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 2ap1_1_A DATA FIRST_RESID -1 DATA SEQUENCE NAMYYGFDIG GTKIALGVFD STRRLQWEKR VPTPHTSYSA FLDAVCELVE DATA SEQUENCE EADQRFGVKG SVGIGIPGMP ETEDGTLYAA NVPAASGKPL RADLSARLDR DATA SEQUENCE DVRLDNDANC FALSEAWDDE FTQYPLVMGL ILGTGVGGGL VLNGKPITGQ DATA SEQUENCE SYITGEFGHM RLPVDALTLM GFDFPLRRCG CGQMGCIENY LSGRGFAWLY DATA SEQUENCE QHYYDQSLQA PEIIALWEQG DEQAHAHVER YLDLLAVCLG NILTIVDPDL DATA SEQUENCE LVIGGGLSNF TAITTQLAER LPRHLLPVAR APRIERARHG DAGGMRGAAF DATA SEQUENCE LHLTD 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 N HA 0.000 nan 4.740 nan 0.000 0.220 -1 N C 0.000 175.476 175.510 -0.057 0.000 1.280 -1 N CA 0.000 53.043 53.050 -0.011 0.000 0.885 -1 N CB 0.000 38.487 38.487 0.001 0.000 1.341 0 A N 1.369 124.129 122.820 -0.098 0.000 2.540 0 A HA 0.398 4.721 4.320 0.004 0.000 0.239 0 A C 0.277 177.684 177.584 -0.295 0.000 1.061 0 A CA 0.542 52.434 52.037 -0.241 0.000 0.758 0 A CB 0.048 18.882 19.000 -0.277 0.000 0.991 0 A HN 0.219 nan 8.150 nan 0.000 0.502 1 M N 1.752 121.086 119.600 -0.443 0.000 2.535 1 M HA 0.389 4.872 4.480 0.004 0.000 0.314 1 M C -1.586 174.367 176.300 -0.577 0.000 1.153 1 M CA -0.336 54.758 55.300 -0.342 0.000 0.924 1 M CB 1.668 34.130 32.600 -0.229 0.000 1.710 1 M HN 0.616 nan 8.290 nan 0.000 0.451 2 Y N 1.964 122.263 120.300 -0.002 0.000 2.328 2 Y HA 0.488 5.040 4.550 0.004 0.000 0.333 2 Y C -0.719 175.361 175.900 0.300 0.000 0.958 2 Y CA -0.663 57.470 58.100 0.055 0.000 1.167 2 Y CB 1.073 39.610 38.460 0.129 0.000 1.151 2 Y HN 0.375 nan 8.280 nan 0.000 0.470 3 Y N 1.378 121.781 120.300 0.172 0.000 2.323 3 Y HA 0.674 5.227 4.550 0.005 0.000 0.331 3 Y C 0.622 176.599 175.900 0.129 0.000 1.092 3 Y CA -2.200 55.958 58.100 0.097 0.000 1.150 3 Y CB 1.681 40.159 38.460 0.030 0.000 1.200 3 Y HN 0.677 nan 8.280 nan 0.000 0.472 4 G N 2.975 111.891 108.800 0.194 0.000 2.683 4 G HA2 0.576 4.538 3.960 0.004 0.000 0.299 4 G HA3 0.576 4.538 3.960 0.004 0.000 0.299 4 G C -1.831 173.033 174.900 -0.060 0.000 1.432 4 G CA -0.496 44.676 45.100 0.121 0.000 0.978 4 G HN 0.330 nan 8.290 nan 0.000 0.513 5 F N 1.644 121.652 119.950 0.098 0.000 2.436 5 F HA 0.366 4.895 4.527 0.003 0.000 0.340 5 F C 0.094 175.920 175.800 0.045 0.000 1.113 5 F CA -0.776 57.256 58.000 0.052 0.000 1.022 5 F CB 2.459 41.486 39.000 0.045 0.000 1.128 5 F HN 0.310 nan 8.300 nan 0.000 0.466 6 D N 5.260 125.776 120.400 0.194 0.000 2.427 6 D HA 0.280 4.922 4.640 0.004 0.000 0.226 6 D C -0.628 175.763 176.300 0.150 0.000 1.076 6 D CA -0.142 53.941 54.000 0.138 0.000 0.849 6 D CB 0.572 41.423 40.800 0.085 0.000 1.052 6 D HN 0.395 nan 8.370 nan 0.000 0.515 7 I N 3.339 124.005 120.570 0.159 0.000 2.304 7 I HA 0.440 4.612 4.170 0.004 0.000 0.291 7 I C 1.069 177.268 176.117 0.137 0.000 1.018 7 I CA -0.538 60.859 61.300 0.161 0.000 1.260 7 I CB 1.641 39.767 38.000 0.210 0.000 1.390 7 I HN 0.324 nan 8.210 nan 0.000 0.475 8 G N 3.166 112.042 108.800 0.126 0.000 3.013 8 G HA2 0.463 4.425 3.960 0.004 0.000 0.278 8 G HA3 0.463 4.425 3.960 0.004 0.000 0.278 8 G C 0.786 175.775 174.900 0.149 0.000 1.353 8 G CA -0.265 44.904 45.100 0.115 0.000 1.043 8 G HN 0.651 nan 8.290 nan 0.000 0.523 9 G N -1.298 107.590 108.800 0.146 0.000 2.422 9 G HA2 0.027 3.990 3.960 0.004 0.000 0.218 9 G HA3 0.027 3.990 3.960 0.004 0.000 0.218 9 G C 1.370 176.438 174.900 0.280 0.000 1.140 9 G CA 1.927 47.158 45.100 0.219 0.000 0.775 9 G HN 0.575 nan 8.290 nan 0.000 0.545 10 T N -0.092 114.559 114.554 0.162 0.000 3.004 10 T HA 0.208 4.561 4.350 0.004 0.000 0.243 10 T C 0.662 175.407 174.700 0.076 0.000 1.020 10 T CA 0.500 62.679 62.100 0.130 0.000 1.145 10 T CB 0.274 69.191 68.868 0.082 0.000 0.876 10 T HN 0.008 nan 8.240 nan 0.000 0.449 11 K N 0.759 121.195 120.400 0.059 0.000 2.435 11 K HA 0.577 4.900 4.320 0.004 0.000 0.251 11 K C -1.208 175.416 176.600 0.041 0.000 0.954 11 K CA -0.624 55.680 56.287 0.030 0.000 0.820 11 K CB 2.336 34.846 32.500 0.016 0.000 1.292 11 K HN 0.114 nan 8.250 nan 0.000 0.436 12 I N 1.711 122.293 120.570 0.021 0.000 2.330 12 I HA 0.295 4.467 4.170 0.004 0.000 0.289 12 I C -0.281 175.867 176.117 0.052 0.000 1.001 12 I CA -0.663 60.670 61.300 0.054 0.000 1.193 12 I CB 1.579 39.577 38.000 -0.003 0.000 1.345 12 I HN 0.528 nan 8.210 nan 0.000 0.461 13 A N 7.386 130.243 122.820 0.061 0.000 2.287 13 A HA 0.698 5.020 4.320 0.004 0.000 0.317 13 A C -1.018 176.497 177.584 -0.114 0.000 1.220 13 A CA -0.478 51.536 52.037 -0.038 0.000 0.835 13 A CB 1.083 20.060 19.000 -0.037 0.000 1.180 13 A HN 0.602 nan 8.150 nan 0.000 0.500 14 L N 2.818 123.859 121.223 -0.303 0.000 2.307 14 L HA 0.826 5.169 4.340 0.004 0.000 0.284 14 L C 0.257 176.842 176.870 -0.476 0.000 1.023 14 L CA 0.031 54.510 54.840 -0.603 0.000 0.810 14 L CB 1.627 43.228 42.059 -0.763 0.000 1.231 14 L HN 0.689 nan 8.230 nan 0.000 0.423 15 G N 4.303 112.882 108.800 -0.368 0.000 2.513 15 G HA2 0.615 4.578 3.960 0.004 0.000 0.317 15 G HA3 0.615 4.578 3.960 0.004 0.000 0.317 15 G C -1.735 172.954 174.900 -0.352 0.000 1.277 15 G CA -0.485 44.393 45.100 -0.370 0.000 0.955 15 G HN 0.521 nan 8.290 nan 0.000 0.484 16 V N 2.054 121.680 119.914 -0.481 0.000 2.417 16 V HA 0.587 4.710 4.120 0.004 0.000 0.291 16 V C -0.909 174.909 176.094 -0.459 0.000 1.024 16 V CA -0.552 61.605 62.300 -0.238 0.000 0.861 16 V CB 0.960 32.666 31.823 -0.195 0.000 0.985 16 V HN 0.591 nan 8.190 nan 0.000 0.436 17 F N 2.693 122.689 119.950 0.077 0.000 2.532 17 F HA 0.547 5.076 4.527 0.004 0.000 0.321 17 F C 0.403 176.282 175.800 0.131 0.000 1.089 17 F CA -1.030 57.041 58.000 0.119 0.000 0.926 17 F CB 1.562 40.692 39.000 0.217 0.000 1.168 17 F HN 0.653 nan 8.300 nan 0.000 0.459 18 D N -0.450 120.100 120.400 0.249 0.000 2.447 18 D HA 0.115 4.757 4.640 0.004 0.000 0.265 18 D C 1.097 177.560 176.300 0.271 0.000 1.250 18 D CA -0.352 53.758 54.000 0.184 0.000 1.046 18 D CB 0.286 41.148 40.800 0.103 0.000 1.095 18 D HN 0.421 nan 8.370 nan 0.000 0.555 19 S N -2.034 113.794 115.700 0.214 0.000 2.500 19 S HA -0.161 4.312 4.470 0.004 0.000 0.239 19 S C 1.558 176.186 174.600 0.046 0.000 0.989 19 S CA 1.073 59.405 58.200 0.220 0.000 0.951 19 S CB -1.219 62.079 63.200 0.164 0.000 0.759 19 S HN 0.730 nan 8.310 nan 0.000 0.523 20 T N -1.538 113.046 114.554 0.051 0.000 3.122 20 T HA 0.371 4.723 4.350 0.004 0.000 0.250 20 T C 0.594 175.290 174.700 -0.007 0.000 1.067 20 T CA -0.375 61.731 62.100 0.010 0.000 0.966 20 T CB -0.431 68.461 68.868 0.040 0.000 1.002 20 T HN 0.442 nan 8.240 nan 0.000 0.542 21 R N -0.158 120.349 120.500 0.011 0.000 3.908 21 R HA -0.111 4.232 4.340 0.004 0.000 0.381 21 R C -0.445 176.053 176.300 0.329 0.000 1.135 21 R CA 0.458 56.597 56.100 0.065 0.000 0.990 21 R CB -1.744 28.394 30.300 -0.271 0.000 1.557 21 R HN 0.477 nan 8.270 nan 0.000 0.535 22 R N 1.021 121.687 120.500 0.277 0.000 2.308 22 R HA 0.264 4.606 4.340 0.004 0.000 0.305 22 R C -0.008 176.430 176.300 0.230 0.000 1.053 22 R CA -0.862 55.391 56.100 0.254 0.000 0.957 22 R CB 0.770 31.158 30.300 0.146 0.000 1.022 22 R HN -0.057 nan 8.270 nan 0.000 0.461 23 L N 2.956 124.256 121.223 0.127 0.000 2.462 23 L HA -0.022 4.320 4.340 0.004 0.000 0.272 23 L C 0.562 177.361 176.870 -0.119 0.000 1.166 23 L CA 0.869 55.543 54.840 -0.276 0.000 0.880 23 L CB 0.833 42.735 42.059 -0.262 0.000 1.142 23 L HN 0.610 nan 8.230 nan 0.000 0.473 24 Q N 4.019 123.736 119.800 -0.138 0.000 2.402 24 Q HA 0.139 4.482 4.340 0.004 0.000 0.231 24 Q C -0.781 175.377 176.000 0.264 0.000 0.888 24 Q CA 0.441 56.294 55.803 0.082 0.000 0.938 24 Q CB 0.826 29.628 28.738 0.107 0.000 1.086 24 Q HN 0.727 nan 8.270 nan 0.000 0.543 25 W N 0.452 121.696 121.300 -0.093 0.000 3.363 25 W HA 0.395 5.056 4.660 0.002 0.000 0.306 25 W C -1.622 174.798 176.519 -0.164 0.000 1.253 25 W CA -0.437 56.886 57.345 -0.036 0.000 1.195 25 W CB 1.232 30.791 29.460 0.166 0.000 1.366 25 W HN -0.268 nan 8.180 nan 0.000 0.551 26 E N 3.471 123.237 120.200 -0.723 0.000 2.314 26 E HA 0.485 4.837 4.350 0.004 0.000 0.272 26 E C -1.577 174.373 176.600 -1.085 0.000 0.884 26 E CA -1.148 54.795 56.400 -0.761 0.000 0.753 26 E CB 2.875 32.327 29.700 -0.413 0.000 1.213 26 E HN 0.299 nan 8.360 nan 0.000 0.432 27 K N 2.341 122.202 120.400 -0.897 0.000 2.543 27 K HA 0.444 4.767 4.320 0.004 0.000 0.255 27 K C -1.509 174.865 176.600 -0.376 0.000 0.934 27 K CA -0.624 55.257 56.287 -0.676 0.000 0.810 27 K CB 1.522 33.507 32.500 -0.858 0.000 1.315 27 K HN 0.388 nan 8.250 nan 0.000 0.433 28 R N 1.963 122.325 120.500 -0.229 0.000 2.686 28 R HA 0.604 4.947 4.340 0.004 0.000 0.286 28 R C -0.831 175.418 176.300 -0.085 0.000 0.969 28 R CA -1.112 54.910 56.100 -0.130 0.000 0.898 28 R CB 2.003 32.245 30.300 -0.097 0.000 1.183 28 R HN 0.436 nan 8.270 nan 0.000 0.456 29 V N -0.848 119.033 119.914 -0.055 0.000 3.102 29 V HA 0.656 4.779 4.120 0.004 0.000 0.312 29 V C -2.777 173.295 176.094 -0.037 0.000 1.135 29 V CA -3.124 59.150 62.300 -0.044 0.000 1.022 29 V CB 2.172 33.969 31.823 -0.044 0.000 1.056 29 V HN 0.519 nan 8.190 nan 0.000 0.436 30 P HA 0.240 nan 4.420 nan 0.000 0.269 30 P C -0.225 177.034 177.300 -0.067 0.000 1.209 30 P CA 0.301 63.382 63.100 -0.031 0.000 0.776 30 P CB 0.229 31.917 31.700 -0.020 0.000 0.876 31 T N 5.264 119.766 114.554 -0.086 0.000 2.752 31 T HA 0.229 4.582 4.350 0.004 0.000 0.295 31 T C -2.162 172.336 174.700 -0.337 0.000 0.923 31 T CA -0.937 61.067 62.100 -0.159 0.000 1.112 31 T CB -0.402 68.395 68.868 -0.118 0.000 0.884 31 T HN 0.268 nan 8.240 nan 0.000 0.525 32 P HA 0.191 nan 4.420 nan 0.000 0.271 32 P C 0.402 177.600 177.300 -0.170 0.000 1.220 32 P CA -0.293 62.740 63.100 -0.111 0.000 0.768 32 P CB 0.523 32.236 31.700 0.021 0.000 0.848 33 H N 0.657 119.791 119.070 0.107 0.000 2.750 33 H HA 0.017 4.575 4.556 0.003 0.000 0.263 33 H C 1.595 176.959 175.328 0.060 0.000 0.964 33 H CA 1.076 57.169 56.048 0.075 0.000 1.205 33 H CB -0.399 29.393 29.762 0.050 0.000 1.454 33 H HN 0.403 nan 8.280 nan 0.000 0.503 34 T N -0.202 114.440 114.554 0.147 0.000 2.746 34 T HA -0.070 4.283 4.350 0.004 0.000 0.267 34 T C 1.106 175.861 174.700 0.091 0.000 1.039 34 T CA 0.981 63.141 62.100 0.100 0.000 1.142 34 T CB -0.043 68.868 68.868 0.072 0.000 0.866 34 T HN 0.327 nan 8.240 nan 0.000 0.444 35 S N -1.184 114.581 115.700 0.108 0.000 2.567 35 S HA 0.433 4.906 4.470 0.004 0.000 0.270 35 S C -0.041 174.671 174.600 0.187 0.000 1.152 35 S CA -0.811 57.461 58.200 0.121 0.000 0.835 35 S CB 0.873 64.127 63.200 0.091 0.000 1.115 35 S HN 0.037 nan 8.310 nan 0.000 0.459 36 Y N 2.097 122.417 120.300 0.032 0.000 2.200 36 Y HA -0.003 4.550 4.550 0.004 0.000 0.290 36 Y C 2.722 178.679 175.900 0.095 0.000 1.137 36 Y CA 2.153 60.280 58.100 0.045 0.000 1.163 36 Y CB -0.705 37.752 38.460 -0.006 0.000 0.988 36 Y HN 0.864 nan 8.280 nan 0.000 0.518 37 S N 0.025 115.738 115.700 0.022 0.000 2.370 37 S HA -0.219 4.254 4.470 0.004 0.000 0.226 37 S C 2.288 176.854 174.600 -0.056 0.000 1.033 37 S CA 1.485 59.635 58.200 -0.083 0.000 1.011 37 S CB -0.789 62.399 63.200 -0.020 0.000 0.852 37 S HN 0.580 nan 8.310 nan 0.000 0.457 38 A N 0.336 123.163 122.820 0.012 0.000 1.930 38 A HA 0.054 4.376 4.320 0.004 0.000 0.217 38 A C 1.977 179.558 177.584 -0.005 0.000 1.175 38 A CA 1.431 53.471 52.037 0.005 0.000 0.627 38 A CB -1.047 17.972 19.000 0.031 0.000 0.815 38 A HN 0.680 nan 8.150 nan 0.000 0.443 39 F N 0.634 120.531 119.950 -0.087 0.000 2.075 39 F HA -0.153 4.376 4.527 0.002 0.000 0.297 39 F C 1.960 177.664 175.800 -0.161 0.000 1.113 39 F CA 1.833 59.774 58.000 -0.097 0.000 1.218 39 F CB -0.283 38.707 39.000 -0.017 0.000 0.984 39 F HN 0.140 nan 8.300 nan 0.000 0.472 40 L N -0.048 121.113 121.223 -0.104 0.000 2.042 40 L HA -0.262 4.081 4.340 0.004 0.000 0.210 40 L C 2.143 178.872 176.870 -0.235 0.000 1.076 40 L CA 1.620 56.320 54.840 -0.233 0.000 0.749 40 L CB -0.855 41.004 42.059 -0.333 0.000 0.893 40 L HN 0.118 nan 8.230 nan 0.000 0.432 41 D N -0.034 120.259 120.400 -0.178 0.000 2.117 41 D HA -0.142 4.501 4.640 0.004 0.000 0.197 41 D C 2.228 178.433 176.300 -0.159 0.000 0.987 41 D CA 1.409 55.328 54.000 -0.135 0.000 0.829 41 D CB -0.069 40.678 40.800 -0.089 0.000 0.961 41 D HN 0.301 nan 8.370 nan 0.000 0.460 42 A N 0.374 123.064 122.820 -0.218 0.000 1.883 42 A HA -0.172 4.151 4.320 0.004 0.000 0.217 42 A C 2.500 179.941 177.584 -0.238 0.000 1.186 42 A CA 1.523 53.428 52.037 -0.220 0.000 0.624 42 A CB -0.771 18.061 19.000 -0.281 0.000 0.822 42 A HN 0.165 nan 8.150 nan 0.000 0.444 43 V N -1.122 118.549 119.914 -0.405 0.000 2.323 43 V HA -0.267 3.855 4.120 0.004 0.000 0.244 43 V C 2.631 178.581 176.094 -0.241 0.000 1.041 43 V CA 1.934 63.952 62.300 -0.471 0.000 1.025 43 V CB -0.987 30.406 31.823 -0.717 0.000 0.656 43 V HN 0.705 nan 8.190 nan 0.000 0.451 44 C N -0.048 119.144 119.300 -0.180 0.000 2.440 44 C HA -0.116 4.347 4.460 0.004 0.000 0.278 44 C C 2.651 177.644 174.990 0.006 0.000 1.295 44 C CA 0.775 59.754 59.018 -0.066 0.000 1.738 44 C CB -0.994 26.703 27.740 -0.071 0.000 1.987 44 C HN 0.619 nan 8.230 nan 0.000 0.492 45 E N 0.628 120.821 120.200 -0.012 0.000 2.106 45 E HA -0.144 4.208 4.350 0.004 0.000 0.192 45 E C 2.034 178.681 176.600 0.079 0.000 0.984 45 E CA 0.914 57.328 56.400 0.023 0.000 0.806 45 E CB -0.153 29.548 29.700 0.001 0.000 0.750 45 E HN 0.632 nan 8.360 nan 0.000 0.458 46 L N 0.383 121.676 121.223 0.116 0.000 2.056 46 L HA -0.170 4.173 4.340 0.004 0.000 0.207 46 L C 2.432 179.435 176.870 0.222 0.000 1.078 46 L CA 0.693 55.651 54.840 0.197 0.000 0.749 46 L CB -0.308 41.931 42.059 0.300 0.000 0.901 46 L HN 0.051 nan 8.230 nan 0.000 0.433 47 V N -0.158 119.932 119.914 0.294 0.000 2.295 47 V HA -0.289 3.834 4.120 0.004 0.000 0.246 47 V C 2.346 178.572 176.094 0.222 0.000 1.049 47 V CA 1.870 64.358 62.300 0.314 0.000 1.024 47 V CB -0.503 31.539 31.823 0.365 0.000 0.648 47 V HN 0.456 nan 8.190 nan 0.000 0.447 48 E N -0.210 120.080 120.200 0.150 0.000 2.077 48 E HA -0.271 4.081 4.350 0.004 0.000 0.193 48 E C 2.290 178.938 176.600 0.080 0.000 0.989 48 E CA 1.425 57.888 56.400 0.105 0.000 0.800 48 E CB -0.143 29.595 29.700 0.062 0.000 0.746 48 E HN 0.696 nan 8.360 nan 0.000 0.452 49 E N 0.570 120.818 120.200 0.080 0.000 2.058 49 E HA -0.235 4.117 4.350 0.004 0.000 0.194 49 E C 2.040 178.620 176.600 -0.033 0.000 0.997 49 E CA 1.098 57.522 56.400 0.039 0.000 0.801 49 E CB -0.072 29.705 29.700 0.128 0.000 0.746 49 E HN 0.231 nan 8.360 nan 0.000 0.450 50 A N 1.170 124.016 122.820 0.044 0.000 1.902 50 A HA -0.222 4.101 4.320 0.004 0.000 0.217 50 A C 1.844 179.545 177.584 0.195 0.000 1.181 50 A CA 1.888 53.932 52.037 0.013 0.000 0.623 50 A CB -0.617 18.149 19.000 -0.391 0.000 0.818 50 A HN 0.280 nan 8.150 nan 0.000 0.443 51 D N -0.395 120.148 120.400 0.239 0.000 2.116 51 D HA -0.153 4.490 4.640 0.004 0.000 0.193 51 D C 2.228 178.597 176.300 0.114 0.000 0.998 51 D CA 1.400 55.549 54.000 0.248 0.000 0.836 51 D CB -0.238 40.677 40.800 0.191 0.000 0.951 51 D HN 0.397 nan 8.370 nan 0.000 0.449 52 Q N 0.063 119.881 119.800 0.030 0.000 2.079 52 Q HA -0.093 4.249 4.340 0.004 0.000 0.200 52 Q C 2.277 178.197 176.000 -0.133 0.000 0.974 52 Q CA 0.768 56.544 55.803 -0.045 0.000 0.840 52 Q CB -0.334 28.368 28.738 -0.060 0.000 0.898 52 Q HN 0.336 nan 8.270 nan 0.000 0.430 53 R N -0.427 119.925 120.500 -0.247 0.000 2.096 53 R HA -0.102 4.241 4.340 0.004 0.000 0.235 53 R C 1.259 177.189 176.300 -0.617 0.000 1.127 53 R CA 1.204 56.981 56.100 -0.539 0.000 0.968 53 R CB 0.025 29.773 30.300 -0.919 0.000 0.861 53 R HN 0.160 nan 8.270 nan 0.000 0.440 54 F N -0.913 118.956 119.950 -0.136 0.000 2.678 54 F HA 0.340 4.869 4.527 0.004 0.000 0.305 54 F C 1.236 177.012 175.800 -0.040 0.000 1.090 54 F CA 0.374 58.332 58.000 -0.070 0.000 1.272 54 F CB 1.012 40.008 39.000 -0.006 0.000 1.060 54 F HN 0.194 nan 8.300 nan 0.000 0.576 55 G N 1.843 110.692 108.800 0.081 0.000 2.305 55 G HA2 -0.178 3.784 3.960 0.004 0.000 0.287 55 G HA3 -0.178 3.784 3.960 0.004 0.000 0.287 55 G C -0.319 174.617 174.900 0.061 0.000 1.036 55 G CA 0.558 45.685 45.100 0.045 0.000 0.887 55 G HN 0.377 nan 8.290 nan 0.000 0.505 56 V N -1.370 118.601 119.914 0.094 0.000 3.181 56 V HA 0.781 4.903 4.120 0.004 0.000 0.308 56 V C -1.065 175.045 176.094 0.026 0.000 1.214 56 V CA -1.347 60.976 62.300 0.038 0.000 1.053 56 V CB 2.054 33.888 31.823 0.018 0.000 1.069 56 V HN 0.102 nan 8.190 nan 0.000 0.441 57 K N 3.210 123.580 120.400 -0.051 0.000 2.266 57 K HA 0.449 4.772 4.320 0.004 0.000 0.274 57 K C 0.219 176.660 176.600 -0.265 0.000 1.090 57 K CA -0.006 56.228 56.287 -0.087 0.000 0.925 57 K CB 0.729 33.179 32.500 -0.084 0.000 1.225 57 K HN 0.903 nan 8.250 nan 0.000 0.458 58 G N 1.413 109.932 108.800 -0.470 0.000 2.527 58 G HA2 0.115 4.077 3.960 0.004 0.000 0.248 58 G HA3 0.115 4.077 3.960 0.004 0.000 0.248 58 G C 0.155 174.537 174.900 -0.864 0.000 1.231 58 G CA -0.403 44.030 45.100 -1.112 0.000 0.838 58 G HN 0.532 nan 8.290 nan 0.000 0.570 59 S N -0.768 114.464 115.700 -0.779 0.000 2.603 59 S HA 0.524 4.996 4.470 0.004 0.000 0.268 59 S C -0.266 174.103 174.600 -0.385 0.000 1.317 59 S CA -0.677 57.123 58.200 -0.667 0.000 1.012 59 S CB 1.788 64.461 63.200 -0.878 0.000 0.926 59 S HN 0.565 nan 8.310 nan 0.000 0.539 60 V N 1.444 121.274 119.914 -0.141 0.000 2.483 60 V HA 0.751 4.873 4.120 0.004 0.000 0.297 60 V C 0.536 176.898 176.094 0.446 0.000 1.027 60 V CA -0.282 62.178 62.300 0.266 0.000 0.855 60 V CB 1.417 33.417 31.823 0.295 0.000 0.995 60 V HN 1.199 nan 8.190 nan 0.000 0.424 61 G N 4.479 113.544 108.800 0.442 0.000 2.524 61 G HA2 0.854 4.816 3.960 0.004 0.000 0.310 61 G HA3 0.854 4.816 3.960 0.004 0.000 0.310 61 G C -1.296 173.794 174.900 0.317 0.000 1.279 61 G CA -0.580 44.710 45.100 0.317 0.000 0.974 61 G HN 0.583 nan 8.290 nan 0.000 0.484 62 I N 0.795 121.495 120.570 0.218 0.000 2.569 62 I HA 0.470 4.643 4.170 0.004 0.000 0.290 62 I C 0.329 176.527 176.117 0.136 0.000 1.088 62 I CA -0.945 60.484 61.300 0.214 0.000 1.047 62 I CB 2.639 40.726 38.000 0.145 0.000 1.237 62 I HN 0.614 nan 8.210 nan 0.000 0.421 63 G N 6.755 115.637 108.800 0.137 0.000 2.343 63 G HA2 0.683 4.645 3.960 0.004 0.000 0.319 63 G HA3 0.683 4.645 3.960 0.004 0.000 0.319 63 G C -0.748 174.207 174.900 0.092 0.000 1.126 63 G CA -0.281 44.877 45.100 0.097 0.000 0.889 63 G HN 0.308 nan 8.290 nan 0.000 0.457 64 I N 3.623 124.225 120.570 0.053 0.000 2.465 64 I HA 0.331 4.503 4.170 0.004 0.000 0.291 64 I C -2.243 173.890 176.117 0.026 0.000 1.014 64 I CA -3.327 57.995 61.300 0.036 0.000 1.093 64 I CB 2.289 40.277 38.000 -0.020 0.000 1.267 64 I HN 0.259 nan 8.210 nan 0.000 0.431 65 P HA 0.304 nan 4.420 nan 0.000 0.238 65 P C 0.215 177.525 177.300 0.016 0.000 1.794 65 P CA 0.366 63.486 63.100 0.034 0.000 1.088 65 P CB 0.502 32.229 31.700 0.045 0.000 1.923 66 G N 2.382 111.181 108.800 -0.002 0.000 2.512 66 G HA2 0.267 4.230 3.960 0.004 0.000 0.181 66 G HA3 0.267 4.230 3.960 0.004 0.000 0.181 66 G C -1.470 173.403 174.900 -0.044 0.000 1.173 66 G CA -0.588 44.508 45.100 -0.007 0.000 0.988 66 G HN 0.382 nan 8.290 nan 0.000 0.485 67 M N 2.563 122.142 119.600 -0.034 0.000 2.069 67 M HA 0.561 5.043 4.480 0.004 0.000 0.349 67 M C -1.837 174.351 176.300 -0.188 0.000 1.194 67 M CA -2.576 52.674 55.300 -0.083 0.000 1.081 67 M CB 1.629 34.266 32.600 0.061 0.000 1.500 67 M HN 0.103 nan 8.290 nan 0.000 0.438 68 P HA -0.065 nan 4.420 nan 0.000 0.216 68 P C -0.724 176.429 177.300 -0.244 0.000 1.153 68 P CA 1.091 63.965 63.100 -0.377 0.000 0.844 68 P CB 0.223 31.569 31.700 -0.591 0.000 0.787 69 E N -0.596 119.469 120.200 -0.226 0.000 2.404 69 E HA 0.189 4.542 4.350 0.004 0.000 0.298 69 E C -0.550 176.109 176.600 0.098 0.000 0.908 69 E CA -0.340 56.046 56.400 -0.024 0.000 0.808 69 E CB 0.888 30.616 29.700 0.047 0.000 1.380 69 E HN -0.045 nan 8.360 nan 0.000 0.392 70 T N 0.268 114.877 114.554 0.092 0.000 2.689 70 T HA 0.081 4.433 4.350 0.004 0.000 0.308 70 T C 1.215 175.980 174.700 0.109 0.000 1.021 70 T CA -0.024 62.157 62.100 0.136 0.000 0.973 70 T CB 1.053 70.024 68.868 0.171 0.000 1.113 70 T HN 0.618 nan 8.240 nan 0.000 0.522 71 E N 0.675 120.931 120.200 0.093 0.000 2.097 71 E HA -0.254 4.098 4.350 0.004 0.000 0.196 71 E C 1.452 178.085 176.600 0.055 0.000 1.000 71 E CA 1.858 58.298 56.400 0.067 0.000 0.804 71 E CB -0.280 29.450 29.700 0.050 0.000 0.740 71 E HN 0.846 nan 8.360 nan 0.000 0.454 72 D N -1.641 118.792 120.400 0.054 0.000 2.349 72 D HA 0.026 4.668 4.640 0.004 0.000 0.224 72 D C 1.218 177.535 176.300 0.028 0.000 1.029 72 D CA 0.906 54.929 54.000 0.038 0.000 0.879 72 D CB 0.361 41.183 40.800 0.036 0.000 0.906 72 D HN 0.371 nan 8.370 nan 0.000 0.528 73 G N -0.854 107.966 108.800 0.033 0.000 2.179 73 G HA2 -0.220 3.743 3.960 0.004 0.000 0.220 73 G HA3 -0.220 3.743 3.960 0.004 0.000 0.220 73 G C 0.281 175.165 174.900 -0.026 0.000 0.990 73 G CA 0.105 45.215 45.100 0.016 0.000 0.646 73 G HN 0.433 nan 8.290 nan 0.000 0.517 74 T N 1.211 115.738 114.554 -0.045 0.000 2.897 74 T HA 0.550 4.903 4.350 0.004 0.000 0.294 74 T C 0.402 174.953 174.700 -0.248 0.000 1.004 74 T CA -0.008 61.986 62.100 -0.178 0.000 1.106 74 T CB 2.200 70.954 68.868 -0.190 0.000 0.949 74 T HN 0.575 nan 8.240 nan 0.000 0.520 75 L N 3.322 124.308 121.223 -0.396 0.000 2.357 75 L HA 0.594 4.936 4.340 0.004 0.000 0.273 75 L C -1.552 174.948 176.870 -0.617 0.000 1.080 75 L CA -0.719 53.911 54.840 -0.350 0.000 0.803 75 L CB 0.629 42.533 42.059 -0.259 0.000 1.174 75 L HN 0.644 nan 8.230 nan 0.000 0.443 76 Y N 3.519 123.756 120.300 -0.105 0.000 2.354 76 Y HA 0.708 5.260 4.550 0.005 0.000 0.330 76 Y C -0.277 175.570 175.900 -0.087 0.000 1.011 76 Y CA -0.669 57.374 58.100 -0.095 0.000 1.099 76 Y CB 2.169 40.583 38.460 -0.076 0.000 1.179 76 Y HN 0.642 nan 8.280 nan 0.000 0.442 77 A N 1.453 124.304 122.820 0.051 0.000 2.466 77 A HA 0.694 5.017 4.320 0.004 0.000 0.284 77 A C 0.385 177.976 177.584 0.013 0.000 1.049 77 A CA -0.053 51.994 52.037 0.017 0.000 0.760 77 A CB 0.794 19.785 19.000 -0.017 0.000 1.274 77 A HN 0.952 nan 8.150 nan 0.000 0.412 78 A N 2.245 125.074 122.820 0.015 0.000 1.873 78 A HA -0.178 4.145 4.320 0.004 0.000 0.218 78 A C 1.409 178.988 177.584 -0.009 0.000 1.193 78 A CA 2.197 54.234 52.037 0.001 0.000 0.629 78 A CB -0.462 18.534 19.000 -0.005 0.000 0.826 78 A HN 0.745 nan 8.150 nan 0.000 0.447 79 N N -0.627 118.076 118.700 0.005 0.000 2.461 79 N HA 0.085 4.828 4.740 0.004 0.000 0.188 79 N C -0.231 175.324 175.510 0.076 0.000 1.134 79 N CA 0.532 53.591 53.050 0.014 0.000 0.878 79 N CB 0.551 39.060 38.487 0.038 0.000 0.972 79 N HN 0.224 nan 8.380 nan 0.000 0.456 80 V N 2.029 121.970 119.914 0.046 0.000 2.454 80 V HA 0.183 4.305 4.120 0.004 0.000 0.255 80 V C -1.623 174.444 176.094 -0.044 0.000 1.009 80 V CA -1.039 61.286 62.300 0.042 0.000 1.149 80 V CB 1.522 33.320 31.823 -0.041 0.000 1.418 80 V HN -0.049 nan 8.190 nan 0.000 0.567 81 P HA -0.171 nan 4.420 nan 0.000 0.216 81 P C 1.703 178.968 177.300 -0.059 0.000 1.150 81 P CA 1.819 64.906 63.100 -0.022 0.000 0.837 81 P CB 0.425 32.122 31.700 -0.005 0.000 0.786 82 A N 0.343 123.150 122.820 -0.021 0.000 1.978 82 A HA -0.074 4.248 4.320 0.004 0.000 0.220 82 A C 2.338 179.812 177.584 -0.184 0.000 1.170 82 A CA 2.296 54.306 52.037 -0.044 0.000 0.636 82 A CB -1.341 17.692 19.000 0.055 0.000 0.810 82 A HN 0.284 nan 8.150 nan 0.000 0.448 83 A N -1.155 121.401 122.820 -0.440 0.000 2.197 83 A HA 0.413 4.736 4.320 0.004 0.000 0.210 83 A C 1.164 178.475 177.584 -0.456 0.000 1.180 83 A CA 0.387 52.121 52.037 -0.506 0.000 0.846 83 A CB -0.169 18.339 19.000 -0.819 0.000 0.884 83 A HN 0.300 nan 8.150 nan 0.000 0.487 84 S N -0.164 115.330 115.700 -0.342 0.000 2.549 84 S HA 0.409 4.882 4.470 0.004 0.000 0.286 84 S C 1.345 175.696 174.600 -0.415 0.000 1.314 84 S CA 0.718 58.722 58.200 -0.326 0.000 1.062 84 S CB 0.653 63.778 63.200 -0.125 0.000 0.865 84 S HN 1.525 nan 8.310 nan 0.000 0.498 85 G N 2.045 110.416 108.800 -0.714 0.000 2.176 85 G HA2 -0.193 3.770 3.960 0.004 0.000 0.253 85 G HA3 -0.193 3.770 3.960 0.004 0.000 0.253 85 G C -0.142 174.466 174.900 -0.487 0.000 0.979 85 G CA -0.133 44.613 45.100 -0.590 0.000 0.641 85 G HN 0.522 nan 8.290 nan 0.000 0.530 86 K N 0.429 120.498 120.400 -0.551 0.000 2.208 86 K HA 0.525 4.848 4.320 0.004 0.000 0.247 86 K C -2.637 173.777 176.600 -0.310 0.000 0.953 86 K CA -2.110 53.868 56.287 -0.515 0.000 0.837 86 K CB 2.390 34.260 32.500 -1.050 0.000 1.131 86 K HN -0.003 nan 8.250 nan 0.000 0.431 87 P HA 0.047 nan 4.420 nan 0.000 0.230 87 P C 0.803 178.124 177.300 0.035 0.000 1.791 87 P CA -0.214 62.853 63.100 -0.055 0.000 1.020 87 P CB 0.048 31.740 31.700 -0.014 0.000 1.977 88 L N 2.535 123.773 121.223 0.026 0.000 1.990 88 L HA -0.187 4.156 4.340 0.004 0.000 0.213 88 L C 2.660 179.588 176.870 0.097 0.000 1.072 88 L CA 2.008 56.928 54.840 0.133 0.000 0.755 88 L CB -0.732 41.387 42.059 0.100 0.000 0.889 88 L HN 0.055 nan 8.230 nan 0.000 0.432 89 R N -0.810 119.721 120.500 0.052 0.000 2.083 89 R HA -0.196 4.147 4.340 0.004 0.000 0.237 89 R C 2.143 178.477 176.300 0.057 0.000 1.137 89 R CA 1.621 57.753 56.100 0.054 0.000 0.951 89 R CB -0.463 29.865 30.300 0.046 0.000 0.851 89 R HN 0.521 nan 8.270 nan 0.000 0.434 90 A N 1.027 123.878 122.820 0.052 0.000 1.902 90 A HA -0.171 4.152 4.320 0.004 0.000 0.217 90 A C 1.692 179.307 177.584 0.053 0.000 1.181 90 A CA 1.847 53.914 52.037 0.049 0.000 0.623 90 A CB -0.498 18.527 19.000 0.041 0.000 0.818 90 A HN 0.405 nan 8.150 nan 0.000 0.443 91 D N 0.006 120.451 120.400 0.074 0.000 2.117 91 D HA -0.084 4.559 4.640 0.004 0.000 0.198 91 D C 1.947 178.264 176.300 0.029 0.000 0.982 91 D CA 0.941 54.981 54.000 0.068 0.000 0.828 91 D CB -0.316 40.563 40.800 0.131 0.000 0.967 91 D HN 0.436 nan 8.370 nan 0.000 0.464 92 L N 0.490 121.734 121.223 0.036 0.000 2.093 92 L HA -0.109 4.234 4.340 0.004 0.000 0.208 92 L C 2.434 179.315 176.870 0.019 0.000 1.085 92 L CA 0.717 55.561 54.840 0.007 0.000 0.755 92 L CB -0.208 41.853 42.059 0.004 0.000 0.904 92 L HN -0.068 nan 8.230 nan 0.000 0.435 93 S N -0.080 115.642 115.700 0.036 0.000 2.382 93 S HA -0.144 4.329 4.470 0.004 0.000 0.228 93 S C 2.157 176.774 174.600 0.027 0.000 1.027 93 S CA 1.187 59.410 58.200 0.040 0.000 0.991 93 S CB -0.190 63.039 63.200 0.050 0.000 0.823 93 S HN 0.500 nan 8.310 nan 0.000 0.469 94 A N 1.924 124.758 122.820 0.024 0.000 1.897 94 A HA -0.036 4.287 4.320 0.004 0.000 0.215 94 A C 2.146 179.735 177.584 0.008 0.000 1.181 94 A CA 0.926 52.973 52.037 0.017 0.000 0.620 94 A CB -0.380 18.631 19.000 0.018 0.000 0.821 94 A HN 0.368 nan 8.150 nan 0.000 0.443 95 R N -0.574 119.927 120.500 0.001 0.000 2.081 95 R HA -0.007 4.336 4.340 0.004 0.000 0.235 95 R C 1.515 177.815 176.300 0.001 0.000 1.131 95 R CA 1.414 57.509 56.100 -0.008 0.000 0.960 95 R CB -0.408 29.874 30.300 -0.030 0.000 0.856 95 R HN 0.486 nan 8.270 nan 0.000 0.436 96 L N 0.323 121.551 121.223 0.009 0.000 2.592 96 L HA 0.075 4.418 4.340 0.004 0.000 0.227 96 L C 0.011 176.891 176.870 0.016 0.000 1.127 96 L CA -0.130 54.722 54.840 0.021 0.000 0.884 96 L CB -0.164 41.917 42.059 0.037 0.000 1.065 96 L HN 0.162 nan 8.230 nan 0.000 0.457 97 D N 1.997 122.404 120.400 0.012 0.000 2.686 97 D HA -0.222 4.421 4.640 0.004 0.000 0.235 97 D C 0.254 176.555 176.300 0.003 0.000 1.160 97 D CA 0.825 54.829 54.000 0.008 0.000 0.645 97 D CB -0.161 40.641 40.800 0.004 0.000 1.039 97 D HN 0.646 nan 8.370 nan 0.000 0.423 98 R N -1.193 119.313 120.500 0.010 0.000 2.728 98 R HA 0.458 4.801 4.340 0.004 0.000 0.274 98 R C -1.409 174.912 176.300 0.035 0.000 1.030 98 R CA -1.029 55.072 56.100 0.001 0.000 0.876 98 R CB 0.436 30.714 30.300 -0.037 0.000 1.259 98 R HN -0.054 nan 8.270 nan 0.000 0.468 99 D N 1.576 122.010 120.400 0.056 0.000 2.402 99 D HA 0.189 4.832 4.640 0.004 0.000 0.235 99 D C -0.515 175.908 176.300 0.205 0.000 1.226 99 D CA -0.169 53.907 54.000 0.126 0.000 0.918 99 D CB 0.843 41.740 40.800 0.163 0.000 1.043 99 D HN 0.384 nan 8.370 nan 0.000 0.506 100 V N 5.425 125.433 119.914 0.156 0.000 2.508 100 V HA 0.269 4.391 4.120 0.004 0.000 0.281 100 V C 0.936 177.134 176.094 0.172 0.000 1.041 100 V CA -0.160 62.253 62.300 0.188 0.000 1.016 100 V CB 0.753 32.644 31.823 0.113 0.000 0.984 100 V HN 0.422 nan 8.190 nan 0.000 0.478 101 R N 4.230 124.842 120.500 0.186 0.000 2.664 101 R HA 0.761 5.103 4.340 0.004 0.000 0.286 101 R C -1.511 174.833 176.300 0.074 0.000 0.967 101 R CA -0.852 55.280 56.100 0.054 0.000 0.933 101 R CB 1.685 31.892 30.300 -0.155 0.000 1.146 101 R HN 0.405 nan 8.270 nan 0.000 0.468 102 L N 0.996 122.257 121.223 0.063 0.000 2.370 102 L HA 0.531 4.874 4.340 0.004 0.000 0.266 102 L C -0.566 176.338 176.870 0.057 0.000 1.002 102 L CA -0.415 54.455 54.840 0.049 0.000 0.818 102 L CB 1.917 43.979 42.059 0.005 0.000 1.325 102 L HN 0.584 nan 8.230 nan 0.000 0.418 103 D N -0.337 120.087 120.400 0.040 0.000 2.615 103 D HA 0.299 4.942 4.640 0.004 0.000 0.267 103 D C -1.178 175.128 176.300 0.009 0.000 1.236 103 D CA -0.442 53.606 54.000 0.081 0.000 0.839 103 D CB 1.781 42.684 40.800 0.171 0.000 1.380 103 D HN 0.555 nan 8.370 nan 0.000 0.433 104 N N 0.035 118.759 118.700 0.040 0.000 2.408 104 N HA 0.117 4.860 4.740 0.004 0.000 0.260 104 N C 0.348 175.910 175.510 0.087 0.000 1.242 104 N CA 0.100 53.169 53.050 0.032 0.000 0.959 104 N CB 0.429 38.938 38.487 0.036 0.000 1.201 104 N HN 0.138 nan 8.380 nan 0.000 0.511 105 D N -0.002 120.446 120.400 0.081 0.000 2.123 105 D HA -0.110 4.533 4.640 0.004 0.000 0.196 105 D C 1.707 178.097 176.300 0.151 0.000 0.992 105 D CA 2.070 56.133 54.000 0.105 0.000 0.833 105 D CB -0.590 40.260 40.800 0.084 0.000 0.954 105 D HN 0.716 nan 8.370 nan 0.000 0.455 106 A N 0.808 123.712 122.820 0.140 0.000 1.898 106 A HA -0.178 4.144 4.320 0.004 0.000 0.216 106 A C 1.976 179.711 177.584 0.251 0.000 1.181 106 A CA 1.313 53.462 52.037 0.186 0.000 0.620 106 A CB -0.429 18.645 19.000 0.123 0.000 0.819 106 A HN 0.110 nan 8.150 nan 0.000 0.442 107 N N 0.017 118.830 118.700 0.187 0.000 2.120 107 N HA -0.137 4.605 4.740 0.004 0.000 0.188 107 N C 1.676 177.287 175.510 0.167 0.000 1.024 107 N CA 1.591 54.746 53.050 0.176 0.000 0.852 107 N CB -0.938 37.649 38.487 0.167 0.000 1.003 107 N HN 0.522 nan 8.380 nan 0.000 0.424 108 C N 0.530 119.924 119.300 0.156 0.000 2.425 108 C HA -0.088 4.375 4.460 0.004 0.000 0.277 108 C C 2.526 177.592 174.990 0.126 0.000 1.280 108 C CA 0.057 59.142 59.018 0.112 0.000 1.744 108 C CB -1.456 26.336 27.740 0.087 0.000 1.989 108 C HN 0.434 nan 8.230 nan 0.000 0.491 109 F N 2.700 122.694 119.950 0.075 0.000 2.095 109 F HA -0.126 4.404 4.527 0.004 0.000 0.298 109 F C 2.303 178.176 175.800 0.122 0.000 1.104 109 F CA 1.773 59.828 58.000 0.091 0.000 1.232 109 F CB -0.673 38.383 39.000 0.095 0.000 0.987 109 F HN 0.141 nan 8.300 nan 0.000 0.475 110 A N 0.441 123.220 122.820 -0.069 0.000 1.902 110 A HA -0.138 4.184 4.320 0.004 0.000 0.217 110 A C 2.131 179.667 177.584 -0.081 0.000 1.181 110 A CA 1.686 53.623 52.037 -0.166 0.000 0.623 110 A CB -1.285 17.777 19.000 0.104 0.000 0.818 110 A HN 0.529 nan 8.150 nan 0.000 0.443 111 L N -0.102 121.151 121.223 0.050 0.000 2.056 111 L HA -0.096 4.247 4.340 0.004 0.000 0.207 111 L C 2.657 179.694 176.870 0.277 0.000 1.078 111 L CA 2.424 57.378 54.840 0.191 0.000 0.749 111 L CB -0.712 41.478 42.059 0.219 0.000 0.901 111 L HN 0.395 nan 8.230 nan 0.000 0.433 112 S N -0.835 114.921 115.700 0.092 0.000 2.359 112 S HA -0.214 4.259 4.470 0.004 0.000 0.224 112 S C 1.929 176.574 174.600 0.074 0.000 1.035 112 S CA 1.574 59.802 58.200 0.046 0.000 1.018 112 S CB -0.347 62.789 63.200 -0.106 0.000 0.876 112 S HN 0.571 nan 8.310 nan 0.000 0.448 113 E N 1.264 121.446 120.200 -0.030 0.000 2.072 113 E HA -0.008 4.345 4.350 0.004 0.000 0.191 113 E C 2.430 179.183 176.600 0.256 0.000 0.985 113 E CA 1.120 57.591 56.400 0.119 0.000 0.801 113 E CB -0.827 28.817 29.700 -0.093 0.000 0.750 113 E HN 0.645 nan 8.360 nan 0.000 0.452 114 A N 0.004 122.894 122.820 0.116 0.000 2.070 114 A HA -0.146 4.176 4.320 0.004 0.000 0.220 114 A C 1.551 179.084 177.584 -0.085 0.000 1.159 114 A CA 0.842 52.897 52.037 0.029 0.000 0.656 114 A CB -0.829 18.119 19.000 -0.086 0.000 0.800 114 A HN 0.293 nan 8.150 nan 0.000 0.453 115 W N 0.030 121.356 121.300 0.043 0.000 3.316 115 W HA 0.239 4.902 4.660 0.005 0.000 0.327 115 W C 0.215 176.669 176.519 -0.108 0.000 1.232 115 W CA -0.404 56.880 57.345 -0.102 0.000 1.805 115 W CB 0.032 29.295 29.460 -0.329 0.000 1.090 115 W HN 0.305 nan 8.180 nan 0.000 0.654 116 D N 0.549 121.028 120.400 0.132 0.000 2.488 116 D HA -0.120 4.523 4.640 0.004 0.000 0.238 116 D C 1.417 177.693 176.300 -0.041 0.000 1.138 116 D CA 0.816 54.839 54.000 0.039 0.000 0.873 116 D CB 0.925 41.644 40.800 -0.135 0.000 1.183 116 D HN -0.113 nan 8.370 nan 0.000 0.458 117 D N 2.543 122.924 120.400 -0.031 0.000 2.157 117 D HA -0.244 4.398 4.640 0.004 0.000 0.191 117 D C 1.420 177.673 176.300 -0.077 0.000 1.004 117 D CA 1.255 55.233 54.000 -0.038 0.000 0.854 117 D CB -0.019 40.767 40.800 -0.023 0.000 0.936 117 D HN 0.721 nan 8.370 nan 0.000 0.446 118 E N -0.941 119.165 120.200 -0.157 0.000 2.152 118 E HA -0.124 4.228 4.350 0.004 0.000 0.192 118 E C 1.522 178.182 176.600 0.100 0.000 0.983 118 E CA 0.480 56.822 56.400 -0.096 0.000 0.818 118 E CB 0.043 29.646 29.700 -0.161 0.000 0.758 118 E HN 0.154 nan 8.360 nan 0.000 0.467 119 F N 0.424 120.410 119.950 0.059 0.000 2.743 119 F HA 0.018 4.547 4.527 0.004 0.000 0.297 119 F C 2.491 178.264 175.800 -0.044 0.000 1.131 119 F CA 1.157 59.235 58.000 0.130 0.000 1.426 119 F CB -0.928 38.151 39.000 0.131 0.000 1.116 119 F HN 0.074 nan 8.300 nan 0.000 0.583 120 T N -1.208 113.336 114.554 -0.018 0.000 2.929 120 T HA -0.253 4.100 4.350 0.004 0.000 0.271 120 T C 1.671 176.228 174.700 -0.237 0.000 1.085 120 T CA 1.265 63.218 62.100 -0.245 0.000 1.125 120 T CB -0.707 67.985 68.868 -0.294 0.000 0.874 120 T HN 0.560 nan 8.240 nan 0.000 0.494 121 Q N -0.066 119.578 119.800 -0.261 0.000 2.364 121 Q HA -0.054 4.288 4.340 0.004 0.000 0.207 121 Q C -0.275 175.460 176.000 -0.442 0.000 0.970 121 Q CA 0.522 56.096 55.803 -0.382 0.000 0.888 121 Q CB -0.652 27.784 28.738 -0.504 0.000 0.951 121 Q HN 0.630 nan 8.270 nan 0.000 0.469 122 Y N 1.280 121.539 120.300 -0.069 0.000 2.383 122 Y HA 0.271 4.823 4.550 0.004 0.000 0.344 122 Y C -1.620 174.211 175.900 -0.115 0.000 0.986 122 Y CA -2.821 55.228 58.100 -0.085 0.000 1.175 122 Y CB 1.114 39.516 38.460 -0.098 0.000 1.152 122 Y HN -0.010 nan 8.280 nan 0.000 0.511 123 P HA -0.162 nan 4.420 nan 0.000 0.215 123 P C -0.280 177.009 177.300 -0.017 0.000 1.157 123 P CA 1.062 64.149 63.100 -0.021 0.000 0.868 123 P CB 0.410 32.102 31.700 -0.014 0.000 0.788 124 L N -0.218 121.007 121.223 0.004 0.000 2.294 124 L HA 0.380 4.722 4.340 0.004 0.000 0.283 124 L C -1.031 175.818 176.870 -0.035 0.000 1.015 124 L CA -0.598 54.234 54.840 -0.013 0.000 0.831 124 L CB 1.239 43.293 42.059 -0.009 0.000 1.217 124 L HN -0.338 nan 8.230 nan 0.000 0.420 125 V N 6.254 126.145 119.914 -0.039 0.000 2.448 125 V HA 0.486 4.609 4.120 0.004 0.000 0.295 125 V C -0.013 176.065 176.094 -0.025 0.000 1.025 125 V CA -0.523 61.733 62.300 -0.074 0.000 0.859 125 V CB 1.696 33.472 31.823 -0.079 0.000 0.988 125 V HN 0.864 nan 8.190 nan 0.000 0.431 126 M N 4.295 123.870 119.600 -0.042 0.000 2.149 126 M HA 0.715 5.197 4.480 0.004 0.000 0.342 126 M C 0.172 176.506 176.300 0.056 0.000 1.068 126 M CA -0.254 55.071 55.300 0.041 0.000 0.991 126 M CB 1.119 33.696 32.600 -0.038 0.000 1.596 126 M HN 0.766 nan 8.290 nan 0.000 0.439 127 G N 5.027 113.944 108.800 0.196 0.000 2.335 127 G HA2 0.570 4.533 3.960 0.004 0.000 0.316 127 G HA3 0.570 4.533 3.960 0.004 0.000 0.316 127 G C -1.886 173.292 174.900 0.464 0.000 1.129 127 G CA -0.526 44.773 45.100 0.331 0.000 0.899 127 G HN 0.655 nan 8.290 nan 0.000 0.448 128 L N 3.389 124.837 121.223 0.375 0.000 2.349 128 L HA 0.652 4.994 4.340 0.004 0.000 0.278 128 L C -0.685 176.246 176.870 0.102 0.000 0.996 128 L CA -0.843 54.124 54.840 0.212 0.000 0.825 128 L CB 1.496 43.562 42.059 0.012 0.000 1.243 128 L HN 0.441 nan 8.230 nan 0.000 0.412 129 I N 6.331 126.900 120.570 -0.003 0.000 2.339 129 I HA 0.342 4.514 4.170 0.004 0.000 0.290 129 I C -0.747 175.333 176.117 -0.061 0.000 0.994 129 I CA -0.387 60.792 61.300 -0.201 0.000 1.191 129 I CB 1.256 39.063 38.000 -0.322 0.000 1.343 129 I HN 0.441 nan 8.210 nan 0.000 0.458 130 L N 6.955 128.151 121.223 -0.045 0.000 2.337 130 L HA 0.655 4.997 4.340 0.004 0.000 0.269 130 L C 0.476 177.334 176.870 -0.019 0.000 1.018 130 L CA -0.083 54.767 54.840 0.017 0.000 0.876 130 L CB 1.002 43.108 42.059 0.080 0.000 1.236 130 L HN 0.848 nan 8.230 nan 0.000 0.436 131 G N 0.439 109.227 108.800 -0.021 0.000 3.400 131 G HA2 0.086 4.049 3.960 0.004 0.000 0.167 131 G HA3 0.086 4.049 3.960 0.004 0.000 0.167 131 G C 0.540 175.430 174.900 -0.017 0.000 1.196 131 G CA 0.292 45.369 45.100 -0.038 0.000 1.174 131 G HN 0.226 nan 8.290 nan 0.000 0.681 132 T N 0.584 115.126 114.554 -0.019 0.000 2.720 132 T HA 0.200 4.552 4.350 0.004 0.000 0.268 132 T C 1.179 175.881 174.700 0.004 0.000 1.037 132 T CA 1.942 64.039 62.100 -0.005 0.000 1.144 132 T CB -0.443 68.421 68.868 -0.005 0.000 0.864 132 T HN 0.766 nan 8.240 nan 0.000 0.444 133 G N -0.517 108.284 108.800 0.001 0.000 3.222 133 G HA2 0.592 4.555 3.960 0.004 0.000 0.263 133 G HA3 0.592 4.555 3.960 0.004 0.000 0.263 133 G C -1.668 173.235 174.900 0.004 0.000 1.312 133 G CA -0.483 44.620 45.100 0.005 0.000 0.934 133 G HN 0.145 nan 8.290 nan 0.000 0.577 134 V N -0.196 119.715 119.914 -0.005 0.000 2.588 134 V HA 0.890 5.013 4.120 0.004 0.000 0.304 134 V C 0.545 176.660 176.094 0.035 0.000 1.042 134 V CA 0.471 62.782 62.300 0.019 0.000 0.877 134 V CB 1.149 32.985 31.823 0.022 0.000 0.996 134 V HN 1.462 nan 8.190 nan 0.000 0.425 135 G N 1.865 110.718 108.800 0.088 0.000 2.490 135 G HA2 0.864 4.827 3.960 0.004 0.000 0.308 135 G HA3 0.864 4.827 3.960 0.004 0.000 0.308 135 G C -0.438 174.583 174.900 0.201 0.000 1.286 135 G CA 0.404 45.567 45.100 0.106 0.000 0.825 135 G HN 1.440 nan 8.290 nan 0.000 0.479 136 G N -2.374 106.512 108.800 0.144 0.000 2.351 136 G HA2 0.745 4.707 3.960 0.004 0.000 0.279 136 G HA3 0.745 4.707 3.960 0.004 0.000 0.279 136 G C -0.375 174.630 174.900 0.175 0.000 1.297 136 G CA 0.649 45.929 45.100 0.301 0.000 0.886 136 G HN 2.200 nan 8.290 nan 0.000 0.493 137 G N -1.439 107.533 108.800 0.287 0.000 2.623 137 G HA2 0.680 4.642 3.960 0.004 0.000 0.290 137 G HA3 0.680 4.642 3.960 0.004 0.000 0.290 137 G C -1.757 173.269 174.900 0.211 0.000 1.437 137 G CA -0.713 44.480 45.100 0.156 0.000 0.798 137 G HN 0.884 nan 8.290 nan 0.000 0.488 138 L N 0.275 121.575 121.223 0.129 0.000 2.365 138 L HA 0.716 5.059 4.340 0.004 0.000 0.273 138 L C -0.602 176.311 176.870 0.072 0.000 1.000 138 L CA -1.146 53.765 54.840 0.118 0.000 0.819 138 L CB 2.234 44.356 42.059 0.105 0.000 1.284 138 L HN 0.281 nan 8.230 nan 0.000 0.418 139 V N 3.846 123.790 119.914 0.051 0.000 2.540 139 V HA 0.485 4.607 4.120 0.004 0.000 0.302 139 V C -0.766 175.329 176.094 0.002 0.000 1.035 139 V CA -0.578 61.742 62.300 0.032 0.000 0.873 139 V CB 2.408 34.246 31.823 0.024 0.000 0.992 139 V HN 0.457 nan 8.190 nan 0.000 0.428 140 L N 4.990 126.215 121.223 0.002 0.000 2.376 140 L HA 0.657 5.000 4.340 0.004 0.000 0.275 140 L C 0.281 177.135 176.870 -0.027 0.000 0.987 140 L CA 0.188 55.020 54.840 -0.013 0.000 0.828 140 L CB 1.289 43.347 42.059 -0.001 0.000 1.249 140 L HN 0.678 nan 8.230 nan 0.000 0.409 141 N N 4.341 123.001 118.700 -0.067 0.000 2.727 141 N HA -0.213 4.529 4.740 0.004 0.000 0.249 141 N C 0.952 176.397 175.510 -0.107 0.000 1.048 141 N CA 1.326 54.318 53.050 -0.096 0.000 0.714 141 N CB -1.147 37.314 38.487 -0.043 0.000 0.959 141 N HN 1.262 nan 8.380 nan 0.000 0.544 142 G N -1.037 107.645 108.800 -0.197 0.000 2.148 142 G HA2 -0.360 3.603 3.960 0.004 0.000 0.254 142 G HA3 -0.360 3.603 3.960 0.004 0.000 0.254 142 G C -0.031 175.042 174.900 0.289 0.000 0.981 142 G CA 0.952 45.966 45.100 -0.143 0.000 0.670 142 G HN 0.711 nan 8.290 nan 0.000 0.528 143 K N 0.621 121.108 120.400 0.145 0.000 2.397 143 K HA 0.612 4.935 4.320 0.004 0.000 0.253 143 K C -2.784 173.874 176.600 0.097 0.000 0.932 143 K CA -2.389 53.985 56.287 0.145 0.000 0.795 143 K CB 2.417 34.976 32.500 0.098 0.000 1.159 143 K HN -0.041 nan 8.250 nan 0.000 0.424 144 P HA 0.127 nan 4.420 nan 0.000 0.271 144 P C -0.720 176.602 177.300 0.037 0.000 1.218 144 P CA -0.107 63.040 63.100 0.079 0.000 0.780 144 P CB 0.523 32.282 31.700 0.099 0.000 0.901 145 I N 2.248 122.831 120.570 0.022 0.000 2.291 145 I HA 0.078 4.251 4.170 0.004 0.000 0.292 145 I C 1.640 177.729 176.117 -0.048 0.000 1.064 145 I CA -0.008 61.284 61.300 -0.013 0.000 1.269 145 I CB 0.767 38.764 38.000 -0.004 0.000 1.418 145 I HN 0.435 nan 8.210 nan 0.000 0.485 146 T N 1.921 116.404 114.554 -0.118 0.000 3.014 146 T HA 0.248 4.601 4.350 0.004 0.000 0.263 146 T C 1.064 175.600 174.700 -0.273 0.000 1.078 146 T CA 0.409 62.358 62.100 -0.250 0.000 1.135 146 T CB 0.072 68.587 68.868 -0.588 0.000 0.895 146 T HN 0.885 nan 8.240 nan 0.000 0.480 147 G N 0.914 109.594 108.800 -0.200 0.000 2.829 147 G HA2 -0.254 3.709 3.960 0.004 0.000 0.628 147 G HA3 -0.254 3.709 3.960 0.004 0.000 0.628 147 G C 0.279 175.066 174.900 -0.189 0.000 1.412 147 G CA 0.177 45.186 45.100 -0.152 0.000 0.864 147 G HN 0.450 nan 8.290 nan 0.000 0.544 148 Q N -0.828 118.905 119.800 -0.112 0.000 2.135 148 Q HA -0.042 4.301 4.340 0.004 0.000 0.204 148 Q C 1.741 177.696 176.000 -0.075 0.000 0.981 148 Q CA 2.148 57.900 55.803 -0.085 0.000 0.856 148 Q CB -0.188 28.524 28.738 -0.042 0.000 0.902 148 Q HN 0.637 nan 8.270 nan 0.000 0.425 149 S N -0.978 114.692 115.700 -0.050 0.000 2.941 149 S HA 0.197 4.669 4.470 0.004 0.000 0.251 149 S C -1.214 173.491 174.600 0.175 0.000 1.029 149 S CA -0.480 57.760 58.200 0.067 0.000 1.062 149 S CB 0.389 63.623 63.200 0.055 0.000 0.977 149 S HN 0.477 nan 8.310 nan 0.000 0.552 150 Y N 0.018 120.316 120.300 -0.002 0.000 3.929 150 Y HA -0.259 4.294 4.550 0.005 0.000 0.225 150 Y C 0.876 176.765 175.900 -0.019 0.000 1.200 150 Y CA 0.287 58.385 58.100 -0.003 0.000 1.791 150 Y CB -2.292 36.175 38.460 0.011 0.000 1.561 150 Y HN 0.438 nan 8.280 nan 0.000 0.657 151 I N -1.298 119.295 120.570 0.039 0.000 3.645 151 I HA -0.031 4.142 4.170 0.004 0.000 0.300 151 I C 1.075 177.153 176.117 -0.064 0.000 1.260 151 I CA 0.365 61.662 61.300 -0.004 0.000 1.365 151 I CB 0.149 38.142 38.000 -0.013 0.000 1.077 151 I HN 0.096 nan 8.210 nan 0.000 0.439 152 T N 1.662 116.171 114.554 -0.075 0.000 2.905 152 T HA 0.161 4.513 4.350 0.004 0.000 0.299 152 T C 1.148 175.725 174.700 -0.205 0.000 1.024 152 T CA 1.179 63.209 62.100 -0.117 0.000 1.151 152 T CB 0.572 69.392 68.868 -0.081 0.000 0.987 152 T HN 0.662 nan 8.240 nan 0.000 0.535 153 G N 2.882 111.422 108.800 -0.433 0.000 2.157 153 G HA2 -0.214 3.748 3.960 0.004 0.000 0.248 153 G HA3 -0.214 3.748 3.960 0.004 0.000 0.248 153 G C 0.226 174.527 174.900 -0.999 0.000 0.979 153 G CA -0.389 44.131 45.100 -0.967 0.000 0.650 153 G HN 0.702 nan 8.290 nan 0.000 0.529 154 E N 0.661 120.557 120.200 -0.506 0.000 2.676 154 E HA 0.267 4.620 4.350 0.004 0.000 0.318 154 E C 1.171 177.680 176.600 -0.152 0.000 1.514 154 E CA -0.357 55.919 56.400 -0.206 0.000 1.667 154 E CB -0.602 29.094 29.700 -0.008 0.000 1.336 154 E HN 0.495 nan 8.360 nan 0.000 0.492 155 F N -0.002 119.975 119.950 0.044 0.000 2.269 155 F HA -0.073 4.457 4.527 0.004 0.000 0.301 155 F C 2.401 178.177 175.800 -0.040 0.000 1.082 155 F CA 1.011 59.016 58.000 0.008 0.000 1.360 155 F CB -0.745 38.256 39.000 0.002 0.000 1.041 155 F HN 0.312 nan 8.300 nan 0.000 0.512 156 G N -1.262 107.570 108.800 0.053 0.000 2.498 156 G HA2 -0.181 3.781 3.960 0.004 0.000 0.219 156 G HA3 -0.181 3.781 3.960 0.004 0.000 0.219 156 G C 1.110 175.765 174.900 -0.409 0.000 1.119 156 G CA 0.591 45.579 45.100 -0.186 0.000 0.766 156 G HN 0.431 nan 8.290 nan 0.000 0.552 157 H N -0.285 118.816 119.070 0.051 0.000 2.487 157 H HA 0.231 4.789 4.556 0.004 0.000 0.290 157 H C 0.791 176.138 175.328 0.032 0.000 1.081 157 H CA -0.170 55.894 56.048 0.028 0.000 1.116 157 H CB -0.116 29.648 29.762 0.002 0.000 1.560 157 H HN 0.475 nan 8.280 nan 0.000 0.548 158 M N -0.156 119.500 119.600 0.094 0.000 2.180 158 M HA 0.498 4.981 4.480 0.004 0.000 0.350 158 M C -0.157 176.172 176.300 0.049 0.000 1.125 158 M CA -1.004 54.342 55.300 0.076 0.000 1.031 158 M CB 1.751 34.402 32.600 0.085 0.000 1.623 158 M HN -0.295 nan 8.290 nan 0.000 0.451 159 R N 2.439 122.963 120.500 0.040 0.000 2.811 159 R HA 0.329 4.671 4.340 0.004 0.000 0.265 159 R C -0.512 175.783 176.300 -0.008 0.000 1.026 159 R CA -0.046 56.069 56.100 0.025 0.000 1.142 159 R CB 0.101 30.411 30.300 0.017 0.000 1.027 159 R HN 0.813 nan 8.270 nan 0.000 0.465 160 L N 4.893 126.096 121.223 -0.034 0.000 2.543 160 L HA 0.059 4.402 4.340 0.004 0.000 0.285 160 L C -1.496 175.317 176.870 -0.095 0.000 1.236 160 L CA -0.966 53.811 54.840 -0.105 0.000 0.871 160 L CB 0.082 42.038 42.059 -0.173 0.000 1.121 160 L HN 0.512 nan 8.230 nan 0.000 0.501 161 P HA 0.052 nan 4.420 nan 0.000 0.279 161 P C 0.792 178.015 177.300 -0.129 0.000 1.252 161 P CA -0.537 62.503 63.100 -0.100 0.000 0.811 161 P CB 1.218 32.854 31.700 -0.106 0.000 1.035 162 V N -0.724 119.130 119.914 -0.100 0.000 2.568 162 V HA -0.235 3.888 4.120 0.004 0.000 0.253 162 V C 1.598 177.591 176.094 -0.167 0.000 1.072 162 V CA 2.307 64.527 62.300 -0.133 0.000 1.084 162 V CB -1.746 30.053 31.823 -0.039 0.000 0.676 162 V HN 0.522 nan 8.190 nan 0.000 0.469 163 D N 1.900 122.231 120.400 -0.116 0.000 2.310 163 D HA -0.055 4.588 4.640 0.004 0.000 0.212 163 D C 1.930 178.122 176.300 -0.180 0.000 0.965 163 D CA 1.467 55.404 54.000 -0.106 0.000 0.879 163 D CB -0.270 40.501 40.800 -0.047 0.000 0.921 163 D HN 0.608 nan 8.370 nan 0.000 0.510 164 A N 0.600 123.277 122.820 -0.239 0.000 2.015 164 A HA 0.011 4.333 4.320 0.004 0.000 0.219 164 A C 2.375 179.746 177.584 -0.355 0.000 1.163 164 A CA 0.665 52.519 52.037 -0.305 0.000 0.646 164 A CB -0.627 18.185 19.000 -0.313 0.000 0.806 164 A HN 0.289 nan 8.150 nan 0.000 0.448 165 L N -1.243 119.739 121.223 -0.402 0.000 2.179 165 L HA -0.079 4.263 4.340 0.004 0.000 0.208 165 L C 2.650 179.258 176.870 -0.437 0.000 1.096 165 L CA 1.411 55.901 54.840 -0.584 0.000 0.779 165 L CB -0.876 40.488 42.059 -1.157 0.000 0.922 165 L HN 0.281 nan 8.230 nan 0.000 0.443 166 T N 0.732 115.135 114.554 -0.252 0.000 2.720 166 T HA -0.207 4.146 4.350 0.004 0.000 0.268 166 T C 1.839 176.536 174.700 -0.006 0.000 1.037 166 T CA 1.582 63.709 62.100 0.046 0.000 1.144 166 T CB -0.212 68.704 68.868 0.081 0.000 0.864 166 T HN 0.149 nan 8.240 nan 0.000 0.444 167 L N 0.422 121.586 121.223 -0.099 0.000 2.027 167 L HA 0.069 4.411 4.340 0.004 0.000 0.206 167 L C 1.961 178.749 176.870 -0.135 0.000 1.074 167 L CA 1.771 56.547 54.840 -0.108 0.000 0.745 167 L CB -0.422 41.540 42.059 -0.162 0.000 0.898 167 L HN 0.135 nan 8.230 nan 0.000 0.433 168 M N -0.517 118.931 119.600 -0.253 0.000 2.510 168 M HA 0.395 4.878 4.480 0.004 0.000 0.256 168 M C 0.922 177.188 176.300 -0.057 0.000 1.132 168 M CA 0.739 55.861 55.300 -0.297 0.000 1.105 168 M CB -1.117 30.896 32.600 -0.979 0.000 1.375 168 M HN 0.326 nan 8.290 nan 0.000 0.477 169 G N 0.173 108.974 108.800 0.002 0.000 2.674 169 G HA2 -0.138 3.825 3.960 0.004 0.000 0.686 169 G HA3 -0.138 3.825 3.960 0.004 0.000 0.686 169 G C -0.320 174.682 174.900 0.170 0.000 1.195 169 G CA -0.961 44.234 45.100 0.158 0.000 0.776 169 G HN 0.147 nan 8.290 nan 0.000 0.654 170 F N 0.693 120.689 119.950 0.077 0.000 2.604 170 F HA 0.086 4.616 4.527 0.004 0.000 0.298 170 F C 2.361 178.227 175.800 0.109 0.000 1.131 170 F CA 1.452 59.501 58.000 0.082 0.000 1.457 170 F CB 0.252 39.282 39.000 0.050 0.000 1.095 170 F HN 0.576 nan 8.300 nan 0.000 0.574 171 D N -1.211 119.344 120.400 0.259 0.000 2.349 171 D HA -0.094 4.548 4.640 0.004 0.000 0.214 171 D C 0.547 176.985 176.300 0.231 0.000 1.063 171 D CA -0.295 53.826 54.000 0.202 0.000 0.847 171 D CB -1.045 39.852 40.800 0.162 0.000 0.933 171 D HN 0.076 nan 8.370 nan 0.000 0.513 172 F N 2.757 122.753 119.950 0.077 0.000 2.602 172 F HA 0.203 4.733 4.527 0.004 0.000 0.385 172 F C -1.977 173.876 175.800 0.089 0.000 1.063 172 F CA -2.253 55.793 58.000 0.077 0.000 1.233 172 F CB 0.221 39.226 39.000 0.008 0.000 1.067 172 F HN -0.217 nan 8.300 nan 0.000 0.564 173 P HA 0.054 nan 4.420 nan 0.000 0.264 173 P C -0.788 176.364 177.300 -0.247 0.000 1.193 173 P CA 0.227 63.211 63.100 -0.193 0.000 0.763 173 P CB 0.350 31.996 31.700 -0.090 0.000 0.810 174 L N 4.617 125.784 121.223 -0.094 0.000 2.282 174 L HA 0.308 4.651 4.340 0.004 0.000 0.287 174 L C 1.002 177.811 176.870 -0.102 0.000 1.075 174 L CA -0.379 54.444 54.840 -0.028 0.000 0.839 174 L CB 0.091 42.148 42.059 -0.002 0.000 1.219 174 L HN 0.267 nan 8.230 nan 0.000 0.434 175 R N 2.641 123.011 120.500 -0.216 0.000 2.438 175 R HA 0.259 4.602 4.340 0.004 0.000 0.287 175 R C 0.160 176.322 176.300 -0.230 0.000 1.077 175 R CA -0.583 55.291 56.100 -0.378 0.000 1.034 175 R CB 0.907 30.713 30.300 -0.824 0.000 0.993 175 R HN 0.481 nan 8.270 nan 0.000 0.459 176 R N 1.826 122.219 120.500 -0.177 0.000 2.442 176 R HA 0.047 4.390 4.340 0.004 0.000 0.291 176 R C -0.327 175.902 176.300 -0.117 0.000 1.069 176 R CA -0.091 55.943 56.100 -0.110 0.000 1.022 176 R CB 0.584 30.838 30.300 -0.077 0.000 0.976 176 R HN 0.596 nan 8.270 nan 0.000 0.443 177 C N 3.002 122.264 119.300 -0.064 0.000 2.351 177 C HA 0.450 4.912 4.460 0.004 0.000 0.359 177 C C 2.132 177.116 174.990 -0.010 0.000 1.193 177 C CA -0.144 58.856 59.018 -0.030 0.000 2.270 177 C CB 0.715 28.486 27.740 0.052 0.000 2.369 177 C HN 1.006 nan 8.230 nan 0.000 0.553 178 G N 1.155 109.962 108.800 0.011 0.000 2.462 178 G HA2 -0.228 3.735 3.960 0.004 0.000 0.220 178 G HA3 -0.228 3.735 3.960 0.004 0.000 0.220 178 G C 1.505 176.394 174.900 -0.018 0.000 1.121 178 G CA 1.450 46.549 45.100 -0.001 0.000 0.758 178 G HN 1.155 nan 8.290 nan 0.000 0.559 179 C N -1.051 118.241 119.300 -0.014 0.000 2.472 179 C HA 0.504 4.967 4.460 0.004 0.000 0.278 179 C C 2.323 177.282 174.990 -0.051 0.000 1.447 179 C CA 0.160 59.126 59.018 -0.087 0.000 1.773 179 C CB -0.735 26.886 27.740 -0.198 0.000 1.793 179 C HN 1.207 nan 8.230 nan 0.000 0.544 180 G N -0.844 107.942 108.800 -0.024 0.000 2.218 180 G HA2 -0.131 3.832 3.960 0.004 0.000 0.216 180 G HA3 -0.131 3.832 3.960 0.004 0.000 0.216 180 G C -0.029 174.863 174.900 -0.013 0.000 0.994 180 G CA 0.126 45.212 45.100 -0.024 0.000 0.637 180 G HN 0.610 nan 8.290 nan 0.000 0.505 181 Q N 0.340 120.142 119.800 0.002 0.000 2.256 181 Q HA 0.641 4.984 4.340 0.004 0.000 0.232 181 Q C 0.428 176.430 176.000 0.004 0.000 0.965 181 Q CA -0.122 55.688 55.803 0.011 0.000 0.908 181 Q CB 0.754 29.512 28.738 0.033 0.000 1.209 181 Q HN 0.312 nan 8.270 nan 0.000 0.489 182 M N 0.397 120.000 119.600 0.004 0.000 2.129 182 M HA 0.314 4.796 4.480 0.004 0.000 0.348 182 M C 0.624 176.935 176.300 0.018 0.000 1.116 182 M CA -0.014 55.283 55.300 -0.005 0.000 1.022 182 M CB 0.499 33.094 32.600 -0.007 0.000 1.599 182 M HN 0.924 nan 8.290 nan 0.000 0.449 183 G N 2.450 111.270 108.800 0.033 0.000 2.144 183 G HA2 -0.179 3.783 3.960 0.004 0.000 0.218 183 G HA3 -0.179 3.783 3.960 0.004 0.000 0.218 183 G C 0.084 175.081 174.900 0.162 0.000 0.988 183 G CA -0.589 44.585 45.100 0.123 0.000 0.659 183 G HN 0.722 nan 8.290 nan 0.000 0.522 184 C N 1.133 120.495 119.300 0.102 0.000 2.634 184 C HA 0.324 4.786 4.460 0.004 0.000 0.417 184 C C 2.664 177.737 174.990 0.138 0.000 1.334 184 C CA 0.286 59.351 59.018 0.079 0.000 1.829 184 C CB -0.592 27.174 27.740 0.043 0.000 2.665 184 C HN 0.634 nan 8.230 nan 0.000 0.614 185 I N 0.633 121.264 120.570 0.102 0.000 2.614 185 I HA -0.122 4.050 4.170 0.004 0.000 0.258 185 I C 2.144 178.342 176.117 0.134 0.000 1.189 185 I CA 1.631 63.035 61.300 0.173 0.000 1.462 185 I CB -0.650 37.385 38.000 0.058 0.000 1.092 185 I HN 0.885 nan 8.210 nan 0.000 0.442 186 E N 2.271 122.451 120.200 -0.032 0.000 2.130 186 E HA -0.260 4.093 4.350 0.004 0.000 0.196 186 E C 1.331 177.899 176.600 -0.054 0.000 0.998 186 E CA 1.663 58.015 56.400 -0.081 0.000 0.806 186 E CB -0.072 29.480 29.700 -0.247 0.000 0.738 186 E HN 0.606 nan 8.360 nan 0.000 0.459 187 N N -0.715 117.890 118.700 -0.159 0.000 2.449 187 N HA -0.046 4.696 4.740 0.004 0.000 0.191 187 N C 0.095 175.268 175.510 -0.561 0.000 1.161 187 N CA 0.580 53.398 53.050 -0.387 0.000 0.863 187 N CB 0.291 38.460 38.487 -0.529 0.000 0.980 187 N HN 0.397 nan 8.380 nan 0.000 0.458 188 Y N -0.858 119.450 120.300 0.013 0.000 2.512 188 Y HA 0.316 4.869 4.550 0.005 0.000 0.268 188 Y C 1.847 177.926 175.900 0.299 0.000 1.102 188 Y CA -0.091 58.108 58.100 0.165 0.000 1.261 188 Y CB 0.480 39.036 38.460 0.160 0.000 1.250 188 Y HN -0.104 nan 8.280 nan 0.000 0.506 189 L N -0.229 121.209 121.223 0.360 0.000 2.556 189 L HA 0.168 4.511 4.340 0.004 0.000 0.226 189 L C 1.161 178.268 176.870 0.396 0.000 1.089 189 L CA 0.011 55.086 54.840 0.391 0.000 0.864 189 L CB -0.059 42.095 42.059 0.158 0.000 1.067 189 L HN 0.086 nan 8.230 nan 0.000 0.477 190 S N -0.080 115.766 115.700 0.242 0.000 2.606 190 S HA 0.158 4.631 4.470 0.004 0.000 0.257 190 S C 1.488 176.202 174.600 0.189 0.000 1.327 190 S CA 0.024 58.319 58.200 0.158 0.000 0.984 190 S CB 1.042 64.288 63.200 0.078 0.000 0.941 190 S HN 0.190 nan 8.310 nan 0.000 0.576 191 G N 0.399 109.250 108.800 0.084 0.000 2.440 191 G HA2 -0.187 3.776 3.960 0.004 0.000 0.218 191 G HA3 -0.187 3.776 3.960 0.004 0.000 0.218 191 G C 1.572 176.556 174.900 0.140 0.000 1.154 191 G CA 0.552 45.676 45.100 0.040 0.000 0.767 191 G HN 0.753 nan 8.290 nan 0.000 0.552 192 R N -0.051 120.521 120.500 0.121 0.000 2.092 192 R HA 0.024 4.367 4.340 0.004 0.000 0.231 192 R C 2.904 179.342 176.300 0.229 0.000 1.119 192 R CA 0.966 57.152 56.100 0.143 0.000 0.970 192 R CB -0.481 29.866 30.300 0.078 0.000 0.864 192 R HN 0.357 nan 8.270 nan 0.000 0.440 193 G N 0.328 109.265 108.800 0.229 0.000 2.418 193 G HA2 -0.302 3.660 3.960 0.004 0.000 0.217 193 G HA3 -0.302 3.660 3.960 0.004 0.000 0.217 193 G C 1.239 176.460 174.900 0.535 0.000 1.158 193 G CA 0.420 45.705 45.100 0.308 0.000 0.771 193 G HN 0.281 nan 8.290 nan 0.000 0.545 194 F N 2.346 122.496 119.950 0.334 0.000 2.069 194 F HA -0.033 4.497 4.527 0.004 0.000 0.298 194 F C 2.830 178.828 175.800 0.329 0.000 1.113 194 F CA 1.798 59.976 58.000 0.297 0.000 1.214 194 F CB -0.201 38.758 39.000 -0.067 0.000 0.978 194 F HN 0.227 nan 8.300 nan 0.000 0.474 195 A N -0.440 122.637 122.820 0.428 0.000 1.902 195 A HA -0.252 4.070 4.320 0.004 0.000 0.217 195 A C 2.054 179.795 177.584 0.261 0.000 1.181 195 A CA 1.504 53.687 52.037 0.243 0.000 0.623 195 A CB -1.882 17.235 19.000 0.195 0.000 0.818 195 A HN 0.786 nan 8.150 nan 0.000 0.443 196 W N 0.296 121.693 121.300 0.161 0.000 2.358 196 W HA -0.171 4.491 4.660 0.004 0.000 0.303 196 W C 1.661 178.318 176.519 0.230 0.000 1.208 196 W CA 1.776 59.209 57.345 0.146 0.000 1.274 196 W CB -0.297 29.199 29.460 0.061 0.000 1.138 196 W HN 0.282 nan 8.180 nan 0.000 0.515 197 L N 0.132 121.624 121.223 0.448 0.000 2.131 197 L HA -0.185 4.158 4.340 0.004 0.000 0.210 197 L C 2.327 179.324 176.870 0.213 0.000 1.092 197 L CA 2.088 57.132 54.840 0.341 0.000 0.759 197 L CB -1.470 40.973 42.059 0.639 0.000 0.903 197 L HN 0.272 nan 8.230 nan 0.000 0.435 198 Y N -0.024 120.251 120.300 -0.042 0.000 2.114 198 Y HA -0.310 4.243 4.550 0.004 0.000 0.284 198 Y C 2.832 178.709 175.900 -0.038 0.000 1.143 198 Y CA 2.317 60.300 58.100 -0.194 0.000 1.135 198 Y CB -0.271 37.863 38.460 -0.544 0.000 0.980 198 Y HN 0.377 nan 8.280 nan 0.000 0.499 199 Q N -1.082 118.761 119.800 0.073 0.000 2.135 199 Q HA -0.337 4.005 4.340 0.004 0.000 0.204 199 Q C 2.143 177.999 176.000 -0.240 0.000 0.981 199 Q CA 2.009 57.787 55.803 -0.042 0.000 0.856 199 Q CB -0.437 28.276 28.738 -0.041 0.000 0.902 199 Q HN 0.715 nan 8.270 nan 0.000 0.425 200 H N -1.041 117.704 119.070 -0.542 0.000 2.387 200 H HA -0.182 4.376 4.556 0.004 0.000 0.299 200 H C 1.071 176.116 175.328 -0.472 0.000 1.099 200 H CA 2.323 57.989 56.048 -0.637 0.000 1.315 200 H CB -0.104 29.056 29.762 -1.002 0.000 1.380 200 H HN 0.387 nan 8.280 nan 0.000 0.513 201 Y N -2.233 117.741 120.300 -0.543 0.000 2.436 201 Y HA 0.002 4.555 4.550 0.004 0.000 0.288 201 Y C 0.976 176.320 175.900 -0.927 0.000 1.112 201 Y CA 0.478 58.102 58.100 -0.793 0.000 1.220 201 Y CB 0.455 38.304 38.460 -1.018 0.000 1.073 201 Y HN 0.208 nan 8.280 nan 0.000 0.552 202 Y N -1.097 119.055 120.300 -0.245 0.000 2.481 202 Y HA 0.187 4.740 4.550 0.004 0.000 0.247 202 Y C 0.372 176.169 175.900 -0.172 0.000 1.151 202 Y CA -0.707 57.229 58.100 -0.274 0.000 1.238 202 Y CB 0.115 38.248 38.460 -0.545 0.000 1.179 202 Y HN -0.056 nan 8.280 nan 0.000 0.524 203 D N 1.616 121.977 120.400 -0.065 0.000 2.708 203 D HA -0.222 4.421 4.640 0.004 0.000 0.236 203 D C -0.675 175.650 176.300 0.042 0.000 1.146 203 D CA 0.942 54.922 54.000 -0.034 0.000 0.662 203 D CB -0.859 39.910 40.800 -0.051 0.000 1.059 203 D HN 0.509 nan 8.370 nan 0.000 0.428 204 Q N -0.716 119.151 119.800 0.112 0.000 2.347 204 Q HA 0.419 4.762 4.340 0.004 0.000 0.271 204 Q C -0.064 176.043 176.000 0.178 0.000 1.064 204 Q CA -0.658 55.240 55.803 0.158 0.000 0.800 204 Q CB 1.969 30.856 28.738 0.249 0.000 1.304 204 Q HN -0.005 nan 8.270 nan 0.000 0.438 205 S N 3.131 118.892 115.700 0.101 0.000 2.815 205 S HA 0.217 4.689 4.470 0.004 0.000 0.254 205 S C 0.076 174.700 174.600 0.041 0.000 1.197 205 S CA -0.274 57.971 58.200 0.076 0.000 1.216 205 S CB -0.576 62.655 63.200 0.053 0.000 0.871 205 S HN 0.419 nan 8.310 nan 0.000 0.473 206 L N 2.064 123.292 121.223 0.007 0.000 2.426 206 L HA 0.316 4.659 4.340 0.004 0.000 0.271 206 L C 0.741 177.555 176.870 -0.093 0.000 1.169 206 L CA -0.608 54.170 54.840 -0.104 0.000 0.836 206 L CB 0.358 42.238 42.059 -0.299 0.000 1.112 206 L HN 0.275 nan 8.230 nan 0.000 0.465 207 Q N 1.123 120.881 119.800 -0.070 0.000 2.249 207 Q HA 0.266 4.608 4.340 0.004 0.000 0.226 207 Q C 0.959 176.928 176.000 -0.052 0.000 0.983 207 Q CA 0.042 55.826 55.803 -0.032 0.000 0.930 207 Q CB 1.184 29.909 28.738 -0.022 0.000 1.193 207 Q HN 0.763 nan 8.270 nan 0.000 0.508 208 A N 2.297 125.114 122.820 -0.006 0.000 1.884 208 A HA -0.186 4.137 4.320 0.004 0.000 0.219 208 A C -0.637 176.834 177.584 -0.188 0.000 1.197 208 A CA 1.996 53.994 52.037 -0.066 0.000 0.637 208 A CB -1.749 17.091 19.000 -0.267 0.000 0.827 208 A HN 0.586 nan 8.150 nan 0.000 0.450 209 P HA -0.165 nan 4.420 nan 0.000 0.216 209 P C 1.114 178.331 177.300 -0.138 0.000 1.153 209 P CA 1.630 64.632 63.100 -0.163 0.000 0.858 209 P CB -0.136 31.499 31.700 -0.108 0.000 0.789 210 E N -0.707 119.419 120.200 -0.123 0.000 2.072 210 E HA -0.124 4.228 4.350 0.004 0.000 0.191 210 E C 2.026 178.534 176.600 -0.154 0.000 0.985 210 E CA 0.925 57.252 56.400 -0.121 0.000 0.801 210 E CB -0.562 29.064 29.700 -0.124 0.000 0.750 210 E HN 0.278 nan 8.360 nan 0.000 0.452 211 I N 0.944 121.389 120.570 -0.208 0.000 2.252 211 I HA -0.235 3.937 4.170 0.004 0.000 0.245 211 I C 2.345 178.415 176.117 -0.079 0.000 1.102 211 I CA 0.929 62.089 61.300 -0.233 0.000 1.385 211 I CB -0.165 37.668 38.000 -0.279 0.000 1.064 211 I HN 0.074 nan 8.210 nan 0.000 0.414 212 I N 0.845 121.307 120.570 -0.181 0.000 2.226 212 I HA -0.289 3.884 4.170 0.004 0.000 0.245 212 I C 2.835 178.936 176.117 -0.027 0.000 1.100 212 I CA 1.301 62.405 61.300 -0.326 0.000 1.374 212 I CB -0.469 37.128 38.000 -0.672 0.000 1.057 212 I HN 0.185 nan 8.210 nan 0.000 0.413 213 A N 1.052 123.852 122.820 -0.033 0.000 1.892 213 A HA -0.209 4.114 4.320 0.004 0.000 0.218 213 A C 2.290 179.924 177.584 0.083 0.000 1.188 213 A CA 1.643 53.698 52.037 0.030 0.000 0.631 213 A CB -0.960 18.035 19.000 -0.009 0.000 0.822 213 A HN 0.401 nan 8.150 nan 0.000 0.447 214 L N -2.861 118.402 121.223 0.067 0.000 2.083 214 L HA -0.193 4.149 4.340 0.004 0.000 0.209 214 L C 2.496 179.483 176.870 0.195 0.000 1.083 214 L CA 1.556 56.453 54.840 0.094 0.000 0.752 214 L CB -0.491 41.600 42.059 0.053 0.000 0.899 214 L HN 0.755 nan 8.230 nan 0.000 0.433 215 W N 1.479 122.810 121.300 0.052 0.000 2.355 215 W HA -0.214 4.449 4.660 0.004 0.000 0.309 215 W C 2.417 179.065 176.519 0.215 0.000 1.206 215 W CA 1.741 59.145 57.345 0.098 0.000 1.284 215 W CB -0.015 29.445 29.460 -0.000 0.000 1.145 215 W HN 0.073 nan 8.180 nan 0.000 0.502 216 E N -0.462 120.001 120.200 0.438 0.000 2.153 216 E HA -0.319 4.034 4.350 0.004 0.000 0.194 216 E C 2.003 178.650 176.600 0.079 0.000 0.988 216 E CA 1.586 58.147 56.400 0.268 0.000 0.811 216 E CB -0.383 29.503 29.700 0.310 0.000 0.746 216 E HN 0.581 nan 8.360 nan 0.000 0.466 217 Q N -0.413 119.433 119.800 0.076 0.000 2.365 217 Q HA 0.089 4.431 4.340 0.004 0.000 0.203 217 Q C 0.951 176.938 176.000 -0.021 0.000 0.929 217 Q CA 0.611 56.428 55.803 0.023 0.000 0.948 217 Q CB 0.522 29.276 28.738 0.028 0.000 1.043 217 Q HN 0.168 nan 8.270 nan 0.000 0.505 218 G N 1.528 110.305 108.800 -0.037 0.000 2.136 218 G HA2 -0.325 3.638 3.960 0.004 0.000 0.242 218 G HA3 -0.325 3.638 3.960 0.004 0.000 0.242 218 G C -0.380 174.453 174.900 -0.112 0.000 0.989 218 G CA 0.100 45.101 45.100 -0.165 0.000 0.682 218 G HN 0.634 nan 8.290 nan 0.000 0.522 219 D N -0.099 120.331 120.400 0.050 0.000 2.487 219 D HA 0.278 4.921 4.640 0.004 0.000 0.243 219 D C 1.377 177.736 176.300 0.098 0.000 1.154 219 D CA 0.612 54.648 54.000 0.061 0.000 0.876 219 D CB 0.449 41.299 40.800 0.084 0.000 1.161 219 D HN 0.403 nan 8.370 nan 0.000 0.478 220 E N 2.203 122.410 120.200 0.012 0.000 2.110 220 E HA -0.266 4.087 4.350 0.004 0.000 0.193 220 E C 1.471 178.112 176.600 0.069 0.000 0.988 220 E CA 1.178 57.592 56.400 0.023 0.000 0.804 220 E CB 0.196 29.887 29.700 -0.015 0.000 0.745 220 E HN 0.652 nan 8.360 nan 0.000 0.458 221 Q N -0.354 119.425 119.800 -0.036 0.000 2.079 221 Q HA -0.118 4.225 4.340 0.004 0.000 0.200 221 Q C 2.238 178.274 176.000 0.060 0.000 0.974 221 Q CA 1.166 56.819 55.803 -0.250 0.000 0.840 221 Q CB -0.106 28.196 28.738 -0.727 0.000 0.898 221 Q HN 0.333 nan 8.270 nan 0.000 0.430 222 A N 0.826 123.783 122.820 0.229 0.000 1.902 222 A HA -0.221 4.101 4.320 0.004 0.000 0.217 222 A C 1.752 179.631 177.584 0.491 0.000 1.181 222 A CA 1.369 53.650 52.037 0.407 0.000 0.623 222 A CB -0.789 18.420 19.000 0.347 0.000 0.818 222 A HN 0.397 nan 8.150 nan 0.000 0.443 223 H N -0.807 118.464 119.070 0.336 0.000 2.357 223 H HA -0.051 4.507 4.556 0.004 0.000 0.301 223 H C 2.552 178.055 175.328 0.291 0.000 1.082 223 H CA 1.371 57.626 56.048 0.345 0.000 1.342 223 H CB -0.096 29.729 29.762 0.104 0.000 1.389 223 H HN 0.553 nan 8.280 nan 0.000 0.511 224 A N 0.581 123.593 122.820 0.321 0.000 1.930 224 A HA -0.208 4.114 4.320 0.004 0.000 0.217 224 A C 2.111 179.811 177.584 0.194 0.000 1.175 224 A CA 1.804 53.978 52.037 0.228 0.000 0.627 224 A CB -0.698 18.439 19.000 0.228 0.000 0.815 224 A HN 0.512 nan 8.150 nan 0.000 0.443 225 H N -0.219 118.971 119.070 0.201 0.000 2.321 225 H HA -0.073 4.485 4.556 0.004 0.000 0.300 225 H C 1.757 177.134 175.328 0.082 0.000 1.087 225 H CA 2.141 58.265 56.048 0.127 0.000 1.319 225 H CB -0.312 29.604 29.762 0.258 0.000 1.379 225 H HN 0.095 nan 8.280 nan 0.000 0.501 226 V N 1.150 121.094 119.914 0.051 0.000 2.407 226 V HA -0.192 3.931 4.120 0.004 0.000 0.248 226 V C 2.344 178.491 176.094 0.089 0.000 1.055 226 V CA 2.007 64.344 62.300 0.061 0.000 1.049 226 V CB -0.365 31.592 31.823 0.224 0.000 0.662 226 V HN 0.481 nan 8.190 nan 0.000 0.455 227 E N 0.201 120.469 120.200 0.112 0.000 2.077 227 E HA -0.191 4.161 4.350 0.004 0.000 0.193 227 E C 2.400 178.999 176.600 -0.002 0.000 0.989 227 E CA 1.147 57.595 56.400 0.081 0.000 0.800 227 E CB -0.282 29.479 29.700 0.102 0.000 0.746 227 E HN 0.560 nan 8.360 nan 0.000 0.452 228 R N -0.348 120.107 120.500 -0.075 0.000 2.081 228 R HA -0.145 4.198 4.340 0.004 0.000 0.235 228 R C 2.399 178.624 176.300 -0.123 0.000 1.131 228 R CA 1.284 57.297 56.100 -0.145 0.000 0.960 228 R CB -0.470 29.668 30.300 -0.270 0.000 0.856 228 R HN 0.214 nan 8.270 nan 0.000 0.436 229 Y N 1.569 121.714 120.300 -0.259 0.000 2.128 229 Y HA -0.220 4.333 4.550 0.004 0.000 0.284 229 Y C 1.977 177.847 175.900 -0.049 0.000 1.154 229 Y CA 1.594 59.597 58.100 -0.162 0.000 1.149 229 Y CB -0.269 38.050 38.460 -0.236 0.000 0.976 229 Y HN -0.044 nan 8.280 nan 0.000 0.505 230 L N -0.194 121.069 121.223 0.065 0.000 2.083 230 L HA -0.226 4.117 4.340 0.004 0.000 0.209 230 L C 2.035 178.849 176.870 -0.093 0.000 1.083 230 L CA 1.453 56.292 54.840 -0.002 0.000 0.752 230 L CB -0.581 41.518 42.059 0.066 0.000 0.899 230 L HN 0.219 nan 8.230 nan 0.000 0.433 231 D N -0.125 120.226 120.400 -0.081 0.000 2.144 231 D HA -0.167 4.475 4.640 0.004 0.000 0.200 231 D C 2.042 178.243 176.300 -0.166 0.000 0.978 231 D CA 0.995 54.948 54.000 -0.079 0.000 0.833 231 D CB -0.065 40.698 40.800 -0.061 0.000 0.961 231 D HN 0.123 nan 8.370 nan 0.000 0.470 232 L N 0.524 121.606 121.223 -0.235 0.000 2.056 232 L HA -0.050 4.292 4.340 0.004 0.000 0.207 232 L C 2.036 178.715 176.870 -0.318 0.000 1.078 232 L CA 1.108 55.772 54.840 -0.294 0.000 0.749 232 L CB -0.654 41.234 42.059 -0.286 0.000 0.901 232 L HN -0.007 nan 8.230 nan 0.000 0.433 233 L N -0.019 120.974 121.223 -0.384 0.000 2.042 233 L HA -0.115 4.227 4.340 0.004 0.000 0.210 233 L C 2.486 179.219 176.870 -0.229 0.000 1.076 233 L CA 2.154 56.794 54.840 -0.333 0.000 0.749 233 L CB -1.153 40.685 42.059 -0.368 0.000 0.893 233 L HN 0.276 nan 8.230 nan 0.000 0.432 234 A N -1.278 121.428 122.820 -0.189 0.000 1.902 234 A HA -0.176 4.147 4.320 0.004 0.000 0.217 234 A C 2.427 179.835 177.584 -0.293 0.000 1.181 234 A CA 1.933 53.893 52.037 -0.127 0.000 0.623 234 A CB -1.281 17.733 19.000 0.023 0.000 0.818 234 A HN 0.337 nan 8.150 nan 0.000 0.443 235 V N -0.674 118.941 119.914 -0.498 0.000 2.358 235 V HA -0.259 3.864 4.120 0.004 0.000 0.246 235 V C 2.523 178.370 176.094 -0.413 0.000 1.047 235 V CA 2.358 64.192 62.300 -0.778 0.000 1.035 235 V CB -0.685 30.728 31.823 -0.684 0.000 0.658 235 V HN 0.709 nan 8.190 nan 0.000 0.452 236 C N -0.279 118.844 119.300 -0.295 0.000 2.429 236 C HA -0.097 4.365 4.460 0.004 0.000 0.277 236 C C 2.520 177.407 174.990 -0.173 0.000 1.262 236 C CA 1.102 59.999 59.018 -0.202 0.000 1.733 236 C CB -1.185 26.454 27.740 -0.169 0.000 2.010 236 C HN 0.569 nan 8.230 nan 0.000 0.483 237 L N 0.857 121.969 121.223 -0.184 0.000 2.093 237 L HA -0.038 4.305 4.340 0.004 0.000 0.208 237 L C 2.800 179.593 176.870 -0.128 0.000 1.085 237 L CA 1.518 56.259 54.840 -0.166 0.000 0.755 237 L CB -1.079 40.885 42.059 -0.157 0.000 0.904 237 L HN 0.518 nan 8.230 nan 0.000 0.435 238 G N 0.016 108.743 108.800 -0.121 0.000 2.469 238 G HA2 -0.308 3.654 3.960 0.004 0.000 0.219 238 G HA3 -0.308 3.654 3.960 0.004 0.000 0.219 238 G C 1.413 176.282 174.900 -0.052 0.000 1.150 238 G CA 0.926 45.997 45.100 -0.049 0.000 0.763 238 G HN 0.352 nan 8.290 nan 0.000 0.561 239 N N 0.461 119.114 118.700 -0.077 0.000 2.106 239 N HA -0.038 4.705 4.740 0.004 0.000 0.188 239 N C 2.345 177.833 175.510 -0.035 0.000 1.029 239 N CA 1.046 54.066 53.050 -0.049 0.000 0.848 239 N CB -0.142 38.311 38.487 -0.057 0.000 1.007 239 N HN 0.340 nan 8.380 nan 0.000 0.423 240 I N 1.480 122.017 120.570 -0.056 0.000 2.179 240 I HA -0.242 3.930 4.170 0.004 0.000 0.242 240 I C 2.170 178.256 176.117 -0.052 0.000 1.088 240 I CA 0.962 62.235 61.300 -0.046 0.000 1.357 240 I CB -0.280 37.638 38.000 -0.137 0.000 1.051 240 I HN 0.044 nan 8.210 nan 0.000 0.409 241 L N -0.053 121.121 121.223 -0.082 0.000 2.191 241 L HA -0.176 4.167 4.340 0.004 0.000 0.212 241 L C 2.516 179.364 176.870 -0.036 0.000 1.103 241 L CA 1.262 56.061 54.840 -0.069 0.000 0.769 241 L CB -0.903 41.109 42.059 -0.079 0.000 0.908 241 L HN 0.265 nan 8.230 nan 0.000 0.438 242 T N 0.465 115.004 114.554 -0.025 0.000 2.915 242 T HA -0.108 4.244 4.350 0.004 0.000 0.269 242 T C 1.780 176.478 174.700 -0.004 0.000 1.071 242 T CA 1.533 63.626 62.100 -0.012 0.000 1.132 242 T CB -0.108 68.756 68.868 -0.007 0.000 0.878 242 T HN 0.504 nan 8.240 nan 0.000 0.479 243 I N -1.630 118.942 120.570 0.003 0.000 3.035 243 I HA 0.139 4.312 4.170 0.004 0.000 0.271 243 I C 1.929 178.058 176.117 0.021 0.000 1.190 243 I CA 0.434 61.743 61.300 0.015 0.000 1.472 243 I CB -0.177 37.838 38.000 0.025 0.000 1.116 243 I HN -0.038 nan 8.210 nan 0.000 0.443 244 V N 1.097 121.023 119.914 0.021 0.000 2.575 244 V HA -0.062 4.061 4.120 0.004 0.000 0.242 244 V C 0.817 176.912 176.094 0.002 0.000 1.045 244 V CA 1.330 63.647 62.300 0.028 0.000 1.065 244 V CB -0.856 30.998 31.823 0.051 0.000 0.717 244 V HN 0.626 nan 8.190 nan 0.000 0.467 245 D N 0.317 120.707 120.400 -0.017 0.000 2.697 245 D HA -0.120 4.523 4.640 0.004 0.000 0.238 245 D C -1.970 174.308 176.300 -0.036 0.000 1.152 245 D CA 0.293 54.276 54.000 -0.028 0.000 0.666 245 D CB -0.394 40.396 40.800 -0.017 0.000 1.037 245 D HN 0.409 nan 8.370 nan 0.000 0.423 246 P HA 0.163 nan 4.420 nan 0.000 0.276 246 P C 0.488 177.729 177.300 -0.098 0.000 1.244 246 P CA -0.284 62.775 63.100 -0.067 0.000 0.801 246 P CB 0.845 32.493 31.700 -0.086 0.000 1.006 247 D N 0.050 120.392 120.400 -0.097 0.000 2.183 247 D HA -0.022 4.621 4.640 0.004 0.000 0.203 247 D C 0.495 176.584 176.300 -0.352 0.000 0.969 247 D CA 1.377 55.298 54.000 -0.131 0.000 0.842 247 D CB 0.265 41.075 40.800 0.016 0.000 0.957 247 D HN 0.164 nan 8.370 nan 0.000 0.484 248 L N 0.688 121.680 121.223 -0.385 0.000 2.431 248 L HA 0.390 4.733 4.340 0.004 0.000 0.266 248 L C -1.794 174.866 176.870 -0.350 0.000 0.978 248 L CA -0.927 53.590 54.840 -0.539 0.000 0.822 248 L CB 2.275 43.863 42.059 -0.784 0.000 1.310 248 L HN -0.247 nan 8.230 nan 0.000 0.409 249 L N 6.699 127.731 121.223 -0.317 0.000 2.298 249 L HA 0.716 5.058 4.340 0.004 0.000 0.284 249 L C -1.046 175.700 176.870 -0.208 0.000 1.013 249 L CA -0.544 54.166 54.840 -0.217 0.000 0.824 249 L CB 1.586 43.537 42.059 -0.180 0.000 1.221 249 L HN 0.470 nan 8.230 nan 0.000 0.418 250 V N 3.801 123.629 119.914 -0.144 0.000 2.398 250 V HA 0.621 4.744 4.120 0.004 0.000 0.286 250 V C -0.043 176.125 176.094 0.123 0.000 1.026 250 V CA -0.636 61.629 62.300 -0.058 0.000 0.868 250 V CB 1.225 32.995 31.823 -0.089 0.000 0.982 250 V HN 0.636 nan 8.190 nan 0.000 0.443 251 I N 5.162 125.809 120.570 0.127 0.000 2.339 251 I HA 0.747 4.919 4.170 0.004 0.000 0.290 251 I C 0.910 177.156 176.117 0.216 0.000 0.994 251 I CA -0.081 61.311 61.300 0.153 0.000 1.191 251 I CB 1.424 39.458 38.000 0.056 0.000 1.343 251 I HN 0.884 nan 8.210 nan 0.000 0.458 252 G N 3.308 112.231 108.800 0.205 0.000 3.075 252 G HA2 0.806 4.769 3.960 0.004 0.000 0.253 252 G HA3 0.806 4.769 3.960 0.004 0.000 0.253 252 G C -0.223 174.603 174.900 -0.122 0.000 1.353 252 G CA -0.560 44.584 45.100 0.073 0.000 1.051 252 G HN 0.978 nan 8.290 nan 0.000 0.553 253 G N -2.366 106.335 108.800 -0.165 0.000 2.746 253 G HA2 0.336 4.298 3.960 0.004 0.000 0.685 253 G HA3 0.336 4.298 3.960 0.004 0.000 0.685 253 G C 1.165 176.027 174.900 -0.062 0.000 1.350 253 G CA 0.246 45.267 45.100 -0.131 0.000 0.837 253 G HN 1.819 nan 8.290 nan 0.000 0.564 254 G N -0.554 108.209 108.800 -0.062 0.000 2.513 254 G HA2 -0.170 3.793 3.960 0.004 0.000 0.219 254 G HA3 -0.170 3.793 3.960 0.004 0.000 0.219 254 G C 1.933 176.782 174.900 -0.084 0.000 1.160 254 G CA 1.585 46.646 45.100 -0.065 0.000 0.767 254 G HN 1.018 nan 8.290 nan 0.000 0.571 255 L N 1.576 122.737 121.223 -0.103 0.000 2.275 255 L HA -0.063 4.279 4.340 0.004 0.000 0.215 255 L C 3.152 179.994 176.870 -0.046 0.000 1.119 255 L CA 1.163 55.919 54.840 -0.139 0.000 0.790 255 L CB -0.292 41.665 42.059 -0.170 0.000 0.919 255 L HN 0.456 nan 8.230 nan 0.000 0.443 256 S N -0.876 114.814 115.700 -0.018 0.000 2.474 256 S HA -0.122 4.350 4.470 0.004 0.000 0.235 256 S C 1.579 176.188 174.600 0.014 0.000 0.997 256 S CA 0.783 58.989 58.200 0.009 0.000 0.949 256 S CB -0.403 62.819 63.200 0.037 0.000 0.766 256 S HN 0.450 nan 8.310 nan 0.000 0.517 257 N N 0.898 119.605 118.700 0.010 0.000 2.459 257 N HA 0.060 4.802 4.740 0.004 0.000 0.181 257 N C -0.176 175.373 175.510 0.065 0.000 1.046 257 N CA 0.372 53.436 53.050 0.023 0.000 0.904 257 N CB -0.389 38.101 38.487 0.005 0.000 0.964 257 N HN 0.512 nan 8.380 nan 0.000 0.444 258 F N 2.764 122.616 119.950 -0.163 0.000 2.439 258 F HA 0.108 4.637 4.527 0.004 0.000 0.356 258 F C 1.731 177.423 175.800 -0.179 0.000 1.161 258 F CA -0.889 56.978 58.000 -0.221 0.000 1.151 258 F CB 0.155 38.942 39.000 -0.355 0.000 1.222 258 F HN -0.086 nan 8.300 nan 0.000 0.558 259 T N 2.517 116.928 114.554 -0.238 0.000 2.803 259 T HA -0.174 4.178 4.350 0.004 0.000 0.269 259 T C 2.113 176.555 174.700 -0.430 0.000 1.052 259 T CA 1.116 63.065 62.100 -0.252 0.000 1.136 259 T CB -0.542 68.264 68.868 -0.103 0.000 0.864 259 T HN 0.569 nan 8.240 nan 0.000 0.467 260 A N 1.799 124.089 122.820 -0.883 0.000 1.948 260 A HA -0.002 4.321 4.320 0.004 0.000 0.220 260 A C 2.383 179.663 177.584 -0.508 0.000 1.177 260 A CA 1.652 53.214 52.037 -0.793 0.000 0.636 260 A CB -0.962 17.218 19.000 -1.367 0.000 0.815 260 A HN 0.649 nan 8.150 nan 0.000 0.449 261 I N 0.037 120.292 120.570 -0.525 0.000 2.264 261 I HA -0.233 3.940 4.170 0.004 0.000 0.248 261 I C 2.453 178.507 176.117 -0.105 0.000 1.111 261 I CA 1.886 63.081 61.300 -0.174 0.000 1.382 261 I CB -0.363 37.612 38.000 -0.041 0.000 1.060 261 I HN 0.565 nan 8.210 nan 0.000 0.418 262 T N -4.270 110.212 114.554 -0.120 0.000 3.022 262 T HA 0.039 4.392 4.350 0.004 0.000 0.250 262 T C 1.543 176.204 174.700 -0.066 0.000 1.060 262 T CA 0.681 62.740 62.100 -0.069 0.000 1.013 262 T CB -0.240 68.605 68.868 -0.039 0.000 0.982 262 T HN 0.393 nan 8.240 nan 0.000 0.508 263 T N -0.380 114.121 114.554 -0.089 0.000 3.015 263 T HA 0.176 4.528 4.350 0.004 0.000 0.250 263 T C 1.600 176.275 174.700 -0.042 0.000 1.057 263 T CA -0.081 61.986 62.100 -0.055 0.000 1.066 263 T CB -0.176 68.664 68.868 -0.046 0.000 0.959 263 T HN 0.387 nan 8.240 nan 0.000 0.488 264 Q N -0.033 119.732 119.800 -0.059 0.000 2.179 264 Q HA 0.411 4.754 4.340 0.004 0.000 0.213 264 Q C 1.266 177.253 176.000 -0.021 0.000 0.833 264 Q CA -0.220 55.568 55.803 -0.025 0.000 0.990 264 Q CB 0.600 29.332 28.738 -0.011 0.000 1.132 264 Q HN 0.311 nan 8.270 nan 0.000 0.493 265 L N 0.267 121.469 121.223 -0.034 0.000 2.221 265 L HA 0.215 4.558 4.340 0.004 0.000 0.202 265 L C 2.115 178.969 176.870 -0.028 0.000 1.074 265 L CA 1.481 56.303 54.840 -0.030 0.000 0.795 265 L CB -0.450 41.585 42.059 -0.041 0.000 0.960 265 L HN 0.114 nan 8.230 nan 0.000 0.458 266 A N 0.420 123.220 122.820 -0.033 0.000 1.917 266 A HA -0.274 4.049 4.320 0.004 0.000 0.219 266 A C 2.120 179.688 177.584 -0.026 0.000 1.182 266 A CA 2.006 54.022 52.037 -0.034 0.000 0.633 266 A CB -0.868 18.110 19.000 -0.036 0.000 0.819 266 A HN 0.728 nan 8.150 nan 0.000 0.448 267 E N -0.317 119.872 120.200 -0.019 0.000 2.338 267 E HA -0.176 4.176 4.350 0.004 0.000 0.197 267 E C 1.719 178.305 176.600 -0.023 0.000 1.007 267 E CA 1.015 57.404 56.400 -0.018 0.000 0.849 267 E CB -0.257 29.438 29.700 -0.009 0.000 0.774 267 E HN 0.653 nan 8.360 nan 0.000 0.506 268 R N 0.213 120.704 120.500 -0.013 0.000 2.300 268 R HA 0.215 4.557 4.340 0.004 0.000 0.199 268 R C 2.185 178.492 176.300 0.012 0.000 0.920 268 R CA 0.075 56.172 56.100 -0.004 0.000 1.046 268 R CB 0.104 30.420 30.300 0.026 0.000 0.984 268 R HN 0.212 nan 8.270 nan 0.000 0.493 269 L N 0.399 121.624 121.223 0.003 0.000 2.095 269 L HA 0.017 4.360 4.340 0.004 0.000 0.204 269 L C -0.796 176.060 176.870 -0.023 0.000 1.080 269 L CA 0.789 55.644 54.840 0.025 0.000 0.759 269 L CB -1.119 40.938 42.059 -0.004 0.000 0.914 269 L HN 0.001 nan 8.230 nan 0.000 0.439 270 P HA -0.217 nan 4.420 nan 0.000 0.217 270 P C 1.180 178.411 177.300 -0.115 0.000 1.148 270 P CA 1.319 64.379 63.100 -0.068 0.000 0.828 270 P CB -0.192 31.473 31.700 -0.059 0.000 0.783 271 R N -1.434 118.933 120.500 -0.221 0.000 2.285 271 R HA -0.103 4.239 4.340 0.004 0.000 0.213 271 R C 0.933 176.990 176.300 -0.403 0.000 1.068 271 R CA 1.319 57.220 56.100 -0.332 0.000 1.004 271 R CB -0.959 29.082 30.300 -0.431 0.000 0.873 271 R HN 0.352 nan 8.270 nan 0.000 0.467 272 H N -0.077 118.968 119.070 -0.041 0.000 2.893 272 H HA 0.355 4.913 4.556 0.004 0.000 0.270 272 H C 0.254 175.557 175.328 -0.042 0.000 1.095 272 H CA -0.236 55.785 56.048 -0.045 0.000 1.186 272 H CB 0.579 30.306 29.762 -0.058 0.000 1.562 272 H HN 0.063 nan 8.280 nan 0.000 0.536 273 L N 1.019 122.263 121.223 0.035 0.000 2.334 273 L HA 0.323 4.665 4.340 0.004 0.000 0.270 273 L C 0.332 177.200 176.870 -0.004 0.000 1.018 273 L CA -0.996 53.850 54.840 0.011 0.000 0.811 273 L CB 1.953 44.008 42.059 -0.007 0.000 1.271 273 L HN -0.122 nan 8.230 nan 0.000 0.443 274 L N 2.059 123.279 121.223 -0.005 0.000 2.506 274 L HA -0.023 4.320 4.340 0.004 0.000 0.281 274 L C -1.281 175.581 176.870 -0.013 0.000 1.228 274 L CA -0.984 53.852 54.840 -0.007 0.000 0.850 274 L CB 0.224 42.279 42.059 -0.006 0.000 1.110 274 L HN 0.447 nan 8.230 nan 0.000 0.496 275 P HA -0.190 nan 4.420 nan 0.000 0.216 275 P C 1.351 178.642 177.300 -0.015 0.000 1.150 275 P CA 1.135 64.226 63.100 -0.016 0.000 0.843 275 P CB 0.064 31.756 31.700 -0.014 0.000 0.787 276 V N -4.479 115.428 119.914 -0.012 0.000 3.573 276 V HA 0.337 4.459 4.120 0.004 0.000 0.270 276 V C 0.943 177.029 176.094 -0.012 0.000 1.221 276 V CA 0.151 62.445 62.300 -0.011 0.000 1.163 276 V CB -1.614 30.204 31.823 -0.008 0.000 0.847 276 V HN -0.022 nan 8.190 nan 0.000 0.468 277 A N 1.083 123.894 122.820 -0.014 0.000 2.351 277 A HA 0.633 4.955 4.320 0.004 0.000 0.257 277 A C 0.429 178.001 177.584 -0.020 0.000 1.087 277 A CA -0.477 51.550 52.037 -0.017 0.000 0.798 277 A CB 0.282 19.271 19.000 -0.018 0.000 1.033 277 A HN 0.616 nan 8.150 nan 0.000 0.488 278 R N 0.482 120.968 120.500 -0.023 0.000 2.589 278 R HA 0.558 4.901 4.340 0.004 0.000 0.293 278 R C 0.096 176.373 176.300 -0.038 0.000 0.963 278 R CA -0.387 55.697 56.100 -0.027 0.000 0.905 278 R CB 1.914 32.200 30.300 -0.022 0.000 1.144 278 R HN 0.890 nan 8.270 nan 0.000 0.459 279 A N 4.179 126.973 122.820 -0.042 0.000 2.466 279 A HA 0.282 4.605 4.320 0.004 0.000 0.238 279 A C -1.860 175.678 177.584 -0.076 0.000 1.074 279 A CA -0.918 51.085 52.037 -0.056 0.000 0.774 279 A CB -0.341 18.628 19.000 -0.053 0.000 1.015 279 A HN 0.484 nan 8.150 nan 0.000 0.498 280 P HA 0.193 nan 4.420 nan 0.000 0.274 280 P C -0.305 176.893 177.300 -0.169 0.000 1.246 280 P CA -0.550 62.461 63.100 -0.148 0.000 0.795 280 P CB 0.462 32.059 31.700 -0.171 0.000 1.006 281 R N 1.236 121.588 120.500 -0.246 0.000 2.623 281 R HA 0.260 4.602 4.340 0.004 0.000 0.271 281 R C -0.395 175.752 176.300 -0.254 0.000 1.043 281 R CA 0.059 56.011 56.100 -0.248 0.000 1.083 281 R CB -0.268 29.802 30.300 -0.382 0.000 0.974 281 R HN 0.426 nan 8.270 nan 0.000 0.436 282 I N 3.752 124.220 120.570 -0.170 0.000 2.406 282 I HA 0.318 4.490 4.170 0.004 0.000 0.290 282 I C -0.410 175.642 176.117 -0.109 0.000 0.999 282 I CA -0.615 60.597 61.300 -0.146 0.000 1.124 282 I CB 1.858 39.800 38.000 -0.097 0.000 1.289 282 I HN 0.580 nan 8.210 nan 0.000 0.441 283 E N 5.167 125.299 120.200 -0.113 0.000 2.356 283 E HA 0.370 4.722 4.350 0.004 0.000 0.275 283 E C -1.010 175.614 176.600 0.041 0.000 0.904 283 E CA -0.963 55.429 56.400 -0.013 0.000 0.757 283 E CB 3.002 32.714 29.700 0.020 0.000 1.232 283 E HN 0.477 nan 8.360 nan 0.000 0.442 284 R N 0.779 121.329 120.500 0.083 0.000 2.594 284 R HA 0.415 4.758 4.340 0.004 0.000 0.272 284 R C -0.098 176.308 176.300 0.176 0.000 1.074 284 R CA -0.130 56.032 56.100 0.103 0.000 1.105 284 R CB 0.651 30.993 30.300 0.071 0.000 1.008 284 R HN 0.586 nan 8.270 nan 0.000 0.472 285 A N 3.565 126.513 122.820 0.214 0.000 2.531 285 A HA 0.047 4.369 4.320 0.004 0.000 0.236 285 A C 0.471 178.166 177.584 0.185 0.000 1.062 285 A CA 0.139 52.344 52.037 0.279 0.000 0.760 285 A CB 0.330 19.593 19.000 0.440 0.000 0.995 285 A HN 0.989 nan 8.150 nan 0.000 0.501 286 R N -0.212 120.378 120.500 0.151 0.000 2.308 286 R HA 0.088 4.431 4.340 0.004 0.000 0.202 286 R C -0.366 175.715 176.300 -0.365 0.000 0.898 286 R CA 0.486 56.513 56.100 -0.122 0.000 1.046 286 R CB 0.245 30.400 30.300 -0.243 0.000 1.026 286 R HN 0.892 nan 8.270 nan 0.000 0.512 287 H N -1.095 118.052 119.070 0.128 0.000 2.674 287 H HA 0.229 4.787 4.556 0.004 0.000 0.235 287 H C 1.145 176.563 175.328 0.151 0.000 1.330 287 H CA -0.194 55.927 56.048 0.121 0.000 1.052 287 H CB 0.938 30.765 29.762 0.107 0.000 1.954 287 H HN 0.184 nan 8.280 nan 0.000 0.566 288 G N 0.766 109.692 108.800 0.210 0.000 2.721 288 G HA2 -0.378 3.584 3.960 0.004 0.000 0.218 288 G HA3 -0.378 3.584 3.960 0.004 0.000 0.218 288 G C 1.182 176.183 174.900 0.169 0.000 1.265 288 G CA 1.612 46.831 45.100 0.198 0.000 0.796 288 G HN 0.371 nan 8.290 nan 0.000 0.620 289 D N 0.903 121.377 120.400 0.123 0.000 2.097 289 D HA 0.048 4.691 4.640 0.004 0.000 0.195 289 D C 2.533 178.896 176.300 0.106 0.000 0.989 289 D CA 1.524 55.582 54.000 0.095 0.000 0.827 289 D CB -0.446 40.394 40.800 0.067 0.000 0.966 289 D HN 0.379 nan 8.370 nan 0.000 0.456 290 A N 0.156 123.059 122.820 0.139 0.000 2.275 290 A HA 0.350 4.673 4.320 0.004 0.000 0.212 290 A C 2.169 179.828 177.584 0.126 0.000 1.201 290 A CA 0.811 52.932 52.037 0.140 0.000 0.843 290 A CB -0.502 18.609 19.000 0.185 0.000 0.873 290 A HN 0.241 nan 8.150 nan 0.000 0.492 291 G N 0.361 109.252 108.800 0.151 0.000 2.442 291 G HA2 -0.051 3.912 3.960 0.004 0.000 0.219 291 G HA3 -0.051 3.912 3.960 0.004 0.000 0.219 291 G C 1.475 176.404 174.900 0.048 0.000 1.141 291 G CA 1.194 46.361 45.100 0.112 0.000 0.763 291 G HN 0.599 nan 8.290 nan 0.000 0.554 292 G N 0.707 109.560 108.800 0.088 0.000 2.440 292 G HA2 -0.204 3.759 3.960 0.004 0.000 0.218 292 G HA3 -0.204 3.759 3.960 0.004 0.000 0.218 292 G C 1.891 176.795 174.900 0.007 0.000 1.154 292 G CA 1.061 46.200 45.100 0.066 0.000 0.767 292 G HN 0.441 nan 8.290 nan 0.000 0.552 293 M N -0.346 119.261 119.600 0.011 0.000 2.156 293 M HA 0.071 4.553 4.480 0.004 0.000 0.264 293 M C 2.781 178.965 176.300 -0.193 0.000 1.067 293 M CA 0.976 56.288 55.300 0.021 0.000 1.131 293 M CB -0.165 32.511 32.600 0.127 0.000 1.368 293 M HN 0.100 nan 8.290 nan 0.000 0.416 294 R N 0.181 120.440 120.500 -0.402 0.000 2.080 294 R HA -0.106 4.237 4.340 0.004 0.000 0.236 294 R C 2.431 177.862 176.300 -1.448 0.000 1.137 294 R CA 1.613 56.909 56.100 -1.339 0.000 0.943 294 R CB -0.999 28.728 30.300 -0.954 0.000 0.846 294 R HN 0.491 nan 8.270 nan 0.000 0.431 295 G N 0.577 109.001 108.800 -0.626 0.000 2.418 295 G HA2 -0.275 3.688 3.960 0.004 0.000 0.217 295 G HA3 -0.275 3.688 3.960 0.004 0.000 0.217 295 G C 1.568 176.337 174.900 -0.219 0.000 1.158 295 G CA 0.829 45.741 45.100 -0.313 0.000 0.771 295 G HN 0.428 nan 8.290 nan 0.000 0.545 296 A N 1.303 124.028 122.820 -0.159 0.000 1.883 296 A HA 0.168 4.491 4.320 0.004 0.000 0.217 296 A C 2.843 180.408 177.584 -0.032 0.000 1.186 296 A CA 2.548 54.570 52.037 -0.025 0.000 0.624 296 A CB -0.926 18.111 19.000 0.061 0.000 0.822 296 A HN 0.876 nan 8.150 nan 0.000 0.444 297 A N -1.006 121.699 122.820 -0.192 0.000 1.933 297 A HA 0.001 4.324 4.320 0.004 0.000 0.218 297 A C 1.750 179.367 177.584 0.054 0.000 1.175 297 A CA 1.564 53.569 52.037 -0.053 0.000 0.628 297 A CB -0.722 18.125 19.000 -0.255 0.000 0.814 297 A HN 0.475 nan 8.150 nan 0.000 0.444 298 F N 0.146 119.916 119.950 -0.299 0.000 2.699 298 F HA 0.069 4.599 4.527 0.005 0.000 0.298 298 F C 1.735 177.379 175.800 -0.260 0.000 1.154 298 F CA -0.411 57.319 58.000 -0.450 0.000 1.457 298 F CB -1.191 37.438 39.000 -0.620 0.000 1.106 298 F HN 0.109 nan 8.300 nan 0.000 0.585 299 L N -0.748 120.498 121.223 0.038 0.000 2.261 299 L HA -0.230 4.113 4.340 0.004 0.000 0.216 299 L C 2.023 178.816 176.870 -0.129 0.000 1.114 299 L CA 1.176 55.996 54.840 -0.033 0.000 0.777 299 L CB -0.613 41.401 42.059 -0.076 0.000 0.910 299 L HN 0.246 nan 8.230 nan 0.000 0.440 300 H N -0.765 118.348 119.070 0.072 0.000 2.529 300 H HA 0.183 4.741 4.556 0.004 0.000 0.277 300 H C 1.858 177.210 175.328 0.041 0.000 1.004 300 H CA 0.213 56.330 56.048 0.114 0.000 1.167 300 H CB 0.592 30.496 29.762 0.237 0.000 1.445 300 H HN 0.351 nan 8.280 nan 0.000 0.554 301 L N 0.780 121.934 121.223 -0.114 0.000 2.554 301 L HA 0.014 4.357 4.340 0.004 0.000 0.226 301 L C 0.774 177.607 176.870 -0.062 0.000 1.137 301 L CA 0.491 55.131 54.840 -0.333 0.000 0.863 301 L CB 0.113 41.570 42.059 -1.004 0.000 0.985 301 L HN 0.153 nan 8.230 nan 0.000 0.451 302 T N -5.091 109.488 114.554 0.043 0.000 2.907 302 T HA 0.359 4.711 4.350 0.004 0.000 0.292 302 T C -0.434 174.312 174.700 0.077 0.000 1.043 302 T CA -0.943 61.214 62.100 0.094 0.000 1.003 302 T CB 2.609 71.555 68.868 0.131 0.000 1.084 302 T HN -0.147 nan 8.240 nan 0.000 0.483 303 D N 0.000 120.444 120.400 0.073 0.000 6.856 303 D HA 0.000 4.643 4.640 0.004 0.000 0.175 303 D CA 0.000 54.039 54.000 0.066 0.000 0.868 303 D CB 0.000 40.833 40.800 0.054 0.000 0.688 303 D HN 0.000 nan 8.370 nan 0.000 0.683