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 1sor_1_A DATA FIRST_RESID 5 DATA SEQUENCE RSASFWRAIF AEFFATLFYV FFGLGASLRW APGPLHVLQV ALAFGLALAT DATA SEQUENCE LVQAVGHISG AHVNPAVTFA FLVGSQMSLL RAICYVVAQL LGAVAGAAVL DATA SEQUENCE YSVTPPAVRG NLALNTLHPG VSVGQATIVE IFLTLQFVLC IFATYDERRN DATA SEQUENCE GRLGSVALAV GFSLTLGHLF GMYYTGAGMN PARSFAPAIL TRNFTNHWVY DATA SEQUENCE WVGPVIGAGL GSLLYDFLLF PRLKSVSERL SILKG 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.324 176.300 0.039 0.000 0.893 5 R CA 0.000 56.117 56.100 0.028 0.000 0.921 5 R CB 0.000 30.309 30.300 0.015 0.000 0.687 6 S N 1.174 116.877 115.700 0.005 0.000 2.357 6 S HA 0.451 4.936 4.470 0.025 0.000 0.221 6 S C 2.469 177.094 174.600 0.040 0.000 1.031 6 S CA 2.372 60.561 58.200 -0.018 0.000 0.982 6 S CB -0.374 62.781 63.200 -0.075 0.000 0.853 6 S HN 1.481 nan 8.310 nan 0.000 0.458 7 A N 0.566 123.396 122.820 0.017 0.000 1.969 7 A HA 0.063 4.398 4.320 0.025 0.000 0.218 7 A C 2.463 180.127 177.584 0.133 0.000 1.169 7 A CA 1.973 54.031 52.037 0.035 0.000 0.635 7 A CB -0.922 18.071 19.000 -0.011 0.000 0.810 7 A HN 0.556 nan 8.150 nan 0.000 0.445 8 S N -1.181 114.588 115.700 0.115 0.000 2.400 8 S HA -0.201 4.284 4.470 0.025 0.000 0.232 8 S C 1.702 176.391 174.600 0.149 0.000 1.025 8 S CA 1.677 59.943 58.200 0.109 0.000 0.993 8 S CB -0.588 62.663 63.200 0.084 0.000 0.808 8 S HN 0.682 nan 8.310 nan 0.000 0.478 9 F N 0.245 120.223 119.950 0.047 0.000 2.216 9 F HA -0.037 4.506 4.527 0.025 0.000 0.300 9 F C 1.628 177.475 175.800 0.079 0.000 1.085 9 F CA 1.405 59.436 58.000 0.052 0.000 1.326 9 F CB -0.548 38.475 39.000 0.038 0.000 1.027 9 F HN 0.329 nan 8.300 nan 0.000 0.497 10 W N 2.612 123.913 121.300 0.001 0.000 2.402 10 W HA -0.092 4.584 4.660 0.026 0.000 0.286 10 W C 2.808 179.029 176.519 -0.496 0.000 1.221 10 W CA 2.395 59.594 57.345 -0.243 0.000 1.257 10 W CB -0.459 28.880 29.460 -0.201 0.000 1.120 10 W HN 0.159 nan 8.180 nan 0.000 0.551 11 R N -0.006 120.390 120.500 -0.175 0.000 2.096 11 R HA -0.089 4.266 4.340 0.025 0.000 0.235 11 R C 2.048 178.283 176.300 -0.109 0.000 1.127 11 R CA 1.851 57.840 56.100 -0.184 0.000 0.968 11 R CB -1.290 29.018 30.300 0.013 0.000 0.861 11 R HN 0.009 nan 8.270 nan 0.000 0.440 12 A N 1.956 124.700 122.820 -0.126 0.000 1.978 12 A HA -0.091 4.244 4.320 0.025 0.000 0.220 12 A C 2.192 179.786 177.584 0.016 0.000 1.170 12 A CA 1.349 53.363 52.037 -0.038 0.000 0.636 12 A CB -0.369 18.600 19.000 -0.052 0.000 0.810 12 A HN 0.323 nan 8.150 nan 0.000 0.448 13 I N -1.146 119.301 120.570 -0.205 0.000 2.394 13 I HA -0.184 4.001 4.170 0.025 0.000 0.251 13 I C 2.295 178.407 176.117 -0.008 0.000 1.136 13 I CA 1.061 62.252 61.300 -0.182 0.000 1.425 13 I CB -1.665 35.996 38.000 -0.565 0.000 1.079 13 I HN 0.409 nan 8.210 nan 0.000 0.425 14 F N 1.281 121.104 119.950 -0.213 0.000 2.163 14 F HA -0.139 4.403 4.527 0.025 0.000 0.297 14 F C 2.709 178.515 175.800 0.011 0.000 1.094 14 F CA 0.597 58.462 58.000 -0.224 0.000 1.290 14 F CB -0.207 38.779 39.000 -0.023 0.000 1.017 14 F HN 0.045 nan 8.300 nan 0.000 0.483 15 A N 0.125 123.140 122.820 0.326 0.000 1.908 15 A HA -0.263 4.072 4.320 0.025 0.000 0.218 15 A C 1.852 179.551 177.584 0.190 0.000 1.181 15 A CA 2.038 54.247 52.037 0.287 0.000 0.627 15 A CB -0.681 18.408 19.000 0.148 0.000 0.818 15 A HN 0.288 nan 8.150 nan 0.000 0.445 16 E N -1.247 119.012 120.200 0.099 0.000 2.152 16 E HA -0.066 4.299 4.350 0.025 0.000 0.192 16 E C 1.561 178.197 176.600 0.061 0.000 0.983 16 E CA 0.969 57.388 56.400 0.033 0.000 0.818 16 E CB -0.356 29.331 29.700 -0.023 0.000 0.758 16 E HN 0.652 nan 8.360 nan 0.000 0.467 17 F N -0.582 119.303 119.950 -0.107 0.000 2.128 17 F HA -0.113 4.430 4.527 0.026 0.000 0.295 17 F C 1.525 177.195 175.800 -0.218 0.000 1.100 17 F CA 1.177 59.040 58.000 -0.228 0.000 1.260 17 F CB -0.206 38.527 39.000 -0.445 0.000 1.009 17 F HN -0.013 nan 8.300 nan 0.000 0.476 18 F N 0.862 120.854 119.950 0.071 0.000 2.146 18 F HA -0.007 4.535 4.527 0.024 0.000 0.298 18 F C 2.640 178.445 175.800 0.009 0.000 1.096 18 F CA 1.003 58.955 58.000 -0.080 0.000 1.275 18 F CB -1.647 37.452 39.000 0.165 0.000 1.008 18 F HN 0.082 nan 8.300 nan 0.000 0.480 19 A N -0.296 122.710 122.820 0.309 0.000 1.883 19 A HA -0.206 4.129 4.320 0.025 0.000 0.217 19 A C 2.286 180.010 177.584 0.235 0.000 1.186 19 A CA 2.516 54.731 52.037 0.296 0.000 0.624 19 A CB -1.375 17.729 19.000 0.172 0.000 0.822 19 A HN 0.358 nan 8.150 nan 0.000 0.444 20 T N -0.036 114.570 114.554 0.087 0.000 2.821 20 T HA -0.056 4.309 4.350 0.025 0.000 0.267 20 T C 1.852 176.591 174.700 0.065 0.000 1.046 20 T CA 1.155 63.319 62.100 0.107 0.000 1.139 20 T CB -0.358 68.526 68.868 0.026 0.000 0.871 20 T HN 0.393 nan 8.240 nan 0.000 0.454 21 L N -0.082 121.018 121.223 -0.206 0.000 2.012 21 L HA -0.126 4.229 4.340 0.025 0.000 0.210 21 L C 2.114 178.901 176.870 -0.139 0.000 1.073 21 L CA 1.761 56.397 54.840 -0.341 0.000 0.748 21 L CB -0.330 41.296 42.059 -0.721 0.000 0.891 21 L HN 0.180 nan 8.230 nan 0.000 0.431 22 F N -1.235 118.767 119.950 0.088 0.000 2.186 22 F HA -0.225 4.316 4.527 0.024 0.000 0.299 22 F C 2.378 178.368 175.800 0.316 0.000 1.090 22 F CA 1.395 59.519 58.000 0.206 0.000 1.307 22 F CB -1.072 38.120 39.000 0.321 0.000 1.019 22 F HN 0.146 nan 8.300 nan 0.000 0.489 23 Y N 0.526 121.020 120.300 0.323 0.000 2.128 23 Y HA -0.240 4.326 4.550 0.026 0.000 0.284 23 Y C 2.309 178.267 175.900 0.098 0.000 1.154 23 Y CA 1.646 59.870 58.100 0.207 0.000 1.149 23 Y CB -0.758 37.798 38.460 0.160 0.000 0.976 23 Y HN -0.128 nan 8.280 nan 0.000 0.505 24 V N -0.139 119.791 119.914 0.026 0.000 2.548 24 V HA -0.233 3.902 4.120 0.025 0.000 0.249 24 V C 2.136 178.143 176.094 -0.145 0.000 1.055 24 V CA 1.777 64.007 62.300 -0.116 0.000 1.065 24 V CB -1.006 30.839 31.823 0.037 0.000 0.681 24 V HN 0.487 nan 8.190 nan 0.000 0.462 25 F N 0.500 120.330 119.950 -0.201 0.000 2.113 25 F HA -0.138 4.406 4.527 0.028 0.000 0.297 25 F C 2.006 177.604 175.800 -0.337 0.000 1.103 25 F CA 1.661 59.487 58.000 -0.290 0.000 1.248 25 F CB -0.368 38.402 39.000 -0.384 0.000 0.999 25 F HN 0.131 nan 8.300 nan 0.000 0.475 26 F N 0.407 120.261 119.950 -0.160 0.000 2.128 26 F HA 0.072 4.613 4.527 0.023 0.000 0.295 26 F C 2.713 178.217 175.800 -0.494 0.000 1.100 26 F CA 1.455 59.279 58.000 -0.293 0.000 1.260 26 F CB -1.413 37.529 39.000 -0.097 0.000 1.009 26 F HN 0.023 nan 8.300 nan 0.000 0.476 27 G N -0.389 108.061 108.800 -0.583 0.000 2.394 27 G HA2 -0.191 3.784 3.960 0.025 0.000 0.214 27 G HA3 -0.191 3.784 3.960 0.025 0.000 0.214 27 G C 1.618 175.918 174.900 -0.999 0.000 1.176 27 G CA 0.582 44.917 45.100 -1.274 0.000 0.786 27 G HN 0.245 nan 8.290 nan 0.000 0.533 28 L N 1.598 122.406 121.223 -0.691 0.000 2.141 28 L HA 0.166 4.521 4.340 0.025 0.000 0.209 28 L C 2.808 179.493 176.870 -0.308 0.000 1.094 28 L CA 1.901 56.559 54.840 -0.303 0.000 0.763 28 L CB -0.750 41.195 42.059 -0.190 0.000 0.908 28 L HN 0.193 nan 8.230 nan 0.000 0.437 29 G N -1.404 107.151 108.800 -0.409 0.000 2.422 29 G HA2 -0.219 3.756 3.960 0.025 0.000 0.218 29 G HA3 -0.219 3.756 3.960 0.025 0.000 0.218 29 G C 1.605 176.372 174.900 -0.222 0.000 1.140 29 G CA 0.654 45.514 45.100 -0.399 0.000 0.775 29 G HN 0.561 nan 8.290 nan 0.000 0.545 30 A N 0.799 123.515 122.820 -0.173 0.000 1.969 30 A HA 0.065 4.400 4.320 0.025 0.000 0.218 30 A C 2.671 180.261 177.584 0.010 0.000 1.169 30 A CA 2.079 54.117 52.037 0.001 0.000 0.635 30 A CB -0.434 18.540 19.000 -0.043 0.000 0.810 30 A HN 0.296 nan 8.150 nan 0.000 0.445 31 S N 0.012 115.664 115.700 -0.079 0.000 2.383 31 S HA 0.021 4.506 4.470 0.025 0.000 0.227 31 S C 0.713 175.118 174.600 -0.324 0.000 1.026 31 S CA 0.061 58.231 58.200 -0.050 0.000 0.981 31 S CB -0.466 62.736 63.200 0.002 0.000 0.818 31 S HN 0.426 nan 8.310 nan 0.000 0.472 32 L N 3.078 123.944 121.223 -0.595 0.000 2.972 32 L HA -0.140 4.215 4.340 0.025 0.000 0.312 32 L C 0.602 176.707 176.870 -1.274 0.000 1.169 32 L CA 1.059 55.284 54.840 -1.026 0.000 0.873 32 L CB -0.445 40.662 42.059 -1.587 0.000 1.237 32 L HN 0.374 nan 8.230 nan 0.000 0.510 33 R N 5.803 125.860 120.500 -0.738 0.000 2.498 33 R HA -0.030 4.325 4.340 0.025 0.000 0.334 33 R C -0.120 175.982 176.300 -0.330 0.000 1.106 33 R CA 0.260 56.056 56.100 -0.506 0.000 0.995 33 R CB -0.225 29.904 30.300 -0.285 0.000 0.989 33 R HN 0.724 nan 8.270 nan 0.000 0.455 34 W N 0.285 121.475 121.300 -0.183 0.000 0.946 34 W HA 0.380 5.049 4.660 0.015 0.000 0.183 34 W C -0.004 176.429 176.519 -0.144 0.000 0.724 34 W CA -0.869 56.396 57.345 -0.133 0.000 1.066 34 W CB -0.825 28.576 29.460 -0.099 0.000 0.789 34 W HN 0.361 nan 8.180 nan 0.000 0.380 35 A N 0.212 123.085 122.820 0.089 0.000 2.197 35 A HA 0.394 4.729 4.320 0.025 0.000 0.210 35 A C -1.525 176.055 177.584 -0.008 0.000 1.180 35 A CA -0.118 51.932 52.037 0.021 0.000 0.846 35 A CB -1.136 17.767 19.000 -0.161 0.000 0.884 35 A HN -0.057 nan 8.150 nan 0.000 0.487 36 P HA 0.013 nan 4.420 nan 0.000 0.170 36 P C 0.752 178.063 177.300 0.019 0.000 0.837 36 P CA 2.037 65.133 63.100 -0.007 0.000 1.279 36 P CB -0.498 31.195 31.700 -0.012 0.000 1.424 37 G N 2.694 111.516 108.800 0.037 0.000 2.684 37 G HA2 0.014 3.989 3.960 0.025 0.000 0.107 37 G HA3 0.014 3.989 3.960 0.025 0.000 0.107 37 G C -2.439 172.497 174.900 0.061 0.000 1.201 37 G CA -0.478 44.646 45.100 0.040 0.000 1.113 37 G HN 0.276 nan 8.290 nan 0.000 0.356 38 P HA 0.564 nan 4.420 nan 0.000 0.274 38 P C -0.844 176.540 177.300 0.141 0.000 1.256 38 P CA -0.453 62.700 63.100 0.089 0.000 0.795 38 P CB 0.877 32.626 31.700 0.082 0.000 1.038 39 L N 2.815 124.122 121.223 0.140 0.000 2.389 39 L HA 0.115 4.470 4.340 0.025 0.000 0.265 39 L C 1.593 178.552 176.870 0.147 0.000 1.167 39 L CA -0.064 54.878 54.840 0.169 0.000 1.045 39 L CB -1.074 41.064 42.059 0.131 0.000 1.351 39 L HN 0.424 nan 8.230 nan 0.000 0.419 40 H N 1.205 120.305 119.070 0.050 0.000 2.550 40 H HA -0.137 4.428 4.556 0.015 0.000 0.292 40 H C 1.759 177.100 175.328 0.022 0.000 1.072 40 H CA 1.276 57.357 56.048 0.055 0.000 1.217 40 H CB -0.696 29.114 29.762 0.079 0.000 1.355 40 H HN 0.421 nan 8.280 nan 0.000 0.586 41 V N 0.878 120.534 119.914 -0.431 0.000 2.469 41 V HA -0.250 3.885 4.120 0.025 0.000 0.251 41 V C 2.271 178.263 176.094 -0.171 0.000 1.064 41 V CA 1.439 63.476 62.300 -0.439 0.000 1.066 41 V CB -0.536 30.976 31.823 -0.519 0.000 0.667 41 V HN 0.278 nan 8.190 nan 0.000 0.461 42 L N -0.001 121.191 121.223 -0.052 0.000 2.056 42 L HA -0.148 4.207 4.340 0.025 0.000 0.207 42 L C 2.503 179.398 176.870 0.041 0.000 1.078 42 L CA 2.438 57.290 54.840 0.020 0.000 0.749 42 L CB -1.056 41.033 42.059 0.050 0.000 0.901 42 L HN 0.506 nan 8.230 nan 0.000 0.433 43 Q N -0.354 119.479 119.800 0.056 0.000 1.941 43 Q HA -0.202 4.153 4.340 0.025 0.000 0.201 43 Q C 2.393 178.447 176.000 0.091 0.000 0.982 43 Q CA 2.289 58.145 55.803 0.089 0.000 0.839 43 Q CB -0.494 28.329 28.738 0.141 0.000 0.904 43 Q HN 0.261 nan 8.270 nan 0.000 0.427 44 V N 1.071 121.043 119.914 0.096 0.000 2.278 44 V HA -0.333 3.802 4.120 0.025 0.000 0.251 44 V C 2.236 178.450 176.094 0.200 0.000 1.062 44 V CA 2.696 65.081 62.300 0.141 0.000 1.038 44 V CB -1.073 30.817 31.823 0.112 0.000 0.646 44 V HN 0.579 nan 8.190 nan 0.000 0.447 45 A N 0.078 122.959 122.820 0.103 0.000 1.883 45 A HA -0.168 4.167 4.320 0.025 0.000 0.217 45 A C 2.317 179.979 177.584 0.129 0.000 1.186 45 A CA 2.076 54.184 52.037 0.119 0.000 0.624 45 A CB -0.826 18.211 19.000 0.061 0.000 0.822 45 A HN 0.594 nan 8.150 nan 0.000 0.444 46 L N -0.439 120.847 121.223 0.105 0.000 2.131 46 L HA -0.148 4.207 4.340 0.025 0.000 0.210 46 L C 2.569 179.478 176.870 0.066 0.000 1.092 46 L CA 2.396 57.295 54.840 0.099 0.000 0.759 46 L CB -1.282 40.830 42.059 0.089 0.000 0.903 46 L HN 0.418 nan 8.230 nan 0.000 0.435 47 A N -0.427 122.426 122.820 0.055 0.000 1.873 47 A HA -0.226 4.109 4.320 0.025 0.000 0.215 47 A C 2.031 179.570 177.584 -0.075 0.000 1.186 47 A CA 1.464 53.486 52.037 -0.025 0.000 0.616 47 A CB -1.012 17.954 19.000 -0.058 0.000 0.823 47 A HN 0.411 nan 8.150 nan 0.000 0.442 48 F N 0.550 120.388 119.950 -0.186 0.000 2.161 48 F HA -0.099 4.441 4.527 0.022 0.000 0.300 48 F C 2.603 178.318 175.800 -0.143 0.000 1.089 48 F CA 1.306 59.122 58.000 -0.306 0.000 1.282 48 F CB -0.603 37.915 39.000 -0.802 0.000 1.010 48 F HN 0.301 nan 8.300 nan 0.000 0.485 49 G N -0.094 108.748 108.800 0.070 0.000 2.404 49 G HA2 -0.173 3.802 3.960 0.025 0.000 0.215 49 G HA3 -0.173 3.802 3.960 0.025 0.000 0.215 49 G C 1.691 176.585 174.900 -0.011 0.000 1.174 49 G CA 0.692 45.824 45.100 0.052 0.000 0.780 49 G HN 0.296 nan 8.290 nan 0.000 0.537 50 L N 0.680 121.875 121.223 -0.047 0.000 2.141 50 L HA -0.020 4.335 4.340 0.025 0.000 0.209 50 L C 3.385 180.201 176.870 -0.090 0.000 1.094 50 L CA 0.854 55.631 54.840 -0.105 0.000 0.763 50 L CB -0.465 41.530 42.059 -0.107 0.000 0.908 50 L HN 0.316 nan 8.230 nan 0.000 0.437 51 A N 0.322 123.111 122.820 -0.051 0.000 1.877 51 A HA -0.224 4.111 4.320 0.025 0.000 0.216 51 A C 2.221 179.883 177.584 0.129 0.000 1.186 51 A CA 1.702 53.740 52.037 0.001 0.000 0.620 51 A CB -0.617 18.403 19.000 0.034 0.000 0.822 51 A HN 0.326 nan 8.150 nan 0.000 0.443 52 L N -0.456 120.883 121.223 0.193 0.000 2.109 52 L HA 0.059 4.414 4.340 0.025 0.000 0.207 52 L C 2.648 179.558 176.870 0.067 0.000 1.086 52 L CA 1.972 56.911 54.840 0.165 0.000 0.760 52 L CB -0.739 41.436 42.059 0.193 0.000 0.910 52 L HN 0.332 nan 8.230 nan 0.000 0.437 53 A N -0.803 122.019 122.820 0.003 0.000 1.883 53 A HA -0.265 4.070 4.320 0.025 0.000 0.217 53 A C 2.383 179.935 177.584 -0.054 0.000 1.186 53 A CA 2.726 54.726 52.037 -0.062 0.000 0.624 53 A CB -1.440 17.452 19.000 -0.179 0.000 0.822 53 A HN 0.623 nan 8.150 nan 0.000 0.444 54 T N -2.377 112.138 114.554 -0.065 0.000 2.812 54 T HA -0.033 4.332 4.350 0.025 0.000 0.264 54 T C 1.779 176.458 174.700 -0.035 0.000 1.042 54 T CA 1.191 63.248 62.100 -0.072 0.000 1.140 54 T CB -0.395 68.399 68.868 -0.123 0.000 0.870 54 T HN 0.103 nan 8.240 nan 0.000 0.445 55 L N 1.315 122.542 121.223 0.007 0.000 2.079 55 L HA -0.038 4.317 4.340 0.025 0.000 0.210 55 L C 2.914 179.803 176.870 0.031 0.000 1.081 55 L CA 1.284 56.153 54.840 0.048 0.000 0.752 55 L CB -1.372 40.755 42.059 0.113 0.000 0.896 55 L HN 0.253 nan 8.230 nan 0.000 0.433 56 V N -0.595 119.333 119.914 0.022 0.000 2.469 56 V HA -0.281 3.854 4.120 0.025 0.000 0.251 56 V C 2.661 178.752 176.094 -0.005 0.000 1.064 56 V CA 1.339 63.648 62.300 0.014 0.000 1.066 56 V CB -0.469 31.377 31.823 0.038 0.000 0.667 56 V HN 0.499 nan 8.190 nan 0.000 0.461 57 Q N -0.316 119.477 119.800 -0.011 0.000 2.049 57 Q HA -0.079 4.276 4.340 0.025 0.000 0.198 57 Q C 2.471 178.479 176.000 0.014 0.000 0.971 57 Q CA 1.927 57.720 55.803 -0.017 0.000 0.833 57 Q CB -0.475 28.243 28.738 -0.033 0.000 0.896 57 Q HN 0.645 nan 8.270 nan 0.000 0.434 58 A N 0.198 123.028 122.820 0.016 0.000 1.854 58 A HA -0.078 4.257 4.320 0.025 0.000 0.214 58 A C 2.393 180.013 177.584 0.060 0.000 1.192 58 A CA 1.395 53.456 52.037 0.040 0.000 0.611 58 A CB -0.606 18.403 19.000 0.014 0.000 0.832 58 A HN 0.187 nan 8.150 nan 0.000 0.442 59 V N -0.029 119.917 119.914 0.053 0.000 2.323 59 V HA -0.094 4.041 4.120 0.025 0.000 0.244 59 V C 2.849 178.939 176.094 -0.008 0.000 1.041 59 V CA 1.784 64.111 62.300 0.046 0.000 1.025 59 V CB -1.555 30.302 31.823 0.058 0.000 0.656 59 V HN 0.580 nan 8.190 nan 0.000 0.451 60 G N -1.025 107.751 108.800 -0.040 0.000 2.442 60 G HA2 -0.336 3.639 3.960 0.025 0.000 0.219 60 G HA3 -0.336 3.639 3.960 0.025 0.000 0.219 60 G C 1.484 176.340 174.900 -0.073 0.000 1.141 60 G CA 1.266 46.290 45.100 -0.127 0.000 0.763 60 G HN 0.677 nan 8.290 nan 0.000 0.554 61 H N -0.147 118.853 119.070 -0.117 0.000 2.319 61 H HA -0.104 4.467 4.556 0.025 0.000 0.299 61 H C 2.526 177.810 175.328 -0.073 0.000 1.092 61 H CA 1.232 57.223 56.048 -0.094 0.000 1.302 61 H CB 0.096 29.823 29.762 -0.059 0.000 1.373 61 H HN 0.332 nan 8.280 nan 0.000 0.497 62 I N -0.108 120.417 120.570 -0.074 0.000 2.202 62 I HA -0.093 4.092 4.170 0.025 0.000 0.242 62 I C 0.602 176.681 176.117 -0.064 0.000 1.091 62 I CA 1.020 62.245 61.300 -0.125 0.000 1.368 62 I CB 0.112 38.072 38.000 -0.065 0.000 1.058 62 I HN 0.116 nan 8.210 nan 0.000 0.410 63 S N -1.226 114.437 115.700 -0.063 0.000 2.546 63 S HA 0.453 4.938 4.470 0.025 0.000 0.303 63 S C 0.129 174.637 174.600 -0.153 0.000 1.067 63 S CA -0.061 58.096 58.200 -0.073 0.000 0.944 63 S CB -0.122 63.073 63.200 -0.007 0.000 1.155 63 S HN 0.845 nan 8.310 nan 0.000 0.449 64 G N 4.052 112.697 108.800 -0.258 0.000 3.729 64 G HA2 0.043 4.018 3.960 0.025 0.000 0.327 64 G HA3 0.043 4.018 3.960 0.025 0.000 0.327 64 G C 0.761 175.345 174.900 -0.527 0.000 1.293 64 G CA 1.804 46.585 45.100 -0.531 0.000 1.011 64 G HN 2.479 nan 8.290 nan 0.000 0.673 65 A N -2.033 120.577 122.820 -0.350 0.000 3.568 65 A HA -0.088 4.247 4.320 0.025 0.000 0.216 65 A C 1.013 178.500 177.584 -0.163 0.000 1.313 65 A CA 1.640 53.569 52.037 -0.181 0.000 1.112 65 A CB -2.288 16.642 19.000 -0.116 0.000 1.102 65 A HN 2.091 nan 8.150 nan 0.000 0.791 66 H N -0.901 118.036 119.070 -0.220 0.000 2.265 66 H HA 0.019 4.590 4.556 0.025 0.000 0.293 66 H C 2.149 177.421 175.328 -0.093 0.000 1.089 66 H CA 2.743 58.708 56.048 -0.139 0.000 1.244 66 H CB -0.256 29.376 29.762 -0.218 0.000 1.355 66 H HN 1.088 nan 8.280 nan 0.000 0.485 67 V N -1.552 118.365 119.914 0.005 0.000 0.456 67 V HA -0.394 3.741 4.120 0.025 0.000 0.092 67 V C 0.859 176.916 176.094 -0.062 0.000 2.503 67 V CA 1.774 64.032 62.300 -0.069 0.000 3.694 67 V CB -1.142 30.557 31.823 -0.207 0.000 0.970 67 V HN 0.676 nan 8.190 nan 0.000 1.019 68 N N 1.818 120.512 118.700 -0.009 0.000 2.430 68 N HA 0.205 4.960 4.740 0.025 0.000 0.265 68 N C -1.453 174.054 175.510 -0.004 0.000 1.100 68 N CA -1.345 51.722 53.050 0.028 0.000 0.961 68 N CB 2.054 40.638 38.487 0.162 0.000 1.075 68 N HN 0.147 nan 8.380 nan 0.000 0.478 69 P HA -0.099 nan 4.420 nan 0.000 0.215 69 P C 0.808 177.992 177.300 -0.193 0.000 1.157 69 P CA 1.667 64.651 63.100 -0.193 0.000 0.868 69 P CB 0.172 31.745 31.700 -0.211 0.000 0.788 70 A N -0.763 122.047 122.820 -0.017 0.000 1.972 70 A HA -0.154 4.181 4.320 0.025 0.000 0.219 70 A C 2.279 179.964 177.584 0.169 0.000 1.169 70 A CA 1.710 53.846 52.037 0.165 0.000 0.635 70 A CB -1.713 17.340 19.000 0.088 0.000 0.810 70 A HN 0.048 nan 8.150 nan 0.000 0.446 71 V N -0.618 119.384 119.914 0.146 0.000 2.548 71 V HA -0.178 3.957 4.120 0.025 0.000 0.249 71 V C 2.668 178.960 176.094 0.330 0.000 1.055 71 V CA 2.289 64.720 62.300 0.218 0.000 1.065 71 V CB -1.092 30.897 31.823 0.277 0.000 0.681 71 V HN 0.584 nan 8.190 nan 0.000 0.462 72 T N 0.421 115.050 114.554 0.125 0.000 2.746 72 T HA -0.138 4.227 4.350 0.025 0.000 0.267 72 T C 1.651 176.424 174.700 0.123 0.000 1.039 72 T CA 1.660 63.770 62.100 0.017 0.000 1.142 72 T CB -0.364 68.287 68.868 -0.361 0.000 0.866 72 T HN 0.377 nan 8.240 nan 0.000 0.444 73 F N 1.807 121.868 119.950 0.185 0.000 2.216 73 F HA 0.047 4.588 4.527 0.025 0.000 0.300 73 F C 2.596 178.477 175.800 0.135 0.000 1.085 73 F CA 0.282 58.370 58.000 0.145 0.000 1.326 73 F CB -1.212 37.849 39.000 0.101 0.000 1.027 73 F HN 0.135 nan 8.300 nan 0.000 0.497 74 A N -0.232 122.750 122.820 0.270 0.000 1.908 74 A HA -0.199 4.136 4.320 0.025 0.000 0.218 74 A C 2.083 179.747 177.584 0.134 0.000 1.181 74 A CA 1.631 53.692 52.037 0.039 0.000 0.627 74 A CB -1.315 17.586 19.000 -0.164 0.000 0.818 74 A HN 0.321 nan 8.150 nan 0.000 0.445 75 F N -1.027 119.144 119.950 0.368 0.000 2.206 75 F HA -0.057 4.485 4.527 0.024 0.000 0.298 75 F C 2.040 178.008 175.800 0.281 0.000 1.090 75 F CA 1.227 59.472 58.000 0.408 0.000 1.323 75 F CB -0.375 38.829 39.000 0.340 0.000 1.028 75 F HN 0.263 nan 8.300 nan 0.000 0.492 76 L N 0.533 122.000 121.223 0.406 0.000 2.027 76 L HA -0.119 4.236 4.340 0.025 0.000 0.206 76 L C 2.418 179.419 176.870 0.218 0.000 1.074 76 L CA 1.769 56.783 54.840 0.290 0.000 0.745 76 L CB -0.929 41.307 42.059 0.295 0.000 0.898 76 L HN 0.108 nan 8.230 nan 0.000 0.433 77 V N -2.655 117.372 119.914 0.189 0.000 2.759 77 V HA 0.044 4.179 4.120 0.025 0.000 0.256 77 V C 2.270 178.413 176.094 0.081 0.000 1.080 77 V CA 1.309 63.662 62.300 0.089 0.000 1.101 77 V CB -2.000 29.838 31.823 0.026 0.000 0.698 77 V HN 0.439 nan 8.190 nan 0.000 0.477 78 G N -0.289 108.625 108.800 0.191 0.000 2.625 78 G HA2 -0.050 3.925 3.960 0.025 0.000 0.214 78 G HA3 -0.050 3.925 3.960 0.025 0.000 0.214 78 G C 0.743 175.775 174.900 0.221 0.000 1.132 78 G CA 0.796 46.080 45.100 0.308 0.000 0.782 78 G HN 1.218 nan 8.290 nan 0.000 0.538 79 S N -0.426 115.376 115.700 0.171 0.000 3.634 79 S HA -0.146 4.339 4.470 0.025 0.000 0.501 79 S C 0.197 174.882 174.600 0.142 0.000 0.789 79 S CA 1.281 59.560 58.200 0.133 0.000 1.378 79 S CB -1.520 61.736 63.200 0.095 0.000 0.896 79 S HN 1.305 nan 8.310 nan 0.000 0.703 80 Q N 1.993 121.891 119.800 0.164 0.000 3.196 80 Q HA 0.475 4.830 4.340 0.025 0.000 0.175 80 Q C -0.543 175.561 176.000 0.173 0.000 0.594 80 Q CA -0.146 55.749 55.803 0.152 0.000 1.017 80 Q CB -0.586 28.242 28.738 0.149 0.000 1.505 80 Q HN 0.749 nan 8.270 nan 0.000 0.351 81 M N 0.929 120.623 119.600 0.155 0.000 2.860 81 M HA 0.329 4.824 4.480 0.025 0.000 0.270 81 M C -1.607 174.768 176.300 0.125 0.000 0.988 81 M CA -0.153 55.239 55.300 0.154 0.000 0.807 81 M CB 1.943 34.662 32.600 0.198 0.000 1.708 81 M HN 0.382 nan 8.290 nan 0.000 0.558 82 S N 2.521 118.287 115.700 0.110 0.000 2.565 82 S HA 0.312 4.797 4.470 0.025 0.000 0.274 82 S C 0.824 175.475 174.600 0.085 0.000 1.309 82 S CA -0.769 57.481 58.200 0.083 0.000 1.043 82 S CB 1.337 64.575 63.200 0.063 0.000 0.939 82 S HN 0.883 nan 8.310 nan 0.000 0.504 83 L N 2.224 123.493 121.223 0.076 0.000 2.127 83 L HA -0.135 4.220 4.340 0.025 0.000 0.211 83 L C 2.096 179.012 176.870 0.077 0.000 1.089 83 L CA 1.599 56.490 54.840 0.086 0.000 0.757 83 L CB -0.489 41.613 42.059 0.071 0.000 0.899 83 L HN 0.919 nan 8.230 nan 0.000 0.434 84 L N -1.686 119.569 121.223 0.053 0.000 2.072 84 L HA -0.118 4.237 4.340 0.025 0.000 0.205 84 L C 2.565 179.479 176.870 0.073 0.000 1.079 84 L CA 1.695 56.564 54.840 0.049 0.000 0.752 84 L CB -1.174 40.886 42.059 0.001 0.000 0.906 84 L HN 0.046 nan 8.230 nan 0.000 0.436 85 R N 0.404 120.962 120.500 0.096 0.000 2.127 85 R HA -0.099 4.256 4.340 0.025 0.000 0.238 85 R C 2.203 178.346 176.300 -0.262 0.000 1.134 85 R CA 1.418 57.533 56.100 0.025 0.000 0.975 85 R CB -0.412 29.955 30.300 0.112 0.000 0.865 85 R HN 0.589 nan 8.270 nan 0.000 0.447 86 A N 1.024 123.810 122.820 -0.056 0.000 1.873 86 A HA -0.121 4.214 4.320 0.025 0.000 0.215 86 A C 2.010 179.589 177.584 -0.008 0.000 1.186 86 A CA 1.233 53.267 52.037 -0.005 0.000 0.616 86 A CB -0.391 18.687 19.000 0.130 0.000 0.823 86 A HN 0.272 nan 8.150 nan 0.000 0.442 87 I N 0.091 120.693 120.570 0.053 0.000 2.361 87 I HA -0.246 3.939 4.170 0.025 0.000 0.251 87 I C 2.528 178.662 176.117 0.029 0.000 1.133 87 I CA 0.903 62.254 61.300 0.084 0.000 1.413 87 I CB -1.798 36.262 38.000 0.099 0.000 1.073 87 I HN 0.366 nan 8.210 nan 0.000 0.424 88 C N 0.124 119.397 119.300 -0.045 0.000 2.425 88 C HA -0.193 4.282 4.460 0.025 0.000 0.277 88 C C 2.781 177.714 174.990 -0.095 0.000 1.280 88 C CA 0.401 59.365 59.018 -0.090 0.000 1.744 88 C CB -1.125 26.524 27.740 -0.151 0.000 1.989 88 C HN 0.400 nan 8.230 nan 0.000 0.491 89 Y N 0.748 120.987 120.300 -0.103 0.000 2.263 89 Y HA -0.077 4.489 4.550 0.026 0.000 0.292 89 Y C 2.539 178.371 175.900 -0.113 0.000 1.130 89 Y CA 0.745 58.754 58.100 -0.151 0.000 1.179 89 Y CB -1.322 36.975 38.460 -0.272 0.000 0.998 89 Y HN 0.128 nan 8.280 nan 0.000 0.532 90 V N 0.043 119.981 119.914 0.040 0.000 2.295 90 V HA -0.272 3.863 4.120 0.025 0.000 0.246 90 V C 2.476 178.622 176.094 0.087 0.000 1.049 90 V CA 1.941 64.252 62.300 0.018 0.000 1.024 90 V CB -1.292 30.558 31.823 0.046 0.000 0.648 90 V HN 0.401 nan 8.190 nan 0.000 0.447 91 V N -0.842 119.127 119.914 0.091 0.000 2.515 91 V HA -0.053 4.082 4.120 0.025 0.000 0.250 91 V C 2.446 178.611 176.094 0.118 0.000 1.058 91 V CA 1.745 64.105 62.300 0.099 0.000 1.064 91 V CB -1.228 30.645 31.823 0.083 0.000 0.675 91 V HN 0.379 nan 8.190 nan 0.000 0.461 92 A N -0.038 122.848 122.820 0.110 0.000 1.930 92 A HA -0.164 4.171 4.320 0.025 0.000 0.217 92 A C 2.221 179.912 177.584 0.179 0.000 1.175 92 A CA 1.805 53.939 52.037 0.161 0.000 0.627 92 A CB -0.487 18.589 19.000 0.126 0.000 0.815 92 A HN 0.661 nan 8.150 nan 0.000 0.443 93 Q N -0.356 119.511 119.800 0.112 0.000 2.049 93 Q HA -0.000 4.355 4.340 0.025 0.000 0.198 93 Q C 2.068 178.137 176.000 0.116 0.000 0.971 93 Q CA 1.315 57.164 55.803 0.076 0.000 0.833 93 Q CB -0.292 28.472 28.738 0.043 0.000 0.896 93 Q HN 0.655 nan 8.270 nan 0.000 0.434 94 L N -0.041 121.269 121.223 0.146 0.000 2.017 94 L HA -0.210 4.145 4.340 0.025 0.000 0.208 94 L C 2.133 179.174 176.870 0.284 0.000 1.073 94 L CA 0.648 55.615 54.840 0.212 0.000 0.745 94 L CB -0.423 41.687 42.059 0.085 0.000 0.894 94 L HN 0.240 nan 8.230 nan 0.000 0.432 95 L N 0.174 121.542 121.223 0.242 0.000 2.046 95 L HA -0.104 4.251 4.340 0.025 0.000 0.208 95 L C 2.637 179.616 176.870 0.181 0.000 1.077 95 L CA 2.027 57.031 54.840 0.273 0.000 0.747 95 L CB -1.639 40.605 42.059 0.309 0.000 0.896 95 L HN 0.206 nan 8.230 nan 0.000 0.432 96 G N -1.284 107.516 108.800 -0.001 0.000 2.422 96 G HA2 -0.209 3.766 3.960 0.025 0.000 0.218 96 G HA3 -0.209 3.766 3.960 0.025 0.000 0.218 96 G C 1.705 176.462 174.900 -0.239 0.000 1.146 96 G CA 0.849 45.619 45.100 -0.549 0.000 0.769 96 G HN 0.503 nan 8.290 nan 0.000 0.547 97 A N 0.138 122.963 122.820 0.008 0.000 1.902 97 A HA 0.084 4.419 4.320 0.025 0.000 0.217 97 A C 2.589 180.220 177.584 0.077 0.000 1.181 97 A CA 1.856 53.955 52.037 0.104 0.000 0.623 97 A CB -0.572 18.579 19.000 0.253 0.000 0.818 97 A HN 0.259 nan 8.150 nan 0.000 0.443 98 V N -0.200 119.782 119.914 0.114 0.000 2.453 98 V HA -0.174 3.961 4.120 0.025 0.000 0.247 98 V C 3.025 179.130 176.094 0.018 0.000 1.048 98 V CA 1.651 63.987 62.300 0.060 0.000 1.049 98 V CB -1.233 30.656 31.823 0.109 0.000 0.672 98 V HN 0.600 nan 8.190 nan 0.000 0.457 99 A N 0.772 123.593 122.820 0.003 0.000 1.908 99 A HA -0.135 4.200 4.320 0.025 0.000 0.218 99 A C 2.394 179.935 177.584 -0.072 0.000 1.181 99 A CA 2.136 54.159 52.037 -0.023 0.000 0.627 99 A CB -1.164 17.806 19.000 -0.051 0.000 0.818 99 A HN 0.526 nan 8.150 nan 0.000 0.445 100 G N -0.825 107.915 108.800 -0.100 0.000 2.394 100 G HA2 0.082 4.057 3.960 0.025 0.000 0.214 100 G HA3 0.082 4.057 3.960 0.025 0.000 0.214 100 G C 1.749 176.688 174.900 0.066 0.000 1.176 100 G CA 1.248 46.322 45.100 -0.042 0.000 0.786 100 G HN 0.805 nan 8.290 nan 0.000 0.533 101 A N 1.134 123.971 122.820 0.028 0.000 1.972 101 A HA 0.262 4.597 4.320 0.025 0.000 0.219 101 A C 2.766 180.380 177.584 0.051 0.000 1.169 101 A CA 2.182 54.232 52.037 0.022 0.000 0.635 101 A CB -0.659 18.324 19.000 -0.027 0.000 0.810 101 A HN 0.719 nan 8.150 nan 0.000 0.446 102 A N -0.009 122.831 122.820 0.033 0.000 1.877 102 A HA -0.009 4.326 4.320 0.025 0.000 0.216 102 A C 2.375 180.024 177.584 0.109 0.000 1.186 102 A CA 2.282 54.346 52.037 0.045 0.000 0.620 102 A CB -1.268 17.741 19.000 0.015 0.000 0.822 102 A HN 1.169 nan 8.150 nan 0.000 0.443 103 V N -1.715 118.244 119.914 0.076 0.000 2.358 103 V HA -0.164 3.971 4.120 0.025 0.000 0.246 103 V C 2.313 178.523 176.094 0.194 0.000 1.047 103 V CA 1.953 64.297 62.300 0.074 0.000 1.035 103 V CB -1.086 30.685 31.823 -0.087 0.000 0.658 103 V HN 0.372 nan 8.190 nan 0.000 0.452 104 L N 0.016 121.416 121.223 0.294 0.000 2.079 104 L HA -0.140 4.215 4.340 0.025 0.000 0.210 104 L C 2.442 179.365 176.870 0.088 0.000 1.081 104 L CA 2.628 57.605 54.840 0.228 0.000 0.752 104 L CB -1.096 40.977 42.059 0.023 0.000 0.896 104 L HN 0.546 nan 8.230 nan 0.000 0.433 105 Y N 0.217 120.521 120.300 0.008 0.000 2.145 105 Y HA -0.269 4.296 4.550 0.025 0.000 0.286 105 Y C 2.804 178.702 175.900 -0.003 0.000 1.145 105 Y CA 2.131 60.217 58.100 -0.022 0.000 1.148 105 Y CB -0.629 37.809 38.460 -0.037 0.000 0.981 105 Y HN 0.451 nan 8.280 nan 0.000 0.507 106 S N -1.002 114.731 115.700 0.056 0.000 2.399 106 S HA -0.162 4.323 4.470 0.025 0.000 0.231 106 S C 1.832 176.386 174.600 -0.076 0.000 1.022 106 S CA 1.513 59.709 58.200 -0.006 0.000 0.983 106 S CB -1.110 62.148 63.200 0.097 0.000 0.803 106 S HN 0.258 nan 8.310 nan 0.000 0.480 107 V N 2.211 122.110 119.914 -0.024 0.000 2.725 107 V HA 0.052 4.187 4.120 0.025 0.000 0.247 107 V C 1.663 177.738 176.094 -0.032 0.000 1.058 107 V CA 1.217 63.518 62.300 0.002 0.000 1.080 107 V CB -1.236 30.643 31.823 0.095 0.000 0.713 107 V HN 0.802 nan 8.190 nan 0.000 0.465 108 T N -0.500 114.007 114.554 -0.078 0.000 2.907 108 T HA 0.365 4.730 4.350 0.025 0.000 0.298 108 T C -2.394 172.232 174.700 -0.124 0.000 1.017 108 T CA -1.519 60.541 62.100 -0.067 0.000 1.118 108 T CB 1.157 69.969 68.868 -0.093 0.000 0.948 108 T HN 0.070 nan 8.240 nan 0.000 0.531 109 P HA 0.198 nan 4.420 nan 0.000 0.270 109 P C -1.871 175.369 177.300 -0.099 0.000 1.223 109 P CA -1.407 61.654 63.100 -0.065 0.000 0.785 109 P CB -0.046 31.648 31.700 -0.009 0.000 0.923 110 P HA -0.233 nan 4.420 nan 0.000 0.214 110 P C 1.221 178.488 177.300 -0.056 0.000 1.163 110 P CA 2.017 65.068 63.100 -0.081 0.000 0.883 110 P CB -0.397 31.273 31.700 -0.049 0.000 0.788 111 A N -0.811 121.989 122.820 -0.033 0.000 1.978 111 A HA -0.164 4.171 4.320 0.025 0.000 0.220 111 A C 2.324 179.892 177.584 -0.026 0.000 1.170 111 A CA 1.806 53.830 52.037 -0.022 0.000 0.636 111 A CB -1.734 17.264 19.000 -0.005 0.000 0.810 111 A HN 0.032 nan 8.150 nan 0.000 0.448 112 V N 1.091 120.994 119.914 -0.018 0.000 2.244 112 V HA -0.145 3.990 4.120 0.025 0.000 0.244 112 V C 1.457 177.464 176.094 -0.145 0.000 1.042 112 V CA 1.761 64.046 62.300 -0.025 0.000 1.006 112 V CB -0.907 30.957 31.823 0.068 0.000 0.641 112 V HN 0.870 nan 8.190 nan 0.000 0.446 113 R N 1.021 121.435 120.500 -0.143 0.000 2.590 113 R HA 0.415 4.770 4.340 0.025 0.000 0.274 113 R C 0.559 176.793 176.300 -0.109 0.000 1.061 113 R CA 0.986 56.993 56.100 -0.155 0.000 1.081 113 R CB 0.282 30.494 30.300 -0.146 0.000 0.984 113 R HN 0.191 nan 8.270 nan 0.000 0.448 114 G N 0.772 109.506 108.800 -0.111 0.000 2.472 114 G HA2 0.021 3.996 3.960 0.025 0.000 0.199 114 G HA3 0.021 3.996 3.960 0.025 0.000 0.199 114 G C 0.192 175.054 174.900 -0.064 0.000 1.547 114 G CA -0.405 44.644 45.100 -0.085 0.000 0.701 114 G HN 0.577 nan 8.290 nan 0.000 0.623 115 N N 0.473 119.122 118.700 -0.086 0.000 2.238 115 N HA 0.260 5.015 4.740 0.025 0.000 0.235 115 N C 0.240 175.689 175.510 -0.102 0.000 1.209 115 N CA -0.095 52.900 53.050 -0.091 0.000 0.879 115 N CB 1.293 39.718 38.487 -0.105 0.000 1.136 115 N HN 0.309 nan 8.380 nan 0.000 0.517 116 L N 0.267 121.434 121.223 -0.094 0.000 3.898 116 L HA -0.319 4.036 4.340 0.025 0.000 0.407 116 L C 0.160 176.956 176.870 -0.124 0.000 1.207 116 L CA 0.392 55.170 54.840 -0.103 0.000 0.931 116 L CB -2.055 39.967 42.059 -0.063 0.000 2.014 116 L HN 0.265 nan 8.230 nan 0.000 0.858 117 A N -1.125 121.615 122.820 -0.133 0.000 2.971 117 A HA -0.153 4.182 4.320 0.025 0.000 0.280 117 A C 0.102 177.629 177.584 -0.096 0.000 1.430 117 A CA 0.683 52.655 52.037 -0.108 0.000 0.749 117 A CB -1.389 17.559 19.000 -0.086 0.000 1.038 117 A HN 0.803 nan 8.150 nan 0.000 0.510 118 L N 0.766 121.919 121.223 -0.116 0.000 2.477 118 L HA 0.391 4.746 4.340 0.025 0.000 0.272 118 L C 0.435 177.226 176.870 -0.133 0.000 1.157 118 L CA 0.104 54.859 54.840 -0.142 0.000 0.889 118 L CB -0.131 41.836 42.059 -0.152 0.000 1.158 118 L HN 0.409 nan 8.230 nan 0.000 0.473 119 N N 2.829 121.412 118.700 -0.195 0.000 2.348 119 N HA -0.019 4.736 4.740 0.025 0.000 0.286 119 N C -0.495 174.972 175.510 -0.071 0.000 1.371 119 N CA 0.771 53.696 53.050 -0.208 0.000 0.966 119 N CB -0.289 37.815 38.487 -0.640 0.000 1.356 119 N HN 0.724 nan 8.380 nan 0.000 0.490 120 T N -0.032 114.513 114.554 -0.014 0.000 2.771 120 T HA 0.218 4.583 4.350 0.025 0.000 0.291 120 T C 0.358 175.106 174.700 0.079 0.000 0.954 120 T CA -1.053 61.062 62.100 0.025 0.000 1.045 120 T CB 0.922 69.784 68.868 -0.011 0.000 0.917 120 T HN 0.131 nan 8.240 nan 0.000 0.484 121 L N 3.823 125.116 121.223 0.116 0.000 2.453 121 L HA 0.181 4.536 4.340 0.025 0.000 0.272 121 L C 0.683 177.627 176.870 0.124 0.000 1.182 121 L CA 0.081 54.996 54.840 0.124 0.000 0.858 121 L CB -0.184 41.935 42.059 0.099 0.000 1.120 121 L HN 0.915 nan 8.230 nan 0.000 0.474 122 H N 6.827 125.903 119.070 0.009 0.000 2.975 122 H HA 0.041 4.613 4.556 0.026 0.000 0.303 122 H C -1.353 173.962 175.328 -0.021 0.000 1.023 122 H CA -1.081 54.955 56.048 -0.020 0.000 1.473 122 H CB 0.930 30.652 29.762 -0.067 0.000 1.498 122 H HN 0.524 nan 8.280 nan 0.000 0.549 123 P HA -0.331 nan 4.420 nan 0.000 0.221 123 P C 1.395 178.719 177.300 0.041 0.000 0.967 123 P CA 2.582 65.774 63.100 0.152 0.000 1.038 123 P CB -0.194 31.616 31.700 0.183 0.000 0.731 124 G N -1.203 107.560 108.800 -0.062 0.000 2.402 124 G HA2 -0.128 3.847 3.960 0.025 0.000 0.216 124 G HA3 -0.128 3.847 3.960 0.025 0.000 0.216 124 G C 0.208 175.045 174.900 -0.104 0.000 1.162 124 G CA 0.424 45.454 45.100 -0.117 0.000 0.777 124 G HN 0.286 nan 8.290 nan 0.000 0.539 125 V N 2.123 121.947 119.914 -0.149 0.000 2.644 125 V HA 0.232 4.367 4.120 0.025 0.000 0.305 125 V C 1.004 177.094 176.094 -0.008 0.000 1.053 125 V CA 0.140 62.402 62.300 -0.063 0.000 1.186 125 V CB 0.550 32.361 31.823 -0.020 0.000 0.895 125 V HN 0.516 nan 8.190 nan 0.000 0.490 126 S N 3.995 119.695 115.700 0.002 0.000 2.681 126 S HA 0.379 4.864 4.470 0.025 0.000 0.270 126 S C 0.955 175.566 174.600 0.017 0.000 1.209 126 S CA -0.529 57.683 58.200 0.020 0.000 0.988 126 S CB 1.566 64.780 63.200 0.024 0.000 1.006 126 S HN 0.322 nan 8.310 nan 0.000 0.558 127 V N 1.651 121.591 119.914 0.043 0.000 2.407 127 V HA -0.028 4.107 4.120 0.025 0.000 0.248 127 V C 2.657 178.766 176.094 0.024 0.000 1.055 127 V CA 2.310 64.630 62.300 0.033 0.000 1.049 127 V CB -1.676 30.248 31.823 0.169 0.000 0.662 127 V HN 1.045 nan 8.190 nan 0.000 0.455 128 G N -0.821 108.015 108.800 0.062 0.000 2.402 128 G HA2 -0.224 3.751 3.960 0.025 0.000 0.216 128 G HA3 -0.224 3.751 3.960 0.025 0.000 0.216 128 G C 1.461 176.369 174.900 0.014 0.000 1.162 128 G CA 0.598 45.732 45.100 0.058 0.000 0.777 128 G HN 0.561 nan 8.290 nan 0.000 0.539 129 Q N 0.330 120.133 119.800 0.004 0.000 2.167 129 Q HA 0.089 4.444 4.340 0.025 0.000 0.202 129 Q C 2.871 178.853 176.000 -0.031 0.000 0.970 129 Q CA 1.040 56.837 55.803 -0.009 0.000 0.855 129 Q CB -0.217 28.529 28.738 0.012 0.000 0.911 129 Q HN 0.468 nan 8.270 nan 0.000 0.438 130 A N 0.620 123.409 122.820 -0.052 0.000 1.969 130 A HA -0.128 4.207 4.320 0.025 0.000 0.218 130 A C 2.155 179.634 177.584 -0.175 0.000 1.169 130 A CA 1.567 53.535 52.037 -0.116 0.000 0.635 130 A CB -0.542 18.350 19.000 -0.180 0.000 0.810 130 A HN 0.271 nan 8.150 nan 0.000 0.445 131 T N 0.043 114.514 114.554 -0.138 0.000 2.770 131 T HA -0.056 4.309 4.350 0.025 0.000 0.263 131 T C 1.881 176.562 174.700 -0.030 0.000 1.039 131 T CA 1.177 63.212 62.100 -0.109 0.000 1.142 131 T CB -0.355 68.498 68.868 -0.025 0.000 0.868 131 T HN 0.514 nan 8.240 nan 0.000 0.435 132 I N 1.419 121.986 120.570 -0.005 0.000 2.208 132 I HA -0.182 4.003 4.170 0.025 0.000 0.245 132 I C 2.169 178.308 176.117 0.038 0.000 1.097 132 I CA 1.302 62.625 61.300 0.039 0.000 1.363 132 I CB -0.209 37.776 38.000 -0.024 0.000 1.051 132 I HN 0.034 nan 8.210 nan 0.000 0.413 133 V N 1.493 121.378 119.914 -0.048 0.000 2.287 133 V HA -0.266 3.869 4.120 0.025 0.000 0.248 133 V C 2.598 178.720 176.094 0.046 0.000 1.053 133 V CA 2.072 64.352 62.300 -0.034 0.000 1.027 133 V CB -0.905 30.859 31.823 -0.098 0.000 0.646 133 V HN 0.469 nan 8.190 nan 0.000 0.447 134 E N -0.450 119.742 120.200 -0.013 0.000 2.153 134 E HA -0.180 4.185 4.350 0.025 0.000 0.194 134 E C 2.121 178.747 176.600 0.045 0.000 0.988 134 E CA 1.103 57.491 56.400 -0.019 0.000 0.811 134 E CB -0.278 29.356 29.700 -0.111 0.000 0.746 134 E HN 0.513 nan 8.360 nan 0.000 0.466 135 I N 0.209 120.837 120.570 0.095 0.000 2.179 135 I HA -0.251 3.934 4.170 0.025 0.000 0.242 135 I C 1.992 178.186 176.117 0.128 0.000 1.088 135 I CA 1.106 62.477 61.300 0.119 0.000 1.357 135 I CB -0.275 37.833 38.000 0.180 0.000 1.051 135 I HN -0.017 nan 8.210 nan 0.000 0.409 136 F N -0.204 119.721 119.950 -0.041 0.000 2.259 136 F HA -0.104 4.438 4.527 0.025 0.000 0.298 136 F C 2.218 177.992 175.800 -0.044 0.000 1.088 136 F CA 1.040 59.008 58.000 -0.054 0.000 1.358 136 F CB -0.807 38.141 39.000 -0.088 0.000 1.040 136 F HN -0.035 nan 8.300 nan 0.000 0.505 137 L N -0.477 120.835 121.223 0.149 0.000 2.017 137 L HA -0.239 4.116 4.340 0.025 0.000 0.208 137 L C 2.630 179.545 176.870 0.074 0.000 1.073 137 L CA 2.019 56.908 54.840 0.082 0.000 0.745 137 L CB -1.412 40.674 42.059 0.045 0.000 0.894 137 L HN 0.249 nan 8.230 nan 0.000 0.432 138 T N -2.027 112.564 114.554 0.063 0.000 2.904 138 T HA -0.176 4.189 4.350 0.025 0.000 0.267 138 T C 1.901 176.639 174.700 0.063 0.000 1.059 138 T CA 0.762 62.923 62.100 0.102 0.000 1.137 138 T CB -0.499 68.410 68.868 0.069 0.000 0.879 138 T HN 0.254 nan 8.240 nan 0.000 0.467 139 L N 1.348 122.554 121.223 -0.027 0.000 2.012 139 L HA -0.243 4.112 4.340 0.025 0.000 0.210 139 L C 2.983 179.800 176.870 -0.090 0.000 1.073 139 L CA 2.382 57.152 54.840 -0.117 0.000 0.748 139 L CB -0.451 41.466 42.059 -0.236 0.000 0.891 139 L HN 0.454 nan 8.230 nan 0.000 0.431 140 Q N -0.965 118.817 119.800 -0.030 0.000 2.119 140 Q HA -0.267 4.088 4.340 0.025 0.000 0.201 140 Q C 1.969 178.004 176.000 0.058 0.000 0.972 140 Q CA 2.083 57.888 55.803 0.002 0.000 0.847 140 Q CB -1.154 27.603 28.738 0.032 0.000 0.903 140 Q HN 0.467 nan 8.270 nan 0.000 0.433 141 F N 1.057 120.976 119.950 -0.052 0.000 2.102 141 F HA -0.098 4.445 4.527 0.027 0.000 0.298 141 F C 1.883 177.635 175.800 -0.080 0.000 1.105 141 F CA 1.141 59.120 58.000 -0.036 0.000 1.239 141 F CB -0.423 38.575 39.000 -0.003 0.000 0.991 141 F HN 0.002 nan 8.300 nan 0.000 0.474 142 V N 0.251 120.062 119.914 -0.171 0.000 2.343 142 V HA -0.262 3.873 4.120 0.025 0.000 0.247 142 V C 2.393 178.252 176.094 -0.391 0.000 1.051 142 V CA 1.682 63.771 62.300 -0.350 0.000 1.036 142 V CB -0.844 30.794 31.823 -0.308 0.000 0.654 142 V HN 0.388 nan 8.190 nan 0.000 0.451 143 L N -0.239 120.808 121.223 -0.293 0.000 2.131 143 L HA -0.181 4.174 4.340 0.025 0.000 0.210 143 L C 2.403 179.125 176.870 -0.247 0.000 1.092 143 L CA 2.164 56.850 54.840 -0.257 0.000 0.759 143 L CB -0.832 41.146 42.059 -0.134 0.000 0.903 143 L HN 0.498 nan 8.230 nan 0.000 0.435 144 C N -0.731 118.438 119.300 -0.218 0.000 2.476 144 C HA -0.089 4.386 4.460 0.025 0.000 0.278 144 C C 2.712 177.521 174.990 -0.302 0.000 1.274 144 C CA 0.615 59.516 59.018 -0.195 0.000 1.713 144 C CB -0.823 26.851 27.740 -0.110 0.000 2.039 144 C HN 0.574 nan 8.230 nan 0.000 0.484 145 I N -0.159 120.139 120.570 -0.453 0.000 2.286 145 I HA -0.137 4.048 4.170 0.025 0.000 0.248 145 I C 2.340 178.111 176.117 -0.576 0.000 1.115 145 I CA 1.532 62.468 61.300 -0.606 0.000 1.392 145 I CB -0.611 36.990 38.000 -0.665 0.000 1.065 145 I HN 0.246 nan 8.210 nan 0.000 0.418 146 F N 1.382 120.929 119.950 -0.673 0.000 2.102 146 F HA -0.239 4.303 4.527 0.025 0.000 0.298 146 F C 2.598 178.025 175.800 -0.622 0.000 1.105 146 F CA 1.531 59.124 58.000 -0.678 0.000 1.239 146 F CB -0.729 37.779 39.000 -0.820 0.000 0.991 146 F HN 0.002 nan 8.300 nan 0.000 0.474 147 A N -0.946 121.559 122.820 -0.525 0.000 1.873 147 A HA -0.173 4.162 4.320 0.025 0.000 0.215 147 A C 2.232 179.748 177.584 -0.112 0.000 1.186 147 A CA 2.224 54.066 52.037 -0.326 0.000 0.616 147 A CB -1.373 17.518 19.000 -0.182 0.000 0.823 147 A HN 0.356 nan 8.150 nan 0.000 0.442 148 T N -0.758 113.718 114.554 -0.131 0.000 2.653 148 T HA -0.231 4.134 4.350 0.025 0.000 0.268 148 T C 1.674 176.486 174.700 0.187 0.000 1.035 148 T CA 1.948 64.046 62.100 -0.003 0.000 1.154 148 T CB -0.562 68.274 68.868 -0.052 0.000 0.862 148 T HN 0.662 nan 8.240 nan 0.000 0.441 149 Y N 0.501 120.762 120.300 -0.065 0.000 2.420 149 Y HA 0.063 4.628 4.550 0.025 0.000 0.292 149 Y C 1.231 177.113 175.900 -0.030 0.000 1.119 149 Y CA -0.477 57.593 58.100 -0.051 0.000 1.229 149 Y CB -0.042 38.394 38.460 -0.041 0.000 1.026 149 Y HN 0.154 nan 8.280 nan 0.000 0.554 150 D N 2.473 122.952 120.400 0.132 0.000 2.518 150 D HA -0.116 4.539 4.640 0.025 0.000 0.270 150 D C 1.147 177.538 176.300 0.152 0.000 1.338 150 D CA 0.307 54.405 54.000 0.163 0.000 0.983 150 D CB 0.355 41.321 40.800 0.276 0.000 1.126 150 D HN 0.521 nan 8.370 nan 0.000 0.543 151 E N 3.150 123.426 120.200 0.126 0.000 2.070 151 E HA -0.386 3.979 4.350 0.025 0.000 0.197 151 E C 1.839 178.509 176.600 0.117 0.000 1.004 151 E CA 0.706 57.163 56.400 0.095 0.000 0.805 151 E CB -0.149 29.595 29.700 0.073 0.000 0.744 151 E HN 0.313 nan 8.360 nan 0.000 0.451 152 R N 1.383 121.992 120.500 0.181 0.000 2.227 152 R HA -0.169 4.186 4.340 0.025 0.000 0.259 152 R C 1.006 177.397 176.300 0.152 0.000 1.139 152 R CA 2.016 58.254 56.100 0.229 0.000 0.969 152 R CB -0.512 30.080 30.300 0.486 0.000 0.903 152 R HN 0.232 nan 8.270 nan 0.000 0.452 153 R N 0.662 121.220 120.500 0.097 0.000 2.210 153 R HA 0.072 4.427 4.340 0.025 0.000 0.338 153 R C 0.036 176.349 176.300 0.021 0.000 1.062 153 R CA -0.173 55.933 56.100 0.010 0.000 0.902 153 R CB 0.352 30.615 30.300 -0.061 0.000 1.050 153 R HN 0.277 nan 8.270 nan 0.000 0.461 154 N N 3.467 122.177 118.700 0.017 0.000 2.176 154 N HA -0.029 4.726 4.740 0.025 0.000 0.187 154 N C 1.140 176.652 175.510 0.004 0.000 1.043 154 N CA 1.074 54.133 53.050 0.014 0.000 0.851 154 N CB -0.689 37.807 38.487 0.016 0.000 1.018 154 N HN 0.738 nan 8.380 nan 0.000 0.436 155 G N 2.405 111.204 108.800 -0.002 0.000 2.582 155 G HA2 -0.322 3.653 3.960 0.025 0.000 0.369 155 G HA3 -0.322 3.653 3.960 0.025 0.000 0.369 155 G C -0.051 174.848 174.900 -0.002 0.000 1.370 155 G CA 0.995 46.091 45.100 -0.006 0.000 0.955 155 G HN 0.540 nan 8.290 nan 0.000 0.525 156 R N -0.413 120.086 120.500 -0.002 0.000 2.718 156 R HA 0.339 4.694 4.340 0.025 0.000 0.307 156 R C 0.994 177.297 176.300 0.005 0.000 1.244 156 R CA -0.485 55.616 56.100 0.002 0.000 1.348 156 R CB -0.529 29.772 30.300 0.002 0.000 1.304 156 R HN 0.343 nan 8.270 nan 0.000 0.663 157 L N 0.770 121.997 121.223 0.007 0.000 2.187 157 L HA -0.028 4.327 4.340 0.025 0.000 0.213 157 L C 1.539 178.422 176.870 0.021 0.000 1.100 157 L CA 2.061 56.909 54.840 0.013 0.000 0.765 157 L CB -0.817 41.252 42.059 0.016 0.000 0.904 157 L HN 0.814 nan 8.230 nan 0.000 0.437 158 G N -1.426 107.384 108.800 0.016 0.000 2.512 158 G HA2 -0.324 3.651 3.960 0.025 0.000 0.240 158 G HA3 -0.324 3.651 3.960 0.025 0.000 0.240 158 G C 0.124 175.034 174.900 0.017 0.000 1.246 158 G CA -0.083 45.028 45.100 0.017 0.000 0.919 158 G HN 0.257 nan 8.290 nan 0.000 0.577 159 S N 0.951 116.665 115.700 0.022 0.000 2.898 159 S HA 0.255 4.740 4.470 0.025 0.000 0.324 159 S C 2.081 176.696 174.600 0.025 0.000 1.171 159 S CA 0.910 59.119 58.200 0.014 0.000 1.288 159 S CB -0.328 62.880 63.200 0.014 0.000 1.490 159 S HN 2.039 nan 8.310 nan 0.000 0.570 160 V N 3.867 123.796 119.914 0.025 0.000 2.469 160 V HA -0.116 4.019 4.120 0.025 0.000 0.251 160 V C 2.395 178.524 176.094 0.059 0.000 1.064 160 V CA 1.993 64.323 62.300 0.050 0.000 1.066 160 V CB -1.658 30.206 31.823 0.069 0.000 0.667 160 V HN 0.803 nan 8.190 nan 0.000 0.461 161 A N 0.433 123.272 122.820 0.032 0.000 1.929 161 A HA -0.020 4.315 4.320 0.025 0.000 0.216 161 A C 2.136 179.712 177.584 -0.013 0.000 1.176 161 A CA 1.882 53.932 52.037 0.022 0.000 0.628 161 A CB -0.600 18.395 19.000 -0.008 0.000 0.816 161 A HN 0.566 nan 8.150 nan 0.000 0.444 162 L N -0.336 120.868 121.223 -0.033 0.000 2.156 162 L HA 0.060 4.415 4.340 0.025 0.000 0.208 162 L C 2.607 179.442 176.870 -0.059 0.000 1.095 162 L CA 1.784 56.563 54.840 -0.103 0.000 0.770 162 L CB -0.783 41.236 42.059 -0.066 0.000 0.914 162 L HN 0.336 nan 8.230 nan 0.000 0.439 163 A N -0.939 121.909 122.820 0.047 0.000 1.883 163 A HA -0.181 4.154 4.320 0.025 0.000 0.217 163 A C 2.234 179.879 177.584 0.101 0.000 1.186 163 A CA 2.198 54.302 52.037 0.112 0.000 0.624 163 A CB -1.140 17.907 19.000 0.078 0.000 0.822 163 A HN 0.279 nan 8.150 nan 0.000 0.444 164 V N 0.028 119.974 119.914 0.054 0.000 2.490 164 V HA -0.171 3.964 4.120 0.025 0.000 0.250 164 V C 2.777 178.954 176.094 0.138 0.000 1.061 164 V CA 1.761 64.104 62.300 0.073 0.000 1.064 164 V CB -1.561 30.279 31.823 0.028 0.000 0.670 164 V HN 0.630 nan 8.190 nan 0.000 0.461 165 G N -0.310 108.497 108.800 0.012 0.000 2.446 165 G HA2 -0.253 3.722 3.960 0.025 0.000 0.217 165 G HA3 -0.253 3.722 3.960 0.025 0.000 0.217 165 G C 1.398 176.279 174.900 -0.032 0.000 1.168 165 G CA 0.958 46.013 45.100 -0.075 0.000 0.771 165 G HN 0.457 nan 8.290 nan 0.000 0.551 166 F N 1.112 121.122 119.950 0.100 0.000 2.259 166 F HA 0.044 4.585 4.527 0.023 0.000 0.298 166 F C 3.015 178.884 175.800 0.116 0.000 1.088 166 F CA 0.922 58.976 58.000 0.090 0.000 1.358 166 F CB -0.722 38.317 39.000 0.065 0.000 1.040 166 F HN 0.208 nan 8.300 nan 0.000 0.505 167 S N 0.302 116.194 115.700 0.321 0.000 2.370 167 S HA -0.161 4.324 4.470 0.025 0.000 0.226 167 S C 2.185 176.970 174.600 0.309 0.000 1.033 167 S CA 1.038 59.411 58.200 0.288 0.000 1.011 167 S CB -0.457 62.908 63.200 0.275 0.000 0.852 167 S HN 0.318 nan 8.310 nan 0.000 0.457 168 L N 1.366 122.778 121.223 0.315 0.000 2.156 168 L HA -0.029 4.326 4.340 0.025 0.000 0.208 168 L C 2.135 179.102 176.870 0.161 0.000 1.095 168 L CA 2.044 56.949 54.840 0.108 0.000 0.770 168 L CB -1.893 40.174 42.059 0.012 0.000 0.914 168 L HN 0.371 nan 8.230 nan 0.000 0.439 169 T N 0.860 115.529 114.554 0.191 0.000 2.759 169 T HA -0.227 4.138 4.350 0.025 0.000 0.269 169 T C 1.850 176.665 174.700 0.192 0.000 1.042 169 T CA 1.691 63.907 62.100 0.195 0.000 1.140 169 T CB -0.294 68.737 68.868 0.273 0.000 0.864 169 T HN 0.270 nan 8.240 nan 0.000 0.455 170 L N 1.408 122.744 121.223 0.188 0.000 2.027 170 L HA 0.137 4.492 4.340 0.025 0.000 0.206 170 L C 2.604 179.570 176.870 0.159 0.000 1.074 170 L CA 2.092 57.025 54.840 0.156 0.000 0.745 170 L CB -1.228 40.906 42.059 0.126 0.000 0.898 170 L HN 0.262 nan 8.230 nan 0.000 0.433 171 G N -1.823 107.058 108.800 0.134 0.000 2.446 171 G HA2 -0.338 3.637 3.960 0.025 0.000 0.217 171 G HA3 -0.338 3.637 3.960 0.025 0.000 0.217 171 G C 1.343 176.270 174.900 0.045 0.000 1.168 171 G CA 1.231 46.380 45.100 0.082 0.000 0.771 171 G HN 0.569 nan 8.290 nan 0.000 0.551 172 H N -0.398 118.639 119.070 -0.055 0.000 2.357 172 H HA 0.106 4.676 4.556 0.023 0.000 0.301 172 H C 2.404 177.684 175.328 -0.081 0.000 1.082 172 H CA 1.123 57.085 56.048 -0.143 0.000 1.342 172 H CB -0.256 29.357 29.762 -0.248 0.000 1.389 172 H HN 0.261 nan 8.280 nan 0.000 0.511 173 L N -0.590 120.707 121.223 0.124 0.000 2.012 173 L HA -0.222 4.133 4.340 0.025 0.000 0.210 173 L C 2.109 179.031 176.870 0.086 0.000 1.073 173 L CA 1.513 56.392 54.840 0.065 0.000 0.748 173 L CB -0.249 41.886 42.059 0.126 0.000 0.891 173 L HN 0.255 nan 8.230 nan 0.000 0.431 174 F N 0.387 120.375 119.950 0.062 0.000 2.128 174 F HA -0.012 4.531 4.527 0.025 0.000 0.295 174 F C 2.203 178.102 175.800 0.166 0.000 1.100 174 F CA 1.525 59.618 58.000 0.155 0.000 1.260 174 F CB -0.816 38.239 39.000 0.091 0.000 1.009 174 F HN 0.061 nan 8.300 nan 0.000 0.476 175 G N 0.328 109.186 108.800 0.096 0.000 2.450 175 G HA2 -0.341 3.634 3.960 0.025 0.000 0.220 175 G HA3 -0.341 3.634 3.960 0.025 0.000 0.220 175 G C 1.577 176.420 174.900 -0.095 0.000 1.130 175 G CA 1.057 46.133 45.100 -0.040 0.000 0.760 175 G HN 0.395 nan 8.290 nan 0.000 0.557 176 M N -0.309 119.188 119.600 -0.171 0.000 2.108 176 M HA -0.018 4.477 4.480 0.025 0.000 0.261 176 M C 2.191 178.342 176.300 -0.249 0.000 1.066 176 M CA 1.338 56.483 55.300 -0.259 0.000 1.107 176 M CB -0.485 31.873 32.600 -0.403 0.000 1.356 176 M HN 0.415 nan 8.290 nan 0.000 0.406 177 Y N -1.981 118.245 120.300 -0.123 0.000 2.184 177 Y HA -0.245 4.315 4.550 0.015 0.000 0.290 177 Y C 1.982 177.804 175.900 -0.129 0.000 1.129 177 Y CA 1.409 59.398 58.100 -0.185 0.000 1.144 177 Y CB -0.471 37.820 38.460 -0.282 0.000 0.995 177 Y HN 0.182 nan 8.280 nan 0.000 0.513 178 Y N -0.460 119.835 120.300 -0.009 0.000 2.184 178 Y HA -0.128 4.438 4.550 0.027 0.000 0.290 178 Y C 2.038 177.951 175.900 0.021 0.000 1.129 178 Y CA 1.390 59.481 58.100 -0.015 0.000 1.144 178 Y CB -0.674 37.673 38.460 -0.188 0.000 0.995 178 Y HN 0.035 nan 8.280 nan 0.000 0.513 179 T N -3.778 110.863 114.554 0.145 0.000 3.487 179 T HA 0.459 4.824 4.350 0.025 0.000 0.287 179 T C 1.040 175.836 174.700 0.159 0.000 1.004 179 T CA -0.076 62.100 62.100 0.128 0.000 0.977 179 T CB -0.106 68.769 68.868 0.013 0.000 1.180 179 T HN 0.486 nan 8.240 nan 0.000 0.490 180 G N 1.455 110.284 108.800 0.049 0.000 2.341 180 G HA2 0.136 4.111 3.960 0.025 0.000 0.292 180 G HA3 0.136 4.111 3.960 0.025 0.000 0.292 180 G C 0.568 175.431 174.900 -0.062 0.000 1.021 180 G CA 0.217 45.302 45.100 -0.025 0.000 0.905 180 G HN 2.150 nan 8.290 nan 0.000 0.508 181 A N -3.141 119.624 122.820 -0.092 0.000 1.935 181 A HA 0.403 4.738 4.320 0.025 0.000 0.488 181 A C 1.635 179.095 177.584 -0.207 0.000 0.501 181 A CA 1.819 53.718 52.037 -0.229 0.000 0.379 181 A CB -1.047 17.753 19.000 -0.334 0.000 2.852 181 A HN 2.374 nan 8.150 nan 0.000 0.390 182 G N 2.009 110.698 108.800 -0.184 0.000 2.581 182 G HA2 0.610 4.585 3.960 0.025 0.000 0.194 182 G HA3 0.610 4.585 3.960 0.025 0.000 0.194 182 G C 1.107 175.897 174.900 -0.183 0.000 1.814 182 G CA 0.698 45.784 45.100 -0.023 0.000 0.745 182 G HN 2.605 nan 8.290 nan 0.000 0.802 183 M N -0.350 119.194 119.600 -0.094 0.000 2.757 183 M HA -0.202 4.293 4.480 0.025 0.000 0.166 183 M C -0.775 175.476 176.300 -0.082 0.000 0.650 183 M CA 1.781 57.013 55.300 -0.113 0.000 0.561 183 M CB -2.171 30.303 32.600 -0.210 0.000 2.052 183 M HN 0.442 nan 8.290 nan 0.000 0.464 184 N N 0.302 118.975 118.700 -0.046 0.000 2.616 184 N HA 0.389 5.144 4.740 0.025 0.000 0.281 184 N C -2.689 172.789 175.510 -0.052 0.000 1.145 184 N CA -0.998 52.044 53.050 -0.013 0.000 0.919 184 N CB 1.948 40.511 38.487 0.128 0.000 1.509 184 N HN -0.190 nan 8.380 nan 0.000 0.537 185 P HA -0.068 nan 4.420 nan 0.000 0.215 185 P C 1.122 178.410 177.300 -0.021 0.000 1.153 185 P CA 1.545 64.331 63.100 -0.524 0.000 0.853 185 P CB 0.360 31.077 31.700 -1.638 0.000 0.788 186 A N 0.248 123.093 122.820 0.042 0.000 1.883 186 A HA -0.255 4.080 4.320 0.025 0.000 0.217 186 A C 2.435 180.205 177.584 0.311 0.000 1.186 186 A CA 1.727 53.917 52.037 0.255 0.000 0.624 186 A CB -1.219 17.910 19.000 0.214 0.000 0.822 186 A HN 0.007 nan 8.150 nan 0.000 0.444 187 R N -0.018 120.642 120.500 0.267 0.000 2.081 187 R HA -0.118 4.237 4.340 0.025 0.000 0.235 187 R C 2.375 178.761 176.300 0.143 0.000 1.131 187 R CA 2.129 58.374 56.100 0.243 0.000 0.960 187 R CB -0.796 29.679 30.300 0.291 0.000 0.856 187 R HN 0.483 nan 8.270 nan 0.000 0.436 188 S N -0.203 115.571 115.700 0.123 0.000 2.406 188 S HA -0.111 4.374 4.470 0.025 0.000 0.228 188 S C 1.740 176.492 174.600 0.252 0.000 1.020 188 S CA 0.801 59.041 58.200 0.066 0.000 0.965 188 S CB -0.410 62.796 63.200 0.011 0.000 0.798 188 S HN 0.442 nan 8.310 nan 0.000 0.488 189 F N 2.527 122.670 119.950 0.321 0.000 2.113 189 F HA 0.106 4.648 4.527 0.025 0.000 0.297 189 F C 2.320 178.172 175.800 0.087 0.000 1.103 189 F CA 1.121 59.320 58.000 0.331 0.000 1.248 189 F CB -1.091 38.215 39.000 0.509 0.000 0.999 189 F HN 0.249 nan 8.300 nan 0.000 0.475 190 A N 0.675 123.481 122.820 -0.023 0.000 1.883 190 A HA -0.135 4.200 4.320 0.025 0.000 0.217 190 A C -0.150 177.278 177.584 -0.260 0.000 1.186 190 A CA 2.028 53.954 52.037 -0.184 0.000 0.624 190 A CB -2.177 16.817 19.000 -0.009 0.000 0.822 190 A HN 0.370 nan 8.150 nan 0.000 0.444 191 P HA -0.054 nan 4.420 nan 0.000 0.217 191 P C 1.741 178.828 177.300 -0.354 0.000 1.150 191 P CA 1.779 64.742 63.100 -0.229 0.000 0.832 191 P CB -0.087 31.508 31.700 -0.175 0.000 0.787 192 A N -0.459 122.068 122.820 -0.489 0.000 1.877 192 A HA -0.181 4.154 4.320 0.025 0.000 0.216 192 A C 2.242 179.278 177.584 -0.914 0.000 1.186 192 A CA 1.492 53.057 52.037 -0.786 0.000 0.620 192 A CB -1.645 16.726 19.000 -1.048 0.000 0.822 192 A HN 0.187 nan 8.150 nan 0.000 0.443 193 I N -0.906 119.219 120.570 -0.742 0.000 2.233 193 I HA -0.107 4.078 4.170 0.025 0.000 0.243 193 I C 1.363 177.270 176.117 -0.350 0.000 1.093 193 I CA 1.019 62.028 61.300 -0.486 0.000 1.380 193 I CB -0.019 37.691 38.000 -0.484 0.000 1.067 193 I HN 0.132 nan 8.210 nan 0.000 0.413 194 L N 0.927 121.948 121.223 -0.337 0.000 2.700 194 L HA -0.003 4.352 4.340 0.025 0.000 0.240 194 L C 0.313 177.015 176.870 -0.279 0.000 1.162 194 L CA 1.276 55.954 54.840 -0.271 0.000 0.874 194 L CB -1.440 40.489 42.059 -0.217 0.000 1.001 194 L HN 0.371 nan 8.230 nan 0.000 0.447 195 T N -1.092 113.287 114.554 -0.291 0.000 4.314 195 T HA 0.141 4.506 4.350 0.025 0.000 0.234 195 T C 0.200 174.739 174.700 -0.268 0.000 0.954 195 T CA -0.727 61.227 62.100 -0.244 0.000 1.329 195 T CB 0.161 68.910 68.868 -0.200 0.000 0.883 195 T HN -0.062 nan 8.240 nan 0.000 0.577 196 R N 2.375 122.722 120.500 -0.254 0.000 2.902 196 R HA -0.167 4.188 4.340 0.025 0.000 0.154 196 R C -0.365 175.789 176.300 -0.243 0.000 0.422 196 R CA 0.764 56.734 56.100 -0.218 0.000 0.570 196 R CB -1.579 28.672 30.300 -0.082 0.000 1.534 196 R HN 0.576 nan 8.270 nan 0.000 0.500 197 N N 1.380 119.791 118.700 -0.480 0.000 2.655 197 N HA 0.230 4.985 4.740 0.025 0.000 0.277 197 N C -1.566 173.619 175.510 -0.542 0.000 1.177 197 N CA -0.494 52.349 53.050 -0.345 0.000 0.882 197 N CB 0.907 39.243 38.487 -0.251 0.000 1.481 197 N HN 0.048 nan 8.380 nan 0.000 0.547 198 F N 1.332 121.289 119.950 0.012 0.000 2.500 198 F HA 0.455 4.998 4.527 0.026 0.000 0.349 198 F C -0.188 175.702 175.800 0.150 0.000 1.127 198 F CA -0.382 57.664 58.000 0.077 0.000 0.998 198 F CB 2.048 41.114 39.000 0.110 0.000 1.237 198 F HN 0.096 nan 8.300 nan 0.000 0.439 199 T N 3.206 117.960 114.554 0.333 0.000 3.293 199 T HA 0.222 4.587 4.350 0.025 0.000 0.320 199 T C -0.066 174.816 174.700 0.303 0.000 0.995 199 T CA -1.020 61.258 62.100 0.297 0.000 1.041 199 T CB 1.203 70.181 68.868 0.183 0.000 1.058 199 T HN 0.549 nan 8.240 nan 0.000 0.453 200 N N 0.761 119.655 118.700 0.324 0.000 2.857 200 N HA -0.238 4.517 4.740 0.025 0.000 0.242 200 N C 0.742 176.230 175.510 -0.037 0.000 0.983 200 N CA 1.512 54.540 53.050 -0.037 0.000 0.934 200 N CB -1.129 37.358 38.487 -0.001 0.000 1.115 200 N HN 0.870 nan 8.380 nan 0.000 0.593 201 H N 0.256 119.482 119.070 0.259 0.000 2.518 201 H HA -0.111 4.460 4.556 0.025 0.000 0.294 201 H C 1.947 177.568 175.328 0.489 0.000 1.083 201 H CA 2.307 58.608 56.048 0.423 0.000 1.264 201 H CB -0.227 29.835 29.762 0.501 0.000 1.370 201 H HN 0.650 nan 8.280 nan 0.000 0.560 202 W N 0.358 121.825 121.300 0.278 0.000 2.523 202 W HA -0.024 4.653 4.660 0.027 0.000 0.278 202 W C 1.767 178.391 176.519 0.175 0.000 1.236 202 W CA 1.144 58.584 57.345 0.160 0.000 1.306 202 W CB -1.301 28.220 29.460 0.102 0.000 1.101 202 W HN 0.172 nan 8.180 nan 0.000 0.577 203 V N 0.320 119.609 119.914 -1.041 0.000 2.469 203 V HA -0.334 3.801 4.120 0.025 0.000 0.251 203 V C 2.065 177.902 176.094 -0.428 0.000 1.064 203 V CA 1.637 63.351 62.300 -0.977 0.000 1.066 203 V CB -1.533 29.532 31.823 -1.265 0.000 0.667 203 V HN 0.104 nan 8.190 nan 0.000 0.461 204 Y N -0.918 119.277 120.300 -0.175 0.000 2.200 204 Y HA -0.033 4.531 4.550 0.024 0.000 0.290 204 Y C 2.265 178.141 175.900 -0.040 0.000 1.137 204 Y CA 2.138 60.191 58.100 -0.080 0.000 1.163 204 Y CB -0.635 37.807 38.460 -0.029 0.000 0.988 204 Y HN 0.298 nan 8.280 nan 0.000 0.518 205 W N -0.886 120.453 121.300 0.064 0.000 2.409 205 W HA -0.102 4.573 4.660 0.025 0.000 0.299 205 W C 2.341 178.909 176.519 0.082 0.000 1.203 205 W CA 1.359 58.750 57.345 0.077 0.000 1.298 205 W CB -0.815 28.676 29.460 0.051 0.000 1.127 205 W HN -0.248 nan 8.180 nan 0.000 0.528 206 V N 0.204 120.306 119.914 0.313 0.000 2.295 206 V HA -0.212 3.923 4.120 0.025 0.000 0.246 206 V C 2.339 178.507 176.094 0.123 0.000 1.049 206 V CA 2.142 64.583 62.300 0.235 0.000 1.024 206 V CB -1.632 30.386 31.823 0.324 0.000 0.648 206 V HN 0.314 nan 8.190 nan 0.000 0.447 207 G N 0.364 109.192 108.800 0.048 0.000 2.404 207 G HA2 -0.142 3.833 3.960 0.025 0.000 0.215 207 G HA3 -0.142 3.833 3.960 0.025 0.000 0.215 207 G C -0.284 174.632 174.900 0.026 0.000 1.174 207 G CA 0.960 46.070 45.100 0.017 0.000 0.780 207 G HN 0.491 nan 8.290 nan 0.000 0.537 208 P HA -0.010 nan 4.420 nan 0.000 0.217 208 P C 2.117 179.447 177.300 0.051 0.000 1.150 208 P CA 0.611 63.723 63.100 0.020 0.000 0.832 208 P CB 0.033 31.720 31.700 -0.022 0.000 0.787 209 V N -0.487 119.473 119.914 0.076 0.000 2.307 209 V HA -0.208 3.927 4.120 0.025 0.000 0.245 209 V C 2.315 178.436 176.094 0.046 0.000 1.045 209 V CA 1.571 63.928 62.300 0.095 0.000 1.024 209 V CB -1.001 30.888 31.823 0.109 0.000 0.651 209 V HN 0.042 nan 8.190 nan 0.000 0.449 210 I N 0.681 121.275 120.570 0.041 0.000 2.179 210 I HA -0.183 4.002 4.170 0.025 0.000 0.242 210 I C 2.634 178.744 176.117 -0.012 0.000 1.088 210 I CA 1.804 63.113 61.300 0.016 0.000 1.357 210 I CB -1.040 36.980 38.000 0.033 0.000 1.051 210 I HN 0.418 nan 8.210 nan 0.000 0.409 211 G N 0.570 109.367 108.800 -0.005 0.000 2.446 211 G HA2 -0.278 3.697 3.960 0.025 0.000 0.217 211 G HA3 -0.278 3.697 3.960 0.025 0.000 0.217 211 G C 1.865 176.727 174.900 -0.064 0.000 1.168 211 G CA 0.960 46.036 45.100 -0.040 0.000 0.771 211 G HN 0.503 nan 8.290 nan 0.000 0.551 212 A N 0.857 123.663 122.820 -0.024 0.000 1.877 212 A HA 0.134 4.468 4.320 0.025 0.000 0.216 212 A C 2.742 180.262 177.584 -0.107 0.000 1.186 212 A CA 2.245 54.254 52.037 -0.046 0.000 0.620 212 A CB -1.198 17.834 19.000 0.052 0.000 0.822 212 A HN 0.579 nan 8.150 nan 0.000 0.443 213 G N -0.276 108.487 108.800 -0.062 0.000 2.421 213 G HA2 -0.152 3.823 3.960 0.025 0.000 0.216 213 G HA3 -0.152 3.823 3.960 0.025 0.000 0.216 213 G C 1.507 176.323 174.900 -0.139 0.000 1.171 213 G CA 1.247 46.293 45.100 -0.090 0.000 0.775 213 G HN 0.493 nan 8.290 nan 0.000 0.543 214 L N 1.624 122.776 121.223 -0.119 0.000 2.017 214 L HA 0.125 4.480 4.340 0.025 0.000 0.208 214 L C 2.808 179.572 176.870 -0.177 0.000 1.073 214 L CA 2.500 57.261 54.840 -0.132 0.000 0.745 214 L CB -1.079 40.907 42.059 -0.122 0.000 0.894 214 L HN 0.171 nan 8.230 nan 0.000 0.432 215 G N -1.900 106.777 108.800 -0.205 0.000 2.432 215 G HA2 -0.289 3.686 3.960 0.025 0.000 0.219 215 G HA3 -0.289 3.686 3.960 0.025 0.000 0.219 215 G C 1.705 176.392 174.900 -0.354 0.000 1.135 215 G CA 0.958 45.910 45.100 -0.247 0.000 0.767 215 G HN 0.496 nan 8.290 nan 0.000 0.550 216 S N -0.054 115.377 115.700 -0.449 0.000 2.355 216 S HA -0.044 4.441 4.470 0.025 0.000 0.222 216 S C 2.330 176.684 174.600 -0.411 0.000 1.031 216 S CA 1.290 59.068 58.200 -0.704 0.000 0.993 216 S CB -0.299 62.546 63.200 -0.591 0.000 0.859 216 S HN 0.382 nan 8.310 nan 0.000 0.453 217 L N 0.902 121.953 121.223 -0.286 0.000 2.083 217 L HA -0.035 4.320 4.340 0.025 0.000 0.209 217 L C 2.317 179.120 176.870 -0.112 0.000 1.083 217 L CA 1.499 56.185 54.840 -0.256 0.000 0.752 217 L CB -0.405 41.499 42.059 -0.257 0.000 0.899 217 L HN 0.412 nan 8.230 nan 0.000 0.433 218 L N -0.769 120.401 121.223 -0.088 0.000 2.079 218 L HA -0.277 4.078 4.340 0.025 0.000 0.210 218 L C 2.327 179.225 176.870 0.047 0.000 1.081 218 L CA 1.948 56.778 54.840 -0.017 0.000 0.752 218 L CB -0.830 41.200 42.059 -0.049 0.000 0.896 218 L HN 0.404 nan 8.230 nan 0.000 0.433 219 Y N -0.172 120.079 120.300 -0.082 0.000 2.314 219 Y HA -0.165 4.400 4.550 0.025 0.000 0.293 219 Y C 2.001 177.962 175.900 0.103 0.000 1.129 219 Y CA 1.745 59.862 58.100 0.029 0.000 1.201 219 Y CB -0.043 38.448 38.460 0.053 0.000 0.999 219 Y HN 0.339 nan 8.280 nan 0.000 0.541 220 D N -0.731 119.725 120.400 0.095 0.000 2.297 220 D HA -0.099 4.556 4.640 0.025 0.000 0.233 220 D C 2.243 178.623 176.300 0.134 0.000 1.056 220 D CA 1.213 55.256 54.000 0.071 0.000 0.938 220 D CB -1.134 39.716 40.800 0.083 0.000 1.048 220 D HN 0.289 nan 8.370 nan 0.000 0.442 221 F N 0.359 120.294 119.950 -0.025 0.000 2.214 221 F HA -0.219 4.323 4.527 0.025 0.000 0.302 221 F C 1.653 177.425 175.800 -0.047 0.000 1.063 221 F CA 0.521 58.501 58.000 -0.034 0.000 1.319 221 F CB 0.218 39.204 39.000 -0.024 0.000 1.046 221 F HN -0.055 nan 8.300 nan 0.000 0.505 222 L N -1.991 119.310 121.223 0.130 0.000 3.192 222 L HA 0.095 4.450 4.340 0.025 0.000 0.200 222 L C 1.757 178.619 176.870 -0.012 0.000 1.356 222 L CA -0.621 54.244 54.840 0.042 0.000 2.253 222 L CB -1.007 41.077 42.059 0.043 0.000 2.210 222 L HN -0.194 nan 8.230 nan 0.000 0.943 223 L N 0.104 121.315 121.223 -0.020 0.000 2.350 223 L HA -0.325 4.030 4.340 0.025 0.000 0.250 223 L C 0.623 177.464 176.870 -0.048 0.000 1.109 223 L CA 1.921 56.734 54.840 -0.045 0.000 0.820 223 L CB -0.712 41.310 42.059 -0.062 0.000 0.977 223 L HN 0.259 nan 8.230 nan 0.000 0.423 224 F N 2.062 121.717 119.950 -0.491 0.000 2.366 224 F HA 0.455 4.997 4.527 0.025 0.000 0.357 224 F C -2.184 173.413 175.800 -0.338 0.000 1.107 224 F CA -3.171 54.572 58.000 -0.428 0.000 1.208 224 F CB 0.151 38.836 39.000 -0.524 0.000 1.464 224 F HN -0.164 nan 8.300 nan 0.000 0.501 225 P HA 0.143 nan 4.420 nan 0.000 0.272 225 P C -0.902 176.122 177.300 -0.460 0.000 1.254 225 P CA -0.199 62.715 63.100 -0.311 0.000 0.795 225 P CB 0.587 32.189 31.700 -0.165 0.000 1.022 226 R N 0.695 121.055 120.500 -0.232 0.000 2.280 226 R HA 0.257 4.612 4.340 0.025 0.000 0.326 226 R C -0.519 175.698 176.300 -0.137 0.000 1.080 226 R CA -0.387 55.599 56.100 -0.191 0.000 1.002 226 R CB -0.638 29.622 30.300 -0.067 0.000 1.136 226 R HN 0.287 nan 8.270 nan 0.000 0.509 227 L N 4.111 125.233 121.223 -0.168 0.000 2.679 227 L HA 0.007 4.362 4.340 0.025 0.000 0.241 227 L C 0.702 177.541 176.870 -0.051 0.000 1.441 227 L CA 0.928 55.709 54.840 -0.097 0.000 1.181 227 L CB -0.826 41.179 42.059 -0.089 0.000 1.451 227 L HN 0.481 nan 8.230 nan 0.000 0.446 228 K N -1.166 119.212 120.400 -0.037 0.000 2.974 228 K HA 0.472 4.807 4.320 0.025 0.000 0.295 228 K C -0.285 176.312 176.600 -0.005 0.000 1.620 228 K CA -0.365 55.913 56.287 -0.015 0.000 1.124 228 K CB 0.520 33.015 32.500 -0.007 0.000 3.020 228 K HN -0.012 nan 8.250 nan 0.000 0.895 229 S N 0.994 116.698 115.700 0.006 0.000 2.779 229 S HA 0.274 4.759 4.470 0.025 0.000 0.293 229 S C 0.775 175.393 174.600 0.029 0.000 1.150 229 S CA -0.494 57.715 58.200 0.015 0.000 1.057 229 S CB 1.911 65.121 63.200 0.016 0.000 1.021 229 S HN 0.144 nan 8.310 nan 0.000 0.485 230 V N 2.473 122.410 119.914 0.038 0.000 2.379 230 V HA -0.091 4.044 4.120 0.025 0.000 0.245 230 V C 2.517 178.650 176.094 0.065 0.000 1.044 230 V CA 2.161 64.501 62.300 0.066 0.000 1.036 230 V CB -0.399 31.481 31.823 0.096 0.000 0.664 230 V HN 0.836 nan 8.190 nan 0.000 0.453 231 S N -0.481 115.250 115.700 0.051 0.000 2.406 231 S HA -0.202 4.283 4.470 0.025 0.000 0.228 231 S C 2.008 176.632 174.600 0.039 0.000 1.020 231 S CA 1.708 59.936 58.200 0.046 0.000 0.965 231 S CB -0.128 63.093 63.200 0.035 0.000 0.798 231 S HN 0.633 nan 8.310 nan 0.000 0.488 232 E N 1.964 122.184 120.200 0.034 0.000 2.072 232 E HA -0.116 4.249 4.350 0.025 0.000 0.190 232 E C 2.214 178.836 176.600 0.036 0.000 0.982 232 E CA 1.403 57.822 56.400 0.030 0.000 0.803 232 E CB -0.316 29.399 29.700 0.024 0.000 0.755 232 E HN 0.721 nan 8.360 nan 0.000 0.453 233 R N 0.392 120.917 120.500 0.042 0.000 2.120 233 R HA -0.075 4.280 4.340 0.025 0.000 0.234 233 R C 1.909 178.242 176.300 0.055 0.000 1.123 233 R CA 1.446 57.575 56.100 0.049 0.000 0.975 233 R CB -0.905 29.428 30.300 0.054 0.000 0.866 233 R HN 0.202 nan 8.270 nan 0.000 0.446 234 L N 1.995 123.251 121.223 0.055 0.000 2.784 234 L HA -0.006 4.349 4.340 0.025 0.000 0.247 234 L C 1.187 178.087 176.870 0.049 0.000 1.162 234 L CA 0.340 55.214 54.840 0.057 0.000 0.881 234 L CB -0.123 41.969 42.059 0.056 0.000 1.032 234 L HN 0.275 nan 8.230 nan 0.000 0.446 235 S N -0.509 115.218 115.700 0.044 0.000 2.528 235 S HA 0.078 4.563 4.470 0.025 0.000 0.219 235 S C 1.912 176.536 174.600 0.039 0.000 0.985 235 S CA 0.056 58.279 58.200 0.037 0.000 0.914 235 S CB 0.152 63.371 63.200 0.031 0.000 0.776 235 S HN 0.290 nan 8.310 nan 0.000 0.526 236 I N 2.070 122.669 120.570 0.050 0.000 2.361 236 I HA -0.134 4.051 4.170 0.025 0.000 0.251 236 I C 1.945 178.094 176.117 0.054 0.000 1.133 236 I CA 1.138 62.471 61.300 0.055 0.000 1.413 236 I CB -1.297 36.746 38.000 0.073 0.000 1.073 236 I HN 0.327 nan 8.210 nan 0.000 0.424 237 L N 0.485 121.741 121.223 0.055 0.000 2.079 237 L HA -0.200 4.155 4.340 0.025 0.000 0.210 237 L C 1.975 178.867 176.870 0.035 0.000 1.081 237 L CA 1.397 56.268 54.840 0.052 0.000 0.752 237 L CB -0.584 41.506 42.059 0.052 0.000 0.896 237 L HN 0.193 nan 8.230 nan 0.000 0.433 238 K N 0.245 120.662 120.400 0.029 0.000 2.522 238 K HA 0.226 4.561 4.320 0.025 0.000 0.194 238 K C 0.504 177.110 176.600 0.010 0.000 1.026 238 K CA 0.306 56.603 56.287 0.017 0.000 1.119 238 K CB 0.138 32.647 32.500 0.016 0.000 0.856 238 K HN 0.407 nan 8.250 nan 0.000 0.513 239 G N 0.000 108.809 108.800 0.014 0.000 5.446 239 G HA2 0.000 3.975 3.960 0.025 0.000 0.244 239 G HA3 0.000 3.975 3.960 0.025 0.000 0.244 239 G CA 0.000 45.103 45.100 0.005 0.000 0.502 239 G HN 0.000 nan 8.290 nan 0.000 0.925