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 1gqy_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKHSHEEIRK IIPEMRRVQQ IHFIGIGGAG MSGIAEILLN EGYQISGSDI DATA SEQUENCE ADGVVTQRLA QAGAKIYIGH AEEHIEGASV VVVSSAIKDD NPELVTSKQK DATA SEQUENCE RIPVIQRAQM LAEIMRFRHG IAVAGTHGKT TTTAMISMIY TQAKLDPTFV DATA SEQUENCE NGGLVKSAGK NAHLGASRYL IAEADESDAS FLHLQPMVSV VTNMEPDXXX DATA SEQUENCE XXXXDFEKMK ATYVKFLHNL PFYGLAVMCA DDPVLMELVP KVGRQVITYG DATA SEQUENCE FSEQADYRIE DYEQTGFQGH YTVICPNNER INVLLNVPGK HNALNATAAL DATA SEQUENCE AVAKEEGIAN EAILEALADF QGAGRRFDQL GEFIRPNGKV RLVDDYGHHP DATA SEQUENCE TEVGVTIKAA REGWGDKRIV MIFQPHRYSR TRDLFDDFVQ VLSQVDALIM DATA SEQUENCE LDVYAAGEAP IVGADSKSLC RSIRNLGKVD PILVSDTSQL GDVLDQIIQD DATA SEQUENCE GDLILAQGAG SVSKISRGLA ESWKN 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.309 176.300 0.014 0.000 1.140 1 M CA 0.000 55.319 55.300 0.031 0.000 0.988 1 M CB 0.000 32.624 32.600 0.040 0.000 1.302 2 K N 2.959 123.341 120.400 -0.031 0.000 2.237 2 K HA 0.171 4.491 4.320 0.000 0.000 0.270 2 K C 0.529 177.111 176.600 -0.029 0.000 1.015 2 K CA -0.420 55.817 56.287 -0.083 0.000 0.949 2 K CB 0.846 33.211 32.500 -0.225 0.000 0.976 2 K HN 0.896 nan 8.250 nan 0.000 0.472 3 H N 1.720 120.740 119.070 -0.083 0.000 2.390 3 H HA -0.184 4.373 4.556 0.000 0.000 0.298 3 H C 1.733 177.035 175.328 -0.044 0.000 1.106 3 H CA 2.423 58.441 56.048 -0.049 0.000 1.297 3 H CB 0.308 30.047 29.762 -0.039 0.000 1.375 3 H HN 0.885 nan 8.280 nan 0.000 0.509 4 S N -0.542 115.075 115.700 -0.139 0.000 2.368 4 S HA -0.173 4.297 4.470 0.000 0.000 0.224 4 S C 1.840 176.403 174.600 -0.061 0.000 1.029 4 S CA 1.345 59.452 58.200 -0.154 0.000 0.988 4 S CB -0.846 62.285 63.200 -0.114 0.000 0.838 4 S HN 0.656 nan 8.310 nan 0.000 0.462 5 H N 1.322 120.336 119.070 -0.093 0.000 2.389 5 H HA 0.040 4.596 4.556 0.000 0.000 0.299 5 H C 2.423 177.687 175.328 -0.107 0.000 1.081 5 H CA 1.363 57.353 56.048 -0.095 0.000 1.345 5 H CB -0.022 29.690 29.762 -0.084 0.000 1.393 5 H HN 0.568 nan 8.280 nan 0.000 0.520 6 E N 0.660 120.864 120.200 0.007 0.000 2.077 6 E HA -0.153 4.197 4.350 0.000 0.000 0.193 6 E C 2.037 178.586 176.600 -0.085 0.000 0.989 6 E CA 0.696 57.074 56.400 -0.037 0.000 0.800 6 E CB 0.122 29.809 29.700 -0.021 0.000 0.746 6 E HN 0.464 nan 8.360 nan 0.000 0.452 7 E N 0.651 120.749 120.200 -0.170 0.000 2.106 7 E HA -0.118 4.232 4.350 0.000 0.000 0.192 7 E C 2.150 178.698 176.600 -0.087 0.000 0.984 7 E CA 0.590 56.890 56.400 -0.166 0.000 0.806 7 E CB -0.115 29.414 29.700 -0.286 0.000 0.750 7 E HN 0.316 nan 8.360 nan 0.000 0.458 8 I N 0.863 121.394 120.570 -0.064 0.000 2.202 8 I HA -0.227 3.943 4.170 0.000 0.000 0.242 8 I C 2.305 178.394 176.117 -0.047 0.000 1.091 8 I CA 0.830 62.106 61.300 -0.039 0.000 1.368 8 I CB -0.072 37.916 38.000 -0.019 0.000 1.058 8 I HN -0.073 nan 8.210 nan 0.000 0.410 9 R N 1.085 121.552 120.500 -0.055 0.000 2.241 9 R HA -0.136 4.204 4.340 0.000 0.000 0.224 9 R C 1.876 178.137 176.300 -0.065 0.000 1.101 9 R CA 0.913 56.973 56.100 -0.067 0.000 0.995 9 R CB -0.457 29.800 30.300 -0.071 0.000 0.870 9 R HN 0.470 nan 8.270 nan 0.000 0.463 10 K N -0.219 120.147 120.400 -0.057 0.000 2.366 10 K HA 0.060 4.380 4.320 0.000 0.000 0.198 10 K C 1.786 178.353 176.600 -0.056 0.000 1.044 10 K CA 0.732 56.987 56.287 -0.052 0.000 0.973 10 K CB 0.244 32.719 32.500 -0.042 0.000 0.767 10 K HN 0.169 nan 8.250 nan 0.000 0.475 11 I N 0.109 120.647 120.570 -0.053 0.000 3.300 11 I HA 0.034 4.204 4.170 0.000 0.000 0.279 11 I C 0.297 176.377 176.117 -0.061 0.000 1.172 11 I CA 0.048 61.319 61.300 -0.048 0.000 1.431 11 I CB 0.528 38.510 38.000 -0.030 0.000 1.240 11 I HN -0.075 nan 8.210 nan 0.000 0.453 12 I N 3.473 124.011 120.570 -0.054 0.000 2.362 12 I HA 0.348 4.519 4.170 0.000 0.000 0.289 12 I C -2.450 173.611 176.117 -0.094 0.000 0.994 12 I CA -2.550 58.720 61.300 -0.049 0.000 1.158 12 I CB 0.538 38.551 38.000 0.022 0.000 1.315 12 I HN -0.173 nan 8.210 nan 0.000 0.451 13 P HA 0.211 nan 4.420 nan 0.000 0.276 13 P C -0.428 176.843 177.300 -0.047 0.000 1.244 13 P CA -0.458 62.541 63.100 -0.168 0.000 0.801 13 P CB 0.724 32.230 31.700 -0.323 0.000 1.006 14 E N 1.828 122.009 120.200 -0.032 0.000 2.366 14 E HA 0.237 4.587 4.350 0.000 0.000 0.266 14 E C -0.470 176.202 176.600 0.120 0.000 1.051 14 E CA -0.495 55.935 56.400 0.050 0.000 0.884 14 E CB 0.306 29.980 29.700 -0.042 0.000 1.006 14 E HN 0.296 nan 8.360 nan 0.000 0.417 15 M N 2.910 122.651 119.600 0.235 0.000 2.200 15 M HA 0.130 4.610 4.480 0.000 0.000 0.355 15 M C 0.536 176.909 176.300 0.122 0.000 1.283 15 M CA -0.227 55.169 55.300 0.159 0.000 1.124 15 M CB 0.802 33.470 32.600 0.114 0.000 1.625 15 M HN 0.562 nan 8.290 nan 0.000 0.463 16 R N 3.470 124.019 120.500 0.082 0.000 2.501 16 R HA -0.106 4.235 4.340 0.000 0.000 0.319 16 R C -0.017 176.317 176.300 0.057 0.000 0.913 16 R CA 0.921 57.056 56.100 0.058 0.000 1.104 16 R CB 0.043 30.370 30.300 0.046 0.000 0.901 16 R HN 0.759 nan 8.270 nan 0.000 0.407 17 R N 1.014 121.547 120.500 0.055 0.000 3.863 17 R HA -0.181 4.160 4.340 0.000 0.000 0.313 17 R C -0.497 175.843 176.300 0.067 0.000 1.202 17 R CA 0.891 57.022 56.100 0.051 0.000 0.852 17 R CB -1.713 28.608 30.300 0.033 0.000 1.292 17 R HN 0.336 nan 8.270 nan 0.000 0.519 18 V N 1.331 121.308 119.914 0.105 0.000 2.368 18 V HA 0.034 4.154 4.120 0.000 0.000 0.266 18 V C 1.335 177.554 176.094 0.208 0.000 1.045 18 V CA 0.505 62.872 62.300 0.111 0.000 0.899 18 V CB 1.434 33.291 31.823 0.058 0.000 1.006 18 V HN 0.294 nan 8.190 nan 0.000 0.470 19 Q N 4.237 124.126 119.800 0.147 0.000 2.548 19 Q HA 0.208 4.549 4.340 0.000 0.000 0.230 19 Q C 0.783 176.890 176.000 0.179 0.000 0.899 19 Q CA 0.124 56.023 55.803 0.161 0.000 0.936 19 Q CB 0.580 29.372 28.738 0.089 0.000 1.114 19 Q HN 0.742 nan 8.270 nan 0.000 0.606 20 Q N 0.964 120.835 119.800 0.118 0.000 2.340 20 Q HA 0.478 4.818 4.340 0.000 0.000 0.268 20 Q C -1.552 174.490 176.000 0.071 0.000 1.031 20 Q CA -0.502 55.369 55.803 0.114 0.000 0.804 20 Q CB 1.633 30.434 28.738 0.106 0.000 1.286 20 Q HN 0.353 nan 8.270 nan 0.000 0.448 21 I N 3.328 123.943 120.570 0.075 0.000 2.362 21 I HA 0.272 4.442 4.170 0.000 0.000 0.289 21 I C -0.710 175.447 176.117 0.067 0.000 0.994 21 I CA -0.818 60.471 61.300 -0.018 0.000 1.158 21 I CB 1.435 39.375 38.000 -0.101 0.000 1.315 21 I HN 0.651 nan 8.210 nan 0.000 0.451 22 H N 6.295 125.302 119.070 -0.104 0.000 2.459 22 H HA 0.527 5.084 4.556 0.000 0.000 0.332 22 H C -1.582 173.667 175.328 -0.132 0.000 1.094 22 H CA -0.383 55.672 56.048 0.010 0.000 1.224 22 H CB 0.939 30.725 29.762 0.040 0.000 1.449 22 H HN 0.298 nan 8.280 nan 0.000 0.484 23 F N 5.475 125.119 119.950 -0.510 0.000 2.411 23 F HA 0.332 4.860 4.527 0.000 0.000 0.352 23 F C -0.150 175.415 175.800 -0.392 0.000 1.123 23 F CA -0.723 57.090 58.000 -0.313 0.000 1.044 23 F CB 0.944 39.836 39.000 -0.180 0.000 1.135 23 F HN 0.430 nan 8.300 nan 0.000 0.461 24 I N 3.258 123.817 120.570 -0.019 0.000 2.301 24 I HA 0.409 4.579 4.170 0.000 0.000 0.292 24 I C 0.724 176.913 176.117 0.121 0.000 1.046 24 I CA -0.143 61.211 61.300 0.090 0.000 1.282 24 I CB 0.555 38.612 38.000 0.094 0.000 1.409 24 I HN 0.874 nan 8.210 nan 0.000 0.484 25 G N 5.384 114.286 108.800 0.171 0.000 2.270 25 G HA2 -0.224 3.737 3.960 0.000 0.000 0.224 25 G HA3 -0.224 3.737 3.960 0.000 0.000 0.224 25 G C 0.475 175.433 174.900 0.097 0.000 1.079 25 G CA -0.190 45.001 45.100 0.152 0.000 0.807 25 G HN 0.719 nan 8.290 nan 0.000 0.492 26 I N 0.001 120.613 120.570 0.070 0.000 3.001 26 I HA 0.115 4.285 4.170 0.000 0.000 0.268 26 I C 2.209 178.297 176.117 -0.049 0.000 1.267 26 I CA 1.492 62.787 61.300 -0.008 0.000 1.472 26 I CB -0.042 37.922 38.000 -0.060 0.000 1.089 26 I HN 0.309 nan 8.210 nan 0.000 0.468 27 G N 0.336 109.131 108.800 -0.009 0.000 2.623 27 G HA2 0.001 3.962 3.960 0.000 0.000 0.214 27 G HA3 0.001 3.962 3.960 0.000 0.000 0.214 27 G C 0.986 175.883 174.900 -0.005 0.000 1.138 27 G CA 0.327 45.416 45.100 -0.017 0.000 0.794 27 G HN 0.489 nan 8.290 nan 0.000 0.535 28 G N 0.259 109.068 108.800 0.016 0.000 2.562 28 G HA2 0.440 4.400 3.960 0.000 0.000 0.233 28 G HA3 0.440 4.400 3.960 0.000 0.000 0.233 28 G C 0.360 175.263 174.900 0.005 0.000 1.266 28 G CA 0.299 45.413 45.100 0.023 0.000 0.852 28 G HN 0.578 nan 8.290 nan 0.000 0.581 29 A N 0.436 123.263 122.820 0.012 0.000 2.388 29 A HA 0.642 4.963 4.320 0.000 0.000 0.257 29 A C 1.511 179.102 177.584 0.011 0.000 1.095 29 A CA 0.961 53.000 52.037 0.003 0.000 0.791 29 A CB 0.300 19.303 19.000 0.005 0.000 1.029 29 A HN 2.534 nan 8.150 nan 0.000 0.489 30 G N 0.806 109.610 108.800 0.007 0.000 2.399 30 G HA2 -0.268 3.693 3.960 0.000 0.000 0.216 30 G HA3 -0.268 3.693 3.960 0.000 0.000 0.216 30 G C 1.074 175.987 174.900 0.022 0.000 1.096 30 G CA 0.656 45.769 45.100 0.021 0.000 0.650 30 G HN 0.529 nan 8.290 nan 0.000 0.512 31 M N 1.635 121.240 119.600 0.008 0.000 2.216 31 M HA 0.085 4.565 4.480 0.000 0.000 0.264 31 M C 2.914 179.104 176.300 -0.182 0.000 1.080 31 M CA 2.272 57.563 55.300 -0.015 0.000 1.153 31 M CB -1.218 31.403 32.600 0.036 0.000 1.356 31 M HN 0.630 nan 8.290 nan 0.000 0.432 32 S N 0.197 115.803 115.700 -0.156 0.000 2.402 32 S HA -0.035 4.435 4.470 0.000 0.000 0.229 32 S C 2.047 176.535 174.600 -0.188 0.000 1.021 32 S CA 1.195 59.271 58.200 -0.207 0.000 0.974 32 S CB -1.221 61.906 63.200 -0.122 0.000 0.800 32 S HN 0.514 nan 8.310 nan 0.000 0.484 33 G N 1.839 110.571 108.800 -0.114 0.000 2.394 33 G HA2 0.021 3.982 3.960 0.000 0.000 0.214 33 G HA3 0.021 3.982 3.960 0.000 0.000 0.214 33 G C 1.376 176.220 174.900 -0.094 0.000 1.176 33 G CA 0.673 45.724 45.100 -0.081 0.000 0.786 33 G HN 0.521 nan 8.290 nan 0.000 0.533 34 I N 1.451 121.978 120.570 -0.072 0.000 2.315 34 I HA -0.115 4.055 4.170 0.000 0.000 0.248 34 I C 3.220 179.285 176.117 -0.086 0.000 1.117 34 I CA 0.900 62.190 61.300 -0.017 0.000 1.404 34 I CB -0.036 38.017 38.000 0.088 0.000 1.071 34 I HN 0.230 nan 8.210 nan 0.000 0.419 35 A N -0.080 122.507 122.820 -0.389 0.000 1.940 35 A HA -0.280 4.040 4.320 0.000 0.000 0.219 35 A C 2.304 179.741 177.584 -0.245 0.000 1.176 35 A CA 2.040 53.703 52.037 -0.624 0.000 0.631 35 A CB -0.571 17.696 19.000 -1.222 0.000 0.814 35 A HN 0.511 nan 8.150 nan 0.000 0.446 36 E N -0.544 119.543 120.200 -0.188 0.000 2.158 36 E HA -0.056 4.294 4.350 0.000 0.000 0.191 36 E C 1.793 178.349 176.600 -0.072 0.000 0.982 36 E CA 0.567 56.900 56.400 -0.112 0.000 0.823 36 E CB -0.147 29.491 29.700 -0.104 0.000 0.766 36 E HN 0.662 nan 8.360 nan 0.000 0.468 37 I N 0.770 121.296 120.570 -0.072 0.000 2.226 37 I HA -0.288 3.882 4.170 0.000 0.000 0.245 37 I C 2.204 178.331 176.117 0.017 0.000 1.100 37 I CA 0.910 62.179 61.300 -0.053 0.000 1.374 37 I CB -0.060 37.909 38.000 -0.052 0.000 1.057 37 I HN 0.194 nan 8.210 nan 0.000 0.413 38 L N -0.497 120.761 121.223 0.059 0.000 2.093 38 L HA -0.209 4.131 4.340 0.000 0.000 0.208 38 L C 2.485 179.471 176.870 0.194 0.000 1.085 38 L CA 0.732 55.675 54.840 0.172 0.000 0.755 38 L CB -0.495 41.644 42.059 0.134 0.000 0.904 38 L HN 0.246 nan 8.230 nan 0.000 0.435 39 L N 0.330 121.609 121.223 0.093 0.000 1.989 39 L HA -0.245 4.095 4.340 0.000 0.000 0.211 39 L C 2.244 179.146 176.870 0.053 0.000 1.071 39 L CA 1.872 56.752 54.840 0.068 0.000 0.749 39 L CB -0.756 41.314 42.059 0.017 0.000 0.890 39 L HN 0.288 nan 8.230 nan 0.000 0.431 40 N N -0.474 118.248 118.700 0.037 0.000 2.381 40 N HA -0.163 4.578 4.740 0.000 0.000 0.182 40 N C 1.633 177.179 175.510 0.059 0.000 1.025 40 N CA 0.853 53.942 53.050 0.065 0.000 0.888 40 N CB -0.078 38.410 38.487 0.001 0.000 0.965 40 N HN 0.554 nan 8.380 nan 0.000 0.438 41 E N -0.444 119.739 120.200 -0.029 0.000 2.427 41 E HA 0.022 4.372 4.350 0.000 0.000 0.196 41 E C 0.663 176.915 176.600 -0.580 0.000 1.028 41 E CA 0.354 56.661 56.400 -0.155 0.000 0.864 41 E CB 0.180 29.885 29.700 0.008 0.000 0.813 41 E HN 0.437 nan 8.360 nan 0.000 0.514 42 G N -0.174 108.287 108.800 -0.565 0.000 2.205 42 G HA2 -0.219 3.741 3.960 0.000 0.000 0.180 42 G HA3 -0.219 3.741 3.960 0.000 0.000 0.180 42 G C -0.225 174.434 174.900 -0.401 0.000 1.004 42 G CA -0.339 44.306 45.100 -0.759 0.000 0.670 42 G HN 0.172 nan 8.290 nan 0.000 0.496 43 Y N 1.936 122.166 120.300 -0.117 0.000 2.326 43 Y HA 0.467 5.017 4.550 0.000 0.000 0.333 43 Y C 1.361 177.260 175.900 -0.002 0.000 1.240 43 Y CA -0.112 57.965 58.100 -0.039 0.000 1.365 43 Y CB 0.531 38.990 38.460 -0.000 0.000 1.289 43 Y HN 0.204 nan 8.280 nan 0.000 0.548 44 Q N 2.989 122.905 119.800 0.193 0.000 2.314 44 Q HA 0.334 4.674 4.340 0.000 0.000 0.258 44 Q C -1.018 175.084 176.000 0.169 0.000 0.954 44 Q CA -0.261 55.625 55.803 0.138 0.000 0.890 44 Q CB 1.084 29.890 28.738 0.112 0.000 1.210 44 Q HN 0.372 nan 8.270 nan 0.000 0.410 45 I N 1.884 122.539 120.570 0.142 0.000 2.465 45 I HA 0.334 4.505 4.170 0.000 0.000 0.291 45 I C -0.016 176.188 176.117 0.144 0.000 1.014 45 I CA -0.374 61.026 61.300 0.167 0.000 1.093 45 I CB 1.571 39.640 38.000 0.114 0.000 1.267 45 I HN 0.721 nan 8.210 nan 0.000 0.431 46 S N 3.795 119.622 115.700 0.211 0.000 2.595 46 S HA 1.013 5.483 4.470 0.000 0.000 0.281 46 S C -0.525 174.169 174.600 0.156 0.000 1.117 46 S CA -0.596 57.730 58.200 0.209 0.000 0.873 46 S CB 2.877 66.293 63.200 0.361 0.000 1.108 46 S HN 1.046 nan 8.310 nan 0.000 0.477 47 G N 0.198 109.045 108.800 0.079 0.000 2.576 47 G HA2 0.628 4.588 3.960 0.000 0.000 0.290 47 G HA3 0.628 4.588 3.960 0.000 0.000 0.290 47 G C -1.164 173.786 174.900 0.084 0.000 1.442 47 G CA -0.162 44.879 45.100 -0.099 0.000 0.792 47 G HN 1.680 nan 8.290 nan 0.000 0.491 48 S N -0.335 115.431 115.700 0.110 0.000 2.570 48 S HA 0.849 5.320 4.470 0.000 0.000 0.286 48 S C -1.720 172.990 174.600 0.182 0.000 1.099 48 S CA -0.715 57.638 58.200 0.256 0.000 0.913 48 S CB 3.039 66.542 63.200 0.506 0.000 1.085 48 S HN 0.744 nan 8.310 nan 0.000 0.480 49 D N 0.639 121.108 120.400 0.114 0.000 2.736 49 D HA 0.258 4.898 4.640 0.000 0.000 0.223 49 D C 1.321 177.593 176.300 -0.046 0.000 1.231 49 D CA -0.597 53.438 54.000 0.057 0.000 0.818 49 D CB 1.935 42.760 40.800 0.041 0.000 1.587 49 D HN 0.693 nan 8.370 nan 0.000 0.463 50 I N -0.544 119.963 120.570 -0.105 0.000 2.454 50 I HA 0.108 4.278 4.170 0.000 0.000 0.254 50 I C 0.646 176.735 176.117 -0.046 0.000 1.156 50 I CA 0.773 61.993 61.300 -0.133 0.000 1.433 50 I CB -0.205 37.734 38.000 -0.101 0.000 1.082 50 I HN 0.163 nan 8.210 nan 0.000 0.432 51 A N 1.320 124.131 122.820 -0.016 0.000 2.365 51 A HA 0.483 4.804 4.320 0.000 0.000 0.318 51 A C -0.706 176.876 177.584 -0.004 0.000 1.091 51 A CA -0.590 51.444 52.037 -0.006 0.000 0.763 51 A CB 1.372 20.373 19.000 0.002 0.000 1.248 51 A HN 0.244 nan 8.150 nan 0.000 0.442 52 D N 0.186 120.583 120.400 -0.005 0.000 2.384 52 D HA 0.634 5.274 4.640 0.000 0.000 0.244 52 D C 0.602 176.895 176.300 -0.012 0.000 1.251 52 D CA 1.395 55.388 54.000 -0.011 0.000 0.961 52 D CB 1.379 42.173 40.800 -0.009 0.000 1.116 52 D HN 0.993 nan 8.370 nan 0.000 0.484 53 G N -1.514 107.275 108.800 -0.017 0.000 2.321 53 G HA2 0.196 4.156 3.960 0.000 0.000 0.296 53 G HA3 0.196 4.156 3.960 0.000 0.000 0.296 53 G C 0.520 175.407 174.900 -0.021 0.000 1.287 53 G CA 0.029 45.119 45.100 -0.016 0.000 0.846 53 G HN 0.304 nan 8.290 nan 0.000 0.508 54 V N 0.156 120.058 119.914 -0.020 0.000 2.270 54 V HA -0.088 4.033 4.120 0.000 0.000 0.245 54 V C 2.966 179.043 176.094 -0.028 0.000 1.043 54 V CA 2.072 64.359 62.300 -0.021 0.000 1.014 54 V CB -1.206 30.606 31.823 -0.018 0.000 0.645 54 V HN 0.582 nan 8.190 nan 0.000 0.447 55 V N 1.668 121.564 119.914 -0.030 0.000 2.252 55 V HA -0.325 3.795 4.120 0.000 0.000 0.249 55 V C 2.949 179.012 176.094 -0.052 0.000 1.056 55 V CA 2.908 65.184 62.300 -0.040 0.000 1.022 55 V CB -1.680 30.119 31.823 -0.041 0.000 0.641 55 V HN 0.817 nan 8.190 nan 0.000 0.445 56 T N -2.056 112.468 114.554 -0.049 0.000 2.833 56 T HA -0.292 4.058 4.350 0.000 0.000 0.269 56 T C 1.805 176.467 174.700 -0.063 0.000 1.054 56 T CA 1.831 63.894 62.100 -0.061 0.000 1.135 56 T CB -0.328 68.509 68.868 -0.051 0.000 0.869 56 T HN 0.407 nan 8.240 nan 0.000 0.466 57 Q N 0.465 120.236 119.800 -0.049 0.000 2.123 57 Q HA 0.217 4.557 4.340 0.000 0.000 0.199 57 Q C 2.521 178.494 176.000 -0.044 0.000 0.966 57 Q CA 0.958 56.734 55.803 -0.045 0.000 0.845 57 Q CB -0.215 28.504 28.738 -0.033 0.000 0.907 57 Q HN 0.545 nan 8.270 nan 0.000 0.439 58 R N -0.268 120.207 120.500 -0.041 0.000 2.082 58 R HA -0.142 4.198 4.340 0.000 0.000 0.234 58 R C 2.070 178.342 176.300 -0.048 0.000 1.136 58 R CA 1.468 57.545 56.100 -0.038 0.000 0.935 58 R CB -0.387 29.891 30.300 -0.036 0.000 0.842 58 R HN 0.258 nan 8.270 nan 0.000 0.430 59 L N -0.064 121.121 121.223 -0.064 0.000 2.012 59 L HA -0.195 4.146 4.340 0.000 0.000 0.210 59 L C 2.667 179.494 176.870 -0.071 0.000 1.073 59 L CA 1.454 56.247 54.840 -0.078 0.000 0.748 59 L CB -0.539 41.456 42.059 -0.107 0.000 0.891 59 L HN 0.342 nan 8.230 nan 0.000 0.431 60 A N -0.895 121.878 122.820 -0.078 0.000 1.978 60 A HA -0.294 4.026 4.320 0.000 0.000 0.220 60 A C 2.254 179.802 177.584 -0.060 0.000 1.170 60 A CA 1.956 53.943 52.037 -0.084 0.000 0.636 60 A CB -0.532 18.411 19.000 -0.095 0.000 0.810 60 A HN 0.531 nan 8.150 nan 0.000 0.448 61 Q N -0.909 118.863 119.800 -0.046 0.000 2.123 61 Q HA -0.006 4.335 4.340 0.000 0.000 0.199 61 Q C 2.158 178.142 176.000 -0.026 0.000 0.966 61 Q CA 1.046 56.830 55.803 -0.033 0.000 0.845 61 Q CB -0.278 28.445 28.738 -0.026 0.000 0.907 61 Q HN 0.618 nan 8.270 nan 0.000 0.439 62 A N -0.374 122.430 122.820 -0.027 0.000 2.070 62 A HA 0.003 4.324 4.320 0.000 0.000 0.220 62 A C 1.576 179.154 177.584 -0.010 0.000 1.159 62 A CA 1.601 53.628 52.037 -0.017 0.000 0.656 62 A CB -0.347 18.641 19.000 -0.020 0.000 0.800 62 A HN 0.619 nan 8.150 nan 0.000 0.453 63 G N -3.373 105.416 108.800 -0.018 0.000 2.559 63 G HA2 0.307 4.267 3.960 0.000 0.000 0.202 63 G HA3 0.307 4.267 3.960 0.000 0.000 0.202 63 G C 0.280 175.171 174.900 -0.015 0.000 0.992 63 G CA 0.047 45.141 45.100 -0.009 0.000 0.764 63 G HN 1.304 nan 8.290 nan 0.000 0.525 64 A N 0.754 123.553 122.820 -0.034 0.000 2.388 64 A HA 0.632 4.953 4.320 0.000 0.000 0.257 64 A C 0.397 177.928 177.584 -0.088 0.000 1.095 64 A CA 0.128 52.139 52.037 -0.044 0.000 0.791 64 A CB 0.322 19.282 19.000 -0.067 0.000 1.029 64 A HN 0.259 nan 8.150 nan 0.000 0.489 65 K N 2.538 122.883 120.400 -0.091 0.000 2.273 65 K HA 0.348 4.668 4.320 0.000 0.000 0.287 65 K C -0.774 175.567 176.600 -0.432 0.000 1.089 65 K CA -0.095 56.050 56.287 -0.236 0.000 0.909 65 K CB 0.516 32.943 32.500 -0.122 0.000 1.123 65 K HN 0.486 nan 8.250 nan 0.000 0.473 66 I N 3.739 123.982 120.570 -0.546 0.000 2.460 66 I HA 0.338 4.508 4.170 0.000 0.000 0.298 66 I C -0.347 175.326 176.117 -0.740 0.000 0.989 66 I CA -0.819 60.194 61.300 -0.478 0.000 1.173 66 I CB 0.845 38.701 38.000 -0.239 0.000 1.338 66 I HN 0.461 nan 8.210 nan 0.000 0.456 67 Y N 4.712 124.950 120.300 -0.102 0.000 2.545 67 Y HA 0.577 5.127 4.550 0.000 0.000 0.348 67 Y C 0.033 175.917 175.900 -0.028 0.000 1.002 67 Y CA -0.827 57.177 58.100 -0.160 0.000 1.039 67 Y CB 1.847 39.939 38.460 -0.614 0.000 1.271 67 Y HN 0.289 nan 8.280 nan 0.000 0.467 68 I N 1.889 122.564 120.570 0.176 0.000 2.437 68 I HA 0.679 4.849 4.170 0.000 0.000 0.298 68 I C 0.411 176.601 176.117 0.123 0.000 0.984 68 I CA -0.620 60.742 61.300 0.103 0.000 1.214 68 I CB 1.436 39.468 38.000 0.054 0.000 1.365 68 I HN 0.811 nan 8.210 nan 0.000 0.469 69 G N 3.471 112.260 108.800 -0.017 0.000 2.764 69 G HA2 -0.193 3.767 3.960 0.000 0.000 0.686 69 G HA3 -0.193 3.767 3.960 0.000 0.000 0.686 69 G C -0.812 174.066 174.900 -0.036 0.000 1.258 69 G CA -0.772 44.268 45.100 -0.099 0.000 0.846 69 G HN 0.818 nan 8.290 nan 0.000 0.596 70 H N 0.133 119.255 119.070 0.088 0.000 2.610 70 H HA 0.617 5.174 4.556 0.000 0.000 0.336 70 H C 0.742 175.983 175.328 -0.145 0.000 1.087 70 H CA 0.541 56.618 56.048 0.048 0.000 1.405 70 H CB 1.573 31.363 29.762 0.046 0.000 1.460 70 H HN 1.286 nan 8.280 nan 0.000 0.538 71 A N 2.599 125.256 122.820 -0.271 0.000 2.500 71 A HA 0.145 4.465 4.320 0.000 0.000 0.291 71 A C 0.978 178.291 177.584 -0.452 0.000 1.048 71 A CA -0.696 51.033 52.037 -0.514 0.000 0.791 71 A CB 0.922 19.423 19.000 -0.832 0.000 1.309 71 A HN 0.959 nan 8.150 nan 0.000 0.397 72 E N 1.390 121.454 120.200 -0.226 0.000 2.233 72 E HA -0.325 4.025 4.350 0.000 0.000 0.210 72 E C 1.026 177.534 176.600 -0.153 0.000 1.046 72 E CA 2.479 58.787 56.400 -0.153 0.000 0.844 72 E CB 0.088 29.724 29.700 -0.106 0.000 0.741 72 E HN 0.788 nan 8.360 nan 0.000 0.465 73 E N -0.810 119.282 120.200 -0.180 0.000 2.347 73 E HA -0.128 4.223 4.350 0.000 0.000 0.196 73 E C 1.596 178.163 176.600 -0.055 0.000 1.008 73 E CA 0.810 57.146 56.400 -0.105 0.000 0.852 73 E CB -0.037 29.611 29.700 -0.086 0.000 0.783 73 E HN 0.410 nan 8.360 nan 0.000 0.505 74 H N -0.299 118.618 119.070 -0.256 0.000 2.491 74 H HA 0.045 4.602 4.556 0.000 0.000 0.290 74 H C 1.639 176.803 175.328 -0.274 0.000 1.050 74 H CA 0.465 56.319 56.048 -0.324 0.000 1.309 74 H CB -0.088 29.573 29.762 -0.169 0.000 1.392 74 H HN 0.178 nan 8.280 nan 0.000 0.554 75 I N 1.293 121.755 120.570 -0.179 0.000 3.444 75 I HA -0.085 4.086 4.170 0.000 0.000 0.287 75 I C 0.723 176.769 176.117 -0.117 0.000 1.302 75 I CA 0.126 61.265 61.300 -0.269 0.000 1.368 75 I CB -0.241 37.639 38.000 -0.199 0.000 1.048 75 I HN 0.244 nan 8.210 nan 0.000 0.487 76 E N 1.525 121.692 120.200 -0.056 0.000 3.025 76 E HA -0.166 4.184 4.350 0.000 0.000 0.248 76 E C 1.136 177.743 176.600 0.012 0.000 0.938 76 E CA 0.809 57.202 56.400 -0.012 0.000 0.958 76 E CB -0.034 29.674 29.700 0.014 0.000 0.898 76 E HN 0.552 nan 8.360 nan 0.000 0.537 77 G N 2.732 111.535 108.800 0.005 0.000 2.180 77 G HA2 -0.363 3.597 3.960 0.000 0.000 0.263 77 G HA3 -0.363 3.597 3.960 0.000 0.000 0.263 77 G C 0.377 175.292 174.900 0.024 0.000 0.989 77 G CA 0.277 45.388 45.100 0.018 0.000 0.692 77 G HN 0.997 nan 8.290 nan 0.000 0.526 78 A N -0.030 122.796 122.820 0.010 0.000 2.520 78 A HA 0.645 4.965 4.320 0.000 0.000 0.245 78 A C 1.498 179.088 177.584 0.009 0.000 1.072 78 A CA 1.133 53.184 52.037 0.023 0.000 0.761 78 A CB 0.383 19.389 19.000 0.009 0.000 1.004 78 A HN 0.926 nan 8.150 nan 0.000 0.499 79 S N 0.700 116.408 115.700 0.014 0.000 2.458 79 S HA 0.210 4.680 4.470 0.000 0.000 0.223 79 S C 0.580 175.165 174.600 -0.026 0.000 1.019 79 S CA 0.800 58.999 58.200 -0.001 0.000 0.937 79 S CB 0.016 63.222 63.200 0.010 0.000 0.788 79 S HN 1.024 nan 8.310 nan 0.000 0.511 80 V N 0.835 120.722 119.914 -0.045 0.000 3.120 80 V HA 0.575 4.695 4.120 0.000 0.000 0.303 80 V C -1.985 174.056 176.094 -0.089 0.000 1.238 80 V CA -0.673 61.581 62.300 -0.078 0.000 1.008 80 V CB 2.318 34.072 31.823 -0.116 0.000 1.064 80 V HN -0.044 nan 8.190 nan 0.000 0.434 81 V N 5.476 125.334 119.914 -0.093 0.000 2.487 81 V HA 0.588 4.709 4.120 0.000 0.000 0.298 81 V C -0.452 175.540 176.094 -0.170 0.000 1.028 81 V CA -0.523 61.731 62.300 -0.077 0.000 0.860 81 V CB 1.961 33.789 31.823 0.009 0.000 0.991 81 V HN 0.702 nan 8.190 nan 0.000 0.427 82 V N 5.815 125.539 119.914 -0.317 0.000 2.435 82 V HA 0.672 4.793 4.120 0.000 0.000 0.290 82 V C -0.150 175.851 176.094 -0.155 0.000 1.030 82 V CA -0.521 61.584 62.300 -0.325 0.000 0.881 82 V CB 1.809 33.228 31.823 -0.672 0.000 0.983 82 V HN 0.752 nan 8.190 nan 0.000 0.445 83 V N 1.893 121.761 119.914 -0.077 0.000 2.823 83 V HA 0.869 4.989 4.120 0.000 0.000 0.312 83 V C 0.109 176.201 176.094 -0.002 0.000 1.072 83 V CA -0.450 61.837 62.300 -0.022 0.000 0.937 83 V CB 1.886 33.693 31.823 -0.027 0.000 1.013 83 V HN 0.907 nan 8.190 nan 0.000 0.430 84 S N 2.661 118.374 115.700 0.021 0.000 2.641 84 S HA 0.338 4.808 4.470 0.000 0.000 0.261 84 S C 0.896 175.502 174.600 0.010 0.000 1.257 84 S CA 0.183 58.397 58.200 0.024 0.000 0.983 84 S CB 1.056 64.280 63.200 0.040 0.000 0.990 84 S HN 1.015 nan 8.310 nan 0.000 0.572 85 S N 0.064 115.772 115.700 0.014 0.000 2.528 85 S HA 0.234 4.704 4.470 0.000 0.000 0.219 85 S C 1.890 176.498 174.600 0.013 0.000 0.985 85 S CA 0.210 58.416 58.200 0.010 0.000 0.914 85 S CB -0.471 62.737 63.200 0.013 0.000 0.776 85 S HN 0.823 nan 8.310 nan 0.000 0.526 86 A N 1.909 124.741 122.820 0.019 0.000 2.014 86 A HA 0.131 4.451 4.320 0.000 0.000 0.218 86 A C 0.952 178.544 177.584 0.013 0.000 1.163 86 A CA 0.226 52.276 52.037 0.022 0.000 0.652 86 A CB -0.869 18.152 19.000 0.035 0.000 0.808 86 A HN 0.529 nan 8.150 nan 0.000 0.449 87 I N -1.744 118.827 120.570 0.002 0.000 3.141 87 I HA 0.121 4.291 4.170 0.000 0.000 0.295 87 I C 0.160 176.263 176.117 -0.023 0.000 1.252 87 I CA 0.166 61.453 61.300 -0.023 0.000 1.406 87 I CB 0.040 38.015 38.000 -0.042 0.000 1.333 87 I HN 0.041 nan 8.210 nan 0.000 0.594 88 K N 2.464 122.841 120.400 -0.039 0.000 2.267 88 K HA 0.314 4.634 4.320 0.000 0.000 0.246 88 K C -0.084 176.494 176.600 -0.037 0.000 0.954 88 K CA -0.614 55.657 56.287 -0.027 0.000 0.824 88 K CB 1.597 34.089 32.500 -0.013 0.000 1.167 88 K HN 0.555 nan 8.250 nan 0.000 0.431 89 D N 0.888 121.273 120.400 -0.024 0.000 2.263 89 D HA -0.174 4.466 4.640 0.000 0.000 0.208 89 D C 1.102 177.386 176.300 -0.027 0.000 0.971 89 D CA 1.276 55.261 54.000 -0.025 0.000 0.867 89 D CB 0.131 40.921 40.800 -0.016 0.000 0.929 89 D HN 0.552 nan 8.370 nan 0.000 0.492 90 D N -0.204 120.183 120.400 -0.023 0.000 2.347 90 D HA -0.141 4.499 4.640 0.000 0.000 0.215 90 D C 0.527 176.812 176.300 -0.025 0.000 0.976 90 D CA 0.038 54.028 54.000 -0.017 0.000 0.884 90 D CB -0.697 40.100 40.800 -0.005 0.000 0.915 90 D HN -0.020 nan 8.370 nan 0.000 0.526 91 N N 1.815 120.483 118.700 -0.053 0.000 2.315 91 N HA -0.054 4.686 4.740 0.000 0.000 0.270 91 N C -1.586 173.886 175.510 -0.064 0.000 1.329 91 N CA -0.828 52.163 53.050 -0.099 0.000 0.860 91 N CB 1.332 39.699 38.487 -0.200 0.000 1.095 91 N HN -0.053 nan 8.380 nan 0.000 0.487 92 P HA -0.156 nan 4.420 nan 0.000 0.214 92 P C 0.734 178.009 177.300 -0.042 0.000 1.163 92 P CA 1.632 64.715 63.100 -0.028 0.000 0.889 92 P CB 0.231 31.922 31.700 -0.015 0.000 0.790 93 E N -0.945 119.237 120.200 -0.030 0.000 2.110 93 E HA -0.180 4.170 4.350 0.000 0.000 0.193 93 E C 1.940 178.520 176.600 -0.033 0.000 0.988 93 E CA 0.764 57.150 56.400 -0.024 0.000 0.804 93 E CB -0.723 29.018 29.700 0.068 0.000 0.745 93 E HN 0.115 nan 8.360 nan 0.000 0.458 94 L N 0.815 122.011 121.223 -0.045 0.000 2.056 94 L HA -0.093 4.248 4.340 0.000 0.000 0.207 94 L C 2.314 179.162 176.870 -0.037 0.000 1.078 94 L CA 1.292 56.108 54.840 -0.040 0.000 0.749 94 L CB -0.497 41.530 42.059 -0.053 0.000 0.901 94 L HN 0.044 nan 8.230 nan 0.000 0.433 95 V N -0.589 119.302 119.914 -0.039 0.000 2.427 95 V HA -0.243 3.878 4.120 0.000 0.000 0.248 95 V C 2.600 178.674 176.094 -0.034 0.000 1.051 95 V CA 2.531 64.811 62.300 -0.033 0.000 1.048 95 V CB -0.678 31.126 31.823 -0.030 0.000 0.666 95 V HN 0.828 nan 8.190 nan 0.000 0.456 96 T N -2.781 111.749 114.554 -0.040 0.000 2.942 96 T HA -0.117 4.233 4.350 0.000 0.000 0.265 96 T C 2.006 176.681 174.700 -0.042 0.000 1.062 96 T CA 1.702 63.777 62.100 -0.043 0.000 1.139 96 T CB -0.506 68.330 68.868 -0.053 0.000 0.883 96 T HN 0.496 nan 8.240 nan 0.000 0.468 97 S N 1.852 117.525 115.700 -0.045 0.000 2.365 97 S HA -0.107 4.363 4.470 0.000 0.000 0.225 97 S C 2.060 176.641 174.600 -0.032 0.000 1.039 97 S CA 1.586 59.762 58.200 -0.041 0.000 1.033 97 S CB -0.330 62.849 63.200 -0.035 0.000 0.887 97 S HN 0.647 nan 8.310 nan 0.000 0.447 98 K N 0.811 121.193 120.400 -0.029 0.000 2.148 98 K HA -0.107 4.213 4.320 0.000 0.000 0.204 98 K C 2.375 178.962 176.600 -0.022 0.000 1.050 98 K CA 1.064 57.337 56.287 -0.024 0.000 0.942 98 K CB -0.139 32.349 32.500 -0.022 0.000 0.724 98 K HN 0.379 nan 8.250 nan 0.000 0.446 99 Q N 1.349 121.135 119.800 -0.024 0.000 2.230 99 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 99 Q C 1.017 177.004 176.000 -0.021 0.000 0.963 99 Q CA 1.294 57.084 55.803 -0.022 0.000 0.866 99 Q CB 0.303 29.027 28.738 -0.023 0.000 0.931 99 Q HN 0.079 nan 8.270 nan 0.000 0.452 100 K N -0.039 120.346 120.400 -0.025 0.000 2.417 100 K HA 0.155 4.475 4.320 0.000 0.000 0.196 100 K C -0.540 176.048 176.600 -0.020 0.000 1.023 100 K CA -0.099 56.174 56.287 -0.023 0.000 1.122 100 K CB 0.429 32.912 32.500 -0.028 0.000 0.850 100 K HN 0.110 nan 8.250 nan 0.000 0.521 101 R N 0.669 121.157 120.500 -0.019 0.000 3.333 101 R HA -0.198 4.142 4.340 0.000 0.000 0.256 101 R C -0.698 175.591 176.300 -0.018 0.000 1.010 101 R CA 0.587 56.677 56.100 -0.017 0.000 0.680 101 R CB -2.363 27.929 30.300 -0.013 0.000 1.102 101 R HN 0.284 nan 8.270 nan 0.000 0.440 102 I N 1.663 122.219 120.570 -0.023 0.000 2.342 102 I HA 0.201 4.371 4.170 0.000 0.000 0.291 102 I C -1.631 174.469 176.117 -0.028 0.000 1.010 102 I CA -2.388 58.897 61.300 -0.025 0.000 1.308 102 I CB 1.097 39.079 38.000 -0.030 0.000 1.400 102 I HN -0.190 nan 8.210 nan 0.000 0.488 103 P HA 0.001 nan 4.420 nan 0.000 0.265 103 P C -0.895 176.378 177.300 -0.045 0.000 1.187 103 P CA 0.067 63.146 63.100 -0.034 0.000 0.766 103 P CB 0.472 32.150 31.700 -0.036 0.000 0.820 104 V N 5.085 124.973 119.914 -0.044 0.000 2.444 104 V HA 0.482 4.602 4.120 0.000 0.000 0.294 104 V C 0.313 176.371 176.094 -0.060 0.000 1.022 104 V CA -0.431 61.838 62.300 -0.052 0.000 0.850 104 V CB 1.110 32.911 31.823 -0.037 0.000 0.992 104 V HN 0.417 nan 8.190 nan 0.000 0.426 105 I N 1.757 122.274 120.570 -0.088 0.000 2.892 105 I HA 0.689 4.859 4.170 0.000 0.000 0.306 105 I C -0.366 175.685 176.117 -0.109 0.000 1.078 105 I CA -0.979 60.264 61.300 -0.096 0.000 1.032 105 I CB 2.174 40.106 38.000 -0.114 0.000 1.229 105 I HN 0.456 nan 8.210 nan 0.000 0.435 106 Q N 2.286 122.014 119.800 -0.120 0.000 2.317 106 Q HA 0.312 4.652 4.340 0.000 0.000 0.229 106 Q C 0.914 176.842 176.000 -0.119 0.000 0.984 106 Q CA -0.592 55.145 55.803 -0.108 0.000 0.911 106 Q CB 1.503 30.175 28.738 -0.110 0.000 1.217 106 Q HN 0.588 nan 8.270 nan 0.000 0.501 107 R N 0.959 121.420 120.500 -0.064 0.000 2.096 107 R HA -0.254 4.086 4.340 0.000 0.000 0.240 107 R C 1.717 177.985 176.300 -0.052 0.000 1.139 107 R CA 2.010 58.096 56.100 -0.022 0.000 0.952 107 R CB -0.458 29.856 30.300 0.023 0.000 0.854 107 R HN 0.798 nan 8.270 nan 0.000 0.436 108 A N 0.309 123.074 122.820 -0.092 0.000 1.969 108 A HA -0.196 4.124 4.320 0.000 0.000 0.218 108 A C 2.019 179.483 177.584 -0.199 0.000 1.169 108 A CA 1.460 53.440 52.037 -0.095 0.000 0.635 108 A CB -0.385 18.592 19.000 -0.038 0.000 0.810 108 A HN 0.436 nan 8.150 nan 0.000 0.445 109 Q N -1.261 118.319 119.800 -0.368 0.000 2.123 109 Q HA -0.081 4.259 4.340 0.000 0.000 0.199 109 Q C 1.883 177.801 176.000 -0.137 0.000 0.966 109 Q CA 1.851 57.461 55.803 -0.322 0.000 0.845 109 Q CB -0.350 28.174 28.738 -0.355 0.000 0.907 109 Q HN 0.516 nan 8.270 nan 0.000 0.439 110 M N -0.484 119.049 119.600 -0.113 0.000 2.132 110 M HA -0.041 4.439 4.480 0.000 0.000 0.263 110 M C 1.636 177.922 176.300 -0.023 0.000 1.065 110 M CA 1.132 56.391 55.300 -0.069 0.000 1.122 110 M CB -0.669 31.894 32.600 -0.062 0.000 1.365 110 M HN 0.390 nan 8.290 nan 0.000 0.411 111 L N 0.587 121.807 121.223 -0.006 0.000 2.042 111 L HA -0.092 4.248 4.340 0.000 0.000 0.210 111 L C 2.300 179.184 176.870 0.023 0.000 1.076 111 L CA 2.380 57.234 54.840 0.023 0.000 0.749 111 L CB -1.391 40.692 42.059 0.040 0.000 0.893 111 L HN 0.350 nan 8.230 nan 0.000 0.432 112 A N -0.923 121.905 122.820 0.013 0.000 1.940 112 A HA -0.203 4.117 4.320 0.000 0.000 0.219 112 A C 2.137 179.714 177.584 -0.011 0.000 1.176 112 A CA 1.816 53.863 52.037 0.018 0.000 0.631 112 A CB -0.579 18.450 19.000 0.048 0.000 0.814 112 A HN 0.565 nan 8.150 nan 0.000 0.446 113 E N -0.157 120.031 120.200 -0.019 0.000 2.150 113 E HA -0.089 4.261 4.350 0.000 0.000 0.193 113 E C 1.898 178.509 176.600 0.018 0.000 0.985 113 E CA 0.827 57.217 56.400 -0.017 0.000 0.814 113 E CB -0.388 29.300 29.700 -0.021 0.000 0.752 113 E HN 0.753 nan 8.360 nan 0.000 0.466 114 I N 0.670 121.256 120.570 0.027 0.000 2.454 114 I HA -0.212 3.958 4.170 0.000 0.000 0.254 114 I C 2.546 178.695 176.117 0.055 0.000 1.156 114 I CA 0.836 62.169 61.300 0.054 0.000 1.433 114 I CB -0.141 37.888 38.000 0.048 0.000 1.082 114 I HN 0.080 nan 8.210 nan 0.000 0.432 115 M N 0.283 119.899 119.600 0.027 0.000 2.388 115 M HA -0.117 4.364 4.480 0.000 0.000 0.265 115 M C 2.368 178.650 176.300 -0.029 0.000 1.088 115 M CA 1.090 56.400 55.300 0.016 0.000 1.134 115 M CB -0.051 32.556 32.600 0.012 0.000 1.384 115 M HN 0.045 nan 8.290 nan 0.000 0.447 116 R N 0.047 120.493 120.500 -0.090 0.000 2.112 116 R HA -0.204 4.136 4.340 0.000 0.000 0.242 116 R C 0.732 176.805 176.300 -0.378 0.000 1.137 116 R CA 2.172 58.096 56.100 -0.294 0.000 0.944 116 R CB -0.278 29.745 30.300 -0.462 0.000 0.857 116 R HN 0.395 nan 8.270 nan 0.000 0.435 117 F N -0.019 119.941 119.950 0.016 0.000 2.641 117 F HA 0.341 4.869 4.527 0.000 0.000 0.302 117 F C 0.679 176.488 175.800 0.014 0.000 1.098 117 F CA -0.162 57.847 58.000 0.015 0.000 1.318 117 F CB 0.362 39.372 39.000 0.016 0.000 1.035 117 F HN -0.135 nan 8.300 nan 0.000 0.551 118 R N -1.206 119.378 120.500 0.140 0.000 2.700 118 R HA 0.311 4.651 4.340 0.000 0.000 0.253 118 R C -0.664 175.691 176.300 0.093 0.000 1.091 118 R CA -1.006 55.158 56.100 0.106 0.000 1.104 118 R CB 0.727 31.086 30.300 0.099 0.000 1.202 118 R HN 0.015 nan 8.270 nan 0.000 0.532 119 H N -0.369 118.693 119.070 -0.013 0.000 2.872 119 H HA 0.285 4.841 4.556 0.000 0.000 0.273 119 H C -0.390 174.984 175.328 0.077 0.000 1.205 119 H CA -0.144 55.912 56.048 0.013 0.000 1.342 119 H CB 0.441 30.163 29.762 -0.067 0.000 1.469 119 H HN 0.690 nan 8.280 nan 0.000 0.487 120 G N 5.105 113.856 108.800 -0.082 0.000 2.353 120 G HA2 0.430 4.391 3.960 0.000 0.000 0.284 120 G HA3 0.430 4.391 3.960 0.000 0.000 0.284 120 G C -0.567 174.300 174.900 -0.054 0.000 1.172 120 G CA -0.658 44.430 45.100 -0.019 0.000 0.854 120 G HN 0.686 nan 8.290 nan 0.000 0.485 121 I N 2.089 122.667 120.570 0.012 0.000 2.382 121 I HA 0.422 4.592 4.170 0.000 0.000 0.285 121 I C 0.450 176.581 176.117 0.023 0.000 1.007 121 I CA -0.602 60.694 61.300 -0.007 0.000 1.142 121 I CB 1.819 39.793 38.000 -0.043 0.000 1.289 121 I HN 0.523 nan 8.210 nan 0.000 0.453 122 A N 6.475 129.329 122.820 0.057 0.000 2.301 122 A HA 0.762 5.082 4.320 0.000 0.000 0.312 122 A C -0.504 177.180 177.584 0.167 0.000 1.182 122 A CA -0.450 51.673 52.037 0.143 0.000 0.826 122 A CB 1.065 20.219 19.000 0.258 0.000 1.134 122 A HN 0.450 nan 8.150 nan 0.000 0.501 123 V N 2.361 122.363 119.914 0.146 0.000 2.326 123 V HA 0.637 4.758 4.120 0.000 0.000 0.281 123 V C 0.458 176.635 176.094 0.140 0.000 1.015 123 V CA 0.060 62.434 62.300 0.123 0.000 0.823 123 V CB 0.675 32.535 31.823 0.062 0.000 1.009 123 V HN 1.205 nan 8.190 nan 0.000 0.436 124 A N 3.632 126.562 122.820 0.184 0.000 2.387 124 A HA 1.097 5.417 4.320 0.000 0.000 0.298 124 A C 0.192 177.920 177.584 0.241 0.000 1.165 124 A CA -0.223 51.924 52.037 0.184 0.000 0.814 124 A CB 1.988 21.074 19.000 0.144 0.000 1.357 124 A HN 1.822 nan 8.150 nan 0.000 0.443 125 G N -1.697 107.276 108.800 0.288 0.000 2.351 125 G HA2 0.355 4.315 3.960 0.000 0.000 0.353 125 G HA3 0.355 4.315 3.960 0.000 0.000 0.353 125 G C 0.178 175.122 174.900 0.073 0.000 1.358 125 G CA 0.258 45.472 45.100 0.191 0.000 0.995 125 G HN 0.952 nan 8.290 nan 0.000 0.611 126 T N 0.474 114.971 114.554 -0.094 0.000 2.812 126 T HA 0.146 4.496 4.350 0.000 0.000 0.264 126 T C 0.707 175.130 174.700 -0.462 0.000 1.042 126 T CA 1.717 63.615 62.100 -0.336 0.000 1.140 126 T CB -0.245 68.255 68.868 -0.614 0.000 0.870 126 T HN 0.581 nan 8.240 nan 0.000 0.445 127 H N -1.746 117.321 119.070 -0.004 0.000 2.821 127 H HA 0.493 5.049 4.556 0.000 0.000 0.373 127 H C 0.996 176.354 175.328 0.050 0.000 1.165 127 H CA -0.273 55.774 56.048 -0.002 0.000 1.154 127 H CB 1.643 31.366 29.762 -0.065 0.000 1.765 127 H HN 0.299 nan 8.280 nan 0.000 0.549 128 G N 1.385 110.302 108.800 0.196 0.000 2.157 128 G HA2 -0.312 3.649 3.960 0.000 0.000 0.248 128 G HA3 -0.312 3.649 3.960 0.000 0.000 0.248 128 G C 1.123 176.088 174.900 0.109 0.000 0.979 128 G CA 0.513 45.706 45.100 0.155 0.000 0.650 128 G HN 0.572 nan 8.290 nan 0.000 0.529 129 K N -0.418 120.042 120.400 0.100 0.000 2.002 129 K HA -0.032 4.289 4.320 0.000 0.000 0.209 129 K C 2.594 179.227 176.600 0.054 0.000 1.048 129 K CA 1.813 58.145 56.287 0.074 0.000 0.930 129 K CB -0.380 32.162 32.500 0.070 0.000 0.714 129 K HN 0.287 nan 8.250 nan 0.000 0.438 130 T N 0.732 115.318 114.554 0.053 0.000 2.788 130 T HA -0.114 4.237 4.350 0.000 0.000 0.268 130 T C 1.910 176.636 174.700 0.043 0.000 1.044 130 T CA 1.672 63.790 62.100 0.030 0.000 1.139 130 T CB -0.262 68.600 68.868 -0.009 0.000 0.867 130 T HN 0.280 nan 8.240 nan 0.000 0.454 131 T N 1.567 116.164 114.554 0.072 0.000 2.737 131 T HA -0.097 4.253 4.350 0.000 0.000 0.265 131 T C 2.281 176.988 174.700 0.011 0.000 1.038 131 T CA 1.628 63.788 62.100 0.101 0.000 1.144 131 T CB -0.620 68.325 68.868 0.129 0.000 0.866 131 T HN 0.381 nan 8.240 nan 0.000 0.434 132 T N 1.781 116.325 114.554 -0.017 0.000 2.821 132 T HA -0.094 4.256 4.350 0.000 0.000 0.267 132 T C 2.266 176.909 174.700 -0.095 0.000 1.046 132 T CA 1.525 63.572 62.100 -0.087 0.000 1.139 132 T CB -0.629 68.206 68.868 -0.055 0.000 0.871 132 T HN 0.402 nan 8.240 nan 0.000 0.454 133 T N 2.094 116.621 114.554 -0.045 0.000 2.746 133 T HA -0.037 4.314 4.350 0.000 0.000 0.267 133 T C 2.432 177.068 174.700 -0.108 0.000 1.039 133 T CA 1.160 63.227 62.100 -0.055 0.000 1.142 133 T CB -0.570 68.296 68.868 -0.004 0.000 0.866 133 T HN 0.435 nan 8.240 nan 0.000 0.444 134 A N 1.415 124.193 122.820 -0.071 0.000 1.908 134 A HA -0.097 4.223 4.320 0.000 0.000 0.218 134 A C 2.360 179.912 177.584 -0.052 0.000 1.181 134 A CA 1.686 53.688 52.037 -0.059 0.000 0.627 134 A CB -0.737 18.349 19.000 0.145 0.000 0.818 134 A HN 0.456 nan 8.150 nan 0.000 0.445 135 M N -0.724 118.740 119.600 -0.226 0.000 2.086 135 M HA -0.128 4.352 4.480 0.000 0.000 0.261 135 M C 2.135 178.293 176.300 -0.237 0.000 1.067 135 M CA 1.728 56.740 55.300 -0.481 0.000 1.116 135 M CB -0.565 31.661 32.600 -0.623 0.000 1.348 135 M HN 0.412 nan 8.290 nan 0.000 0.407 136 I N -0.395 120.067 120.570 -0.180 0.000 2.163 136 I HA -0.299 3.871 4.170 0.000 0.000 0.243 136 I C 2.414 178.484 176.117 -0.078 0.000 1.085 136 I CA 1.329 62.563 61.300 -0.110 0.000 1.347 136 I CB -0.526 37.380 38.000 -0.157 0.000 1.044 136 I HN 0.249 nan 8.210 nan 0.000 0.408 137 S N 0.464 116.073 115.700 -0.152 0.000 2.382 137 S HA -0.147 4.323 4.470 0.000 0.000 0.228 137 S C 1.980 176.543 174.600 -0.061 0.000 1.027 137 S CA 1.254 59.364 58.200 -0.150 0.000 0.991 137 S CB -0.194 62.719 63.200 -0.479 0.000 0.823 137 S HN 0.317 nan 8.310 nan 0.000 0.469 138 M N 0.901 120.464 119.600 -0.063 0.000 2.175 138 M HA 0.097 4.577 4.480 0.000 0.000 0.264 138 M C 2.042 178.362 176.300 0.033 0.000 1.063 138 M CA 1.070 56.378 55.300 0.014 0.000 1.119 138 M CB -1.277 31.389 32.600 0.109 0.000 1.377 138 M HN 0.297 nan 8.290 nan 0.000 0.415 139 I N -1.205 119.382 120.570 0.027 0.000 2.179 139 I HA -0.326 3.844 4.170 0.000 0.000 0.242 139 I C 2.253 178.388 176.117 0.030 0.000 1.088 139 I CA 1.373 62.685 61.300 0.020 0.000 1.357 139 I CB -0.532 37.476 38.000 0.012 0.000 1.051 139 I HN 0.119 nan 8.210 nan 0.000 0.409 140 Y N 1.034 121.275 120.300 -0.098 0.000 2.224 140 Y HA -0.222 4.329 4.550 0.000 0.000 0.289 140 Y C 2.876 178.744 175.900 -0.055 0.000 1.146 140 Y CA 1.594 59.622 58.100 -0.121 0.000 1.182 140 Y CB -1.102 37.263 38.460 -0.158 0.000 0.983 140 Y HN 0.133 nan 8.280 nan 0.000 0.524 141 T N -0.764 113.871 114.554 0.135 0.000 2.777 141 T HA -0.235 4.115 4.350 0.000 0.000 0.266 141 T C 1.827 176.555 174.700 0.047 0.000 1.040 141 T CA 1.595 63.757 62.100 0.103 0.000 1.141 141 T CB -0.261 68.666 68.868 0.099 0.000 0.868 141 T HN 0.196 nan 8.240 nan 0.000 0.444 142 Q N 1.321 121.135 119.800 0.022 0.000 2.224 142 Q HA 0.148 4.488 4.340 0.000 0.000 0.203 142 Q C 1.925 177.908 176.000 -0.028 0.000 0.970 142 Q CA 1.251 57.053 55.803 -0.001 0.000 0.865 142 Q CB -0.467 28.267 28.738 -0.006 0.000 0.922 142 Q HN 0.490 nan 8.270 nan 0.000 0.445 143 A N -0.046 122.735 122.820 -0.064 0.000 2.252 143 A HA 0.046 4.367 4.320 0.000 0.000 0.207 143 A C 0.015 177.560 177.584 -0.065 0.000 1.194 143 A CA 0.425 52.400 52.037 -0.103 0.000 0.809 143 A CB -0.145 18.721 19.000 -0.224 0.000 0.814 143 A HN 0.292 nan 8.150 nan 0.000 0.482 144 K N -1.601 118.790 120.400 -0.016 0.000 3.160 144 K HA -0.200 4.120 4.320 0.000 0.000 0.280 144 K C 0.412 177.035 176.600 0.039 0.000 1.154 144 K CA 1.144 57.442 56.287 0.018 0.000 0.822 144 K CB -2.675 29.833 32.500 0.012 0.000 1.239 144 K HN 0.592 nan 8.250 nan 0.000 0.489 145 L N 0.025 121.268 121.223 0.033 0.000 2.567 145 L HA 0.052 4.392 4.340 0.000 0.000 0.225 145 L C 0.498 177.496 176.870 0.212 0.000 1.119 145 L CA 0.077 54.974 54.840 0.096 0.000 0.871 145 L CB -0.154 41.860 42.059 -0.074 0.000 1.036 145 L HN 0.175 nan 8.230 nan 0.000 0.459 146 D N 0.788 121.298 120.400 0.183 0.000 2.802 146 D HA -0.122 4.518 4.640 0.000 0.000 0.229 146 D C -2.104 174.365 176.300 0.281 0.000 1.203 146 D CA 0.008 54.139 54.000 0.219 0.000 0.712 146 D CB 0.053 40.958 40.800 0.176 0.000 0.973 146 D HN 0.167 nan 8.370 nan 0.000 0.407 147 P HA 0.137 nan 4.420 nan 0.000 0.274 147 P C -0.146 177.348 177.300 0.322 0.000 1.231 147 P CA -0.313 62.998 63.100 0.353 0.000 0.790 147 P CB 0.878 32.772 31.700 0.322 0.000 0.951 148 T N 2.619 117.309 114.554 0.228 0.000 2.889 148 T HA 0.518 4.868 4.350 0.000 0.000 0.291 148 T C -0.101 174.721 174.700 0.203 0.000 0.995 148 T CA 0.202 62.367 62.100 0.107 0.000 1.092 148 T CB -0.258 68.639 68.868 0.048 0.000 0.954 148 T HN 0.349 nan 8.240 nan 0.000 0.506 149 F N 0.286 120.308 119.950 0.120 0.000 2.601 149 F HA 0.799 5.326 4.527 0.000 0.000 0.309 149 F C -1.467 174.377 175.800 0.073 0.000 1.089 149 F CA -1.465 56.587 58.000 0.086 0.000 0.940 149 F CB 1.119 40.166 39.000 0.077 0.000 1.273 149 F HN 0.218 nan 8.300 nan 0.000 0.450 150 V N 3.152 123.238 119.914 0.287 0.000 2.419 150 V HA 0.428 4.549 4.120 0.000 0.000 0.287 150 V C -1.024 175.196 176.094 0.211 0.000 1.017 150 V CA -0.425 61.986 62.300 0.185 0.000 0.844 150 V CB 1.131 33.012 31.823 0.096 0.000 1.011 150 V HN 0.864 nan 8.190 nan 0.000 0.429 151 N N 2.878 121.719 118.700 0.235 0.000 2.362 151 N HA 0.580 5.320 4.740 0.000 0.000 0.299 151 N C 0.914 176.475 175.510 0.084 0.000 1.170 151 N CA -0.015 53.127 53.050 0.153 0.000 0.825 151 N CB 2.386 40.967 38.487 0.156 0.000 1.299 151 N HN 0.600 nan 8.380 nan 0.000 0.502 152 G N -0.946 107.879 108.800 0.041 0.000 3.262 152 G HA2 0.420 4.380 3.960 0.000 0.000 0.228 152 G HA3 0.420 4.380 3.960 0.000 0.000 0.228 152 G C 0.276 175.146 174.900 -0.050 0.000 1.197 152 G CA 0.225 45.328 45.100 0.003 0.000 0.819 152 G HN 0.656 nan 8.290 nan 0.000 0.531 153 G N -0.832 107.949 108.800 -0.031 0.000 2.623 153 G HA2 0.445 4.405 3.960 0.000 0.000 0.290 153 G HA3 0.445 4.405 3.960 0.000 0.000 0.290 153 G C -1.454 173.437 174.900 -0.016 0.000 1.437 153 G CA -0.952 44.101 45.100 -0.078 0.000 0.798 153 G HN 0.282 nan 8.290 nan 0.000 0.488 154 L N 0.863 122.068 121.223 -0.030 0.000 2.462 154 L HA 0.468 4.808 4.340 0.000 0.000 0.272 154 L C 0.174 177.039 176.870 -0.007 0.000 1.166 154 L CA -0.070 54.772 54.840 0.002 0.000 0.880 154 L CB 1.032 43.080 42.059 -0.017 0.000 1.142 154 L HN 0.224 nan 8.230 nan 0.000 0.473 155 V N 7.291 127.218 119.914 0.021 0.000 2.372 155 V HA 0.127 4.248 4.120 0.000 0.000 0.261 155 V C 1.260 177.324 176.094 -0.050 0.000 1.055 155 V CA -0.327 61.941 62.300 -0.053 0.000 0.930 155 V CB 0.414 32.135 31.823 -0.170 0.000 1.031 155 V HN 0.848 nan 8.190 nan 0.000 0.479 156 K N 2.143 122.479 120.400 -0.107 0.000 2.074 156 K HA -0.158 4.163 4.320 0.000 0.000 0.209 156 K C 2.186 178.739 176.600 -0.078 0.000 1.048 156 K CA 1.771 57.998 56.287 -0.100 0.000 0.926 156 K CB -0.137 32.276 32.500 -0.145 0.000 0.713 156 K HN 0.587 nan 8.250 nan 0.000 0.444 157 S N 0.294 115.934 115.700 -0.099 0.000 2.419 157 S HA -0.094 4.376 4.470 0.000 0.000 0.233 157 S C 1.820 176.406 174.600 -0.023 0.000 1.016 157 S CA 1.174 59.337 58.200 -0.062 0.000 0.974 157 S CB -0.015 63.151 63.200 -0.056 0.000 0.786 157 S HN 0.440 nan 8.310 nan 0.000 0.492 158 A N -0.084 122.736 122.820 0.001 0.000 2.220 158 A HA 0.530 4.850 4.320 0.000 0.000 0.211 158 A C 1.614 179.229 177.584 0.051 0.000 1.176 158 A CA 0.736 52.800 52.037 0.044 0.000 0.834 158 A CB -0.498 18.601 19.000 0.165 0.000 0.868 158 A HN 0.798 nan 8.150 nan 0.000 0.488 159 G N -0.885 107.937 108.800 0.037 0.000 2.155 159 G HA2 -0.225 3.736 3.960 0.000 0.000 0.257 159 G HA3 -0.225 3.736 3.960 0.000 0.000 0.257 159 G C 0.034 174.966 174.900 0.054 0.000 0.983 159 G CA 0.811 45.930 45.100 0.031 0.000 0.676 159 G HN 0.473 nan 8.290 nan 0.000 0.528 160 K N -1.256 119.207 120.400 0.106 0.000 2.556 160 K HA 0.360 4.680 4.320 0.000 0.000 0.274 160 K C 0.360 177.080 176.600 0.199 0.000 0.966 160 K CA -0.893 55.467 56.287 0.120 0.000 0.865 160 K CB 1.011 33.581 32.500 0.117 0.000 1.444 160 K HN -0.030 nan 8.250 nan 0.000 0.433 161 N N 0.168 118.952 118.700 0.140 0.000 2.416 161 N HA 0.056 4.796 4.740 0.000 0.000 0.177 161 N C -0.131 175.540 175.510 0.268 0.000 1.036 161 N CA 0.447 53.604 53.050 0.179 0.000 0.901 161 N CB 0.352 38.885 38.487 0.077 0.000 0.976 161 N HN 0.587 nan 8.380 nan 0.000 0.444 162 A N -0.768 122.112 122.820 0.100 0.000 2.572 162 A HA 0.651 4.972 4.320 0.000 0.000 0.295 162 A C -1.695 175.654 177.584 -0.392 0.000 1.072 162 A CA -0.530 51.410 52.037 -0.162 0.000 0.691 162 A CB 1.399 20.350 19.000 -0.080 0.000 1.291 162 A HN 0.308 nan 8.150 nan 0.000 0.404 163 H N 0.277 118.831 119.070 -0.860 0.000 3.087 163 H HA 0.538 5.095 4.556 0.000 0.000 0.348 163 H C -1.954 173.124 175.328 -0.418 0.000 1.092 163 H CA -0.462 55.192 56.048 -0.657 0.000 1.285 163 H CB 1.163 30.370 29.762 -0.925 0.000 1.875 163 H HN 0.834 nan 8.280 nan 0.000 0.512 164 L N 4.814 125.600 121.223 -0.728 0.000 2.290 164 L HA 0.676 5.017 4.340 0.000 0.000 0.284 164 L C 0.166 176.681 176.870 -0.591 0.000 1.078 164 L CA 0.471 55.022 54.840 -0.481 0.000 0.815 164 L CB 0.664 42.564 42.059 -0.265 0.000 1.162 164 L HN 0.785 nan 8.230 nan 0.000 0.435 165 G N 2.948 111.615 108.800 -0.221 0.000 2.471 165 G HA2 0.562 4.522 3.960 0.000 0.000 0.332 165 G HA3 0.562 4.522 3.960 0.000 0.000 0.332 165 G C 0.186 175.093 174.900 0.011 0.000 1.176 165 G CA -0.213 44.873 45.100 -0.023 0.000 0.949 165 G HN 0.957 nan 8.290 nan 0.000 0.488 166 A N -0.091 122.757 122.820 0.047 0.000 2.251 166 A HA 0.381 4.701 4.320 0.000 0.000 0.209 166 A C 1.781 179.390 177.584 0.042 0.000 1.187 166 A CA 0.998 53.051 52.037 0.027 0.000 0.823 166 A CB -0.504 18.504 19.000 0.014 0.000 0.846 166 A HN 1.053 nan 8.150 nan 0.000 0.486 167 S N -1.087 114.666 115.700 0.087 0.000 2.623 167 S HA 0.385 4.855 4.470 0.000 0.000 0.278 167 S C 0.854 175.475 174.600 0.035 0.000 1.148 167 S CA -0.158 58.092 58.200 0.084 0.000 1.028 167 S CB 0.656 63.985 63.200 0.215 0.000 1.145 167 S HN 0.314 nan 8.310 nan 0.000 0.523 168 R N -1.428 119.030 120.500 -0.071 0.000 2.276 168 R HA 0.221 4.561 4.340 0.000 0.000 0.196 168 R C -0.526 175.712 176.300 -0.104 0.000 0.961 168 R CA -0.014 56.010 56.100 -0.126 0.000 1.024 168 R CB -0.221 29.931 30.300 -0.247 0.000 0.940 168 R HN 0.658 nan 8.270 nan 0.000 0.480 169 Y N 0.305 120.688 120.300 0.139 0.000 2.346 169 Y HA 0.221 4.771 4.550 0.000 0.000 0.330 169 Y C -0.202 175.773 175.900 0.126 0.000 1.178 169 Y CA -0.612 57.587 58.100 0.165 0.000 1.331 169 Y CB 1.044 39.618 38.460 0.189 0.000 1.253 169 Y HN -0.040 nan 8.280 nan 0.000 0.529 170 L N 5.152 126.536 121.223 0.270 0.000 2.406 170 L HA 0.548 4.888 4.340 0.000 0.000 0.272 170 L C -1.683 175.261 176.870 0.123 0.000 0.980 170 L CA -0.693 54.251 54.840 0.173 0.000 0.831 170 L CB 0.976 43.109 42.059 0.122 0.000 1.253 170 L HN 0.386 nan 8.230 nan 0.000 0.406 171 I N 4.906 125.547 120.570 0.118 0.000 2.339 171 I HA 0.752 4.922 4.170 0.000 0.000 0.290 171 I C 0.093 176.279 176.117 0.115 0.000 0.994 171 I CA -0.595 60.736 61.300 0.052 0.000 1.191 171 I CB 0.881 38.873 38.000 -0.013 0.000 1.343 171 I HN 0.786 nan 8.210 nan 0.000 0.458 172 A N 5.237 128.110 122.820 0.089 0.000 2.398 172 A HA 0.511 4.831 4.320 0.000 0.000 0.301 172 A C -0.326 177.316 177.584 0.096 0.000 1.041 172 A CA -0.699 51.401 52.037 0.106 0.000 0.711 172 A CB 1.439 20.501 19.000 0.104 0.000 1.240 172 A HN 0.741 nan 8.150 nan 0.000 0.420 173 E N 1.669 121.924 120.200 0.091 0.000 2.384 173 E HA 0.471 4.822 4.350 0.000 0.000 0.266 173 E C -0.045 176.605 176.600 0.083 0.000 1.012 173 E CA -0.028 56.419 56.400 0.078 0.000 0.901 173 E CB 0.694 30.431 29.700 0.062 0.000 0.967 173 E HN 0.824 nan 8.360 nan 0.000 0.435 174 A N 4.755 127.625 122.820 0.084 0.000 2.285 174 A HA 0.228 4.549 4.320 0.000 0.000 0.310 174 A C -1.061 176.506 177.584 -0.029 0.000 1.266 174 A CA -0.817 51.269 52.037 0.082 0.000 0.832 174 A CB 1.145 20.229 19.000 0.140 0.000 1.163 174 A HN 0.689 nan 8.150 nan 0.000 0.499 175 D N 2.445 122.784 120.400 -0.102 0.000 2.313 175 D HA 0.155 4.796 4.640 0.000 0.000 0.239 175 D C 1.319 177.222 176.300 -0.662 0.000 1.142 175 D CA -0.244 53.604 54.000 -0.253 0.000 0.847 175 D CB 1.062 41.787 40.800 -0.125 0.000 1.082 175 D HN 0.598 nan 8.370 nan 0.000 0.480 176 E N 1.912 121.560 120.200 -0.920 0.000 2.274 176 E HA -0.087 4.263 4.350 0.000 0.000 0.194 176 E C -0.006 176.143 176.600 -0.752 0.000 0.996 176 E CA 0.127 55.608 56.400 -1.533 0.000 0.840 176 E CB -0.521 28.476 29.700 -1.170 0.000 0.772 176 E HN 0.236 nan 8.360 nan 0.000 0.491 177 S N 2.894 118.358 115.700 -0.394 0.000 2.673 177 S HA -0.064 4.406 4.470 0.000 0.000 0.308 177 S C -0.147 174.359 174.600 -0.156 0.000 1.246 177 S CA 0.623 58.705 58.200 -0.197 0.000 1.077 177 S CB -0.146 62.994 63.200 -0.101 0.000 0.814 177 S HN 0.234 nan 8.310 nan 0.000 0.503 178 D N 1.742 122.081 120.400 -0.102 0.000 2.686 178 D HA -0.254 4.387 4.640 0.000 0.000 0.235 178 D C 0.875 177.154 176.300 -0.036 0.000 1.160 178 D CA 1.080 55.052 54.000 -0.047 0.000 0.645 178 D CB -1.613 39.181 40.800 -0.010 0.000 1.039 178 D HN 1.069 nan 8.370 nan 0.000 0.423 179 A N -0.688 122.083 122.820 -0.081 0.000 2.790 179 A HA -0.359 3.961 4.320 0.000 0.000 0.277 179 A C 2.064 179.703 177.584 0.092 0.000 1.435 179 A CA 2.300 54.346 52.037 0.014 0.000 0.877 179 A CB -2.054 16.970 19.000 0.041 0.000 1.007 179 A HN 1.097 nan 8.150 nan 0.000 0.613 180 S N 0.047 115.762 115.700 0.026 0.000 2.399 180 S HA -0.171 4.299 4.470 0.000 0.000 0.231 180 S C 1.729 176.524 174.600 0.325 0.000 1.022 180 S CA 1.537 59.849 58.200 0.186 0.000 0.983 180 S CB -1.043 62.206 63.200 0.081 0.000 0.803 180 S HN 1.610 nan 8.310 nan 0.000 0.480 181 F N 0.806 120.735 119.950 -0.035 0.000 2.408 181 F HA 0.143 4.670 4.527 0.000 0.000 0.300 181 F C 1.734 177.620 175.800 0.143 0.000 1.090 181 F CA 0.028 58.003 58.000 -0.042 0.000 1.427 181 F CB -0.526 38.217 39.000 -0.427 0.000 1.070 181 F HN 0.138 nan 8.300 nan 0.000 0.549 182 L N 0.522 121.954 121.223 0.349 0.000 2.362 182 L HA -0.179 4.161 4.340 0.000 0.000 0.219 182 L C 2.013 178.871 176.870 -0.020 0.000 1.134 182 L CA 1.169 56.058 54.840 0.082 0.000 0.807 182 L CB -0.933 41.120 42.059 -0.010 0.000 0.927 182 L HN 0.273 nan 8.230 nan 0.000 0.447 183 H N -0.770 118.360 119.070 0.100 0.000 2.470 183 H HA 0.096 4.653 4.556 0.000 0.000 0.289 183 H C 0.652 175.999 175.328 0.031 0.000 1.033 183 H CA 0.025 56.101 56.048 0.048 0.000 1.331 183 H CB 0.003 29.791 29.762 0.043 0.000 1.414 183 H HN 0.159 nan 8.280 nan 0.000 0.545 184 L N 1.511 122.846 121.223 0.186 0.000 2.426 184 L HA 0.091 4.431 4.340 0.000 0.000 0.271 184 L C 0.194 177.059 176.870 -0.009 0.000 1.169 184 L CA -0.046 54.859 54.840 0.108 0.000 0.836 184 L CB 0.621 42.794 42.059 0.190 0.000 1.112 184 L HN 0.225 nan 8.230 nan 0.000 0.465 185 Q N 3.427 123.195 119.800 -0.052 0.000 2.788 185 Q HA 0.360 4.700 4.340 0.000 0.000 0.261 185 Q C -2.367 173.547 176.000 -0.144 0.000 1.029 185 Q CA -1.574 54.155 55.803 -0.124 0.000 0.848 185 Q CB 1.457 30.123 28.738 -0.119 0.000 1.185 185 Q HN 0.378 nan 8.270 nan 0.000 0.482 186 P HA 0.340 nan 4.420 nan 0.000 0.280 186 P C 0.694 177.853 177.300 -0.234 0.000 1.272 186 P CA -0.557 62.440 63.100 -0.172 0.000 0.819 186 P CB 1.097 32.712 31.700 -0.141 0.000 1.122 187 M N -0.809 118.628 119.600 -0.271 0.000 2.466 187 M HA 0.137 4.617 4.480 0.000 0.000 0.265 187 M C 0.143 176.317 176.300 -0.209 0.000 1.122 187 M CA 0.814 55.930 55.300 -0.308 0.000 1.157 187 M CB -0.168 32.077 32.600 -0.592 0.000 1.352 187 M HN 0.033 nan 8.290 nan 0.000 0.464 188 V N 0.134 119.952 119.914 -0.160 0.000 2.686 188 V HA 0.392 4.512 4.120 0.000 0.000 0.306 188 V C -0.702 175.357 176.094 -0.058 0.000 1.065 188 V CA -0.651 61.607 62.300 -0.069 0.000 0.894 188 V CB 2.231 34.058 31.823 0.007 0.000 1.004 188 V HN 0.101 nan 8.190 nan 0.000 0.424 189 S N 3.112 118.786 115.700 -0.042 0.000 2.605 189 S HA 0.612 5.083 4.470 0.000 0.000 0.308 189 S C -0.452 174.208 174.600 0.101 0.000 1.113 189 S CA -0.503 57.711 58.200 0.025 0.000 1.049 189 S CB 1.766 64.907 63.200 -0.097 0.000 1.001 189 S HN 0.460 nan 8.310 nan 0.000 0.480 190 V N 3.692 123.690 119.914 0.140 0.000 2.509 190 V HA 0.469 4.589 4.120 0.000 0.000 0.284 190 V C -0.229 176.002 176.094 0.228 0.000 1.047 190 V CA -0.526 61.865 62.300 0.153 0.000 0.952 190 V CB 1.483 33.357 31.823 0.085 0.000 0.988 190 V HN 0.655 nan 8.190 nan 0.000 0.469 191 V N 4.010 124.065 119.914 0.234 0.000 2.409 191 V HA 0.241 4.361 4.120 0.000 0.000 0.290 191 V C 1.032 177.246 176.094 0.199 0.000 1.017 191 V CA 0.064 62.502 62.300 0.230 0.000 0.841 191 V CB 1.376 33.324 31.823 0.208 0.000 1.003 191 V HN 1.053 nan 8.190 nan 0.000 0.426 192 T N 1.221 115.886 114.554 0.186 0.000 2.942 192 T HA 0.056 4.407 4.350 0.000 0.000 0.265 192 T C 0.559 175.319 174.700 0.100 0.000 1.062 192 T CA 1.198 63.422 62.100 0.208 0.000 1.139 192 T CB -0.171 68.807 68.868 0.183 0.000 0.883 192 T HN 0.850 nan 8.240 nan 0.000 0.468 193 N N -0.863 117.855 118.700 0.030 0.000 3.951 193 N HA 0.329 5.070 4.740 0.000 0.000 0.222 193 N C -1.723 173.723 175.510 -0.107 0.000 1.352 193 N CA -0.907 52.131 53.050 -0.021 0.000 0.852 193 N CB 0.940 39.453 38.487 0.043 0.000 1.444 193 N HN 0.221 nan 8.380 nan 0.000 0.473 194 M N 0.573 120.115 119.600 -0.096 0.000 2.182 194 M HA 0.377 4.857 4.480 0.000 0.000 0.266 194 M C -1.956 174.396 176.300 0.087 0.000 0.989 194 M CA -0.172 55.063 55.300 -0.108 0.000 1.003 194 M CB 1.412 33.836 32.600 -0.292 0.000 1.812 194 M HN 0.770 nan 8.290 nan 0.000 0.472 195 E N 6.102 126.313 120.200 0.018 0.000 2.248 195 E HA 0.650 5.000 4.350 0.000 0.000 0.267 195 E C -2.656 173.877 176.600 -0.112 0.000 0.877 195 E CA -1.859 54.504 56.400 -0.061 0.000 0.759 195 E CB 2.450 32.113 29.700 -0.062 0.000 1.182 195 E HN 0.330 nan 8.360 nan 0.000 0.418 196 P HA 0.157 nan 4.420 nan 0.000 0.285 196 P C -0.887 176.384 177.300 -0.050 0.000 1.282 196 P CA -0.012 62.829 63.100 -0.432 0.000 0.778 196 P CB 0.458 31.691 31.700 -0.779 0.000 1.222 206 F N 2.833 122.805 119.950 0.036 0.000 2.171 206 F HA -0.053 4.475 4.527 0.000 0.000 0.300 206 F C 2.093 177.917 175.800 0.040 0.000 1.090 206 F CA 1.544 59.565 58.000 0.036 0.000 1.293 206 F CB 0.176 39.191 39.000 0.025 0.000 1.013 206 F HN -0.069 nan 8.300 nan 0.000 0.486 207 E N 0.242 120.457 120.200 0.025 0.000 2.150 207 E HA -0.162 4.188 4.350 0.000 0.000 0.193 207 E C 2.132 178.694 176.600 -0.064 0.000 0.985 207 E CA 0.837 57.198 56.400 -0.065 0.000 0.814 207 E CB -0.253 29.451 29.700 0.006 0.000 0.752 207 E HN 0.480 nan 8.360 nan 0.000 0.466 208 K N 0.503 120.897 120.400 -0.010 0.000 2.057 208 K HA -0.039 4.282 4.320 0.000 0.000 0.206 208 K C 2.240 178.841 176.600 0.000 0.000 1.050 208 K CA 1.088 57.379 56.287 0.006 0.000 0.935 208 K CB -0.161 32.358 32.500 0.031 0.000 0.715 208 K HN 0.087 nan 8.250 nan 0.000 0.439 209 M N 1.532 121.123 119.600 -0.016 0.000 2.086 209 M HA -0.228 4.252 4.480 0.000 0.000 0.261 209 M C 1.666 177.981 176.300 0.024 0.000 1.067 209 M CA 1.778 57.095 55.300 0.028 0.000 1.116 209 M CB 0.006 32.641 32.600 0.058 0.000 1.348 209 M HN -0.068 nan 8.290 nan 0.000 0.407 210 K N 0.540 120.801 120.400 -0.233 0.000 2.044 210 K HA -0.162 4.159 4.320 0.000 0.000 0.210 210 K C 2.023 178.614 176.600 -0.016 0.000 1.049 210 K CA 1.828 58.000 56.287 -0.192 0.000 0.927 210 K CB -0.481 31.832 32.500 -0.312 0.000 0.713 210 K HN 0.516 nan 8.250 nan 0.000 0.443 211 A N 0.684 123.491 122.820 -0.021 0.000 1.972 211 A HA -0.141 4.179 4.320 0.000 0.000 0.219 211 A C 2.160 179.765 177.584 0.035 0.000 1.169 211 A CA 1.902 53.940 52.037 0.001 0.000 0.635 211 A CB -0.783 18.216 19.000 -0.001 0.000 0.810 211 A HN 0.268 nan 8.150 nan 0.000 0.446 212 T N -1.491 113.112 114.554 0.082 0.000 2.821 212 T HA -0.104 4.246 4.350 0.000 0.000 0.267 212 T C 1.647 176.421 174.700 0.123 0.000 1.046 212 T CA 1.551 63.718 62.100 0.112 0.000 1.139 212 T CB -0.380 68.567 68.868 0.133 0.000 0.871 212 T HN 0.573 nan 8.240 nan 0.000 0.454 213 Y N 0.780 121.139 120.300 0.099 0.000 2.242 213 Y HA -0.054 4.496 4.550 0.000 0.000 0.291 213 Y C 2.513 178.395 175.900 -0.030 0.000 1.137 213 Y CA 0.401 58.553 58.100 0.087 0.000 1.181 213 Y CB -0.514 37.993 38.460 0.079 0.000 0.989 213 Y HN -0.010 nan 8.280 nan 0.000 0.527 214 V N 0.125 120.064 119.914 0.042 0.000 2.343 214 V HA -0.298 3.822 4.120 0.000 0.000 0.247 214 V C 2.244 178.113 176.094 -0.376 0.000 1.051 214 V CA 1.777 63.959 62.300 -0.196 0.000 1.036 214 V CB -0.433 31.273 31.823 -0.196 0.000 0.654 214 V HN 0.339 nan 8.190 nan 0.000 0.451 215 K N -0.860 119.429 120.400 -0.185 0.000 2.057 215 K HA -0.188 4.132 4.320 0.000 0.000 0.207 215 K C 2.121 178.634 176.600 -0.144 0.000 1.049 215 K CA 1.772 57.980 56.287 -0.133 0.000 0.931 215 K CB -0.360 32.118 32.500 -0.036 0.000 0.714 215 K HN 0.455 nan 8.250 nan 0.000 0.440 216 F N 2.111 121.833 119.950 -0.379 0.000 2.095 216 F HA -0.214 4.313 4.527 0.000 0.000 0.298 216 F C 1.787 177.378 175.800 -0.349 0.000 1.104 216 F CA 1.458 59.124 58.000 -0.557 0.000 1.232 216 F CB -0.378 37.922 39.000 -1.166 0.000 0.987 216 F HN -0.092 nan 8.300 nan 0.000 0.475 217 L N -0.658 120.344 121.223 -0.369 0.000 2.201 217 L HA -0.224 4.116 4.340 0.000 0.000 0.212 217 L C 2.301 179.037 176.870 -0.222 0.000 1.105 217 L CA 1.359 55.978 54.840 -0.369 0.000 0.775 217 L CB -1.017 40.949 42.059 -0.154 0.000 0.913 217 L HN 0.267 nan 8.230 nan 0.000 0.440 218 H N -0.651 118.301 119.070 -0.197 0.000 2.545 218 H HA -0.067 4.490 4.556 0.000 0.000 0.282 218 H C 1.534 176.744 175.328 -0.197 0.000 1.020 218 H CA 0.245 56.199 56.048 -0.156 0.000 1.243 218 H CB 0.171 29.875 29.762 -0.097 0.000 1.377 218 H HN 0.335 nan 8.280 nan 0.000 0.581 219 N N 0.533 119.129 118.700 -0.174 0.000 2.512 219 N HA -0.020 4.720 4.740 0.000 0.000 0.183 219 N C 0.167 175.524 175.510 -0.255 0.000 1.073 219 N CA 0.307 53.227 53.050 -0.217 0.000 0.911 219 N CB 0.088 38.403 38.487 -0.287 0.000 0.964 219 N HN 0.275 nan 8.380 nan 0.000 0.447 220 L N 2.314 123.366 121.223 -0.285 0.000 2.461 220 L HA 0.138 4.478 4.340 0.000 0.000 0.272 220 L C -1.659 175.030 176.870 -0.302 0.000 1.197 220 L CA -1.378 53.282 54.840 -0.300 0.000 0.836 220 L CB 0.198 42.095 42.059 -0.270 0.000 1.105 220 L HN -0.015 nan 8.230 nan 0.000 0.477 221 P HA -0.071 nan 4.420 nan 0.000 0.272 221 P C 0.608 177.575 177.300 -0.555 0.000 1.240 221 P CA -0.270 62.477 63.100 -0.588 0.000 0.791 221 P CB 0.352 31.330 31.700 -1.203 0.000 0.978 222 F N 0.656 120.422 119.950 -0.307 0.000 2.192 222 F HA -0.224 4.304 4.527 0.000 0.000 0.301 222 F C 1.842 177.586 175.800 -0.094 0.000 1.079 222 F CA 0.995 58.907 58.000 -0.147 0.000 1.303 222 F CB -2.124 36.859 39.000 -0.027 0.000 1.024 222 F HN 0.273 nan 8.300 nan 0.000 0.494 223 Y N 0.225 120.094 120.300 -0.718 0.000 2.490 223 Y HA 0.585 5.136 4.550 0.000 0.000 0.281 223 Y C 1.306 177.088 175.900 -0.197 0.000 1.174 223 Y CA -1.146 56.714 58.100 -0.400 0.000 1.295 223 Y CB -1.262 36.868 38.460 -0.550 0.000 1.062 223 Y HN 0.092 nan 8.280 nan 0.000 0.522 224 G N 1.399 109.957 108.800 -0.403 0.000 2.651 224 G HA2 0.386 4.346 3.960 0.000 0.000 0.260 224 G HA3 0.386 4.346 3.960 0.000 0.000 0.260 224 G C -1.255 173.595 174.900 -0.083 0.000 1.216 224 G CA -0.713 44.239 45.100 -0.247 0.000 0.913 224 G HN 0.313 nan 8.290 nan 0.000 0.535 225 L N 0.375 121.567 121.223 -0.051 0.000 2.362 225 L HA 0.654 4.994 4.340 0.000 0.000 0.275 225 L C 0.059 176.923 176.870 -0.010 0.000 0.998 225 L CA -0.953 53.887 54.840 0.000 0.000 0.820 225 L CB 1.769 43.852 42.059 0.041 0.000 1.270 225 L HN 0.622 nan 8.230 nan 0.000 0.415 226 A N 4.850 127.678 122.820 0.013 0.000 2.276 226 A HA 0.649 4.969 4.320 0.000 0.000 0.316 226 A C -0.879 176.750 177.584 0.074 0.000 1.229 226 A CA -0.409 51.647 52.037 0.031 0.000 0.851 226 A CB 1.240 20.256 19.000 0.026 0.000 1.165 226 A HN 0.429 nan 8.150 nan 0.000 0.513 227 V N 4.490 124.463 119.914 0.099 0.000 2.378 227 V HA 0.495 4.616 4.120 0.000 0.000 0.288 227 V C -0.137 176.095 176.094 0.231 0.000 1.016 227 V CA 0.056 62.446 62.300 0.150 0.000 0.840 227 V CB 0.836 32.713 31.823 0.090 0.000 0.994 227 V HN 0.969 nan 8.190 nan 0.000 0.431 228 M N 4.098 123.834 119.600 0.228 0.000 2.518 228 M HA 0.440 4.920 4.480 0.000 0.000 0.300 228 M C -0.510 175.709 176.300 -0.134 0.000 1.175 228 M CA -0.322 55.054 55.300 0.127 0.000 0.890 228 M CB 2.187 34.820 32.600 0.054 0.000 1.710 228 M HN 0.569 nan 8.290 nan 0.000 0.453 229 C N 2.220 121.307 119.300 -0.354 0.000 2.566 229 C HA 0.489 4.949 4.460 0.000 0.000 0.393 229 C C 1.622 176.362 174.990 -0.416 0.000 1.309 229 C CA 0.102 58.592 59.018 -0.879 0.000 1.801 229 C CB -0.486 26.895 27.740 -0.598 0.000 2.493 229 C HN 1.010 nan 8.230 nan 0.000 0.575 230 A N 3.850 126.438 122.820 -0.386 0.000 2.067 230 A HA -0.050 4.271 4.320 0.000 0.000 0.219 230 A C 1.669 179.188 177.584 -0.109 0.000 1.158 230 A CA 1.594 53.532 52.037 -0.165 0.000 0.661 230 A CB -0.266 18.671 19.000 -0.104 0.000 0.801 230 A HN 0.900 nan 8.150 nan 0.000 0.452 231 D N 0.109 120.432 120.400 -0.128 0.000 2.349 231 D HA 0.016 4.657 4.640 0.000 0.000 0.224 231 D C -0.024 176.246 176.300 -0.050 0.000 1.029 231 D CA 0.337 54.306 54.000 -0.053 0.000 0.879 231 D CB 0.062 40.861 40.800 -0.001 0.000 0.906 231 D HN 0.391 nan 8.370 nan 0.000 0.528 232 D N 0.543 120.899 120.400 -0.072 0.000 2.373 232 D HA 0.097 4.738 4.640 0.000 0.000 0.227 232 D C -1.781 174.499 176.300 -0.033 0.000 1.091 232 D CA -2.041 51.932 54.000 -0.046 0.000 0.840 232 D CB 2.377 43.145 40.800 -0.054 0.000 1.060 232 D HN -0.141 nan 8.370 nan 0.000 0.502 233 P HA -0.096 nan 4.420 nan 0.000 0.219 233 P C 1.658 178.959 177.300 0.001 0.000 1.150 233 P CA 0.298 63.395 63.100 -0.006 0.000 0.814 233 P CB 0.510 32.211 31.700 0.002 0.000 0.787 234 V N -0.210 119.712 119.914 0.014 0.000 2.358 234 V HA -0.211 3.909 4.120 0.000 0.000 0.246 234 V C 2.486 178.564 176.094 -0.028 0.000 1.047 234 V CA 1.565 63.876 62.300 0.018 0.000 1.035 234 V CB -1.170 30.695 31.823 0.071 0.000 0.658 234 V HN 0.059 nan 8.190 nan 0.000 0.452 235 L N -1.124 120.073 121.223 -0.044 0.000 2.046 235 L HA -0.180 4.160 4.340 0.000 0.000 0.208 235 L C 2.601 179.450 176.870 -0.034 0.000 1.077 235 L CA 1.251 56.057 54.840 -0.056 0.000 0.747 235 L CB -0.527 41.494 42.059 -0.063 0.000 0.896 235 L HN 0.298 nan 8.230 nan 0.000 0.432 236 M N -0.609 118.973 119.600 -0.029 0.000 2.229 236 M HA -0.197 4.283 4.480 0.000 0.000 0.264 236 M C 2.075 178.370 176.300 -0.008 0.000 1.063 236 M CA 1.396 56.686 55.300 -0.017 0.000 1.114 236 M CB -0.956 31.634 32.600 -0.018 0.000 1.387 236 M HN 0.285 nan 8.290 nan 0.000 0.420 237 E N 0.587 120.782 120.200 -0.008 0.000 2.153 237 E HA -0.127 4.223 4.350 0.000 0.000 0.194 237 E C 1.863 178.459 176.600 -0.006 0.000 0.988 237 E CA 0.756 57.154 56.400 -0.004 0.000 0.811 237 E CB 0.079 29.779 29.700 -0.000 0.000 0.746 237 E HN 0.470 nan 8.360 nan 0.000 0.466 238 L N -0.207 121.007 121.223 -0.016 0.000 2.509 238 L HA -0.024 4.316 4.340 0.000 0.000 0.222 238 L C 2.095 178.965 176.870 -0.000 0.000 1.123 238 L CA -0.186 54.644 54.840 -0.016 0.000 0.856 238 L CB 0.145 42.183 42.059 -0.035 0.000 0.985 238 L HN 0.061 nan 8.230 nan 0.000 0.456 239 V N 1.173 121.090 119.914 0.005 0.000 2.250 239 V HA -0.231 3.889 4.120 0.000 0.000 0.250 239 V C -0.069 176.041 176.094 0.027 0.000 1.060 239 V CA 2.241 64.551 62.300 0.017 0.000 1.030 239 V CB -1.505 30.328 31.823 0.016 0.000 0.643 239 V HN 0.389 nan 8.190 nan 0.000 0.445 240 P HA -0.129 nan 4.420 nan 0.000 0.221 240 P C 1.374 178.701 177.300 0.045 0.000 1.145 240 P CA 1.258 64.376 63.100 0.031 0.000 0.795 240 P CB -0.071 31.642 31.700 0.023 0.000 0.775 241 K N -1.084 119.344 120.400 0.046 0.000 2.459 241 K HA 0.039 4.359 4.320 0.000 0.000 0.193 241 K C 1.629 178.317 176.600 0.147 0.000 1.030 241 K CA 0.242 56.575 56.287 0.078 0.000 1.026 241 K CB -0.178 32.346 32.500 0.041 0.000 0.809 241 K HN 0.017 nan 8.250 nan 0.000 0.504 242 V N 0.486 120.460 119.914 0.100 0.000 2.270 242 V HA -0.126 3.994 4.120 0.000 0.000 0.245 242 V C 1.582 177.807 176.094 0.219 0.000 1.043 242 V CA 1.995 64.368 62.300 0.122 0.000 1.014 242 V CB -0.777 31.079 31.823 0.054 0.000 0.645 242 V HN 0.620 nan 8.190 nan 0.000 0.447 243 G N 0.075 108.947 108.800 0.120 0.000 2.148 243 G HA2 -0.227 3.734 3.960 0.000 0.000 0.254 243 G HA3 -0.227 3.734 3.960 0.000 0.000 0.254 243 G C 0.193 175.123 174.900 0.049 0.000 0.981 243 G CA 0.348 45.485 45.100 0.063 0.000 0.670 243 G HN 0.444 nan 8.290 nan 0.000 0.528 244 R N -0.486 120.049 120.500 0.058 0.000 2.836 244 R HA 0.467 4.807 4.340 0.000 0.000 0.269 244 R C 0.075 176.403 176.300 0.047 0.000 1.010 244 R CA -0.960 55.165 56.100 0.042 0.000 0.930 244 R CB 0.550 30.855 30.300 0.008 0.000 1.218 244 R HN 0.369 nan 8.270 nan 0.000 0.473 245 Q N 1.248 121.078 119.800 0.051 0.000 2.283 245 Q HA 0.104 4.445 4.340 0.000 0.000 0.301 245 Q C -0.940 175.094 176.000 0.057 0.000 1.063 245 Q CA 0.405 56.243 55.803 0.059 0.000 0.952 245 Q CB 0.604 29.385 28.738 0.071 0.000 1.166 245 Q HN 0.269 nan 8.270 nan 0.000 0.381 246 V N 6.154 126.106 119.914 0.063 0.000 2.495 246 V HA 0.413 4.533 4.120 0.000 0.000 0.298 246 V C -0.278 175.871 176.094 0.091 0.000 1.031 246 V CA -0.761 61.581 62.300 0.070 0.000 0.871 246 V CB 1.778 33.635 31.823 0.058 0.000 0.988 246 V HN 0.706 nan 8.190 nan 0.000 0.432 247 I N 4.259 124.900 120.570 0.118 0.000 2.433 247 I HA 0.495 4.665 4.170 0.000 0.000 0.292 247 I C 0.442 176.673 176.117 0.190 0.000 1.001 247 I CA -0.031 61.370 61.300 0.169 0.000 1.119 247 I CB 2.292 40.416 38.000 0.207 0.000 1.289 247 I HN 0.802 nan 8.210 nan 0.000 0.438 248 T N 4.149 118.817 114.554 0.189 0.000 2.952 248 T HA 0.773 5.123 4.350 0.000 0.000 0.286 248 T C -0.753 174.100 174.700 0.254 0.000 1.024 248 T CA -0.537 61.653 62.100 0.150 0.000 1.029 248 T CB 2.016 70.906 68.868 0.037 0.000 1.094 248 T HN 0.462 nan 8.240 nan 0.000 0.515 249 Y N -1.494 118.850 120.300 0.073 0.000 2.562 249 Y HA 0.827 5.377 4.550 0.001 0.000 0.345 249 Y C -0.113 175.785 175.900 -0.003 0.000 1.045 249 Y CA -0.631 57.504 58.100 0.058 0.000 1.028 249 Y CB 1.319 39.788 38.460 0.015 0.000 1.297 249 Y HN 1.266 nan 8.280 nan 0.000 0.463 250 G N 0.760 109.565 108.800 0.009 0.000 2.350 250 G HA2 0.017 3.977 3.960 0.000 0.000 0.282 250 G HA3 0.017 3.977 3.960 0.000 0.000 0.282 250 G C -1.006 173.779 174.900 -0.192 0.000 1.314 250 G CA -0.518 44.503 45.100 -0.130 0.000 0.915 250 G HN 0.610 nan 8.290 nan 0.000 0.499 251 F N 1.354 121.287 119.950 -0.028 0.000 2.512 251 F HA 0.290 4.817 4.527 0.000 0.000 0.296 251 F C 2.239 178.035 175.800 -0.008 0.000 1.110 251 F CA 0.984 58.975 58.000 -0.015 0.000 1.446 251 F CB 0.262 39.239 39.000 -0.039 0.000 1.092 251 F HN 0.440 nan 8.300 nan 0.000 0.554 252 S N 0.941 116.721 115.700 0.133 0.000 2.558 252 S HA -0.107 4.363 4.470 0.000 0.000 0.291 252 S C 1.455 176.088 174.600 0.055 0.000 1.306 252 S CA -0.303 57.940 58.200 0.073 0.000 1.056 252 S CB 0.594 63.811 63.200 0.029 0.000 0.836 252 S HN 0.434 nan 8.310 nan 0.000 0.504 253 E N 2.492 122.720 120.200 0.047 0.000 2.160 253 E HA -0.195 4.155 4.350 0.000 0.000 0.195 253 E C 1.531 178.146 176.600 0.025 0.000 0.991 253 E CA 1.418 57.840 56.400 0.038 0.000 0.810 253 E CB -0.028 29.690 29.700 0.030 0.000 0.742 253 E HN 0.786 nan 8.360 nan 0.000 0.466 254 Q N -0.294 119.518 119.800 0.020 0.000 2.280 254 Q HA 0.218 4.558 4.340 0.000 0.000 0.202 254 Q C -0.156 175.853 176.000 0.013 0.000 0.903 254 Q CA -0.344 55.467 55.803 0.013 0.000 0.948 254 Q CB 1.037 29.781 28.738 0.011 0.000 1.058 254 Q HN 0.065 nan 8.270 nan 0.000 0.493 255 A N 0.817 123.648 122.820 0.018 0.000 2.425 255 A HA 0.008 4.329 4.320 0.000 0.000 0.249 255 A C 0.438 178.043 177.584 0.035 0.000 1.084 255 A CA -0.289 51.767 52.037 0.030 0.000 0.781 255 A CB 0.391 19.411 19.000 0.032 0.000 1.019 255 A HN 0.167 nan 8.150 nan 0.000 0.490 256 D N 0.110 120.553 120.400 0.071 0.000 2.117 256 D HA -0.081 4.559 4.640 0.000 0.000 0.198 256 D C -0.455 175.775 176.300 -0.117 0.000 0.982 256 D CA 1.864 55.870 54.000 0.008 0.000 0.828 256 D CB 0.014 40.874 40.800 0.099 0.000 0.967 256 D HN 0.640 nan 8.370 nan 0.000 0.464 257 Y N 0.628 120.965 120.300 0.062 0.000 2.587 257 Y HA 0.287 4.837 4.550 0.000 0.000 0.328 257 Y C 0.367 176.290 175.900 0.039 0.000 0.980 257 Y CA -0.633 57.502 58.100 0.058 0.000 1.272 257 Y CB 0.954 39.461 38.460 0.078 0.000 1.094 257 Y HN -0.329 nan 8.280 nan 0.000 0.503 258 R N 3.818 124.367 120.500 0.081 0.000 2.312 258 R HA 0.603 4.943 4.340 0.000 0.000 0.311 258 R C -1.104 175.200 176.300 0.007 0.000 1.004 258 R CA -0.528 55.590 56.100 0.030 0.000 0.902 258 R CB 0.697 31.009 30.300 0.021 0.000 1.073 258 R HN 0.653 nan 8.270 nan 0.000 0.457 259 I N 3.562 124.056 120.570 -0.126 0.000 2.331 259 I HA 0.266 4.436 4.170 0.000 0.000 0.292 259 I C 0.003 176.115 176.117 -0.009 0.000 0.998 259 I CA -0.141 61.049 61.300 -0.183 0.000 1.267 259 I CB 1.564 39.097 38.000 -0.778 0.000 1.386 259 I HN 0.544 nan 8.210 nan 0.000 0.476 260 E N 4.216 124.501 120.200 0.140 0.000 2.369 260 E HA 0.300 4.650 4.350 0.000 0.000 0.270 260 E C -1.105 175.652 176.600 0.261 0.000 0.909 260 E CA -0.781 55.742 56.400 0.205 0.000 0.775 260 E CB 1.609 31.392 29.700 0.138 0.000 1.270 260 E HN 0.523 nan 8.360 nan 0.000 0.445 261 D N 0.415 120.961 120.400 0.243 0.000 2.870 261 D HA -0.241 4.399 4.640 0.000 0.000 0.228 261 D C -0.834 175.626 176.300 0.267 0.000 1.147 261 D CA 0.908 55.032 54.000 0.208 0.000 0.757 261 D CB -1.869 39.017 40.800 0.143 0.000 1.091 261 D HN 0.406 nan 8.370 nan 0.000 0.429 262 Y N 1.265 121.719 120.300 0.257 0.000 2.442 262 Y HA 0.312 4.862 4.550 0.000 0.000 0.330 262 Y C 0.488 176.507 175.900 0.198 0.000 1.129 262 Y CA 0.218 58.491 58.100 0.288 0.000 1.365 262 Y CB 0.682 39.335 38.460 0.322 0.000 1.233 262 Y HN 0.041 nan 8.280 nan 0.000 0.529 263 E N 5.401 125.338 120.200 -0.437 0.000 2.308 263 E HA 0.207 4.558 4.350 0.000 0.000 0.275 263 E C -1.791 174.522 176.600 -0.478 0.000 0.890 263 E CA -0.894 55.326 56.400 -0.300 0.000 0.754 263 E CB 1.501 31.140 29.700 -0.102 0.000 1.207 263 E HN 0.767 nan 8.360 nan 0.000 0.426 264 Q N 2.184 121.874 119.800 -0.183 0.000 2.257 264 Q HA 0.367 4.707 4.340 0.000 0.000 0.255 264 Q C -1.283 174.724 176.000 0.011 0.000 0.920 264 Q CA -0.282 55.508 55.803 -0.021 0.000 0.927 264 Q CB 1.499 30.350 28.738 0.189 0.000 1.229 264 Q HN 0.485 nan 8.270 nan 0.000 0.433 265 T N 3.474 118.058 114.554 0.050 0.000 2.833 265 T HA 0.552 4.902 4.350 0.000 0.000 0.297 265 T C 0.176 174.873 174.700 -0.004 0.000 1.015 265 T CA 0.169 62.273 62.100 0.008 0.000 0.963 265 T CB 1.203 70.064 68.868 -0.012 0.000 0.955 265 T HN 1.005 nan 8.240 nan 0.000 0.449 266 G N 2.967 111.706 108.800 -0.102 0.000 2.591 266 G HA2 -0.279 3.682 3.960 0.000 0.000 0.298 266 G HA3 -0.279 3.682 3.960 0.000 0.000 0.298 266 G C 0.031 174.724 174.900 -0.344 0.000 1.195 266 G CA 0.226 45.180 45.100 -0.243 0.000 0.989 266 G HN 0.614 nan 8.290 nan 0.000 0.551 267 F N 3.058 123.080 119.950 0.120 0.000 2.684 267 F HA 0.420 4.947 4.527 0.000 0.000 0.298 267 F C 1.318 177.139 175.800 0.034 0.000 1.120 267 F CA 0.173 58.207 58.000 0.057 0.000 1.332 267 F CB 0.534 39.577 39.000 0.072 0.000 0.986 267 F HN 0.282 nan 8.300 nan 0.000 0.524 268 Q N -0.208 119.690 119.800 0.163 0.000 2.309 268 Q HA 0.632 4.973 4.340 0.000 0.000 0.264 268 Q C 0.252 176.303 176.000 0.085 0.000 1.008 268 Q CA -0.815 55.049 55.803 0.101 0.000 0.853 268 Q CB 2.431 31.195 28.738 0.044 0.000 1.314 268 Q HN 0.283 nan 8.270 nan 0.000 0.448 269 G N 1.206 110.046 108.800 0.065 0.000 2.389 269 G HA2 0.448 4.409 3.960 0.000 0.000 0.317 269 G HA3 0.448 4.409 3.960 0.000 0.000 0.317 269 G C -0.893 173.923 174.900 -0.140 0.000 1.137 269 G CA -0.200 44.935 45.100 0.057 0.000 0.870 269 G HN 0.533 nan 8.290 nan 0.000 0.496 270 H N 0.696 119.673 119.070 -0.155 0.000 2.689 270 H HA 0.443 4.999 4.556 0.000 0.000 0.346 270 H C -1.120 174.220 175.328 0.020 0.000 1.037 270 H CA -0.195 55.782 56.048 -0.118 0.000 1.234 270 H CB 2.164 31.846 29.762 -0.133 0.000 1.572 270 H HN 0.736 nan 8.280 nan 0.000 0.524 271 Y N -1.001 119.330 120.300 0.052 0.000 2.741 271 Y HA 0.429 4.979 4.550 0.000 0.000 0.339 271 Y C -1.361 174.582 175.900 0.072 0.000 1.226 271 Y CA -1.029 57.132 58.100 0.101 0.000 1.072 271 Y CB 0.971 39.567 38.460 0.228 0.000 1.331 271 Y HN 0.300 nan 8.280 nan 0.000 0.453 272 T N 1.948 116.648 114.554 0.244 0.000 2.829 272 T HA 0.630 4.980 4.350 0.000 0.000 0.280 272 T C -1.133 173.687 174.700 0.200 0.000 0.999 272 T CA -0.705 61.472 62.100 0.128 0.000 0.983 272 T CB 1.672 70.598 68.868 0.096 0.000 0.968 272 T HN 0.585 nan 8.240 nan 0.000 0.446 273 V N 4.219 124.218 119.914 0.142 0.000 2.398 273 V HA 0.468 4.588 4.120 0.000 0.000 0.286 273 V C -0.443 175.707 176.094 0.094 0.000 1.026 273 V CA -0.805 61.588 62.300 0.156 0.000 0.868 273 V CB 1.236 33.176 31.823 0.195 0.000 0.982 273 V HN 0.715 nan 8.190 nan 0.000 0.443 274 I N 4.546 125.154 120.570 0.064 0.000 2.321 274 I HA 0.379 4.549 4.170 0.000 0.000 0.291 274 I C 0.385 176.458 176.117 -0.073 0.000 0.998 274 I CA 0.338 61.642 61.300 0.005 0.000 1.227 274 I CB 1.049 39.049 38.000 0.000 0.000 1.368 274 I HN 0.563 nan 8.210 nan 0.000 0.466 275 C N 7.290 126.508 119.300 -0.137 0.000 2.500 275 C HA 0.243 4.703 4.460 0.000 0.000 0.367 275 C C -0.701 174.072 174.990 -0.363 0.000 1.283 275 C CA -0.538 58.240 59.018 -0.399 0.000 2.456 275 C CB 0.660 28.268 27.740 -0.220 0.000 2.457 275 C HN 0.633 nan 8.230 nan 0.000 0.632 276 P HA -0.096 nan 4.420 nan 0.000 0.219 276 P C 0.674 177.892 177.300 -0.136 0.000 1.146 276 P CA 1.314 64.259 63.100 -0.258 0.000 0.808 276 P CB -0.108 31.454 31.700 -0.230 0.000 0.779 277 N N -1.196 117.433 118.700 -0.118 0.000 2.295 277 N HA 0.037 4.777 4.740 0.000 0.000 0.221 277 N C -0.214 175.264 175.510 -0.054 0.000 1.129 277 N CA -0.244 52.768 53.050 -0.063 0.000 0.836 277 N CB -1.417 37.046 38.487 -0.041 0.000 1.040 277 N HN 0.054 nan 8.380 nan 0.000 0.494 278 N N -0.758 117.899 118.700 -0.070 0.000 2.936 278 N HA -0.235 4.505 4.740 0.000 0.000 0.236 278 N C -0.755 174.735 175.510 -0.035 0.000 0.930 278 N CA 0.963 53.984 53.050 -0.047 0.000 0.966 278 N CB -1.113 37.357 38.487 -0.029 0.000 1.090 278 N HN 0.631 nan 8.380 nan 0.000 0.592 279 E N 1.573 121.751 120.200 -0.038 0.000 2.465 279 E HA 0.011 4.361 4.350 0.000 0.000 0.260 279 E C -0.293 176.301 176.600 -0.009 0.000 0.980 279 E CA 0.168 56.557 56.400 -0.018 0.000 0.927 279 E CB 0.549 30.244 29.700 -0.009 0.000 0.934 279 E HN 0.145 nan 8.360 nan 0.000 0.459 280 R N 4.452 124.953 120.500 0.001 0.000 2.294 280 R HA 0.453 4.793 4.340 0.000 0.000 0.319 280 R C -0.542 175.765 176.300 0.011 0.000 0.984 280 R CA -0.503 55.603 56.100 0.010 0.000 0.861 280 R CB 0.956 31.262 30.300 0.010 0.000 1.104 280 R HN 0.503 nan 8.270 nan 0.000 0.451 281 I N 2.857 123.438 120.570 0.017 0.000 2.447 281 I HA 0.223 4.393 4.170 0.000 0.000 0.287 281 I C -0.605 175.494 176.117 -0.030 0.000 1.023 281 I CA -0.859 60.439 61.300 -0.002 0.000 1.083 281 I CB 1.970 39.976 38.000 0.010 0.000 1.245 281 I HN 0.416 nan 8.210 nan 0.000 0.434 282 N N 6.332 124.999 118.700 -0.054 0.000 2.414 282 N HA 0.320 5.060 4.740 0.000 0.000 0.256 282 N C -0.708 174.697 175.510 -0.175 0.000 1.029 282 N CA -0.269 52.726 53.050 -0.092 0.000 0.948 282 N CB 2.176 40.633 38.487 -0.050 0.000 1.102 282 N HN 0.182 nan 8.380 nan 0.000 0.496 283 V N 2.704 122.408 119.914 -0.351 0.000 2.472 283 V HA 0.335 4.455 4.120 0.000 0.000 0.290 283 V C 0.067 175.841 176.094 -0.532 0.000 1.037 283 V CA -0.910 61.085 62.300 -0.508 0.000 0.908 283 V CB 1.678 32.968 31.823 -0.889 0.000 0.985 283 V HN 0.430 nan 8.190 nan 0.000 0.454 284 L N 6.110 127.110 121.223 -0.371 0.000 2.287 284 L HA 0.669 5.009 4.340 0.000 0.000 0.287 284 L C -0.909 175.812 176.870 -0.250 0.000 1.022 284 L CA -0.266 54.342 54.840 -0.388 0.000 0.814 284 L CB 1.294 43.185 42.059 -0.280 0.000 1.217 284 L HN 0.619 nan 8.230 nan 0.000 0.420 285 L N 4.878 125.991 121.223 -0.182 0.000 2.298 285 L HA 0.498 4.838 4.340 0.000 0.000 0.284 285 L C 0.439 177.337 176.870 0.046 0.000 1.013 285 L CA 0.023 54.871 54.840 0.012 0.000 0.824 285 L CB 1.276 43.467 42.059 0.219 0.000 1.221 285 L HN 0.734 nan 8.230 nan 0.000 0.418 286 N N 2.991 121.747 118.700 0.093 0.000 2.485 286 N HA 0.083 4.823 4.740 0.000 0.000 0.199 286 N C -0.672 174.921 175.510 0.139 0.000 1.236 286 N CA 0.454 53.566 53.050 0.104 0.000 0.852 286 N CB -0.076 38.472 38.487 0.102 0.000 1.018 286 N HN 0.426 nan 8.380 nan 0.000 0.457 287 V N -3.211 116.795 119.914 0.154 0.000 3.007 287 V HA 0.762 4.883 4.120 0.000 0.000 0.311 287 V C -2.754 173.376 176.094 0.059 0.000 1.120 287 V CA -2.311 60.056 62.300 0.111 0.000 0.980 287 V CB 2.086 34.013 31.823 0.174 0.000 1.033 287 V HN -0.151 nan 8.190 nan 0.000 0.429 288 P HA 0.645 nan 4.420 nan 0.000 0.278 288 P C 0.169 177.407 177.300 -0.104 0.000 1.258 288 P CA 0.681 63.759 63.100 -0.036 0.000 0.811 288 P CB 1.425 33.019 31.700 -0.176 0.000 1.063 289 G N 0.991 109.826 108.800 0.058 0.000 2.719 289 G HA2 -0.175 3.785 3.960 0.000 0.000 0.686 289 G HA3 -0.175 3.785 3.960 0.000 0.000 0.686 289 G C 0.468 175.226 174.900 -0.236 0.000 1.201 289 G CA -0.430 44.654 45.100 -0.026 0.000 0.768 289 G HN 0.473 nan 8.290 nan 0.000 0.629 290 K N 0.391 120.611 120.400 -0.299 0.000 2.211 290 K HA -0.130 4.191 4.320 0.000 0.000 0.203 290 K C 2.266 178.762 176.600 -0.173 0.000 1.050 290 K CA 1.607 57.615 56.287 -0.464 0.000 0.945 290 K CB -0.176 32.057 32.500 -0.445 0.000 0.732 290 K HN 0.830 nan 8.250 nan 0.000 0.451 291 H N 0.450 119.464 119.070 -0.094 0.000 2.387 291 H HA -0.015 4.541 4.556 0.000 0.000 0.299 291 H C 1.308 176.631 175.328 -0.009 0.000 1.090 291 H CA 1.001 57.032 56.048 -0.028 0.000 1.332 291 H CB -0.284 29.462 29.762 -0.027 0.000 1.386 291 H HN 0.127 nan 8.280 nan 0.000 0.516 292 N N 1.342 119.651 118.700 -0.653 0.000 2.331 292 N HA 0.006 4.746 4.740 0.000 0.000 0.180 292 N C 2.153 177.559 175.510 -0.173 0.000 1.019 292 N CA 1.214 54.066 53.050 -0.329 0.000 0.881 292 N CB -0.232 38.079 38.487 -0.294 0.000 0.972 292 N HN 0.525 nan 8.380 nan 0.000 0.435 293 A N 1.304 123.993 122.820 -0.218 0.000 1.933 293 A HA -0.045 4.275 4.320 0.000 0.000 0.218 293 A C 2.353 179.773 177.584 -0.273 0.000 1.175 293 A CA 0.801 52.633 52.037 -0.341 0.000 0.628 293 A CB -0.618 17.967 19.000 -0.692 0.000 0.814 293 A HN 0.178 nan 8.150 nan 0.000 0.444 294 L N -0.305 120.841 121.223 -0.129 0.000 1.994 294 L HA -0.221 4.119 4.340 0.000 0.000 0.208 294 L C 2.372 179.262 176.870 0.032 0.000 1.071 294 L CA 1.419 56.290 54.840 0.052 0.000 0.745 294 L CB -0.717 41.450 42.059 0.180 0.000 0.892 294 L HN 0.355 nan 8.230 nan 0.000 0.431 295 N N 0.378 119.066 118.700 -0.020 0.000 2.120 295 N HA -0.155 4.586 4.740 0.000 0.000 0.188 295 N C 1.808 177.198 175.510 -0.201 0.000 1.024 295 N CA 1.605 54.604 53.050 -0.086 0.000 0.852 295 N CB -0.373 38.084 38.487 -0.050 0.000 1.003 295 N HN 0.317 nan 8.380 nan 0.000 0.424 296 A N -0.119 122.599 122.820 -0.170 0.000 2.067 296 A HA -0.039 4.282 4.320 0.000 0.000 0.219 296 A C 2.183 179.671 177.584 -0.161 0.000 1.158 296 A CA 1.509 53.444 52.037 -0.170 0.000 0.661 296 A CB -0.559 18.411 19.000 -0.050 0.000 0.801 296 A HN 0.288 nan 8.150 nan 0.000 0.452 297 T N -0.388 114.052 114.554 -0.191 0.000 3.009 297 T HA 0.204 4.555 4.350 0.000 0.000 0.258 297 T C 2.259 176.639 174.700 -0.534 0.000 1.063 297 T CA 0.853 62.827 62.100 -0.210 0.000 1.139 297 T CB -0.230 68.601 68.868 -0.061 0.000 0.890 297 T HN 0.540 nan 8.240 nan 0.000 0.471 298 A N 1.883 124.091 122.820 -1.020 0.000 1.892 298 A HA -0.001 4.319 4.320 0.000 0.000 0.218 298 A C 2.607 179.873 177.584 -0.530 0.000 1.188 298 A CA 2.054 53.400 52.037 -1.153 0.000 0.631 298 A CB -1.148 17.251 19.000 -1.002 0.000 0.822 298 A HN 0.509 nan 8.150 nan 0.000 0.447 299 A N -0.599 121.995 122.820 -0.377 0.000 1.898 299 A HA -0.016 4.304 4.320 0.000 0.000 0.216 299 A C 2.236 179.693 177.584 -0.212 0.000 1.181 299 A CA 1.494 53.385 52.037 -0.244 0.000 0.620 299 A CB -0.621 18.241 19.000 -0.231 0.000 0.819 299 A HN 0.713 nan 8.150 nan 0.000 0.442 300 L N -0.671 120.413 121.223 -0.232 0.000 2.046 300 L HA -0.120 4.220 4.340 0.000 0.000 0.208 300 L C 2.729 179.401 176.870 -0.329 0.000 1.077 300 L CA 1.646 56.367 54.840 -0.200 0.000 0.747 300 L CB -0.354 41.636 42.059 -0.114 0.000 0.896 300 L HN 0.365 nan 8.230 nan 0.000 0.432 301 A N -0.675 121.810 122.820 -0.558 0.000 1.902 301 A HA -0.161 4.159 4.320 0.000 0.000 0.217 301 A C 2.202 179.507 177.584 -0.466 0.000 1.181 301 A CA 1.935 53.395 52.037 -0.960 0.000 0.623 301 A CB -1.029 17.426 19.000 -0.908 0.000 0.818 301 A HN 0.330 nan 8.150 nan 0.000 0.443 302 V N -0.114 119.641 119.914 -0.265 0.000 2.295 302 V HA -0.268 3.853 4.120 0.000 0.000 0.246 302 V C 3.075 179.163 176.094 -0.010 0.000 1.049 302 V CA 2.047 64.295 62.300 -0.087 0.000 1.024 302 V CB -1.289 30.511 31.823 -0.038 0.000 0.648 302 V HN 0.627 nan 8.190 nan 0.000 0.447 303 A N -0.377 122.428 122.820 -0.025 0.000 1.877 303 A HA -0.206 4.115 4.320 0.000 0.000 0.216 303 A C 2.286 179.831 177.584 -0.065 0.000 1.186 303 A CA 1.700 53.715 52.037 -0.036 0.000 0.620 303 A CB -0.432 18.522 19.000 -0.077 0.000 0.822 303 A HN 0.423 nan 8.150 nan 0.000 0.443 304 K N -0.062 120.297 120.400 -0.068 0.000 2.057 304 K HA -0.110 4.210 4.320 0.000 0.000 0.207 304 K C 1.650 178.287 176.600 0.060 0.000 1.049 304 K CA 1.178 57.475 56.287 0.016 0.000 0.931 304 K CB -0.343 32.231 32.500 0.124 0.000 0.714 304 K HN 0.501 nan 8.250 nan 0.000 0.440 305 E N 0.929 121.158 120.200 0.047 0.000 2.338 305 E HA -0.124 4.227 4.350 0.000 0.000 0.197 305 E C 1.301 177.952 176.600 0.084 0.000 1.007 305 E CA 0.655 57.112 56.400 0.095 0.000 0.849 305 E CB 0.121 29.876 29.700 0.093 0.000 0.774 305 E HN 0.425 nan 8.360 nan 0.000 0.506 306 E N -0.504 119.733 120.200 0.062 0.000 2.479 306 E HA 0.107 4.458 4.350 0.000 0.000 0.193 306 E C 0.842 177.442 176.600 0.001 0.000 1.049 306 E CA 0.406 56.843 56.400 0.063 0.000 0.870 306 E CB 0.652 30.414 29.700 0.104 0.000 0.944 306 E HN 0.289 nan 8.360 nan 0.000 0.492 307 G N 1.993 110.788 108.800 -0.009 0.000 2.141 307 G HA2 -0.262 3.698 3.960 0.000 0.000 0.231 307 G HA3 -0.262 3.698 3.960 0.000 0.000 0.231 307 G C 0.309 175.168 174.900 -0.068 0.000 0.984 307 G CA -0.159 44.927 45.100 -0.023 0.000 0.660 307 G HN 0.215 nan 8.290 nan 0.000 0.525 308 I N 1.648 122.146 120.570 -0.120 0.000 2.634 308 I HA 0.437 4.607 4.170 0.000 0.000 0.284 308 I C 1.351 177.407 176.117 -0.101 0.000 1.124 308 I CA -0.048 61.154 61.300 -0.164 0.000 1.417 308 I CB 1.154 38.983 38.000 -0.286 0.000 1.396 308 I HN 0.345 nan 8.210 nan 0.000 0.571 309 A N 5.317 128.083 122.820 -0.089 0.000 2.483 309 A HA 0.062 4.383 4.320 0.000 0.000 0.238 309 A C 1.134 178.685 177.584 -0.056 0.000 1.070 309 A CA -0.282 51.720 52.037 -0.059 0.000 0.770 309 A CB 0.064 19.033 19.000 -0.052 0.000 1.008 309 A HN 0.834 nan 8.150 nan 0.000 0.497 310 N N 1.241 119.919 118.700 -0.037 0.000 2.137 310 N HA -0.184 4.556 4.740 0.000 0.000 0.190 310 N C 1.568 177.052 175.510 -0.043 0.000 1.017 310 N CA 1.772 54.801 53.050 -0.035 0.000 0.859 310 N CB -0.212 38.261 38.487 -0.023 0.000 1.002 310 N HN 0.809 nan 8.380 nan 0.000 0.428 311 E N 1.031 121.207 120.200 -0.040 0.000 2.077 311 E HA -0.098 4.252 4.350 0.000 0.000 0.193 311 E C 1.884 178.458 176.600 -0.044 0.000 0.989 311 E CA 1.124 57.501 56.400 -0.038 0.000 0.800 311 E CB -0.666 29.015 29.700 -0.031 0.000 0.746 311 E HN 0.320 nan 8.360 nan 0.000 0.452 312 A N 1.816 124.604 122.820 -0.054 0.000 1.902 312 A HA -0.098 4.222 4.320 0.000 0.000 0.217 312 A C 2.450 179.997 177.584 -0.062 0.000 1.181 312 A CA 1.322 53.323 52.037 -0.059 0.000 0.623 312 A CB -0.736 18.214 19.000 -0.084 0.000 0.818 312 A HN 0.210 nan 8.150 nan 0.000 0.443 313 I N -0.368 120.159 120.570 -0.072 0.000 2.127 313 I HA -0.283 3.887 4.170 0.000 0.000 0.241 313 I C 2.381 178.459 176.117 -0.065 0.000 1.075 313 I CA 1.329 62.586 61.300 -0.072 0.000 1.334 313 I CB -0.448 37.508 38.000 -0.074 0.000 1.040 313 I HN 0.275 nan 8.210 nan 0.000 0.405 314 L N 0.224 121.410 121.223 -0.062 0.000 2.093 314 L HA -0.189 4.152 4.340 0.000 0.000 0.208 314 L C 2.490 179.331 176.870 -0.049 0.000 1.085 314 L CA 1.400 56.201 54.840 -0.066 0.000 0.755 314 L CB -0.563 41.457 42.059 -0.066 0.000 0.904 314 L HN 0.247 nan 8.230 nan 0.000 0.435 315 E N 0.174 120.353 120.200 -0.036 0.000 2.047 315 E HA -0.187 4.163 4.350 0.000 0.000 0.191 315 E C 2.349 178.948 176.600 -0.001 0.000 0.987 315 E CA 1.132 57.521 56.400 -0.019 0.000 0.799 315 E CB -0.186 29.505 29.700 -0.016 0.000 0.752 315 E HN 0.476 nan 8.360 nan 0.000 0.449 316 A N 1.135 123.953 122.820 -0.004 0.000 1.902 316 A HA -0.170 4.150 4.320 0.000 0.000 0.217 316 A C 2.187 179.805 177.584 0.056 0.000 1.181 316 A CA 1.135 53.188 52.037 0.028 0.000 0.623 316 A CB -0.655 18.346 19.000 0.002 0.000 0.818 316 A HN 0.137 nan 8.150 nan 0.000 0.443 317 L N -0.986 120.234 121.223 -0.005 0.000 2.093 317 L HA -0.153 4.187 4.340 0.000 0.000 0.208 317 L C 3.038 179.932 176.870 0.041 0.000 1.085 317 L CA 1.018 55.852 54.840 -0.010 0.000 0.755 317 L CB -0.611 41.403 42.059 -0.075 0.000 0.904 317 L HN 0.442 nan 8.230 nan 0.000 0.435 318 A N -0.531 122.291 122.820 0.004 0.000 2.015 318 A HA -0.232 4.089 4.320 0.000 0.000 0.219 318 A C 1.734 179.339 177.584 0.036 0.000 1.163 318 A CA 1.927 53.962 52.037 -0.003 0.000 0.646 318 A CB -0.355 18.626 19.000 -0.031 0.000 0.806 318 A HN 0.391 nan 8.150 nan 0.000 0.448 319 D N -2.142 118.294 120.400 0.060 0.000 2.402 319 D HA 0.152 4.792 4.640 0.000 0.000 0.216 319 D C -0.144 176.211 176.300 0.091 0.000 1.128 319 D CA -0.613 53.420 54.000 0.056 0.000 0.833 319 D CB -0.269 40.552 40.800 0.035 0.000 0.971 319 D HN 0.175 nan 8.370 nan 0.000 0.503 320 F N 1.459 121.397 119.950 -0.021 0.000 2.578 320 F HA 0.119 4.646 4.527 0.000 0.000 0.381 320 F C 1.120 176.916 175.800 -0.008 0.000 1.069 320 F CA 0.405 58.392 58.000 -0.021 0.000 1.231 320 F CB 1.019 40.005 39.000 -0.023 0.000 1.086 320 F HN -0.054 nan 8.300 nan 0.000 0.564 321 Q N 4.654 123.992 119.800 -0.769 0.000 2.319 321 Q HA 0.278 4.619 4.340 0.000 0.000 0.202 321 Q C 0.931 176.522 176.000 -0.682 0.000 0.896 321 Q CA 0.568 56.054 55.803 -0.527 0.000 0.942 321 Q CB 0.122 28.676 28.738 -0.307 0.000 1.083 321 Q HN 1.000 nan 8.270 nan 0.000 0.510 322 G N 0.757 108.696 108.800 -1.435 0.000 2.707 322 G HA2 0.009 3.970 3.960 0.000 0.000 0.686 322 G HA3 0.009 3.970 3.960 0.000 0.000 0.686 322 G C -0.773 173.877 174.900 -0.417 0.000 1.315 322 G CA -0.527 44.130 45.100 -0.738 0.000 0.832 322 G HN 0.395 nan 8.290 nan 0.000 0.573 323 A N -0.172 122.598 122.820 -0.084 0.000 2.282 323 A HA 0.922 5.243 4.320 0.000 0.000 0.319 323 A C 1.151 178.699 177.584 -0.059 0.000 1.121 323 A CA 0.712 52.721 52.037 -0.047 0.000 0.836 323 A CB 0.878 19.891 19.000 0.021 0.000 1.146 323 A HN 2.493 nan 8.150 nan 0.000 0.494 324 G N -0.262 108.499 108.800 -0.065 0.000 2.305 324 G HA2 0.388 4.348 3.960 0.000 0.000 0.243 324 G HA3 0.388 4.348 3.960 0.000 0.000 0.243 324 G C 0.608 175.475 174.900 -0.054 0.000 1.288 324 G CA 0.245 45.310 45.100 -0.058 0.000 0.901 324 G HN 1.023 nan 8.290 nan 0.000 0.516 325 R N -0.543 119.942 120.500 -0.025 0.000 3.892 325 R HA -0.144 4.196 4.340 0.000 0.000 0.441 325 R C -0.014 176.325 176.300 0.064 0.000 1.052 325 R CA 0.939 57.047 56.100 0.013 0.000 1.190 325 R CB -0.937 29.385 30.300 0.035 0.000 1.808 325 R HN 0.460 nan 8.270 nan 0.000 0.538 326 R N 0.546 121.085 120.500 0.064 0.000 2.247 326 R HA 0.265 4.605 4.340 0.000 0.000 0.329 326 R C -0.313 176.108 176.300 0.201 0.000 1.014 326 R CA -0.632 55.555 56.100 0.146 0.000 0.907 326 R CB 0.005 30.392 30.300 0.146 0.000 1.146 326 R HN 0.212 nan 8.270 nan 0.000 0.499 327 F N 1.021 120.985 119.950 0.025 0.000 2.907 327 F HA -0.319 4.209 4.527 0.000 0.000 0.244 327 F C -0.263 175.489 175.800 -0.079 0.000 1.007 327 F CA 0.605 58.582 58.000 -0.039 0.000 0.872 327 F CB -0.346 38.638 39.000 -0.026 0.000 0.767 327 F HN 0.462 nan 8.300 nan 0.000 0.837 328 D N 3.027 123.397 120.400 -0.051 0.000 2.347 328 D HA 0.108 4.749 4.640 0.000 0.000 0.235 328 D C -0.132 176.116 176.300 -0.087 0.000 1.149 328 D CA -0.041 53.937 54.000 -0.036 0.000 0.850 328 D CB 0.645 41.425 40.800 -0.034 0.000 1.061 328 D HN 0.309 nan 8.370 nan 0.000 0.487 329 Q N 4.008 123.781 119.800 -0.045 0.000 2.281 329 Q HA 0.089 4.429 4.340 0.000 0.000 0.267 329 Q C 0.913 176.919 176.000 0.010 0.000 1.053 329 Q CA 0.094 55.874 55.803 -0.039 0.000 0.905 329 Q CB 1.613 30.359 28.738 0.014 0.000 1.195 329 Q HN 0.577 nan 8.270 nan 0.000 0.398 330 L N 1.140 122.390 121.223 0.045 0.000 2.567 330 L HA 0.206 4.546 4.340 0.000 0.000 0.225 330 L C 0.985 177.983 176.870 0.214 0.000 1.119 330 L CA 0.273 55.191 54.840 0.130 0.000 0.871 330 L CB -0.067 42.077 42.059 0.142 0.000 1.036 330 L HN 0.907 nan 8.230 nan 0.000 0.459 331 G N 0.498 109.378 108.800 0.133 0.000 2.434 331 G HA2 -0.118 3.842 3.960 0.000 0.000 0.671 331 G HA3 -0.118 3.842 3.960 0.000 0.000 0.671 331 G C -1.009 173.845 174.900 -0.076 0.000 1.280 331 G CA -0.868 44.211 45.100 -0.036 0.000 0.975 331 G HN 0.094 nan 8.290 nan 0.000 0.510 332 E N -0.808 119.196 120.200 -0.327 0.000 2.191 332 E HA 0.663 5.013 4.350 0.000 0.000 0.274 332 E C -1.147 175.101 176.600 -0.586 0.000 0.948 332 E CA -0.438 55.842 56.400 -0.200 0.000 0.802 332 E CB 1.539 31.206 29.700 -0.055 0.000 1.137 332 E HN 0.324 nan 8.360 nan 0.000 0.397 333 F N 1.766 121.756 119.950 0.067 0.000 2.547 333 F HA 0.418 4.946 4.527 0.000 0.000 0.316 333 F C -0.117 175.621 175.800 -0.103 0.000 1.121 333 F CA -0.802 57.197 58.000 -0.002 0.000 0.911 333 F CB 1.123 40.149 39.000 0.044 0.000 1.179 333 F HN 0.239 nan 8.300 nan 0.000 0.443 334 I N 5.020 125.610 120.570 0.033 0.000 2.337 334 I HA 0.335 4.505 4.170 0.000 0.000 0.291 334 I C -0.030 176.010 176.117 -0.128 0.000 1.046 334 I CA -0.454 60.823 61.300 -0.038 0.000 1.324 334 I CB 0.305 38.291 38.000 -0.025 0.000 1.409 334 I HN 0.449 nan 8.210 nan 0.000 0.494 335 R N 6.720 127.107 120.500 -0.189 0.000 2.758 335 R HA 0.425 4.765 4.340 0.000 0.000 0.265 335 R C -1.686 174.531 176.300 -0.138 0.000 1.016 335 R CA -2.434 53.506 56.100 -0.268 0.000 1.040 335 R CB 0.033 30.097 30.300 -0.394 0.000 1.152 335 R HN 0.199 nan 8.270 nan 0.000 0.503 336 P HA -0.124 nan 4.420 nan 0.000 0.216 336 P C 0.316 177.589 177.300 -0.046 0.000 1.154 336 P CA 1.424 64.487 63.100 -0.061 0.000 0.865 336 P CB 0.314 31.985 31.700 -0.047 0.000 0.789 337 N N -1.423 117.247 118.700 -0.049 0.000 2.236 337 N HA 0.238 4.978 4.740 0.000 0.000 0.196 337 N C 0.739 176.237 175.510 -0.020 0.000 1.114 337 N CA 0.594 53.628 53.050 -0.027 0.000 0.859 337 N CB 0.905 39.383 38.487 -0.014 0.000 0.982 337 N HN 0.144 nan 8.380 nan 0.000 0.493 338 G N 0.014 108.794 108.800 -0.034 0.000 2.361 338 G HA2 0.116 4.076 3.960 0.000 0.000 0.299 338 G HA3 0.116 4.076 3.960 0.000 0.000 0.299 338 G C -1.734 173.157 174.900 -0.014 0.000 1.544 338 G CA -0.929 44.165 45.100 -0.010 0.000 0.860 338 G HN 0.043 nan 8.290 nan 0.000 0.610 339 K N 0.047 120.459 120.400 0.020 0.000 2.248 339 K HA 0.667 4.988 4.320 0.000 0.000 0.281 339 K C 0.261 176.926 176.600 0.108 0.000 1.054 339 K CA -0.631 55.681 56.287 0.041 0.000 0.903 339 K CB 1.243 33.768 32.500 0.041 0.000 1.077 339 K HN 0.966 nan 8.250 nan 0.000 0.474 340 V N 1.190 121.182 119.914 0.131 0.000 2.919 340 V HA 0.647 4.767 4.120 0.000 0.000 0.316 340 V C -0.866 175.395 176.094 0.277 0.000 1.077 340 V CA -1.185 61.240 62.300 0.208 0.000 0.977 340 V CB 1.670 33.586 31.823 0.155 0.000 1.039 340 V HN 0.897 nan 8.190 nan 0.000 0.441 341 R N 2.155 122.814 120.500 0.265 0.000 2.387 341 R HA 0.739 5.080 4.340 0.000 0.000 0.314 341 R C -1.604 174.767 176.300 0.119 0.000 0.958 341 R CA -0.721 55.502 56.100 0.207 0.000 0.846 341 R CB 1.675 32.064 30.300 0.149 0.000 1.147 341 R HN 0.862 nan 8.270 nan 0.000 0.447 342 L N 5.203 126.547 121.223 0.202 0.000 2.307 342 L HA 0.565 4.905 4.340 0.000 0.000 0.284 342 L C -1.493 175.356 176.870 -0.036 0.000 1.023 342 L CA -0.473 54.434 54.840 0.110 0.000 0.810 342 L CB 2.003 44.191 42.059 0.215 0.000 1.231 342 L HN 0.447 nan 8.230 nan 0.000 0.423 343 V N 3.747 123.555 119.914 -0.177 0.000 2.686 343 V HA 0.414 4.534 4.120 0.000 0.000 0.306 343 V C -1.207 174.721 176.094 -0.276 0.000 1.065 343 V CA -0.735 61.374 62.300 -0.319 0.000 0.894 343 V CB 2.000 33.421 31.823 -0.670 0.000 1.004 343 V HN 0.730 nan 8.190 nan 0.000 0.424 344 D N 2.619 122.890 120.400 -0.215 0.000 2.193 344 D HA 0.548 5.188 4.640 0.000 0.000 0.244 344 D C -1.077 175.145 176.300 -0.130 0.000 1.064 344 D CA 0.064 53.978 54.000 -0.142 0.000 0.845 344 D CB 1.818 42.566 40.800 -0.087 0.000 1.148 344 D HN 0.693 nan 8.370 nan 0.000 0.464 345 D N 2.029 122.382 120.400 -0.079 0.000 2.879 345 D HA 0.143 4.783 4.640 0.000 0.000 0.236 345 D C -0.362 175.996 176.300 0.097 0.000 1.171 345 D CA -0.592 53.412 54.000 0.007 0.000 0.868 345 D CB 0.947 41.729 40.800 -0.029 0.000 1.598 345 D HN 0.371 nan 8.370 nan 0.000 0.497 346 Y N 2.557 122.872 120.300 0.027 0.000 2.519 346 Y HA 0.274 4.825 4.550 0.000 0.000 0.287 346 Y C 1.270 177.247 175.900 0.129 0.000 1.128 346 Y CA 0.278 58.413 58.100 0.058 0.000 1.282 346 Y CB 0.357 38.857 38.460 0.068 0.000 1.027 346 Y HN 0.530 nan 8.280 nan 0.000 0.551 347 G N 0.371 109.248 108.800 0.130 0.000 2.178 347 G HA2 -0.058 3.902 3.960 0.000 0.000 0.244 347 G HA3 -0.058 3.902 3.960 0.000 0.000 0.244 347 G C -0.086 174.858 174.900 0.073 0.000 1.213 347 G CA 0.639 45.757 45.100 0.031 0.000 0.912 347 G HN 0.822 nan 8.290 nan 0.000 0.474 348 H N -0.708 118.412 119.070 0.083 0.000 3.583 348 H HA 0.226 4.783 4.556 0.000 0.000 0.251 348 H C 0.691 176.243 175.328 0.373 0.000 1.060 348 H CA -0.286 55.861 56.048 0.166 0.000 1.159 348 H CB 0.024 29.718 29.762 -0.115 0.000 1.496 348 H HN 0.567 nan 8.280 nan 0.000 0.540 349 H N 2.277 121.285 119.070 -0.104 0.000 2.511 349 H HA 0.157 4.713 4.556 0.000 0.000 0.346 349 H C -1.808 173.401 175.328 -0.198 0.000 1.128 349 H CA -2.198 53.827 56.048 -0.039 0.000 1.342 349 H CB 1.922 31.656 29.762 -0.047 0.000 1.470 349 H HN 0.006 nan 8.280 nan 0.000 0.546 350 P HA -0.142 nan 4.420 nan 0.000 0.216 350 P C 1.314 178.514 177.300 -0.168 0.000 1.153 350 P CA 1.917 64.718 63.100 -0.498 0.000 0.858 350 P CB 0.174 31.405 31.700 -0.781 0.000 0.789 351 T N -0.636 113.961 114.554 0.071 0.000 2.788 351 T HA -0.163 4.188 4.350 0.000 0.000 0.268 351 T C 1.578 176.110 174.700 -0.280 0.000 1.044 351 T CA 1.385 63.400 62.100 -0.142 0.000 1.139 351 T CB -0.611 68.084 68.868 -0.288 0.000 0.867 351 T HN 0.358 nan 8.240 nan 0.000 0.454 352 E N 0.312 120.341 120.200 -0.285 0.000 2.072 352 E HA -0.053 4.297 4.350 0.000 0.000 0.190 352 E C 2.369 178.869 176.600 -0.166 0.000 0.982 352 E CA 0.761 56.992 56.400 -0.281 0.000 0.803 352 E CB -0.148 29.416 29.700 -0.225 0.000 0.755 352 E HN 0.232 nan 8.360 nan 0.000 0.453 353 V N 0.963 120.816 119.914 -0.101 0.000 2.343 353 V HA -0.194 3.927 4.120 0.000 0.000 0.247 353 V C 2.318 178.350 176.094 -0.103 0.000 1.051 353 V CA 1.968 64.225 62.300 -0.072 0.000 1.036 353 V CB -0.983 30.788 31.823 -0.087 0.000 0.654 353 V HN 0.417 nan 8.190 nan 0.000 0.451 354 G N 0.658 109.378 108.800 -0.135 0.000 2.446 354 G HA2 -0.236 3.724 3.960 0.000 0.000 0.217 354 G HA3 -0.236 3.724 3.960 0.000 0.000 0.217 354 G C 1.778 176.607 174.900 -0.118 0.000 1.168 354 G CA 1.573 46.601 45.100 -0.121 0.000 0.771 354 G HN 0.590 nan 8.290 nan 0.000 0.551 355 V N -1.221 118.577 119.914 -0.193 0.000 2.490 355 V HA -0.115 4.005 4.120 0.000 0.000 0.250 355 V C 2.569 178.554 176.094 -0.182 0.000 1.061 355 V CA 2.675 64.825 62.300 -0.250 0.000 1.064 355 V CB -1.246 30.256 31.823 -0.536 0.000 0.670 355 V HN 0.259 nan 8.190 nan 0.000 0.461 356 T N 1.126 115.606 114.554 -0.124 0.000 2.737 356 T HA -0.003 4.347 4.350 0.000 0.000 0.265 356 T C 1.853 176.657 174.700 0.174 0.000 1.038 356 T CA 2.229 64.390 62.100 0.101 0.000 1.144 356 T CB -0.397 68.530 68.868 0.099 0.000 0.866 356 T HN 0.495 nan 8.240 nan 0.000 0.434 357 I N 0.852 121.465 120.570 0.072 0.000 2.163 357 I HA -0.213 3.957 4.170 0.000 0.000 0.243 357 I C 2.573 178.759 176.117 0.115 0.000 1.085 357 I CA 1.236 62.585 61.300 0.081 0.000 1.347 357 I CB -0.278 37.734 38.000 0.020 0.000 1.044 357 I HN 0.118 nan 8.210 nan 0.000 0.408 358 K N 1.509 121.955 120.400 0.077 0.000 2.032 358 K HA -0.174 4.147 4.320 0.000 0.000 0.209 358 K C 2.052 178.742 176.600 0.150 0.000 1.048 358 K CA 1.931 58.272 56.287 0.090 0.000 0.927 358 K CB -0.504 32.022 32.500 0.043 0.000 0.712 358 K HN 0.300 nan 8.250 nan 0.000 0.441 359 A N 0.325 123.250 122.820 0.176 0.000 1.933 359 A HA -0.046 4.274 4.320 0.000 0.000 0.218 359 A C 2.357 180.101 177.584 0.266 0.000 1.175 359 A CA 2.053 54.193 52.037 0.173 0.000 0.628 359 A CB -1.038 18.023 19.000 0.101 0.000 0.814 359 A HN 0.441 nan 8.150 nan 0.000 0.444 360 A N -0.354 122.696 122.820 0.382 0.000 1.877 360 A HA -0.149 4.172 4.320 0.000 0.000 0.216 360 A C 2.214 180.059 177.584 0.435 0.000 1.186 360 A CA 1.440 53.788 52.037 0.518 0.000 0.620 360 A CB -0.468 18.744 19.000 0.354 0.000 0.822 360 A HN 0.389 nan 8.150 nan 0.000 0.443 361 R N 0.027 120.703 120.500 0.293 0.000 2.091 361 R HA -0.110 4.230 4.340 0.000 0.000 0.238 361 R C 1.710 178.154 176.300 0.240 0.000 1.136 361 R CA 1.367 57.621 56.100 0.255 0.000 0.959 361 R CB -0.718 29.683 30.300 0.168 0.000 0.856 361 R HN 0.567 nan 8.270 nan 0.000 0.437 362 E N -0.505 119.824 120.200 0.216 0.000 2.333 362 E HA -0.074 4.277 4.350 0.000 0.000 0.198 362 E C 1.628 178.309 176.600 0.136 0.000 1.007 362 E CA 1.155 57.656 56.400 0.168 0.000 0.845 362 E CB -0.100 29.706 29.700 0.177 0.000 0.766 362 E HN 0.477 nan 8.360 nan 0.000 0.507 363 G N -1.552 107.357 108.800 0.182 0.000 3.159 363 G HA2 -0.045 3.915 3.960 0.000 0.000 0.232 363 G HA3 -0.045 3.915 3.960 0.000 0.000 0.232 363 G C 0.749 175.690 174.900 0.067 0.000 1.116 363 G CA -0.422 44.619 45.100 -0.098 0.000 0.767 363 G HN 0.210 nan 8.290 nan 0.000 0.547 364 W N 1.177 122.468 121.300 -0.014 0.000 2.684 364 W HA 0.306 4.966 4.660 0.000 0.000 0.381 364 W C 1.209 177.744 176.519 0.027 0.000 0.975 364 W CA -0.012 57.357 57.345 0.041 0.000 1.789 364 W CB 0.714 30.283 29.460 0.182 0.000 1.161 364 W HN 0.329 nan 8.180 nan 0.000 0.564 365 G N 2.841 111.651 108.800 0.016 0.000 2.611 365 G HA2 -0.442 3.518 3.960 0.000 0.000 0.301 365 G HA3 -0.442 3.518 3.960 0.000 0.000 0.301 365 G C 0.368 175.254 174.900 -0.024 0.000 1.233 365 G CA 1.239 46.303 45.100 -0.059 0.000 0.993 365 G HN 0.317 nan 8.290 nan 0.000 0.553 366 D N 0.896 121.252 120.400 -0.072 0.000 2.342 366 D HA 0.243 4.883 4.640 0.000 0.000 0.221 366 D C 0.802 177.094 176.300 -0.013 0.000 1.101 366 D CA 0.337 54.322 54.000 -0.025 0.000 0.837 366 D CB 0.198 40.978 40.800 -0.033 0.000 0.938 366 D HN 0.353 nan 8.370 nan 0.000 0.508 367 K N 0.547 120.919 120.400 -0.046 0.000 2.209 367 K HA 0.440 4.760 4.320 0.000 0.000 0.238 367 K C 0.697 177.456 176.600 0.265 0.000 1.028 367 K CA -0.610 55.691 56.287 0.023 0.000 0.935 367 K CB 1.290 33.658 32.500 -0.220 0.000 1.162 367 K HN 0.020 nan 8.250 nan 0.000 0.485 368 R N 0.413 121.098 120.500 0.310 0.000 2.500 368 R HA 0.479 4.819 4.340 0.000 0.000 0.277 368 R C 0.049 176.527 176.300 0.297 0.000 1.026 368 R CA -0.665 55.592 56.100 0.261 0.000 1.058 368 R CB 0.619 31.024 30.300 0.175 0.000 1.078 368 R HN 0.432 nan 8.270 nan 0.000 0.509 369 I N 2.032 122.708 120.570 0.177 0.000 2.339 369 I HA 0.242 4.412 4.170 0.000 0.000 0.290 369 I C -0.458 175.693 176.117 0.058 0.000 0.994 369 I CA -0.835 60.515 61.300 0.082 0.000 1.191 369 I CB 1.835 39.873 38.000 0.063 0.000 1.343 369 I HN 0.149 nan 8.210 nan 0.000 0.458 370 V N 7.234 127.170 119.914 0.036 0.000 2.459 370 V HA 0.464 4.584 4.120 0.000 0.000 0.295 370 V C -0.107 175.994 176.094 0.013 0.000 1.029 370 V CA -0.577 61.745 62.300 0.037 0.000 0.874 370 V CB 1.803 33.660 31.823 0.057 0.000 0.985 370 V HN 0.719 nan 8.190 nan 0.000 0.438 371 M N 5.738 125.348 119.600 0.018 0.000 2.456 371 M HA 0.663 5.144 4.480 0.000 0.000 0.324 371 M C -1.593 174.729 176.300 0.036 0.000 1.124 371 M CA -0.491 54.819 55.300 0.017 0.000 0.959 371 M CB 1.799 34.411 32.600 0.019 0.000 1.692 371 M HN 0.542 nan 8.290 nan 0.000 0.444 372 I N 4.967 125.556 120.570 0.031 0.000 2.330 372 I HA 0.318 4.488 4.170 0.000 0.000 0.286 372 I C -1.336 174.826 176.117 0.074 0.000 1.025 372 I CA -0.382 60.934 61.300 0.026 0.000 1.197 372 I CB 0.816 38.798 38.000 -0.030 0.000 1.358 372 I HN 0.567 nan 8.210 nan 0.000 0.467 373 F N 6.349 126.255 119.950 -0.074 0.000 2.436 373 F HA 0.424 4.952 4.527 0.000 0.000 0.340 373 F C -0.084 175.652 175.800 -0.105 0.000 1.113 373 F CA -0.392 57.556 58.000 -0.087 0.000 1.022 373 F CB 1.388 40.336 39.000 -0.086 0.000 1.128 373 F HN 0.389 nan 8.300 nan 0.000 0.466 374 Q N 8.206 127.434 119.800 -0.952 0.000 2.381 374 Q HA 0.432 4.772 4.340 0.000 0.000 0.263 374 Q C -2.690 172.607 176.000 -1.170 0.000 1.030 374 Q CA -2.362 52.984 55.803 -0.761 0.000 0.772 374 Q CB 1.608 30.084 28.738 -0.436 0.000 1.232 374 Q HN 0.352 nan 8.270 nan 0.000 0.476 375 P HA -0.049 nan 4.420 nan 0.000 0.268 375 P C -1.269 175.809 177.300 -0.370 0.000 1.205 375 P CA 0.222 62.917 63.100 -0.675 0.000 0.771 375 P CB 0.434 31.888 31.700 -0.410 0.000 0.858 376 H N 5.127 124.020 119.070 -0.295 0.000 2.551 376 H HA 0.366 4.922 4.556 0.000 0.000 0.321 376 H C -0.144 175.120 175.328 -0.107 0.000 1.028 376 H CA -0.398 55.554 56.048 -0.160 0.000 1.215 376 H CB 0.292 29.953 29.762 -0.168 0.000 1.414 376 H HN 0.446 nan 8.280 nan 0.000 0.480 377 R N 2.943 123.212 120.500 -0.384 0.000 1.005 377 R HA -0.217 4.123 4.340 0.000 0.000 0.429 377 R C -0.159 176.028 176.300 -0.188 0.000 1.360 377 R CA 0.351 56.304 56.100 -0.245 0.000 1.140 377 R CB -0.768 29.510 30.300 -0.037 0.000 3.349 377 R HN 0.663 nan 8.270 nan 0.000 0.512 378 Y N 0.881 121.149 120.300 -0.053 0.000 2.242 378 Y HA -0.221 4.329 4.550 0.000 0.000 0.291 378 Y C 2.524 178.446 175.900 0.037 0.000 1.137 378 Y CA 1.741 59.834 58.100 -0.012 0.000 1.181 378 Y CB -0.018 38.427 38.460 -0.025 0.000 0.989 378 Y HN 0.750 nan 8.280 nan 0.000 0.527 379 S N 0.274 116.086 115.700 0.187 0.000 2.356 379 S HA -0.254 4.216 4.470 0.000 0.000 0.223 379 S C 2.077 176.773 174.600 0.161 0.000 1.032 379 S CA 1.264 59.553 58.200 0.149 0.000 1.005 379 S CB -0.601 62.670 63.200 0.117 0.000 0.867 379 S HN 0.443 nan 8.310 nan 0.000 0.449 380 R N 1.269 121.871 120.500 0.169 0.000 2.081 380 R HA -0.099 4.241 4.340 0.000 0.000 0.235 380 R C 2.242 178.730 176.300 0.312 0.000 1.131 380 R CA 1.966 58.205 56.100 0.233 0.000 0.960 380 R CB -0.984 29.480 30.300 0.272 0.000 0.856 380 R HN 0.511 nan 8.270 nan 0.000 0.436 381 T N 0.811 115.491 114.554 0.209 0.000 2.684 381 T HA -0.215 4.135 4.350 0.000 0.000 0.267 381 T C 1.743 176.657 174.700 0.357 0.000 1.036 381 T CA 1.657 63.870 62.100 0.188 0.000 1.148 381 T CB -0.331 68.556 68.868 0.031 0.000 0.863 381 T HN 0.367 nan 8.240 nan 0.000 0.436 382 R N 1.075 121.746 120.500 0.286 0.000 2.080 382 R HA -0.172 4.169 4.340 0.000 0.000 0.236 382 R C 1.882 178.321 176.300 0.231 0.000 1.137 382 R CA 2.164 58.413 56.100 0.249 0.000 0.943 382 R CB -0.439 29.952 30.300 0.151 0.000 0.846 382 R HN 0.261 nan 8.270 nan 0.000 0.431 383 D N 0.350 120.866 120.400 0.193 0.000 2.144 383 D HA -0.113 4.527 4.640 0.000 0.000 0.199 383 D C 1.249 177.627 176.300 0.130 0.000 0.984 383 D CA 1.225 55.309 54.000 0.138 0.000 0.834 383 D CB 0.107 40.976 40.800 0.116 0.000 0.955 383 D HN 0.336 nan 8.370 nan 0.000 0.465 384 L N -0.373 120.962 121.223 0.187 0.000 3.202 384 L HA 0.228 4.569 4.340 0.000 0.000 0.278 384 L C 1.257 178.233 176.870 0.175 0.000 1.268 384 L CA -0.427 54.436 54.840 0.038 0.000 1.034 384 L CB 0.113 42.007 42.059 -0.276 0.000 1.407 384 L HN -0.150 nan 8.230 nan 0.000 0.581 385 F N 1.754 121.815 119.950 0.184 0.000 2.063 385 F HA -0.338 4.189 4.527 0.000 0.000 0.298 385 F C 2.124 178.002 175.800 0.130 0.000 1.109 385 F CA 2.171 60.301 58.000 0.216 0.000 1.212 385 F CB 0.268 39.343 39.000 0.125 0.000 0.973 385 F HN 0.285 nan 8.300 nan 0.000 0.480 386 D N 0.030 120.635 120.400 0.343 0.000 2.144 386 D HA -0.173 4.467 4.640 0.000 0.000 0.199 386 D C 1.789 178.103 176.300 0.023 0.000 0.984 386 D CA 1.502 55.616 54.000 0.191 0.000 0.834 386 D CB -0.512 40.365 40.800 0.129 0.000 0.955 386 D HN 0.403 nan 8.370 nan 0.000 0.465 387 D N -0.033 120.328 120.400 -0.065 0.000 2.144 387 D HA -0.094 4.546 4.640 0.000 0.000 0.200 387 D C 1.959 178.105 176.300 -0.256 0.000 0.978 387 D CA 0.377 54.259 54.000 -0.198 0.000 0.833 387 D CB -0.388 40.216 40.800 -0.327 0.000 0.961 387 D HN 0.176 nan 8.370 nan 0.000 0.470 388 F N 0.922 120.758 119.950 -0.189 0.000 2.102 388 F HA -0.165 4.362 4.527 0.001 0.000 0.298 388 F C 2.543 178.171 175.800 -0.286 0.000 1.105 388 F CA 0.549 58.381 58.000 -0.280 0.000 1.239 388 F CB -0.862 37.953 39.000 -0.309 0.000 0.991 388 F HN -0.167 nan 8.300 nan 0.000 0.474 389 V N -0.405 119.465 119.914 -0.074 0.000 2.392 389 V HA -0.289 3.831 4.120 0.000 0.000 0.249 389 V C 2.432 178.485 176.094 -0.068 0.000 1.059 389 V CA 1.687 63.928 62.300 -0.099 0.000 1.051 389 V CB -0.569 31.221 31.823 -0.056 0.000 0.658 389 V HN 0.327 nan 8.190 nan 0.000 0.455 390 Q N -0.780 118.981 119.800 -0.064 0.000 2.049 390 Q HA -0.108 4.233 4.340 0.000 0.000 0.198 390 Q C 2.413 178.364 176.000 -0.082 0.000 0.971 390 Q CA 1.687 57.453 55.803 -0.061 0.000 0.833 390 Q CB -0.778 27.923 28.738 -0.061 0.000 0.896 390 Q HN 0.539 nan 8.270 nan 0.000 0.434 391 V N 0.809 120.654 119.914 -0.115 0.000 2.453 391 V HA -0.161 3.959 4.120 0.000 0.000 0.247 391 V C 2.160 178.176 176.094 -0.129 0.000 1.048 391 V CA 1.076 63.299 62.300 -0.127 0.000 1.049 391 V CB -0.278 31.443 31.823 -0.169 0.000 0.672 391 V HN 0.272 nan 8.190 nan 0.000 0.457 392 L N -0.091 121.039 121.223 -0.155 0.000 2.362 392 L HA -0.065 4.275 4.340 0.000 0.000 0.219 392 L C 2.366 179.178 176.870 -0.097 0.000 1.134 392 L CA 1.339 56.077 54.840 -0.170 0.000 0.807 392 L CB -0.452 41.469 42.059 -0.230 0.000 0.927 392 L HN 0.268 nan 8.230 nan 0.000 0.447 393 S N -0.781 114.875 115.700 -0.074 0.000 2.607 393 S HA -0.048 4.422 4.470 0.000 0.000 0.224 393 S C 1.620 176.203 174.600 -0.030 0.000 0.969 393 S CA 0.489 58.664 58.200 -0.043 0.000 0.927 393 S CB -0.026 63.155 63.200 -0.032 0.000 0.772 393 S HN 0.398 nan 8.310 nan 0.000 0.533 394 Q N 0.999 120.778 119.800 -0.036 0.000 2.360 394 Q HA 0.133 4.473 4.340 0.000 0.000 0.202 394 Q C 0.663 176.662 176.000 -0.000 0.000 0.915 394 Q CA 0.091 55.883 55.803 -0.018 0.000 0.943 394 Q CB -0.006 28.717 28.738 -0.025 0.000 1.064 394 Q HN 0.570 nan 8.270 nan 0.000 0.511 395 V N -2.205 117.706 119.914 -0.005 0.000 2.973 395 V HA 0.277 4.397 4.120 0.000 0.000 0.314 395 V C 0.837 176.946 176.094 0.026 0.000 1.066 395 V CA -0.671 61.637 62.300 0.014 0.000 1.021 395 V CB 1.261 33.086 31.823 0.004 0.000 1.076 395 V HN -0.094 nan 8.190 nan 0.000 0.462 396 D N 1.573 122.000 120.400 0.044 0.000 2.194 396 D HA 0.238 4.879 4.640 0.000 0.000 0.204 396 D C 0.732 177.056 176.300 0.040 0.000 0.964 396 D CA 1.818 55.846 54.000 0.048 0.000 0.846 396 D CB 0.457 41.298 40.800 0.068 0.000 0.962 396 D HN 0.926 nan 8.370 nan 0.000 0.490 397 A N 0.343 123.186 122.820 0.038 0.000 2.488 397 A HA 0.561 4.881 4.320 0.000 0.000 0.298 397 A C -1.819 175.782 177.584 0.029 0.000 1.044 397 A CA -0.603 51.454 52.037 0.034 0.000 0.693 397 A CB 1.803 20.829 19.000 0.044 0.000 1.272 397 A HN 0.061 nan 8.150 nan 0.000 0.402 398 L N 2.684 123.921 121.223 0.024 0.000 2.406 398 L HA 0.737 5.078 4.340 0.000 0.000 0.272 398 L C -1.439 175.448 176.870 0.028 0.000 0.980 398 L CA -0.224 54.630 54.840 0.023 0.000 0.831 398 L CB 1.301 43.366 42.059 0.010 0.000 1.253 398 L HN 0.621 nan 8.230 nan 0.000 0.406 399 I N 5.696 126.286 120.570 0.034 0.000 2.354 399 I HA 0.412 4.582 4.170 0.000 0.000 0.292 399 I C -0.429 175.709 176.117 0.036 0.000 0.989 399 I CA -0.500 60.817 61.300 0.027 0.000 1.188 399 I CB 1.629 39.640 38.000 0.019 0.000 1.342 399 I HN 0.474 nan 8.210 nan 0.000 0.457 400 M N 7.041 126.657 119.600 0.026 0.000 2.180 400 M HA 0.474 4.954 4.480 0.000 0.000 0.350 400 M C -0.406 175.883 176.300 -0.018 0.000 1.125 400 M CA -0.447 54.868 55.300 0.026 0.000 1.031 400 M CB 1.467 34.082 32.600 0.024 0.000 1.623 400 M HN 0.396 nan 8.290 nan 0.000 0.451 401 L N 1.609 122.795 121.223 -0.061 0.000 2.387 401 L HA 0.385 4.725 4.340 0.000 0.000 0.266 401 L C 0.443 177.254 176.870 -0.098 0.000 1.059 401 L CA -0.980 53.809 54.840 -0.085 0.000 0.801 401 L CB 0.834 42.822 42.059 -0.119 0.000 1.223 401 L HN 0.526 nan 8.230 nan 0.000 0.456 402 D N 0.472 120.823 120.400 -0.081 0.000 2.378 402 D HA 0.092 4.732 4.640 0.000 0.000 0.238 402 D C -0.116 176.092 176.300 -0.154 0.000 1.180 402 D CA -0.173 53.775 54.000 -0.088 0.000 0.895 402 D CB 1.218 41.987 40.800 -0.052 0.000 1.192 402 D HN 0.004 nan 8.370 nan 0.000 0.438 403 V N 1.865 121.648 119.914 -0.219 0.000 2.720 403 V HA -0.197 3.923 4.120 0.000 0.000 0.307 403 V C 0.137 176.028 176.094 -0.339 0.000 1.071 403 V CA 0.406 62.477 62.300 -0.382 0.000 1.199 403 V CB -0.182 31.195 31.823 -0.742 0.000 0.900 403 V HN 0.395 nan 8.190 nan 0.000 0.494 404 Y N 4.911 124.956 120.300 -0.425 0.000 2.556 404 Y HA 0.467 5.017 4.550 0.000 0.000 0.352 404 Y C 1.102 176.732 175.900 -0.450 0.000 1.006 404 Y CA -0.090 57.795 58.100 -0.359 0.000 1.277 404 Y CB 0.720 39.005 38.460 -0.292 0.000 1.136 404 Y HN 0.768 nan 8.280 nan 0.000 0.523 405 A N 5.540 127.953 122.820 -0.678 0.000 1.908 405 A HA 0.022 4.343 4.320 0.000 0.000 0.218 405 A C 1.988 179.329 177.584 -0.405 0.000 1.181 405 A CA 1.500 53.277 52.037 -0.433 0.000 0.627 405 A CB -1.156 17.767 19.000 -0.129 0.000 0.818 405 A HN 1.771 nan 8.150 nan 0.000 0.445 406 A N -3.794 118.669 122.820 -0.595 0.000 2.829 406 A HA 0.075 4.395 4.320 0.000 0.000 0.267 406 A C 1.993 179.497 177.584 -0.133 0.000 1.370 406 A CA 2.039 53.897 52.037 -0.297 0.000 0.900 406 A CB -1.629 17.222 19.000 -0.247 0.000 1.044 406 A HN 2.541 nan 8.150 nan 0.000 0.691 407 G N -2.256 106.467 108.800 -0.129 0.000 3.033 407 G HA2 -0.044 3.916 3.960 0.000 0.000 0.196 407 G HA3 -0.044 3.916 3.960 0.000 0.000 0.196 407 G C -0.154 174.729 174.900 -0.028 0.000 1.078 407 G CA 0.312 45.380 45.100 -0.054 0.000 0.805 407 G HN 1.030 nan 8.290 nan 0.000 0.472 408 E N 1.265 121.467 120.200 0.003 0.000 2.366 408 E HA 0.568 4.919 4.350 0.000 0.000 0.266 408 E C 0.517 177.137 176.600 0.034 0.000 1.051 408 E CA 0.006 56.436 56.400 0.049 0.000 0.884 408 E CB 1.510 31.289 29.700 0.131 0.000 1.006 408 E HN 0.634 nan 8.360 nan 0.000 0.417 409 A N 3.902 126.683 122.820 -0.064 0.000 2.425 409 A HA 0.272 4.592 4.320 0.000 0.000 0.249 409 A C -2.148 175.136 177.584 -0.501 0.000 1.084 409 A CA -1.229 50.696 52.037 -0.187 0.000 0.781 409 A CB -0.267 18.648 19.000 -0.141 0.000 1.019 409 A HN 0.344 nan 8.150 nan 0.000 0.490 410 P HA 0.175 nan 4.420 nan 0.000 0.265 410 P C -0.827 176.067 177.300 -0.677 0.000 1.187 410 P CA 0.603 62.938 63.100 -1.275 0.000 0.766 410 P CB 0.299 31.631 31.700 -0.613 0.000 0.820 411 I N 2.527 122.763 120.570 -0.557 0.000 2.418 411 I HA 0.182 4.352 4.170 0.000 0.000 0.287 411 I C 0.036 176.097 176.117 -0.093 0.000 1.008 411 I CA -1.225 59.959 61.300 -0.192 0.000 1.104 411 I CB 1.835 39.800 38.000 -0.058 0.000 1.264 411 I HN 0.004 nan 8.210 nan 0.000 0.438 412 V N 5.519 125.388 119.914 -0.075 0.000 2.901 412 V HA 0.124 4.244 4.120 0.000 0.000 0.307 412 V C 1.386 177.474 176.094 -0.011 0.000 1.084 412 V CA 1.550 63.827 62.300 -0.038 0.000 1.184 412 V CB 0.776 32.574 31.823 -0.042 0.000 0.941 412 V HN 1.160 nan 8.190 nan 0.000 0.493 413 G N 3.552 112.359 108.800 0.012 0.000 2.184 413 G HA2 -0.159 3.801 3.960 0.000 0.000 0.264 413 G HA3 -0.159 3.801 3.960 0.000 0.000 0.264 413 G C 0.471 175.414 174.900 0.072 0.000 0.975 413 G CA 0.273 45.374 45.100 0.001 0.000 0.642 413 G HN 1.792 nan 8.290 nan 0.000 0.536 414 A N 0.257 123.171 122.820 0.157 0.000 2.674 414 A HA 0.602 4.923 4.320 0.000 0.000 0.286 414 A C 0.299 178.065 177.584 0.303 0.000 0.980 414 A CA 0.766 52.972 52.037 0.281 0.000 1.028 414 A CB 0.288 19.435 19.000 0.245 0.000 1.199 414 A HN 0.651 nan 8.150 nan 0.000 0.499 415 D N -1.723 118.829 120.400 0.254 0.000 2.592 415 D HA 0.420 5.061 4.640 0.000 0.000 0.259 415 D C 0.879 177.242 176.300 0.105 0.000 1.144 415 D CA -0.166 53.951 54.000 0.196 0.000 1.080 415 D CB 0.296 41.227 40.800 0.218 0.000 1.225 415 D HN -0.179 nan 8.370 nan 0.000 0.619 416 S N -1.070 114.651 115.700 0.036 0.000 2.402 416 S HA -0.136 4.335 4.470 0.000 0.000 0.229 416 S C 1.560 176.179 174.600 0.032 0.000 1.021 416 S CA 1.028 59.229 58.200 0.001 0.000 0.974 416 S CB -0.311 62.869 63.200 -0.034 0.000 0.800 416 S HN 0.545 nan 8.310 nan 0.000 0.484 417 K N 1.285 121.717 120.400 0.054 0.000 2.057 417 K HA -0.046 4.274 4.320 0.000 0.000 0.207 417 K C 2.175 178.827 176.600 0.087 0.000 1.049 417 K CA 1.418 57.739 56.287 0.057 0.000 0.931 417 K CB -0.148 32.384 32.500 0.053 0.000 0.714 417 K HN 0.195 nan 8.250 nan 0.000 0.440 418 S N 1.204 116.987 115.700 0.138 0.000 2.355 418 S HA -0.084 4.386 4.470 0.000 0.000 0.222 418 S C 1.832 176.608 174.600 0.294 0.000 1.031 418 S CA 0.931 59.269 58.200 0.230 0.000 0.993 418 S CB -0.208 63.176 63.200 0.307 0.000 0.859 418 S HN 0.256 nan 8.310 nan 0.000 0.453 419 L N 0.750 122.061 121.223 0.148 0.000 2.012 419 L HA -0.215 4.125 4.340 0.000 0.000 0.210 419 L C 2.611 179.458 176.870 -0.038 0.000 1.073 419 L CA 1.172 55.932 54.840 -0.133 0.000 0.748 419 L CB -0.623 41.295 42.059 -0.236 0.000 0.891 419 L HN 0.435 nan 8.230 nan 0.000 0.431 420 C N -0.922 118.382 119.300 0.007 0.000 2.432 420 C HA -0.192 4.268 4.460 0.000 0.000 0.277 420 C C 2.969 177.979 174.990 0.033 0.000 1.249 420 C CA 0.894 59.919 59.018 0.013 0.000 1.725 420 C CB -0.951 26.800 27.740 0.020 0.000 2.028 420 C HN 0.476 nan 8.230 nan 0.000 0.477 421 R N 1.005 121.541 120.500 0.061 0.000 2.094 421 R HA -0.168 4.172 4.340 0.000 0.000 0.239 421 R C 2.229 178.575 176.300 0.078 0.000 1.137 421 R CA 2.306 58.447 56.100 0.068 0.000 0.943 421 R CB -0.425 29.926 30.300 0.084 0.000 0.850 421 R HN 0.474 nan 8.270 nan 0.000 0.433 422 S N 0.490 116.263 115.700 0.123 0.000 2.382 422 S HA -0.112 4.358 4.470 0.000 0.000 0.228 422 S C 1.916 176.555 174.600 0.066 0.000 1.027 422 S CA 1.393 59.673 58.200 0.134 0.000 0.991 422 S CB -0.204 63.165 63.200 0.282 0.000 0.823 422 S HN 0.304 nan 8.310 nan 0.000 0.469 423 I N 1.225 121.809 120.570 0.023 0.000 2.179 423 I HA -0.205 3.965 4.170 0.000 0.000 0.242 423 I C 2.707 178.831 176.117 0.012 0.000 1.088 423 I CA 1.251 62.550 61.300 -0.001 0.000 1.357 423 I CB -0.319 37.663 38.000 -0.029 0.000 1.051 423 I HN 0.210 nan 8.210 nan 0.000 0.409 424 R N 1.235 121.747 120.500 0.019 0.000 2.103 424 R HA -0.222 4.119 4.340 0.000 0.000 0.242 424 R C 2.057 178.370 176.300 0.023 0.000 1.142 424 R CA 2.039 58.151 56.100 0.020 0.000 0.960 424 R CB -0.223 30.091 30.300 0.023 0.000 0.858 424 R HN 0.366 nan 8.270 nan 0.000 0.439 425 N N 0.704 119.422 118.700 0.031 0.000 2.223 425 N HA -0.158 4.583 4.740 0.000 0.000 0.185 425 N C 1.715 177.241 175.510 0.026 0.000 1.016 425 N CA 0.890 53.958 53.050 0.030 0.000 0.863 425 N CB -0.199 38.312 38.487 0.039 0.000 0.983 425 N HN 0.301 nan 8.380 nan 0.000 0.429 426 L N 0.091 121.329 121.223 0.025 0.000 2.191 426 L HA -0.105 4.235 4.340 0.000 0.000 0.212 426 L C 1.095 177.973 176.870 0.013 0.000 1.103 426 L CA 1.192 56.043 54.840 0.018 0.000 0.769 426 L CB -0.588 41.478 42.059 0.013 0.000 0.908 426 L HN 0.349 nan 8.230 nan 0.000 0.438 427 G N -0.453 108.355 108.800 0.013 0.000 2.136 427 G HA2 -0.302 3.659 3.960 0.000 0.000 0.242 427 G HA3 -0.302 3.659 3.960 0.000 0.000 0.242 427 G C 0.918 175.824 174.900 0.009 0.000 0.989 427 G CA 0.654 45.760 45.100 0.011 0.000 0.682 427 G HN 0.359 nan 8.290 nan 0.000 0.522 428 K N -1.309 119.095 120.400 0.007 0.000 2.244 428 K HA 0.497 4.817 4.320 0.000 0.000 0.200 428 K C 0.697 177.302 176.600 0.007 0.000 1.052 428 K CA 1.013 57.304 56.287 0.006 0.000 0.980 428 K CB 0.985 33.486 32.500 0.001 0.000 0.838 428 K HN 0.491 nan 8.250 nan 0.000 0.481 429 V N 1.105 121.022 119.914 0.005 0.000 2.971 429 V HA 0.251 4.372 4.120 0.000 0.000 0.309 429 V C -2.180 173.919 176.094 0.008 0.000 1.130 429 V CA -0.902 61.403 62.300 0.008 0.000 0.964 429 V CB 2.183 34.008 31.823 0.004 0.000 1.029 429 V HN 0.047 nan 8.190 nan 0.000 0.427 430 D N 6.394 126.802 120.400 0.012 0.000 2.454 430 D HA 0.578 5.218 4.640 0.000 0.000 0.225 430 D C -2.533 173.775 176.300 0.014 0.000 1.081 430 D CA -1.611 52.397 54.000 0.013 0.000 0.864 430 D CB 1.793 42.602 40.800 0.015 0.000 1.040 430 D HN 0.426 nan 8.370 nan 0.000 0.517 431 P HA 0.368 nan 4.420 nan 0.000 0.276 431 P C -0.353 176.957 177.300 0.016 0.000 1.244 431 P CA -0.426 62.682 63.100 0.013 0.000 0.801 431 P CB 1.023 32.729 31.700 0.009 0.000 1.006 432 I N 1.678 122.258 120.570 0.017 0.000 2.354 432 I HA 0.241 4.411 4.170 0.000 0.000 0.292 432 I C -0.132 175.992 176.117 0.013 0.000 0.989 432 I CA -1.010 60.299 61.300 0.016 0.000 1.188 432 I CB 1.322 39.333 38.000 0.018 0.000 1.342 432 I HN 0.157 nan 8.210 nan 0.000 0.457 433 L N 8.608 129.837 121.223 0.010 0.000 2.276 433 L HA 0.442 4.782 4.340 0.000 0.000 0.286 433 L C -0.557 176.313 176.870 0.000 0.000 1.061 433 L CA -0.032 54.811 54.840 0.005 0.000 0.807 433 L CB 1.220 43.283 42.059 0.007 0.000 1.177 433 L HN 0.335 nan 8.230 nan 0.000 0.429 434 V N 5.555 125.464 119.914 -0.008 0.000 2.284 434 V HA 0.282 4.402 4.120 0.000 0.000 0.274 434 V C 0.848 176.930 176.094 -0.020 0.000 1.023 434 V CA -0.121 62.171 62.300 -0.012 0.000 0.808 434 V CB 0.676 32.490 31.823 -0.015 0.000 1.035 434 V HN 0.976 nan 8.190 nan 0.000 0.445 435 S N 2.026 117.718 115.700 -0.015 0.000 2.425 435 S HA -0.034 4.436 4.470 0.000 0.000 0.225 435 S C 0.825 175.413 174.600 -0.019 0.000 1.024 435 S CA 0.630 58.820 58.200 -0.017 0.000 0.951 435 S CB 0.017 63.212 63.200 -0.009 0.000 0.796 435 S HN 0.884 nan 8.310 nan 0.000 0.498 436 D N 1.685 122.075 120.400 -0.017 0.000 2.443 436 D HA 0.198 4.838 4.640 0.000 0.000 0.221 436 D C 1.083 177.367 176.300 -0.026 0.000 1.097 436 D CA -0.189 53.800 54.000 -0.019 0.000 0.865 436 D CB 1.163 41.955 40.800 -0.013 0.000 1.034 436 D HN 0.133 nan 8.370 nan 0.000 0.511 437 T N 0.065 114.599 114.554 -0.034 0.000 3.051 437 T HA -0.160 4.190 4.350 0.000 0.000 0.269 437 T C 1.779 176.449 174.700 -0.051 0.000 1.127 437 T CA 1.022 63.093 62.100 -0.048 0.000 1.107 437 T CB -0.343 68.489 68.868 -0.059 0.000 0.898 437 T HN 0.286 nan 8.240 nan 0.000 0.517 438 S N 1.731 117.408 115.700 -0.039 0.000 2.442 438 S HA -0.159 4.311 4.470 0.000 0.000 0.236 438 S C 1.882 176.465 174.600 -0.027 0.000 1.007 438 S CA 0.662 58.841 58.200 -0.036 0.000 0.965 438 S CB -0.593 62.592 63.200 -0.025 0.000 0.773 438 S HN 0.723 nan 8.310 nan 0.000 0.504 439 Q N -0.069 119.719 119.800 -0.021 0.000 2.360 439 Q HA 0.308 4.648 4.340 0.000 0.000 0.202 439 Q C 1.619 177.616 176.000 -0.006 0.000 0.915 439 Q CA -0.111 55.688 55.803 -0.007 0.000 0.943 439 Q CB -0.089 28.648 28.738 -0.001 0.000 1.064 439 Q HN 0.449 nan 8.270 nan 0.000 0.511 440 L N 0.887 122.093 121.223 -0.029 0.000 2.012 440 L HA -0.100 4.240 4.340 0.000 0.000 0.210 440 L C 2.052 178.922 176.870 -0.000 0.000 1.073 440 L CA 2.393 57.213 54.840 -0.033 0.000 0.748 440 L CB -1.024 40.987 42.059 -0.080 0.000 0.891 440 L HN 0.205 nan 8.230 nan 0.000 0.431 441 G N -1.159 107.636 108.800 -0.009 0.000 2.446 441 G HA2 -0.296 3.664 3.960 0.000 0.000 0.217 441 G HA3 -0.296 3.664 3.960 0.000 0.000 0.217 441 G C 1.304 176.310 174.900 0.176 0.000 1.168 441 G CA 0.916 46.083 45.100 0.111 0.000 0.771 441 G HN 0.448 nan 8.290 nan 0.000 0.551 442 D N 0.094 120.555 120.400 0.102 0.000 2.117 442 D HA -0.078 4.562 4.640 0.000 0.000 0.197 442 D C 2.773 179.115 176.300 0.070 0.000 0.987 442 D CA 0.674 54.723 54.000 0.082 0.000 0.829 442 D CB -0.416 40.415 40.800 0.051 0.000 0.961 442 D HN 0.204 nan 8.370 nan 0.000 0.460 443 V N 1.080 121.028 119.914 0.057 0.000 2.295 443 V HA -0.202 3.919 4.120 0.000 0.000 0.246 443 V C 2.687 178.820 176.094 0.065 0.000 1.049 443 V CA 1.057 63.386 62.300 0.048 0.000 1.024 443 V CB -0.414 31.427 31.823 0.031 0.000 0.648 443 V HN 0.196 nan 8.190 nan 0.000 0.447 444 L N -0.247 121.033 121.223 0.095 0.000 2.012 444 L HA -0.228 4.112 4.340 0.000 0.000 0.210 444 L C 2.455 179.391 176.870 0.109 0.000 1.073 444 L CA 1.823 56.739 54.840 0.126 0.000 0.748 444 L CB -0.699 41.495 42.059 0.226 0.000 0.891 444 L HN 0.367 nan 8.230 nan 0.000 0.431 445 D N -0.366 120.103 120.400 0.115 0.000 2.149 445 D HA -0.222 4.419 4.640 0.000 0.000 0.198 445 D C 2.218 178.537 176.300 0.031 0.000 0.990 445 D CA 1.194 55.223 54.000 0.048 0.000 0.839 445 D CB -0.136 40.688 40.800 0.041 0.000 0.948 445 D HN 0.472 nan 8.370 nan 0.000 0.460 446 Q N -0.203 119.621 119.800 0.040 0.000 2.369 446 Q HA -0.018 4.322 4.340 0.000 0.000 0.206 446 Q C 2.204 178.222 176.000 0.030 0.000 0.963 446 Q CA 0.605 56.426 55.803 0.030 0.000 0.894 446 Q CB 0.090 28.845 28.738 0.029 0.000 0.965 446 Q HN 0.523 nan 8.270 nan 0.000 0.475 447 I N -3.742 116.852 120.570 0.039 0.000 4.035 447 I HA 0.216 4.386 4.170 0.000 0.000 0.321 447 I C 0.650 176.792 176.117 0.043 0.000 1.289 447 I CA -0.435 60.888 61.300 0.039 0.000 1.236 447 I CB 0.398 38.423 38.000 0.043 0.000 1.076 447 I HN -0.101 nan 8.210 nan 0.000 0.418 448 I N 2.511 123.106 120.570 0.042 0.000 2.815 448 I HA -0.030 4.140 4.170 0.000 0.000 0.291 448 I C 0.055 176.194 176.117 0.037 0.000 1.209 448 I CA 1.020 62.345 61.300 0.043 0.000 1.431 448 I CB 0.540 38.550 38.000 0.017 0.000 1.351 448 I HN 0.419 nan 8.210 nan 0.000 0.585 449 Q N 3.492 123.324 119.800 0.053 0.000 2.451 449 Q HA 0.254 4.594 4.340 0.000 0.000 0.281 449 Q C -1.097 174.939 176.000 0.059 0.000 1.099 449 Q CA -0.982 54.850 55.803 0.048 0.000 0.806 449 Q CB 1.976 30.746 28.738 0.053 0.000 1.419 449 Q HN 0.486 nan 8.270 nan 0.000 0.427 450 D N -0.306 120.119 120.400 0.042 0.000 2.488 450 D HA 0.175 4.815 4.640 0.000 0.000 0.238 450 D C 0.905 177.248 176.300 0.072 0.000 1.138 450 D CA 2.287 56.313 54.000 0.044 0.000 0.873 450 D CB 0.428 41.239 40.800 0.019 0.000 1.183 450 D HN 0.696 nan 8.370 nan 0.000 0.458 451 G N 2.993 111.858 108.800 0.109 0.000 2.179 451 G HA2 -0.258 3.703 3.960 0.000 0.000 0.260 451 G HA3 -0.258 3.703 3.960 0.000 0.000 0.260 451 G C 0.016 175.157 174.900 0.401 0.000 0.977 451 G CA 0.199 45.398 45.100 0.165 0.000 0.641 451 G HN 0.641 nan 8.290 nan 0.000 0.533 452 D N -0.031 120.566 120.400 0.328 0.000 2.455 452 D HA 0.330 4.970 4.640 0.000 0.000 0.241 452 D C 0.702 177.228 176.300 0.376 0.000 1.138 452 D CA 0.068 54.285 54.000 0.363 0.000 0.877 452 D CB 1.263 42.180 40.800 0.196 0.000 1.187 452 D HN 0.357 nan 8.370 nan 0.000 0.451 453 L N 3.043 124.376 121.223 0.184 0.000 2.275 453 L HA 0.375 4.715 4.340 0.000 0.000 0.288 453 L C -0.527 176.268 176.870 -0.125 0.000 1.046 453 L CA -0.520 54.148 54.840 -0.286 0.000 0.805 453 L CB 0.492 41.912 42.059 -1.064 0.000 1.193 453 L HN 0.272 nan 8.230 nan 0.000 0.426 454 I N 6.439 126.961 120.570 -0.080 0.000 2.312 454 I HA 0.257 4.427 4.170 0.000 0.000 0.290 454 I C -0.585 175.462 176.117 -0.117 0.000 1.008 454 I CA -0.327 60.950 61.300 -0.038 0.000 1.226 454 I CB 1.246 39.279 38.000 0.055 0.000 1.371 454 I HN 0.469 nan 8.210 nan 0.000 0.468 455 L N 6.462 127.613 121.223 -0.120 0.000 2.262 455 L HA 0.515 4.855 4.340 0.000 0.000 0.288 455 L C 0.431 177.244 176.870 -0.095 0.000 1.035 455 L CA -0.487 54.255 54.840 -0.164 0.000 0.820 455 L CB 1.388 43.357 42.059 -0.150 0.000 1.204 455 L HN 0.667 nan 8.230 nan 0.000 0.424 456 A N 3.999 126.752 122.820 -0.112 0.000 2.350 456 A HA 0.462 4.782 4.320 0.000 0.000 0.293 456 A C -0.323 177.219 177.584 -0.069 0.000 1.231 456 A CA -0.208 51.775 52.037 -0.091 0.000 0.883 456 A CB 0.504 19.432 19.000 -0.119 0.000 1.133 456 A HN 0.647 nan 8.150 nan 0.000 0.533 457 Q N 1.900 121.690 119.800 -0.017 0.000 2.330 457 Q HA 0.638 4.978 4.340 0.000 0.000 0.269 457 Q C -0.231 175.755 176.000 -0.023 0.000 1.022 457 Q CA 0.595 56.432 55.803 0.057 0.000 0.796 457 Q CB 1.773 30.651 28.738 0.233 0.000 1.271 457 Q HN 1.714 nan 8.270 nan 0.000 0.450 458 G N 1.212 109.976 108.800 -0.059 0.000 2.347 458 G HA2 0.374 4.334 3.960 0.000 0.000 0.321 458 G HA3 0.374 4.334 3.960 0.000 0.000 0.321 458 G C -0.652 174.071 174.900 -0.295 0.000 1.412 458 G CA -0.165 44.815 45.100 -0.200 0.000 0.990 458 G HN 0.765 nan 8.290 nan 0.000 0.637 459 A N -0.698 121.850 122.820 -0.454 0.000 2.267 459 A HA 0.683 5.003 4.320 0.000 0.000 0.213 459 A C 1.597 178.908 177.584 -0.456 0.000 1.192 459 A CA 1.911 53.480 52.037 -0.780 0.000 0.851 459 A CB -0.286 17.930 19.000 -1.307 0.000 0.881 459 A HN 1.964 nan 8.150 nan 0.000 0.494 460 G N -0.442 108.110 108.800 -0.413 0.000 3.022 460 G HA2 0.296 4.256 3.960 0.000 0.000 0.157 460 G HA3 0.296 4.256 3.960 0.000 0.000 0.157 460 G C 1.284 175.779 174.900 -0.674 0.000 1.468 460 G CA 0.715 45.319 45.100 -0.826 0.000 1.058 460 G HN 0.601 nan 8.290 nan 0.000 0.581 461 S N -0.685 114.525 115.700 -0.816 0.000 2.555 461 S HA -0.078 4.393 4.470 0.000 0.000 0.230 461 S C 2.208 176.681 174.600 -0.212 0.000 0.978 461 S CA 0.986 58.990 58.200 -0.327 0.000 0.934 461 S CB -0.012 63.129 63.200 -0.099 0.000 0.766 461 S HN 0.475 nan 8.310 nan 0.000 0.533 462 V N 1.743 121.512 119.914 -0.242 0.000 2.380 462 V HA -0.209 3.911 4.120 0.000 0.000 0.251 462 V C 2.653 178.656 176.094 -0.151 0.000 1.063 462 V CA 2.453 64.641 62.300 -0.188 0.000 1.055 462 V CB -0.906 30.789 31.823 -0.212 0.000 0.657 462 V HN 0.691 nan 8.190 nan 0.000 0.455 463 S N -1.002 114.618 115.700 -0.133 0.000 2.368 463 S HA -0.254 4.216 4.470 0.000 0.000 0.224 463 S C 2.113 176.653 174.600 -0.100 0.000 1.029 463 S CA 2.121 60.263 58.200 -0.096 0.000 0.988 463 S CB -0.411 62.757 63.200 -0.053 0.000 0.838 463 S HN 0.728 nan 8.310 nan 0.000 0.462 464 K N 0.395 120.734 120.400 -0.100 0.000 2.057 464 K HA -0.007 4.314 4.320 0.000 0.000 0.207 464 K C 2.025 178.559 176.600 -0.110 0.000 1.049 464 K CA 1.551 57.784 56.287 -0.090 0.000 0.931 464 K CB -0.291 32.164 32.500 -0.075 0.000 0.714 464 K HN 0.427 nan 8.250 nan 0.000 0.440 465 I N 1.171 121.667 120.570 -0.123 0.000 2.163 465 I HA -0.323 3.847 4.170 0.000 0.000 0.243 465 I C 2.498 178.500 176.117 -0.191 0.000 1.085 465 I CA 1.637 62.852 61.300 -0.143 0.000 1.347 465 I CB -0.406 37.513 38.000 -0.134 0.000 1.044 465 I HN 0.341 nan 8.210 nan 0.000 0.408 466 S N 1.098 116.684 115.700 -0.190 0.000 2.382 466 S HA -0.193 4.277 4.470 0.000 0.000 0.228 466 S C 2.085 176.533 174.600 -0.253 0.000 1.027 466 S CA 0.943 59.001 58.200 -0.237 0.000 0.991 466 S CB -0.496 62.593 63.200 -0.186 0.000 0.823 466 S HN 0.400 nan 8.310 nan 0.000 0.469 467 R N 0.946 121.339 120.500 -0.178 0.000 2.115 467 R HA 0.118 4.458 4.340 0.000 0.000 0.226 467 R C 2.736 178.933 176.300 -0.171 0.000 1.100 467 R CA 0.949 56.961 56.100 -0.148 0.000 0.980 467 R CB -0.874 29.373 30.300 -0.088 0.000 0.875 467 R HN 0.581 nan 8.270 nan 0.000 0.445 468 G N 1.333 110.026 108.800 -0.178 0.000 2.408 468 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 468 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 468 G C 1.296 176.027 174.900 -0.282 0.000 1.150 468 G CA 0.210 45.203 45.100 -0.178 0.000 0.776 468 G HN 0.094 nan 8.290 nan 0.000 0.542 469 L N 1.454 122.426 121.223 -0.417 0.000 2.017 469 L HA 0.138 4.478 4.340 0.000 0.000 0.208 469 L C 3.134 179.475 176.870 -0.882 0.000 1.073 469 L CA 1.956 56.356 54.840 -0.734 0.000 0.745 469 L CB -0.921 40.585 42.059 -0.921 0.000 0.894 469 L HN 0.253 nan 8.230 nan 0.000 0.432 470 A N -1.091 121.324 122.820 -0.675 0.000 1.908 470 A HA -0.289 4.031 4.320 0.000 0.000 0.218 470 A C 2.328 179.809 177.584 -0.173 0.000 1.181 470 A CA 2.004 53.713 52.037 -0.546 0.000 0.627 470 A CB -0.692 18.144 19.000 -0.274 0.000 0.818 470 A HN 0.577 nan 8.150 nan 0.000 0.445 471 E N -0.300 119.826 120.200 -0.122 0.000 2.051 471 E HA -0.133 4.217 4.350 0.000 0.000 0.192 471 E C 2.271 178.880 176.600 0.015 0.000 0.991 471 E CA 1.236 57.630 56.400 -0.010 0.000 0.799 471 E CB -0.076 29.606 29.700 -0.030 0.000 0.748 471 E HN 0.581 nan 8.360 nan 0.000 0.449 472 S N 0.094 115.758 115.700 -0.061 0.000 2.374 472 S HA -0.176 4.294 4.470 0.000 0.000 0.227 472 S C 1.260 175.962 174.600 0.171 0.000 1.037 472 S CA 1.176 59.378 58.200 0.003 0.000 1.024 472 S CB -0.305 62.843 63.200 -0.087 0.000 0.861 472 S HN 0.450 nan 8.310 nan 0.000 0.456 473 W N 1.739 123.002 121.300 -0.062 0.000 2.800 473 W HA 0.271 4.932 4.660 0.000 0.000 0.249 473 W C 2.154 178.766 176.519 0.155 0.000 1.294 473 W CA -0.340 56.995 57.345 -0.016 0.000 1.402 473 W CB -0.515 28.810 29.460 -0.224 0.000 1.126 473 W HN 0.287 nan 8.180 nan 0.000 0.652 474 K N 0.588 121.217 120.400 0.382 0.000 2.076 474 K HA -0.087 4.234 4.320 0.000 0.000 0.204 474 K C 1.043 177.770 176.600 0.213 0.000 1.051 474 K CA 0.863 57.365 56.287 0.359 0.000 0.949 474 K CB -0.093 32.588 32.500 0.302 0.000 0.726 474 K HN 0.237 nan 8.250 nan 0.000 0.443 475 N N 0.000 118.797 118.700 0.162 0.000 1.763 475 N HA 0.000 4.740 4.740 0.000 0.000 0.220 475 N CA 0.000 53.116 53.050 0.111 0.000 0.885 475 N CB 0.000 38.536 38.487 0.081 0.000 1.341 475 N HN 0.000 nan 8.380 nan 0.000 0.667