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 1cqi_1_A DATA FIRST_RESID 1 DATA SEQUENCE SILIDKNTKV ICQGFTGSQG TFHSEQAIAY GTKMVGGVTP GKGGTTHLGL DATA SEQUENCE PVFNTVREAV AATGATASVI YVPAPFCKDS ILEAIDAGIK LIITITEGIP DATA SEQUENCE TLDMLTVKVK LDEAGVRMIG PNCPGVITPG ECKIGIQPGH IHKPGKVGIV DATA SEQUENCE SRSGTLTYEA VKQTTDYGFG QSTCVGIGGD PIPGSNFIDI LEMFEKDPQT DATA SEQUENCE EAIVMIGEIG GSAEEEAAAY IKEHVTKPVV GYIAGVTAPK GKRMGHAGAI DATA SEQUENCE IAGGKGTADE KFAALEAAGV KTVRSLADIG EALKTV 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.646 174.600 0.076 0.000 1.055 1 S CA 0.000 58.265 58.200 0.109 0.000 1.107 1 S CB 0.000 63.243 63.200 0.072 0.000 0.593 2 I N 2.499 123.095 120.570 0.043 0.000 3.145 2 I HA 0.623 4.793 4.170 -0.000 0.000 0.313 2 I C 1.096 177.181 176.117 -0.054 0.000 1.122 2 I CA -1.266 60.010 61.300 -0.040 0.000 0.987 2 I CB 1.243 39.143 38.000 -0.167 0.000 1.236 2 I HN 0.778 nan 8.210 nan 0.000 0.453 3 L N 0.358 121.537 121.223 -0.074 0.000 3.415 3 L HA -0.315 4.025 4.340 -0.000 0.000 0.185 3 L C 0.404 177.250 176.870 -0.040 0.000 4.448 3 L CA 2.396 57.197 54.840 -0.066 0.000 0.483 3 L CB -1.408 40.601 42.059 -0.084 0.000 3.552 3 L HN 0.844 nan 8.230 nan 0.000 0.712 4 I N -2.550 118.003 120.570 -0.028 0.000 3.264 4 I HA 0.824 4.994 4.170 -0.000 0.000 0.315 4 I C -1.462 174.656 176.117 0.002 0.000 1.154 4 I CA -0.538 60.753 61.300 -0.015 0.000 0.962 4 I CB 2.296 40.283 38.000 -0.021 0.000 1.265 4 I HN 0.296 nan 8.210 nan 0.000 0.463 5 D N -0.368 120.038 120.400 0.009 0.000 2.710 5 D HA 0.148 4.788 4.640 -0.000 0.000 0.276 5 D C -0.131 176.185 176.300 0.026 0.000 1.267 5 D CA -0.722 53.292 54.000 0.022 0.000 0.772 5 D CB 1.049 41.862 40.800 0.023 0.000 1.299 5 D HN 0.741 nan 8.370 nan 0.000 0.421 6 K N -0.397 120.024 120.400 0.034 0.000 2.374 6 K HA -0.247 4.073 4.320 -0.000 0.000 0.202 6 K C 0.615 177.230 176.600 0.024 0.000 1.044 6 K CA 1.388 57.695 56.287 0.034 0.000 0.933 6 K CB -0.477 32.042 32.500 0.031 0.000 0.745 6 K HN 0.227 nan 8.250 nan 0.000 0.474 7 N N 0.390 119.102 118.700 0.019 0.000 2.280 7 N HA 0.022 4.762 4.740 -0.000 0.000 0.192 7 N C -0.613 174.902 175.510 0.010 0.000 1.109 7 N CA 0.284 53.342 53.050 0.014 0.000 0.855 7 N CB 0.642 39.136 38.487 0.012 0.000 0.974 7 N HN 0.136 nan 8.380 nan 0.000 0.482 8 T N 1.863 116.422 114.554 0.009 0.000 2.737 8 T HA 0.183 4.533 4.350 -0.000 0.000 0.296 8 T C 0.293 174.995 174.700 0.003 0.000 0.922 8 T CA -0.044 62.058 62.100 0.003 0.000 1.079 8 T CB 0.797 69.664 68.868 -0.002 0.000 0.892 8 T HN -0.057 nan 8.240 nan 0.000 0.514 9 K N 2.743 123.144 120.400 0.001 0.000 2.172 9 K HA 0.591 4.911 4.320 -0.000 0.000 0.276 9 K C -0.719 175.877 176.600 -0.006 0.000 1.013 9 K CA -0.698 55.590 56.287 0.001 0.000 0.913 9 K CB 1.521 34.023 32.500 0.003 0.000 1.055 9 K HN 0.264 nan 8.250 nan 0.000 0.461 10 V N 4.534 124.442 119.914 -0.011 0.000 2.735 10 V HA 0.501 4.621 4.120 -0.000 0.000 0.310 10 V C -0.203 175.862 176.094 -0.047 0.000 1.061 10 V CA -0.961 61.327 62.300 -0.020 0.000 0.913 10 V CB 1.710 33.527 31.823 -0.010 0.000 1.005 10 V HN 0.684 nan 8.190 nan 0.000 0.428 11 I N 1.468 122.006 120.570 -0.053 0.000 2.740 11 I HA 0.858 5.028 4.170 -0.000 0.000 0.303 11 I C -0.466 175.604 176.117 -0.079 0.000 1.044 11 I CA -0.552 60.684 61.300 -0.108 0.000 1.064 11 I CB 2.007 39.965 38.000 -0.069 0.000 1.249 11 I HN 0.709 nan 8.210 nan 0.000 0.433 12 C N 4.449 123.669 119.300 -0.133 0.000 2.408 12 C HA 0.532 4.992 4.460 -0.000 0.000 0.321 12 C C -0.414 174.617 174.990 0.068 0.000 1.245 12 C CA -0.165 58.871 59.018 0.030 0.000 1.523 12 C CB 1.451 29.314 27.740 0.205 0.000 2.178 12 C HN 0.936 nan 8.230 nan 0.000 0.488 13 Q N 3.033 122.897 119.800 0.106 0.000 2.274 13 Q HA 0.506 4.846 4.340 -0.000 0.000 0.256 13 Q C 0.807 176.912 176.000 0.175 0.000 0.927 13 Q CA 0.489 56.358 55.803 0.108 0.000 0.939 13 Q CB 1.612 30.386 28.738 0.058 0.000 1.201 13 Q HN 1.459 nan 8.270 nan 0.000 0.426 14 G N 2.311 111.209 108.800 0.164 0.000 2.255 14 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.239 14 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.239 14 G C -0.055 174.979 174.900 0.224 0.000 1.083 14 G CA -0.065 45.124 45.100 0.149 0.000 0.826 14 G HN 0.706 nan 8.290 nan 0.000 0.493 15 F N 1.504 121.476 119.950 0.036 0.000 2.259 15 F HA 0.044 4.571 4.527 -0.000 0.000 0.298 15 F C 2.461 178.222 175.800 -0.066 0.000 1.088 15 F CA 2.284 60.306 58.000 0.036 0.000 1.358 15 F CB -0.032 38.984 39.000 0.026 0.000 1.040 15 F HN 0.297 nan 8.300 nan 0.000 0.505 16 T N -1.686 112.734 114.554 -0.224 0.000 3.129 16 T HA 0.340 4.690 4.350 -0.000 0.000 0.251 16 T C 1.132 175.669 174.700 -0.272 0.000 1.117 16 T CA 0.241 62.014 62.100 -0.544 0.000 1.034 16 T CB -0.748 67.847 68.868 -0.454 0.000 0.968 16 T HN 0.251 nan 8.240 nan 0.000 0.526 17 G N 0.734 109.456 108.800 -0.130 0.000 2.557 17 G HA2 0.439 4.399 3.960 -0.000 0.000 0.292 17 G HA3 0.439 4.399 3.960 -0.000 0.000 0.292 17 G C 0.769 175.624 174.900 -0.075 0.000 1.237 17 G CA -0.414 44.639 45.100 -0.079 0.000 0.978 17 G HN 0.171 nan 8.290 nan 0.000 0.498 18 S N -0.170 115.488 115.700 -0.070 0.000 2.426 18 S HA -0.177 4.293 4.470 -0.000 0.000 0.220 18 S C 2.427 176.959 174.600 -0.113 0.000 1.040 18 S CA 1.345 59.490 58.200 -0.092 0.000 1.094 18 S CB -0.378 62.765 63.200 -0.095 0.000 1.072 18 S HN 0.594 nan 8.310 nan 0.000 0.415 19 Q N 0.635 120.369 119.800 -0.110 0.000 2.181 19 Q HA -0.080 4.260 4.340 -0.000 0.000 0.205 19 Q C 2.418 178.181 176.000 -0.396 0.000 0.980 19 Q CA 1.515 57.208 55.803 -0.184 0.000 0.862 19 Q CB -1.083 27.638 28.738 -0.029 0.000 0.905 19 Q HN 0.648 nan 8.270 nan 0.000 0.429 20 G N 0.352 108.976 108.800 -0.293 0.000 2.459 20 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 20 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 20 G C 1.509 176.303 174.900 -0.178 0.000 1.183 20 G CA 1.479 46.399 45.100 -0.300 0.000 0.776 20 G HN 0.323 nan 8.290 nan 0.000 0.552 21 T N 0.789 115.279 114.554 -0.107 0.000 2.614 21 T HA -0.127 4.223 4.350 -0.000 0.000 0.263 21 T C 1.930 176.612 174.700 -0.030 0.000 1.055 21 T CA 1.253 63.311 62.100 -0.069 0.000 1.162 21 T CB -0.428 68.433 68.868 -0.013 0.000 0.863 21 T HN 0.157 nan 8.240 nan 0.000 0.414 22 F N 2.034 121.849 119.950 -0.224 0.000 2.085 22 F HA -0.279 4.248 4.527 -0.000 0.000 0.299 22 F C 2.397 178.084 175.800 -0.188 0.000 1.096 22 F CA 1.775 59.631 58.000 -0.240 0.000 1.227 22 F CB -0.610 38.176 39.000 -0.356 0.000 0.983 22 F HN 0.322 nan 8.300 nan 0.000 0.482 23 H N -1.236 117.741 119.070 -0.154 0.000 2.502 23 H HA 0.080 4.636 4.556 -0.000 0.000 0.283 23 H C 2.493 177.754 175.328 -0.113 0.000 1.015 23 H CA 1.081 56.982 56.048 -0.245 0.000 1.298 23 H CB -0.377 29.229 29.762 -0.261 0.000 1.411 23 H HN 0.254 nan 8.280 nan 0.000 0.556 24 S N 0.186 115.924 115.700 0.064 0.000 2.362 24 S HA -0.106 4.364 4.470 -0.000 0.000 0.221 24 S C 2.016 176.664 174.600 0.081 0.000 1.032 24 S CA 0.637 58.928 58.200 0.153 0.000 0.973 24 S CB 0.140 63.522 63.200 0.304 0.000 0.849 24 S HN 0.454 nan 8.310 nan 0.000 0.465 25 E N 0.806 121.015 120.200 0.015 0.000 2.169 25 E HA -0.241 4.109 4.350 -0.000 0.000 0.202 25 E C 2.185 178.777 176.600 -0.014 0.000 1.016 25 E CA 1.292 57.683 56.400 -0.015 0.000 0.817 25 E CB 0.032 29.710 29.700 -0.037 0.000 0.736 25 E HN 0.438 nan 8.360 nan 0.000 0.462 26 Q N -0.713 119.059 119.800 -0.046 0.000 2.020 26 Q HA -0.078 4.262 4.340 -0.000 0.000 0.198 26 Q C 2.271 178.289 176.000 0.029 0.000 0.974 26 Q CA 1.203 56.984 55.803 -0.036 0.000 0.829 26 Q CB -0.305 28.376 28.738 -0.096 0.000 0.894 26 Q HN 0.312 nan 8.270 nan 0.000 0.433 27 A N 1.105 123.944 122.820 0.032 0.000 2.019 27 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 27 A C 2.083 179.719 177.584 0.086 0.000 1.164 27 A CA 0.909 52.976 52.037 0.050 0.000 0.644 27 A CB -0.623 18.407 19.000 0.051 0.000 0.805 27 A HN 0.285 nan 8.150 nan 0.000 0.449 28 I N -0.817 119.799 120.570 0.076 0.000 2.439 28 I HA -0.212 3.958 4.170 -0.000 0.000 0.251 28 I C 2.795 178.953 176.117 0.067 0.000 1.139 28 I CA 0.973 62.316 61.300 0.071 0.000 1.438 28 I CB -0.170 37.867 38.000 0.062 0.000 1.085 28 I HN 0.389 nan 8.210 nan 0.000 0.427 29 A N -0.476 122.385 122.820 0.068 0.000 1.975 29 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 29 A C 2.102 179.745 177.584 0.098 0.000 1.170 29 A CA 0.729 52.803 52.037 0.062 0.000 0.656 29 A CB -0.726 18.301 19.000 0.046 0.000 0.821 29 A HN 0.484 nan 8.150 nan 0.000 0.449 30 Y N 0.432 120.730 120.300 -0.004 0.000 2.571 30 Y HA 0.214 4.764 4.550 -0.000 0.000 0.294 30 Y C 1.474 177.372 175.900 -0.002 0.000 1.141 30 Y CA 0.826 58.924 58.100 -0.003 0.000 1.308 30 Y CB -0.067 38.386 38.460 -0.012 0.000 1.002 30 Y HN 0.474 nan 8.280 nan 0.000 0.551 31 G N 0.683 109.573 108.800 0.150 0.000 2.164 31 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.212 31 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.212 31 G C 0.096 175.060 174.900 0.107 0.000 1.031 31 G CA 0.224 45.374 45.100 0.084 0.000 0.730 31 G HN 0.327 nan 8.290 nan 0.000 0.501 32 T N 0.743 115.372 114.554 0.125 0.000 2.913 32 T HA 0.326 4.676 4.350 -0.000 0.000 0.297 32 T C 1.015 175.749 174.700 0.056 0.000 1.029 32 T CA 0.039 62.192 62.100 0.088 0.000 1.104 32 T CB 0.908 69.814 68.868 0.064 0.000 0.964 32 T HN 0.200 nan 8.240 nan 0.000 0.532 33 K N 3.513 123.936 120.400 0.039 0.000 2.715 33 K HA 0.145 4.465 4.320 -0.000 0.000 0.248 33 K C 0.078 176.686 176.600 0.014 0.000 1.276 33 K CA -0.109 56.193 56.287 0.025 0.000 1.209 33 K CB -0.054 32.458 32.500 0.020 0.000 1.509 33 K HN 0.394 nan 8.250 nan 0.000 0.261 34 M N 1.850 121.461 119.600 0.017 0.000 2.217 34 M HA -0.019 4.461 4.480 -0.000 0.000 0.352 34 M C 1.221 177.506 176.300 -0.026 0.000 1.376 34 M CA 0.370 55.667 55.300 -0.006 0.000 1.107 34 M CB 0.913 33.526 32.600 0.022 0.000 1.723 34 M HN 0.140 nan 8.290 nan 0.000 0.461 35 V N 0.716 120.595 119.914 -0.057 0.000 3.528 35 V HA 0.664 4.784 4.120 -0.000 0.000 0.294 35 V C 0.542 176.569 176.094 -0.111 0.000 1.404 35 V CA 0.506 62.776 62.300 -0.050 0.000 1.065 35 V CB -0.077 31.739 31.823 -0.013 0.000 0.904 35 V HN 1.002 nan 8.190 nan 0.000 0.435 36 G N -1.415 107.238 108.800 -0.245 0.000 2.353 36 G HA2 0.509 4.469 3.960 -0.000 0.000 0.308 36 G HA3 0.509 4.469 3.960 -0.000 0.000 0.308 36 G C -0.525 173.946 174.900 -0.715 0.000 1.418 36 G CA -0.055 44.775 45.100 -0.450 0.000 0.966 36 G HN 1.018 nan 8.290 nan 0.000 0.638 37 G N -1.875 106.355 108.800 -0.950 0.000 2.730 37 G HA2 0.869 4.829 3.960 -0.000 0.000 0.289 37 G HA3 0.869 4.829 3.960 -0.000 0.000 0.289 37 G C -1.225 173.535 174.900 -0.233 0.000 1.341 37 G CA -0.250 44.378 45.100 -0.786 0.000 0.932 37 G HN 1.504 nan 8.290 nan 0.000 0.481 38 V N -0.281 119.618 119.914 -0.025 0.000 2.588 38 V HA 0.764 4.884 4.120 -0.000 0.000 0.304 38 V C -0.398 175.747 176.094 0.085 0.000 1.042 38 V CA -0.637 61.701 62.300 0.063 0.000 0.877 38 V CB 1.738 33.610 31.823 0.082 0.000 0.996 38 V HN 0.763 nan 8.190 nan 0.000 0.425 39 T N 5.594 120.189 114.554 0.068 0.000 3.348 39 T HA 0.359 4.709 4.350 -0.000 0.000 0.328 39 T C -2.915 171.797 174.700 0.021 0.000 0.913 39 T CA -0.947 61.173 62.100 0.032 0.000 1.043 39 T CB 1.887 70.760 68.868 0.007 0.000 1.021 39 T HN 0.425 nan 8.240 nan 0.000 0.461 40 P HA 0.237 nan 4.420 nan 0.000 0.260 40 P C 1.077 178.377 177.300 -0.000 0.000 1.172 40 P CA 1.167 64.273 63.100 0.010 0.000 0.760 40 P CB 0.197 31.896 31.700 -0.001 0.000 0.773 41 G N 2.850 111.658 108.800 0.013 0.000 2.175 41 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 41 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 41 G C 0.672 175.576 174.900 0.007 0.000 0.982 41 G CA -0.035 45.069 45.100 0.007 0.000 0.641 41 G HN 0.549 nan 8.290 nan 0.000 0.527 42 K N 0.355 120.763 120.400 0.013 0.000 2.469 42 K HA 0.352 4.672 4.320 -0.000 0.000 0.204 42 K C 1.313 177.934 176.600 0.034 0.000 1.047 42 K CA 0.120 56.412 56.287 0.009 0.000 1.072 42 K CB 0.997 33.486 32.500 -0.019 0.000 0.863 42 K HN 0.384 nan 8.250 nan 0.000 0.530 43 G N -0.008 108.830 108.800 0.063 0.000 2.491 43 G HA2 0.328 4.288 3.960 -0.000 0.000 0.238 43 G HA3 0.328 4.288 3.960 -0.000 0.000 0.238 43 G C 0.808 175.768 174.900 0.100 0.000 1.277 43 G CA 0.623 45.790 45.100 0.112 0.000 0.851 43 G HN 0.316 nan 8.290 nan 0.000 0.573 44 G N 0.139 109.014 108.800 0.126 0.000 2.131 44 G HA2 0.073 4.033 3.960 -0.000 0.000 0.201 44 G HA3 0.073 4.033 3.960 -0.000 0.000 0.201 44 G C 0.361 175.299 174.900 0.062 0.000 1.000 44 G CA 0.890 46.051 45.100 0.101 0.000 0.680 44 G HN 1.889 nan 8.290 nan 0.000 0.514 45 T N -2.495 112.085 114.554 0.044 0.000 2.831 45 T HA 0.851 5.201 4.350 -0.000 0.000 0.287 45 T C -0.178 174.541 174.700 0.032 0.000 1.070 45 T CA 0.256 62.377 62.100 0.035 0.000 1.010 45 T CB 2.271 71.155 68.868 0.028 0.000 1.264 45 T HN 1.115 nan 8.240 nan 0.000 0.532 46 T N -0.954 113.633 114.554 0.054 0.000 2.863 46 T HA 0.616 4.966 4.350 -0.000 0.000 0.285 46 T C -0.023 174.767 174.700 0.150 0.000 1.009 46 T CA -0.565 61.584 62.100 0.082 0.000 0.989 46 T CB 2.078 70.979 68.868 0.055 0.000 1.004 46 T HN 0.884 nan 8.240 nan 0.000 0.455 47 H N 1.826 120.936 119.070 0.066 0.000 2.398 47 H HA 0.462 5.018 4.556 0.000 0.000 0.279 47 H C 0.441 175.745 175.328 -0.040 0.000 1.114 47 H CA 0.175 56.208 56.048 -0.026 0.000 1.609 47 H CB 0.011 29.673 29.762 -0.167 0.000 1.460 47 H HN 0.467 nan 8.280 nan 0.000 0.608 48 L N 1.291 122.440 121.223 -0.123 0.000 3.029 48 L HA 0.288 4.628 4.340 -0.000 0.000 0.231 48 L C 0.819 177.693 176.870 0.005 0.000 1.327 48 L CA 0.304 55.043 54.840 -0.169 0.000 1.166 48 L CB 0.371 42.337 42.059 -0.154 0.000 1.532 48 L HN 0.853 nan 8.230 nan 0.000 0.473 49 G N 0.053 108.865 108.800 0.019 0.000 2.212 49 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.266 49 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.266 49 G C 0.238 175.173 174.900 0.057 0.000 0.978 49 G CA 0.106 45.226 45.100 0.033 0.000 0.632 49 G HN 0.335 nan 8.290 nan 0.000 0.537 50 L N 1.742 123.031 121.223 0.111 0.000 2.400 50 L HA 0.584 4.924 4.340 -0.000 0.000 0.264 50 L C -1.743 175.146 176.870 0.033 0.000 1.061 50 L CA -2.408 52.471 54.840 0.065 0.000 0.799 50 L CB 1.572 43.667 42.059 0.060 0.000 1.240 50 L HN -0.051 nan 8.230 nan 0.000 0.461 51 P HA 0.184 nan 4.420 nan 0.000 0.290 51 P C -1.053 175.911 177.300 -0.560 0.000 1.276 51 P CA -0.285 62.652 63.100 -0.272 0.000 0.808 51 P CB 1.971 33.504 31.700 -0.279 0.000 0.966 52 V N 4.941 124.620 119.914 -0.391 0.000 2.435 52 V HA 0.369 4.489 4.120 -0.000 0.000 0.290 52 V C -0.073 175.829 176.094 -0.320 0.000 1.030 52 V CA -0.183 61.922 62.300 -0.325 0.000 0.881 52 V CB 0.433 32.254 31.823 -0.003 0.000 0.983 52 V HN 0.381 nan 8.190 nan 0.000 0.445 53 F N 2.794 122.759 119.950 0.025 0.000 2.541 53 F HA 0.548 5.075 4.527 -0.000 0.000 0.331 53 F C 1.290 177.097 175.800 0.011 0.000 1.057 53 F CA -1.289 56.718 58.000 0.012 0.000 0.975 53 F CB 1.050 40.047 39.000 -0.004 0.000 1.246 53 F HN 0.319 nan 8.300 nan 0.000 0.484 54 N N -0.443 118.398 118.700 0.235 0.000 2.173 54 N HA -0.031 4.709 4.740 -0.000 0.000 0.184 54 N C 0.316 175.882 175.510 0.093 0.000 1.025 54 N CA 1.206 54.326 53.050 0.117 0.000 0.852 54 N CB -0.021 38.512 38.487 0.076 0.000 0.998 54 N HN 0.717 nan 8.380 nan 0.000 0.427 55 T N -2.645 111.958 114.554 0.083 0.000 2.924 55 T HA 0.417 4.767 4.350 -0.000 0.000 0.291 55 T C 1.341 176.075 174.700 0.056 0.000 1.045 55 T CA -0.776 61.355 62.100 0.050 0.000 1.015 55 T CB 2.054 70.930 68.868 0.013 0.000 1.103 55 T HN -0.247 nan 8.240 nan 0.000 0.496 56 V N 0.735 120.674 119.914 0.041 0.000 2.759 56 V HA -0.062 4.058 4.120 -0.000 0.000 0.256 56 V C 2.804 178.904 176.094 0.009 0.000 1.080 56 V CA 1.559 63.882 62.300 0.040 0.000 1.101 56 V CB -0.931 30.907 31.823 0.026 0.000 0.698 56 V HN 0.850 nan 8.190 nan 0.000 0.477 57 R N -0.005 120.484 120.500 -0.018 0.000 2.062 57 R HA -0.087 4.253 4.340 -0.000 0.000 0.226 57 R C 2.341 178.577 176.300 -0.107 0.000 1.125 57 R CA 1.215 57.286 56.100 -0.048 0.000 0.966 57 R CB -0.102 30.172 30.300 -0.042 0.000 0.861 57 R HN 0.568 nan 8.270 nan 0.000 0.433 58 E N 0.008 120.118 120.200 -0.150 0.000 2.171 58 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 58 E C 1.812 178.081 176.600 -0.552 0.000 0.997 58 E CA 1.241 57.445 56.400 -0.327 0.000 0.810 58 E CB -0.073 29.414 29.700 -0.356 0.000 0.738 58 E HN 0.407 nan 8.360 nan 0.000 0.467 59 A N 1.025 123.666 122.820 -0.299 0.000 1.840 59 A HA -0.114 4.206 4.320 -0.000 0.000 0.214 59 A C 2.486 180.056 177.584 -0.023 0.000 1.198 59 A CA 1.084 53.098 52.037 -0.039 0.000 0.608 59 A CB -0.719 18.486 19.000 0.340 0.000 0.839 59 A HN 0.119 nan 8.150 nan 0.000 0.443 60 V N 0.126 120.029 119.914 -0.019 0.000 2.828 60 V HA -0.221 3.898 4.120 -0.000 0.000 0.260 60 V C 2.653 178.722 176.094 -0.043 0.000 1.101 60 V CA 1.695 63.985 62.300 -0.016 0.000 1.123 60 V CB -1.465 30.348 31.823 -0.017 0.000 0.704 60 V HN 0.644 nan 8.190 nan 0.000 0.493 61 A N 0.398 123.162 122.820 -0.094 0.000 1.849 61 A HA 0.210 4.530 4.320 -0.000 0.000 0.214 61 A C 2.395 179.928 177.584 -0.085 0.000 1.269 61 A CA 1.102 53.083 52.037 -0.093 0.000 0.605 61 A CB -1.091 17.834 19.000 -0.125 0.000 0.937 61 A HN 0.527 nan 8.150 nan 0.000 0.461 62 A N -0.700 122.029 122.820 -0.151 0.000 2.194 62 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 62 A C 2.070 179.673 177.584 0.032 0.000 1.162 62 A CA 2.740 54.725 52.037 -0.086 0.000 0.674 62 A CB -0.906 17.979 19.000 -0.193 0.000 0.789 62 A HN 0.967 nan 8.150 nan 0.000 0.470 63 T N -6.903 107.680 114.554 0.048 0.000 2.980 63 T HA 0.416 4.766 4.350 -0.000 0.000 0.252 63 T C 1.390 176.110 174.700 0.033 0.000 0.962 63 T CA 1.069 63.212 62.100 0.071 0.000 0.932 63 T CB -0.013 68.924 68.868 0.115 0.000 1.188 63 T HN 1.775 nan 8.240 nan 0.000 0.500 64 G N 2.067 110.877 108.800 0.016 0.000 2.176 64 G HA2 0.014 3.974 3.960 -0.000 0.000 0.252 64 G HA3 0.014 3.974 3.960 -0.000 0.000 0.252 64 G C 0.339 175.244 174.900 0.007 0.000 1.024 64 G CA 0.140 45.243 45.100 0.006 0.000 0.755 64 G HN 1.280 nan 8.290 nan 0.000 0.507 65 A N -0.421 122.406 122.820 0.013 0.000 2.425 65 A HA 0.719 5.039 4.320 -0.000 0.000 0.242 65 A C 1.473 179.056 177.584 -0.001 0.000 1.077 65 A CA 1.411 53.452 52.037 0.007 0.000 0.781 65 A CB 0.418 19.424 19.000 0.010 0.000 1.020 65 A HN 1.678 nan 8.150 nan 0.000 0.494 66 T N -2.182 112.368 114.554 -0.006 0.000 3.043 66 T HA 0.584 4.934 4.350 -0.000 0.000 0.272 66 T C 0.152 174.842 174.700 -0.016 0.000 0.990 66 T CA 0.587 62.681 62.100 -0.011 0.000 0.897 66 T CB -0.135 68.726 68.868 -0.011 0.000 1.111 66 T HN 1.663 nan 8.240 nan 0.000 0.529 67 A N 0.539 123.349 122.820 -0.017 0.000 2.475 67 A HA 0.837 5.157 4.320 -0.000 0.000 0.301 67 A C -0.637 176.932 177.584 -0.024 0.000 1.059 67 A CA -0.741 51.281 52.037 -0.024 0.000 0.710 67 A CB 2.043 21.027 19.000 -0.026 0.000 1.288 67 A HN 0.277 nan 8.150 nan 0.000 0.408 68 S N 0.216 115.898 115.700 -0.030 0.000 2.536 68 S HA 0.644 5.114 4.470 -0.000 0.000 0.287 68 S C -1.467 173.104 174.600 -0.048 0.000 1.101 68 S CA -0.406 57.776 58.200 -0.030 0.000 0.950 68 S CB 1.549 64.736 63.200 -0.021 0.000 1.056 68 S HN 1.859 nan 8.310 nan 0.000 0.481 69 V N 6.520 126.405 119.914 -0.048 0.000 2.459 69 V HA 0.657 4.777 4.120 -0.000 0.000 0.295 69 V C -1.013 174.998 176.094 -0.139 0.000 1.029 69 V CA -0.717 61.517 62.300 -0.111 0.000 0.874 69 V CB 1.130 32.908 31.823 -0.075 0.000 0.985 69 V HN 0.865 nan 8.190 nan 0.000 0.438 70 I N 7.299 127.726 120.570 -0.238 0.000 2.354 70 I HA 0.391 4.561 4.170 -0.000 0.000 0.292 70 I C -1.149 174.764 176.117 -0.339 0.000 0.989 70 I CA -0.420 60.771 61.300 -0.182 0.000 1.188 70 I CB 1.521 39.467 38.000 -0.090 0.000 1.342 70 I HN 0.604 nan 8.210 nan 0.000 0.457 71 Y N 5.478 125.825 120.300 0.078 0.000 2.525 71 Y HA 0.438 4.988 4.550 -0.000 0.000 0.365 71 Y C -0.213 175.730 175.900 0.072 0.000 0.929 71 Y CA -0.433 57.722 58.100 0.091 0.000 1.196 71 Y CB 0.941 39.475 38.460 0.124 0.000 1.232 71 Y HN 0.238 nan 8.280 nan 0.000 0.613 72 V N 2.172 122.169 119.914 0.137 0.000 2.555 72 V HA 0.461 4.581 4.120 -0.000 0.000 0.302 72 V C -2.192 173.984 176.094 0.136 0.000 1.038 72 V CA -2.764 59.605 62.300 0.116 0.000 0.887 72 V CB 2.354 34.230 31.823 0.087 0.000 0.991 72 V HN 0.182 nan 8.190 nan 0.000 0.434 73 P HA -0.016 nan 4.420 nan 0.000 0.263 73 P C 0.651 178.096 177.300 0.242 0.000 1.175 73 P CA 0.593 63.819 63.100 0.209 0.000 0.761 73 P CB 0.550 32.411 31.700 0.268 0.000 0.794 74 A N 6.524 129.433 122.820 0.148 0.000 1.896 74 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 74 A C -0.326 177.285 177.584 0.044 0.000 1.206 74 A CA 2.186 54.273 52.037 0.083 0.000 0.647 74 A CB -2.632 16.393 19.000 0.042 0.000 0.828 74 A HN 0.518 nan 8.150 nan 0.000 0.455 75 P HA -0.138 nan 4.420 nan 0.000 0.219 75 P C 0.397 177.399 177.300 -0.498 0.000 1.144 75 P CA 1.213 64.113 63.100 -0.333 0.000 0.806 75 P CB -0.133 31.231 31.700 -0.560 0.000 0.771 76 F N -4.682 115.274 119.950 0.010 0.000 2.746 76 F HA 0.249 4.775 4.527 -0.000 0.000 0.320 76 F C 2.055 177.859 175.800 0.008 0.000 1.097 76 F CA -0.522 57.483 58.000 0.010 0.000 1.195 76 F CB -1.251 37.758 39.000 0.015 0.000 1.056 76 F HN -0.087 nan 8.300 nan 0.000 0.562 77 C N 1.285 120.691 119.300 0.177 0.000 2.413 77 C HA -0.221 4.239 4.460 -0.000 0.000 0.277 77 C C 3.032 178.057 174.990 0.058 0.000 1.228 77 C CA 1.896 60.974 59.018 0.101 0.000 1.731 77 C CB -0.722 27.056 27.740 0.063 0.000 2.042 77 C HN 0.592 nan 8.230 nan 0.000 0.468 78 K N 0.274 120.693 120.400 0.032 0.000 2.113 78 K HA -0.262 4.057 4.320 -0.000 0.000 0.208 78 K C 1.581 178.195 176.600 0.025 0.000 1.047 78 K CA 2.483 58.778 56.287 0.013 0.000 0.928 78 K CB -0.493 32.004 32.500 -0.006 0.000 0.716 78 K HN 0.602 nan 8.250 nan 0.000 0.446 79 D N -0.296 120.133 120.400 0.049 0.000 2.178 79 D HA -0.110 4.530 4.640 -0.000 0.000 0.202 79 D C 1.715 178.047 176.300 0.054 0.000 0.974 79 D CA 1.626 55.660 54.000 0.056 0.000 0.841 79 D CB 0.128 40.984 40.800 0.093 0.000 0.953 79 D HN 0.372 nan 8.370 nan 0.000 0.478 80 S N -0.886 114.851 115.700 0.061 0.000 2.470 80 S HA 0.064 4.534 4.470 -0.000 0.000 0.222 80 S C 2.175 176.788 174.600 0.022 0.000 1.024 80 S CA -0.153 58.074 58.200 0.044 0.000 0.931 80 S CB -0.414 62.817 63.200 0.052 0.000 0.791 80 S HN 0.275 nan 8.310 nan 0.000 0.513 81 I N 1.510 122.089 120.570 0.015 0.000 2.264 81 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 81 I C 2.343 178.458 176.117 -0.004 0.000 1.111 81 I CA 1.240 62.538 61.300 -0.003 0.000 1.382 81 I CB -0.362 37.632 38.000 -0.011 0.000 1.060 81 I HN 0.264 nan 8.210 nan 0.000 0.418 82 L N 0.349 121.574 121.223 0.003 0.000 2.027 82 L HA -0.226 4.114 4.340 -0.000 0.000 0.206 82 L C 2.643 179.515 176.870 0.003 0.000 1.074 82 L CA 1.539 56.380 54.840 0.000 0.000 0.745 82 L CB -0.497 41.564 42.059 0.003 0.000 0.898 82 L HN 0.254 nan 8.230 nan 0.000 0.433 83 E N 0.142 120.349 120.200 0.011 0.000 2.118 83 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 83 E C 2.107 178.710 176.600 0.005 0.000 0.992 83 E CA 1.215 57.622 56.400 0.011 0.000 0.804 83 E CB -0.008 29.704 29.700 0.020 0.000 0.741 83 E HN 0.474 nan 8.360 nan 0.000 0.458 84 A N 1.629 124.451 122.820 0.003 0.000 1.834 84 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 84 A C 2.213 179.793 177.584 -0.008 0.000 1.203 84 A CA 1.903 53.938 52.037 -0.003 0.000 0.621 84 A CB -1.012 17.983 19.000 -0.008 0.000 0.841 84 A HN 0.389 nan 8.150 nan 0.000 0.446 85 I N -0.127 120.436 120.570 -0.012 0.000 2.147 85 I HA -0.370 3.800 4.170 -0.000 0.000 0.245 85 I C 2.317 178.426 176.117 -0.012 0.000 1.059 85 I CA 2.103 63.394 61.300 -0.014 0.000 1.320 85 I CB -0.656 37.335 38.000 -0.016 0.000 1.021 85 I HN 0.442 nan 8.210 nan 0.000 0.415 86 D N 0.981 121.375 120.400 -0.009 0.000 2.178 86 D HA -0.108 4.532 4.640 -0.000 0.000 0.202 86 D C 1.908 178.202 176.300 -0.011 0.000 0.974 86 D CA 1.375 55.370 54.000 -0.009 0.000 0.841 86 D CB 0.212 41.008 40.800 -0.006 0.000 0.953 86 D HN 0.384 nan 8.370 nan 0.000 0.478 87 A N -0.195 122.619 122.820 -0.010 0.000 2.276 87 A HA 0.385 4.705 4.320 -0.000 0.000 0.212 87 A C 1.287 178.862 177.584 -0.014 0.000 1.230 87 A CA 0.816 52.845 52.037 -0.013 0.000 0.844 87 A CB -0.416 18.577 19.000 -0.012 0.000 0.860 87 A HN 0.267 nan 8.150 nan 0.000 0.486 88 G N 0.122 108.914 108.800 -0.014 0.000 2.359 88 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.298 88 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.298 88 G C -0.110 174.781 174.900 -0.015 0.000 1.030 88 G CA 0.220 45.311 45.100 -0.015 0.000 1.149 88 G HN 0.333 nan 8.290 nan 0.000 0.512 89 I N -0.640 119.921 120.570 -0.015 0.000 2.577 89 I HA 0.382 4.552 4.170 -0.000 0.000 0.300 89 I C 1.096 177.200 176.117 -0.021 0.000 0.990 89 I CA -0.449 60.841 61.300 -0.016 0.000 1.283 89 I CB 1.821 39.811 38.000 -0.016 0.000 1.411 89 I HN 0.153 nan 8.210 nan 0.000 0.515 90 K N 2.999 123.386 120.400 -0.022 0.000 2.373 90 K HA 0.291 4.611 4.320 -0.000 0.000 0.200 90 K C -0.758 175.822 176.600 -0.032 0.000 1.054 90 K CA 0.097 56.369 56.287 -0.026 0.000 1.065 90 K CB 0.266 32.752 32.500 -0.023 0.000 0.886 90 K HN 0.348 nan 8.250 nan 0.000 0.546 91 L N 1.136 122.339 121.223 -0.034 0.000 2.441 91 L HA 0.536 4.876 4.340 -0.000 0.000 0.270 91 L C -1.664 175.179 176.870 -0.045 0.000 0.973 91 L CA -0.521 54.294 54.840 -0.042 0.000 0.842 91 L CB 1.312 43.346 42.059 -0.042 0.000 1.239 91 L HN -0.055 nan 8.230 nan 0.000 0.406 92 I N 5.924 126.463 120.570 -0.052 0.000 2.406 92 I HA 0.480 4.650 4.170 -0.000 0.000 0.290 92 I C -0.802 175.270 176.117 -0.074 0.000 0.999 92 I CA -0.653 60.612 61.300 -0.058 0.000 1.124 92 I CB 1.840 39.809 38.000 -0.052 0.000 1.289 92 I HN 0.370 nan 8.210 nan 0.000 0.441 93 I N 5.316 125.833 120.570 -0.088 0.000 2.410 93 I HA 0.291 4.461 4.170 -0.000 0.000 0.286 93 I C -0.249 175.778 176.117 -0.149 0.000 1.009 93 I CA -0.461 60.771 61.300 -0.112 0.000 1.111 93 I CB 1.548 39.478 38.000 -0.116 0.000 1.262 93 I HN 0.487 nan 8.210 nan 0.000 0.443 94 T N 5.554 120.026 114.554 -0.138 0.000 2.788 94 T HA 0.448 4.798 4.350 -0.000 0.000 0.296 94 T C 1.428 176.036 174.700 -0.154 0.000 1.009 94 T CA -0.515 61.496 62.100 -0.149 0.000 0.949 94 T CB 1.850 70.662 68.868 -0.093 0.000 0.946 94 T HN 0.205 nan 8.240 nan 0.000 0.453 95 I N 1.211 121.647 120.570 -0.225 0.000 2.277 95 I HA -0.036 4.134 4.170 -0.000 0.000 0.243 95 I C 1.568 177.663 176.117 -0.036 0.000 1.094 95 I CA 0.626 61.840 61.300 -0.143 0.000 1.393 95 I CB -1.542 36.347 38.000 -0.184 0.000 1.078 95 I HN 0.564 nan 8.210 nan 0.000 0.417 96 T N 3.425 117.969 114.554 -0.016 0.000 2.746 96 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 96 T C 0.507 175.221 174.700 0.024 0.000 1.022 96 T CA 0.806 62.928 62.100 0.037 0.000 1.144 96 T CB 0.368 69.256 68.868 0.034 0.000 1.061 96 T HN 0.295 nan 8.240 nan 0.000 0.470 97 E N 1.054 121.281 120.200 0.044 0.000 2.238 97 E HA 0.480 4.830 4.350 -0.000 0.000 0.267 97 E C 0.535 177.153 176.600 0.030 0.000 0.887 97 E CA -0.076 56.342 56.400 0.029 0.000 0.769 97 E CB 1.498 31.225 29.700 0.044 0.000 1.187 97 E HN 0.916 nan 8.360 nan 0.000 0.416 98 G N 4.202 113.011 108.800 0.014 0.000 2.135 98 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.183 98 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.183 98 G C 0.167 175.069 174.900 0.004 0.000 1.004 98 G CA -0.002 45.106 45.100 0.013 0.000 0.677 98 G HN 0.491 nan 8.290 nan 0.000 0.512 99 I N 1.745 122.312 120.570 -0.004 0.000 2.452 99 I HA 0.188 4.358 4.170 -0.000 0.000 0.287 99 I C -1.468 174.637 176.117 -0.020 0.000 1.079 99 I CA -1.767 59.526 61.300 -0.011 0.000 1.387 99 I CB 0.737 38.728 38.000 -0.015 0.000 1.404 99 I HN -0.102 nan 8.210 nan 0.000 0.522 100 P HA -0.063 nan 4.420 nan 0.000 0.261 100 P C 0.813 178.096 177.300 -0.027 0.000 1.165 100 P CA 0.438 63.523 63.100 -0.026 0.000 0.759 100 P CB 0.434 32.114 31.700 -0.033 0.000 0.772 101 T N 2.787 117.325 114.554 -0.026 0.000 2.699 101 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 101 T C 1.646 176.329 174.700 -0.029 0.000 1.036 101 T CA 1.289 63.372 62.100 -0.028 0.000 1.147 101 T CB -0.496 68.356 68.868 -0.026 0.000 0.862 101 T HN 0.360 nan 8.240 nan 0.000 0.446 102 L N 0.638 121.845 121.223 -0.027 0.000 2.362 102 L HA -0.092 4.248 4.340 -0.000 0.000 0.219 102 L C 2.237 179.091 176.870 -0.027 0.000 1.134 102 L CA 0.825 55.650 54.840 -0.026 0.000 0.807 102 L CB -0.469 41.575 42.059 -0.024 0.000 0.927 102 L HN 0.170 nan 8.230 nan 0.000 0.447 103 D N -0.518 119.865 120.400 -0.029 0.000 2.103 103 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 103 D C 2.257 178.539 176.300 -0.029 0.000 0.978 103 D CA 0.977 54.960 54.000 -0.028 0.000 0.829 103 D CB 0.050 40.832 40.800 -0.029 0.000 0.981 103 D HN 0.057 nan 8.370 nan 0.000 0.464 104 M N 0.387 119.968 119.600 -0.032 0.000 2.117 104 M HA -0.072 4.408 4.480 -0.000 0.000 0.262 104 M C 2.317 178.595 176.300 -0.037 0.000 1.065 104 M CA 0.782 56.059 55.300 -0.037 0.000 1.114 104 M CB -0.988 31.585 32.600 -0.044 0.000 1.361 104 M HN 0.086 nan 8.290 nan 0.000 0.408 105 L N -0.311 120.891 121.223 -0.035 0.000 2.021 105 L HA -0.289 4.051 4.340 -0.000 0.000 0.215 105 L C 2.157 179.009 176.870 -0.030 0.000 1.074 105 L CA 1.722 56.542 54.840 -0.033 0.000 0.760 105 L CB -0.479 41.562 42.059 -0.030 0.000 0.889 105 L HN 0.274 nan 8.230 nan 0.000 0.433 106 T N -1.266 113.271 114.554 -0.028 0.000 2.737 106 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 106 T C 1.869 176.554 174.700 -0.026 0.000 1.038 106 T CA 1.396 63.481 62.100 -0.025 0.000 1.144 106 T CB -0.181 68.674 68.868 -0.022 0.000 0.866 106 T HN 0.173 nan 8.240 nan 0.000 0.434 107 V N 1.756 121.654 119.914 -0.027 0.000 2.332 107 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 107 V C 2.539 178.613 176.094 -0.033 0.000 1.055 107 V CA 1.884 64.167 62.300 -0.028 0.000 1.038 107 V CB -0.486 31.320 31.823 -0.029 0.000 0.651 107 V HN 0.358 nan 8.190 nan 0.000 0.450 108 K N 0.380 120.757 120.400 -0.038 0.000 2.009 108 K HA -0.165 4.155 4.320 -0.000 0.000 0.210 108 K C 1.875 178.452 176.600 -0.038 0.000 1.049 108 K CA 2.153 58.414 56.287 -0.043 0.000 0.929 108 K CB -1.027 31.444 32.500 -0.048 0.000 0.714 108 K HN 0.248 nan 8.250 nan 0.000 0.440 109 V N 1.136 121.030 119.914 -0.033 0.000 2.317 109 V HA -0.291 3.829 4.120 -0.000 0.000 0.251 109 V C 2.428 178.506 176.094 -0.027 0.000 1.065 109 V CA 2.320 64.602 62.300 -0.029 0.000 1.049 109 V CB -0.589 31.219 31.823 -0.025 0.000 0.651 109 V HN 0.399 nan 8.190 nan 0.000 0.450 110 K N 0.081 120.465 120.400 -0.026 0.000 2.062 110 K HA -0.039 4.281 4.320 -0.000 0.000 0.205 110 K C 1.888 178.472 176.600 -0.027 0.000 1.051 110 K CA 1.356 57.629 56.287 -0.024 0.000 0.941 110 K CB -0.541 31.947 32.500 -0.021 0.000 0.719 110 K HN 0.408 nan 8.250 nan 0.000 0.440 111 L N 0.649 121.854 121.223 -0.031 0.000 2.127 111 L HA -0.246 4.094 4.340 -0.000 0.000 0.211 111 L C 1.534 178.382 176.870 -0.037 0.000 1.089 111 L CA 1.431 56.250 54.840 -0.036 0.000 0.757 111 L CB -0.422 41.611 42.059 -0.043 0.000 0.899 111 L HN 0.263 nan 8.230 nan 0.000 0.434 112 D N -0.534 119.844 120.400 -0.036 0.000 2.113 112 D HA -0.187 4.453 4.640 -0.000 0.000 0.206 112 D C 1.929 178.212 176.300 -0.029 0.000 0.979 112 D CA 0.926 54.904 54.000 -0.036 0.000 0.862 112 D CB -0.270 40.507 40.800 -0.037 0.000 1.013 112 D HN 0.225 nan 8.370 nan 0.000 0.455 113 E N 0.472 120.656 120.200 -0.026 0.000 2.236 113 E HA -0.259 4.091 4.350 -0.000 0.000 0.205 113 E C 1.286 177.874 176.600 -0.020 0.000 1.028 113 E CA 1.436 57.823 56.400 -0.022 0.000 0.827 113 E CB -0.025 29.663 29.700 -0.019 0.000 0.735 113 E HN 0.192 nan 8.360 nan 0.000 0.470 114 A N -0.441 122.365 122.820 -0.022 0.000 2.308 114 A HA 0.345 4.665 4.320 -0.000 0.000 0.217 114 A C 1.537 179.108 177.584 -0.022 0.000 1.216 114 A CA 0.800 52.825 52.037 -0.020 0.000 0.864 114 A CB 0.044 19.032 19.000 -0.020 0.000 0.902 114 A HN 0.461 nan 8.150 nan 0.000 0.499 115 G N -0.793 107.992 108.800 -0.025 0.000 2.160 115 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.251 115 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.251 115 G C 0.152 175.034 174.900 -0.030 0.000 1.008 115 G CA 0.337 45.421 45.100 -0.027 0.000 0.724 115 G HN 0.747 nan 8.290 nan 0.000 0.514 116 V N -0.549 119.346 119.914 -0.032 0.000 2.837 116 V HA 0.747 4.867 4.120 -0.000 0.000 0.310 116 V C 0.726 176.794 176.094 -0.043 0.000 1.059 116 V CA -0.728 61.551 62.300 -0.035 0.000 1.004 116 V CB 1.813 33.617 31.823 -0.032 0.000 1.045 116 V HN 0.463 nan 8.190 nan 0.000 0.465 117 R N 2.658 123.130 120.500 -0.047 0.000 2.437 117 R HA 0.666 5.006 4.340 -0.000 0.000 0.310 117 R C -0.885 175.379 176.300 -0.060 0.000 0.955 117 R CA -0.289 55.777 56.100 -0.057 0.000 0.851 117 R CB 1.250 31.514 30.300 -0.060 0.000 1.161 117 R HN 0.805 nan 8.270 nan 0.000 0.446 118 M N 5.552 125.111 119.600 -0.067 0.000 2.465 118 M HA 0.493 4.973 4.480 -0.000 0.000 0.316 118 M C -1.418 174.832 176.300 -0.084 0.000 1.121 118 M CA -0.919 54.339 55.300 -0.072 0.000 0.934 118 M CB 1.468 34.027 32.600 -0.067 0.000 1.692 118 M HN 0.503 nan 8.290 nan 0.000 0.444 119 I N 3.795 124.313 120.570 -0.088 0.000 2.389 119 I HA 0.773 4.943 4.170 -0.000 0.000 0.288 119 I C 0.492 176.549 176.117 -0.099 0.000 0.999 119 I CA 0.033 61.275 61.300 -0.096 0.000 1.129 119 I CB 0.557 38.503 38.000 -0.090 0.000 1.288 119 I HN 0.968 nan 8.210 nan 0.000 0.444 120 G N 8.819 117.554 108.800 -0.107 0.000 2.306 120 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.262 120 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.262 120 G C -3.296 171.540 174.900 -0.107 0.000 1.263 120 G CA -0.679 44.357 45.100 -0.108 0.000 1.088 120 G HN 0.393 nan 8.290 nan 0.000 0.489 121 P HA 0.427 nan 4.420 nan 0.000 0.306 121 P C -0.164 177.082 177.300 -0.090 0.000 1.309 121 P CA 0.061 63.110 63.100 -0.084 0.000 0.759 121 P CB 0.780 32.441 31.700 -0.064 0.000 1.314 122 N N -1.370 117.289 118.700 -0.068 0.000 2.556 122 N HA -0.139 4.601 4.740 -0.000 0.000 0.276 122 N C -0.911 174.556 175.510 -0.071 0.000 1.259 122 N CA 0.439 53.452 53.050 -0.063 0.000 0.654 122 N CB -2.229 36.202 38.487 -0.094 0.000 0.889 122 N HN 0.625 nan 8.380 nan 0.000 0.547 123 C N 0.220 119.504 119.300 -0.026 0.000 3.514 123 C HA -0.144 4.316 4.460 -0.000 0.000 0.286 123 C C -0.642 174.330 174.990 -0.031 0.000 1.302 123 C CA 0.034 59.049 59.018 -0.004 0.000 2.239 123 C CB -2.104 25.654 27.740 0.030 0.000 1.429 123 C HN 0.675 nan 8.230 nan 0.000 0.565 124 P HA 0.688 nan 4.420 nan 0.000 0.315 124 P C 0.260 177.546 177.300 -0.025 0.000 1.370 124 P CA 1.294 64.363 63.100 -0.051 0.000 0.854 124 P CB 0.933 32.586 31.700 -0.078 0.000 2.140 125 G N -2.073 106.705 108.800 -0.037 0.000 2.312 125 G HA2 0.345 4.305 3.960 -0.000 0.000 0.322 125 G HA3 0.345 4.305 3.960 -0.000 0.000 0.322 125 G C -2.080 172.803 174.900 -0.028 0.000 1.645 125 G CA -0.568 44.514 45.100 -0.030 0.000 0.919 125 G HN 0.344 nan 8.290 nan 0.000 0.699 126 V N 3.166 123.048 119.914 -0.054 0.000 2.668 126 V HA 0.784 4.904 4.120 -0.000 0.000 0.304 126 V C -0.328 175.709 176.094 -0.095 0.000 1.071 126 V CA -0.652 61.615 62.300 -0.055 0.000 0.894 126 V CB 1.794 33.583 31.823 -0.057 0.000 1.008 126 V HN 0.948 nan 8.190 nan 0.000 0.425 127 I N 4.115 124.622 120.570 -0.104 0.000 2.607 127 I HA 0.600 4.770 4.170 -0.000 0.000 0.290 127 I C -0.646 175.401 176.117 -0.116 0.000 1.129 127 I CA -0.076 61.111 61.300 -0.188 0.000 1.042 127 I CB 2.547 40.322 38.000 -0.375 0.000 1.242 127 I HN 0.683 nan 8.210 nan 0.000 0.421 128 T N 5.902 120.411 114.554 -0.074 0.000 2.893 128 T HA 0.401 4.751 4.350 -0.000 0.000 0.324 128 T C -2.613 172.112 174.700 0.043 0.000 1.082 128 T CA -1.582 60.523 62.100 0.007 0.000 0.983 128 T CB 0.830 69.719 68.868 0.034 0.000 1.005 128 T HN 0.314 nan 8.240 nan 0.000 0.475 129 P HA 0.103 nan 4.420 nan 0.000 0.257 129 P C 1.303 178.699 177.300 0.161 0.000 1.162 129 P CA 1.492 64.675 63.100 0.138 0.000 0.762 129 P CB 0.040 31.817 31.700 0.128 0.000 0.753 130 G N 3.071 111.999 108.800 0.213 0.000 2.579 130 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.222 130 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.222 130 G C 1.123 176.065 174.900 0.071 0.000 1.201 130 G CA 0.370 45.496 45.100 0.043 0.000 0.710 130 G HN 0.517 nan 8.290 nan 0.000 0.516 131 E N -0.740 119.541 120.200 0.135 0.000 2.024 131 E HA 0.294 4.644 4.350 -0.000 0.000 0.190 131 E C 0.753 177.456 176.600 0.171 0.000 0.974 131 E CA 1.041 57.509 56.400 0.114 0.000 0.810 131 E CB 0.322 30.066 29.700 0.073 0.000 0.775 131 E HN 0.423 nan 8.360 nan 0.000 0.453 132 C N 0.426 119.819 119.300 0.154 0.000 2.797 132 C HA 0.522 4.982 4.460 -0.000 0.000 0.306 132 C C -1.467 173.466 174.990 -0.095 0.000 1.207 132 C CA -0.682 58.383 59.018 0.078 0.000 1.507 132 C CB 1.247 29.002 27.740 0.025 0.000 2.028 132 C HN 0.241 nan 8.230 nan 0.000 0.475 133 K N 4.622 124.926 120.400 -0.159 0.000 2.581 133 K HA 0.692 5.012 4.320 -0.000 0.000 0.249 133 K C -1.949 174.553 176.600 -0.163 0.000 0.966 133 K CA -0.369 55.731 56.287 -0.311 0.000 0.811 133 K CB 1.013 33.079 32.500 -0.723 0.000 1.223 133 K HN 0.749 nan 8.250 nan 0.000 0.438 134 I N 3.629 124.121 120.570 -0.130 0.000 2.497 134 I HA 0.577 4.747 4.170 -0.000 0.000 0.284 134 I C -0.033 176.035 176.117 -0.080 0.000 1.060 134 I CA -0.536 60.726 61.300 -0.064 0.000 1.071 134 I CB 1.923 39.895 38.000 -0.047 0.000 1.216 134 I HN 0.923 nan 8.210 nan 0.000 0.442 135 G N 5.062 113.820 108.800 -0.069 0.000 2.343 135 G HA2 0.170 4.130 3.960 -0.000 0.000 0.289 135 G HA3 0.170 4.130 3.960 -0.000 0.000 0.289 135 G C -0.203 174.565 174.900 -0.219 0.000 1.295 135 G CA -0.479 44.560 45.100 -0.102 0.000 0.869 135 G HN 0.642 nan 8.290 nan 0.000 0.522 136 I N -1.571 118.841 120.570 -0.264 0.000 4.018 136 I HA 0.301 4.471 4.170 -0.000 0.000 0.337 136 I C 0.866 176.922 176.117 -0.102 0.000 1.327 136 I CA -0.115 60.918 61.300 -0.445 0.000 1.100 136 I CB 0.380 38.168 38.000 -0.354 0.000 1.025 136 I HN 0.500 nan 8.210 nan 0.000 0.396 137 Q N 4.079 123.844 119.800 -0.059 0.000 2.443 137 Q HA 0.353 4.693 4.340 -0.000 0.000 0.232 137 Q C -2.535 173.372 176.000 -0.156 0.000 1.026 137 Q CA -1.781 53.962 55.803 -0.100 0.000 0.924 137 Q CB -0.373 28.305 28.738 -0.099 0.000 1.256 137 Q HN 0.146 nan 8.270 nan 0.000 0.519 138 P HA 0.150 nan 4.420 nan 0.000 0.287 138 P C 0.203 177.445 177.300 -0.097 0.000 1.294 138 P CA -0.146 62.869 63.100 -0.142 0.000 0.776 138 P CB 0.791 32.354 31.700 -0.228 0.000 0.889 139 G N 2.607 111.452 108.800 0.076 0.000 2.650 139 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.214 139 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.214 139 G C 1.122 176.231 174.900 0.349 0.000 1.136 139 G CA 0.133 45.370 45.100 0.230 0.000 0.789 139 G HN 0.724 nan 8.290 nan 0.000 0.536 140 H N 0.213 119.393 119.070 0.183 0.000 2.539 140 H HA 0.152 4.708 4.556 -0.000 0.000 0.267 140 H C 1.860 177.228 175.328 0.067 0.000 0.982 140 H CA 0.304 56.425 56.048 0.123 0.000 1.146 140 H CB -0.314 29.488 29.762 0.067 0.000 1.382 140 H HN 0.542 nan 8.280 nan 0.000 0.577 141 I N -1.266 119.102 120.570 -0.338 0.000 3.728 141 I HA 0.191 4.361 4.170 -0.000 0.000 0.307 141 I C -0.129 175.850 176.117 -0.231 0.000 1.276 141 I CA -0.427 60.691 61.300 -0.304 0.000 1.285 141 I CB -0.298 37.436 38.000 -0.442 0.000 1.038 141 I HN -0.054 nan 8.210 nan 0.000 0.445 142 H N 1.885 120.933 119.070 -0.036 0.000 2.488 142 H HA 0.629 5.185 4.556 -0.000 0.000 0.347 142 H C -0.475 174.889 175.328 0.060 0.000 1.174 142 H CA -0.514 55.547 56.048 0.021 0.000 1.307 142 H CB 1.077 30.861 29.762 0.036 0.000 1.517 142 H HN 0.008 nan 8.280 nan 0.000 0.554 143 K N 1.439 121.959 120.400 0.199 0.000 2.565 143 K HA 0.264 4.584 4.320 -0.000 0.000 0.251 143 K C -3.062 173.618 176.600 0.133 0.000 0.956 143 K CA -2.135 54.235 56.287 0.139 0.000 0.809 143 K CB 1.734 34.299 32.500 0.108 0.000 1.267 143 K HN 0.337 nan 8.250 nan 0.000 0.438 144 P HA -0.014 nan 4.420 nan 0.000 0.257 144 P C -0.542 176.813 177.300 0.090 0.000 1.189 144 P CA 0.379 63.536 63.100 0.095 0.000 0.780 144 P CB 0.763 32.506 31.700 0.072 0.000 0.772 145 G N 3.205 112.064 108.800 0.099 0.000 3.214 145 G HA2 0.461 4.421 3.960 -0.000 0.000 0.188 145 G HA3 0.461 4.421 3.960 -0.000 0.000 0.188 145 G C -0.462 174.493 174.900 0.091 0.000 1.126 145 G CA -0.694 44.466 45.100 0.100 0.000 0.796 145 G HN 0.401 nan 8.290 nan 0.000 0.631 146 K N -0.790 119.673 120.400 0.105 0.000 2.564 146 K HA 0.565 4.885 4.320 -0.000 0.000 0.201 146 K C -0.705 175.926 176.600 0.052 0.000 1.086 146 K CA -0.213 56.125 56.287 0.084 0.000 1.062 146 K CB 1.162 33.716 32.500 0.090 0.000 0.849 146 K HN 0.198 nan 8.250 nan 0.000 0.529 147 V N 0.728 120.660 119.914 0.029 0.000 2.628 147 V HA 0.682 4.802 4.120 -0.000 0.000 0.306 147 V C 0.243 176.245 176.094 -0.154 0.000 1.045 147 V CA -0.891 61.367 62.300 -0.070 0.000 0.905 147 V CB 1.744 33.522 31.823 -0.075 0.000 0.997 147 V HN 0.336 nan 8.190 nan 0.000 0.436 148 G N 2.942 111.501 108.800 -0.402 0.000 2.388 148 G HA2 0.798 4.758 3.960 -0.000 0.000 0.330 148 G HA3 0.798 4.758 3.960 -0.000 0.000 0.330 148 G C -1.087 173.561 174.900 -0.419 0.000 1.142 148 G CA -0.560 44.104 45.100 -0.726 0.000 0.908 148 G HN 0.608 nan 8.290 nan 0.000 0.473 149 I N 1.245 121.803 120.570 -0.020 0.000 2.499 149 I HA 0.397 4.567 4.170 -0.000 0.000 0.288 149 I C -0.423 175.864 176.117 0.283 0.000 1.048 149 I CA -1.201 60.161 61.300 0.103 0.000 1.062 149 I CB 2.339 40.395 38.000 0.093 0.000 1.238 149 I HN 0.368 nan 8.210 nan 0.000 0.426 150 V N 1.997 122.076 119.914 0.274 0.000 2.604 150 V HA 0.885 5.005 4.120 -0.000 0.000 0.305 150 V C -0.373 175.914 176.094 0.322 0.000 1.043 150 V CA -0.427 62.071 62.300 0.329 0.000 0.888 150 V CB 1.575 33.664 31.823 0.443 0.000 0.995 150 V HN 0.798 nan 8.190 nan 0.000 0.429 151 S N 2.895 118.764 115.700 0.282 0.000 2.537 151 S HA 0.552 5.022 4.470 -0.000 0.000 0.270 151 S C 0.348 175.030 174.600 0.137 0.000 1.142 151 S CA -0.727 57.623 58.200 0.251 0.000 0.870 151 S CB 2.388 65.688 63.200 0.166 0.000 1.112 151 S HN 0.839 nan 8.310 nan 0.000 0.466 152 R N 1.220 121.798 120.500 0.129 0.000 2.062 152 R HA 0.119 4.459 4.340 -0.000 0.000 0.226 152 R C 0.912 177.237 176.300 0.043 0.000 1.125 152 R CA 0.822 56.920 56.100 -0.003 0.000 0.966 152 R CB -0.397 29.898 30.300 -0.009 0.000 0.861 152 R HN 0.589 nan 8.270 nan 0.000 0.433 153 S N -0.132 115.656 115.700 0.148 0.000 2.548 153 S HA 0.173 4.643 4.470 -0.000 0.000 0.277 153 S C 1.134 175.772 174.600 0.062 0.000 1.315 153 S CA -0.378 57.936 58.200 0.190 0.000 1.050 153 S CB 1.591 64.864 63.200 0.122 0.000 0.918 153 S HN 0.340 nan 8.310 nan 0.000 0.497 154 G N 2.526 111.336 108.800 0.017 0.000 2.456 154 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.213 154 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.213 154 G C 1.504 176.190 174.900 -0.357 0.000 1.215 154 G CA 1.004 46.054 45.100 -0.083 0.000 0.805 154 G HN 0.899 nan 8.290 nan 0.000 0.537 155 T N 0.504 114.752 114.554 -0.509 0.000 2.803 155 T HA -0.045 4.305 4.350 -0.000 0.000 0.269 155 T C 2.384 176.867 174.700 -0.361 0.000 1.052 155 T CA 1.056 62.702 62.100 -0.756 0.000 1.136 155 T CB -0.344 68.284 68.868 -0.400 0.000 0.864 155 T HN 0.134 nan 8.240 nan 0.000 0.467 156 L N 0.651 121.789 121.223 -0.142 0.000 2.191 156 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 156 L C 3.085 179.963 176.870 0.013 0.000 1.103 156 L CA 1.383 56.212 54.840 -0.018 0.000 0.769 156 L CB -1.120 40.983 42.059 0.073 0.000 0.908 156 L HN 0.362 nan 8.230 nan 0.000 0.438 157 T N -1.109 113.457 114.554 0.020 0.000 2.708 157 T HA -0.195 4.155 4.350 -0.000 0.000 0.266 157 T C 1.772 176.592 174.700 0.201 0.000 1.037 157 T CA 1.290 63.465 62.100 0.125 0.000 1.146 157 T CB -0.211 68.769 68.868 0.187 0.000 0.865 157 T HN 0.187 nan 8.240 nan 0.000 0.435 158 Y N 2.009 122.300 120.300 -0.015 0.000 2.139 158 Y HA -0.116 4.434 4.550 -0.000 0.000 0.282 158 Y C 2.584 178.432 175.900 -0.087 0.000 1.179 158 Y CA 0.306 58.364 58.100 -0.070 0.000 1.161 158 Y CB -1.026 37.406 38.460 -0.047 0.000 0.970 158 Y HN 0.273 nan 8.280 nan 0.000 0.511 159 E N -0.222 120.038 120.200 0.099 0.000 2.051 159 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 159 E C 2.458 179.035 176.600 -0.039 0.000 0.991 159 E CA 1.248 57.653 56.400 0.009 0.000 0.799 159 E CB -0.471 29.215 29.700 -0.024 0.000 0.748 159 E HN 0.389 nan 8.360 nan 0.000 0.449 160 A N 0.845 123.646 122.820 -0.032 0.000 2.067 160 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 160 A C 2.524 180.064 177.584 -0.073 0.000 1.158 160 A CA 0.828 52.823 52.037 -0.070 0.000 0.661 160 A CB -0.343 18.633 19.000 -0.041 0.000 0.801 160 A HN 0.101 nan 8.150 nan 0.000 0.452 161 V N 0.120 120.004 119.914 -0.049 0.000 2.255 161 V HA -0.217 3.903 4.120 -0.000 0.000 0.243 161 V C 2.561 178.586 176.094 -0.116 0.000 1.038 161 V CA 2.187 64.429 62.300 -0.097 0.000 1.008 161 V CB -0.484 31.191 31.823 -0.247 0.000 0.645 161 V HN 0.591 nan 8.190 nan 0.000 0.449 162 K N -0.311 120.017 120.400 -0.120 0.000 2.044 162 K HA -0.277 4.043 4.320 -0.000 0.000 0.210 162 K C 2.237 178.800 176.600 -0.061 0.000 1.049 162 K CA 2.108 58.344 56.287 -0.086 0.000 0.927 162 K CB -0.236 32.225 32.500 -0.066 0.000 0.713 162 K HN 0.522 nan 8.250 nan 0.000 0.443 163 Q N -0.510 119.225 119.800 -0.108 0.000 2.112 163 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 163 Q C 1.940 177.825 176.000 -0.192 0.000 0.987 163 Q CA 2.441 58.129 55.803 -0.193 0.000 0.858 163 Q CB -0.204 28.354 28.738 -0.299 0.000 0.905 163 Q HN 0.560 nan 8.270 nan 0.000 0.420 164 T N -3.373 111.095 114.554 -0.144 0.000 3.055 164 T HA -0.010 4.340 4.350 -0.000 0.000 0.265 164 T C 1.787 176.559 174.700 0.120 0.000 1.111 164 T CA 1.217 63.278 62.100 -0.065 0.000 1.118 164 T CB -0.075 68.723 68.868 -0.116 0.000 0.909 164 T HN 0.061 nan 8.240 nan 0.000 0.501 165 T N 1.990 116.588 114.554 0.074 0.000 2.809 165 T HA -0.031 4.319 4.350 -0.000 0.000 0.260 165 T C 1.586 176.381 174.700 0.158 0.000 1.039 165 T CA 1.243 63.406 62.100 0.105 0.000 1.141 165 T CB -0.548 68.347 68.868 0.045 0.000 0.869 165 T HN 0.339 nan 8.240 nan 0.000 0.437 166 D N 0.269 120.767 120.400 0.163 0.000 2.265 166 D HA -0.060 4.580 4.640 -0.000 0.000 0.208 166 D C 0.635 177.171 176.300 0.393 0.000 0.977 166 D CA 0.910 55.050 54.000 0.234 0.000 0.871 166 D CB -0.135 40.800 40.800 0.225 0.000 0.925 166 D HN 0.403 nan 8.370 nan 0.000 0.485 167 Y N -0.566 119.830 120.300 0.159 0.000 2.625 167 Y HA 0.350 4.900 4.550 -0.000 0.000 0.285 167 Y C 1.910 177.947 175.900 0.229 0.000 1.168 167 Y CA -0.140 58.105 58.100 0.242 0.000 1.250 167 Y CB 0.503 39.208 38.460 0.408 0.000 1.130 167 Y HN 0.012 nan 8.280 nan 0.000 0.526 168 G N -0.095 108.865 108.800 0.266 0.000 2.708 168 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.229 168 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.229 168 G C 1.354 176.332 174.900 0.130 0.000 1.236 168 G CA 0.601 45.765 45.100 0.106 0.000 0.749 168 G HN 0.320 nan 8.290 nan 0.000 0.515 169 F N 1.585 121.583 119.950 0.081 0.000 2.104 169 F HA 0.100 4.627 4.527 -0.000 0.000 0.289 169 F C 2.360 178.186 175.800 0.044 0.000 1.115 169 F CA 3.354 61.388 58.000 0.056 0.000 1.273 169 F CB -1.010 38.023 39.000 0.054 0.000 0.933 169 F HN 1.821 nan 8.300 nan 0.000 0.517 170 G N -0.889 108.075 108.800 0.274 0.000 2.699 170 G HA2 0.046 4.006 3.960 -0.000 0.000 0.686 170 G HA3 0.046 4.006 3.960 -0.000 0.000 0.686 170 G C -1.403 173.581 174.900 0.140 0.000 1.301 170 G CA -0.819 44.382 45.100 0.168 0.000 0.816 170 G HN 0.400 nan 8.290 nan 0.000 0.595 171 Q N -0.264 119.613 119.800 0.128 0.000 2.309 171 Q HA 0.693 5.033 4.340 -0.000 0.000 0.264 171 Q C 1.303 177.368 176.000 0.108 0.000 1.008 171 Q CA -0.166 55.704 55.803 0.112 0.000 0.853 171 Q CB 1.883 30.713 28.738 0.153 0.000 1.314 171 Q HN 1.022 nan 8.270 nan 0.000 0.448 172 S N 0.767 116.523 115.700 0.092 0.000 2.329 172 S HA 0.077 4.547 4.470 -0.000 0.000 0.215 172 S C 0.640 175.325 174.600 0.141 0.000 1.031 172 S CA 0.834 59.102 58.200 0.114 0.000 0.985 172 S CB 0.094 63.368 63.200 0.123 0.000 0.917 172 S HN 0.551 nan 8.310 nan 0.000 0.441 173 T N -0.238 114.435 114.554 0.198 0.000 3.012 173 T HA 0.488 4.838 4.350 -0.000 0.000 0.330 173 T C -1.905 172.942 174.700 0.245 0.000 1.321 173 T CA -0.608 61.605 62.100 0.190 0.000 1.067 173 T CB 1.433 70.408 68.868 0.177 0.000 1.235 173 T HN 0.475 nan 8.240 nan 0.000 0.479 174 C N 3.783 123.175 119.300 0.152 0.000 2.298 174 C HA 0.782 5.242 4.460 -0.000 0.000 0.323 174 C C -0.075 174.988 174.990 0.123 0.000 1.284 174 C CA -0.709 58.411 59.018 0.170 0.000 1.577 174 C CB 0.229 28.067 27.740 0.162 0.000 2.249 174 C HN 0.689 nan 8.230 nan 0.000 0.497 175 V N 3.291 123.297 119.914 0.153 0.000 2.409 175 V HA 0.719 4.839 4.120 -0.000 0.000 0.291 175 V C 0.550 176.697 176.094 0.088 0.000 1.020 175 V CA -0.023 62.325 62.300 0.080 0.000 0.848 175 V CB 1.760 33.603 31.823 0.034 0.000 0.990 175 V HN 1.048 nan 8.190 nan 0.000 0.430 176 G N 4.356 113.182 108.800 0.044 0.000 2.415 176 G HA2 0.506 4.466 3.960 -0.000 0.000 0.317 176 G HA3 0.506 4.466 3.960 -0.000 0.000 0.317 176 G C 0.544 175.425 174.900 -0.033 0.000 1.152 176 G CA -0.465 44.653 45.100 0.030 0.000 0.956 176 G HN 0.920 nan 8.290 nan 0.000 0.458 177 I N 1.229 121.756 120.570 -0.071 0.000 3.684 177 I HA 0.432 4.602 4.170 -0.000 0.000 0.304 177 I C 0.810 176.828 176.117 -0.165 0.000 1.278 177 I CA 0.323 61.539 61.300 -0.140 0.000 1.272 177 I CB -0.490 37.371 38.000 -0.231 0.000 1.029 177 I HN 0.701 nan 8.210 nan 0.000 0.458 178 G N 0.740 109.447 108.800 -0.155 0.000 2.692 178 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.686 178 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.686 178 G C 0.307 175.036 174.900 -0.286 0.000 1.243 178 G CA -0.465 44.518 45.100 -0.195 0.000 0.782 178 G HN 0.447 nan 8.290 nan 0.000 0.625 179 G N -0.054 108.500 108.800 -0.411 0.000 2.887 179 G HA2 0.345 4.305 3.960 -0.000 0.000 0.211 179 G HA3 0.345 4.305 3.960 -0.000 0.000 0.211 179 G C 0.394 175.118 174.900 -0.295 0.000 1.152 179 G CA 0.957 45.708 45.100 -0.581 0.000 0.769 179 G HN 0.782 nan 8.290 nan 0.000 0.541 180 D N 0.819 121.101 120.400 -0.197 0.000 2.364 180 D HA 0.101 4.741 4.640 -0.000 0.000 0.236 180 D C -0.742 175.494 176.300 -0.106 0.000 1.221 180 D CA -1.366 52.564 54.000 -0.117 0.000 0.891 180 D CB 1.347 42.090 40.800 -0.094 0.000 1.190 180 D HN 0.067 nan 8.370 nan 0.000 0.449 181 P HA 0.008 nan 4.420 nan 0.000 0.222 181 P C 0.273 177.527 177.300 -0.076 0.000 1.153 181 P CA 0.874 63.935 63.100 -0.066 0.000 0.798 181 P CB 0.645 32.319 31.700 -0.044 0.000 0.796 182 I N 2.484 123.009 120.570 -0.076 0.000 2.595 182 I HA 0.281 4.451 4.170 -0.000 0.000 0.275 182 I C -2.332 173.730 176.117 -0.091 0.000 1.092 182 I CA -2.401 58.852 61.300 -0.078 0.000 1.145 182 I CB 1.977 39.941 38.000 -0.061 0.000 1.276 182 I HN -0.116 nan 8.210 nan 0.000 0.497 183 P HA 0.179 nan 4.420 nan 0.000 0.276 183 P C 0.830 178.061 177.300 -0.114 0.000 1.252 183 P CA -0.199 62.824 63.100 -0.127 0.000 0.802 183 P CB 1.583 33.180 31.700 -0.171 0.000 1.035 184 G N 0.453 109.187 108.800 -0.109 0.000 2.484 184 G HA2 0.024 3.984 3.960 -0.000 0.000 0.218 184 G HA3 0.024 3.984 3.960 -0.000 0.000 0.218 184 G C 0.060 174.899 174.900 -0.102 0.000 1.130 184 G CA 0.272 45.315 45.100 -0.095 0.000 0.784 184 G HN 0.702 nan 8.290 nan 0.000 0.543 185 S N -0.886 114.740 115.700 -0.123 0.000 2.543 185 S HA 0.445 4.915 4.470 -0.000 0.000 0.273 185 S C -0.732 173.767 174.600 -0.168 0.000 1.152 185 S CA -0.984 57.139 58.200 -0.129 0.000 0.910 185 S CB 1.457 64.587 63.200 -0.117 0.000 1.105 185 S HN 0.640 nan 8.310 nan 0.000 0.465 186 N N 0.166 118.761 118.700 -0.175 0.000 2.879 186 N HA 0.589 5.329 4.740 -0.000 0.000 0.329 186 N C -0.086 175.317 175.510 -0.178 0.000 1.337 186 N CA -1.118 51.779 53.050 -0.253 0.000 0.844 186 N CB 0.142 38.499 38.487 -0.215 0.000 1.236 186 N HN 0.255 nan 8.380 nan 0.000 0.601 187 F N 0.453 120.356 119.950 -0.078 0.000 2.025 187 F HA -0.092 4.435 4.527 0.000 0.000 0.297 187 F C 2.332 178.068 175.800 -0.107 0.000 1.132 187 F CA 1.027 58.990 58.000 -0.062 0.000 1.191 187 F CB -0.883 38.095 39.000 -0.037 0.000 0.963 187 F HN 0.394 nan 8.300 nan 0.000 0.481 188 I N -0.024 120.566 120.570 0.034 0.000 2.185 188 I HA -0.366 3.804 4.170 -0.000 0.000 0.246 188 I C 2.112 178.062 176.117 -0.278 0.000 1.088 188 I CA 1.666 62.804 61.300 -0.270 0.000 1.347 188 I CB -0.519 37.214 38.000 -0.445 0.000 1.041 188 I HN 0.167 nan 8.210 nan 0.000 0.415 189 D N 0.496 120.788 120.400 -0.180 0.000 2.178 189 D HA -0.145 4.495 4.640 -0.000 0.000 0.201 189 D C 2.109 178.334 176.300 -0.126 0.000 0.980 189 D CA 1.276 55.183 54.000 -0.155 0.000 0.842 189 D CB 0.059 40.781 40.800 -0.131 0.000 0.948 189 D HN 0.316 nan 8.370 nan 0.000 0.472 190 I N 0.361 120.877 120.570 -0.089 0.000 2.703 190 I HA -0.052 4.118 4.170 -0.000 0.000 0.259 190 I C 2.473 178.541 176.117 -0.081 0.000 1.151 190 I CA 0.326 61.548 61.300 -0.129 0.000 1.470 190 I CB -0.692 37.260 38.000 -0.079 0.000 1.112 190 I HN 0.003 nan 8.210 nan 0.000 0.437 191 L N 0.761 122.028 121.223 0.073 0.000 2.079 191 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 191 L C 2.549 179.552 176.870 0.222 0.000 1.081 191 L CA 1.500 56.473 54.840 0.222 0.000 0.752 191 L CB -0.392 41.803 42.059 0.226 0.000 0.896 191 L HN 0.313 nan 8.230 nan 0.000 0.433 192 E N 0.283 120.552 120.200 0.115 0.000 2.106 192 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 192 E C 2.315 178.966 176.600 0.085 0.000 0.984 192 E CA 0.974 57.466 56.400 0.153 0.000 0.806 192 E CB -0.002 29.745 29.700 0.077 0.000 0.750 192 E HN 0.443 nan 8.360 nan 0.000 0.458 193 M N -0.217 119.365 119.600 -0.031 0.000 2.358 193 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 193 M C 1.438 177.721 176.300 -0.029 0.000 1.064 193 M CA 0.898 56.146 55.300 -0.087 0.000 1.093 193 M CB -0.153 32.315 32.600 -0.220 0.000 1.401 193 M HN 0.122 nan 8.290 nan 0.000 0.440 194 F N 0.877 120.862 119.950 0.059 0.000 2.059 194 F HA -0.106 4.421 4.527 -0.000 0.000 0.289 194 F C 2.505 178.342 175.800 0.061 0.000 1.128 194 F CA 1.552 59.586 58.000 0.057 0.000 1.181 194 F CB -1.179 37.857 39.000 0.060 0.000 1.012 194 F HN 0.068 nan 8.300 nan 0.000 0.473 195 E N 0.921 121.296 120.200 0.291 0.000 2.196 195 E HA -0.299 4.051 4.350 -0.000 0.000 0.222 195 E C 1.666 178.349 176.600 0.138 0.000 1.072 195 E CA 2.211 58.720 56.400 0.181 0.000 0.902 195 E CB -0.365 29.438 29.700 0.171 0.000 0.780 195 E HN 0.278 nan 8.360 nan 0.000 0.467 196 K N 0.237 120.713 120.400 0.128 0.000 2.589 196 K HA -0.029 4.291 4.320 -0.000 0.000 0.192 196 K C -0.240 176.413 176.600 0.088 0.000 1.029 196 K CA 0.552 56.895 56.287 0.092 0.000 1.031 196 K CB -0.147 32.397 32.500 0.073 0.000 0.821 196 K HN 0.218 nan 8.250 nan 0.000 0.502 197 D N 0.289 120.761 120.400 0.120 0.000 2.217 197 D HA 0.092 4.732 4.640 -0.000 0.000 0.243 197 D C -1.535 174.828 176.300 0.105 0.000 1.054 197 D CA -2.449 51.622 54.000 0.118 0.000 0.838 197 D CB 1.630 42.531 40.800 0.169 0.000 1.162 197 D HN -0.215 nan 8.370 nan 0.000 0.472 198 P HA -0.175 nan 4.420 nan 0.000 0.213 198 P C 1.318 178.658 177.300 0.067 0.000 1.169 198 P CA 0.963 64.102 63.100 0.064 0.000 0.885 198 P CB 0.169 31.900 31.700 0.051 0.000 0.779 199 Q N 0.051 119.895 119.800 0.073 0.000 2.325 199 Q HA -0.099 4.241 4.340 -0.000 0.000 0.211 199 Q C -0.126 175.917 176.000 0.073 0.000 0.988 199 Q CA 1.087 56.933 55.803 0.072 0.000 0.887 199 Q CB -0.462 28.323 28.738 0.080 0.000 0.915 199 Q HN 0.204 nan 8.270 nan 0.000 0.440 200 T N 0.521 115.124 114.554 0.082 0.000 2.738 200 T HA 0.142 4.492 4.350 -0.000 0.000 0.298 200 T C -0.051 174.659 174.700 0.016 0.000 0.962 200 T CA -0.378 61.743 62.100 0.035 0.000 0.972 200 T CB 1.435 70.323 68.868 0.033 0.000 0.928 200 T HN 0.196 nan 8.240 nan 0.000 0.474 201 E N 1.944 122.150 120.200 0.010 0.000 2.140 201 E HA 0.333 4.683 4.350 -0.000 0.000 0.191 201 E C 0.812 177.411 176.600 -0.001 0.000 0.973 201 E CA 0.260 56.674 56.400 0.022 0.000 0.829 201 E CB 0.373 30.104 29.700 0.052 0.000 0.781 201 E HN 0.768 nan 8.360 nan 0.000 0.466 202 A N -0.156 122.640 122.820 -0.039 0.000 2.569 202 A HA 0.691 5.011 4.320 -0.000 0.000 0.290 202 A C -1.345 176.138 177.584 -0.169 0.000 1.136 202 A CA -0.654 51.342 52.037 -0.069 0.000 0.710 202 A CB 1.234 20.216 19.000 -0.030 0.000 1.303 202 A HN 0.084 nan 8.150 nan 0.000 0.413 203 I N 0.709 121.184 120.570 -0.159 0.000 2.545 203 I HA 0.463 4.633 4.170 -0.000 0.000 0.292 203 I C -1.070 174.960 176.117 -0.145 0.000 1.040 203 I CA -1.017 60.153 61.300 -0.217 0.000 1.068 203 I CB 2.311 40.197 38.000 -0.190 0.000 1.251 203 I HN 0.410 nan 8.210 nan 0.000 0.424 204 V N 5.215 125.043 119.914 -0.143 0.000 2.334 204 V HA 0.463 4.583 4.120 -0.000 0.000 0.281 204 V C -0.181 175.886 176.094 -0.046 0.000 1.016 204 V CA -0.607 61.642 62.300 -0.085 0.000 0.832 204 V CB 1.250 33.026 31.823 -0.078 0.000 0.999 204 V HN 0.766 nan 8.190 nan 0.000 0.439 205 M N 6.661 126.221 119.600 -0.067 0.000 2.101 205 M HA 0.638 5.118 4.480 -0.000 0.000 0.340 205 M C -1.480 174.757 176.300 -0.104 0.000 1.057 205 M CA -0.274 54.951 55.300 -0.125 0.000 0.984 205 M CB 0.947 33.384 32.600 -0.271 0.000 1.560 205 M HN 0.607 nan 8.290 nan 0.000 0.435 206 I N 5.158 125.723 120.570 -0.008 0.000 2.362 206 I HA 0.587 4.757 4.170 -0.000 0.000 0.289 206 I C 0.432 176.608 176.117 0.097 0.000 0.994 206 I CA -0.549 60.782 61.300 0.051 0.000 1.158 206 I CB 1.528 39.610 38.000 0.135 0.000 1.315 206 I HN 0.888 nan 8.210 nan 0.000 0.451 207 G N 5.014 113.795 108.800 -0.031 0.000 3.209 207 G HA2 0.847 4.807 3.960 -0.000 0.000 0.236 207 G HA3 0.847 4.807 3.960 -0.000 0.000 0.236 207 G C -1.088 173.771 174.900 -0.068 0.000 1.329 207 G CA -0.261 44.874 45.100 0.058 0.000 1.015 207 G HN 0.668 nan 8.290 nan 0.000 0.571 208 E N -1.993 118.171 120.200 -0.059 0.000 2.429 208 E HA 0.253 4.603 4.350 -0.000 0.000 0.277 208 E C -0.314 176.251 176.600 -0.059 0.000 1.130 208 E CA -0.967 55.379 56.400 -0.090 0.000 0.875 208 E CB 0.594 30.283 29.700 -0.018 0.000 1.443 208 E HN 0.808 nan 8.360 nan 0.000 0.444 209 I N -0.855 119.684 120.570 -0.053 0.000 3.332 209 I HA 0.448 4.618 4.170 -0.000 0.000 0.280 209 I C 0.770 176.881 176.117 -0.010 0.000 1.285 209 I CA 0.816 62.097 61.300 -0.032 0.000 1.347 209 I CB -0.443 37.544 38.000 -0.021 0.000 1.353 209 I HN 0.912 nan 8.210 nan 0.000 0.611 210 G N 1.892 110.687 108.800 -0.009 0.000 3.137 210 G HA2 0.394 4.354 3.960 -0.000 0.000 0.686 210 G HA3 0.394 4.354 3.960 -0.000 0.000 0.686 210 G C 0.139 175.036 174.900 -0.007 0.000 0.988 210 G CA -0.257 44.840 45.100 -0.004 0.000 0.789 210 G HN 2.603 nan 8.290 nan 0.000 0.544 211 G N 0.805 109.601 108.800 -0.008 0.000 2.527 211 G HA2 0.379 4.339 3.960 -0.000 0.000 0.227 211 G HA3 0.379 4.339 3.960 -0.000 0.000 0.227 211 G C 0.801 175.700 174.900 -0.001 0.000 1.291 211 G CA 1.192 46.286 45.100 -0.010 0.000 0.904 211 G HN 2.777 nan 8.290 nan 0.000 0.577 212 S N -2.479 113.223 115.700 0.004 0.000 3.004 212 S HA 0.606 5.076 4.470 -0.000 0.000 0.244 212 S C 1.383 176.007 174.600 0.040 0.000 0.870 212 S CA 1.179 59.389 58.200 0.017 0.000 1.267 212 S CB 0.315 63.521 63.200 0.010 0.000 1.208 212 S HN 2.310 nan 8.310 nan 0.000 0.624 213 A N 1.340 124.191 122.820 0.052 0.000 2.168 213 A HA 0.190 4.510 4.320 -0.000 0.000 0.215 213 A C 1.864 179.597 177.584 0.247 0.000 1.152 213 A CA 1.230 53.327 52.037 0.099 0.000 0.716 213 A CB -0.416 18.589 19.000 0.008 0.000 0.794 213 A HN 0.485 nan 8.150 nan 0.000 0.465 214 E N 0.281 120.606 120.200 0.208 0.000 2.028 214 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 214 E C 1.903 178.525 176.600 0.036 0.000 0.988 214 E CA 1.485 57.959 56.400 0.122 0.000 0.799 214 E CB -0.235 29.478 29.700 0.022 0.000 0.755 214 E HN 0.625 nan 8.360 nan 0.000 0.447 215 E N 0.818 121.037 120.200 0.031 0.000 2.049 215 E HA -0.223 4.127 4.350 -0.000 0.000 0.198 215 E C 1.980 178.607 176.600 0.044 0.000 1.007 215 E CA 1.640 58.055 56.400 0.024 0.000 0.809 215 E CB -0.138 29.575 29.700 0.022 0.000 0.749 215 E HN 0.299 nan 8.360 nan 0.000 0.450 216 E N -0.014 120.220 120.200 0.057 0.000 2.118 216 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 216 E C 2.028 178.685 176.600 0.095 0.000 0.992 216 E CA 0.963 57.403 56.400 0.066 0.000 0.804 216 E CB -0.200 29.529 29.700 0.049 0.000 0.741 216 E HN 0.306 nan 8.360 nan 0.000 0.458 217 A N 1.600 124.480 122.820 0.099 0.000 1.877 217 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 217 A C 2.386 180.041 177.584 0.119 0.000 1.186 217 A CA 1.712 53.816 52.037 0.112 0.000 0.620 217 A CB -0.805 18.224 19.000 0.049 0.000 0.822 217 A HN 0.306 nan 8.150 nan 0.000 0.443 218 A N 0.128 122.982 122.820 0.056 0.000 1.848 218 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 218 A C 2.601 180.235 177.584 0.083 0.000 1.220 218 A CA 3.149 55.214 52.037 0.046 0.000 0.645 218 A CB -1.523 17.490 19.000 0.022 0.000 0.842 218 A HN 1.376 nan 8.150 nan 0.000 0.451 219 A N -1.716 121.155 122.820 0.085 0.000 1.896 219 A HA -0.290 4.030 4.320 -0.000 0.000 0.220 219 A C 2.193 179.862 177.584 0.141 0.000 1.206 219 A CA 2.270 54.364 52.037 0.094 0.000 0.647 219 A CB -1.163 17.891 19.000 0.090 0.000 0.828 219 A HN 1.025 nan 8.150 nan 0.000 0.455 220 Y N 0.052 120.380 120.300 0.047 0.000 2.483 220 Y HA -0.105 4.445 4.550 -0.000 0.000 0.291 220 Y C 1.837 177.793 175.900 0.093 0.000 1.143 220 Y CA 1.404 59.541 58.100 0.061 0.000 1.289 220 Y CB -0.129 38.340 38.460 0.014 0.000 0.983 220 Y HN 0.330 nan 8.280 nan 0.000 0.556 221 I N -0.098 120.546 120.570 0.123 0.000 2.296 221 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 221 I C 2.523 178.628 176.117 -0.021 0.000 1.087 221 I CA 1.120 62.445 61.300 0.043 0.000 1.393 221 I CB -0.444 37.600 38.000 0.073 0.000 1.093 221 I HN 0.041 nan 8.210 nan 0.000 0.421 222 K N 1.296 121.696 120.400 0.001 0.000 2.059 222 K HA -0.316 4.003 4.320 -0.000 0.000 0.212 222 K C 1.980 178.549 176.600 -0.051 0.000 1.050 222 K CA 2.406 58.684 56.287 -0.016 0.000 0.927 222 K CB -0.079 32.421 32.500 0.001 0.000 0.714 222 K HN 0.174 nan 8.250 nan 0.000 0.447 223 E N -0.871 119.298 120.200 -0.051 0.000 2.158 223 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 223 E C 0.507 176.930 176.600 -0.296 0.000 0.982 223 E CA 1.227 57.563 56.400 -0.108 0.000 0.823 223 E CB 0.251 29.974 29.700 0.038 0.000 0.766 223 E HN 0.507 nan 8.360 nan 0.000 0.468 224 H N -1.893 116.949 119.070 -0.381 0.000 3.052 224 H HA 0.337 4.893 4.556 -0.000 0.000 0.257 224 H C -1.198 173.958 175.328 -0.287 0.000 1.193 224 H CA -0.208 55.591 56.048 -0.416 0.000 1.072 224 H CB 1.199 30.519 29.762 -0.737 0.000 1.685 224 H HN -0.121 nan 8.280 nan 0.000 0.630 225 V N 1.983 121.840 119.914 -0.094 0.000 2.357 225 V HA 0.155 4.275 4.120 -0.000 0.000 0.284 225 V C 1.332 177.422 176.094 -0.007 0.000 1.018 225 V CA 0.153 62.449 62.300 -0.006 0.000 0.841 225 V CB 1.517 33.364 31.823 0.039 0.000 0.991 225 V HN 0.527 nan 8.190 nan 0.000 0.437 226 T N 2.269 116.828 114.554 0.008 0.000 2.939 226 T HA 0.112 4.462 4.350 -0.000 0.000 0.254 226 T C 0.865 175.572 174.700 0.011 0.000 1.041 226 T CA 0.338 62.439 62.100 0.002 0.000 1.142 226 T CB 0.050 68.922 68.868 0.006 0.000 0.874 226 T HN 0.525 nan 8.240 nan 0.000 0.452 227 K N 2.566 122.980 120.400 0.024 0.000 2.234 227 K HA 0.289 4.609 4.320 -0.000 0.000 0.251 227 K C -2.368 174.238 176.600 0.009 0.000 1.011 227 K CA -1.382 54.916 56.287 0.019 0.000 0.889 227 K CB -0.210 32.304 32.500 0.022 0.000 1.011 227 K HN 0.317 nan 8.250 nan 0.000 0.505 228 P HA 0.230 nan 4.420 nan 0.000 0.290 228 P C -1.019 176.269 177.300 -0.019 0.000 1.275 228 P CA -0.482 62.617 63.100 -0.003 0.000 0.841 228 P CB 1.232 32.935 31.700 0.005 0.000 1.042 229 V N 2.781 122.685 119.914 -0.017 0.000 2.588 229 V HA 0.298 4.418 4.120 -0.000 0.000 0.304 229 V C -0.034 176.043 176.094 -0.027 0.000 1.042 229 V CA -0.747 61.534 62.300 -0.031 0.000 0.877 229 V CB 2.380 34.188 31.823 -0.025 0.000 0.996 229 V HN 0.281 nan 8.190 nan 0.000 0.425 230 V N 3.426 123.315 119.914 -0.042 0.000 2.417 230 V HA 0.858 4.978 4.120 -0.000 0.000 0.291 230 V C 0.578 176.664 176.094 -0.015 0.000 1.024 230 V CA -0.196 62.089 62.300 -0.025 0.000 0.861 230 V CB 1.642 33.434 31.823 -0.053 0.000 0.985 230 V HN 0.985 nan 8.190 nan 0.000 0.436 231 G N 2.770 111.586 108.800 0.026 0.000 2.481 231 G HA2 0.637 4.597 3.960 -0.000 0.000 0.315 231 G HA3 0.637 4.597 3.960 -0.000 0.000 0.315 231 G C -2.131 172.860 174.900 0.151 0.000 1.231 231 G CA -0.525 44.587 45.100 0.021 0.000 0.968 231 G HN 0.536 nan 8.290 nan 0.000 0.482 232 Y N 1.810 122.075 120.300 -0.059 0.000 2.421 232 Y HA 0.622 5.172 4.550 -0.000 0.000 0.339 232 Y C -1.337 174.461 175.900 -0.170 0.000 0.996 232 Y CA -1.799 56.292 58.100 -0.014 0.000 1.046 232 Y CB 1.595 40.067 38.460 0.020 0.000 1.226 232 Y HN 0.345 nan 8.280 nan 0.000 0.445 233 I N 5.577 125.412 120.570 -1.224 0.000 2.406 233 I HA 0.596 4.766 4.170 -0.000 0.000 0.290 233 I C -0.125 175.382 176.117 -1.016 0.000 0.999 233 I CA -0.849 59.804 61.300 -1.078 0.000 1.124 233 I CB 1.047 38.296 38.000 -1.251 0.000 1.289 233 I HN 0.805 nan 8.210 nan 0.000 0.441 234 A N 4.025 126.470 122.820 -0.625 0.000 2.301 234 A HA 0.768 5.088 4.320 -0.000 0.000 0.312 234 A C 0.549 178.057 177.584 -0.127 0.000 1.182 234 A CA 0.089 51.950 52.037 -0.294 0.000 0.826 234 A CB 0.956 19.893 19.000 -0.105 0.000 1.134 234 A HN 1.290 nan 8.150 nan 0.000 0.501 235 G N 1.232 110.012 108.800 -0.034 0.000 2.932 235 G HA2 0.036 3.996 3.960 -0.000 0.000 0.180 235 G HA3 0.036 3.996 3.960 -0.000 0.000 0.180 235 G C 0.042 174.950 174.900 0.014 0.000 1.072 235 G CA -0.065 45.028 45.100 -0.012 0.000 0.997 235 G HN 1.180 nan 8.290 nan 0.000 0.541 236 V N 0.205 120.147 119.914 0.046 0.000 2.795 236 V HA 0.039 4.159 4.120 -0.000 0.000 0.243 236 V C 2.799 178.916 176.094 0.038 0.000 1.069 236 V CA 2.432 64.767 62.300 0.058 0.000 1.089 236 V CB -0.097 31.779 31.823 0.088 0.000 0.756 236 V HN 0.910 nan 8.190 nan 0.000 0.471 237 T N -0.494 114.081 114.554 0.035 0.000 3.072 237 T HA 0.184 4.534 4.350 -0.000 0.000 0.266 237 T C 0.971 175.680 174.700 0.016 0.000 1.127 237 T CA 0.657 62.771 62.100 0.024 0.000 1.107 237 T CB -0.385 68.498 68.868 0.025 0.000 0.910 237 T HN 0.457 nan 8.240 nan 0.000 0.513 238 A N 3.764 126.592 122.820 0.013 0.000 2.540 238 A HA 0.477 4.797 4.320 -0.000 0.000 0.239 238 A C -1.378 176.209 177.584 0.006 0.000 1.061 238 A CA -1.113 50.927 52.037 0.005 0.000 0.758 238 A CB -0.202 18.798 19.000 -0.000 0.000 0.991 238 A HN 0.486 nan 8.150 nan 0.000 0.502 239 P HA 0.310 nan 4.420 nan 0.000 0.278 239 P C -0.827 176.475 177.300 0.003 0.000 1.258 239 P CA -0.498 62.604 63.100 0.004 0.000 0.811 239 P CB 0.757 32.459 31.700 0.002 0.000 1.063 240 K N -0.104 120.298 120.400 0.003 0.000 2.218 240 K HA 0.415 4.735 4.320 -0.000 0.000 0.276 240 K C 1.009 177.610 176.600 0.002 0.000 1.022 240 K CA 0.306 56.595 56.287 0.003 0.000 0.946 240 K CB 0.101 32.604 32.500 0.003 0.000 1.000 240 K HN 0.809 nan 8.250 nan 0.000 0.468 241 G N 1.748 110.548 108.800 0.001 0.000 2.168 241 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.257 241 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.257 241 G C -0.169 174.731 174.900 0.001 0.000 0.997 241 G CA 0.222 45.322 45.100 0.001 0.000 0.708 241 G HN 0.377 nan 8.290 nan 0.000 0.520 242 K N -0.275 120.126 120.400 0.001 0.000 2.316 242 K HA 0.473 4.793 4.320 -0.000 0.000 0.251 242 K C 0.220 176.820 176.600 0.001 0.000 0.934 242 K CA -1.024 55.263 56.287 0.001 0.000 0.802 242 K CB 1.723 34.223 32.500 -0.000 0.000 1.171 242 K HN 0.410 nan 8.250 nan 0.000 0.426 243 R N 3.358 123.859 120.500 0.003 0.000 2.234 243 R HA 0.233 4.573 4.340 -0.000 0.000 0.324 243 R C -0.359 175.942 176.300 0.001 0.000 1.054 243 R CA -0.338 55.766 56.100 0.006 0.000 0.912 243 R CB 0.449 30.756 30.300 0.011 0.000 1.030 243 R HN 0.325 nan 8.270 nan 0.000 0.455 244 M N 5.400 124.996 119.600 -0.006 0.000 2.923 244 M HA 0.179 4.659 4.480 -0.000 0.000 0.311 244 M C 1.078 177.348 176.300 -0.050 0.000 1.376 244 M CA 0.272 55.555 55.300 -0.029 0.000 1.468 244 M CB -0.138 32.437 32.600 -0.041 0.000 1.151 244 M HN 1.091 nan 8.290 nan 0.000 0.517 245 G N 2.068 110.851 108.800 -0.029 0.000 5.260 245 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.276 245 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.276 245 G C 0.251 175.182 174.900 0.052 0.000 1.357 245 G CA 0.210 45.293 45.100 -0.027 0.000 1.008 245 G HN 0.727 nan 8.290 nan 0.000 0.777 246 H N 1.805 120.868 119.070 -0.011 0.000 2.964 246 H HA 0.376 4.932 4.556 -0.000 0.000 0.328 246 H C 1.804 177.121 175.328 -0.017 0.000 1.030 246 H CA -0.026 56.012 56.048 -0.016 0.000 1.445 246 H CB 1.205 30.953 29.762 -0.023 0.000 1.449 246 H HN 0.657 nan 8.280 nan 0.000 0.581 247 A N 3.658 126.540 122.820 0.102 0.000 1.997 247 A HA -0.189 4.131 4.320 -0.000 0.000 0.221 247 A C 2.200 179.799 177.584 0.025 0.000 1.172 247 A CA 1.867 53.927 52.037 0.038 0.000 0.645 247 A CB -0.497 18.505 19.000 0.003 0.000 0.813 247 A HN 0.841 nan 8.150 nan 0.000 0.454 248 G N -1.891 106.923 108.800 0.023 0.000 3.605 248 G HA2 0.453 4.413 3.960 -0.000 0.000 0.277 248 G HA3 0.453 4.413 3.960 -0.000 0.000 0.277 248 G C 0.297 175.216 174.900 0.031 0.000 1.093 248 G CA 0.614 45.717 45.100 0.005 0.000 0.821 248 G HN 0.821 nan 8.290 nan 0.000 0.532 249 A N 1.007 123.867 122.820 0.066 0.000 3.173 249 A HA 0.703 5.023 4.320 -0.000 0.000 0.304 249 A C -0.487 177.111 177.584 0.022 0.000 1.318 249 A CA -0.488 51.582 52.037 0.054 0.000 1.069 249 A CB -0.265 18.781 19.000 0.076 0.000 1.147 249 A HN 0.480 nan 8.150 nan 0.000 0.547 250 I N 0.548 121.126 120.570 0.012 0.000 2.619 250 I HA 0.522 4.692 4.170 -0.000 0.000 0.292 250 I C -1.343 174.774 176.117 0.001 0.000 1.100 250 I CA -1.243 60.060 61.300 0.005 0.000 1.043 250 I CB 1.860 39.863 38.000 0.005 0.000 1.239 250 I HN 0.275 nan 8.210 nan 0.000 0.420 251 I N 7.680 128.250 120.570 0.000 0.000 2.281 251 I HA 0.362 4.532 4.170 -0.000 0.000 0.293 251 I C 0.376 176.493 176.117 -0.000 0.000 1.085 251 I CA -0.286 61.014 61.300 -0.000 0.000 1.257 251 I CB 1.017 39.017 38.000 0.001 0.000 1.430 251 I HN 0.616 nan 8.210 nan 0.000 0.489 252 A N 4.980 127.799 122.820 -0.001 0.000 2.260 252 A HA 0.585 4.905 4.320 -0.000 0.000 0.312 252 A C 1.065 178.649 177.584 -0.001 0.000 1.321 252 A CA -0.051 51.986 52.037 -0.001 0.000 0.928 252 A CB 0.219 19.217 19.000 -0.003 0.000 1.158 252 A HN 1.051 nan 8.150 nan 0.000 0.542 253 G N 1.716 110.516 108.800 -0.000 0.000 2.338 253 G HA2 0.151 4.111 3.960 -0.000 0.000 0.296 253 G HA3 0.151 4.111 3.960 -0.000 0.000 0.296 253 G C 1.493 176.394 174.900 0.002 0.000 1.040 253 G CA 1.044 46.144 45.100 0.001 0.000 1.004 253 G HN 2.705 nan 8.290 nan 0.000 0.509 254 G N -1.064 107.738 108.800 0.002 0.000 2.189 254 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.267 254 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.267 254 G C 0.500 175.402 174.900 0.004 0.000 0.975 254 G CA 1.601 46.704 45.100 0.004 0.000 0.644 254 G HN 1.336 nan 8.290 nan 0.000 0.537 255 K N 0.278 120.679 120.400 0.003 0.000 2.130 255 K HA 0.521 4.841 4.320 -0.000 0.000 0.268 255 K C 1.140 177.741 176.600 0.001 0.000 0.983 255 K CA 0.196 56.485 56.287 0.002 0.000 0.893 255 K CB 0.711 33.212 32.500 0.001 0.000 1.066 255 K HN 1.339 nan 8.250 nan 0.000 0.450 256 G N 2.234 111.034 108.800 0.000 0.000 2.165 256 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.226 256 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.226 256 G C 0.107 175.003 174.900 -0.007 0.000 1.035 256 G CA 0.326 45.423 45.100 -0.004 0.000 0.744 256 G HN 0.821 nan 8.290 nan 0.000 0.501 257 T N -2.885 111.668 114.554 -0.001 0.000 2.726 257 T HA 0.683 5.033 4.350 -0.000 0.000 0.294 257 T C 1.910 176.607 174.700 -0.004 0.000 1.013 257 T CA 0.548 62.649 62.100 0.003 0.000 0.996 257 T CB 1.331 70.208 68.868 0.016 0.000 1.016 257 T HN 1.438 nan 8.240 nan 0.000 0.529 258 A N 0.869 123.694 122.820 0.009 0.000 1.845 258 A HA -0.103 4.217 4.320 -0.000 0.000 0.215 258 A C 2.126 179.757 177.584 0.077 0.000 1.195 258 A CA 1.753 53.796 52.037 0.010 0.000 0.616 258 A CB -1.169 17.868 19.000 0.063 0.000 0.832 258 A HN 0.956 nan 8.150 nan 0.000 0.443 259 D N -0.259 120.221 120.400 0.133 0.000 2.106 259 D HA -0.196 4.444 4.640 -0.000 0.000 0.191 259 D C 1.872 178.252 176.300 0.133 0.000 0.997 259 D CA 1.821 55.925 54.000 0.173 0.000 0.834 259 D CB -0.461 40.397 40.800 0.097 0.000 0.956 259 D HN 0.664 nan 8.370 nan 0.000 0.448 260 E N 0.873 121.112 120.200 0.065 0.000 2.085 260 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 260 E C 2.151 178.769 176.600 0.031 0.000 0.994 260 E CA 0.921 57.347 56.400 0.044 0.000 0.801 260 E CB 0.032 29.746 29.700 0.022 0.000 0.743 260 E HN 0.269 nan 8.360 nan 0.000 0.453 261 K N 0.022 120.413 120.400 -0.016 0.000 2.032 261 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 261 K C 1.983 178.522 176.600 -0.101 0.000 1.048 261 K CA 1.268 57.499 56.287 -0.093 0.000 0.927 261 K CB -0.263 32.124 32.500 -0.188 0.000 0.712 261 K HN 0.033 nan 8.250 nan 0.000 0.441 262 F N 1.206 121.135 119.950 -0.036 0.000 2.010 262 F HA -0.246 4.281 4.527 -0.000 0.000 0.296 262 F C 2.620 178.409 175.800 -0.018 0.000 1.146 262 F CA 1.418 59.400 58.000 -0.031 0.000 1.181 262 F CB -1.109 37.876 39.000 -0.025 0.000 0.965 262 F HN 0.049 nan 8.300 nan 0.000 0.480 263 A N 0.298 123.247 122.820 0.216 0.000 1.873 263 A HA -0.303 4.017 4.320 -0.000 0.000 0.219 263 A C 2.334 179.962 177.584 0.073 0.000 1.269 263 A CA 2.910 55.015 52.037 0.112 0.000 0.671 263 A CB -1.660 17.387 19.000 0.078 0.000 0.842 263 A HN 0.425 nan 8.150 nan 0.000 0.460 264 A N -1.458 121.393 122.820 0.050 0.000 2.178 264 A HA 0.075 4.395 4.320 -0.000 0.000 0.218 264 A C 2.056 179.655 177.584 0.025 0.000 1.157 264 A CA 1.415 53.471 52.037 0.032 0.000 0.689 264 A CB -0.470 18.544 19.000 0.022 0.000 0.787 264 A HN 0.591 nan 8.150 nan 0.000 0.465 265 L N -1.566 119.672 121.223 0.026 0.000 2.446 265 L HA 0.013 4.353 4.340 -0.000 0.000 0.219 265 L C 2.200 179.092 176.870 0.036 0.000 1.116 265 L CA 0.596 55.441 54.840 0.008 0.000 0.844 265 L CB -0.089 41.948 42.059 -0.036 0.000 0.970 265 L HN 0.489 nan 8.230 nan 0.000 0.457 266 E N 0.009 120.246 120.200 0.061 0.000 2.024 266 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 266 E C 1.977 178.598 176.600 0.035 0.000 0.974 266 E CA 0.801 57.236 56.400 0.057 0.000 0.810 266 E CB -0.148 29.591 29.700 0.066 0.000 0.775 266 E HN 0.433 nan 8.360 nan 0.000 0.453 267 A N 0.951 123.791 122.820 0.032 0.000 2.285 267 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 267 A C 1.918 179.514 177.584 0.020 0.000 1.188 267 A CA 1.369 53.420 52.037 0.023 0.000 0.707 267 A CB -0.542 18.472 19.000 0.023 0.000 0.771 267 A HN 0.276 nan 8.150 nan 0.000 0.488 268 A N -2.015 120.818 122.820 0.021 0.000 2.267 268 A HA 0.462 4.782 4.320 -0.000 0.000 0.213 268 A C 1.571 179.163 177.584 0.012 0.000 1.192 268 A CA 0.995 53.043 52.037 0.017 0.000 0.851 268 A CB -0.407 18.605 19.000 0.020 0.000 0.881 268 A HN 1.860 nan 8.150 nan 0.000 0.494 269 G N -0.919 107.889 108.800 0.014 0.000 2.207 269 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.216 269 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.216 269 G C -0.161 174.746 174.900 0.011 0.000 1.053 269 G CA 0.028 45.135 45.100 0.010 0.000 0.764 269 G HN 0.778 nan 8.290 nan 0.000 0.495 270 V N -0.052 119.872 119.914 0.017 0.000 2.769 270 V HA 0.583 4.703 4.120 -0.000 0.000 0.312 270 V C 0.606 176.717 176.094 0.028 0.000 1.058 270 V CA -1.027 61.283 62.300 0.016 0.000 0.952 270 V CB 2.079 33.907 31.823 0.008 0.000 1.019 270 V HN 0.255 nan 8.190 nan 0.000 0.445 271 K N 2.659 123.074 120.400 0.026 0.000 2.263 271 K HA 0.350 4.670 4.320 -0.000 0.000 0.282 271 K C -0.023 176.615 176.600 0.062 0.000 1.089 271 K CA -0.249 56.059 56.287 0.034 0.000 0.907 271 K CB 0.752 33.264 32.500 0.018 0.000 1.148 271 K HN 0.946 nan 8.250 nan 0.000 0.470 272 T N -0.183 114.427 114.554 0.093 0.000 2.817 272 T HA 0.295 4.645 4.350 -0.000 0.000 0.293 272 T C 0.043 174.818 174.700 0.126 0.000 0.964 272 T CA -0.804 61.403 62.100 0.179 0.000 1.085 272 T CB 1.202 70.226 68.868 0.259 0.000 0.921 272 T HN 0.092 nan 8.240 nan 0.000 0.502 273 V N 4.890 124.923 119.914 0.199 0.000 2.384 273 V HA 0.403 4.523 4.120 -0.000 0.000 0.287 273 V C 1.347 177.548 176.094 0.178 0.000 1.020 273 V CA -0.835 61.534 62.300 0.116 0.000 0.850 273 V CB 1.402 33.269 31.823 0.072 0.000 0.987 273 V HN 0.938 nan 8.190 nan 0.000 0.436 274 R N 1.712 122.225 120.500 0.022 0.000 2.275 274 R HA 0.120 4.460 4.340 -0.000 0.000 0.199 274 R C 0.673 177.040 176.300 0.112 0.000 0.989 274 R CA 0.303 56.410 56.100 0.012 0.000 1.016 274 R CB 0.524 30.722 30.300 -0.169 0.000 0.918 274 R HN 0.590 nan 8.270 nan 0.000 0.473 275 S N 0.632 116.330 115.700 -0.002 0.000 2.552 275 S HA 0.177 4.647 4.470 -0.000 0.000 0.314 275 S C 0.581 175.004 174.600 -0.295 0.000 1.099 275 S CA -0.796 57.348 58.200 -0.093 0.000 1.070 275 S CB 1.099 64.260 63.200 -0.065 0.000 0.998 275 S HN 0.323 nan 8.310 nan 0.000 0.474 276 L N 3.423 124.299 121.223 -0.579 0.000 2.885 276 L HA 0.370 4.710 4.340 -0.000 0.000 0.258 276 L C 1.322 177.996 176.870 -0.326 0.000 1.146 276 L CA 0.834 55.265 54.840 -0.682 0.000 0.922 276 L CB -0.673 40.887 42.059 -0.831 0.000 1.138 276 L HN 0.613 nan 8.230 nan 0.000 0.431 277 A N -0.066 122.623 122.820 -0.218 0.000 1.942 277 A HA 0.041 4.361 4.320 -0.000 0.000 0.209 277 A C 1.429 178.928 177.584 -0.141 0.000 1.214 277 A CA 0.447 52.398 52.037 -0.144 0.000 0.686 277 A CB -0.043 18.905 19.000 -0.087 0.000 0.871 277 A HN 0.502 nan 8.150 nan 0.000 0.460 278 D N 0.384 120.708 120.400 -0.128 0.000 2.400 278 D HA 0.137 4.777 4.640 -0.000 0.000 0.243 278 D C 1.226 177.443 176.300 -0.138 0.000 1.184 278 D CA 0.055 53.994 54.000 -0.102 0.000 0.853 278 D CB 0.013 40.779 40.800 -0.057 0.000 0.944 278 D HN 0.478 nan 8.370 nan 0.000 0.501 279 I N 0.862 121.314 120.570 -0.198 0.000 2.193 279 I HA -0.146 4.024 4.170 -0.000 0.000 0.240 279 I C 2.595 178.547 176.117 -0.276 0.000 1.084 279 I CA 1.134 62.310 61.300 -0.208 0.000 1.365 279 I CB -0.312 37.557 38.000 -0.218 0.000 1.064 279 I HN 0.100 nan 8.210 nan 0.000 0.410 280 G N 0.289 108.836 108.800 -0.420 0.000 2.514 280 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.217 280 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.217 280 G C 1.454 176.160 174.900 -0.324 0.000 1.198 280 G CA 1.101 45.802 45.100 -0.665 0.000 0.780 280 G HN 0.291 nan 8.290 nan 0.000 0.565 281 E N 0.656 120.776 120.200 -0.133 0.000 2.136 281 E HA -0.164 4.186 4.350 -0.000 0.000 0.202 281 E C 2.702 179.332 176.600 0.051 0.000 1.019 281 E CA 1.691 58.155 56.400 0.106 0.000 0.819 281 E CB -0.543 29.202 29.700 0.075 0.000 0.739 281 E HN 0.375 nan 8.360 nan 0.000 0.458 282 A N -0.298 122.504 122.820 -0.030 0.000 2.014 282 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 282 A C 2.200 179.766 177.584 -0.030 0.000 1.163 282 A CA 0.883 52.908 52.037 -0.021 0.000 0.652 282 A CB -0.409 18.569 19.000 -0.036 0.000 0.808 282 A HN 0.305 nan 8.150 nan 0.000 0.449 283 L N -0.864 120.294 121.223 -0.108 0.000 2.156 283 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 283 L C 2.512 179.424 176.870 0.069 0.000 1.095 283 L CA 1.402 56.145 54.840 -0.162 0.000 0.770 283 L CB -0.339 41.383 42.059 -0.562 0.000 0.914 283 L HN 0.430 nan 8.230 nan 0.000 0.439 284 K N -0.001 120.517 120.400 0.197 0.000 2.160 284 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 284 K C 0.815 177.540 176.600 0.208 0.000 1.047 284 K CA 1.328 57.828 56.287 0.354 0.000 0.930 284 K CB -0.018 32.659 32.500 0.295 0.000 0.720 284 K HN 0.193 nan 8.250 nan 0.000 0.450 285 T N 2.063 116.692 114.554 0.126 0.000 3.792 285 T HA 0.168 4.518 4.350 -0.000 0.000 0.233 285 T C -0.625 174.123 174.700 0.079 0.000 0.860 285 T CA 0.232 62.382 62.100 0.082 0.000 0.915 285 T CB -0.946 67.953 68.868 0.052 0.000 1.216 285 T HN 0.191 nan 8.240 nan 0.000 0.664 286 V N 0.000 119.982 119.914 0.113 0.000 2.409 286 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 286 V CA 0.000 62.363 62.300 0.105 0.000 1.235 286 V CB 0.000 31.869 31.823 0.077 0.000 1.184 286 V HN 0.000 nan 8.190 nan 0.000 0.556