868 173.076 174.900 0.072 0.000 1.395 171 G CA -0.534 44.646 45.100 0.134 0.000 0.901 171 G HN 0.709 nan 8.290 nan 0.000 0.519 172 C N 0.444 119.723 119.300 -0.034 0.000 3.008 172 C HA 0.605 5.065 4.460 0.000 0.000 0.405 172 C C -0.059 174.883 174.990 -0.080 0.000 1.046 172 C CA -0.487 58.526 59.018 -0.008 0.000 1.249 172 C CB 0.083 27.834 27.740 0.018 0.000 1.656 172 C HN 0.950 nan 8.230 nan 0.000 0.517 173 T N 6.798 121.325 114.554 -0.046 0.000 2.901 173 T HA 0.320 4.670 4.350 0.000 0.000 0.301 173 T C 0.725 175.401 174.700 -0.039 0.000 1.012 173 T CA -0.278 61.798 62.100 -0.040 0.000 1.135 173 T CB 0.309 69.190 68.868 0.020 0.000 0.936 173 T HN 0.627 nan 8.240 nan 0.000 0.539 174 I N 3.490 124.014 120.570 -0.077 0.000 2.710 174 I HA 0.104 4.274 4.170 0.000 0.000 0.286 174 I C 0.710 176.780 176.117 -0.079 0.000 1.181 174 I CA 0.330 61.522 61.300 -0.181 0.000 1.430 174 I CB -0.311 37.320 38.000 -0.615 0.000 1.367 174 I HN 0.490 nan 8.210 nan 0.000 0.577 175 K N 7.153 127.519 120.400 -0.057 0.000 2.371 175 K HA 0.535 4.855 4.320 0.000 0.000 0.251 175 K C -2.488 174.112 176.600 -0.001 0.000 0.934 175 K CA -1.748 54.539 56.287 0.001 0.000 0.798 175 K CB 1.829 34.346 32.500 0.029 0.000 1.204 175 K HN 0.240 nan 8.250 nan 0.000 0.427 176 P HA 0.190 nan 4.420 nan 0.000 0.276 176 P C 0.357 177.676 177.300 0.032 0.000 1.230 176 P CA -0.163 62.943 63.100 0.010 0.000 0.776 176 P CB 0.901 32.588 31.700 -0.022 0.000 0.888 177 K N 1.561 121.982 120.400 0.036 0.000 2.077 177 K HA -0.111 4.209 4.320 0.000 0.000 0.213 177 K C 0.811 177.457 176.600 0.076 0.000 1.051 177 K CA 1.229 57.556 56.287 0.067 0.000 0.929 177 K CB -0.209 32.318 32.500 0.045 0.000 0.715 177 K HN 0.407 nan 8.250 nan 0.000 0.451 178 L N -1.713 119.480 121.223 -0.050 0.000 2.323 178 L HA 0.390 4.730 4.340 0.000 0.000 0.265 178 L C 0.784 177.278 176.870 -0.627 0.000 1.012 178 L CA -0.262 54.416 54.840 -0.270 0.000 0.820 178 L CB 2.178 44.109 42.059 -0.214 0.000 1.334 178 L HN 0.512 nan 8.230 nan 0.000 0.427 179 G N 1.525 109.364 108.800 -1.601 0.000 2.201 179 G HA2 -0.189 3.771 3.960 0.000 0.000 0.212 179 G HA3 -0.189 3.771 3.960 0.000 0.000 0.212 179 G C -0.188 174.521 174.900 -0.319 0.000 0.994 179 G CA -0.556 43.877 45.100 -1.112 0.000 0.644 179 G HN 0.332 nan 8.290 nan 0.000 0.508 180 L N 2.553 123.741 121.223 -0.057 0.000 2.326 180 L HA 0.537 4.877 4.340 0.000 0.000 0.278 180 L C 1.525 178.609 176.870 0.356 0.000 1.092 180 L CA 0.045 54.995 54.840 0.183 0.000 0.810 180 L CB 1.416 43.638 42.059 0.273 0.000 1.153 180 L HN 0.477 nan 8.230 nan 0.000 0.439 181 S N 2.331 118.176 115.700 0.241 0.000 2.634 181 S HA 0.284 4.754 4.470 0.000 0.000 0.261 181 S C 1.101 175.809 174.600 0.181 0.000 1.271 181 S CA -0.060 58.262 58.200 0.204 0.000 0.985 181 S CB 1.473 64.734 63.200 0.101 0.000 0.968 181 S HN 0.695 nan 8.310 nan 0.000 0.568 182 A N 1.050 123.943 122.820 0.121 0.000 1.902 182 A HA -0.066 4.254 4.320 0.000 0.000 0.217 182 A C 2.109 179.688 177.584 -0.009 0.000 1.181 182 A CA 1.955 54.077 52.037 0.142 0.000 0.623 182 A CB -1.070 18.085 19.000 0.258 0.000 0.818 182 A HN 0.958 nan 8.150 nan 0.000 0.443 183 K N 0.439 120.641 120.400 -0.331 0.000 2.097 183 K HA -0.108 4.212 4.320 0.000 0.000 0.206 183 K C 1.539 177.984 176.600 -0.258 0.000 1.049 183 K CA 2.053 57.914 56.287 -0.710 0.000 0.933 183 K CB -0.506 31.537 32.500 -0.761 0.000 0.717 183 K HN 0.625 nan 8.250 nan 0.000 0.442 184 N N -1.195 117.460 118.700 -0.075 0.000 2.270 184 N HA -0.120 4.620 4.740 0.000 0.000 0.181 184 N C 1.359 176.911 175.510 0.070 0.000 1.016 184 N CA 0.822 53.877 53.050 0.008 0.000 0.870 184 N CB -0.162 38.348 38.487 0.038 0.000 0.979 184 N HN 0.136 nan 8.380 nan 0.000 0.431 185 Y N 1.305 121.611 120.300 0.011 0.000 2.114 185 Y HA -0.128 4.422 4.550 0.000 0.000 0.284 185 Y C 2.528 178.445 175.900 0.028 0.000 1.143 185 Y CA 1.739 59.870 58.100 0.051 0.000 1.135 185 Y CB -0.717 37.799 38.460 0.093 0.000 0.980 185 Y HN 0.019 nan 8.280 nan 0.000 0.499 186 G N -0.376 108.532 108.800 0.180 0.000 2.440 186 G HA2 -0.329 3.631 3.960 0.000 0.000 0.218 186 G HA3 -0.329 3.631 3.960 0.000 0.000 0.218 186 G C 1.756 176.718 174.900 0.104 0.000 1.154 186 G CA 1.016 46.198 45.100 0.137 0.000 0.767 186 G HN 0.372 nan 8.290 nan 0.000 0.552 187 R N 0.716 121.251 120.500 0.059 0.000 2.073 187 R HA 0.019 4.359 4.340 0.000 0.000 0.234 187 R C 2.785 179.140 176.300 0.093 0.000 1.134 187 R CA 1.692 57.845 56.100 0.089 0.000 0.952 187 R CB -0.554 29.770 30.300 0.040 0.000 0.850 187 R HN 0.247 nan 8.270 nan 0.000 0.433 188 A N 0.654 123.487 122.820 0.021 0.000 1.908 188 A HA -0.115 4.205 4.320 0.000 0.000 0.218 188 A C 2.339 179.913 177.584 -0.016 0.000 1.181 188 A CA 1.770 53.791 52.037 -0.026 0.000 0.627 188 A CB -0.638 18.296 19.000 -0.110 0.000 0.818 188 A HN 0.254 nan 8.150 nan 0.000 0.445 189 V N -1.168 118.751 119.914 0.009 0.000 2.343 189 V HA -0.279 3.841 4.120 0.000 0.000 0.247 189 V C 2.393 178.527 176.094 0.065 0.000 1.051 189 V CA 2.134 64.460 62.300 0.044 0.000 1.036 189 V CB -1.060 30.790 31.823 0.046 0.000 0.654 189 V HN 0.761 nan 8.190 nan 0.000 0.451 190 Y N 1.442 121.747 120.300 0.008 0.000 2.145 190 Y HA -0.207 4.343 4.550 0.000 0.000 0.286 190 Y C 2.550 178.456 175.900 0.011 0.000 1.145 190 Y CA 1.949 60.059 58.100 0.016 0.000 1.148 190 Y CB -0.337 38.139 38.460 0.027 0.000 0.981 190 Y HN 0.258 nan 8.280 nan 0.000 0.507 191 E N -0.157 119.833 120.200 -0.351 0.000 2.051 191 E HA -0.218 4.132 4.350 0.000 0.000 0.192 191 E C 2.487 178.934 176.600 -0.255 0.000 0.991 191 E CA 1.512 57.677 56.400 -0.391 0.000 0.799 191 E CB -0.967 28.651 29.700 -0.137 0.000 0.748 191 E HN 0.563 nan 8.360 nan 0.000 0.449 192 C N 0.831 120.046 119.300 -0.141 0.000 2.413 192 C HA -0.117 4.343 4.460 0.000 0.000 0.277 192 C C 2.918 177.841 174.990 -0.111 0.000 1.228 192 C CA 0.532 59.489 59.018 -0.101 0.000 1.731 192 C CB -1.217 26.492 27.740 -0.052 0.000 2.042 192 C HN 0.352 nan 8.230 nan 0.000 0.468 193 L N 1.226 122.390 121.223 -0.098 0.000 2.093 193 L HA -0.143 4.197 4.340 0.000 0.000 0.208 193 L C 2.908 179.710 176.870 -0.114 0.000 1.085 193 L CA 1.659 56.453 54.840 -0.078 0.000 0.755 193 L CB -0.747 41.301 42.059 -0.018 0.000 0.904 193 L HN 0.467 nan 8.230 nan 0.000 0.435 194 R N 0.715 121.087 120.500 -0.213 0.000 2.193 194 R HA -0.097 4.243 4.340 0.000 0.000 0.229 194 R C 1.713 177.935 176.300 -0.132 0.000 1.110 194 R CA 1.426 57.414 56.100 -0.187 0.000 0.988 194 R CB -0.745 29.353 30.300 -0.336 0.000 0.871 194 R HN 0.278 nan 8.270 nan 0.000 0.458 195 G N -0.484 108.233 108.800 -0.138 0.000 3.181 195 G HA2 0.313 4.273 3.960 0.000 0.000 0.219 195 G HA3 0.313 4.273 3.960 0.000 0.000 0.219 195 G C 0.746 175.592 174.900 -0.091 0.000 1.182 195 G CA 0.065 45.100 45.100 -0.108 0.000 0.791 195 G HN 0.596 nan 8.290 nan 0.000 0.537 196 G N -0.641 108.110 108.800 -0.082 0.000 2.163 196 G HA2 -0.215 3.745 3.960 0.000 0.000 0.213 196 G HA3 -0.215 3.745 3.960 0.000 0.000 0.213 196 G C 0.272 175.120 174.900 -0.086 0.000 0.991 196 G CA -0.183 44.872 45.100 -0.075 0.000 0.653 196 G HN 0.414 nan 8.290 nan 0.000 0.518 197 L N 1.049 122.219 121.223 -0.087 0.000 2.395 197 L HA 0.386 4.727 4.340 0.000 0.000 0.269 197 L C 1.269 178.064 176.870 -0.125 0.000 1.133 197 L CA -0.583 54.208 54.840 -0.082 0.000 0.812 197 L CB 0.584 42.613 42.059 -0.050 0.000 1.125 197 L HN 0.035 nan 8.230 nan 0.000 0.452 198 D N 1.445 121.724 120.400 -0.202 0.000 2.213 198 D HA 0.037 4.678 4.640 0.000 0.000 0.205 198 D C -0.097 175.938 176.300 -0.442 0.000 0.961 198 D CA 1.474 55.219 54.000 -0.425 0.000 0.853 198 D CB 0.305 40.696 40.800 -0.683 0.000 0.967 198 D HN 0.163 nan 8.370 nan 0.000 0.496 199 F N -0.262 119.674 119.950 -0.023 0.000 2.643 199 F HA 0.337 4.864 4.527 0.000 0.000 0.314 199 F C 0.501 176.173 175.800 -0.214 0.000 1.096 199 F CA -1.041 56.903 58.000 -0.093 0.000 0.953 199 F CB 1.640 40.606 39.000 -0.057 0.000 1.345 199 F HN -0.336 nan 8.300 nan 0.000 0.468 203 D N 1.307 121.825 120.400 0.197 0.000 2.406 203 D HA -0.062 4.578 4.640 0.000 0.000 0.234 203 D C 1.552 177.840 176.300 -0.019 0.000 1.196 203 D CA 0.188 54.237 54.000 0.083 0.000 0.881 203 D CB 1.125 42.004 40.800 0.132 0.000 1.205 203 D HN 0.433 nan 8.370 nan 0.000 0.453 204 E N 2.381 122.457 120.200 -0.207 0.000 2.085 204 E HA -0.260 4.091 4.350 0.000 0.000 0.194 204 E C 0.821 177.334 176.600 -0.146 0.000 0.994 204 E CA 1.309 57.492 56.400 -0.362 0.000 0.801 204 E CB -0.512 28.718 29.700 -0.784 0.000 0.743 204 E HN 0.522 nan 8.360 nan 0.000 0.453 205 N N 1.023 119.683 118.700 -0.067 0.000 2.322 205 N HA 0.014 4.754 4.740 0.000 0.000 0.194 205 N C -0.100 175.449 175.510 0.066 0.000 1.126 205 N CA -0.065 52.982 53.050 -0.006 0.000 0.845 205 N CB 0.195 38.688 38.487 0.010 0.000 0.976 205 N HN -0.035 nan 8.380 nan 0.000 0.475 206 V N 1.684 121.654 119.914 0.093 0.000 2.356 206 V HA 0.201 4.321 4.120 0.000 0.000 0.258 206 V C 0.291 176.436 176.094 0.085 0.000 1.065 206 V CA -0.278 62.106 62.300 0.140 0.000 0.935 206 V CB -0.365 31.553 31.823 0.159 0.000 1.061 206 V HN 0.304 nan 8.190 nan 0.000 0.484 207 N N 2.415 121.147 118.700 0.054 0.000 2.871 207 N HA 0.231 4.971 4.740 0.000 0.000 0.204 207 N C -0.069 175.468 175.510 0.046 0.000 1.233 207 N CA -0.241 52.832 53.050 0.038 0.000 1.124 207 N CB 0.592 39.078 38.487 -0.002 0.000 1.414 207 N HN 0.495 nan 8.380 nan 0.000 0.511 208 S N 0.312 116.014 115.700 0.003 0.000 2.736 208 S HA 0.432 4.902 4.470 0.000 0.000 0.285 208 S C -1.780 172.752 174.600 -0.112 0.000 1.163 208 S CA -0.468 57.734 58.200 0.003 0.000 1.025 208 S CB 1.118 64.435 63.200 0.194 0.000 1.030 208 S HN 0.219 nan 8.310 nan 0.000 0.486 209 Q N 3.643 123.267 119.800 -0.293 0.000 2.484 209 Q HA 0.492 4.832 4.340 0.000 0.000 0.285 209 Q C -2.047 173.700 176.000 -0.423 0.000 1.097 209 Q CA -1.959 53.611 55.803 -0.388 0.000 0.802 209 Q CB 1.573 29.927 28.738 -0.640 0.000 1.444 209 Q HN 0.261 nan 8.270 nan 0.000 0.429 210 P HA -0.228 nan 4.420 nan 0.000 0.218 210 P C 0.441 177.678 177.300 -0.105 0.000 1.152 210 P CA 1.531 64.565 63.100 -0.111 0.000 0.857 210 P CB 0.049 31.754 31.700 0.009 0.000 0.787 211 F N -3.150 116.814 119.950 0.023 0.000 2.743 211 F HA 0.368 4.895 4.527 0.000 0.000 0.297 211 F C 0.870 176.687 175.800 0.028 0.000 1.131 211 F CA -0.131 57.885 58.000 0.027 0.000 1.426 211 F CB -0.403 38.618 39.000 0.035 0.000 1.116 211 F HN -0.196 nan 8.300 nan 0.000 0.583 212 M N 1.419 120.682 119.600 -0.562 0.000 2.298 212 M HA 0.361 4.842 4.480 0.000 0.000 0.255 212 M C -1.606 174.539 176.300 -0.260 0.000 1.021 212 M CA -0.500 54.658 55.300 -0.236 0.000 0.968 212 M CB 1.183 33.752 32.600 -0.052 0.000 2.037 212 M HN -0.183 nan 8.290 nan 0.000 0.478 213 R N 3.996 124.409 120.500 -0.145 0.000 2.428 213 R HA 0.316 4.656 4.340 0.000 0.000 0.294 213 R C 1.006 177.236 176.300 -0.116 0.000 1.000 213 R CA -0.298 55.715 56.100 -0.145 0.000 0.960 213 R CB 0.884 31.077 30.300 -0.179 0.000 1.076 213 R HN 0.966 nan 8.270 nan 0.000 0.475 214 W N 4.521 125.716 121.300 -0.174 0.000 2.318 214 W HA -0.236 4.424 4.660 0.000 0.000 0.313 214 W C 1.155 177.511 176.519 -0.271 0.000 1.221 214 W CA 1.004 58.227 57.345 -0.203 0.000 1.266 214 W CB -0.555 28.711 29.460 -0.324 0.000 1.150 214 W HN 0.582 nan 8.180 nan 0.000 0.496 215 R N 1.027 120.750 120.500 -1.295 0.000 2.075 215 R HA -0.146 4.194 4.340 0.000 0.000 0.232 215 R C 1.937 177.957 176.300 -0.467 0.000 1.126 215 R CA 2.077 57.367 56.100 -1.350 0.000 0.963 215 R CB -0.453 28.802 30.300 -1.742 0.000 0.858 215 R HN -0.021 nan 8.270 nan 0.000 0.435 216 D N 0.022 120.228 120.400 -0.324 0.000 2.133 216 D HA -0.231 4.409 4.640 0.000 0.000 0.195 216 D C 1.849 178.251 176.300 0.170 0.000 0.997 216 D CA 1.138 55.109 54.000 -0.048 0.000 0.840 216 D CB -0.253 40.557 40.800 0.017 0.000 0.947 216 D HN 0.265 nan 8.370 nan 0.000 0.452 217 R N -0.351 120.260 120.500 0.185 0.000 2.073 217 R HA -0.144 4.196 4.340 0.000 0.000 0.234 217 R C 2.247 178.790 176.300 0.405 0.000 1.134 217 R CA 1.060 57.333 56.100 0.288 0.000 0.952 217 R CB -0.261 30.167 30.300 0.213 0.000 0.850 217 R HN 0.068 nan 8.270 nan 0.000 0.433 218 F N 0.857 120.922 119.950 0.192 0.000 2.075 218 F HA -0.182 4.345 4.527 0.000 0.000 0.297 218 F C 2.249 178.134 175.800 0.141 0.000 1.113 218 F CA 0.584 58.721 58.000 0.229 0.000 1.218 218 F CB -1.163 38.103 39.000 0.443 0.000 0.984 218 F HN 0.050 nan 8.300 nan 0.000 0.472 219 L N -0.470 120.973 121.223 0.366 0.000 1.978 219 L HA -0.279 4.061 4.340 0.000 0.000 0.218 219 L C 2.372 179.241 176.870 -0.002 0.000 1.075 219 L CA 1.940 56.846 54.840 0.109 0.000 0.767 219 L CB -1.451 40.560 42.059 -0.079 0.000 0.890 219 L HN 0.017 nan 8.230 nan 0.000 0.434 220 F N -1.267 118.752 119.950 0.115 0.000 2.134 220 F HA -0.206 4.322 4.527 0.000 0.000 0.299 220 F C 2.685 178.508 175.800 0.038 0.000 1.097 220 F CA 1.384 59.428 58.000 0.074 0.000 1.264 220 F CB -1.214 37.831 39.000 0.076 0.000 1.001 220 F HN 0.168 nan 8.300 nan 0.000 0.479 221 C N -0.333 119.067 119.300 0.168 0.000 2.440 221 C HA -0.089 4.371 4.460 0.000 0.000 0.278 221 C C 3.107 178.062 174.990 -0.058 0.000 1.295 221 C CA 0.758 59.757 59.018 -0.032 0.000 1.738 221 C CB -1.603 25.945 27.740 -0.320 0.000 1.987 221 C HN 0.517 nan 8.230 nan 0.000 0.492 222 A N 0.571 123.369 122.820 -0.037 0.000 1.873 222 A HA -0.277 4.043 4.320 0.000 0.000 0.218 222 A C 2.154 179.721 177.584 -0.030 0.000 1.193 222 A CA 2.143 54.105 52.037 -0.124 0.000 0.629 222 A CB -0.785 18.202 19.000 -0.022 0.000 0.826 222 A HN 0.704 nan 8.150 nan 0.000 0.447 223 E N -0.275 119.984 120.200 0.098 0.000 2.023 223 E HA -0.186 4.164 4.350 0.000 0.000 0.196 223 E C 2.254 178.921 176.600 0.112 0.000 1.003 223 E CA 1.249 57.736 56.400 0.145 0.000 0.809 223 E CB -0.340 29.442 29.700 0.136 0.000 0.755 223 E HN 0.509 nan 8.360 nan 0.000 0.449 224 A N 1.247 124.131 122.820 0.107 0.000 1.896 224 A HA -0.274 4.046 4.320 0.000 0.000 0.220 224 A C 2.230 179.900 177.584 0.144 0.000 1.206 224 A CA 2.607 54.723 52.037 0.132 0.000 0.647 224 A CB -1.073 18.018 19.000 0.153 0.000 0.828 224 A HN 0.439 nan 8.150 nan 0.000 0.455 225 L N -3.702 117.535 121.223 0.023 0.000 2.131 225 L HA 0.034 4.374 4.340 0.000 0.000 0.206 225 L C 2.283 179.151 176.870 -0.002 0.000 1.087 225 L CA 1.642 56.472 54.840 -0.016 0.000 0.767 225 L CB -1.441 40.546 42.059 -0.120 0.000 0.917 225 L HN 0.273 nan 8.230 nan 0.000 0.441 226 Y N 0.973 121.318 120.300 0.075 0.000 2.151 226 Y HA -0.212 4.338 4.550 0.001 0.000 0.284 226 Y C 2.812 178.750 175.900 0.065 0.000 1.166 226 Y CA 1.687 59.820 58.100 0.055 0.000 1.163 226 Y CB -0.847 37.632 38.460 0.031 0.000 0.974 226 Y HN 0.281 nan 8.280 nan 0.000 0.511 227 K N -0.032 120.488 120.400 0.201 0.000 2.026 227 K HA -0.195 4.125 4.320 0.000 0.000 0.208 227 K C 2.377 179.134 176.600 0.261 0.000 1.048 227 K CA 1.192 57.565 56.287 0.143 0.000 0.929 227 K CB -0.345 32.113 32.500 -0.071 0.000 0.713 227 K HN 0.262 nan 8.250 nan 0.000 0.439 228 A N 1.218 124.252 122.820 0.357 0.000 1.892 228 A HA -0.300 4.020 4.320 0.000 0.000 0.218 228 A C 2.097 179.766 177.584 0.142 0.000 1.188 228 A CA 2.030 54.215 52.037 0.246 0.000 0.631 228 A CB -0.796 18.284 19.000 0.132 0.000 0.822 228 A HN 0.567 nan 8.150 nan 0.000 0.447 229 Q N -0.713 119.168 119.800 0.134 0.000 2.084 229 Q HA -0.133 4.207 4.340 0.000 0.000 0.202 229 Q C 2.180 178.241 176.000 0.100 0.000 0.978 229 Q CA 1.760 57.626 55.803 0.106 0.000 0.844 229 Q CB -0.370 28.453 28.738 0.141 0.000 0.898 229 Q HN 0.616 nan 8.270 nan 0.000 0.426 230 A N 0.760 123.651 122.820 0.119 0.000 1.902 230 A HA -0.253 4.067 4.320 0.000 0.000 0.217 230 A C 1.913 179.545 177.584 0.079 0.000 1.181 230 A CA 1.675 53.765 52.037 0.089 0.000 0.623 230 A CB -0.728 18.324 19.000 0.086 0.000 0.818 230 A HN 0.643 nan 8.150 nan 0.000 0.443 231 E N -0.474 119.788 120.200 0.105 0.000 2.031 231 E HA -0.187 4.164 4.350 0.000 0.000 0.193 231 E C 2.005 178.643 176.600 0.063 0.000 0.994 231 E CA 2.012 58.470 56.400 0.097 0.000 0.800 231 E CB -0.119 29.673 29.700 0.153 0.000 0.752 231 E HN 0.713 nan 8.360 nan 0.000 0.447 232 T N -3.643 110.943 114.554 0.055 0.000 3.057 232 T HA 0.231 4.582 4.350 0.000 0.000 0.254 232 T C 1.532 176.246 174.700 0.023 0.000 1.094 232 T CA 0.580 62.697 62.100 0.028 0.000 1.088 232 T CB 0.403 69.277 68.868 0.009 0.000 0.934 232 T HN 0.375 nan 8.240 nan 0.000 0.497 233 G N 1.630 110.448 108.800 0.031 0.000 2.175 233 G HA2 -0.259 3.701 3.960 0.000 0.000 0.265 233 G HA3 -0.259 3.701 3.960 0.000 0.000 0.265 233 G C -0.279 174.629 174.900 0.013 0.000 0.979 233 G CA 0.471 45.585 45.100 0.024 0.000 0.663 233 G HN 0.712 nan 8.290 nan 0.000 0.533 234 E N -0.554 119.648 120.200 0.004 0.000 2.195 234 E HA 0.622 4.973 4.350 0.000 0.000 0.271 234 E C 0.308 176.897 176.600 -0.018 0.000 0.923 234 E CA -1.181 55.209 56.400 -0.017 0.000 0.790 234 E CB 1.755 31.431 29.700 -0.039 0.000 1.155 234 E HN 0.282 nan 8.360 nan 0.000 0.402 235 I N 2.922 123.476 120.570 -0.026 0.000 2.710 235 I HA -0.013 4.157 4.170 0.000 0.000 0.286 235 I C 0.409 176.498 176.117 -0.046 0.000 1.181 235 I CA 0.427 61.720 61.300 -0.011 0.000 1.430 235 I CB 0.088 38.083 38.000 -0.009 0.000 1.367 235 I HN 0.242 nan 8.210 nan 0.000 0.577 236 K N 4.204 124.601 120.400 -0.005 0.000 2.395 236 K HA 0.813 5.133 4.320 0.000 0.000 0.245 236 K C -0.255 176.395 176.600 0.084 0.000 1.017 236 K CA -0.782 55.496 56.287 -0.014 0.000 0.852 236 K CB 2.059 34.562 32.500 0.006 0.000 1.311 236 K HN 0.751 nan 8.250 nan 0.000 0.452 237 G N -0.239 108.683 108.800 0.203 0.000 2.695 237 G HA2 0.451 4.411 3.960 0.000 0.000 0.290 237 G HA3 0.451 4.411 3.960 0.000 0.000 0.290 237 G C -1.888 173.181 174.900 0.281 0.000 1.410 237 G CA -0.223 45.074 45.100 0.328 0.000 0.844 237 G HN 0.553 nan 8.290 nan 0.000 0.478 238 H N 0.110 119.234 119.070 0.090 0.000 3.017 238 H HA 0.339 4.895 4.556 0.000 0.000 0.340 238 H C -1.469 173.860 175.328 0.003 0.000 1.014 238 H CA -0.647 55.389 56.048 -0.020 0.000 1.341 238 H CB 1.307 31.049 29.762 -0.034 0.000 1.739 238 H HN 0.373 nan 8.280 nan 0.000 0.506 239 Y N 5.621 125.605 120.300 -0.526 0.000 2.539 239 Y HA 0.204 4.754 4.550 0.000 0.000 0.352 239 Y C 0.504 176.269 175.900 -0.225 0.000 1.004 239 Y CA -1.000 56.897 58.100 -0.338 0.000 1.278 239 Y CB -0.217 38.012 38.460 -0.385 0.000 1.136 239 Y HN 0.332 nan 8.280 nan 0.000 0.528 240 L N 3.914 125.123 121.223 -0.023 0.000 2.315 240 L HA 0.210 4.550 4.340 0.000 0.000 0.283 240 L C 0.647 177.476 176.870 -0.069 0.000 1.089 240 L CA 0.001 54.687 54.840 -0.255 0.000 0.833 240 L CB 0.217 41.684 42.059 -0.987 0.000 1.170 240 L HN 0.622 nan 8.230 nan 0.000 0.442 241 N N 2.177 120.934 118.700 0.094 0.000 2.416 241 N HA 0.143 4.884 4.740 0.000 0.000 0.265 241 N C 0.817 176.473 175.510 0.243 0.000 1.195 241 N CA -0.119 53.031 53.050 0.168 0.000 0.943 241 N CB 0.944 39.519 38.487 0.148 0.000 1.115 241 N HN 0.808 nan 8.380 nan 0.000 0.481 242 A N 2.957 125.886 122.820 0.182 0.000 2.238 242 A HA 0.041 4.361 4.320 0.000 0.000 0.208 242 A C 0.747 178.382 177.584 0.085 0.000 1.177 242 A CA 0.068 52.169 52.037 0.108 0.000 0.804 242 A CB -0.036 19.010 19.000 0.075 0.000 0.823 242 A HN 0.594 nan 8.150 nan 0.000 0.482 243 T N 1.566 116.191 114.554 0.118 0.000 2.934 243 T HA 0.460 4.810 4.350 0.000 0.000 0.306 243 T C 0.204 174.896 174.700 -0.014 0.000 1.042 243 T CA 0.946 63.086 62.100 0.066 0.000 1.145 243 T CB 0.783 69.609 68.868 -0.070 0.000 0.982 243 T HN 0.755 nan 8.240 nan 0.000 0.544 244 A N 2.071 124.882 122.820 -0.014 0.000 2.599 244 A HA 0.770 5.090 4.320 0.000 0.000 0.290 244 A C 1.241 178.798 177.584 -0.044 0.000 1.101 244 A CA -0.282 51.712 52.037 -0.070 0.000 0.674 244 A CB 0.591 19.507 19.000 -0.140 0.000 1.277 244 A HN 0.770 nan 8.150 nan 0.000 0.419 245 G N -0.655 108.114 108.800 -0.051 0.000 2.443 245 G HA2 0.332 4.292 3.960 0.000 0.000 0.219 245 G HA3 0.332 4.292 3.960 0.000 0.000 0.219 245 G C 0.715 175.598 174.900 -0.028 0.000 1.131 245 G CA 1.928 47.008 45.100 -0.034 0.000 0.775 245 G HN 1.721 nan 8.290 nan 0.000 0.547 246 T N -4.445 110.087 114.554 -0.038 0.000 2.841 246 T HA 0.294 4.644 4.350 0.000 0.000 0.296 246 T C 0.823 175.497 174.700 -0.043 0.000 1.166 246 T CA -0.106 61.975 62.100 -0.032 0.000 1.007 246 T CB 1.369 70.217 68.868 -0.033 0.000 1.253 246 T HN -0.064 nan 8.240 nan 0.000 0.511 247 C N 0.348 119.625 119.300 -0.038 0.000 2.446 247 C HA 0.084 4.544 4.460 0.000 0.000 0.279 247 C C 2.481 177.425 174.990 -0.077 0.000 1.366 247 C CA 0.424 59.409 59.018 -0.056 0.000 1.763 247 C CB -1.403 26.311 27.740 -0.043 0.000 1.929 247 C HN 0.984 nan 8.230 nan 0.000 0.509 248 E N 1.931 122.094 120.200 -0.061 0.000 2.047 248 E HA -0.138 4.213 4.350 0.000 0.000 0.191 248 E C 1.559 178.102 176.600 -0.095 0.000 0.987 248 E CA 1.298 57.658 56.400 -0.066 0.000 0.799 248 E CB -0.429 29.247 29.700 -0.040 0.000 0.752 248 E HN 0.488 nan 8.360 nan 0.000 0.449 249 D N 0.322 120.662 120.400 -0.100 0.000 2.133 249 D HA -0.217 4.423 4.640 0.000 0.000 0.195 249 D C 1.839 177.990 176.300 -0.248 0.000 0.997 249 D CA 1.121 55.024 54.000 -0.161 0.000 0.840 249 D CB -0.277 40.435 40.800 -0.147 0.000 0.947 249 D HN 0.165 nan 8.370 nan 0.000 0.452 250 M N -0.394 119.090 119.600 -0.193 0.000 2.065 250 M HA -0.199 4.282 4.480 0.000 0.000 0.259 250 M C 1.752 177.910 176.300 -0.237 0.000 1.069 250 M CA 1.373 56.558 55.300 -0.193 0.000 1.110 250 M CB 0.017 32.541 32.600 -0.127 0.000 1.328 250 M HN -0.079 nan 8.290 nan 0.000 0.405 251 M N 0.363 119.828 119.600 -0.225 0.000 2.159 251 M HA -0.186 4.295 4.480 0.000 0.000 0.263 251 M C 1.897 178.047 176.300 -0.250 0.000 1.063 251 M CA 1.658 56.786 55.300 -0.287 0.000 1.110 251 M CB -1.380 31.077 32.600 -0.238 0.000 1.374 251 M HN 0.296 nan 8.290 nan 0.000 0.411 252 K N -0.305 119.980 120.400 -0.191 0.000 2.280 252 K HA -0.113 4.207 4.320 0.000 0.000 0.202 252 K C 2.108 178.607 176.600 -0.168 0.000 1.047 252 K CA 0.905 57.128 56.287 -0.107 0.000 0.942 252 K CB 0.040 32.511 32.500 -0.048 0.000 0.739 252 K HN 0.422 nan 8.250 nan 0.000 0.457 253 R N -0.042 120.205 120.500 -0.422 0.000 2.066 253 R HA 0.058 4.398 4.340 0.000 0.000 0.224 253 R C 2.421 178.817 176.300 0.159 0.000 1.122 253 R CA 0.778 56.611 56.100 -0.446 0.000 0.974 253 R CB -0.337 29.545 30.300 -0.696 0.000 0.871 253 R HN 0.069 nan 8.270 nan 0.000 0.435 254 A N 1.429 124.257 122.820 0.013 0.000 1.859 254 A HA -0.208 4.112 4.320 0.000 0.000 0.218 254 A C 2.388 180.052 177.584 0.134 0.000 1.209 254 A CA 2.135 54.187 52.037 0.025 0.000 0.639 254 A CB -1.061 17.758 19.000 -0.301 0.000 0.835 254 A HN 0.109 nan 8.150 nan 0.000 0.450 255 V N -1.294 118.627 119.914 0.012 0.000 2.324 255 V HA -0.284 3.837 4.120 0.000 0.000 0.250 255 V C 2.323 178.614 176.094 0.329 0.000 1.060 255 V CA 2.413 64.836 62.300 0.204 0.000 1.042 255 V CB -0.975 30.927 31.823 0.133 0.000 0.650 255 V HN 0.609 nan 8.190 nan 0.000 0.450 256 F N 1.244 121.331 119.950 0.228 0.000 2.146 256 F HA -0.082 4.445 4.527 0.000 0.000 0.298 256 F C 2.255 178.260 175.800 0.341 0.000 1.096 256 F CA 1.093 59.272 58.000 0.299 0.000 1.275 256 F CB -0.715 38.525 39.000 0.401 0.000 1.008 256 F HN 0.076 nan 8.300 nan 0.000 0.480 257 A N 0.934 123.938 122.820 0.307 0.000 1.883 257 A HA -0.208 4.112 4.320 0.000 0.000 0.217 257 A C 2.445 180.071 177.584 0.069 0.000 1.186 257 A CA 1.587 53.707 52.037 0.139 0.000 0.624 257 A CB -0.854 18.255 19.000 0.182 0.000 0.822 257 A HN 0.311 nan 8.150 nan 0.000 0.444 258 R N 0.181 120.778 120.500 0.162 0.000 2.136 258 R HA -0.240 4.101 4.340 0.000 0.000 0.242 258 R C 2.144 178.496 176.300 0.086 0.000 1.131 258 R CA 2.388 58.576 56.100 0.147 0.000 0.937 258 R CB -0.944 29.504 30.300 0.247 0.000 0.863 258 R HN 0.798 nan 8.270 nan 0.000 0.435 259 E N 0.157 120.409 120.200 0.086 0.000 2.070 259 E HA -0.207 4.143 4.350 0.000 0.000 0.197 259 E C 2.122 178.704 176.600 -0.029 0.000 1.004 259 E CA 1.710 58.139 56.400 0.049 0.000 0.805 259 E CB -0.225 29.547 29.700 0.120 0.000 0.744 259 E HN 0.404 nan 8.360 nan 0.000 0.451 260 L N -0.277 120.852 121.223 -0.157 0.000 2.450 260 L HA -0.007 4.334 4.340 0.000 0.000 0.224 260 L C 1.673 178.591 176.870 0.080 0.000 1.149 260 L CA 0.636 55.420 54.840 -0.092 0.000 0.816 260 L CB -0.406 41.530 42.059 -0.205 0.000 0.932 260 L HN 0.479 nan 8.230 nan 0.000 0.449 261 G N 0.471 109.313 108.800 0.070 0.000 2.160 261 G HA2 -0.256 3.704 3.960 0.000 0.000 0.251 261 G HA3 -0.256 3.704 3.960 0.000 0.000 0.251 261 G C 0.353 175.343 174.900 0.151 0.000 1.008 261 G CA 0.283 45.449 45.100 0.110 0.000 0.724 261 G HN 0.314 nan 8.290 nan 0.000 0.514 262 V N -2.539 117.428 119.914 0.089 0.000 2.953 262 V HA 0.738 4.858 4.120 0.000 0.000 0.304 262 V C -0.016 176.098 176.094 0.033 0.000 1.073 262 V CA -0.912 61.407 62.300 0.032 0.000 1.064 262 V CB 1.297 33.081 31.823 -0.066 0.000 1.047 262 V HN 0.046 nan 8.190 nan 0.000 0.478 263 P HA 0.246 nan 4.420 nan 0.000 0.224 263 P C 0.116 177.412 177.300 -0.008 0.000 1.157 263 P CA 0.822 63.937 63.100 0.025 0.000 0.799 263 P CB 0.534 32.272 31.700 0.062 0.000 0.809 264 I N 0.052 120.617 120.570 -0.008 0.000 2.644 264 I HA 0.293 4.463 4.170 0.000 0.000 0.291 264 I C -0.976 175.108 176.117 -0.055 0.000 1.180 264 I CA -1.239 60.017 61.300 -0.073 0.000 1.040 264 I CB 2.427 40.335 38.000 -0.153 0.000 1.255 264 I HN -0.281 nan 8.210 nan 0.000 0.422 265 V N 4.571 124.448 119.914 -0.062 0.000 3.166 265 V HA 0.730 4.850 4.120 0.000 0.000 0.317 265 V C -0.338 175.748 176.094 -0.014 0.000 1.136 265 V CA -0.810 61.477 62.300 -0.021 0.000 1.035 265 V CB 1.861 33.702 31.823 0.031 0.000 1.110 265 V HN 0.894 nan 8.190 nan 0.000 0.450 266 M N 0.931 120.574 119.600 0.072 0.000 2.690 266 M HA 0.821 5.301 4.480 0.000 0.000 0.302 266 M C -0.938 175.475 176.300 0.188 0.000 1.234 266 M CA -0.529 54.856 55.300 0.143 0.000 0.853 266 M CB 2.054 34.818 32.600 0.272 0.000 1.748 266 M HN 0.973 nan 8.290 nan 0.000 0.469 267 H N -0.695 118.410 119.070 0.058 0.000 3.046 267 H HA 0.445 5.001 4.556 0.000 0.000 0.363 267 H C -2.070 173.302 175.328 0.073 0.000 1.203 267 H CA -0.635 55.438 56.048 0.041 0.000 1.169 267 H CB 1.848 31.617 29.762 0.013 0.000 1.851 267 H HN 0.769 nan 8.280 nan 0.000 0.546 268 D N 4.988 125.016 120.400 -0.621 0.000 2.485 268 D HA 0.025 4.665 4.640 0.000 0.000 0.221 268 D C 0.802 176.792 176.300 -0.517 0.000 1.112 268 D CA -0.286 53.510 54.000 -0.341 0.000 0.911 268 D CB 0.016 40.674 40.800 -0.236 0.000 1.019 268 D HN 0.620 nan 8.370 nan 0.000 0.516 269 Y N 1.040 121.133 120.300 -0.346 0.000 2.165 269 Y HA -0.187 4.363 4.550 0.000 0.000 0.286 269 Y C 1.413 177.111 175.900 -0.337 0.000 1.155 269 Y CA 1.127 59.102 58.100 -0.210 0.000 1.164 269 Y CB -0.581 37.807 38.460 -0.121 0.000 0.978 269 Y HN 0.221 nan 8.280 nan 0.000 0.513 270 L N 0.408 121.167 121.223 -0.773 0.000 2.162 270 L HA -0.064 4.276 4.340 0.000 0.000 0.205 270 L C 2.677 179.335 176.870 -0.353 0.000 1.086 270 L CA 1.552 55.979 54.840 -0.689 0.000 0.778 270 L CB -0.781 40.866 42.059 -0.687 0.000 0.928 270 L HN 0.493 nan 8.230 nan 0.000 0.446 271 T N -3.536 110.851 114.554 -0.278 0.000 2.942 271 T HA 0.001 4.351 4.350 0.000 0.000 0.265 271 T C 1.930 176.546 174.700 -0.141 0.000 1.062 271 T CA 0.748 62.742 62.100 -0.177 0.000 1.139 271 T CB -0.598 68.183 68.868 -0.144 0.000 0.883 271 T HN 0.308 nan 8.240 nan 0.000 0.468 272 G N 1.728 110.422 108.800 -0.177 0.000 2.453 272 G HA2 0.387 4.347 3.960 0.000 0.000 0.215 272 G HA3 0.387 4.347 3.960 0.000 0.000 0.215 272 G C 0.877 175.788 174.900 0.018 0.000 1.201 272 G CA 0.380 45.457 45.100 -0.038 0.000 0.784 272 G HN 1.341 nan 8.290 nan 0.000 0.545 273 G N -2.290 106.492 108.800 -0.030 0.000 2.576 273 G HA2 0.039 3.999 3.960 0.000 0.000 0.686 273 G HA3 0.039 3.999 3.960 0.000 0.000 0.686 273 G C 0.099 175.023 174.900 0.039 0.000 1.242 273 G CA -0.113 44.954 45.100 -0.056 0.000 0.819 273 G HN 0.112 nan 8.290 nan 0.000 0.655 274 F N 0.743 120.770 119.950 0.128 0.000 2.134 274 F HA -0.028 4.499 4.527 0.000 0.000 0.299 274 F C 3.170 179.009 175.800 0.063 0.000 1.097 274 F CA 2.342 60.417 58.000 0.124 0.000 1.264 274 F CB -0.713 38.350 39.000 0.106 0.000 1.001 274 F HN 0.570 nan 8.300 nan 0.000 0.479 275 T N -0.099 114.594 114.554 0.231 0.000 2.653 275 T HA -0.282 4.069 4.350 0.000 0.000 0.268 275 T C 2.225 176.958 174.700 0.054 0.000 1.035 275 T CA 1.688 63.858 62.100 0.117 0.000 1.154 275 T CB -0.696 68.227 68.868 0.092 0.000 0.862 275 T HN 0.319 nan 8.240 nan 0.000 0.441 276 A N 1.297 124.145 122.820 0.047 0.000 1.970 276 A HA -0.029 4.291 4.320 0.000 0.000 0.216 276 A C 2.246 179.752 177.584 -0.130 0.000 1.170 276 A CA 1.194 53.218 52.037 -0.021 0.000 0.645 276 A CB -0.641 18.367 19.000 0.013 0.000 0.816 276 A HN 0.540 nan 8.150 nan 0.000 0.447 277 N N -0.240 118.436 118.700 -0.040 0.000 2.069 277 N HA -0.154 4.586 4.740 0.000 0.000 0.191 277 N C 1.634 177.062 175.510 -0.138 0.000 1.031 277 N CA 2.095 55.071 53.050 -0.123 0.000 0.852 277 N CB -0.104 38.475 38.487 0.153 0.000 1.018 277 N HN 0.413 nan 8.380 nan 0.000 0.423 278 T N 0.121 114.622 114.554 -0.087 0.000 2.708 278 T HA -0.095 4.255 4.350 0.000 0.000 0.266 278 T C 1.857 176.287 174.700 -0.450 0.000 1.037 278 T CA 1.693 63.641 62.100 -0.253 0.000 1.146 278 T CB -0.716 68.061 68.868 -0.152 0.000 0.865 278 T HN 0.324 nan 8.240 nan 0.000 0.435 279 T N 2.449 116.865 114.554 -0.230 0.000 2.624 279 T HA -0.155 4.195 4.350 0.000 0.000 0.268 279 T C 1.866 176.502 174.700 -0.108 0.000 1.041 279 T CA 1.486 63.512 62.100 -0.124 0.000 1.159 279 T CB -0.573 68.255 68.868 -0.066 0.000 0.863 279 T HN 0.165 nan 8.240 nan 0.000 0.434 280 L N 0.744 121.867 121.223 -0.168 0.000 2.141 280 L HA 0.081 4.421 4.340 0.000 0.000 0.209 280 L C 2.575 179.422 176.870 -0.038 0.000 1.094 280 L CA 1.803 56.570 54.840 -0.121 0.000 0.763 280 L CB -0.932 40.962 42.059 -0.276 0.000 0.908 280 L HN 0.190 nan 8.230 nan 0.000 0.437 281 S N -1.337 114.289 115.700 -0.123 0.000 2.356 281 S HA -0.235 4.236 4.470 0.000 0.000 0.223 281 S C 2.047 176.685 174.600 0.064 0.000 1.032 281 S CA 1.274 59.436 58.200 -0.063 0.000 1.005 281 S CB -0.412 62.719 63.200 -0.115 0.000 0.867 281 S HN 0.676 nan 8.310 nan 0.000 0.449 282 H N -0.229 118.852 119.070 0.018 0.000 2.265 282 H HA -0.130 4.426 4.556 0.000 0.000 0.295 282 H C 1.852 177.205 175.328 0.040 0.000 1.084 282 H CA 1.968 58.026 56.048 0.018 0.000 1.261 282 H CB -1.404 28.372 29.762 0.023 0.000 1.360 282 H HN 0.642 nan 8.280 nan 0.000 0.487 283 Y N 0.897 121.259 120.300 0.105 0.000 2.193 283 Y HA -0.298 4.253 4.550 0.000 0.000 0.285 283 Y C 2.516 178.447 175.900 0.052 0.000 1.166 283 Y CA 1.645 59.779 58.100 0.057 0.000 1.181 283 Y CB -0.401 38.077 38.460 0.029 0.000 0.976 283 Y HN 0.207 nan 8.280 nan 0.000 0.520 284 C N -0.654 118.738 119.300 0.155 0.000 2.467 284 C HA 0.023 4.483 4.460 0.000 0.000 0.279 284 C C 2.591 177.612 174.990 0.052 0.000 1.347 284 C CA 0.672 59.754 59.018 0.106 0.000 1.748 284 C CB -1.088 26.739 27.740 0.144 0.000 1.977 284 C HN 0.489 nan 8.230 nan 0.000 0.501 285 R N 2.304 122.794 120.500 -0.016 0.000 2.080 285 R HA -0.108 4.232 4.340 0.000 0.000 0.236 285 R C 1.408 177.665 176.300 -0.072 0.000 1.137 285 R CA 1.963 58.002 56.100 -0.101 0.000 0.943 285 R CB -0.916 29.330 30.300 -0.090 0.000 0.846 285 R HN 0.400 nan 8.270 nan 0.000 0.431 286 D N -0.303 120.033 120.400 -0.107 0.000 2.350 286 D HA -0.066 4.574 4.640 0.000 0.000 0.216 286 D C 0.378 176.575 176.300 -0.172 0.000 0.968 286 D CA 0.862 54.778 54.000 -0.141 0.000 0.894 286 D CB 0.010 40.714 40.800 -0.160 0.000 0.909 286 D HN 0.351 nan 8.370 nan 0.000 0.520 287 N N -1.048 117.533 118.700 -0.198 0.000 2.143 287 N HA 0.115 4.856 4.740 0.000 0.000 0.229 287 N C 0.843 176.329 175.510 -0.041 0.000 1.294 287 N CA 0.409 53.343 53.050 -0.194 0.000 0.883 287 N CB 1.927 40.161 38.487 -0.421 0.000 1.148 287 N HN 0.076 nan 8.380 nan 0.000 0.511 288 G N 1.670 110.509 108.800 0.064 0.000 2.160 288 G HA2 -0.265 3.695 3.960 0.000 0.000 0.251 288 G HA3 -0.265 3.695 3.960 0.000 0.000 0.251 288 G C -0.156 174.757 174.900 0.021 0.000 1.008 288 G CA 0.192 45.350 45.100 0.097 0.000 0.724 288 G HN 0.230 nan 8.290 nan 0.000 0.514 289 L N 0.070 121.356 121.223 0.105 0.000 2.309 289 L HA 0.577 4.917 4.340 0.000 0.000 0.282 289 L C 1.223 178.131 176.870 0.063 0.000 1.036 289 L CA -1.132 53.734 54.840 0.044 0.000 0.806 289 L CB 1.297 43.414 42.059 0.097 0.000 1.220 289 L HN 0.031 nan 8.230 nan 0.000 0.429 290 L N 3.271 124.460 121.223 -0.057 0.000 2.473 290 L HA 0.214 4.555 4.340 0.000 0.000 0.268 290 L C -0.375 176.446 176.870 -0.082 0.000 1.215 290 L CA -0.187 54.621 54.840 -0.054 0.000 0.823 290 L CB 0.723 42.680 42.059 -0.170 0.000 1.099 290 L HN 0.401 nan 8.230 nan 0.000 0.483 291 L N 1.903 123.057 121.223 -0.116 0.000 2.406 291 L HA 0.340 4.680 4.340 0.000 0.000 0.270 291 L C -0.699 176.026 176.870 -0.241 0.000 0.982 291 L CA -0.249 54.511 54.840 -0.133 0.000 0.843 291 L CB 1.218 43.254 42.059 -0.039 0.000 1.225 291 L HN 0.502 nan 8.230 nan 0.000 0.412 292 H N 5.600 124.409 119.070 -0.435 0.000 2.562 292 H HA 0.607 5.163 4.556 0.000 0.000 0.314 292 H C -0.940 174.292 175.328 -0.159 0.000 1.079 292 H CA -0.561 55.181 56.048 -0.509 0.000 1.349 292 H CB 0.786 29.891 29.762 -1.095 0.000 1.432 292 H HN 0.559 nan 8.280 nan 0.000 0.479 293 I N 5.497 125.699 120.570 -0.614 0.000 2.377 293 I HA 0.129 4.299 4.170 0.000 0.000 0.293 293 I C 0.259 176.182 176.117 -0.324 0.000 0.987 293 I CA -0.460 60.657 61.300 -0.305 0.000 1.185 293 I CB 1.173 39.028 38.000 -0.241 0.000 1.341 293 I HN 0.736 nan 8.210 nan 0.000 0.455 294 H N 7.083 126.042 119.070 -0.186 0.000 2.467 294 H HA 0.320 4.876 4.556 0.000 0.000 0.331 294 H C 0.245 175.515 175.328 -0.096 0.000 1.120 294 H CA -0.433 55.463 56.048 -0.254 0.000 1.270 294 H CB 1.505 31.158 29.762 -0.181 0.000 1.466 294 H HN 0.577 nan 8.280 nan 0.000 0.504 295 R N 2.876 123.066 120.500 -0.517 0.000 2.609 295 R HA 0.411 4.752 4.340 0.000 0.000 0.326 295 R C -0.043 176.240 176.300 -0.028 0.000 1.090 295 R CA -0.537 55.488 56.100 -0.126 0.000 1.072 295 R CB 0.074 30.298 30.300 -0.127 0.000 1.330 295 R HN 0.349 nan 8.270 nan 0.000 0.572 296 A N 1.583 124.470 122.820 0.113 0.000 2.584 296 A HA 0.069 4.389 4.320 0.000 0.000 0.239 296 A C 0.970 178.547 177.584 -0.011 0.000 1.043 296 A CA 0.823 52.949 52.037 0.149 0.000 0.756 296 A CB -0.113 18.978 19.000 0.152 0.000 0.963 296 A HN 0.853 nan 8.150 nan 0.000 0.511 297 M N 0.396 119.976 119.600 -0.034 0.000 3.007 297 M HA -0.299 4.181 4.480 0.000 0.000 0.210 297 M C 1.028 177.252 176.300 -0.127 0.000 0.585 297 M CA 1.899 57.138 55.300 -0.101 0.000 0.804 297 M CB -1.987 30.544 32.600 -0.116 0.000 2.870 297 M HN 1.260 nan 8.290 nan 0.000 0.297 298 H N -0.936 118.057 119.070 -0.128 0.000 2.387 298 H HA 0.278 4.834 4.556 0.000 0.000 0.299 298 H C 1.744 177.023 175.328 -0.082 0.000 1.090 298 H CA 1.868 57.862 56.048 -0.091 0.000 1.332 298 H CB -0.488 29.251 29.762 -0.038 0.000 1.386 298 H HN 0.483 nan 8.280 nan 0.000 0.516 299 A N 1.231 123.472 122.820 -0.966 0.000 2.066 299 A HA -0.005 4.315 4.320 0.000 0.000 0.218 299 A C 2.496 179.907 177.584 -0.288 0.000 1.157 299 A CA 0.996 52.647 52.037 -0.642 0.000 0.670 299 A CB -0.731 17.879 19.000 -0.649 0.000 0.804 299 A HN 0.342 nan 8.150 nan 0.000 0.453 300 V N -0.051 119.730 119.914 -0.223 0.000 2.380 300 V HA -0.293 3.828 4.120 0.000 0.000 0.251 300 V C 2.235 178.273 176.094 -0.094 0.000 1.063 300 V CA 2.336 64.558 62.300 -0.129 0.000 1.055 300 V CB -0.578 31.181 31.823 -0.108 0.000 0.657 300 V HN 0.619 nan 8.190 nan 0.000 0.455 301 I N 0.435 120.948 120.570 -0.096 0.000 3.265 301 I HA -0.016 4.154 4.170 0.000 0.000 0.282 301 I C 1.717 177.811 176.117 -0.039 0.000 1.207 301 I CA 0.940 62.203 61.300 -0.061 0.000 1.449 301 I CB -0.081 37.876 38.000 -0.071 0.000 1.121 301 I HN 0.454 nan 8.210 nan 0.000 0.442 302 D N -0.262 120.102 120.400 -0.060 0.000 2.398 302 D HA -0.060 4.580 4.640 0.000 0.000 0.210 302 D C 1.907 178.170 176.300 -0.062 0.000 1.094 302 D CA 0.087 54.058 54.000 -0.049 0.000 0.839 302 D CB 0.039 40.845 40.800 0.009 0.000 0.963 302 D HN -0.071 nan 8.370 nan 0.000 0.506 303 R N 0.246 120.711 120.500 -0.060 0.000 2.093 303 R HA 0.076 4.416 4.340 0.000 0.000 0.224 303 R C 0.325 176.631 176.300 0.011 0.000 1.101 303 R CA 1.088 57.162 56.100 -0.042 0.000 0.979 303 R CB -0.220 30.043 30.300 -0.061 0.000 0.877 303 R HN 0.056 nan 8.270 nan 0.000 0.441 304 Q N 0.655 120.476 119.800 0.035 0.000 2.256 304 Q HA 0.076 4.416 4.340 0.000 0.000 0.254 304 Q C 0.225 176.284 176.000 0.098 0.000 0.916 304 Q CA -0.052 55.791 55.803 0.066 0.000 0.932 304 Q CB 1.644 30.427 28.738 0.076 0.000 1.207 304 Q HN 0.132 nan 8.270 nan 0.000 0.426 305 K N 2.775 123.235 120.400 0.100 0.000 2.127 305 K HA -0.240 4.080 4.320 0.000 0.000 0.208 305 K C 1.262 177.926 176.600 0.107 0.000 1.047 305 K CA 2.005 58.360 56.287 0.113 0.000 0.927 305 K CB 0.286 32.843 32.500 0.095 0.000 0.716 305 K HN 0.623 nan 8.250 nan 0.000 0.450 306 N N -0.933 117.832 118.700 0.108 0.000 2.368 306 N HA -0.124 4.616 4.740 0.000 0.000 0.176 306 N C -0.121 175.488 175.510 0.164 0.000 1.021 306 N CA 0.933 54.051 53.050 0.113 0.000 0.888 306 N CB 0.011 38.557 38.487 0.098 0.000 0.995 306 N HN 0.233 nan 8.380 nan 0.000 0.437 307 H N -1.015 118.112 119.070 0.096 0.000 2.934 307 H HA 0.574 5.130 4.556 0.000 0.000 0.340 307 H C 0.094 175.518 175.328 0.159 0.000 1.008 307 H CA 0.321 56.455 56.048 0.144 0.000 1.317 307 H CB 1.281 31.112 29.762 0.116 0.000 1.670 307 H HN 0.368 nan 8.280 nan 0.000 0.516 308 G N 2.974 111.783 108.800 0.016 0.000 2.286 308 G HA2 0.037 3.997 3.960 0.000 0.000 0.118 308 G HA3 0.037 3.997 3.960 0.000 0.000 0.118 308 G C -1.503 173.428 174.900 0.050 0.000 1.267 308 G CA -0.343 44.785 45.100 0.046 0.000 1.171 308 G HN 0.587 nan 8.290 nan 0.000 0.465 309 M N 0.988 120.583 119.600 -0.008 0.000 2.277 309 M HA 0.372 4.852 4.480 0.000 0.000 0.282 309 M C -0.571 175.741 176.300 0.020 0.000 1.074 309 M CA -0.749 54.542 55.300 -0.015 0.000 0.954 309 M CB 2.400 34.915 32.600 -0.142 0.000 1.672 309 M HN 0.707 nan 8.290 nan 0.000 0.471 310 H N 1.924 121.011 119.070 0.028 0.000 2.852 310 H HA 0.044 4.600 4.556 0.000 0.000 0.362 310 H C 0.050 175.429 175.328 0.085 0.000 1.122 310 H CA 1.032 57.129 56.048 0.081 0.000 1.419 310 H CB 0.873 30.683 29.762 0.080 0.000 1.401 310 H HN 0.793 nan 8.280 nan 0.000 0.609 311 F N 4.860 124.539 119.950 -0.451 0.000 2.293 311 F HA -0.121 4.406 4.527 0.000 0.000 0.300 311 F C 2.528 178.250 175.800 -0.130 0.000 1.086 311 F CA 1.174 59.016 58.000 -0.263 0.000 1.375 311 F CB -0.097 38.614 39.000 -0.481 0.000 1.045 311 F HN 0.640 nan 8.300 nan 0.000 0.516 312 R N -0.188 120.375 120.500 0.106 0.000 2.127 312 R HA -0.116 4.224 4.340 0.000 0.000 0.238 312 R C 1.808 178.071 176.300 -0.062 0.000 1.134 312 R CA 1.792 57.882 56.100 -0.017 0.000 0.975 312 R CB -1.573 28.890 30.300 0.272 0.000 0.865 312 R HN 0.293 nan 8.270 nan 0.000 0.447 313 V N 2.334 122.259 119.914 0.019 0.000 2.255 313 V HA -0.236 3.884 4.120 0.000 0.000 0.247 313 V C 2.563 178.701 176.094 0.074 0.000 1.051 313 V CA 1.867 64.202 62.300 0.058 0.000 1.018 313 V CB -0.477 31.379 31.823 0.056 0.000 0.641 313 V HN 0.288 nan 8.190 nan 0.000 0.445 314 L N -0.006 121.208 121.223 -0.015 0.000 2.131 314 L HA -0.126 4.214 4.340 0.000 0.000 0.210 314 L C 2.674 179.527 176.870 -0.028 0.000 1.092 314 L CA 1.442 56.373 54.840 0.151 0.000 0.759 314 L CB -0.840 41.318 42.059 0.166 0.000 0.903 314 L HN 0.365 nan 8.230 nan 0.000 0.435 315 A N 0.160 122.692 122.820 -0.481 0.000 1.872 315 A HA -0.154 4.166 4.320 0.000 0.000 0.214 315 A C 2.358 179.837 177.584 -0.174 0.000 1.187 315 A CA 1.224 52.975 52.037 -0.475 0.000 0.614 315 A CB -0.258 18.328 19.000 -0.690 0.000 0.826 315 A HN 0.247 nan 8.150 nan 0.000 0.442 316 K N -0.192 120.180 120.400 -0.047 0.000 2.001 316 K HA -0.177 4.143 4.320 0.000 0.000 0.214 316 K C 2.337 178.946 176.600 0.014 0.000 1.050 316 K CA 1.396 57.758 56.287 0.125 0.000 0.934 316 K CB -0.431 32.167 32.500 0.163 0.000 0.718 316 K HN 0.426 nan 8.250 nan 0.000 0.443 317 A N 2.012 124.792 122.820 -0.067 0.000 1.948 317 A HA -0.189 4.131 4.320 0.000 0.000 0.220 317 A C 2.082 179.586 177.584 -0.134 0.000 1.177 317 A CA 1.253 53.139 52.037 -0.252 0.000 0.636 317 A CB -0.664 18.075 19.000 -0.435 0.000 0.815 317 A HN 0.303 nan 8.150 nan 0.000 0.449 318 L N -0.473 120.726 121.223 -0.039 0.000 2.017 318 L HA -0.181 4.159 4.340 0.000 0.000 0.208 318 L C 2.543 179.293 176.870 -0.198 0.000 1.073 318 L CA 2.451 57.171 54.840 -0.200 0.000 0.745 318 L CB -0.814 40.908 42.059 -0.561 0.000 0.894 318 L HN 0.536 nan 8.230 nan 0.000 0.432 319 R N -0.408 119.972 120.500 -0.200 0.000 2.117 319 R HA -0.197 4.143 4.340 0.000 0.000 0.243 319 R C 2.393 178.594 176.300 -0.165 0.000 1.143 319 R CA 1.543 57.502 56.100 -0.234 0.000 0.968 319 R CB -0.136 29.910 30.300 -0.423 0.000 0.863 319 R HN 0.422 nan 8.270 nan 0.000 0.444 320 L N -0.869 120.237 121.223 -0.195 0.000 1.988 320 L HA -0.152 4.188 4.340 0.000 0.000 0.207 320 L C 2.634 179.425 176.870 -0.132 0.000 1.071 320 L CA 1.558 56.167 54.840 -0.384 0.000 0.744 320 L CB -0.738 40.704 42.059 -1.027 0.000 0.893 320 L HN 0.247 nan 8.230 nan 0.000 0.433 321 S N -0.822 114.827 115.700 -0.085 0.000 2.368 321 S HA -0.001 4.469 4.470 0.000 0.000 0.225 321 S C 0.841 175.447 174.600 0.010 0.000 1.030 321 S CA 1.106 59.342 58.200 0.060 0.000 0.999 321 S CB -0.261 63.009 63.200 0.116 0.000 0.844 321 S HN 0.639 nan 8.310 nan 0.000 0.459 322 G N -1.424 107.348 108.800 -0.046 0.000 3.162 322 G HA2 0.408 4.369 3.960 0.000 0.000 0.599 322 G HA3 0.408 4.369 3.960 0.000 0.000 0.599 322 G C -0.400 174.439 174.900 -0.100 0.000 1.335 322 G CA -0.446 44.617 45.100 -0.062 0.000 1.091 322 G HN 0.853 nan 8.290 nan 0.000 0.570 323 G N 0.548 109.275 108.800 -0.121 0.000 2.746 323 G HA2 0.598 4.558 3.960 0.000 0.000 0.297 323 G HA3 0.598 4.558 3.960 0.000 0.000 0.297 323 G C 0.022 174.871 174.900 -0.085 0.000 1.426 323 G CA -0.155 44.870 45.100 -0.125 0.000 0.989 323 G HN 0.303 nan 8.290 nan 0.000 0.520 324 D N -0.090 120.280 120.400 -0.050 0.000 2.277 324 D HA 0.033 4.673 4.640 0.000 0.000 0.208 324 D C 0.257 176.649 176.300 0.154 0.000 0.962 324 D CA 1.198 55.219 54.000 0.034 0.000 0.865 324 D CB 0.251 41.079 40.800 0.047 0.000 0.939 324 D HN 0.538 nan 8.370 nan 0.000 0.510 325 H N -0.729 118.241 119.070 -0.166 0.000 2.771 325 H HA 0.515 5.071 4.556 0.000 0.000 0.361 325 H C -0.744 174.434 175.328 -0.251 0.000 1.108 325 H CA -0.656 55.280 56.048 -0.186 0.000 1.201 325 H CB 2.703 32.350 29.762 -0.192 0.000 1.681 325 H HN -0.117 nan 8.280 nan 0.000 0.534 326 I N 2.279 122.810 120.570 -0.064 0.000 2.769 326 I HA 0.180 4.350 4.170 0.000 0.000 0.298 326 I C -0.207 175.934 176.117 0.040 0.000 1.128 326 I CA -0.662 60.604 61.300 -0.057 0.000 1.031 326 I CB 2.223 40.185 38.000 -0.064 0.000 1.235 326 I HN 0.657 nan 8.210 nan 0.000 0.423 327 H N 3.979 122.963 119.070 -0.143 0.000 2.815 327 H HA 0.093 4.649 4.556 0.000 0.000 0.350 327 H C 0.354 175.626 175.328 -0.093 0.000 1.080 327 H CA 0.389 56.347 56.048 -0.149 0.000 1.433 327 H CB 1.011 30.609 29.762 -0.273 0.000 1.432 327 H HN 0.605 nan 8.280 nan 0.000 0.592 328 S N 1.383 117.102 115.700 0.033 0.000 2.787 328 S HA 0.302 4.772 4.470 0.000 0.000 0.255 328 S C 0.820 175.564 174.600 0.240 0.000 1.051 328 S CA 0.040 58.392 58.200 0.255 0.000 1.124 328 S CB 0.953 64.398 63.200 0.409 0.000 1.104 328 S HN 1.119 nan 8.310 nan 0.000 0.623 329 G N 1.383 110.197 108.800 0.024 0.000 2.781 329 G HA2 -0.107 3.853 3.960 0.000 0.000 0.683 329 G HA3 -0.107 3.853 3.960 0.000 0.000 0.683 329 G C 0.319 175.299 174.900 0.134 0.000 1.390 329 G CA 0.240 45.370 45.100 0.051 0.000 0.850 329 G HN 1.120 nan 8.290 nan 0.000 0.557 330 T N -3.338 111.258 114.554 0.070 0.000 2.955 330 T HA 0.437 4.787 4.350 0.000 0.000 0.251 330 T C 1.827 176.589 174.700 0.102 0.000 1.002 330 T CA 1.448 63.606 62.100 0.096 0.000 0.970 330 T CB 0.370 69.159 68.868 -0.130 0.000 1.091 330 T HN 2.321 nan 8.240 nan 0.000 0.495 331 V N 0.640 120.574 119.914 0.034 0.000 0.441 331 V HA -0.330 3.790 4.120 0.000 0.000 0.092 331 V C 2.082 178.164 176.094 -0.020 0.000 2.557 331 V CA 1.882 64.181 62.300 -0.001 0.000 3.721 331 V CB -2.024 29.779 31.823 -0.034 0.000 0.992 331 V HN 0.731 nan 8.190 nan 0.000 1.042 332 V N -1.100 118.769 119.914 -0.075 0.000 3.471 332 V HA 0.652 4.772 4.120 0.000 0.000 0.258 332 V C 1.355 177.311 176.094 -0.230 0.000 1.192 332 V CA 1.488 63.724 62.300 -0.107 0.000 1.116 332 V CB 0.033 31.797 31.823 -0.099 0.000 0.792 332 V HN 0.968 nan 8.190 nan 0.000 0.459 333 G N 1.359 109.965 108.800 -0.322 0.000 2.494 333 G HA2 0.224 4.184 3.960 0.000 0.000 0.270 333 G HA3 0.224 4.184 3.960 0.000 0.000 0.270 333 G C 0.806 175.365 174.900 -0.567 0.000 1.423 333 G CA 0.101 44.916 45.100 -0.476 0.000 1.055 333 G HN 0.532 nan 8.290 nan 0.000 0.536 334 K N -1.165 118.659 120.400 -0.960 0.000 2.283 334 K HA 0.060 4.380 4.320 0.000 0.000 0.202 334 K C 0.487 176.930 176.600 -0.261 0.000 1.048 334 K CA 0.573 56.376 56.287 -0.806 0.000 0.948 334 K CB -0.306 31.784 32.500 -0.683 0.000 0.742 334 K HN 0.203 nan 8.250 nan 0.000 0.458 335 L N 1.514 122.616 121.223 -0.200 0.000 2.352 335 L HA 0.287 4.627 4.340 0.000 0.000 0.269 335 L C 0.063 176.913 176.870 -0.032 0.000 1.034 335 L CA -0.975 53.813 54.840 -0.086 0.000 0.806 335 L CB 1.511 43.531 42.059 -0.065 0.000 1.244 335 L HN 0.089 nan 8.230 nan 0.000 0.447 336 E N 0.321 120.521 120.200 -0.000 0.000 2.313 336 E HA 0.540 4.890 4.350 0.000 0.000 0.276 336 E C -0.592 176.042 176.600 0.056 0.000 1.031 336 E CA -0.290 56.132 56.400 0.037 0.000 0.857 336 E CB 1.051 30.775 29.700 0.039 0.000 1.040 336 E HN 0.720 nan 8.360 nan 0.000 0.408 337 G N 3.721 112.565 108.800 0.073 0.000 2.682 337 G HA2 0.095 4.055 3.960 0.000 0.000 0.300 337 G HA3 0.095 4.055 3.960 0.000 0.000 0.300 337 G C -1.302 173.643 174.900 0.075 0.000 1.396 337 G CA -0.693 44.474 45.100 0.110 0.000 1.104 337 G HN 0.401 nan 8.290 nan 0.000 0.587 338 E N 1.728 121.980 120.200 0.086 0.000 2.229 338 E HA 0.201 4.551 4.350 0.000 0.000 0.283 338 E C 1.393 177.984 176.600 -0.015 0.000 1.030 338 E CA -0.644 55.783 56.400 0.046 0.000 0.836 338 E CB 2.238 31.978 29.700 0.068 0.000 1.068 338 E HN 0.690 nan 8.360 nan 0.000 0.401 339 R N 2.847 123.321 120.500 -0.045 0.000 2.196 339 R HA -0.277 4.063 4.340 0.000 0.000 0.244 339 R C 0.850 177.071 176.300 -0.132 0.000 1.121 339 R CA 2.517 58.555 56.100 -0.104 0.000 0.930 339 R CB 0.040 30.291 30.300 -0.082 0.000 0.890 339 R HN 0.434 nan 8.270 nan 0.000 0.435 340 D N -0.211 120.136 120.400 -0.088 0.000 2.144 340 D HA -0.130 4.510 4.640 0.000 0.000 0.199 340 D C 1.915 178.153 176.300 -0.104 0.000 0.984 340 D CA 1.290 55.236 54.000 -0.091 0.000 0.834 340 D CB -0.125 40.643 40.800 -0.054 0.000 0.955 340 D HN 0.391 nan 8.370 nan 0.000 0.465 341 I N 0.491 121.022 120.570 -0.064 0.000 2.353 341 I HA -0.205 3.965 4.170 0.000 0.000 0.248 341 I C 2.184 178.151 176.117 -0.250 0.000 1.119 341 I CA 0.916 62.202 61.300 -0.022 0.000 1.417 341 I CB -0.164 37.925 38.000 0.148 0.000 1.078 341 I HN -0.026 nan 8.210 nan 0.000 0.421 342 T N 1.419 115.739 114.554 -0.390 0.000 2.674 342 T HA -0.131 4.219 4.350 0.000 0.000 0.265 342 T C 1.961 176.239 174.700 -0.703 0.000 1.039 342 T CA 1.265 62.866 62.100 -0.832 0.000 1.150 342 T CB -0.395 68.220 68.868 -0.421 0.000 0.864 342 T HN 0.209 nan 8.240 nan 0.000 0.427 343 L N 0.862 121.836 121.223 -0.414 0.000 2.013 343 L HA -0.109 4.232 4.340 0.000 0.000 0.212 343 L C 2.908 179.640 176.870 -0.230 0.000 1.073 343 L CA 1.466 56.126 54.840 -0.300 0.000 0.753 343 L CB -1.543 40.389 42.059 -0.211 0.000 0.890 343 L HN 0.390 nan 8.230 nan 0.000 0.432 344 G N 1.703 110.381 108.800 -0.204 0.000 2.875 344 G HA2 -0.401 3.559 3.960 0.000 0.000 0.220 344 G HA3 -0.401 3.559 3.960 0.000 0.000 0.220 344 G C 1.183 176.066 174.900 -0.029 0.000 1.293 344 G CA 1.682 46.723 45.100 -0.099 0.000 0.789 344 G HN 0.495 nan 8.290 nan 0.000 0.677 345 F N 0.278 120.292 119.950 0.107 0.000 2.293 345 F HA 0.158 4.685 4.527 0.000 0.000 0.300 345 F C 2.456 178.320 175.800 0.107 0.000 1.086 345 F CA 0.670 58.748 58.000 0.130 0.000 1.375 345 F CB -1.160 37.958 39.000 0.197 0.000 1.045 345 F HN 0.043 nan 8.300 nan 0.000 0.516 346 V N 1.406 121.324 119.914 0.007 0.000 2.332 346 V HA -0.305 3.815 4.120 0.000 0.000 0.248 346 V C 2.210 178.346 176.094 0.070 0.000 1.055 346 V CA 2.457 64.815 62.300 0.098 0.000 1.038 346 V CB -0.707 31.129 31.823 0.022 0.000 0.651 346 V HN 0.270 nan 8.190 nan 0.000 0.450 347 D N -0.127 120.291 120.400 0.031 0.000 2.123 347 D HA -0.156 4.484 4.640 0.000 0.000 0.196 347 D C 2.052 178.394 176.300 0.069 0.000 0.992 347 D CA 1.251 55.273 54.000 0.037 0.000 0.833 347 D CB -0.334 40.477 40.800 0.019 0.000 0.954 347 D HN 0.356 nan 8.370 nan 0.000 0.455 348 L N -0.123 121.174 121.223 0.124 0.000 2.187 348 L HA -0.143 4.197 4.340 0.000 0.000 0.213 348 L C 2.254 179.139 176.870 0.024 0.000 1.100 348 L CA 0.572 55.528 54.840 0.192 0.000 0.765 348 L CB -0.134 42.082 42.059 0.262 0.000 0.904 348 L HN 0.061 nan 8.230 nan 0.000 0.437 349 L N -1.571 119.644 121.223 -0.013 0.000 2.354 349 L HA 0.010 4.350 4.340 0.000 0.000 0.212 349 L C 2.516 179.254 176.870 -0.220 0.000 1.091 349 L CA 0.609 55.365 54.840 -0.139 0.000 0.828 349 L CB -0.067 41.990 42.059 -0.003 0.000 0.973 349 L HN 0.095 nan 8.230 nan 0.000 0.461 350 R N -1.170 119.253 120.500 -0.128 0.000 2.167 350 R HA 0.121 4.462 4.340 0.000 0.000 0.201 350 R C -0.096 176.139 176.300 -0.108 0.000 1.024 350 R CA 0.073 56.109 56.100 -0.106 0.000 1.053 350 R CB 0.335 30.619 30.300 -0.027 0.000 0.987 350 R HN 0.177 nan 8.270 nan 0.000 0.493 351 D N -0.060 120.302 120.400 -0.064 0.000 2.387 351 D HA 0.036 4.677 4.640 0.000 0.000 0.255 351 D C 0.071 176.418 176.300 0.078 0.000 1.081 351 D CA -0.174 53.840 54.000 0.024 0.000 0.994 351 D CB 1.289 42.138 40.800 0.081 0.000 1.127 351 D HN -0.127 nan 8.370 nan 0.000 0.513 352 D N -1.601 118.909 120.400 0.183 0.000 2.327 352 D HA -0.051 4.589 4.640 0.000 0.000 0.205 352 D C -0.737 175.842 176.300 0.466 0.000 0.989 352 D CA 0.332 54.518 54.000 0.309 0.000 0.873 352 D CB 0.330 41.253 40.800 0.205 0.000 0.955 352 D HN 0.232 nan 8.370 nan 0.000 0.515 353 Y N -0.169 120.266 120.300 0.225 0.000 2.396 353 Y HA 0.479 5.029 4.550 0.000 0.000 0.332 353 Y C -1.501 174.491 175.900 0.153 0.000 1.034 353 Y CA -0.808 57.389 58.100 0.161 0.000 1.057 353 Y CB 2.007 40.523 38.460 0.094 0.000 1.220 353 Y HN -0.307 nan 8.280 nan 0.000 0.440 354 T N 5.639 119.967 114.554 -0.376 0.000 2.949 354 T HA 0.211 4.561 4.350 0.000 0.000 0.300 354 T C -1.045 173.358 174.700 -0.495 0.000 0.988 354 T CA -0.749 61.173 62.100 -0.295 0.000 0.993 354 T CB 1.286 70.139 68.868 -0.026 0.000 0.984 354 T HN 0.659 nan 8.240 nan 0.000 0.442 355 E N 2.434 122.369 120.200 -0.441 0.000 2.354 355 E HA 0.200 4.551 4.350 0.000 0.000 0.269 355 E C 0.267 176.788 176.600 -0.130 0.000 1.036 355 E CA -0.658 55.555 56.400 -0.312 0.000 0.876 355 E CB 0.706 30.334 29.700 -0.119 0.000 1.009 355 E HN 0.437 nan 8.360 nan 0.000 0.416 356 K N 2.750 123.110 120.400 -0.067 0.000 2.578 356 K HA -0.187 4.133 4.320 0.000 0.000 0.279 356 K C -0.903 175.663 176.600 -0.056 0.000 0.983 356 K CA 0.978 57.245 56.287 -0.033 0.000 1.078 356 K CB 0.273 32.772 32.500 -0.003 0.000 0.852 356 K HN 0.419 nan 8.250 nan 0.000 0.490 357 D N 3.537 123.889 120.400 -0.081 0.000 2.474 357 D HA 0.123 4.763 4.640 0.000 0.000 0.234 357 D C 0.138 176.354 176.300 -0.140 0.000 1.323 357 D CA -0.443 53.502 54.000 -0.091 0.000 0.915 357 D CB 0.462 41.222 40.800 -0.065 0.000 1.487 357 D HN 0.513 nan 8.370 nan 0.000 0.524 358 R N 0.605 120.993 120.500 -0.186 0.000 2.189 358 R HA -0.054 4.286 4.340 0.000 0.000 0.223 358 R C 1.914 178.099 176.300 -0.192 0.000 1.092 358 R CA 1.006 56.933 56.100 -0.287 0.000 0.989 358 R CB -0.487 29.630 30.300 -0.304 0.000 0.876 358 R HN 0.472 nan 8.270 nan 0.000 0.457 359 S N 0.735 116.362 115.700 -0.122 0.000 2.419 359 S HA -0.101 4.369 4.470 0.000 0.000 0.233 359 S C 1.606 176.158 174.600 -0.080 0.000 1.016 359 S CA 0.768 58.917 58.200 -0.086 0.000 0.974 359 S CB 0.001 63.163 63.200 -0.063 0.000 0.786 359 S HN 0.282 nan 8.310 nan 0.000 0.492 360 R N 0.220 120.669 120.500 -0.086 0.000 2.507 360 R HA 0.320 4.660 4.340 0.000 0.000 0.298 360 R C 1.224 177.485 176.300 -0.064 0.000 0.999 360 R CA 0.330 56.388 56.100 -0.069 0.000 1.082 360 R CB 0.169 30.430 30.300 -0.065 0.000 1.246 360 R HN 0.542 nan 8.270 nan 0.000 0.553 361 G N 1.712 110.444 108.800 -0.114 0.000 2.153 361 G HA2 -0.279 3.681 3.960 0.000 0.000 0.252 361 G HA3 -0.279 3.681 3.960 0.000 0.000 0.252 361 G C 0.133 175.015 174.900 -0.030 0.000 0.994 361 G CA -0.067 44.964 45.100 -0.116 0.000 0.698 361 G HN 0.304 nan 8.290 nan 0.000 0.521 362 I N 0.785 121.316 120.570 -0.065 0.000 2.281 362 I HA 0.303 4.473 4.170 0.000 0.000 0.293 362 I C 1.296 177.378 176.117 -0.058 0.000 1.085 362 I CA -0.942 60.370 61.300 0.021 0.000 1.257 362 I CB 0.369 38.376 38.000 0.011 0.000 1.430 362 I HN 0.065 nan 8.210 nan 0.000 0.489 363 Y N 5.129 125.308 120.300 -0.202 0.000 2.457 363 Y HA 0.104 4.655 4.550 0.000 0.000 0.292 363 Y C 0.268 175.849 175.900 -0.532 0.000 1.125 363 Y CA 0.561 58.407 58.100 -0.423 0.000 1.254 363 Y CB -0.144 37.895 38.460 -0.702 0.000 1.012 363 Y HN 0.304 nan 8.280 nan 0.000 0.555 364 F N -1.653 118.411 119.950 0.189 0.000 2.569 364 F HA 0.358 4.885 4.527 0.000 0.000 0.312 364 F C 0.230 176.041 175.800 0.019 0.000 1.109 364 F CA -1.855 56.214 58.000 0.114 0.000 0.919 364 F CB 0.944 40.007 39.000 0.106 0.000 1.211 364 F HN -0.472 nan 8.300 nan 0.000 0.446 365 T N 2.058 116.713 114.554 0.168 0.000 2.928 365 T HA 0.219 4.569 4.350 0.000 0.000 0.305 365 T C -0.361 174.322 174.700 -0.028 0.000 1.035 365 T CA 0.168 62.265 62.100 -0.005 0.000 1.145 365 T CB 0.490 69.355 68.868 -0.006 0.000 0.963 365 T HN 0.482 nan 8.240 nan 0.000 0.545 366 Q N 2.246 121.962 119.800 -0.141 0.000 2.292 366 Q HA 0.472 4.812 4.340 0.000 0.000 0.270 366 Q C -1.244 174.634 176.000 -0.204 0.000 1.024 366 Q CA -0.381 55.316 55.803 -0.176 0.000 0.768 366 Q CB 1.418 30.081 28.738 -0.126 0.000 1.250 366 Q HN 0.579 nan 8.270 nan 0.000 0.447 367 S N 3.251 118.825 115.700 -0.210 0.000 2.549 367 S HA 0.454 4.924 4.470 0.000 0.000 0.297 367 S C -0.614 173.798 174.600 -0.313 0.000 1.115 367 S CA -0.524 57.647 58.200 -0.049 0.000 1.059 367 S CB 0.564 63.829 63.200 0.108 0.000 1.046 367 S HN 0.821 nan 8.310 nan 0.000 0.506 368 W N 0.774 122.114 121.300 0.067 0.000 2.870 368 W HA 0.240 4.901 4.660 0.000 0.000 0.358 368 W C 0.430 176.963 176.519 0.025 0.000 1.043 368 W CA -0.536 56.826 57.345 0.027 0.000 1.692 368 W CB -0.178 29.292 29.460 0.017 0.000 1.100 368 W HN 0.594 nan 8.180 nan 0.000 0.557 369 V N -0.316 119.714 119.914 0.192 0.000 5.482 369 V HA -0.389 3.731 4.120 0.000 0.000 0.262 369 V C 0.788 176.960 176.094 0.130 0.000 0.664 369 V CA 0.647 63.022 62.300 0.124 0.000 0.609 369 V CB -2.537 29.332 31.823 0.077 0.000 0.306 369 V HN 0.462 nan 8.190 nan 0.000 0.731 370 S N -1.663 114.122 115.700 0.143 0.000 3.358 370 S HA -0.241 4.229 4.470 0.000 0.000 0.309 370 S C 0.779 175.435 174.600 0.093 0.000 1.247 370 S CA 1.406 59.668 58.200 0.104 0.000 0.961 370 S CB -1.795 61.446 63.200 0.068 0.000 1.074 370 S HN 1.678 nan 8.310 nan 0.000 0.625 371 T N 3.352 117.990 114.554 0.139 0.000 2.867 371 T HA 0.210 4.561 4.350 0.000 0.000 0.290 371 T C -1.864 172.835 174.700 -0.001 0.000 1.025 371 T CA -0.294 61.862 62.100 0.094 0.000 1.146 371 T CB -0.048 68.939 68.868 0.197 0.000 1.024 371 T HN 0.140 nan 8.240 nan 0.000 0.519 372 P HA 0.291 nan 4.420 nan 0.000 0.271 372 P C 0.442 177.657 177.300 -0.142 0.000 1.216 372 P CA -0.261 62.803 63.100 -0.060 0.000 0.776 372 P CB 0.431 32.110 31.700 -0.035 0.000 0.881 373 G N 1.220 109.944 108.800 -0.128 0.000 2.507 373 G HA2 0.450 4.410 3.960 0.000 0.000 0.271 373 G HA3 0.450 4.410 3.960 0.000 0.000 0.271 373 G C -0.871 173.948 174.900 -0.136 0.000 1.189 373 G CA -0.376 44.615 45.100 -0.180 0.000 0.859 373 G HN 0.364 nan 8.290 nan 0.000 0.542 374 V N 1.479 121.297 119.914 -0.160 0.000 2.513 374 V HA 0.262 4.383 4.120 0.000 0.000 0.299 374 V C -0.158 175.891 176.094 -0.075 0.000 1.035 374 V CA -0.788 61.444 62.300 -0.113 0.000 0.889 374 V CB 1.629 33.360 31.823 -0.154 0.000 0.988 374 V HN 0.595 nan 8.190 nan 0.000 0.440 375 L N 9.164 130.346 121.223 -0.069 0.000 2.325 375 L HA 0.420 4.760 4.340 0.000 0.000 0.284 375 L C -2.004 174.784 176.870 -0.137 0.000 1.089 375 L CA -1.518 53.252 54.840 -0.117 0.000 0.836 375 L CB 0.676 42.612 42.059 -0.205 0.000 1.184 375 L HN 0.428 nan 8.230 nan 0.000 0.444 376 P HA 0.008 nan 4.420 nan 0.000 0.266 376 P C -1.081 176.082 177.300 -0.228 0.000 1.195 376 P CA 0.058 63.122 63.100 -0.061 0.000 0.768 376 P CB 0.749 32.498 31.700 0.081 0.000 0.838 377 V N 2.419 122.181 119.914 -0.252 0.000 2.409 377 V HA 0.487 4.607 4.120 0.000 0.000 0.290 377 V C 0.345 176.144 176.094 -0.491 0.000 1.017 377 V CA -0.912 61.154 62.300 -0.390 0.000 0.841 377 V CB 1.351 32.949 31.823 -0.375 0.000 1.003 377 V HN 0.699 nan 8.190 nan 0.000 0.426 378 A N 3.697 126.146 122.820 -0.618 0.000 2.309 378 A HA 0.809 5.129 4.320 0.000 0.000 0.290 378 A C 0.133 177.427 177.584 -0.482 0.000 1.206 378 A CA -0.108 51.580 52.037 -0.581 0.000 0.850 378 A CB 0.873 19.393 19.000 -0.800 0.000 1.118 378 A HN 0.872 nan 8.150 nan 0.000 0.523 379 S N 1.514 116.987 115.700 -0.379 0.000 2.533 379 S HA 0.745 5.215 4.470 0.000 0.000 0.271 379 S C -0.518 173.953 174.600 -0.215 0.000 1.143 379 S CA 0.383 58.392 58.200 -0.317 0.000 0.891 379 S CB 1.351 64.416 63.200 -0.224 0.000 1.105 379 S HN 2.574 nan 8.310 nan 0.000 0.468 380 G N 1.728 110.389 108.800 -0.231 0.000 2.949 380 G HA2 0.441 4.401 3.960 0.000 0.000 0.658 380 G HA3 0.441 4.401 3.960 0.000 0.000 0.658 380 G C 0.825 175.544 174.900 -0.301 0.000 1.194 380 G CA 0.243 45.228 45.100 -0.193 0.000 1.204 380 G HN 2.106 nan 8.290 nan 0.000 0.524 381 G N 0.437 109.080 108.800 -0.262 0.000 2.283 381 G HA2 -0.045 3.916 3.960 0.000 0.000 0.280 381 G HA3 -0.045 3.916 3.960 0.000 0.000 0.280 381 G C 0.643 175.439 174.900 -0.173 0.000 1.029 381 G CA 1.171 46.098 45.100 -0.288 0.000 0.840 381 G HN 2.219 nan 8.290 nan 0.000 0.505 382 I N -2.303 118.151 120.570 -0.193 0.000 2.676 382 I HA 0.955 5.125 4.170 0.000 0.000 0.309 382 I C 0.278 176.544 176.117 0.249 0.000 0.990 382 I CA -1.322 59.931 61.300 -0.078 0.000 1.168 382 I CB 1.656 39.438 38.000 -0.364 0.000 1.343 382 I HN 0.367 nan 8.210 nan 0.000 0.482 383 H N 0.785 120.187 119.070 0.553 0.000 2.933 383 H HA 0.410 4.966 4.556 0.000 0.000 0.310 383 H C 0.553 176.002 175.328 0.201 0.000 1.351 383 H CA -0.469 55.715 56.048 0.226 0.000 1.137 383 H CB 0.683 30.271 29.762 -0.290 0.000 1.853 383 H HN 0.365 nan 8.280 nan 0.000 0.539 384 V N -2.680 117.343 119.914 0.181 0.000 2.370 384 V HA -0.275 3.845 4.120 0.000 0.000 0.252 384 V C 1.374 177.406 176.094 -0.103 0.000 1.068 384 V CA 1.940 64.194 62.300 -0.077 0.000 1.061 384 V CB -1.292 30.386 31.823 -0.242 0.000 0.656 384 V HN 0.798 nan 8.190 nan 0.000 0.455 385 W N -0.002 121.416 121.300 0.196 0.000 2.392 385 W HA -0.022 4.638 4.660 0.000 0.000 0.279 385 W C 2.673 179.120 176.519 -0.120 0.000 1.225 385 W CA 1.325 58.683 57.345 0.022 0.000 1.233 385 W CB -0.559 28.944 29.460 0.070 0.000 1.122 385 W HN 0.378 nan 8.180 nan 0.000 0.561 386 H N -0.697 118.430 119.070 0.094 0.000 2.555 386 H HA -0.009 4.547 4.556 0.000 0.000 0.269 386 H C 1.868 177.263 175.328 0.112 0.000 0.988 386 H CA 0.995 57.082 56.048 0.064 0.000 1.178 386 H CB -0.394 29.351 29.762 -0.029 0.000 1.373 386 H HN 0.175 nan 8.280 nan 0.000 0.588 387 M N 1.540 121.258 119.600 0.198 0.000 2.073 387 M HA -0.093 4.388 4.480 0.000 0.000 0.258 387 M C -0.863 175.523 176.300 0.143 0.000 1.070 387 M CA 1.660 57.057 55.300 0.162 0.000 1.103 387 M CB -0.945 31.686 32.600 0.052 0.000 1.321 387 M HN 0.079 nan 8.290 nan 0.000 0.405 388 P HA -0.114 nan 4.420 nan 0.000 0.215 388 P C 1.107 178.477 177.300 0.117 0.000 1.157 388 P CA 2.312 65.476 63.100 0.108 0.000 0.868 388 P CB -0.280 31.485 31.700 0.108 0.000 0.788 389 A N -0.955 121.947 122.820 0.138 0.000 1.898 389 A HA -0.145 4.175 4.320 0.000 0.000 0.216 389 A C 2.198 179.859 177.584 0.128 0.000 1.181 389 A CA 1.358 53.467 52.037 0.119 0.000 0.620 389 A CB -1.641 17.445 19.000 0.143 0.000 0.819 389 A HN 0.088 nan 8.150 nan 0.000 0.442 390 L N -0.746 120.590 121.223 0.187 0.000 2.017 390 L HA -0.181 4.159 4.340 0.000 0.000 0.208 390 L C 2.830 179.870 176.870 0.283 0.000 1.073 390 L CA 1.856 56.864 54.840 0.280 0.000 0.745 390 L CB -1.065 41.127 42.059 0.222 0.000 0.894 390 L HN 0.328 nan 8.230 nan 0.000 0.432 391 T N -1.020 113.642 114.554 0.181 0.000 2.652 391 T HA -0.237 4.113 4.350 0.000 0.000 0.267 391 T C 1.851 176.618 174.700 0.113 0.000 1.039 391 T CA 1.500 63.685 62.100 0.142 0.000 1.153 391 T CB -0.234 68.695 68.868 0.102 0.000 0.863 391 T HN 0.324 nan 8.240 nan 0.000 0.428 392 E N 0.725 120.974 120.200 0.082 0.000 2.118 392 E HA -0.123 4.227 4.350 0.000 0.000 0.195 392 E C 2.162 178.759 176.600 -0.004 0.000 0.992 392 E CA 1.025 57.448 56.400 0.040 0.000 0.804 392 E CB -0.229 29.490 29.700 0.033 0.000 0.741 392 E HN 0.520 nan 8.360 nan 0.000 0.458 393 I N -0.615 119.934 120.570 -0.034 0.000 2.206 393 I HA -0.221 3.950 4.170 0.000 0.000 0.239 393 I C 2.052 177.990 176.117 -0.298 0.000 1.078 393 I CA 0.985 62.136 61.300 -0.248 0.000 1.367 393 I CB -0.272 37.442 38.000 -0.476 0.000 1.078 393 I HN 0.018 nan 8.210 nan 0.000 0.413 394 F N 0.665 120.602 119.950 -0.021 0.000 2.473 394 F HA 0.277 4.804 4.527 0.000 0.000 0.294 394 F C 1.590 177.384 175.800 -0.010 0.000 1.103 394 F CA 0.656 58.642 58.000 -0.023 0.000 1.442 394 F CB -0.723 38.261 39.000 -0.028 0.000 1.097 394 F HN 0.194 nan 8.300 nan 0.000 0.547 395 G N 0.650 109.553 108.800 0.172 0.000 2.698 395 G HA2 -0.296 3.664 3.960 0.000 0.000 0.233 395 G HA3 -0.296 3.664 3.960 0.000 0.000 0.233 395 G C 0.227 175.189 174.900 0.104 0.000 1.352 395 G CA 0.071 45.235 45.100 0.108 0.000 0.879 395 G HN 0.142 nan 8.290 nan 0.000 0.567 396 D N 0.553 120.999 120.400 0.076 0.000 2.117 396 D HA 0.026 4.667 4.640 0.000 0.000 0.198 396 D C 1.165 177.498 176.300 0.055 0.000 0.982 396 D CA 1.423 55.462 54.000 0.065 0.000 0.828 396 D CB -0.187 40.651 40.800 0.064 0.000 0.967 396 D HN 0.420 nan 8.370 nan 0.000 0.464 397 D N 0.758 121.192 120.400 0.057 0.000 2.597 397 D HA 0.108 4.748 4.640 0.000 0.000 0.228 397 D C -0.016 176.296 176.300 0.020 0.000 1.120 397 D CA 0.191 54.213 54.000 0.036 0.000 1.083 397 D CB -0.343 40.479 40.800 0.037 0.000 1.116 397 D HN 0.049 nan 8.370 nan 0.000 0.487 398 S N -1.384 114.305 115.700 -0.019 0.000 2.570 398 S HA 0.581 5.051 4.470 0.000 0.000 0.270 398 S C -0.835 173.687 174.600 -0.129 0.000 1.149 398 S CA -0.948 57.185 58.200 -0.110 0.000 0.837 398 S CB 1.868 64.987 63.200 -0.134 0.000 1.124 398 S HN -0.070 nan 8.310 nan 0.000 0.465 399 V N 2.012 121.802 119.914 -0.206 0.000 2.417 399 V HA 0.502 4.622 4.120 0.000 0.000 0.291 399 V C -0.674 175.322 176.094 -0.164 0.000 1.024 399 V CA -0.607 61.629 62.300 -0.107 0.000 0.861 399 V CB 1.051 32.816 31.823 -0.097 0.000 0.985 399 V HN 0.809 nan 8.190 nan 0.000 0.436 400 L N 5.136 126.317 121.223 -0.070 0.000 2.307 400 L HA 0.625 4.965 4.340 0.000 0.000 0.284 400 L C -0.144 176.674 176.870 -0.087 0.000 1.023 400 L CA -0.312 54.443 54.840 -0.142 0.000 0.810 400 L CB 1.393 43.475 42.059 0.039 0.000 1.231 400 L HN 0.562 nan 8.230 nan 0.000 0.423 401 Q N 3.051 122.615 119.800 -0.394 0.000 2.321 401 Q HA 0.502 4.842 4.340 0.000 0.000 0.270 401 Q C -1.639 174.099 176.000 -0.436 0.000 1.032 401 Q CA -0.460 55.212 55.803 -0.218 0.000 0.784 401 Q CB 2.715 31.349 28.738 -0.173 0.000 1.264 401 Q HN 0.447 nan 8.270 nan 0.000 0.448 402 F N 1.041 120.956 119.950 -0.057 0.000 2.691 402 F HA 0.321 4.849 4.527 0.000 0.000 0.371 402 F C 0.816 176.589 175.800 -0.044 0.000 1.159 402 F CA -0.547 57.417 58.000 -0.060 0.000 1.174 402 F CB 1.275 40.240 39.000 -0.058 0.000 1.419 402 F HN 0.742 nan 8.300 nan 0.000 0.514 403 G N 1.319 110.157 108.800 0.064 0.000 2.658 403 G HA2 0.038 3.998 3.960 0.000 0.000 0.217 403 G HA3 0.038 3.998 3.960 0.000 0.000 0.217 403 G C 1.807 176.754 174.900 0.079 0.000 1.319 403 G CA 0.632 45.764 45.100 0.054 0.000 0.885 403 G HN 0.701 nan 8.290 nan 0.000 0.553 404 G N 0.770 109.612 108.800 0.070 0.000 2.475 404 G HA2 -0.002 3.959 3.960 0.000 0.000 0.220 404 G HA3 -0.002 3.959 3.960 0.000 0.000 0.220 404 G C 1.750 176.715 174.900 0.109 0.000 1.125 404 G CA 1.459 46.624 45.100 0.110 0.000 0.755 404 G HN 0.731 nan 8.290 nan 0.000 0.565 405 G N -0.478 108.335 108.800 0.020 0.000 2.501 405 G HA2 -0.051 3.910 3.960 0.000 0.000 0.220 405 G HA3 -0.051 3.910 3.960 0.000 0.000 0.220 405 G C 1.613 176.584 174.900 0.118 0.000 1.114 405 G CA 1.777 46.840 45.100 -0.061 0.000 0.757 405 G HN 0.444 nan 8.290 nan 0.000 0.559 406 T N -0.099 114.556 114.554 0.167 0.000 3.087 406 T HA 0.133 4.483 4.350 0.000 0.000 0.237 406 T C 1.816 176.616 174.700 0.167 0.000 0.990 406 T CA -0.063 62.119 62.100 0.138 0.000 1.160 406 T CB 0.028 68.939 68.868 0.072 0.000 0.923 406 T HN 0.046 nan 8.240 nan 0.000 0.442 407 L N 1.512 122.822 121.223 0.146 0.000 2.599 407 L HA 0.345 4.685 4.340 0.000 0.000 0.230 407 L C 2.108 179.092 176.870 0.190 0.000 1.141 407 L CA 0.599 55.518 54.840 0.131 0.000 0.877 407 L CB -0.254 41.849 42.059 0.073 0.000 1.009 407 L HN 0.360 nan 8.230 nan 0.000 0.447 408 G N -3.300 105.682 108.800 0.303 0.000 3.020 408 G HA2 -0.069 3.891 3.960 0.000 0.000 0.217 408 G HA3 -0.069 3.891 3.960 0.000 0.000 0.217 408 G C 0.616 175.708 174.900 0.320 0.000 1.144 408 G CA -0.302 45.017 45.100 0.365 0.000 0.760 408 G HN 0.292 nan 8.290 nan 0.000 0.548 409 H N 2.181 121.406 119.070 0.259 0.000 3.115 409 H HA -0.014 4.543 4.556 0.000 0.000 0.324 409 H C -0.892 174.409 175.328 -0.044 0.000 1.007 409 H CA -0.352 55.690 56.048 -0.010 0.000 1.385 409 H CB 1.785 31.552 29.762 0.007 0.000 1.351 409 H HN 0.080 nan 8.280 nan 0.000 0.592 410 P HA -0.132 nan 4.420 nan 0.000 0.222 410 P C 0.723 178.226 177.300 0.338 0.000 1.147 410 P CA 1.120 64.197 63.100 -0.039 0.000 0.790 410 P CB 0.107 31.703 31.700 -0.172 0.000 0.780 411 W N 0.340 121.784 121.300 0.241 0.000 3.220 411 W HA 0.499 5.159 4.660 0.000 0.000 0.328 411 W C 1.121 177.713 176.519 0.120 0.000 1.205 411 W CA 0.465 57.918 57.345 0.179 0.000 1.773 411 W CB -0.540 29.035 29.460 0.193 0.000 1.086 411 W HN 0.073 nan 8.180 nan 0.000 0.622 412 G N 0.680 109.675 108.800 0.326 0.000 2.422 412 G HA2 -0.264 3.696 3.960 0.000 0.000 0.607 412 G HA3 -0.264 3.696 3.960 0.000 0.000 0.607 412 G C 0.575 175.520 174.900 0.075 0.000 1.270 412 G CA -0.202 44.995 45.100 0.160 0.000 0.992 412 G HN -0.076 nan 8.290 nan 0.000 0.499 413 N N -0.023 118.693 118.700 0.028 0.000 2.106 413 N HA 0.026 4.766 4.740 0.000 0.000 0.188 413 N C 2.731 178.194 175.510 -0.079 0.000 1.029 413 N CA 2.493 55.530 53.050 -0.021 0.000 0.848 413 N CB -0.681 37.787 38.487 -0.031 0.000 1.007 413 N HN 1.055 nan 8.380 nan 0.000 0.423 414 A N 1.422 124.192 122.820 -0.083 0.000 1.877 414 A HA -0.056 4.265 4.320 0.000 0.000 0.216 414 A C -0.227 177.275 177.584 -0.136 0.000 1.186 414 A CA 1.386 53.354 52.037 -0.116 0.000 0.620 414 A CB -1.495 17.440 19.000 -0.108 0.000 0.822 414 A HN 0.235 nan 8.150 nan 0.000 0.443 415 P HA -0.047 nan 4.420 nan 0.000 0.216 415 P C 1.801 178.701 177.300 -0.667 0.000 1.153 415 P CA 1.606 64.523 63.100 -0.305 0.000 0.844 415 P CB -0.400 31.224 31.700 -0.126 0.000 0.787 416 G N 0.582 108.990 108.800 -0.654 0.000 2.491 416 G HA2 -0.326 3.634 3.960 0.000 0.000 0.218 416 G HA3 -0.326 3.634 3.960 0.000 0.000 0.218 416 G C 1.702 176.456 174.900 -0.244 0.000 1.180 416 G CA 1.301 46.159 45.100 -0.404 0.000 0.774 416 G HN 0.320 nan 8.290 nan 0.000 0.562 417 A N 0.092 122.800 122.820 -0.186 0.000 1.892 417 A HA -0.039 4.281 4.320 0.000 0.000 0.218 417 A C 2.655 180.135 177.584 -0.174 0.000 1.188 417 A CA 2.363 54.308 52.037 -0.154 0.000 0.631 417 A CB -0.850 18.076 19.000 -0.123 0.000 0.822 417 A HN 0.380 nan 8.150 nan 0.000 0.447 418 V N -0.117 119.687 119.914 -0.184 0.000 2.287 418 V HA -0.286 3.834 4.120 0.000 0.000 0.248 418 V C 3.036 179.016 176.094 -0.190 0.000 1.053 418 V CA 2.094 64.300 62.300 -0.157 0.000 1.027 418 V CB -1.480 30.268 31.823 -0.125 0.000 0.646 418 V HN 0.640 nan 8.190 nan 0.000 0.447 419 A N 0.111 122.780 122.820 -0.252 0.000 1.978 419 A HA -0.288 4.032 4.320 0.000 0.000 0.220 419 A C 2.068 179.501 177.584 -0.251 0.000 1.170 419 A CA 2.392 54.283 52.037 -0.242 0.000 0.636 419 A CB -0.874 18.017 19.000 -0.183 0.000 0.810 419 A HN 0.705 nan 8.150 nan 0.000 0.448 420 N N -1.375 117.156 118.700 -0.280 0.000 2.171 420 N HA -0.140 4.600 4.740 0.000 0.000 0.184 420 N C 1.994 177.337 175.510 -0.278 0.000 1.021 420 N CA 1.232 54.039 53.050 -0.405 0.000 0.854 420 N CB -0.085 38.086 38.487 -0.527 0.000 0.994 420 N HN 0.463 nan 8.380 nan 0.000 0.426 421 R N 0.938 121.327 120.500 -0.185 0.000 2.090 421 R HA 0.046 4.386 4.340 0.000 0.000 0.228 421 R C 1.630 177.892 176.300 -0.063 0.000 1.110 421 R CA 0.929 56.966 56.100 -0.106 0.000 0.973 421 R CB -0.526 29.724 30.300 -0.083 0.000 0.869 421 R HN -0.015 nan 8.270 nan 0.000 0.440 422 V N 0.975 120.841 119.914 -0.081 0.000 2.358 422 V HA -0.123 3.997 4.120 0.000 0.000 0.246 422 V C 2.360 178.412 176.094 -0.069 0.000 1.047 422 V CA 1.818 64.097 62.300 -0.035 0.000 1.035 422 V CB -0.900 30.849 31.823 -0.123 0.000 0.658 422 V HN 0.530 nan 8.190 nan 0.000 0.452 423 A N -0.237 122.489 122.820 -0.157 0.000 1.940 423 A HA -0.221 4.099 4.320 0.000 0.000 0.219 423 A C 2.174 179.718 177.584 -0.068 0.000 1.176 423 A CA 2.238 54.185 52.037 -0.150 0.000 0.631 423 A CB -0.511 18.357 19.000 -0.220 0.000 0.814 423 A HN 0.477 nan 8.150 nan 0.000 0.446 424 L N -0.322 120.868 121.223 -0.056 0.000 2.044 424 L HA -0.066 4.274 4.340 0.000 0.000 0.205 424 L C 2.233 179.116 176.870 0.022 0.000 1.075 424 L CA 2.197 57.034 54.840 -0.006 0.000 0.747 424 L CB -0.478 41.577 42.059 -0.006 0.000 0.903 424 L HN 0.472 nan 8.230 nan 0.000 0.435 425 E N -0.271 119.945 120.200 0.028 0.000 2.106 425 E HA -0.193 4.158 4.350 0.000 0.000 0.192 425 E C 2.159 178.804 176.600 0.075 0.000 0.984 425 E CA 0.972 57.402 56.400 0.051 0.000 0.806 425 E CB -0.280 29.455 29.700 0.059 0.000 0.750 425 E HN 0.653 nan 8.360 nan 0.000 0.458 426 A N 0.893 123.775 122.820 0.104 0.000 1.908 426 A HA -0.218 4.102 4.320 0.000 0.000 0.218 426 A C 2.419 180.046 177.584 0.072 0.000 1.181 426 A CA 1.321 53.430 52.037 0.120 0.000 0.627 426 A CB -0.856 18.234 19.000 0.149 0.000 0.818 426 A HN 0.356 nan 8.150 nan 0.000 0.445 427 C N -1.446 117.885 119.300 0.051 0.000 2.457 427 C HA -0.009 4.451 4.460 0.000 0.000 0.278 427 C C 2.729 177.750 174.990 0.051 0.000 1.309 427 C CA 0.824 59.873 59.018 0.051 0.000 1.735 427 C CB -1.172 26.598 27.740 0.051 0.000 1.992 427 C HN 0.463 nan 8.230 nan 0.000 0.493 428 V N 0.706 120.650 119.914 0.049 0.000 2.343 428 V HA -0.299 3.822 4.120 0.000 0.000 0.247 428 V C 2.501 178.619 176.094 0.040 0.000 1.051 428 V CA 2.286 64.613 62.300 0.045 0.000 1.036 428 V CB -0.839 31.010 31.823 0.043 0.000 0.654 428 V HN 0.637 nan 8.190 nan 0.000 0.451 429 Q N -0.334 119.491 119.800 0.042 0.000 2.046 429 Q HA -0.169 4.171 4.340 0.000 0.000 0.200 429 Q C 2.280 178.300 176.000 0.034 0.000 0.975 429 Q CA 1.812 57.635 55.803 0.033 0.000 0.836 429 Q CB -0.271 28.486 28.738 0.032 0.000 0.896 429 Q HN 0.615 nan 8.270 nan 0.000 0.428 430 A N 1.462 124.308 122.820 0.044 0.000 1.865 430 A HA -0.252 4.068 4.320 0.000 0.000 0.217 430 A C 2.133 179.740 177.584 0.037 0.000 1.191 430 A CA 1.671 53.733 52.037 0.043 0.000 0.623 430 A CB -0.862 18.169 19.000 0.052 0.000 0.826 430 A HN 0.479 nan 8.150 nan 0.000 0.444 431 R N 0.096 120.619 120.500 0.039 0.000 2.133 431 R HA -0.244 4.096 4.340 0.000 0.000 0.245 431 R C 1.900 178.218 176.300 0.029 0.000 1.137 431 R CA 2.348 58.469 56.100 0.035 0.000 0.947 431 R CB -0.587 29.737 30.300 0.039 0.000 0.865 431 R HN 0.766 nan 8.270 nan 0.000 0.437 432 N N -0.406 118.311 118.700 0.028 0.000 2.331 432 N HA -0.115 4.625 4.740 0.000 0.000 0.180 432 N C 1.215 176.736 175.510 0.017 0.000 1.019 432 N CA 0.944 54.007 53.050 0.022 0.000 0.881 432 N CB 0.056 38.556 38.487 0.021 0.000 0.972 432 N HN 0.444 nan 8.380 nan 0.000 0.435 433 E N -0.036 120.175 120.200 0.018 0.000 2.347 433 E HA -0.012 4.338 4.350 0.000 0.000 0.196 433 E C 0.951 177.561 176.600 0.016 0.000 1.008 433 E CA 0.465 56.875 56.400 0.015 0.000 0.852 433 E CB 0.188 29.897 29.700 0.016 0.000 0.783 433 E HN 0.470 nan 8.360 nan 0.000 0.505 434 G N 1.451 110.262 108.800 0.019 0.000 2.148 434 G HA2 -0.187 3.773 3.960 0.000 0.000 0.157 434 G HA3 -0.187 3.773 3.960 0.000 0.000 0.157 434 G C 0.078 174.990 174.900 0.021 0.000 1.012 434 G CA -0.527 44.584 45.100 0.018 0.000 0.677 434 G HN -0.001 nan 8.290 nan 0.000 0.506 435 R N 0.280 120.795 120.500 0.025 0.000 2.543 435 R HA 0.429 4.769 4.340 0.000 0.000 0.268 435 R C -0.911 175.407 176.300 0.030 0.000 1.067 435 R CA -0.600 55.517 56.100 0.029 0.000 1.142 435 R CB 0.780 31.100 30.300 0.034 0.000 1.110 435 R HN 0.205 nan 8.270 nan 0.000 0.549 436 D N 2.064 122.483 120.400 0.031 0.000 2.329 436 D HA 0.088 4.728 4.640 0.000 0.000 0.232 436 D C 0.988 177.311 176.300 0.038 0.000 1.088 436 D CA -0.193 53.825 54.000 0.030 0.000 0.835 436 D CB 1.171 41.986 40.800 0.025 0.000 1.078 436 D HN 0.385 nan 8.370 nan 0.000 0.495 437 L N 3.095 124.342 121.223 0.040 0.000 2.156 437 L HA -0.086 4.254 4.340 0.000 0.000 0.208 437 L C 2.361 179.263 176.870 0.053 0.000 1.095 437 L CA 0.932 55.802 54.840 0.050 0.000 0.770 437 L CB -0.096 41.995 42.059 0.053 0.000 0.914 437 L HN 0.449 nan 8.230 nan 0.000 0.439 438 A N -0.242 122.603 122.820 0.041 0.000 1.930 438 A HA -0.125 4.195 4.320 0.000 0.000 0.215 438 A C 2.381 179.989 177.584 0.041 0.000 1.176 438 A CA 0.969 53.029 52.037 0.040 0.000 0.632 438 A CB -0.262 18.753 19.000 0.025 0.000 0.819 438 A HN 0.255 nan 8.150 nan 0.000 0.445 439 R N -0.488 120.033 120.500 0.036 0.000 2.075 439 R HA -0.003 4.337 4.340 0.000 0.000 0.226 439 R C 0.976 177.303 176.300 0.045 0.000 1.114 439 R CA 1.448 57.569 56.100 0.035 0.000 0.972 439 R CB -0.040 30.276 30.300 0.028 0.000 0.869 439 R HN 0.579 nan 8.270 nan 0.000 0.437 440 E N -0.952 119.278 120.200 0.051 0.000 2.548 440 E HA 0.109 4.459 4.350 0.000 0.000 0.206 440 E C 1.259 177.905 176.600 0.076 0.000 1.005 440 E CA -0.085 56.350 56.400 0.058 0.000 0.951 440 E CB 1.134 30.865 29.700 0.051 0.000 1.035 440 E HN 0.364 nan 8.360 nan 0.000 0.470 441 G N 2.119 110.971 108.800 0.087 0.000 2.459 441 G HA2 -0.310 3.650 3.960 0.000 0.000 0.217 441 G HA3 -0.310 3.650 3.960 0.000 0.000 0.217 441 G C 1.484 176.476 174.900 0.154 0.000 1.183 441 G CA 0.797 45.963 45.100 0.110 0.000 0.776 441 G HN 0.145 nan 8.290 nan 0.000 0.552 442 N N 0.389 119.206 118.700 0.195 0.000 2.104 442 N HA -0.092 4.649 4.740 0.000 0.000 0.190 442 N C 2.419 178.087 175.510 0.263 0.000 1.024 442 N CA 1.740 54.980 53.050 0.317 0.000 0.853 442 N CB -0.804 37.806 38.487 0.205 0.000 1.008 442 N HN 0.281 nan 8.380 nan 0.000 0.424 443 T N 1.088 115.735 114.554 0.155 0.000 2.746 443 T HA -0.017 4.333 4.350 0.000 0.000 0.267 443 T C 2.060 176.816 174.700 0.094 0.000 1.039 443 T CA 0.769 62.938 62.100 0.114 0.000 1.142 443 T CB -0.205 68.712 68.868 0.082 0.000 0.866 443 T HN 0.192 nan 8.240 nan 0.000 0.444 444 I N 0.647 121.268 120.570 0.085 0.000 2.202 444 I HA -0.140 4.030 4.170 0.000 0.000 0.242 444 I C 2.169 178.303 176.117 0.029 0.000 1.091 444 I CA 0.748 62.087 61.300 0.065 0.000 1.368 444 I CB -0.385 37.653 38.000 0.063 0.000 1.058 444 I HN 0.146 nan 8.210 nan 0.000 0.410 445 I N 0.920 121.484 120.570 -0.010 0.000 2.087 445 I HA -0.337 3.834 4.170 0.000 0.000 0.240 445 I C 2.670 178.697 176.117 -0.151 0.000 1.054 445 I CA 1.753 62.959 61.300 -0.158 0.000 1.311 445 I CB -1.407 36.420 38.000 -0.288 0.000 1.024 445 I HN 0.258 nan 8.210 nan 0.000 0.402 446 R N 0.331 120.829 120.500 -0.004 0.000 2.083 446 R HA -0.206 4.134 4.340 0.000 0.000 0.237 446 R C 2.197 178.498 176.300 0.002 0.000 1.137 446 R CA 1.695 57.824 56.100 0.048 0.000 0.951 446 R CB -0.345 30.040 30.300 0.142 0.000 0.851 446 R HN 0.513 nan 8.270 nan 0.000 0.434 447 E N 0.105 120.328 120.200 0.038 0.000 2.085 447 E HA -0.191 4.159 4.350 0.000 0.000 0.194 447 E C 1.874 178.514 176.600 0.067 0.000 0.994 447 E CA 1.329 57.776 56.400 0.079 0.000 0.801 447 E CB -0.094 29.680 29.700 0.123 0.000 0.743 447 E HN 0.379 nan 8.360 nan 0.000 0.453 448 A N 0.944 123.743 122.820 -0.035 0.000 2.119 448 A HA -0.101 4.219 4.320 0.000 0.000 0.216 448 A C 2.298 179.390 177.584 -0.821 0.000 1.152 448 A CA 1.464 53.310 52.037 -0.318 0.000 0.708 448 A CB -0.669 18.202 19.000 -0.216 0.000 0.805 448 A HN 0.372 nan 8.150 nan 0.000 0.460 449 T N -2.083 112.202 114.554 -0.448 0.000 2.995 449 T HA -0.075 4.275 4.350 0.000 0.000 0.269 449 T C 1.627 176.146 174.700 -0.302 0.000 1.091 449 T CA 1.088 62.947 62.100 -0.402 0.000 1.128 449 T CB -0.173 68.555 68.868 -0.234 0.000 0.891 449 T HN 0.311 nan 8.240 nan 0.000 0.492 450 K N 1.251 121.537 120.400 -0.191 0.000 2.152 450 K HA -0.058 4.262 4.320 0.000 0.000 0.206 450 K C 2.039 178.664 176.600 0.041 0.000 1.048 450 K CA 1.421 57.697 56.287 -0.019 0.000 0.933 450 K CB -0.425 32.130 32.500 0.091 0.000 0.721 450 K HN 0.854 nan 8.250 nan 0.000 0.447 451 W N -0.434 120.865 121.300 -0.002 0.000 2.975 451 W HA 0.358 5.018 4.660 0.000 0.000 0.316 451 W C 0.038 176.557 176.519 0.001 0.000 1.131 451 W CA -0.453 56.894 57.345 0.002 0.000 1.624 451 W CB -0.110 29.349 29.460 -0.001 0.000 1.038 451 W HN -0.154 nan 8.180 nan 0.000 0.571 452 S N 3.692 119.038 115.700 -0.590 0.000 2.601 452 S HA 0.366 4.836 4.470 0.000 0.000 0.312 452 S C -1.296 173.138 174.600 -0.277 0.000 1.107 452 S CA -1.408 56.523 58.200 -0.448 0.000 1.129 452 S CB 1.410 64.129 63.200 -0.801 0.000 0.982 452 S HN -0.226 nan 8.310 nan 0.000 0.469 453 P HA 0.033 nan 4.420 nan 0.000 0.225 453 P C 0.773 177.935 177.300 -0.229 0.000 1.156 453 P CA 0.695 63.783 63.100 -0.021 0.000 0.787 453 P CB 0.277 32.107 31.700 0.218 0.000 0.802 454 E N 0.091 120.168 120.200 -0.205 0.000 2.058 454 E HA -0.165 4.185 4.350 0.000 0.000 0.194 454 E C 1.940 178.364 176.600 -0.294 0.000 0.997 454 E CA 0.901 57.093 56.400 -0.347 0.000 0.801 454 E CB -1.242 28.329 29.700 -0.215 0.000 0.746 454 E HN 0.113 nan 8.360 nan 0.000 0.450 455 L N 0.625 121.664 121.223 -0.307 0.000 2.027 455 L HA -0.054 4.286 4.340 0.000 0.000 0.206 455 L C 2.099 178.782 176.870 -0.312 0.000 1.074 455 L CA 2.108 56.758 54.840 -0.316 0.000 0.745 455 L CB -1.058 40.754 42.059 -0.411 0.000 0.898 455 L HN 0.122 nan 8.230 nan 0.000 0.433 456 A N -0.262 122.375 122.820 -0.306 0.000 1.903 456 A HA -0.258 4.062 4.320 0.000 0.000 0.219 456 A C 2.464 179.879 177.584 -0.281 0.000 1.191 456 A CA 2.501 54.395 52.037 -0.239 0.000 0.638 456 A CB -1.345 17.554 19.000 -0.168 0.000 0.823 456 A HN 0.626 nan 8.150 nan 0.000 0.451 457 A N -0.496 122.057 122.820 -0.444 0.000 1.902 457 A HA 0.184 4.504 4.320 0.000 0.000 0.217 457 A C 2.537 179.728 177.584 -0.656 0.000 1.181 457 A CA 2.177 53.829 52.037 -0.641 0.000 0.623 457 A CB -1.062 17.195 19.000 -1.238 0.000 0.818 457 A HN 1.136 nan 8.150 nan 0.000 0.443 458 A N -0.764 121.741 122.820 -0.524 0.000 1.877 458 A HA -0.183 4.137 4.320 0.000 0.000 0.216 458 A C 2.322 179.820 177.584 -0.145 0.000 1.186 458 A CA 1.736 53.592 52.037 -0.301 0.000 0.620 458 A CB -1.356 17.719 19.000 0.125 0.000 0.822 458 A HN 0.622 nan 8.150 nan 0.000 0.443 459 C N -0.177 119.028 119.300 -0.159 0.000 2.413 459 C HA -0.113 4.347 4.460 0.000 0.000 0.276 459 C C 2.628 177.749 174.990 0.218 0.000 1.248 459 C CA 1.133 60.178 59.018 0.045 0.000 1.742 459 C CB -1.493 26.212 27.740 -0.058 0.000 2.017 459 C HN 0.734 nan 8.230 nan 0.000 0.481 460 E N 0.863 121.046 120.200 -0.028 0.000 2.058 460 E HA -0.184 4.166 4.350 0.000 0.000 0.194 460 E C 2.090 178.595 176.600 -0.157 0.000 0.997 460 E CA 1.428 57.791 56.400 -0.061 0.000 0.801 460 E CB -0.410 29.213 29.700 -0.127 0.000 0.746 460 E HN 0.465 nan 8.360 nan 0.000 0.450 461 V N 0.428 120.112 119.914 -0.383 0.000 2.324 461 V HA -0.211 3.909 4.120 0.000 0.000 0.250 461 V C 1.210 177.001 176.094 -0.505 0.000 1.060 461 V CA 1.418 63.347 62.300 -0.619 0.000 1.042 461 V CB -0.342 30.761 31.823 -1.201 0.000 0.650 461 V HN 0.453 nan 8.190 nan 0.000 0.450 462 W N -0.345 120.898 121.300 -0.096 0.000 2.771 462 W HA 0.351 5.011 4.660 0.000 0.000 0.412 462 W C 1.724 178.148 176.519 -0.158 0.000 0.965 462 W CA -0.897 56.311 57.345 -0.228 0.000 2.045 462 W CB -0.184 28.909 29.460 -0.610 0.000 1.176 462 W HN 0.280 nan 8.180 nan 0.000 0.634 463 K N 1.261 121.701 120.400 0.066 0.000 2.020 463 K HA -0.212 4.108 4.320 0.000 0.000 0.212 463 K C 1.449 177.871 176.600 -0.297 0.000 1.050 463 K CA 1.799 57.947 56.287 -0.232 0.000 0.929 463 K CB 0.262 32.663 32.500 -0.166 0.000 0.714 463 K HN -0.164 nan 8.250 nan 0.000 0.443 464 E N 0.392 120.499 120.200 -0.154 0.000 2.478 464 E HA 0.008 4.358 4.350 0.000 0.000 0.194 464 E C 0.046 176.587 176.600 -0.099 0.000 1.045 464 E CA 0.047 56.361 56.400 -0.144 0.000 0.868 464 E CB 0.232 29.862 29.700 -0.116 0.000 0.885 464 E HN 0.283 nan 8.360 nan 0.000 0.505 465 I N 2.595 123.143 120.570 -0.036 0.000 2.578 465 I HA -0.013 4.158 4.170 0.000 0.000 0.286 465 I C 0.573 176.698 176.117 0.014 0.000 1.126 465 I CA 0.605 61.890 61.300 -0.025 0.000 1.380 465 I CB -0.592 37.460 38.000 0.086 0.000 1.408 465 I HN -0.255 nan 8.210 nan 0.000 0.532 466 K N 6.174 126.464 120.400 -0.183 0.000 2.477 466 K HA 0.588 4.909 4.320 0.000 0.000 0.255 466 K C -1.395 175.027 176.600 -0.296 0.000 0.952 466 K CA -0.660 55.582 56.287 -0.075 0.000 0.826 466 K CB 2.580 35.054 32.500 -0.044 0.000 1.331 466 K HN 0.155 nan 8.250 nan 0.000 0.437 467 F N 1.489 121.491 119.950 0.086 0.000 2.532 467 F HA 0.294 4.821 4.527 0.000 0.000 0.365 467 F C -0.376 175.395 175.800 -0.048 0.000 1.112 467 F CA -0.557 57.467 58.000 0.041 0.000 1.082 467 F CB 1.546 40.625 39.000 0.131 0.000 1.319 467 F HN 0.297 nan 8.300 nan 0.000 0.457 468 E N 3.656 123.748 120.200 -0.179 0.000 2.255 468 E HA 0.542 4.892 4.350 0.000 0.000 0.256 468 E C -1.314 174.989 176.600 -0.496 0.000 0.887 468 E CA -0.500 55.784 56.400 -0.193 0.000 0.782 468 E CB 1.892 31.508 29.700 -0.141 0.000 1.214 468 E HN 0.292 nan 8.360 nan 0.000 0.417 469 F N 1.010 121.007 119.950 0.079 0.000 2.629 469 F HA 0.455 4.982 4.527 0.000 0.000 0.316 469 F C -1.988 173.840 175.800 0.047 0.000 1.081 469 F CA -2.340 55.696 58.000 0.060 0.000 0.954 469 F CB 0.591 39.630 39.000 0.065 0.000 1.337 469 F HN 0.239 nan 8.300 nan 0.000 0.474 470 P HA 0.340 nan 4.420 nan 0.000 0.263 470 P C -0.851 176.534 177.300 0.142 0.000 1.195 470 P CA -0.088 63.103 63.100 0.152 0.000 0.762 470 P CB 0.369 32.143 31.700 0.123 0.000 0.799 471 A N 3.126 126.012 122.820 0.109 0.000 2.257 471 A HA 0.467 4.787 4.320 0.000 0.000 0.289 471 A C 0.964 178.593 177.584 0.075 0.000 1.095 471 A CA -0.290 51.804 52.037 0.095 0.000 0.836 471 A CB 0.403 19.458 19.000 0.091 0.000 1.111 471 A HN 0.462 nan 8.150 nan 0.000 0.497 472 M N -0.347 119.292 119.600 0.066 0.000 2.691 472 M HA 0.130 4.610 4.480 0.000 0.000 0.261 472 M C 0.087 176.432 176.300 0.075 0.000 1.227 472 M CA 0.689 56.023 55.300 0.057 0.000 1.197 472 M CB -1.170 31.453 32.600 0.038 0.000 1.294 472 M HN 0.803 nan 8.290 nan 0.000 0.508 473 D N 2.557 123.013 120.400 0.094 0.000 2.443 473 D HA 0.322 4.962 4.640 0.000 0.000 0.221 473 D C -0.633 175.755 176.300 0.147 0.000 1.097 473 D CA 0.082 54.164 54.000 0.137 0.000 0.865 473 D CB 0.849 41.748 40.800 0.165 0.000 1.034 473 D HN 0.221 nan 8.370 nan 0.000 0.511 474 T N -0.262 114.365 114.554 0.121 0.000 2.901 474 T HA 0.737 5.087 4.350 0.000 0.000 0.293 474 T C -0.252 174.496 174.700 0.081 0.000 1.084 474 T CA -0.768 61.388 62.100 0.094 0.000 1.008 474 T CB 1.388 70.296 68.868 0.066 0.000 1.170 474 T HN 0.090 nan 8.240 nan 0.000 0.509 475 V N 0.000 119.945 119.914 0.052 0.000 2.409 475 V HA 0.000 4.120 4.120 0.000 0.000 0.244 475 V CA 0.000 62.315 62.300 0.025 0.000 1.235 475 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556