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 2j7f_1_A DATA FIRST_RESID 3 DATA SEQUENCE VKKFPEGFLW GVATASYQIE GSPLADGAGM SIWHTFSHTP GNVKNGDTGD DATA SEQUENCE VACDHYNRWK EDIEIIEKLG VKAYRFSISW PRILPEGTGR VNQKGLDFYN DATA SEQUENCE RIIDTLLEKG ITPFVTIYHW DLPFALQLKG GWANREIADW FAEYSRVLFE DATA SEQUENCE NFGDRVKNWI TLNEPWVVAI VGHLYGVHAP GMRDIYVAFR AVHNLLRAHA DATA SEQUENCE RAVKVFRETV KDGKIGIVFN NGYFEPASEX XXXXRAVRFM HQFNNYPLFL DATA SEQUENCE NPIYRGDYPE LVLEFAREYL PENYKDDMSE IQEKIDFVGL NYYSGHLVKF DATA SEQUENCE DPXXXAKVSF VERDLPKTAM GWEIVPEGIY WILKKVKEEY NPPEVYITEN DATA SEQUENCE GAAFDDVVSE DGRVHDQNRI DYLKAHIGQA WKAIQEGVPL KGYFVWSLLD DATA SEQUENCE NFEWAEGYSK RFGIVYVDYS TQKRIVKDSG YWYSNVVKNN GLE 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 175.892 176.094 -0.337 0.000 1.182 3 V CA 0.000 62.188 62.300 -0.186 0.000 1.235 3 V CB 0.000 31.755 31.823 -0.114 0.000 1.184 4 K N 3.451 123.552 120.400 -0.499 0.000 2.300 4 K HA 0.505 4.826 4.320 0.001 0.000 0.264 4 K C -0.465 175.852 176.600 -0.471 0.000 1.083 4 K CA -0.480 55.196 56.287 -1.018 0.000 0.958 4 K CB 1.739 33.353 32.500 -1.476 0.000 1.318 4 K HN 0.733 nan 8.250 nan 0.000 0.448 5 K N 2.642 122.966 120.400 -0.127 0.000 2.130 5 K HA 0.325 4.645 4.320 0.001 0.000 0.268 5 K C -0.786 175.983 176.600 0.282 0.000 0.983 5 K CA -0.564 55.812 56.287 0.149 0.000 0.893 5 K CB 0.640 33.209 32.500 0.115 0.000 1.066 5 K HN 0.141 nan 8.250 nan 0.000 0.450 6 F N 2.982 123.024 119.950 0.154 0.000 2.380 6 F HA 0.359 4.886 4.527 0.001 0.000 0.319 6 F C -1.572 174.242 175.800 0.023 0.000 1.113 6 F CA -2.117 55.886 58.000 0.005 0.000 1.056 6 F CB 0.304 39.093 39.000 -0.353 0.000 1.289 6 F HN 0.482 nan 8.300 nan 0.000 0.515 7 P HA -0.013 nan 4.420 nan 0.000 0.268 7 P C -0.986 176.437 177.300 0.206 0.000 1.208 7 P CA -0.236 62.949 63.100 0.141 0.000 0.777 7 P CB 0.333 32.119 31.700 0.143 0.000 0.875 8 E N 1.376 121.666 120.200 0.150 0.000 2.415 8 E HA 0.260 4.611 4.350 0.001 0.000 0.263 8 E C 1.030 177.722 176.600 0.153 0.000 0.995 8 E CA 0.835 57.322 56.400 0.145 0.000 0.915 8 E CB -0.785 28.975 29.700 0.100 0.000 0.951 8 E HN 0.720 nan 8.360 nan 0.000 0.449 9 G N 3.757 112.654 108.800 0.161 0.000 2.153 9 G HA2 -0.331 3.629 3.960 0.001 0.000 0.252 9 G HA3 -0.331 3.629 3.960 0.001 0.000 0.252 9 G C -0.025 174.950 174.900 0.125 0.000 0.994 9 G CA 0.058 45.237 45.100 0.132 0.000 0.698 9 G HN 0.570 nan 8.290 nan 0.000 0.521 10 F N 0.895 120.841 119.950 -0.006 0.000 2.572 10 F HA 0.479 5.006 4.527 0.001 0.000 0.370 10 F C 0.586 176.220 175.800 -0.276 0.000 1.103 10 F CA -0.779 57.128 58.000 -0.155 0.000 1.286 10 F CB 0.440 39.330 39.000 -0.182 0.000 1.105 10 F HN -0.027 nan 8.300 nan 0.000 0.583 11 L N 7.424 128.127 121.223 -0.866 0.000 2.268 11 L HA 0.094 4.434 4.340 0.001 0.000 0.289 11 L C -1.096 175.287 176.870 -0.812 0.000 1.064 11 L CA -0.342 54.140 54.840 -0.597 0.000 0.824 11 L CB -0.273 41.551 42.059 -0.393 0.000 1.202 11 L HN 0.660 nan 8.230 nan 0.000 0.433 12 W N 3.795 124.946 121.300 -0.250 0.000 2.335 12 W HA 0.571 5.232 4.660 0.001 0.000 0.306 12 W C 0.815 177.156 176.519 -0.296 0.000 1.216 12 W CA -0.272 56.962 57.345 -0.184 0.000 1.237 12 W CB 1.415 30.780 29.460 -0.158 0.000 1.243 12 W HN 0.625 nan 8.180 nan 0.000 0.493 13 G N 1.213 109.861 108.800 -0.253 0.000 2.733 13 G HA2 0.729 4.689 3.960 0.001 0.000 0.288 13 G HA3 0.729 4.689 3.960 0.001 0.000 0.288 13 G C -1.214 173.767 174.900 0.135 0.000 1.373 13 G CA -0.956 43.927 45.100 -0.363 0.000 0.895 13 G HN 0.581 nan 8.290 nan 0.000 0.479 14 V N -2.915 117.205 119.914 0.344 0.000 2.960 14 V HA 0.978 5.098 4.120 0.001 0.000 0.315 14 V C -0.037 176.370 176.094 0.522 0.000 1.087 14 V CA -0.890 61.634 62.300 0.373 0.000 0.982 14 V CB 1.420 33.390 31.823 0.245 0.000 1.039 14 V HN 1.739 nan 8.190 nan 0.000 0.437 15 A N 1.943 124.948 122.820 0.308 0.000 2.393 15 A HA 0.976 5.296 4.320 0.001 0.000 0.306 15 A C -0.105 177.422 177.584 -0.095 0.000 1.050 15 A CA 0.032 52.199 52.037 0.217 0.000 0.724 15 A CB 1.738 20.942 19.000 0.341 0.000 1.248 15 A HN 1.737 nan 8.150 nan 0.000 0.424 16 T N -1.384 113.141 114.554 -0.048 0.000 2.742 16 T HA 0.929 5.279 4.350 0.001 0.000 0.282 16 T C -0.260 174.446 174.700 0.010 0.000 1.025 16 T CA -0.243 61.715 62.100 -0.236 0.000 1.020 16 T CB 1.692 70.499 68.868 -0.102 0.000 1.317 16 T HN 2.135 nan 8.240 nan 0.000 0.538 17 A N 0.321 123.108 122.820 -0.055 0.000 2.515 17 A HA 0.705 5.025 4.320 0.001 0.000 0.298 17 A C 1.121 178.682 177.584 -0.038 0.000 1.059 17 A CA -0.154 51.761 52.037 -0.204 0.000 0.698 17 A CB 1.331 19.869 19.000 -0.770 0.000 1.289 17 A HN 1.334 nan 8.150 nan 0.000 0.404 18 S N 0.808 116.569 115.700 0.101 0.000 2.359 18 S HA -0.273 4.197 4.470 0.001 0.000 0.223 18 S C 1.659 176.367 174.600 0.181 0.000 1.039 18 S CA 2.151 60.500 58.200 0.249 0.000 1.042 18 S CB -0.806 62.633 63.200 0.398 0.000 0.915 18 S HN 0.971 nan 8.310 nan 0.000 0.439 19 Y N 2.275 122.614 120.300 0.066 0.000 2.439 19 Y HA 0.053 4.603 4.550 0.000 0.000 0.292 19 Y C 2.591 178.372 175.900 -0.198 0.000 1.130 19 Y CA 1.281 59.374 58.100 -0.011 0.000 1.254 19 Y CB -0.345 38.175 38.460 0.101 0.000 1.000 19 Y HN 0.345 nan 8.280 nan 0.000 0.554 20 Q N -0.471 119.185 119.800 -0.240 0.000 2.245 20 Q HA -0.040 4.301 4.340 0.001 0.000 0.201 20 Q C 1.917 177.835 176.000 -0.136 0.000 0.955 20 Q CA 1.734 57.360 55.803 -0.296 0.000 0.870 20 Q CB 0.124 28.647 28.738 -0.358 0.000 0.945 20 Q HN 0.752 nan 8.270 nan 0.000 0.461 21 I N -4.378 116.138 120.570 -0.090 0.000 4.124 21 I HA 0.148 4.318 4.170 0.001 0.000 0.311 21 I C 1.472 177.641 176.117 0.087 0.000 1.259 21 I CA 0.057 61.355 61.300 -0.002 0.000 1.315 21 I CB 0.121 38.079 38.000 -0.069 0.000 1.223 21 I HN -0.120 nan 8.210 nan 0.000 0.441 22 E N 2.440 122.693 120.200 0.088 0.000 2.047 22 E HA 0.140 4.491 4.350 0.001 0.000 0.191 22 E C 1.400 178.056 176.600 0.093 0.000 0.987 22 E CA 1.002 57.525 56.400 0.206 0.000 0.799 22 E CB -0.277 29.559 29.700 0.226 0.000 0.752 22 E HN 0.654 nan 8.360 nan 0.000 0.449 23 G N 0.512 109.267 108.800 -0.075 0.000 2.749 23 G HA2 -0.334 3.626 3.960 0.001 0.000 0.242 23 G HA3 -0.334 3.626 3.960 0.001 0.000 0.242 23 G C 0.090 174.888 174.900 -0.169 0.000 1.364 23 G CA -0.190 44.842 45.100 -0.113 0.000 0.888 23 G HN 0.295 nan 8.290 nan 0.000 0.566 24 S N -0.318 115.275 115.700 -0.178 0.000 3.550 24 S HA -0.157 4.314 4.470 0.001 0.000 0.372 24 S C -0.468 173.898 174.600 -0.389 0.000 0.966 24 S CA 1.324 59.336 58.200 -0.314 0.000 1.229 24 S CB -0.665 62.225 63.200 -0.516 0.000 0.917 24 S HN 0.988 nan 8.310 nan 0.000 0.496 25 P HA 0.006 nan 4.420 nan 0.000 0.226 25 P C 0.770 177.946 177.300 -0.206 0.000 1.153 25 P CA 0.843 63.862 63.100 -0.135 0.000 0.777 25 P CB 0.047 31.781 31.700 0.056 0.000 0.794 26 L N -2.020 119.060 121.223 -0.238 0.000 2.906 26 L HA 0.381 4.721 4.340 0.001 0.000 0.255 26 L C 1.021 177.779 176.870 -0.188 0.000 1.166 26 L CA -0.578 54.133 54.840 -0.214 0.000 0.977 26 L CB -0.035 41.891 42.059 -0.222 0.000 1.313 26 L HN -0.196 nan 8.230 nan 0.000 0.549 27 A N 0.119 122.777 122.820 -0.269 0.000 2.483 27 A HA 0.134 4.454 4.320 0.001 0.000 0.238 27 A C 0.521 178.020 177.584 -0.142 0.000 1.070 27 A CA 0.037 51.934 52.037 -0.232 0.000 0.770 27 A CB -0.021 18.739 19.000 -0.401 0.000 1.008 27 A HN 0.515 nan 8.150 nan 0.000 0.497 28 D N 0.534 120.914 120.400 -0.033 0.000 2.708 28 D HA -0.206 4.434 4.640 0.001 0.000 0.236 28 D C 1.010 177.323 176.300 0.020 0.000 1.146 28 D CA 2.351 56.368 54.000 0.028 0.000 0.662 28 D CB -1.522 39.340 40.800 0.104 0.000 1.059 28 D HN 1.936 nan 8.370 nan 0.000 0.428 29 G N -1.364 107.432 108.800 -0.008 0.000 2.179 29 G HA2 -0.165 3.795 3.960 0.001 0.000 0.260 29 G HA3 -0.165 3.795 3.960 0.001 0.000 0.260 29 G C 0.562 175.462 174.900 -0.000 0.000 0.977 29 G CA 0.664 45.764 45.100 0.000 0.000 0.641 29 G HN 1.309 nan 8.290 nan 0.000 0.533 30 A N 0.399 123.209 122.820 -0.017 0.000 2.565 30 A HA 0.570 4.890 4.320 0.001 0.000 0.237 30 A C 1.320 178.885 177.584 -0.033 0.000 1.053 30 A CA 1.174 53.206 52.037 -0.008 0.000 0.755 30 A CB 0.226 19.199 19.000 -0.045 0.000 0.980 30 A HN 1.850 nan 8.150 nan 0.000 0.506 31 G N 1.509 110.304 108.800 -0.009 0.000 2.539 31 G HA2 0.456 4.416 3.960 0.001 0.000 0.258 31 G HA3 0.456 4.416 3.960 0.001 0.000 0.258 31 G C 0.304 175.176 174.900 -0.046 0.000 1.202 31 G CA -0.802 44.280 45.100 -0.029 0.000 0.851 31 G HN 0.778 nan 8.290 nan 0.000 0.556 32 M N 0.857 120.416 119.600 -0.068 0.000 2.250 32 M HA 0.178 4.659 4.480 0.001 0.000 0.325 32 M C 0.997 177.332 176.300 0.059 0.000 1.084 32 M CA 0.165 55.412 55.300 -0.089 0.000 1.161 32 M CB 0.818 33.329 32.600 -0.148 0.000 1.481 32 M HN 0.647 nan 8.290 nan 0.000 0.449 33 S N 2.009 117.781 115.700 0.120 0.000 2.704 33 S HA 0.484 4.955 4.470 0.001 0.000 0.305 33 S C 0.855 175.586 174.600 0.218 0.000 1.107 33 S CA -1.015 57.294 58.200 0.182 0.000 0.993 33 S CB 0.867 64.199 63.200 0.221 0.000 1.110 33 S HN 0.797 nan 8.310 nan 0.000 0.534 34 I N -2.763 117.939 120.570 0.220 0.000 2.614 34 I HA 0.077 4.248 4.170 0.001 0.000 0.258 34 I C 1.599 177.719 176.117 0.004 0.000 1.189 34 I CA 0.808 62.206 61.300 0.162 0.000 1.462 34 I CB -0.348 37.697 38.000 0.076 0.000 1.092 34 I HN 0.643 nan 8.210 nan 0.000 0.442 35 W N 0.976 122.262 121.300 -0.022 0.000 2.518 35 W HA -0.065 4.596 4.660 0.001 0.000 0.273 35 W C 2.650 179.079 176.519 -0.149 0.000 1.247 35 W CA 1.493 58.722 57.345 -0.194 0.000 1.288 35 W CB -0.312 28.776 29.460 -0.620 0.000 1.107 35 W HN 0.292 nan 8.180 nan 0.000 0.586 36 H N -0.087 119.021 119.070 0.063 0.000 2.293 36 H HA -0.186 4.370 4.556 0.001 0.000 0.300 36 H C 2.451 177.900 175.328 0.201 0.000 1.082 36 H CA 3.097 59.291 56.048 0.243 0.000 1.308 36 H CB -0.422 29.429 29.762 0.149 0.000 1.375 36 H HN -0.009 nan 8.280 nan 0.000 0.495 37 T N -2.133 112.452 114.554 0.052 0.000 2.821 37 T HA -0.187 4.163 4.350 0.001 0.000 0.267 37 T C 2.025 176.733 174.700 0.013 0.000 1.046 37 T CA 1.229 63.273 62.100 -0.094 0.000 1.139 37 T CB -0.845 67.831 68.868 -0.320 0.000 0.871 37 T HN 0.314 nan 8.240 nan 0.000 0.454 38 F N 3.106 122.990 119.950 -0.110 0.000 2.113 38 F HA -0.044 4.484 4.527 0.002 0.000 0.297 38 F C 2.741 178.509 175.800 -0.052 0.000 1.103 38 F CA 1.712 59.614 58.000 -0.163 0.000 1.248 38 F CB -0.419 38.310 39.000 -0.451 0.000 0.999 38 F HN 0.329 nan 8.300 nan 0.000 0.475 39 S N -1.560 114.256 115.700 0.193 0.000 2.453 39 S HA -0.168 4.303 4.470 0.001 0.000 0.231 39 S C 1.725 176.257 174.600 -0.113 0.000 1.005 39 S CA 0.978 59.276 58.200 0.164 0.000 0.949 39 S CB -0.945 62.515 63.200 0.432 0.000 0.774 39 S HN 0.543 nan 8.310 nan 0.000 0.510 40 H N 1.101 120.101 119.070 -0.117 0.000 2.539 40 H HA 0.208 4.765 4.556 0.000 0.000 0.267 40 H C -0.149 175.094 175.328 -0.142 0.000 0.982 40 H CA 0.555 56.507 56.048 -0.161 0.000 1.146 40 H CB 0.090 29.681 29.762 -0.285 0.000 1.382 40 H HN 0.378 nan 8.280 nan 0.000 0.577 41 T N 3.858 118.349 114.554 -0.105 0.000 2.743 41 T HA 0.199 4.549 4.350 0.001 0.000 0.293 41 T C -2.330 172.271 174.700 -0.165 0.000 0.945 41 T CA -1.413 60.602 62.100 -0.143 0.000 1.030 41 T CB 1.669 70.409 68.868 -0.214 0.000 0.912 41 T HN 0.086 nan 8.240 nan 0.000 0.483 42 P HA 0.293 nan 4.420 nan 0.000 0.268 42 P C 1.063 178.301 177.300 -0.104 0.000 1.204 42 P CA 0.594 63.642 63.100 -0.086 0.000 0.768 42 P CB 0.462 32.131 31.700 -0.051 0.000 0.842 43 G N 2.826 111.573 108.800 -0.087 0.000 2.213 43 G HA2 -0.250 3.711 3.960 0.001 0.000 0.226 43 G HA3 -0.250 3.711 3.960 0.001 0.000 0.226 43 G C 1.160 176.001 174.900 -0.097 0.000 0.992 43 G CA -0.037 45.019 45.100 -0.073 0.000 0.632 43 G HN 0.469 nan 8.290 nan 0.000 0.511 44 N N -0.218 118.362 118.700 -0.200 0.000 2.368 44 N HA 0.233 4.974 4.740 0.001 0.000 0.176 44 N C 0.605 176.095 175.510 -0.033 0.000 1.021 44 N CA 1.366 54.221 53.050 -0.326 0.000 0.888 44 N CB 0.434 38.281 38.487 -1.066 0.000 0.995 44 N HN 0.427 nan 8.380 nan 0.000 0.437 45 V N 0.997 120.929 119.914 0.030 0.000 2.656 45 V HA 0.217 4.337 4.120 0.001 0.000 0.307 45 V C 0.203 176.350 176.094 0.088 0.000 1.051 45 V CA -1.324 61.072 62.300 0.161 0.000 0.893 45 V CB 2.597 34.596 31.823 0.293 0.000 0.999 45 V HN -0.038 nan 8.190 nan 0.000 0.426 46 K N 3.725 124.170 120.400 0.075 0.000 2.511 46 K HA -0.019 4.301 4.320 0.001 0.000 0.280 46 K C 0.779 177.405 176.600 0.043 0.000 1.008 46 K CA 0.647 56.960 56.287 0.044 0.000 1.050 46 K CB -0.040 32.474 32.500 0.024 0.000 0.889 46 K HN 0.808 nan 8.250 nan 0.000 0.484 47 N N 2.521 121.244 118.700 0.038 0.000 2.753 47 N HA -0.209 4.532 4.740 0.001 0.000 0.251 47 N C 0.473 176.008 175.510 0.041 0.000 1.097 47 N CA 1.196 54.269 53.050 0.039 0.000 0.786 47 N CB -1.470 37.046 38.487 0.048 0.000 1.137 47 N HN 1.018 nan 8.380 nan 0.000 0.566 48 G N -0.240 108.580 108.800 0.034 0.000 2.168 48 G HA2 -0.316 3.645 3.960 0.001 0.000 0.257 48 G HA3 -0.316 3.645 3.960 0.001 0.000 0.257 48 G C -0.211 174.714 174.900 0.041 0.000 0.997 48 G CA 0.598 45.708 45.100 0.017 0.000 0.708 48 G HN 0.520 nan 8.290 nan 0.000 0.520 49 D N 0.702 121.170 120.400 0.113 0.000 2.443 49 D HA 0.508 5.149 4.640 0.001 0.000 0.239 49 D C 1.159 177.620 176.300 0.268 0.000 1.136 49 D CA 1.354 55.483 54.000 0.215 0.000 0.879 49 D CB 1.185 42.119 40.800 0.223 0.000 1.195 49 D HN 0.596 nan 8.370 nan 0.000 0.443 50 T N -2.441 112.214 114.554 0.168 0.000 2.804 50 T HA 0.603 4.954 4.350 0.001 0.000 0.290 50 T C 0.830 175.299 174.700 -0.385 0.000 1.099 50 T CA -0.823 61.232 62.100 -0.076 0.000 1.011 50 T CB 1.480 70.183 68.868 -0.275 0.000 1.291 50 T HN 0.159 nan 8.240 nan 0.000 0.523 51 G N -0.215 108.183 108.800 -0.670 0.000 3.383 51 G HA2 0.203 4.163 3.960 0.001 0.000 0.251 51 G HA3 0.203 4.163 3.960 0.001 0.000 0.251 51 G C 0.415 175.063 174.900 -0.422 0.000 1.203 51 G CA -0.190 44.319 45.100 -0.985 0.000 0.852 51 G HN 0.716 nan 8.290 nan 0.000 0.531 52 D N 0.242 120.576 120.400 -0.110 0.000 2.117 52 D HA -0.099 4.542 4.640 0.001 0.000 0.197 52 D C 2.427 178.693 176.300 -0.057 0.000 0.987 52 D CA 0.977 54.982 54.000 0.009 0.000 0.829 52 D CB 0.295 41.159 40.800 0.107 0.000 0.961 52 D HN 0.284 nan 8.370 nan 0.000 0.460 53 V N -0.459 119.410 119.914 -0.075 0.000 2.911 53 V HA 0.364 4.484 4.120 0.001 0.000 0.237 53 V C 1.356 177.409 176.094 -0.068 0.000 1.156 53 V CA 0.570 62.828 62.300 -0.069 0.000 1.180 53 V CB -0.311 31.465 31.823 -0.078 0.000 0.932 53 V HN 0.317 nan 8.190 nan 0.000 0.483 54 A N 0.205 122.974 122.820 -0.085 0.000 5.483 54 A HA -0.382 3.938 4.320 0.001 0.000 0.309 54 A C 1.455 179.072 177.584 0.055 0.000 1.898 54 A CA 1.816 53.869 52.037 0.027 0.000 0.716 54 A CB -2.045 16.959 19.000 0.006 0.000 1.309 54 A HN 0.632 nan 8.150 nan 0.000 0.380 55 C N 0.189 119.580 119.300 0.151 0.000 2.573 55 C HA 0.388 4.848 4.460 0.001 0.000 0.273 55 C C 1.146 176.215 174.990 0.131 0.000 1.346 55 C CA 1.085 60.202 59.018 0.166 0.000 1.702 55 C CB -1.591 26.242 27.740 0.155 0.000 1.751 55 C HN 1.052 nan 8.230 nan 0.000 0.583 56 D N 0.098 120.564 120.400 0.110 0.000 2.737 56 D HA -0.277 4.364 4.640 0.001 0.000 0.233 56 D C 0.726 177.140 176.300 0.191 0.000 1.155 56 D CA 1.042 55.115 54.000 0.121 0.000 0.667 56 D CB -1.456 39.387 40.800 0.071 0.000 1.060 56 D HN 0.771 nan 8.370 nan 0.000 0.427 57 H N -1.612 117.550 119.070 0.153 0.000 2.521 57 H HA -0.106 4.450 4.556 0.001 0.000 0.286 57 H C 1.683 177.230 175.328 0.365 0.000 1.034 57 H CA 1.736 57.916 56.048 0.220 0.000 1.278 57 H CB -0.140 29.754 29.762 0.221 0.000 1.386 57 H HN 0.480 nan 8.280 nan 0.000 0.567 58 Y N 0.429 120.868 120.300 0.233 0.000 2.274 58 Y HA -0.164 4.386 4.550 0.001 0.000 0.290 58 Y C 1.515 177.559 175.900 0.241 0.000 1.145 58 Y CA 1.728 59.886 58.100 0.097 0.000 1.203 58 Y CB 0.054 38.407 38.460 -0.177 0.000 0.984 58 Y HN 0.359 nan 8.280 nan 0.000 0.533 59 N N -0.682 118.139 118.700 0.201 0.000 2.414 59 N HA 0.060 4.800 4.740 0.001 0.000 0.177 59 N C 1.052 176.541 175.510 -0.035 0.000 1.062 59 N CA 0.394 53.511 53.050 0.112 0.000 0.890 59 N CB 0.073 38.609 38.487 0.082 0.000 1.070 59 N HN 0.337 nan 8.380 nan 0.000 0.454 60 R N 1.067 121.530 120.500 -0.061 0.000 2.388 60 R HA 0.108 4.448 4.340 0.001 0.000 0.247 60 R C 1.723 177.800 176.300 -0.372 0.000 0.931 60 R CA -0.229 55.746 56.100 -0.209 0.000 1.082 60 R CB -0.106 30.141 30.300 -0.089 0.000 1.135 60 R HN 0.371 nan 8.270 nan 0.000 0.525 61 W N 1.492 122.501 121.300 -0.485 0.000 2.305 61 W HA -0.254 4.406 4.660 0.000 0.000 0.308 61 W C 1.132 177.432 176.519 -0.364 0.000 1.226 61 W CA 1.004 57.903 57.345 -0.742 0.000 1.253 61 W CB -0.728 28.304 29.460 -0.713 0.000 1.146 61 W HN 0.027 nan 8.180 nan 0.000 0.507 62 K N 1.301 121.004 120.400 -1.161 0.000 2.002 62 K HA -0.265 4.056 4.320 0.001 0.000 0.209 62 K C 2.341 178.678 176.600 -0.440 0.000 1.048 62 K CA 2.123 57.867 56.287 -0.904 0.000 0.930 62 K CB -0.511 31.251 32.500 -1.229 0.000 0.714 62 K HN 0.225 nan 8.250 nan 0.000 0.438 63 E N 0.688 120.648 120.200 -0.400 0.000 2.065 63 E HA -0.273 4.077 4.350 0.001 0.000 0.201 63 E C 1.329 177.830 176.600 -0.166 0.000 1.016 63 E CA 2.153 58.411 56.400 -0.236 0.000 0.818 63 E CB -0.104 29.477 29.700 -0.198 0.000 0.749 63 E HN 0.296 nan 8.360 nan 0.000 0.453 64 D N 0.452 120.766 120.400 -0.143 0.000 2.117 64 D HA -0.147 4.493 4.640 0.001 0.000 0.197 64 D C 2.149 178.371 176.300 -0.130 0.000 0.987 64 D CA 1.218 55.172 54.000 -0.078 0.000 0.829 64 D CB -0.256 40.586 40.800 0.070 0.000 0.961 64 D HN 0.377 nan 8.370 nan 0.000 0.460 65 I N 0.998 121.486 120.570 -0.137 0.000 2.202 65 I HA -0.230 3.941 4.170 0.001 0.000 0.242 65 I C 2.254 178.301 176.117 -0.117 0.000 1.091 65 I CA 1.078 62.288 61.300 -0.150 0.000 1.368 65 I CB -0.282 37.675 38.000 -0.072 0.000 1.058 65 I HN -0.059 nan 8.210 nan 0.000 0.410 66 E N 0.947 121.077 120.200 -0.117 0.000 2.130 66 E HA -0.247 4.104 4.350 0.001 0.000 0.196 66 E C 2.216 178.771 176.600 -0.075 0.000 0.998 66 E CA 1.419 57.763 56.400 -0.094 0.000 0.806 66 E CB -0.153 29.481 29.700 -0.110 0.000 0.738 66 E HN 0.511 nan 8.360 nan 0.000 0.459 67 I N 0.601 121.121 120.570 -0.084 0.000 2.252 67 I HA -0.270 3.900 4.170 0.001 0.000 0.245 67 I C 2.252 178.335 176.117 -0.057 0.000 1.102 67 I CA 0.951 62.212 61.300 -0.065 0.000 1.385 67 I CB -0.238 37.719 38.000 -0.072 0.000 1.064 67 I HN 0.120 nan 8.210 nan 0.000 0.414 68 I N 0.610 121.129 120.570 -0.085 0.000 2.127 68 I HA -0.326 3.844 4.170 0.001 0.000 0.241 68 I C 2.658 178.757 176.117 -0.030 0.000 1.075 68 I CA 1.640 62.900 61.300 -0.067 0.000 1.334 68 I CB -0.526 37.392 38.000 -0.137 0.000 1.040 68 I HN 0.294 nan 8.210 nan 0.000 0.405 69 E N 1.691 121.869 120.200 -0.036 0.000 2.033 69 E HA -0.355 3.996 4.350 0.001 0.000 0.199 69 E C 2.190 178.781 176.600 -0.015 0.000 1.011 69 E CA 2.117 58.506 56.400 -0.019 0.000 0.815 69 E CB -0.095 29.591 29.700 -0.024 0.000 0.755 69 E HN 0.282 nan 8.360 nan 0.000 0.451 70 K N 0.272 120.661 120.400 -0.018 0.000 2.160 70 K HA -0.125 4.195 4.320 0.001 0.000 0.206 70 K C 2.001 178.606 176.600 0.008 0.000 1.047 70 K CA 1.255 57.539 56.287 -0.005 0.000 0.930 70 K CB -0.118 32.381 32.500 -0.001 0.000 0.720 70 K HN 0.235 nan 8.250 nan 0.000 0.450 71 L N -0.642 120.584 121.223 0.005 0.000 2.554 71 L HA 0.125 4.465 4.340 0.001 0.000 0.226 71 L C 1.263 178.115 176.870 -0.030 0.000 1.137 71 L CA 0.539 55.385 54.840 0.009 0.000 0.863 71 L CB -0.241 41.833 42.059 0.024 0.000 0.985 71 L HN 0.633 nan 8.230 nan 0.000 0.451 72 G N 0.331 109.115 108.800 -0.027 0.000 2.155 72 G HA2 -0.271 3.689 3.960 0.001 0.000 0.257 72 G HA3 -0.271 3.689 3.960 0.001 0.000 0.257 72 G C 0.365 175.239 174.900 -0.044 0.000 0.983 72 G CA 0.222 45.297 45.100 -0.041 0.000 0.676 72 G HN 0.139 nan 8.290 nan 0.000 0.528 73 V N 0.512 120.413 119.914 -0.021 0.000 2.599 73 V HA 0.150 4.271 4.120 0.001 0.000 0.300 73 V C 1.578 177.706 176.094 0.055 0.000 1.034 73 V CA 1.261 63.574 62.300 0.021 0.000 1.115 73 V CB 1.323 33.206 31.823 0.101 0.000 0.934 73 V HN 0.455 nan 8.190 nan 0.000 0.485 74 K N 3.203 123.646 120.400 0.072 0.000 2.352 74 K HA 0.433 4.753 4.320 0.001 0.000 0.194 74 K C 0.412 177.071 176.600 0.097 0.000 1.038 74 K CA 0.607 56.941 56.287 0.079 0.000 1.023 74 K CB 0.704 33.256 32.500 0.087 0.000 0.840 74 K HN 0.717 nan 8.250 nan 0.000 0.519 75 A N 0.953 123.823 122.820 0.083 0.000 2.449 75 A HA 0.505 4.825 4.320 0.001 0.000 0.302 75 A C -2.040 175.769 177.584 0.375 0.000 1.048 75 A CA -0.574 51.570 52.037 0.178 0.000 0.708 75 A CB 1.099 20.069 19.000 -0.051 0.000 1.274 75 A HN 0.167 nan 8.150 nan 0.000 0.410 76 Y N 1.817 122.330 120.300 0.355 0.000 2.326 76 Y HA 0.583 5.133 4.550 0.001 0.000 0.329 76 Y C -0.043 176.138 175.900 0.469 0.000 0.973 76 Y CA -1.018 57.313 58.100 0.384 0.000 1.162 76 Y CB 1.275 39.896 38.460 0.269 0.000 1.147 76 Y HN 0.761 nan 8.280 nan 0.000 0.456 77 R N 7.406 127.996 120.500 0.150 0.000 2.207 77 R HA 0.529 4.869 4.340 0.001 0.000 0.334 77 R C -1.694 174.357 176.300 -0.416 0.000 1.013 77 R CA -0.283 55.675 56.100 -0.237 0.000 0.858 77 R CB 0.200 30.176 30.300 -0.540 0.000 1.094 77 R HN 0.566 nan 8.270 nan 0.000 0.457 78 F N 0.926 120.516 119.950 -0.599 0.000 2.629 78 F HA 0.636 5.163 4.527 0.001 0.000 0.316 78 F C -1.023 174.643 175.800 -0.223 0.000 1.081 78 F CA -1.165 56.536 58.000 -0.499 0.000 0.954 78 F CB 1.410 40.006 39.000 -0.673 0.000 1.337 78 F HN 0.397 nan 8.300 nan 0.000 0.474 79 S N 1.365 117.054 115.700 -0.018 0.000 2.607 79 S HA 0.799 5.269 4.470 0.001 0.000 0.303 79 S C -0.935 173.700 174.600 0.058 0.000 1.086 79 S CA -0.741 57.436 58.200 -0.038 0.000 0.995 79 S CB 1.499 64.755 63.200 0.095 0.000 1.084 79 S HN 0.726 nan 8.310 nan 0.000 0.507 80 I N 2.181 122.714 120.570 -0.062 0.000 2.353 80 I HA 0.294 4.465 4.170 0.001 0.000 0.293 80 I C 0.462 176.723 176.117 0.240 0.000 0.992 80 I CA -0.472 60.697 61.300 -0.218 0.000 1.268 80 I CB 1.897 39.696 38.000 -0.336 0.000 1.387 80 I HN 0.778 nan 8.210 nan 0.000 0.478 81 S N 6.597 122.532 115.700 0.391 0.000 2.414 81 S HA -0.012 4.458 4.470 0.001 0.000 0.290 81 S C 0.909 175.796 174.600 0.478 0.000 1.160 81 S CA -0.405 58.082 58.200 0.478 0.000 1.069 81 S CB 0.093 63.593 63.200 0.501 0.000 1.012 81 S HN 0.702 nan 8.310 nan 0.000 0.510 82 W N 7.512 128.918 121.300 0.176 0.000 2.302 82 W HA -0.079 4.582 4.660 0.001 0.000 0.320 82 W C -1.369 175.097 176.519 -0.089 0.000 1.241 82 W CA 1.575 58.777 57.345 -0.238 0.000 1.264 82 W CB -1.769 27.421 29.460 -0.451 0.000 1.154 82 W HN 0.625 nan 8.180 nan 0.000 0.483 83 P HA -0.128 nan 4.420 nan 0.000 0.230 83 P C 1.425 178.825 177.300 0.168 0.000 1.158 83 P CA 1.559 64.730 63.100 0.118 0.000 0.769 83 P CB -0.305 31.430 31.700 0.058 0.000 0.807 84 R N -0.679 119.977 120.500 0.260 0.000 2.115 84 R HA -0.018 4.323 4.340 0.001 0.000 0.230 84 R C 2.057 178.534 176.300 0.295 0.000 1.111 84 R CA 0.954 57.218 56.100 0.273 0.000 0.976 84 R CB -0.401 30.139 30.300 0.399 0.000 0.870 84 R HN 0.213 nan 8.270 nan 0.000 0.445 85 I N 0.265 121.043 120.570 0.346 0.000 2.385 85 I HA -0.022 4.149 4.170 0.001 0.000 0.244 85 I C 0.730 176.992 176.117 0.242 0.000 1.089 85 I CA 0.940 62.439 61.300 0.333 0.000 1.410 85 I CB -0.426 37.829 38.000 0.425 0.000 1.117 85 I HN -0.004 nan 8.210 nan 0.000 0.429 86 L N 1.292 122.664 121.223 0.247 0.000 2.417 86 L HA 0.320 4.661 4.340 0.001 0.000 0.259 86 L C -1.774 175.152 176.870 0.093 0.000 1.023 86 L CA -1.068 53.878 54.840 0.177 0.000 0.901 86 L CB 1.566 43.772 42.059 0.245 0.000 1.227 86 L HN -0.141 nan 8.230 nan 0.000 0.454 87 P HA -0.179 nan 4.420 nan 0.000 0.216 87 P C 0.622 177.890 177.300 -0.053 0.000 1.150 87 P CA 1.280 64.385 63.100 0.009 0.000 0.843 87 P CB 0.295 32.003 31.700 0.013 0.000 0.787 88 E N -1.726 118.431 120.200 -0.071 0.000 2.437 88 E HA 0.192 4.542 4.350 0.001 0.000 0.189 88 E C 1.626 178.082 176.600 -0.241 0.000 1.054 88 E CA 0.653 56.968 56.400 -0.141 0.000 0.874 88 E CB -0.486 29.140 29.700 -0.122 0.000 1.011 88 E HN 0.240 nan 8.360 nan 0.000 0.474 89 G N 1.686 110.349 108.800 -0.228 0.000 2.640 89 G HA2 -0.331 3.630 3.960 0.001 0.000 0.226 89 G HA3 -0.331 3.630 3.960 0.001 0.000 0.226 89 G C 0.743 175.654 174.900 0.019 0.000 1.222 89 G CA 0.740 45.640 45.100 -0.334 0.000 0.729 89 G HN 0.521 nan 8.290 nan 0.000 0.516 90 T N -2.471 112.025 114.554 -0.096 0.000 2.926 90 T HA 0.828 5.178 4.350 0.001 0.000 0.289 90 T C 1.339 176.037 174.700 -0.002 0.000 1.054 90 T CA 0.862 62.965 62.100 0.006 0.000 1.015 90 T CB 1.971 70.808 68.868 -0.051 0.000 1.167 90 T HN 2.350 nan 8.240 nan 0.000 0.526 91 G N 1.657 110.476 108.800 0.031 0.000 2.728 91 G HA2 -0.258 3.702 3.960 0.001 0.000 0.269 91 G HA3 -0.258 3.702 3.960 0.001 0.000 0.269 91 G C 0.046 174.963 174.900 0.029 0.000 1.334 91 G CA 0.064 45.175 45.100 0.019 0.000 0.974 91 G HN 1.017 nan 8.290 nan 0.000 0.550 92 R N 0.460 120.972 120.500 0.020 0.000 2.570 92 R HA 0.418 4.758 4.340 0.001 0.000 0.277 92 R C -0.228 176.102 176.300 0.051 0.000 1.039 92 R CA 0.095 56.212 56.100 0.029 0.000 1.065 92 R CB 0.309 30.621 30.300 0.019 0.000 0.964 92 R HN 0.429 nan 8.270 nan 0.000 0.428 93 V N 4.704 124.650 119.914 0.053 0.000 2.435 93 V HA 0.121 4.241 4.120 0.001 0.000 0.290 93 V C -0.180 175.960 176.094 0.077 0.000 1.030 93 V CA -0.780 61.564 62.300 0.073 0.000 0.881 93 V CB 1.474 33.330 31.823 0.055 0.000 0.983 93 V HN 0.764 nan 8.190 nan 0.000 0.445 94 N N 3.437 122.200 118.700 0.105 0.000 2.462 94 N HA 0.158 4.899 4.740 0.001 0.000 0.242 94 N C 0.788 176.375 175.510 0.128 0.000 1.010 94 N CA -0.216 52.898 53.050 0.107 0.000 0.939 94 N CB 1.484 40.041 38.487 0.117 0.000 1.127 94 N HN 0.614 nan 8.380 nan 0.000 0.509 95 Q N 3.441 123.303 119.800 0.102 0.000 2.135 95 Q HA -0.122 4.219 4.340 0.001 0.000 0.204 95 Q C 0.947 177.029 176.000 0.137 0.000 0.981 95 Q CA 1.856 57.724 55.803 0.108 0.000 0.856 95 Q CB 0.118 28.904 28.738 0.079 0.000 0.902 95 Q HN 0.628 nan 8.270 nan 0.000 0.425 96 K N -1.326 119.152 120.400 0.130 0.000 2.147 96 K HA -0.064 4.257 4.320 0.001 0.000 0.205 96 K C 1.938 178.662 176.600 0.206 0.000 1.049 96 K CA 1.012 57.386 56.287 0.144 0.000 0.936 96 K CB -0.367 32.207 32.500 0.123 0.000 0.722 96 K HN 0.385 nan 8.250 nan 0.000 0.446 97 G N 1.430 110.376 108.800 0.243 0.000 2.404 97 G HA2 -0.214 3.746 3.960 0.001 0.000 0.215 97 G HA3 -0.214 3.746 3.960 0.001 0.000 0.215 97 G C 1.476 176.667 174.900 0.485 0.000 1.174 97 G CA 0.484 45.799 45.100 0.358 0.000 0.780 97 G HN 0.082 nan 8.290 nan 0.000 0.537 98 L N 0.478 121.953 121.223 0.420 0.000 2.042 98 L HA -0.090 4.250 4.340 0.001 0.000 0.210 98 L C 2.598 179.720 176.870 0.419 0.000 1.076 98 L CA 1.268 56.413 54.840 0.508 0.000 0.749 98 L CB -0.470 41.757 42.059 0.279 0.000 0.893 98 L HN 0.093 nan 8.230 nan 0.000 0.432 99 D N -0.112 120.433 120.400 0.241 0.000 2.116 99 D HA -0.250 4.391 4.640 0.001 0.000 0.193 99 D C 1.873 178.169 176.300 -0.008 0.000 0.998 99 D CA 1.316 55.387 54.000 0.118 0.000 0.836 99 D CB -0.361 40.492 40.800 0.089 0.000 0.951 99 D HN 0.183 nan 8.370 nan 0.000 0.449 100 F N 0.758 120.604 119.950 -0.173 0.000 2.063 100 F HA -0.322 4.206 4.527 0.001 0.000 0.298 100 F C 2.116 177.551 175.800 -0.608 0.000 1.109 100 F CA 1.601 59.306 58.000 -0.490 0.000 1.212 100 F CB -0.724 37.969 39.000 -0.512 0.000 0.973 100 F HN -0.000 nan 8.300 nan 0.000 0.480 101 Y N 0.092 120.219 120.300 -0.287 0.000 2.314 101 Y HA -0.124 4.427 4.550 0.001 0.000 0.293 101 Y C 2.463 178.044 175.900 -0.532 0.000 1.129 101 Y CA 1.171 58.983 58.100 -0.481 0.000 1.201 101 Y CB -1.222 37.085 38.460 -0.255 0.000 0.999 101 Y HN 0.087 nan 8.280 nan 0.000 0.541 102 N N 0.556 119.171 118.700 -0.141 0.000 2.061 102 N HA -0.185 4.555 4.740 0.001 0.000 0.193 102 N C 1.858 177.241 175.510 -0.212 0.000 1.030 102 N CA 1.453 54.462 53.050 -0.070 0.000 0.856 102 N CB -0.320 38.255 38.487 0.147 0.000 1.023 102 N HN 0.378 nan 8.380 nan 0.000 0.424 103 R N 0.376 120.649 120.500 -0.380 0.000 2.081 103 R HA 0.009 4.349 4.340 0.001 0.000 0.235 103 R C 2.373 178.306 176.300 -0.613 0.000 1.131 103 R CA 0.840 56.632 56.100 -0.514 0.000 0.960 103 R CB -0.348 29.486 30.300 -0.777 0.000 0.856 103 R HN 0.262 nan 8.270 nan 0.000 0.436 104 I N 0.708 120.778 120.570 -0.834 0.000 2.127 104 I HA -0.319 3.851 4.170 0.001 0.000 0.241 104 I C 2.310 178.246 176.117 -0.301 0.000 1.075 104 I CA 1.490 62.441 61.300 -0.583 0.000 1.334 104 I CB -0.253 37.293 38.000 -0.756 0.000 1.040 104 I HN 0.124 nan 8.210 nan 0.000 0.405 105 I N 0.557 120.964 120.570 -0.273 0.000 2.163 105 I HA -0.337 3.834 4.170 0.001 0.000 0.243 105 I C 2.091 178.183 176.117 -0.042 0.000 1.085 105 I CA 1.520 62.753 61.300 -0.112 0.000 1.347 105 I CB -0.472 37.451 38.000 -0.129 0.000 1.044 105 I HN 0.252 nan 8.210 nan 0.000 0.408 106 D N 0.180 120.550 120.400 -0.050 0.000 2.144 106 D HA -0.129 4.512 4.640 0.001 0.000 0.200 106 D C 2.231 178.544 176.300 0.022 0.000 0.978 106 D CA 1.503 55.504 54.000 0.002 0.000 0.833 106 D CB -0.357 40.447 40.800 0.006 0.000 0.961 106 D HN 0.296 nan 8.370 nan 0.000 0.470 107 T N 1.366 115.936 114.554 0.026 0.000 2.708 107 T HA -0.089 4.262 4.350 0.001 0.000 0.266 107 T C 2.286 177.017 174.700 0.050 0.000 1.037 107 T CA 0.606 62.749 62.100 0.072 0.000 1.146 107 T CB -0.372 68.604 68.868 0.180 0.000 0.865 107 T HN 0.109 nan 8.240 nan 0.000 0.435 108 L N 0.369 121.617 121.223 0.043 0.000 2.013 108 L HA -0.133 4.207 4.340 0.001 0.000 0.212 108 L C 2.466 179.376 176.870 0.067 0.000 1.073 108 L CA 0.903 55.781 54.840 0.064 0.000 0.753 108 L CB -0.656 41.467 42.059 0.106 0.000 0.890 108 L HN 0.208 nan 8.230 nan 0.000 0.432 109 L N -0.231 121.028 121.223 0.059 0.000 2.046 109 L HA -0.199 4.142 4.340 0.001 0.000 0.208 109 L C 2.533 179.432 176.870 0.048 0.000 1.077 109 L CA 1.656 56.531 54.840 0.058 0.000 0.747 109 L CB -1.108 40.983 42.059 0.054 0.000 0.896 109 L HN 0.287 nan 8.230 nan 0.000 0.432 110 E N -0.294 119.931 120.200 0.042 0.000 2.097 110 E HA -0.237 4.114 4.350 0.001 0.000 0.196 110 E C 1.572 178.190 176.600 0.031 0.000 1.000 110 E CA 1.313 57.734 56.400 0.035 0.000 0.804 110 E CB -0.100 29.620 29.700 0.033 0.000 0.740 110 E HN 0.439 nan 8.360 nan 0.000 0.454 111 K N -0.360 120.060 120.400 0.032 0.000 2.476 111 K HA 0.109 4.429 4.320 0.001 0.000 0.196 111 K C 0.712 177.334 176.600 0.036 0.000 1.025 111 K CA 0.411 56.714 56.287 0.026 0.000 1.138 111 K CB 0.671 33.182 32.500 0.017 0.000 0.860 111 K HN 0.232 nan 8.250 nan 0.000 0.515 112 G N 2.214 111.041 108.800 0.046 0.000 2.225 112 G HA2 -0.277 3.684 3.960 0.001 0.000 0.267 112 G HA3 -0.277 3.684 3.960 0.001 0.000 0.267 112 G C 0.038 174.981 174.900 0.071 0.000 1.024 112 G CA 0.126 45.259 45.100 0.055 0.000 0.784 112 G HN 0.299 nan 8.290 nan 0.000 0.507 113 I N 1.049 121.669 120.570 0.084 0.000 2.365 113 I HA 0.295 4.465 4.170 0.001 0.000 0.291 113 I C 0.805 177.017 176.117 0.159 0.000 1.004 113 I CA -0.374 60.999 61.300 0.122 0.000 1.311 113 I CB 1.515 39.590 38.000 0.125 0.000 1.401 113 I HN -0.018 nan 8.210 nan 0.000 0.491 114 T N 8.134 122.803 114.554 0.191 0.000 2.737 114 T HA 0.242 4.593 4.350 0.001 0.000 0.296 114 T C -2.386 172.505 174.700 0.318 0.000 0.922 114 T CA -1.018 61.215 62.100 0.221 0.000 1.079 114 T CB 0.357 69.373 68.868 0.247 0.000 0.892 114 T HN 0.307 nan 8.240 nan 0.000 0.514 115 P HA 0.380 nan 4.420 nan 0.000 0.286 115 P C -0.965 176.367 177.300 0.053 0.000 1.269 115 P CA -0.576 62.674 63.100 0.250 0.000 0.787 115 P CB 0.348 32.169 31.700 0.201 0.000 0.920 116 F N 2.385 122.222 119.950 -0.188 0.000 2.347 116 F HA 0.248 4.775 4.527 0.001 0.000 0.366 116 F C 0.083 175.475 175.800 -0.680 0.000 1.107 116 F CA -0.720 57.035 58.000 -0.409 0.000 1.058 116 F CB 1.315 40.067 39.000 -0.413 0.000 1.236 116 F HN -0.015 nan 8.300 nan 0.000 0.456 117 V N 3.366 122.833 119.914 -0.746 0.000 2.364 117 V HA 0.266 4.386 4.120 0.001 0.000 0.272 117 V C 0.104 175.931 176.094 -0.445 0.000 1.036 117 V CA -0.617 61.127 62.300 -0.927 0.000 0.880 117 V CB 1.292 32.407 31.823 -1.180 0.000 0.991 117 V HN 0.676 nan 8.190 nan 0.000 0.460 118 T N 6.839 121.191 114.554 -0.337 0.000 2.723 118 T HA 0.358 4.708 4.350 0.001 0.000 0.297 118 T C 1.472 176.191 174.700 0.033 0.000 0.925 118 T CA -0.121 61.934 62.100 -0.075 0.000 1.030 118 T CB 0.683 69.554 68.868 0.004 0.000 0.905 118 T HN 0.423 nan 8.240 nan 0.000 0.502 119 I N 1.644 122.306 120.570 0.154 0.000 2.226 119 I HA -0.088 4.083 4.170 0.001 0.000 0.245 119 I C 0.481 176.901 176.117 0.506 0.000 1.100 119 I CA 1.273 62.687 61.300 0.190 0.000 1.374 119 I CB 0.042 38.068 38.000 0.045 0.000 1.057 119 I HN 0.547 nan 8.210 nan 0.000 0.413 120 Y N 0.222 120.788 120.300 0.444 0.000 2.363 120 Y HA 0.350 4.900 4.550 0.001 0.000 0.325 120 Y C -0.427 175.721 175.900 0.414 0.000 0.984 120 Y CA -1.026 57.422 58.100 0.580 0.000 1.248 120 Y CB 0.578 39.484 38.460 0.743 0.000 1.116 120 Y HN 0.023 nan 8.280 nan 0.000 0.470 121 H N 6.208 125.187 119.070 -0.151 0.000 2.429 121 H HA 0.221 4.777 4.556 0.001 0.000 0.237 121 H C -0.804 174.310 175.328 -0.356 0.000 1.378 121 H CA -0.162 55.696 56.048 -0.317 0.000 1.170 121 H CB 0.019 29.648 29.762 -0.222 0.000 1.671 121 H HN 0.842 nan 8.280 nan 0.000 0.541 122 W N -0.287 120.460 121.300 -0.921 0.000 0.882 122 W HA -0.229 4.432 4.660 0.000 0.000 0.228 122 W C -0.090 176.470 176.519 0.069 0.000 0.954 122 W CA 0.718 57.800 57.345 -0.438 0.000 0.359 122 W CB -1.928 27.334 29.460 -0.329 0.000 1.954 122 W HN 0.580 nan 8.180 nan 0.000 1.129 123 D N 1.631 122.219 120.400 0.314 0.000 2.845 123 D HA 0.377 5.017 4.640 0.001 0.000 0.235 123 D C 0.365 176.956 176.300 0.485 0.000 1.158 123 D CA -0.248 54.021 54.000 0.449 0.000 0.990 123 D CB -0.536 40.516 40.800 0.420 0.000 1.094 123 D HN 0.127 nan 8.370 nan 0.000 0.486 124 L N 1.047 122.627 121.223 0.596 0.000 2.525 124 L HA 0.199 4.540 4.340 0.001 0.000 0.278 124 L C -2.316 174.557 176.870 0.005 0.000 1.218 124 L CA -1.090 53.966 54.840 0.360 0.000 0.878 124 L CB 0.189 42.418 42.059 0.283 0.000 1.127 124 L HN -0.002 nan 8.230 nan 0.000 0.492 125 P HA -0.074 nan 4.420 nan 0.000 0.263 125 P C 0.148 177.341 177.300 -0.179 0.000 1.195 125 P CA 0.287 63.206 63.100 -0.303 0.000 0.762 125 P CB 0.206 31.532 31.700 -0.625 0.000 0.799 126 F N 5.059 124.911 119.950 -0.164 0.000 2.154 126 F HA -0.285 4.242 4.527 0.001 0.000 0.301 126 F C 2.086 177.777 175.800 -0.182 0.000 1.087 126 F CA 2.118 60.042 58.000 -0.128 0.000 1.274 126 F CB -0.680 38.283 39.000 -0.061 0.000 1.009 126 F HN 0.366 nan 8.300 nan 0.000 0.485 127 A N 0.285 122.975 122.820 -0.216 0.000 1.940 127 A HA -0.167 4.153 4.320 0.001 0.000 0.219 127 A C 2.306 179.601 177.584 -0.480 0.000 1.176 127 A CA 1.929 53.769 52.037 -0.328 0.000 0.631 127 A CB -1.061 17.789 19.000 -0.250 0.000 0.814 127 A HN 0.502 nan 8.150 nan 0.000 0.446 128 L N -1.556 119.333 121.223 -0.556 0.000 2.179 128 L HA -0.125 4.215 4.340 0.001 0.000 0.208 128 L C 2.731 179.337 176.870 -0.440 0.000 1.096 128 L CA 1.213 55.648 54.840 -0.676 0.000 0.779 128 L CB -0.429 41.136 42.059 -0.823 0.000 0.922 128 L HN 0.411 nan 8.230 nan 0.000 0.443 129 Q N 0.943 120.504 119.800 -0.398 0.000 2.135 129 Q HA -0.192 4.149 4.340 0.001 0.000 0.204 129 Q C 2.128 177.922 176.000 -0.343 0.000 0.981 129 Q CA 1.713 57.331 55.803 -0.307 0.000 0.856 129 Q CB -0.372 28.200 28.738 -0.277 0.000 0.902 129 Q HN 0.464 nan 8.270 nan 0.000 0.425 130 L N -0.098 120.821 121.223 -0.507 0.000 2.191 130 L HA -0.148 4.193 4.340 0.001 0.000 0.212 130 L C 1.418 178.155 176.870 -0.222 0.000 1.103 130 L CA 0.981 55.584 54.840 -0.396 0.000 0.769 130 L CB -0.286 41.510 42.059 -0.439 0.000 0.908 130 L HN 0.070 nan 8.230 nan 0.000 0.438 131 K N -0.017 120.258 120.400 -0.208 0.000 2.446 131 K HA 0.250 4.570 4.320 0.001 0.000 0.203 131 K C 1.182 177.830 176.600 0.080 0.000 1.027 131 K CA 0.691 56.941 56.287 -0.062 0.000 1.166 131 K CB 0.668 33.096 32.500 -0.120 0.000 0.869 131 K HN 0.319 nan 8.250 nan 0.000 0.504 132 G N 0.417 109.220 108.800 0.005 0.000 2.234 132 G HA2 -0.284 3.676 3.960 0.001 0.000 0.235 132 G HA3 -0.284 3.676 3.960 0.001 0.000 0.235 132 G C 0.716 175.648 174.900 0.054 0.000 0.997 132 G CA 0.275 45.400 45.100 0.043 0.000 0.623 132 G HN 0.640 nan 8.290 nan 0.000 0.514 133 G N -0.400 108.431 108.800 0.051 0.000 2.574 133 G HA2 -0.323 3.638 3.960 0.001 0.000 0.286 133 G HA3 -0.323 3.638 3.960 0.001 0.000 0.286 133 G C 0.854 175.670 174.900 -0.139 0.000 1.212 133 G CA 1.061 46.111 45.100 -0.083 0.000 0.979 133 G HN 1.111 nan 8.290 nan 0.000 0.557 134 W N 1.229 122.557 121.300 0.046 0.000 2.611 134 W HA 0.328 4.989 4.660 0.000 0.000 0.251 134 W C 2.875 179.311 176.519 -0.138 0.000 1.265 134 W CA 1.214 58.504 57.345 -0.091 0.000 1.295 134 W CB -0.236 29.109 29.460 -0.192 0.000 1.129 134 W HN 0.751 nan 8.180 nan 0.000 0.630 135 A N -0.059 122.796 122.820 0.058 0.000 2.119 135 A HA -0.095 4.225 4.320 0.001 0.000 0.217 135 A C 1.065 178.654 177.584 0.008 0.000 1.153 135 A CA 0.707 52.757 52.037 0.021 0.000 0.692 135 A CB -0.442 18.581 19.000 0.039 0.000 0.799 135 A HN 0.104 nan 8.150 nan 0.000 0.458 136 N N 0.089 118.768 118.700 -0.036 0.000 2.426 136 N HA 0.193 4.933 4.740 0.001 0.000 0.257 136 N C 0.794 176.162 175.510 -0.236 0.000 1.002 136 N CA -0.336 52.646 53.050 -0.112 0.000 0.942 136 N CB 0.616 39.053 38.487 -0.084 0.000 1.112 136 N HN 0.256 nan 8.380 nan 0.000 0.499 137 R N 2.158 122.566 120.500 -0.153 0.000 2.154 137 R HA -0.175 4.166 4.340 0.001 0.000 0.248 137 R C 0.850 176.959 176.300 -0.318 0.000 1.155 137 R CA 1.560 57.570 56.100 -0.151 0.000 0.979 137 R CB 0.118 30.378 30.300 -0.067 0.000 0.869 137 R HN 0.699 nan 8.270 nan 0.000 0.452 138 E N 0.346 120.239 120.200 -0.511 0.000 2.333 138 E HA -0.178 4.172 4.350 0.001 0.000 0.198 138 E C 1.801 177.472 176.600 -1.549 0.000 1.007 138 E CA 0.457 56.353 56.400 -0.841 0.000 0.845 138 E CB -0.136 29.129 29.700 -0.725 0.000 0.766 138 E HN 0.336 nan 8.360 nan 0.000 0.507 139 I N 0.823 120.561 120.570 -1.387 0.000 2.423 139 I HA -0.313 3.858 4.170 0.001 0.000 0.254 139 I C 2.188 178.148 176.117 -0.262 0.000 1.151 139 I CA 1.006 61.794 61.300 -0.854 0.000 1.421 139 I CB -0.001 37.678 38.000 -0.534 0.000 1.079 139 I HN 0.053 nan 8.210 nan 0.000 0.431 140 A N 0.172 122.868 122.820 -0.208 0.000 1.908 140 A HA -0.260 4.061 4.320 0.001 0.000 0.218 140 A C 2.009 179.607 177.584 0.025 0.000 1.181 140 A CA 2.232 54.261 52.037 -0.013 0.000 0.627 140 A CB -0.730 18.248 19.000 -0.037 0.000 0.818 140 A HN 0.516 nan 8.150 nan 0.000 0.445 141 D N -1.059 119.283 120.400 -0.097 0.000 2.123 141 D HA -0.143 4.497 4.640 0.001 0.000 0.200 141 D C 1.842 178.255 176.300 0.189 0.000 0.976 141 D CA 1.061 55.067 54.000 0.011 0.000 0.831 141 D CB -0.361 40.428 40.800 -0.019 0.000 0.974 141 D HN 0.688 nan 8.370 nan 0.000 0.469 142 W N 0.979 122.367 121.300 0.147 0.000 2.358 142 W HA -0.113 4.548 4.660 0.001 0.000 0.303 142 W C 2.254 178.968 176.519 0.326 0.000 1.208 142 W CA -0.104 57.385 57.345 0.240 0.000 1.274 142 W CB -1.628 27.982 29.460 0.250 0.000 1.138 142 W HN -0.050 nan 8.180 nan 0.000 0.515 143 F N 1.245 121.402 119.950 0.345 0.000 2.134 143 F HA -0.082 4.446 4.527 0.001 0.000 0.299 143 F C 2.396 178.173 175.800 -0.038 0.000 1.097 143 F CA 2.124 60.165 58.000 0.069 0.000 1.264 143 F CB -0.741 38.336 39.000 0.128 0.000 1.001 143 F HN -0.152 nan 8.300 nan 0.000 0.479 144 A N -0.109 122.750 122.820 0.065 0.000 1.902 144 A HA -0.245 4.075 4.320 0.001 0.000 0.217 144 A C 2.240 179.735 177.584 -0.149 0.000 1.181 144 A CA 1.793 53.790 52.037 -0.066 0.000 0.623 144 A CB -1.006 18.010 19.000 0.027 0.000 0.818 144 A HN 0.578 nan 8.150 nan 0.000 0.443 145 E N -1.568 118.613 120.200 -0.031 0.000 2.072 145 E HA -0.252 4.099 4.350 0.001 0.000 0.191 145 E C 1.903 178.439 176.600 -0.107 0.000 0.985 145 E CA 1.451 57.835 56.400 -0.027 0.000 0.801 145 E CB -0.447 29.306 29.700 0.089 0.000 0.750 145 E HN 0.627 nan 8.360 nan 0.000 0.452 146 Y N 1.935 122.046 120.300 -0.316 0.000 2.053 146 Y HA -0.248 4.303 4.550 0.001 0.000 0.277 146 Y C 2.463 177.936 175.900 -0.711 0.000 1.159 146 Y CA 2.005 59.770 58.100 -0.557 0.000 1.125 146 Y CB -0.882 36.905 38.460 -1.122 0.000 0.969 146 Y HN 0.026 nan 8.280 nan 0.000 0.492 147 S N 0.585 115.574 115.700 -1.184 0.000 2.359 147 S HA -0.290 4.180 4.470 0.001 0.000 0.223 147 S C 2.143 175.874 174.600 -1.449 0.000 1.039 147 S CA 1.701 58.980 58.200 -1.535 0.000 1.042 147 S CB -0.523 61.901 63.200 -1.294 0.000 0.915 147 S HN 0.494 nan 8.310 nan 0.000 0.439 148 R N 0.617 120.677 120.500 -0.734 0.000 2.103 148 R HA -0.117 4.224 4.340 0.001 0.000 0.242 148 R C 2.135 178.217 176.300 -0.364 0.000 1.142 148 R CA 1.486 57.358 56.100 -0.380 0.000 0.960 148 R CB -0.498 29.704 30.300 -0.165 0.000 0.858 148 R HN 0.282 nan 8.270 nan 0.000 0.439 149 V N 1.394 121.092 119.914 -0.359 0.000 2.287 149 V HA -0.283 3.837 4.120 0.001 0.000 0.248 149 V C 2.374 178.241 176.094 -0.377 0.000 1.053 149 V CA 1.826 63.963 62.300 -0.272 0.000 1.027 149 V CB -0.388 31.348 31.823 -0.146 0.000 0.646 149 V HN 0.357 nan 8.190 nan 0.000 0.447 150 L N -1.355 119.548 121.223 -0.534 0.000 2.046 150 L HA -0.159 4.182 4.340 0.001 0.000 0.208 150 L C 2.535 179.270 176.870 -0.226 0.000 1.077 150 L CA 1.562 56.159 54.840 -0.406 0.000 0.747 150 L CB -0.771 41.078 42.059 -0.350 0.000 0.896 150 L HN 0.258 nan 8.230 nan 0.000 0.432 151 F N 0.721 120.424 119.950 -0.413 0.000 2.102 151 F HA -0.197 4.330 4.527 0.001 0.000 0.298 151 F C 2.573 178.256 175.800 -0.196 0.000 1.105 151 F CA 1.102 58.860 58.000 -0.402 0.000 1.239 151 F CB -1.009 37.716 39.000 -0.458 0.000 0.991 151 F HN 0.086 nan 8.300 nan 0.000 0.474 152 E N -0.084 120.091 120.200 -0.043 0.000 2.077 152 E HA -0.166 4.185 4.350 0.001 0.000 0.193 152 E C 2.046 178.602 176.600 -0.073 0.000 0.989 152 E CA 1.201 57.564 56.400 -0.061 0.000 0.800 152 E CB -0.163 29.483 29.700 -0.090 0.000 0.746 152 E HN 0.351 nan 8.360 nan 0.000 0.452 153 N N -0.813 117.766 118.700 -0.202 0.000 2.290 153 N HA -0.034 4.706 4.740 0.001 0.000 0.179 153 N C 0.758 176.215 175.510 -0.089 0.000 1.016 153 N CA 0.861 53.730 53.050 -0.303 0.000 0.871 153 N CB 0.254 38.303 38.487 -0.731 0.000 0.987 153 N HN 0.132 nan 8.380 nan 0.000 0.431 154 F N -0.637 119.457 119.950 0.239 0.000 2.728 154 F HA 0.378 4.905 4.527 0.001 0.000 0.314 154 F C 2.146 178.180 175.800 0.391 0.000 1.094 154 F CA -0.585 57.597 58.000 0.303 0.000 1.217 154 F CB -0.517 38.699 39.000 0.360 0.000 1.056 154 F HN -0.119 nan 8.300 nan 0.000 0.577 155 G N 0.566 109.686 108.800 0.532 0.000 2.598 155 G HA2 -0.179 3.781 3.960 0.001 0.000 0.215 155 G HA3 -0.179 3.781 3.960 0.001 0.000 0.215 155 G C 1.367 176.424 174.900 0.262 0.000 1.131 155 G CA 0.952 46.333 45.100 0.468 0.000 0.785 155 G HN 0.406 nan 8.290 nan 0.000 0.539 156 D N 0.463 120.986 120.400 0.204 0.000 2.264 156 D HA -0.062 4.579 4.640 0.001 0.000 0.208 156 D C 2.144 178.532 176.300 0.146 0.000 0.966 156 D CA 0.618 54.699 54.000 0.135 0.000 0.864 156 D CB -0.099 40.765 40.800 0.107 0.000 0.933 156 D HN 0.354 nan 8.370 nan 0.000 0.499 157 R N -0.250 120.367 120.500 0.194 0.000 2.243 157 R HA 0.241 4.581 4.340 0.001 0.000 0.193 157 R C 0.299 176.674 176.300 0.124 0.000 0.933 157 R CA -0.067 56.120 56.100 0.145 0.000 1.105 157 R CB 0.920 31.300 30.300 0.134 0.000 1.169 157 R HN -0.065 nan 8.270 nan 0.000 0.599 158 V N 2.910 122.920 119.914 0.159 0.000 2.488 158 V HA 0.117 4.237 4.120 0.001 0.000 0.277 158 V C 0.558 176.747 176.094 0.158 0.000 1.046 158 V CA 0.248 62.533 62.300 -0.025 0.000 0.986 158 V CB 1.527 33.106 31.823 -0.406 0.000 0.989 158 V HN 0.200 nan 8.190 nan 0.000 0.475 159 K N 2.486 122.891 120.400 0.008 0.000 2.438 159 K HA 0.293 4.613 4.320 0.001 0.000 0.206 159 K C -0.110 176.533 176.600 0.073 0.000 1.081 159 K CA 0.018 56.408 56.287 0.171 0.000 1.053 159 K CB 0.572 33.130 32.500 0.097 0.000 0.908 159 K HN 0.556 nan 8.250 nan 0.000 0.556 160 N N 0.418 118.906 118.700 -0.353 0.000 2.442 160 N HA 0.221 4.962 4.740 0.001 0.000 0.274 160 N C -1.257 173.850 175.510 -0.672 0.000 1.002 160 N CA -0.301 52.377 53.050 -0.621 0.000 0.910 160 N CB 1.073 38.610 38.487 -1.583 0.000 1.244 160 N HN -0.083 nan 8.380 nan 0.000 0.492 161 W N 1.984 123.131 121.300 -0.255 0.000 2.819 161 W HA 0.591 5.251 4.660 0.001 0.000 0.337 161 W C -0.156 176.279 176.519 -0.140 0.000 1.077 161 W CA -0.529 56.690 57.345 -0.210 0.000 1.226 161 W CB 1.454 30.740 29.460 -0.290 0.000 1.419 161 W HN 0.205 nan 8.180 nan 0.000 0.502 162 I N 2.776 123.415 120.570 0.116 0.000 2.410 162 I HA 0.149 4.319 4.170 0.001 0.000 0.286 162 I C 1.322 177.496 176.117 0.096 0.000 1.009 162 I CA -0.414 60.906 61.300 0.033 0.000 1.111 162 I CB 2.020 40.024 38.000 0.006 0.000 1.262 162 I HN 0.650 nan 8.210 nan 0.000 0.443 163 T N 4.824 119.441 114.554 0.104 0.000 2.614 163 T HA 0.002 4.352 4.350 0.001 0.000 0.263 163 T C 0.609 175.503 174.700 0.324 0.000 1.055 163 T CA 0.947 63.225 62.100 0.297 0.000 1.162 163 T CB -0.117 68.992 68.868 0.401 0.000 0.863 163 T HN 0.356 nan 8.240 nan 0.000 0.414 164 L N 1.475 122.750 121.223 0.086 0.000 2.386 164 L HA 0.549 4.890 4.340 0.001 0.000 0.271 164 L C -0.774 176.021 176.870 -0.125 0.000 0.993 164 L CA -1.086 53.766 54.840 0.019 0.000 0.819 164 L CB 1.826 43.770 42.059 -0.192 0.000 1.294 164 L HN 0.133 nan 8.230 nan 0.000 0.414 165 N N 2.171 120.817 118.700 -0.090 0.000 2.414 165 N HA 0.149 4.890 4.740 0.001 0.000 0.256 165 N C -0.645 174.836 175.510 -0.048 0.000 1.029 165 N CA -0.085 52.815 53.050 -0.250 0.000 0.948 165 N CB 0.453 38.475 38.487 -0.774 0.000 1.102 165 N HN 0.585 nan 8.380 nan 0.000 0.496 166 E N 1.983 122.121 120.200 -0.103 0.000 2.222 166 E HA -0.174 4.177 4.350 0.001 0.000 0.189 166 E C -1.743 174.814 176.600 -0.072 0.000 1.415 166 E CA 0.068 56.482 56.400 0.023 0.000 0.689 166 E CB -0.584 29.245 29.700 0.214 0.000 1.107 166 E HN 0.673 nan 8.360 nan 0.000 0.350 167 P HA -0.214 nan 4.420 nan 0.000 0.219 167 P C 1.289 178.485 177.300 -0.174 0.000 1.146 167 P CA 1.195 64.031 63.100 -0.440 0.000 0.808 167 P CB -0.076 31.116 31.700 -0.847 0.000 0.779 168 W N 1.165 122.401 121.300 -0.108 0.000 2.335 168 W HA -0.201 4.460 4.660 0.001 0.000 0.311 168 W C 2.033 178.406 176.519 -0.243 0.000 1.213 168 W CA 1.473 58.810 57.345 -0.013 0.000 1.274 168 W CB -0.914 28.548 29.460 0.005 0.000 1.148 168 W HN -0.305 nan 8.180 nan 0.000 0.498 169 V N 0.295 120.186 119.914 -0.039 0.000 2.295 169 V HA -0.342 3.778 4.120 0.001 0.000 0.246 169 V C 2.176 177.880 176.094 -0.650 0.000 1.049 169 V CA 1.894 63.977 62.300 -0.363 0.000 1.024 169 V CB -1.460 30.236 31.823 -0.210 0.000 0.648 169 V HN 0.165 nan 8.190 nan 0.000 0.447 170 V N 0.402 119.930 119.914 -0.644 0.000 2.231 170 V HA -0.352 3.768 4.120 0.001 0.000 0.250 170 V C 2.697 178.582 176.094 -0.349 0.000 1.058 170 V CA 2.547 64.505 62.300 -0.569 0.000 1.022 170 V CB -1.274 30.243 31.823 -0.510 0.000 0.640 170 V HN 0.581 nan 8.190 nan 0.000 0.445 171 A N -0.226 122.341 122.820 -0.422 0.000 1.841 171 A HA -0.118 4.202 4.320 0.001 0.000 0.214 171 A C 2.111 179.392 177.584 -0.504 0.000 1.195 171 A CA 1.923 53.709 52.037 -0.419 0.000 0.611 171 A CB -0.482 18.241 19.000 -0.460 0.000 0.835 171 A HN 0.405 nan 8.150 nan 0.000 0.443 172 I N -0.210 119.821 120.570 -0.898 0.000 2.277 172 I HA -0.095 4.075 4.170 0.001 0.000 0.243 172 I C 2.489 177.967 176.117 -1.066 0.000 1.094 172 I CA 1.018 61.631 61.300 -1.144 0.000 1.393 172 I CB -1.359 35.539 38.000 -1.836 0.000 1.078 172 I HN 0.122 nan 8.210 nan 0.000 0.417 173 V N 1.192 120.520 119.914 -0.978 0.000 2.548 173 V HA -0.062 4.058 4.120 0.001 0.000 0.249 173 V C 2.605 178.415 176.094 -0.472 0.000 1.055 173 V CA 1.732 63.643 62.300 -0.648 0.000 1.065 173 V CB -1.327 30.108 31.823 -0.645 0.000 0.681 173 V HN 0.483 nan 8.190 nan 0.000 0.462 174 G N -0.817 107.701 108.800 -0.469 0.000 2.403 174 G HA2 -0.177 3.784 3.960 0.001 0.000 0.216 174 G HA3 -0.177 3.784 3.960 0.001 0.000 0.216 174 G C 1.197 175.766 174.900 -0.551 0.000 1.154 174 G CA 0.809 45.613 45.100 -0.493 0.000 0.784 174 G HN 0.666 nan 8.290 nan 0.000 0.538 175 H N -2.082 116.802 119.070 -0.309 0.000 3.170 175 H HA 0.368 4.925 4.556 0.001 0.000 0.264 175 H C 1.454 176.659 175.328 -0.205 0.000 1.113 175 H CA -0.178 55.740 56.048 -0.216 0.000 1.194 175 H CB 0.886 30.535 29.762 -0.188 0.000 1.553 175 H HN 0.269 nan 8.280 nan 0.000 0.538 176 L N -1.233 119.877 121.223 -0.189 0.000 2.586 176 L HA 0.154 4.495 4.340 0.001 0.000 0.204 176 L C 0.981 177.857 176.870 0.010 0.000 1.053 176 L CA 1.001 55.751 54.840 -0.151 0.000 0.856 176 L CB -0.305 41.578 42.059 -0.293 0.000 1.192 176 L HN 0.008 nan 8.230 nan 0.000 0.484 177 Y N 1.049 121.272 120.300 -0.129 0.000 2.337 177 Y HA 0.385 4.935 4.550 0.001 0.000 0.293 177 Y C 2.023 177.883 175.900 -0.067 0.000 1.123 177 Y CA 0.197 58.245 58.100 -0.087 0.000 1.201 177 Y CB -1.000 37.392 38.460 -0.114 0.000 1.011 177 Y HN 0.316 nan 8.280 nan 0.000 0.545 178 G N -0.397 108.424 108.800 0.034 0.000 2.160 178 G HA2 -0.278 3.682 3.960 0.001 0.000 0.251 178 G HA3 -0.278 3.682 3.960 0.001 0.000 0.251 178 G C 1.012 175.977 174.900 0.109 0.000 1.008 178 G CA 0.568 45.678 45.100 0.017 0.000 0.724 178 G HN 0.293 nan 8.290 nan 0.000 0.514 179 V N -0.572 119.391 119.914 0.080 0.000 3.052 179 V HA 0.151 4.271 4.120 0.001 0.000 0.254 179 V C 1.311 177.584 176.094 0.298 0.000 1.100 179 V CA 1.515 63.931 62.300 0.194 0.000 1.112 179 V CB -0.215 31.670 31.823 0.104 0.000 0.738 179 V HN 0.663 nan 8.190 nan 0.000 0.469 180 H N -1.264 117.673 119.070 -0.222 0.000 2.710 180 H HA 0.658 5.214 4.556 0.001 0.000 0.361 180 H C 0.321 174.717 175.328 -1.554 0.000 1.175 180 H CA -0.661 55.000 56.048 -0.644 0.000 1.206 180 H CB 1.518 31.098 29.762 -0.303 0.000 1.750 180 H HN 0.319 nan 8.280 nan 0.000 0.553 181 A N 2.345 123.759 122.820 -2.342 0.000 2.561 181 A HA 0.002 4.323 4.320 0.001 0.000 0.234 181 A C -1.593 175.484 177.584 -0.846 0.000 1.055 181 A CA -0.771 50.208 52.037 -1.763 0.000 0.756 181 A CB -0.184 17.796 19.000 -1.700 0.000 0.986 181 A HN 0.613 nan 8.150 nan 0.000 0.505 182 P HA 0.116 nan 4.420 nan 0.000 0.255 182 P C 0.705 177.867 177.300 -0.230 0.000 1.301 182 P CA 0.924 63.799 63.100 -0.375 0.000 0.817 182 P CB -0.120 31.455 31.700 -0.208 0.000 1.259 183 G N 0.283 108.863 108.800 -0.367 0.000 2.212 183 G HA2 -0.277 3.684 3.960 0.001 0.000 0.255 183 G HA3 -0.277 3.684 3.960 0.001 0.000 0.255 183 G C -0.276 174.623 174.900 -0.000 0.000 1.062 183 G CA 0.105 45.223 45.100 0.029 0.000 0.815 183 G HN 0.425 nan 8.290 nan 0.000 0.497 184 M N -0.885 118.643 119.600 -0.121 0.000 2.528 184 M HA 0.775 5.255 4.480 0.001 0.000 0.318 184 M C 0.434 176.717 176.300 -0.028 0.000 1.195 184 M CA -0.957 54.311 55.300 -0.054 0.000 1.000 184 M CB 1.051 33.618 32.600 -0.054 0.000 1.615 184 M HN 0.099 nan 8.290 nan 0.000 0.469 185 R N 2.014 122.518 120.500 0.006 0.000 2.629 185 R HA 0.298 4.639 4.340 0.001 0.000 0.277 185 R C -1.623 174.688 176.300 0.018 0.000 1.637 185 R CA -0.336 55.776 56.100 0.019 0.000 1.663 185 R CB 0.410 30.730 30.300 0.033 0.000 1.228 185 R HN 0.457 nan 8.270 nan 0.000 0.632 186 D N 1.799 122.206 120.400 0.011 0.000 2.616 186 D HA 0.078 4.718 4.640 0.001 0.000 0.238 186 D C 0.372 176.667 176.300 -0.008 0.000 1.354 186 D CA -0.444 53.570 54.000 0.022 0.000 0.970 186 D CB 1.494 42.319 40.800 0.042 0.000 1.369 186 D HN 0.274 nan 8.370 nan 0.000 0.585 187 I N 3.704 124.234 120.570 -0.066 0.000 2.361 187 I HA -0.249 3.921 4.170 0.001 0.000 0.251 187 I C 1.081 177.071 176.117 -0.211 0.000 1.133 187 I CA 1.278 62.428 61.300 -0.250 0.000 1.413 187 I CB 0.128 37.760 38.000 -0.614 0.000 1.073 187 I HN 0.424 nan 8.210 nan 0.000 0.424 188 Y N -0.591 119.597 120.300 -0.186 0.000 2.220 188 Y HA -0.146 4.405 4.550 0.001 0.000 0.291 188 Y C 2.410 178.310 175.900 -0.000 0.000 1.129 188 Y CA 1.326 59.407 58.100 -0.032 0.000 1.161 188 Y CB -0.775 37.677 38.460 -0.012 0.000 0.997 188 Y HN -0.060 nan 8.280 nan 0.000 0.522 189 V N -0.112 119.881 119.914 0.132 0.000 2.295 189 V HA -0.348 3.773 4.120 0.001 0.000 0.246 189 V C 2.527 178.583 176.094 -0.062 0.000 1.049 189 V CA 1.817 64.145 62.300 0.046 0.000 1.024 189 V CB -1.368 30.494 31.823 0.065 0.000 0.648 189 V HN 0.459 nan 8.190 nan 0.000 0.447 190 A N -0.688 122.071 122.820 -0.101 0.000 1.908 190 A HA -0.207 4.113 4.320 0.001 0.000 0.218 190 A C 2.010 179.360 177.584 -0.390 0.000 1.181 190 A CA 1.994 53.860 52.037 -0.284 0.000 0.627 190 A CB -0.687 18.104 19.000 -0.349 0.000 0.818 190 A HN 0.498 nan 8.150 nan 0.000 0.445 191 F N -0.620 119.239 119.950 -0.152 0.000 2.416 191 F HA 0.069 4.597 4.527 0.001 0.000 0.296 191 F C 2.448 178.190 175.800 -0.096 0.000 1.099 191 F CA 0.941 58.853 58.000 -0.147 0.000 1.427 191 F CB -0.114 38.782 39.000 -0.174 0.000 1.079 191 F HN 0.083 nan 8.300 nan 0.000 0.536 192 R N -0.131 120.421 120.500 0.087 0.000 2.115 192 R HA -0.080 4.260 4.340 0.001 0.000 0.230 192 R C 2.392 178.725 176.300 0.055 0.000 1.111 192 R CA 1.060 57.214 56.100 0.090 0.000 0.976 192 R CB -0.554 29.795 30.300 0.082 0.000 0.870 192 R HN 0.247 nan 8.270 nan 0.000 0.445 193 A N 0.634 123.403 122.820 -0.085 0.000 1.898 193 A HA -0.093 4.227 4.320 0.001 0.000 0.216 193 A C 2.303 179.828 177.584 -0.099 0.000 1.181 193 A CA 1.153 53.100 52.037 -0.151 0.000 0.620 193 A CB -0.517 18.176 19.000 -0.512 0.000 0.819 193 A HN 0.090 nan 8.150 nan 0.000 0.442 194 V N -0.288 119.565 119.914 -0.103 0.000 2.231 194 V HA -0.356 3.764 4.120 0.001 0.000 0.250 194 V C 2.510 178.726 176.094 0.204 0.000 1.058 194 V CA 2.738 65.064 62.300 0.042 0.000 1.022 194 V CB -1.042 30.738 31.823 -0.070 0.000 0.640 194 V HN 0.820 nan 8.190 nan 0.000 0.445 195 H N 0.608 119.755 119.070 0.129 0.000 2.321 195 H HA -0.114 4.443 4.556 0.001 0.000 0.300 195 H C 2.236 177.662 175.328 0.164 0.000 1.087 195 H CA 2.078 58.255 56.048 0.216 0.000 1.319 195 H CB -0.152 29.729 29.762 0.198 0.000 1.379 195 H HN 0.361 nan 8.280 nan 0.000 0.501 196 N N 0.065 118.845 118.700 0.132 0.000 2.244 196 N HA -0.106 4.634 4.740 0.001 0.000 0.183 196 N C 2.098 177.673 175.510 0.108 0.000 1.016 196 N CA 0.841 53.948 53.050 0.095 0.000 0.866 196 N CB -0.247 38.333 38.487 0.155 0.000 0.980 196 N HN 0.364 nan 8.380 nan 0.000 0.430 197 L N 0.622 121.859 121.223 0.023 0.000 2.042 197 L HA -0.138 4.202 4.340 0.001 0.000 0.210 197 L C 2.254 179.085 176.870 -0.065 0.000 1.076 197 L CA 0.858 55.571 54.840 -0.212 0.000 0.749 197 L CB -0.398 41.428 42.059 -0.387 0.000 0.893 197 L HN 0.125 nan 8.230 nan 0.000 0.432 198 L N -0.732 120.526 121.223 0.060 0.000 2.012 198 L HA -0.241 4.100 4.340 0.001 0.000 0.210 198 L C 2.843 179.745 176.870 0.055 0.000 1.073 198 L CA 1.471 56.367 54.840 0.095 0.000 0.748 198 L CB -0.382 41.729 42.059 0.086 0.000 0.891 198 L HN 0.200 nan 8.230 nan 0.000 0.431 199 R N -0.571 119.906 120.500 -0.038 0.000 2.092 199 R HA -0.088 4.252 4.340 0.001 0.000 0.231 199 R C 2.366 178.691 176.300 0.040 0.000 1.119 199 R CA 1.158 57.237 56.100 -0.035 0.000 0.970 199 R CB -0.451 29.795 30.300 -0.090 0.000 0.864 199 R HN 0.353 nan 8.270 nan 0.000 0.440 200 A N 0.753 123.620 122.820 0.078 0.000 1.873 200 A HA -0.222 4.099 4.320 0.001 0.000 0.215 200 A C 1.968 179.676 177.584 0.207 0.000 1.186 200 A CA 1.733 53.864 52.037 0.158 0.000 0.616 200 A CB -0.793 18.295 19.000 0.148 0.000 0.823 200 A HN 0.492 nan 8.150 nan 0.000 0.442 201 H N 0.276 119.336 119.070 -0.017 0.000 2.289 201 H HA -0.120 4.437 4.556 0.001 0.000 0.294 201 H C 2.029 177.406 175.328 0.081 0.000 1.095 201 H CA 2.640 58.715 56.048 0.044 0.000 1.256 201 H CB -0.328 29.398 29.762 -0.060 0.000 1.359 201 H HN 0.371 nan 8.280 nan 0.000 0.487 202 A N 1.055 123.796 122.820 -0.132 0.000 1.898 202 A HA -0.121 4.199 4.320 0.001 0.000 0.216 202 A C 2.437 179.958 177.584 -0.105 0.000 1.181 202 A CA 1.344 53.269 52.037 -0.187 0.000 0.620 202 A CB -0.366 18.617 19.000 -0.029 0.000 0.819 202 A HN 0.393 nan 8.150 nan 0.000 0.442 203 R N -0.290 120.206 120.500 -0.006 0.000 2.096 203 R HA -0.098 4.242 4.340 0.001 0.000 0.235 203 R C 2.415 178.734 176.300 0.032 0.000 1.127 203 R CA 1.402 57.517 56.100 0.024 0.000 0.968 203 R CB -1.010 29.328 30.300 0.064 0.000 0.861 203 R HN 0.535 nan 8.270 nan 0.000 0.440 204 A N 0.699 123.564 122.820 0.075 0.000 1.902 204 A HA -0.104 4.216 4.320 0.001 0.000 0.217 204 A C 2.481 180.099 177.584 0.056 0.000 1.181 204 A CA 1.509 53.589 52.037 0.072 0.000 0.623 204 A CB -0.592 18.472 19.000 0.107 0.000 0.818 204 A HN 0.098 nan 8.150 nan 0.000 0.443 205 V N 0.354 120.191 119.914 -0.128 0.000 2.287 205 V HA -0.327 3.793 4.120 0.001 0.000 0.248 205 V C 2.530 178.594 176.094 -0.050 0.000 1.053 205 V CA 2.542 64.744 62.300 -0.162 0.000 1.027 205 V CB -0.761 30.877 31.823 -0.307 0.000 0.646 205 V HN 0.699 nan 8.190 nan 0.000 0.447 206 K N 0.014 120.384 120.400 -0.051 0.000 2.009 206 K HA -0.180 4.140 4.320 0.001 0.000 0.210 206 K C 2.061 178.648 176.600 -0.022 0.000 1.049 206 K CA 1.918 58.185 56.287 -0.033 0.000 0.929 206 K CB -0.316 32.166 32.500 -0.030 0.000 0.714 206 K HN 0.311 nan 8.250 nan 0.000 0.440 207 V N 1.137 121.061 119.914 0.017 0.000 2.332 207 V HA -0.252 3.868 4.120 0.001 0.000 0.248 207 V C 2.084 178.161 176.094 -0.028 0.000 1.055 207 V CA 1.982 64.306 62.300 0.040 0.000 1.038 207 V CB -0.669 31.220 31.823 0.110 0.000 0.651 207 V HN 0.340 nan 8.190 nan 0.000 0.450 208 F N 1.454 121.212 119.950 -0.319 0.000 2.095 208 F HA -0.198 4.330 4.527 0.001 0.000 0.298 208 F C 2.586 178.086 175.800 -0.500 0.000 1.104 208 F CA 1.711 59.198 58.000 -0.856 0.000 1.232 208 F CB -0.244 38.162 39.000 -0.990 0.000 0.987 208 F HN 0.002 nan 8.300 nan 0.000 0.475 209 R N 0.876 121.238 120.500 -0.231 0.000 2.127 209 R HA -0.160 4.180 4.340 0.001 0.000 0.238 209 R C 1.918 178.073 176.300 -0.241 0.000 1.134 209 R CA 1.712 57.679 56.100 -0.221 0.000 0.975 209 R CB -1.203 29.042 30.300 -0.093 0.000 0.865 209 R HN 0.517 nan 8.270 nan 0.000 0.447 210 E N -0.788 119.290 120.200 -0.204 0.000 2.371 210 E HA -0.002 4.348 4.350 0.001 0.000 0.194 210 E C 0.927 177.408 176.600 -0.197 0.000 1.012 210 E CA 1.066 57.370 56.400 -0.160 0.000 0.860 210 E CB 0.284 29.924 29.700 -0.100 0.000 0.811 210 E HN 0.282 nan 8.360 nan 0.000 0.502 211 T N -0.374 113.998 114.554 -0.303 0.000 3.058 211 T HA 0.099 4.450 4.350 0.001 0.000 0.247 211 T C 0.667 175.136 174.700 -0.385 0.000 0.987 211 T CA 0.043 61.977 62.100 -0.277 0.000 1.062 211 T CB 0.750 69.511 68.868 -0.178 0.000 1.048 211 T HN -0.143 nan 8.240 nan 0.000 0.468 212 V N 3.121 122.608 119.914 -0.711 0.000 2.260 212 V HA 0.326 4.446 4.120 0.001 0.000 0.263 212 V C 0.614 176.282 176.094 -0.710 0.000 1.036 212 V CA -0.638 61.213 62.300 -0.747 0.000 0.874 212 V CB 0.808 31.951 31.823 -1.133 0.000 1.116 212 V HN 0.306 nan 8.190 nan 0.000 0.454 213 K N 1.527 121.693 120.400 -0.390 0.000 2.442 213 K HA -0.071 4.250 4.320 0.001 0.000 0.198 213 K C 0.848 177.340 176.600 -0.179 0.000 1.042 213 K CA 1.187 57.312 56.287 -0.271 0.000 0.958 213 K CB 0.154 32.550 32.500 -0.172 0.000 0.766 213 K HN 0.785 nan 8.250 nan 0.000 0.474 214 D N -0.800 119.507 120.400 -0.155 0.000 2.538 214 D HA 0.086 4.727 4.640 0.001 0.000 0.231 214 D C 0.508 176.812 176.300 0.006 0.000 1.229 214 D CA -0.334 53.633 54.000 -0.055 0.000 0.828 214 D CB 0.283 41.070 40.800 -0.022 0.000 1.035 214 D HN 0.034 nan 8.370 nan 0.000 0.495 215 G N -0.388 108.413 108.800 0.002 0.000 2.820 215 G HA2 0.617 4.578 3.960 0.001 0.000 0.291 215 G HA3 0.617 4.578 3.960 0.001 0.000 0.291 215 G C -0.832 174.325 174.900 0.428 0.000 1.323 215 G CA -0.917 44.342 45.100 0.266 0.000 1.055 215 G HN 0.007 nan 8.290 nan 0.000 0.520 216 K N -0.568 120.100 120.400 0.446 0.000 2.371 216 K HA 0.599 4.919 4.320 0.001 0.000 0.251 216 K C -1.431 175.237 176.600 0.113 0.000 0.934 216 K CA -0.532 55.947 56.287 0.320 0.000 0.798 216 K CB 2.798 35.477 32.500 0.299 0.000 1.204 216 K HN 0.353 nan 8.250 nan 0.000 0.427 217 I N 1.188 121.662 120.570 -0.159 0.000 2.582 217 I HA 0.597 4.768 4.170 0.001 0.000 0.292 217 I C -0.494 175.241 176.117 -0.636 0.000 1.066 217 I CA -0.195 60.811 61.300 -0.490 0.000 1.053 217 I CB 1.853 39.213 38.000 -1.067 0.000 1.241 217 I HN 0.794 nan 8.210 nan 0.000 0.421 218 G N 6.302 114.511 108.800 -0.985 0.000 3.085 218 G HA2 0.686 4.646 3.960 0.001 0.000 0.264 218 G HA3 0.686 4.646 3.960 0.001 0.000 0.264 218 G C -1.798 172.764 174.900 -0.564 0.000 1.206 218 G CA -0.565 43.835 45.100 -1.166 0.000 0.809 218 G HN 0.688 nan 8.290 nan 0.000 0.592 219 I N -0.954 119.289 120.570 -0.544 0.000 2.828 219 I HA 0.568 4.738 4.170 0.001 0.000 0.295 219 I C -1.624 174.042 176.117 -0.753 0.000 1.459 219 I CA -0.803 60.178 61.300 -0.532 0.000 1.015 219 I CB 2.163 39.783 38.000 -0.634 0.000 1.345 219 I HN 0.393 nan 8.210 nan 0.000 0.449 220 V N 6.820 126.273 119.914 -0.769 0.000 2.459 220 V HA 0.561 4.681 4.120 0.001 0.000 0.295 220 V C -0.950 174.642 176.094 -0.836 0.000 1.029 220 V CA -0.287 61.627 62.300 -0.644 0.000 0.874 220 V CB 1.608 33.252 31.823 -0.298 0.000 0.985 220 V HN 0.459 nan 8.190 nan 0.000 0.438 221 F N 3.705 123.657 119.950 0.003 0.000 2.532 221 F HA 0.484 5.011 4.527 0.001 0.000 0.321 221 F C 0.525 176.376 175.800 0.085 0.000 1.089 221 F CA -1.286 56.732 58.000 0.030 0.000 0.926 221 F CB 1.272 40.346 39.000 0.123 0.000 1.168 221 F HN 0.557 nan 8.300 nan 0.000 0.459 222 N N 2.606 121.455 118.700 0.248 0.000 2.518 222 N HA 0.190 4.930 4.740 0.001 0.000 0.266 222 N C -1.189 174.413 175.510 0.154 0.000 1.196 222 N CA -0.162 52.989 53.050 0.169 0.000 0.947 222 N CB 0.876 39.419 38.487 0.093 0.000 1.098 222 N HN 0.669 nan 8.380 nan 0.000 0.450 223 N N -0.094 118.706 118.700 0.166 0.000 2.287 223 N HA 0.364 5.105 4.740 0.001 0.000 0.289 223 N C -0.844 174.734 175.510 0.114 0.000 1.066 223 N CA -0.689 52.482 53.050 0.202 0.000 0.841 223 N CB 2.338 41.078 38.487 0.422 0.000 1.599 223 N HN 0.732 nan 8.380 nan 0.000 0.476 224 G N 0.108 108.860 108.800 -0.080 0.000 2.432 224 G HA2 0.369 4.329 3.960 0.001 0.000 0.331 224 G HA3 0.369 4.329 3.960 0.001 0.000 0.331 224 G C -1.575 173.117 174.900 -0.346 0.000 1.170 224 G CA -0.238 44.624 45.100 -0.397 0.000 0.943 224 G HN 0.452 nan 8.290 nan 0.000 0.483 225 Y N 2.135 122.278 120.300 -0.262 0.000 2.518 225 Y HA 0.582 5.132 4.550 0.001 0.000 0.344 225 Y C -1.037 174.611 175.900 -0.421 0.000 0.982 225 Y CA -2.277 55.659 58.100 -0.274 0.000 1.234 225 Y CB -0.231 38.224 38.460 -0.009 0.000 1.114 225 Y HN 0.249 nan 8.280 nan 0.000 0.515 226 F N 3.743 123.551 119.950 -0.236 0.000 2.394 226 F HA 0.468 4.995 4.527 0.001 0.000 0.340 226 F C 0.280 175.775 175.800 -0.508 0.000 1.105 226 F CA -0.596 57.263 58.000 -0.235 0.000 1.124 226 F CB 1.025 40.006 39.000 -0.032 0.000 1.145 226 F HN 0.359 nan 8.300 nan 0.000 0.505 227 E N 3.692 123.783 120.200 -0.182 0.000 2.288 227 E HA 0.377 4.727 4.350 0.001 0.000 0.268 227 E C -2.651 173.930 176.600 -0.032 0.000 0.885 227 E CA -2.337 53.931 56.400 -0.220 0.000 0.767 227 E CB 2.434 31.942 29.700 -0.320 0.000 1.220 227 E HN 0.213 nan 8.360 nan 0.000 0.427 228 P HA 0.105 nan 4.420 nan 0.000 0.284 228 P C -0.329 176.988 177.300 0.030 0.000 1.253 228 P CA -0.006 63.108 63.100 0.024 0.000 0.800 228 P CB 1.597 33.310 31.700 0.023 0.000 0.961 229 A N 3.058 125.907 122.820 0.049 0.000 1.854 229 A HA -0.058 4.262 4.320 0.001 0.000 0.214 229 A C 1.744 179.351 177.584 0.039 0.000 1.192 229 A CA 2.083 54.150 52.037 0.049 0.000 0.611 229 A CB -1.215 17.821 19.000 0.061 0.000 0.832 229 A HN 0.696 nan 8.150 nan 0.000 0.442 230 S N -1.530 114.193 115.700 0.039 0.000 2.713 230 S HA 0.490 4.960 4.470 0.001 0.000 0.213 230 S C 0.284 174.898 174.600 0.024 0.000 1.176 230 S CA 0.292 58.510 58.200 0.030 0.000 1.256 230 S CB 0.568 63.786 63.200 0.030 0.000 0.951 230 S HN 0.575 nan 8.310 nan 0.000 0.506 238 A N 1.047 123.930 122.820 0.105 0.000 2.014 238 A HA 0.069 4.389 4.320 0.001 0.000 0.218 238 A C 1.802 179.446 177.584 0.100 0.000 1.163 238 A CA 1.440 53.545 52.037 0.114 0.000 0.652 238 A CB -0.152 18.905 19.000 0.095 0.000 0.808 238 A HN 0.121 nan 8.150 nan 0.000 0.449 239 V N -0.121 119.841 119.914 0.079 0.000 2.379 239 V HA -0.227 3.893 4.120 0.001 0.000 0.245 239 V C 2.602 178.772 176.094 0.126 0.000 1.044 239 V CA 2.122 64.463 62.300 0.068 0.000 1.036 239 V CB -0.721 31.143 31.823 0.069 0.000 0.664 239 V HN 0.541 nan 8.190 nan 0.000 0.453 240 R N -0.797 119.799 120.500 0.160 0.000 2.081 240 R HA -0.169 4.171 4.340 0.001 0.000 0.235 240 R C 2.193 178.622 176.300 0.215 0.000 1.131 240 R CA 1.956 58.181 56.100 0.208 0.000 0.960 240 R CB -0.536 29.869 30.300 0.176 0.000 0.856 240 R HN 0.534 nan 8.270 nan 0.000 0.436 241 F N 1.145 121.117 119.950 0.035 0.000 2.075 241 F HA -0.218 4.310 4.527 0.001 0.000 0.297 241 F C 2.094 177.887 175.800 -0.012 0.000 1.113 241 F CA 1.505 59.503 58.000 -0.003 0.000 1.218 241 F CB -0.106 38.849 39.000 -0.074 0.000 0.984 241 F HN -0.124 nan 8.300 nan 0.000 0.472 242 M N -0.175 119.275 119.600 -0.251 0.000 2.108 242 M HA -0.233 4.248 4.480 0.001 0.000 0.261 242 M C 2.320 178.409 176.300 -0.351 0.000 1.066 242 M CA 2.018 56.955 55.300 -0.605 0.000 1.107 242 M CB -1.915 29.980 32.600 -1.174 0.000 1.356 242 M HN 0.384 nan 8.290 nan 0.000 0.406 243 H N 0.556 119.575 119.070 -0.086 0.000 2.319 243 H HA -0.133 4.424 4.556 0.001 0.000 0.299 243 H C 1.946 177.237 175.328 -0.062 0.000 1.092 243 H CA 2.221 58.344 56.048 0.124 0.000 1.302 243 H CB -0.103 29.825 29.762 0.275 0.000 1.373 243 H HN 0.466 nan 8.280 nan 0.000 0.497 244 Q N -1.676 118.012 119.800 -0.187 0.000 2.230 244 Q HA -0.077 4.263 4.340 0.001 0.000 0.202 244 Q C 1.509 177.390 176.000 -0.197 0.000 0.963 244 Q CA 1.111 56.783 55.803 -0.218 0.000 0.866 244 Q CB 0.052 28.776 28.738 -0.023 0.000 0.931 244 Q HN 0.459 nan 8.270 nan 0.000 0.452 245 F N 0.651 120.313 119.950 -0.480 0.000 2.315 245 F HA 0.108 4.636 4.527 0.000 0.000 0.284 245 F C 1.798 177.373 175.800 -0.374 0.000 1.049 245 F CA 0.703 58.444 58.000 -0.431 0.000 1.323 245 F CB -0.188 38.305 39.000 -0.846 0.000 1.113 245 F HN -0.072 nan 8.300 nan 0.000 0.544 246 N N 0.491 118.724 118.700 -0.779 0.000 2.416 246 N HA -0.063 4.678 4.740 0.001 0.000 0.177 246 N C -0.222 174.889 175.510 -0.665 0.000 1.036 246 N CA 0.289 52.625 53.050 -1.189 0.000 0.901 246 N CB -0.125 37.872 38.487 -0.817 0.000 0.976 246 N HN 0.239 nan 8.380 nan 0.000 0.444 247 N N -0.013 118.460 118.700 -0.378 0.000 2.491 247 N HA 0.044 4.785 4.740 0.001 0.000 0.279 247 N C 1.003 176.270 175.510 -0.405 0.000 1.236 247 N CA -0.445 52.429 53.050 -0.292 0.000 0.982 247 N CB -0.176 38.183 38.487 -0.213 0.000 1.194 247 N HN 0.098 nan 8.380 nan 0.000 0.582 248 Y N -0.899 119.301 120.300 -0.167 0.000 2.271 248 Y HA -0.040 4.511 4.550 0.001 0.000 0.284 248 Y C -1.248 174.363 175.900 -0.482 0.000 1.189 248 Y CA 0.928 58.719 58.100 -0.515 0.000 1.229 248 Y CB -2.252 36.010 38.460 -0.331 0.000 0.973 248 Y HN 0.447 nan 8.280 nan 0.000 0.537 249 P HA -0.205 nan 4.420 nan 0.000 0.218 249 P C 1.896 179.076 177.300 -0.199 0.000 1.148 249 P CA 1.441 64.411 63.100 -0.217 0.000 0.822 249 P CB -0.115 31.449 31.700 -0.227 0.000 0.784 250 L N -1.656 119.407 121.223 -0.265 0.000 2.089 250 L HA -0.188 4.153 4.340 0.001 0.000 0.213 250 L C 1.811 178.380 176.870 -0.502 0.000 1.079 250 L CA 2.095 56.744 54.840 -0.318 0.000 0.758 250 L CB -1.098 40.690 42.059 -0.452 0.000 0.891 250 L HN -0.092 nan 8.230 nan 0.000 0.433 251 F N -2.498 117.326 119.950 -0.209 0.000 2.559 251 F HA 0.136 4.664 4.527 0.001 0.000 0.286 251 F C 2.056 177.684 175.800 -0.287 0.000 1.108 251 F CA 0.155 58.027 58.000 -0.213 0.000 1.436 251 F CB -0.278 38.616 39.000 -0.176 0.000 1.130 251 F HN -0.142 nan 8.300 nan 0.000 0.584 252 L N -0.194 120.859 121.223 -0.283 0.000 2.240 252 L HA -0.098 4.242 4.340 0.001 0.000 0.211 252 L C 1.922 178.528 176.870 -0.439 0.000 1.106 252 L CA 0.904 55.508 54.840 -0.394 0.000 0.793 252 L CB -0.531 41.151 42.059 -0.628 0.000 0.927 252 L HN 0.178 nan 8.230 nan 0.000 0.446 253 N N 0.067 118.598 118.700 -0.283 0.000 2.084 253 N HA -0.143 4.598 4.740 0.001 0.000 0.190 253 N C -0.959 174.544 175.510 -0.012 0.000 1.030 253 N CA 1.526 54.600 53.050 0.040 0.000 0.849 253 N CB -0.523 38.062 38.487 0.163 0.000 1.012 253 N HN 0.066 nan 8.380 nan 0.000 0.423 254 P HA -0.109 nan 4.420 nan 0.000 0.215 254 P C 1.129 178.368 177.300 -0.102 0.000 1.157 254 P CA 1.142 64.133 63.100 -0.182 0.000 0.868 254 P CB 0.066 31.565 31.700 -0.334 0.000 0.788 255 I N -2.966 117.527 120.570 -0.128 0.000 2.226 255 I HA -0.261 3.909 4.170 0.001 0.000 0.245 255 I C 2.023 177.992 176.117 -0.247 0.000 1.100 255 I CA 1.673 62.852 61.300 -0.202 0.000 1.374 255 I CB -0.400 37.431 38.000 -0.281 0.000 1.057 255 I HN -0.048 nan 8.210 nan 0.000 0.413 256 Y N -0.283 120.010 120.300 -0.012 0.000 2.441 256 Y HA 0.131 4.682 4.550 0.001 0.000 0.288 256 Y C 2.240 178.198 175.900 0.097 0.000 1.118 256 Y CA 0.588 58.729 58.100 0.068 0.000 1.215 256 Y CB 0.120 38.675 38.460 0.157 0.000 1.118 256 Y HN -0.091 nan 8.280 nan 0.000 0.547 257 R N -1.113 119.531 120.500 0.239 0.000 2.404 257 R HA 0.280 4.620 4.340 0.001 0.000 0.237 257 R C 1.025 177.383 176.300 0.097 0.000 0.907 257 R CA 0.614 56.822 56.100 0.180 0.000 1.063 257 R CB 0.760 31.191 30.300 0.219 0.000 1.134 257 R HN 0.313 nan 8.270 nan 0.000 0.529 258 G N 1.817 110.647 108.800 0.051 0.000 2.136 258 G HA2 -0.251 3.709 3.960 0.001 0.000 0.242 258 G HA3 -0.251 3.709 3.960 0.001 0.000 0.242 258 G C -0.425 174.485 174.900 0.016 0.000 0.989 258 G CA 0.545 45.656 45.100 0.018 0.000 0.682 258 G HN 0.388 nan 8.290 nan 0.000 0.522 259 D N -1.963 118.442 120.400 0.008 0.000 2.639 259 D HA 0.506 5.146 4.640 0.001 0.000 0.271 259 D C -0.317 175.953 176.300 -0.051 0.000 1.254 259 D CA -0.705 53.317 54.000 0.038 0.000 0.810 259 D CB 0.525 41.405 40.800 0.133 0.000 1.351 259 D HN -0.045 nan 8.370 nan 0.000 0.427 260 Y N 0.506 120.881 120.300 0.125 0.000 2.457 260 Y HA 0.283 4.834 4.550 0.001 0.000 0.341 260 Y C -1.341 174.590 175.900 0.050 0.000 1.240 260 Y CA -0.935 57.182 58.100 0.030 0.000 1.437 260 Y CB -0.029 38.393 38.460 -0.062 0.000 1.328 260 Y HN 0.099 nan 8.280 nan 0.000 0.588 261 P HA -0.046 nan 4.420 nan 0.000 0.269 261 P C 0.618 178.006 177.300 0.146 0.000 1.215 261 P CA -0.010 63.186 63.100 0.159 0.000 0.780 261 P CB 0.684 32.457 31.700 0.122 0.000 0.898 262 E N 1.847 122.123 120.200 0.127 0.000 2.065 262 E HA -0.202 4.149 4.350 0.001 0.000 0.201 262 E C 1.437 178.101 176.600 0.108 0.000 1.016 262 E CA 1.484 57.947 56.400 0.105 0.000 0.818 262 E CB -0.288 29.468 29.700 0.093 0.000 0.749 262 E HN 0.367 nan 8.360 nan 0.000 0.453 263 L N 0.497 121.808 121.223 0.147 0.000 2.201 263 L HA -0.115 4.225 4.340 0.001 0.000 0.212 263 L C 2.568 179.606 176.870 0.279 0.000 1.105 263 L CA 0.321 55.290 54.840 0.215 0.000 0.775 263 L CB -0.254 41.992 42.059 0.312 0.000 0.913 263 L HN 0.117 nan 8.230 nan 0.000 0.440 264 V N 0.428 120.462 119.914 0.199 0.000 2.295 264 V HA -0.275 3.845 4.120 0.001 0.000 0.246 264 V C 2.427 178.516 176.094 -0.007 0.000 1.049 264 V CA 1.605 63.992 62.300 0.146 0.000 1.024 264 V CB -0.314 31.583 31.823 0.123 0.000 0.648 264 V HN 0.352 nan 8.190 nan 0.000 0.447 265 L N -0.431 120.781 121.223 -0.018 0.000 2.131 265 L HA -0.171 4.170 4.340 0.001 0.000 0.210 265 L C 2.582 179.372 176.870 -0.132 0.000 1.092 265 L CA 1.464 56.239 54.840 -0.108 0.000 0.759 265 L CB -0.632 41.421 42.059 -0.010 0.000 0.903 265 L HN 0.414 nan 8.230 nan 0.000 0.435 266 E N -0.217 119.956 120.200 -0.045 0.000 2.031 266 E HA -0.249 4.101 4.350 0.001 0.000 0.193 266 E C 2.077 178.614 176.600 -0.105 0.000 0.994 266 E CA 1.469 57.832 56.400 -0.061 0.000 0.800 266 E CB -0.245 29.450 29.700 -0.009 0.000 0.752 266 E HN 0.368 nan 8.360 nan 0.000 0.447 267 F N 1.023 120.838 119.950 -0.225 0.000 2.134 267 F HA -0.096 4.432 4.527 0.001 0.000 0.299 267 F C 1.853 177.375 175.800 -0.464 0.000 1.097 267 F CA 1.719 59.542 58.000 -0.295 0.000 1.264 267 F CB -0.018 38.855 39.000 -0.211 0.000 1.001 267 F HN -0.079 nan 8.300 nan 0.000 0.479 268 A N -0.924 121.453 122.820 -0.738 0.000 2.545 268 A HA 0.279 4.600 4.320 0.001 0.000 0.263 268 A C 1.716 178.649 177.584 -1.085 0.000 1.202 268 A CA 0.140 51.425 52.037 -1.254 0.000 0.959 268 A CB -0.403 17.611 19.000 -1.644 0.000 1.124 268 A HN 0.252 nan 8.150 nan 0.000 0.543 269 R N 1.400 121.465 120.500 -0.726 0.000 2.119 269 R HA -0.215 4.125 4.340 0.001 0.000 0.246 269 R C 1.610 177.592 176.300 -0.530 0.000 1.146 269 R CA 2.413 58.200 56.100 -0.522 0.000 0.962 269 R CB -0.371 29.746 30.300 -0.306 0.000 0.863 269 R HN 0.429 nan 8.270 nan 0.000 0.442 270 E N -0.931 118.849 120.200 -0.700 0.000 2.268 270 E HA -0.142 4.208 4.350 0.001 0.000 0.195 270 E C 1.038 177.321 176.600 -0.529 0.000 0.995 270 E CA 1.134 57.195 56.400 -0.564 0.000 0.836 270 E CB -0.204 29.144 29.700 -0.587 0.000 0.763 270 E HN 0.553 nan 8.360 nan 0.000 0.491 271 Y N -0.424 119.483 120.300 -0.654 0.000 2.517 271 Y HA 0.268 4.819 4.550 0.001 0.000 0.281 271 Y C 0.733 176.421 175.900 -0.352 0.000 1.125 271 Y CA -0.201 57.468 58.100 -0.720 0.000 1.283 271 Y CB -0.255 37.698 38.460 -0.845 0.000 1.042 271 Y HN -0.063 nan 8.280 nan 0.000 0.547 272 L N 2.581 123.630 121.223 -0.290 0.000 2.418 272 L HA 0.251 4.591 4.340 0.001 0.000 0.265 272 L C -1.868 174.943 176.870 -0.098 0.000 1.143 272 L CA -2.089 52.602 54.840 -0.249 0.000 0.809 272 L CB 0.364 42.091 42.059 -0.553 0.000 1.124 272 L HN -0.110 nan 8.230 nan 0.000 0.456 273 P HA -0.065 nan 4.420 nan 0.000 0.269 273 P C 0.144 177.486 177.300 0.070 0.000 1.217 273 P CA -0.038 63.072 63.100 0.017 0.000 0.783 273 P CB 0.623 32.328 31.700 0.008 0.000 0.898 274 E N 1.421 121.654 120.200 0.055 0.000 2.072 274 E HA -0.176 4.174 4.350 0.001 0.000 0.191 274 E C 0.214 176.834 176.600 0.033 0.000 0.985 274 E CA 1.113 57.541 56.400 0.047 0.000 0.801 274 E CB -0.124 29.589 29.700 0.022 0.000 0.750 274 E HN 0.483 nan 8.360 nan 0.000 0.452 275 N N 0.136 118.843 118.700 0.011 0.000 2.546 275 N HA 0.054 4.794 4.740 0.001 0.000 0.286 275 N C 0.283 175.746 175.510 -0.078 0.000 1.259 275 N CA -0.229 52.788 53.050 -0.054 0.000 0.939 275 N CB 0.329 38.797 38.487 -0.031 0.000 1.243 275 N HN 0.284 nan 8.380 nan 0.000 0.511 276 Y N 0.168 120.418 120.300 -0.083 0.000 2.274 276 Y HA -0.032 4.518 4.550 0.001 0.000 0.290 276 Y C 1.721 177.652 175.900 0.052 0.000 1.145 276 Y CA 0.959 58.956 58.100 -0.171 0.000 1.203 276 Y CB -0.137 38.075 38.460 -0.412 0.000 0.984 276 Y HN -0.110 nan 8.280 nan 0.000 0.533 277 K N 0.487 120.383 120.400 -0.840 0.000 2.280 277 K HA -0.159 4.162 4.320 0.001 0.000 0.202 277 K C 1.296 177.803 176.600 -0.154 0.000 1.047 277 K CA 1.408 57.393 56.287 -0.502 0.000 0.942 277 K CB -0.202 31.960 32.500 -0.564 0.000 0.739 277 K HN 0.362 nan 8.250 nan 0.000 0.457 278 D N 1.023 121.364 120.400 -0.099 0.000 2.228 278 D HA -0.162 4.479 4.640 0.001 0.000 0.203 278 D C 0.932 177.254 176.300 0.037 0.000 0.988 278 D CA 1.153 55.142 54.000 -0.018 0.000 0.864 278 D CB -0.063 40.736 40.800 -0.001 0.000 0.928 278 D HN 0.244 nan 8.370 nan 0.000 0.469 279 D N -0.744 119.723 120.400 0.113 0.000 2.350 279 D HA 0.022 4.662 4.640 0.001 0.000 0.213 279 D C 1.896 178.239 176.300 0.073 0.000 1.031 279 D CA -0.025 54.045 54.000 0.116 0.000 0.861 279 D CB 0.197 41.113 40.800 0.193 0.000 0.926 279 D HN 0.148 nan 8.370 nan 0.000 0.520 280 M N 0.958 120.601 119.600 0.072 0.000 2.229 280 M HA -0.102 4.378 4.480 0.001 0.000 0.264 280 M C 2.325 178.630 176.300 0.008 0.000 1.063 280 M CA 0.898 56.220 55.300 0.038 0.000 1.114 280 M CB -0.751 31.867 32.600 0.030 0.000 1.387 280 M HN 0.004 nan 8.290 nan 0.000 0.420 281 S N 0.099 115.802 115.700 0.006 0.000 2.387 281 S HA -0.133 4.338 4.470 0.001 0.000 0.226 281 S C 1.619 176.217 174.600 -0.004 0.000 1.026 281 S CA 1.206 59.406 58.200 -0.000 0.000 0.972 281 S CB -0.303 62.896 63.200 -0.001 0.000 0.814 281 S HN 0.456 nan 8.310 nan 0.000 0.477 282 E N 1.512 121.710 120.200 -0.003 0.000 2.107 282 E HA 0.139 4.490 4.350 0.001 0.000 0.191 282 E C 1.901 178.493 176.600 -0.014 0.000 0.982 282 E CA 1.025 57.420 56.400 -0.009 0.000 0.809 282 E CB -0.434 29.263 29.700 -0.006 0.000 0.756 282 E HN 0.573 nan 8.360 nan 0.000 0.459 283 I N 1.198 121.761 120.570 -0.011 0.000 2.567 283 I HA -0.267 3.903 4.170 0.001 0.000 0.257 283 I C 1.665 177.774 176.117 -0.013 0.000 1.184 283 I CA 1.113 62.409 61.300 -0.007 0.000 1.451 283 I CB -0.228 37.757 38.000 -0.025 0.000 1.089 283 I HN 0.159 nan 8.210 nan 0.000 0.441 284 Q N 0.586 120.368 119.800 -0.029 0.000 2.466 284 Q HA -0.062 4.278 4.340 0.001 0.000 0.210 284 Q C 0.329 176.294 176.000 -0.058 0.000 0.961 284 Q CA -0.078 55.695 55.803 -0.051 0.000 0.953 284 Q CB -0.142 28.579 28.738 -0.028 0.000 1.011 284 Q HN 0.249 nan 8.270 nan 0.000 0.516 285 E N 2.848 123.020 120.200 -0.047 0.000 3.131 285 E HA -0.158 4.193 4.350 0.001 0.000 0.258 285 E C -0.391 176.165 176.600 -0.073 0.000 0.901 285 E CA 0.567 56.931 56.400 -0.059 0.000 0.964 285 E CB 0.216 29.867 29.700 -0.082 0.000 0.903 285 E HN -0.017 nan 8.360 nan 0.000 0.537 286 K N 4.924 125.291 120.400 -0.055 0.000 2.451 286 K HA 0.088 4.408 4.320 0.001 0.000 0.280 286 K C 0.212 176.782 176.600 -0.051 0.000 1.020 286 K CA -0.123 56.135 56.287 -0.049 0.000 1.008 286 K CB 0.112 32.613 32.500 0.003 0.000 0.917 286 K HN 0.612 nan 8.250 nan 0.000 0.478 287 I N 0.372 120.906 120.570 -0.060 0.000 2.750 287 I HA 0.292 4.462 4.170 0.001 0.000 0.308 287 I C 0.010 176.136 176.117 0.016 0.000 1.016 287 I CA -0.830 60.435 61.300 -0.057 0.000 1.098 287 I CB 1.807 39.761 38.000 -0.076 0.000 1.279 287 I HN 0.507 nan 8.210 nan 0.000 0.454 288 D N 2.599 122.999 120.400 0.000 0.000 2.301 288 D HA 0.162 4.802 4.640 0.001 0.000 0.206 288 D C -0.094 176.398 176.300 0.320 0.000 0.979 288 D CA 1.347 55.444 54.000 0.162 0.000 0.874 288 D CB 0.404 41.341 40.800 0.229 0.000 0.968 288 D HN 0.559 nan 8.370 nan 0.000 0.510 289 F N -1.464 118.576 119.950 0.151 0.000 2.686 289 F HA 0.578 5.106 4.527 0.001 0.000 0.311 289 F C -1.409 174.499 175.800 0.180 0.000 1.128 289 F CA -1.409 56.715 58.000 0.206 0.000 0.946 289 F CB 1.161 40.360 39.000 0.331 0.000 1.336 289 F HN -0.412 nan 8.300 nan 0.000 0.457 290 V N 1.488 121.641 119.914 0.398 0.000 2.417 290 V HA 0.758 4.879 4.120 0.001 0.000 0.291 290 V C 0.204 176.532 176.094 0.391 0.000 1.024 290 V CA -0.478 61.986 62.300 0.273 0.000 0.861 290 V CB 1.424 33.407 31.823 0.266 0.000 0.985 290 V HN 1.141 nan 8.190 nan 0.000 0.436 291 G N 4.956 113.896 108.800 0.234 0.000 2.322 291 G HA2 0.662 4.623 3.960 0.001 0.000 0.309 291 G HA3 0.662 4.623 3.960 0.001 0.000 0.309 291 G C -0.930 174.061 174.900 0.152 0.000 1.121 291 G CA -0.461 44.775 45.100 0.227 0.000 0.886 291 G HN 0.588 nan 8.290 nan 0.000 0.447 292 L N 2.641 123.993 121.223 0.216 0.000 2.333 292 L HA 0.379 4.719 4.340 0.001 0.000 0.280 292 L C -0.608 176.390 176.870 0.214 0.000 1.004 292 L CA -1.212 53.780 54.840 0.254 0.000 0.820 292 L CB 1.789 44.017 42.059 0.282 0.000 1.247 292 L HN 0.361 nan 8.230 nan 0.000 0.416 293 N N 2.172 120.995 118.700 0.205 0.000 2.498 293 N HA 0.436 5.177 4.740 0.001 0.000 0.287 293 N C -1.285 174.380 175.510 0.257 0.000 1.097 293 N CA -0.226 52.929 53.050 0.174 0.000 0.973 293 N CB 1.586 40.176 38.487 0.170 0.000 1.153 293 N HN 0.435 nan 8.380 nan 0.000 0.472 294 Y N 1.043 121.337 120.300 -0.009 0.000 2.441 294 Y HA 0.320 4.870 4.550 0.001 0.000 0.334 294 Y C -1.052 174.752 175.900 -0.160 0.000 1.061 294 Y CA -0.549 57.576 58.100 0.042 0.000 1.032 294 Y CB 0.792 39.336 38.460 0.139 0.000 1.266 294 Y HN 0.575 nan 8.280 nan 0.000 0.441 295 Y N 1.771 121.621 120.300 -0.751 0.000 2.640 295 Y HA 0.408 4.959 4.550 0.001 0.000 0.274 295 Y C 0.676 176.317 175.900 -0.432 0.000 1.164 295 Y CA 0.425 58.322 58.100 -0.338 0.000 1.189 295 Y CB 1.147 39.508 38.460 -0.166 0.000 1.333 295 Y HN 0.477 nan 8.280 nan 0.000 0.494 296 S N -0.736 114.527 115.700 -0.729 0.000 2.570 296 S HA 0.732 5.202 4.470 0.001 0.000 0.270 296 S C -0.700 173.702 174.600 -0.330 0.000 1.149 296 S CA -0.295 57.684 58.200 -0.369 0.000 0.837 296 S CB 1.342 64.271 63.200 -0.451 0.000 1.124 296 S HN 0.330 nan 8.310 nan 0.000 0.465 297 G N 1.546 110.204 108.800 -0.238 0.000 2.454 297 G HA2 0.704 4.665 3.960 0.001 0.000 0.329 297 G HA3 0.704 4.665 3.960 0.001 0.000 0.329 297 G C -1.552 172.996 174.900 -0.587 0.000 1.177 297 G CA -0.408 44.564 45.100 -0.215 0.000 0.951 297 G HN 0.719 nan 8.290 nan 0.000 0.485 298 H N 0.230 119.217 119.070 -0.138 0.000 2.771 298 H HA 0.321 4.877 4.556 0.001 0.000 0.361 298 H C -1.228 174.172 175.328 0.121 0.000 1.108 298 H CA -0.593 55.453 56.048 -0.004 0.000 1.201 298 H CB 2.654 32.441 29.762 0.042 0.000 1.681 298 H HN 0.361 nan 8.280 nan 0.000 0.534 299 L N 3.002 124.372 121.223 0.245 0.000 2.292 299 L HA 0.364 4.704 4.340 0.001 0.000 0.284 299 L C -0.794 176.259 176.870 0.306 0.000 1.065 299 L CA -0.349 54.609 54.840 0.197 0.000 0.806 299 L CB 0.986 43.117 42.059 0.119 0.000 1.175 299 L HN 0.351 nan 8.230 nan 0.000 0.431 300 V N 4.066 124.113 119.914 0.220 0.000 2.656 300 V HA 0.865 4.986 4.120 0.001 0.000 0.307 300 V C -0.011 176.133 176.094 0.083 0.000 1.051 300 V CA -0.549 61.852 62.300 0.167 0.000 0.893 300 V CB 1.467 33.368 31.823 0.130 0.000 0.999 300 V HN 0.814 nan 8.190 nan 0.000 0.426 301 K N 2.824 123.248 120.400 0.040 0.000 2.385 301 K HA 0.800 5.120 4.320 0.001 0.000 0.248 301 K C -0.910 175.708 176.600 0.031 0.000 0.955 301 K CA -0.731 55.587 56.287 0.050 0.000 0.816 301 K CB 1.672 34.201 32.500 0.048 0.000 1.250 301 K HN 0.642 nan 8.250 nan 0.000 0.434 302 F N 2.077 121.995 119.950 -0.054 0.000 2.506 302 F HA 0.428 4.956 4.527 0.001 0.000 0.351 302 F C 0.200 175.958 175.800 -0.071 0.000 1.136 302 F CA 0.812 58.765 58.000 -0.079 0.000 1.298 302 F CB 0.954 39.912 39.000 -0.070 0.000 1.145 302 F HN 0.655 nan 8.300 nan 0.000 0.593 303 D N 6.640 126.446 120.400 -0.990 0.000 2.484 303 D HA 0.281 4.922 4.640 0.001 0.000 0.206 303 D C -2.927 172.899 176.300 -0.790 0.000 1.322 303 D CA -1.381 52.254 54.000 -0.610 0.000 0.913 303 D CB 1.501 42.106 40.800 -0.325 0.000 1.559 303 D HN 0.127 nan 8.370 nan 0.000 0.565 309 K N -1.532 118.635 120.400 -0.389 0.000 3.230 309 K HA -0.145 4.175 4.320 0.001 0.000 0.285 309 K C -0.163 176.080 176.600 -0.596 0.000 1.196 309 K CA 1.167 57.119 56.287 -0.558 0.000 0.838 309 K CB -2.907 29.287 32.500 -0.510 0.000 1.262 309 K HN 1.487 nan 8.250 nan 0.000 0.492 310 V N 0.059 119.717 119.914 -0.427 0.000 2.841 310 V HA 0.811 4.931 4.120 0.001 0.000 0.310 310 V C -0.088 175.784 176.094 -0.370 0.000 1.090 310 V CA -0.133 61.955 62.300 -0.353 0.000 0.930 310 V CB 2.426 34.091 31.823 -0.264 0.000 1.014 310 V HN 0.543 nan 8.190 nan 0.000 0.425 311 S N 3.240 118.736 115.700 -0.340 0.000 2.595 311 S HA 0.801 5.271 4.470 0.001 0.000 0.281 311 S C -1.067 173.360 174.600 -0.287 0.000 1.117 311 S CA -0.690 57.309 58.200 -0.335 0.000 0.873 311 S CB 1.656 64.754 63.200 -0.170 0.000 1.108 311 S HN 0.330 nan 8.310 nan 0.000 0.477 312 F N 0.993 120.961 119.950 0.030 0.000 2.384 312 F HA 0.547 5.075 4.527 0.000 0.000 0.338 312 F C 0.085 175.930 175.800 0.076 0.000 1.103 312 F CA -0.864 57.184 58.000 0.080 0.000 1.157 312 F CB 1.437 40.513 39.000 0.127 0.000 1.167 312 F HN 0.317 nan 8.300 nan 0.000 0.529 313 V N 2.744 122.833 119.914 0.291 0.000 2.370 313 V HA 0.150 4.271 4.120 0.001 0.000 0.283 313 V C 0.062 176.260 176.094 0.174 0.000 1.023 313 V CA -0.977 61.431 62.300 0.180 0.000 0.857 313 V CB 1.291 33.189 31.823 0.125 0.000 0.985 313 V HN 0.716 nan 8.190 nan 0.000 0.443 314 E N 4.607 124.892 120.200 0.142 0.000 2.384 314 E HA 0.254 4.605 4.350 0.001 0.000 0.266 314 E C -0.183 176.470 176.600 0.089 0.000 1.012 314 E CA -0.177 56.292 56.400 0.115 0.000 0.901 314 E CB 0.739 30.500 29.700 0.101 0.000 0.967 314 E HN 0.535 nan 8.360 nan 0.000 0.435 315 R N 2.604 123.149 120.500 0.076 0.000 2.856 315 R HA 0.168 4.508 4.340 0.001 0.000 0.258 315 R C 0.475 176.811 176.300 0.060 0.000 1.066 315 R CA -0.924 55.213 56.100 0.062 0.000 1.045 315 R CB 0.887 31.219 30.300 0.054 0.000 1.178 315 R HN 0.600 nan 8.270 nan 0.000 0.499 316 D N 0.481 120.914 120.400 0.054 0.000 1.852 316 D HA -0.020 4.621 4.640 0.001 0.000 0.277 316 D C 0.031 176.368 176.300 0.062 0.000 1.056 316 D CA 1.023 55.055 54.000 0.054 0.000 0.962 316 D CB 0.095 40.923 40.800 0.047 0.000 1.390 316 D HN 0.054 nan 8.370 nan 0.000 0.518 317 L N -0.463 120.798 121.223 0.062 0.000 0.917 317 L HA -0.174 4.166 4.340 0.001 0.000 0.366 317 L C -2.160 174.766 176.870 0.092 0.000 1.004 317 L CA -0.311 54.574 54.840 0.075 0.000 1.219 317 L CB -1.826 40.279 42.059 0.075 0.000 0.252 317 L HN 0.269 nan 8.230 nan 0.000 0.192 318 P HA 0.105 nan 4.420 nan 0.000 0.263 318 P C -0.417 176.985 177.300 0.170 0.000 1.175 318 P CA 0.358 63.541 63.100 0.139 0.000 0.761 318 P CB 0.468 32.263 31.700 0.159 0.000 0.794 319 K N 0.703 121.203 120.400 0.168 0.000 2.295 319 K HA 0.512 4.832 4.320 0.001 0.000 0.239 319 K C 0.664 177.365 176.600 0.167 0.000 0.991 319 K CA -0.741 55.642 56.287 0.160 0.000 0.845 319 K CB 1.514 34.078 32.500 0.107 0.000 1.197 319 K HN 0.448 nan 8.250 nan 0.000 0.441 320 T N -2.379 112.202 114.554 0.044 0.000 2.849 320 T HA 0.308 4.658 4.350 0.001 0.000 0.276 320 T C 1.288 175.837 174.700 -0.251 0.000 0.971 320 T CA -0.258 61.697 62.100 -0.242 0.000 0.949 320 T CB 1.198 69.718 68.868 -0.580 0.000 1.093 320 T HN 0.548 nan 8.240 nan 0.000 0.545 321 A N 0.382 122.975 122.820 -0.379 0.000 2.076 321 A HA -0.005 4.315 4.320 0.001 0.000 0.220 321 A C 2.241 179.611 177.584 -0.357 0.000 1.160 321 A CA 1.150 53.020 52.037 -0.279 0.000 0.653 321 A CB -0.944 17.897 19.000 -0.265 0.000 0.801 321 A HN 0.762 nan 8.150 nan 0.000 0.455 322 M N -1.535 117.710 119.600 -0.591 0.000 2.557 322 M HA 0.066 4.546 4.480 0.001 0.000 0.259 322 M C 1.581 177.594 176.300 -0.479 0.000 1.086 322 M CA 0.969 55.804 55.300 -0.775 0.000 1.096 322 M CB -1.348 30.141 32.600 -1.851 0.000 1.424 322 M HN 0.818 nan 8.290 nan 0.000 0.488 323 G N -0.216 108.433 108.800 -0.250 0.000 2.147 323 G HA2 -0.197 3.764 3.960 0.001 0.000 0.244 323 G HA3 -0.197 3.764 3.960 0.001 0.000 0.244 323 G C -0.639 174.350 174.900 0.149 0.000 1.005 323 G CA -0.250 44.835 45.100 -0.025 0.000 0.713 323 G HN 0.418 nan 8.290 nan 0.000 0.515 324 W N 1.526 122.813 121.300 -0.023 0.000 2.335 324 W HA 0.568 5.229 4.660 0.001 0.000 0.306 324 W C 0.613 177.123 176.519 -0.015 0.000 1.216 324 W CA -1.765 55.557 57.345 -0.038 0.000 1.237 324 W CB 0.177 29.629 29.460 -0.013 0.000 1.243 324 W HN 0.253 nan 8.180 nan 0.000 0.493 325 E N 2.703 122.988 120.200 0.141 0.000 2.480 325 E HA 0.020 4.370 4.350 0.001 0.000 0.258 325 E C 0.111 176.822 176.600 0.186 0.000 0.984 325 E CA 0.168 56.633 56.400 0.110 0.000 0.930 325 E CB 0.639 30.344 29.700 0.008 0.000 0.936 325 E HN 0.239 nan 8.360 nan 0.000 0.466 326 I N 3.976 124.704 120.570 0.262 0.000 2.421 326 I HA -0.004 4.166 4.170 0.001 0.000 0.291 326 I C -0.338 175.922 176.117 0.238 0.000 1.089 326 I CA -0.065 61.447 61.300 0.353 0.000 1.354 326 I CB 0.267 38.507 38.000 0.399 0.000 1.413 326 I HN 0.239 nan 8.210 nan 0.000 0.513 327 V N 8.630 128.713 119.914 0.282 0.000 2.467 327 V HA 0.166 4.286 4.120 0.001 0.000 0.260 327 V C -1.762 174.447 176.094 0.193 0.000 0.963 327 V CA -0.903 61.538 62.300 0.236 0.000 0.856 327 V CB 0.958 32.957 31.823 0.293 0.000 1.087 327 V HN 0.566 nan 8.190 nan 0.000 0.467 328 P HA -0.177 nan 4.420 nan 0.000 0.218 328 P C 1.665 178.836 177.300 -0.216 0.000 1.148 328 P CA 1.176 63.969 63.100 -0.511 0.000 0.822 328 P CB 0.302 31.647 31.700 -0.592 0.000 0.784 329 E N -0.170 119.965 120.200 -0.109 0.000 2.265 329 E HA -0.121 4.230 4.350 0.001 0.000 0.196 329 E C 2.107 178.522 176.600 -0.309 0.000 0.996 329 E CA 1.574 57.904 56.400 -0.117 0.000 0.832 329 E CB -1.592 28.080 29.700 -0.046 0.000 0.756 329 E HN 0.206 nan 8.360 nan 0.000 0.491 330 G N 2.063 110.603 108.800 -0.434 0.000 2.469 330 G HA2 -0.260 3.701 3.960 0.001 0.000 0.220 330 G HA3 -0.260 3.701 3.960 0.001 0.000 0.220 330 G C 1.619 176.058 174.900 -0.767 0.000 1.136 330 G CA 0.873 45.531 45.100 -0.737 0.000 0.759 330 G HN 0.359 nan 8.290 nan 0.000 0.562 331 I N -0.973 119.115 120.570 -0.804 0.000 2.439 331 I HA -0.043 4.128 4.170 0.001 0.000 0.251 331 I C 2.394 178.443 176.117 -0.113 0.000 1.139 331 I CA 0.925 61.913 61.300 -0.520 0.000 1.438 331 I CB -0.000 37.926 38.000 -0.123 0.000 1.085 331 I HN 0.349 nan 8.210 nan 0.000 0.427 332 Y N 0.039 120.244 120.300 -0.159 0.000 2.163 332 Y HA -0.298 4.253 4.550 0.001 0.000 0.288 332 Y C 2.202 178.054 175.900 -0.081 0.000 1.136 332 Y CA 1.716 59.765 58.100 -0.085 0.000 1.147 332 Y CB -0.779 37.641 38.460 -0.065 0.000 0.987 332 Y HN 0.334 nan 8.280 nan 0.000 0.509 333 W N 0.841 121.982 121.300 -0.264 0.000 2.315 333 W HA -0.299 4.362 4.660 0.001 0.000 0.323 333 W C 2.210 178.582 176.519 -0.245 0.000 1.233 333 W CA 2.600 59.743 57.345 -0.337 0.000 1.267 333 W CB -0.695 28.471 29.460 -0.491 0.000 1.160 333 W HN 0.216 nan 8.180 nan 0.000 0.474 334 I N 0.451 121.071 120.570 0.083 0.000 2.361 334 I HA -0.274 3.896 4.170 0.001 0.000 0.251 334 I C 2.300 178.373 176.117 -0.073 0.000 1.133 334 I CA 1.622 62.990 61.300 0.113 0.000 1.413 334 I CB -0.604 37.607 38.000 0.352 0.000 1.073 334 I HN 0.058 nan 8.210 nan 0.000 0.424 335 L N -0.247 120.892 121.223 -0.141 0.000 2.027 335 L HA -0.190 4.150 4.340 0.001 0.000 0.206 335 L C 2.509 179.204 176.870 -0.291 0.000 1.074 335 L CA 1.038 55.781 54.840 -0.163 0.000 0.745 335 L CB -0.726 41.271 42.059 -0.104 0.000 0.898 335 L HN 0.062 nan 8.230 nan 0.000 0.433 336 K N 0.263 120.374 120.400 -0.482 0.000 2.057 336 K HA -0.203 4.117 4.320 0.001 0.000 0.207 336 K C 2.111 178.440 176.600 -0.452 0.000 1.049 336 K CA 1.344 57.321 56.287 -0.517 0.000 0.931 336 K CB -0.248 31.819 32.500 -0.722 0.000 0.714 336 K HN 0.057 nan 8.250 nan 0.000 0.440 337 K N 0.793 120.846 120.400 -0.577 0.000 2.155 337 K HA -0.026 4.295 4.320 0.001 0.000 0.203 337 K C 1.938 178.431 176.600 -0.178 0.000 1.052 337 K CA 0.425 56.399 56.287 -0.521 0.000 0.948 337 K CB -0.254 31.634 32.500 -1.021 0.000 0.728 337 K HN -0.065 nan 8.250 nan 0.000 0.448 338 V N 0.622 120.422 119.914 -0.190 0.000 2.379 338 V HA -0.210 3.910 4.120 0.001 0.000 0.245 338 V C 2.119 178.100 176.094 -0.189 0.000 1.044 338 V CA 2.042 64.165 62.300 -0.295 0.000 1.036 338 V CB -0.204 31.263 31.823 -0.594 0.000 0.664 338 V HN 0.358 nan 8.190 nan 0.000 0.453 339 K N 0.955 121.242 120.400 -0.189 0.000 2.009 339 K HA -0.263 4.057 4.320 0.001 0.000 0.210 339 K C 2.179 178.677 176.600 -0.170 0.000 1.049 339 K CA 2.594 58.784 56.287 -0.162 0.000 0.929 339 K CB -0.691 31.712 32.500 -0.162 0.000 0.714 339 K HN 0.621 nan 8.250 nan 0.000 0.440 340 E N 0.095 120.180 120.200 -0.191 0.000 2.085 340 E HA -0.249 4.102 4.350 0.001 0.000 0.194 340 E C 1.717 178.191 176.600 -0.210 0.000 0.994 340 E CA 1.645 57.935 56.400 -0.184 0.000 0.801 340 E CB -0.031 29.551 29.700 -0.197 0.000 0.743 340 E HN 0.544 nan 8.360 nan 0.000 0.453 341 E N -1.496 118.556 120.200 -0.247 0.000 2.122 341 E HA -0.089 4.262 4.350 0.001 0.000 0.190 341 E C 0.969 177.112 176.600 -0.761 0.000 0.977 341 E CA 0.863 56.981 56.400 -0.470 0.000 0.820 341 E CB 0.249 29.697 29.700 -0.420 0.000 0.770 341 E HN 0.370 nan 8.360 nan 0.000 0.462 342 Y N -1.063 119.138 120.300 -0.165 0.000 2.499 342 Y HA 0.209 4.759 4.550 0.001 0.000 0.253 342 Y C 0.196 175.797 175.900 -0.498 0.000 1.105 342 Y CA -0.514 57.361 58.100 -0.375 0.000 1.240 342 Y CB 0.461 38.673 38.460 -0.413 0.000 1.289 342 Y HN -0.128 nan 8.280 nan 0.000 0.534 343 N N 1.519 120.096 118.700 -0.204 0.000 2.699 343 N HA -0.134 4.606 4.740 0.001 0.000 0.256 343 N C -2.853 172.566 175.510 -0.152 0.000 0.993 343 N CA 0.190 53.142 53.050 -0.164 0.000 0.759 343 N CB -0.348 38.059 38.487 -0.133 0.000 0.906 343 N HN 0.166 nan 8.380 nan 0.000 0.541 344 P HA 0.134 nan 4.420 nan 0.000 0.272 344 P C -1.728 175.611 177.300 0.066 0.000 1.223 344 P CA -1.042 62.071 63.100 0.021 0.000 0.784 344 P CB 0.496 32.274 31.700 0.131 0.000 0.923 345 P HA -0.048 nan 4.420 nan 0.000 0.217 345 P C 0.121 177.484 177.300 0.106 0.000 1.150 345 P CA 1.495 64.659 63.100 0.107 0.000 0.832 345 P CB 0.532 32.314 31.700 0.138 0.000 0.787 346 E N -1.111 119.189 120.200 0.167 0.000 2.340 346 E HA 0.495 4.846 4.350 0.001 0.000 0.273 346 E C -1.330 175.386 176.600 0.194 0.000 0.891 346 E CA -0.935 55.554 56.400 0.147 0.000 0.757 346 E CB 2.991 32.828 29.700 0.229 0.000 1.231 346 E HN -0.301 nan 8.360 nan 0.000 0.439 347 V N 2.212 122.158 119.914 0.054 0.000 2.789 347 V HA 0.473 4.594 4.120 0.001 0.000 0.311 347 V C -1.369 174.692 176.094 -0.055 0.000 1.073 347 V CA -0.883 61.487 62.300 0.116 0.000 0.921 347 V CB 1.261 33.124 31.823 0.066 0.000 1.009 347 V HN 0.586 nan 8.190 nan 0.000 0.426 348 Y N 2.488 122.871 120.300 0.140 0.000 2.499 348 Y HA 0.580 5.130 4.550 0.001 0.000 0.347 348 Y C -0.001 175.982 175.900 0.139 0.000 0.987 348 Y CA -1.133 57.020 58.100 0.087 0.000 1.044 348 Y CB 1.879 40.348 38.460 0.015 0.000 1.245 348 Y HN 0.352 nan 8.280 nan 0.000 0.461 349 I N 3.095 123.855 120.570 0.317 0.000 2.308 349 I HA 0.056 4.227 4.170 0.001 0.000 0.293 349 I C 1.056 177.313 176.117 0.232 0.000 1.078 349 I CA 0.102 61.563 61.300 0.267 0.000 1.292 349 I CB 0.463 38.665 38.000 0.336 0.000 1.423 349 I HN 0.819 nan 8.210 nan 0.000 0.493 350 T N 2.269 116.906 114.554 0.139 0.000 3.081 350 T HA 0.221 4.572 4.350 0.001 0.000 0.255 350 T C 0.561 175.265 174.700 0.007 0.000 1.113 350 T CA 0.195 62.270 62.100 -0.041 0.000 1.082 350 T CB 0.373 69.159 68.868 -0.137 0.000 0.939 350 T HN 0.559 nan 8.240 nan 0.000 0.506 351 E N 0.670 120.896 120.200 0.042 0.000 2.354 351 E HA 0.444 4.794 4.350 0.001 0.000 0.283 351 E C -1.528 174.981 176.600 -0.152 0.000 0.938 351 E CA -0.747 55.681 56.400 0.048 0.000 0.777 351 E CB 1.863 31.627 29.700 0.106 0.000 1.222 351 E HN 0.225 nan 8.360 nan 0.000 0.423 352 N N 1.708 120.288 118.700 -0.201 0.000 2.635 352 N HA 0.518 5.259 4.740 0.001 0.000 0.260 352 N C -1.340 174.182 175.510 0.019 0.000 1.078 352 N CA -0.160 52.739 53.050 -0.252 0.000 1.012 352 N CB 2.019 40.548 38.487 0.069 0.000 1.677 352 N HN 0.655 nan 8.380 nan 0.000 0.514 353 G N 0.850 109.693 108.800 0.071 0.000 2.342 353 G HA2 0.728 4.689 3.960 0.001 0.000 0.297 353 G HA3 0.728 4.689 3.960 0.001 0.000 0.297 353 G C -2.136 172.814 174.900 0.083 0.000 1.313 353 G CA -0.024 45.236 45.100 0.267 0.000 0.830 353 G HN 0.740 nan 8.290 nan 0.000 0.506 354 A N -1.365 121.429 122.820 -0.042 0.000 2.547 354 A HA 0.967 5.288 4.320 0.001 0.000 0.297 354 A C -0.258 176.742 177.584 -0.973 0.000 1.056 354 A CA 0.298 51.967 52.037 -0.614 0.000 0.688 354 A CB 1.329 19.615 19.000 -1.189 0.000 1.282 354 A HN 2.436 nan 8.150 nan 0.000 0.400 355 A N 1.242 123.147 122.820 -1.525 0.000 2.301 355 A HA 0.820 5.140 4.320 0.001 0.000 0.298 355 A C -1.018 175.905 177.584 -1.102 0.000 1.185 355 A CA -0.015 51.206 52.037 -1.359 0.000 0.830 355 A CB -0.203 17.948 19.000 -1.415 0.000 1.112 355 A HN 0.830 nan 8.150 nan 0.000 0.508 356 F N 0.104 119.865 119.950 -0.315 0.000 2.613 356 F HA 0.305 4.833 4.527 0.001 0.000 0.314 356 F C -0.269 175.461 175.800 -0.117 0.000 1.075 356 F CA -1.003 56.892 58.000 -0.175 0.000 0.945 356 F CB 1.899 40.831 39.000 -0.113 0.000 1.310 356 F HN 0.502 nan 8.300 nan 0.000 0.467 357 D N 2.279 122.768 120.400 0.148 0.000 2.455 357 D HA 0.065 4.705 4.640 0.001 0.000 0.234 357 D C -0.677 175.684 176.300 0.101 0.000 1.224 357 D CA 0.209 54.260 54.000 0.085 0.000 0.999 357 D CB 0.079 40.915 40.800 0.060 0.000 1.072 357 D HN 0.345 nan 8.370 nan 0.000 0.514 358 D N 1.140 121.617 120.400 0.128 0.000 2.351 358 D HA 0.121 4.761 4.640 0.001 0.000 0.251 358 D C 0.133 176.514 176.300 0.135 0.000 1.137 358 D CA -0.145 53.942 54.000 0.145 0.000 0.879 358 D CB 2.577 43.516 40.800 0.232 0.000 1.181 358 D HN 0.050 nan 8.370 nan 0.000 0.448 359 V N 2.408 122.331 119.914 0.014 0.000 2.588 359 V HA 0.268 4.388 4.120 0.001 0.000 0.304 359 V C -0.643 175.337 176.094 -0.191 0.000 1.042 359 V CA -0.673 61.594 62.300 -0.056 0.000 0.877 359 V CB 1.980 33.794 31.823 -0.015 0.000 0.996 359 V HN 0.244 nan 8.190 nan 0.000 0.425 360 V N 7.069 126.795 119.914 -0.313 0.000 2.405 360 V HA 0.298 4.418 4.120 0.001 0.000 0.264 360 V C 0.923 176.920 176.094 -0.161 0.000 1.048 360 V CA 0.265 62.365 62.300 -0.333 0.000 0.966 360 V CB 0.774 32.345 31.823 -0.419 0.000 1.015 360 V HN 1.046 nan 8.190 nan 0.000 0.477 361 S N 3.637 119.269 115.700 -0.112 0.000 2.596 361 S HA 0.086 4.557 4.470 0.001 0.000 0.260 361 S C 1.306 175.888 174.600 -0.030 0.000 1.336 361 S CA -0.518 57.669 58.200 -0.022 0.000 0.993 361 S CB 0.637 63.892 63.200 0.093 0.000 0.923 361 S HN 0.849 nan 8.310 nan 0.000 0.567 362 E N 0.833 121.030 120.200 -0.004 0.000 2.268 362 E HA -0.163 4.188 4.350 0.001 0.000 0.195 362 E C 1.115 177.713 176.600 -0.003 0.000 0.995 362 E CA 0.988 57.383 56.400 -0.009 0.000 0.836 362 E CB -0.077 29.622 29.700 -0.003 0.000 0.763 362 E HN 0.635 nan 8.360 nan 0.000 0.491 363 D N -0.528 119.884 120.400 0.020 0.000 2.363 363 D HA -0.043 4.597 4.640 0.001 0.000 0.226 363 D C 1.316 177.616 176.300 -0.001 0.000 1.020 363 D CA 0.886 54.903 54.000 0.029 0.000 0.892 363 D CB -0.008 40.846 40.800 0.090 0.000 0.900 363 D HN 0.202 nan 8.370 nan 0.000 0.531 364 G N 0.164 108.941 108.800 -0.038 0.000 2.157 364 G HA2 -0.264 3.697 3.960 0.001 0.000 0.248 364 G HA3 -0.264 3.697 3.960 0.001 0.000 0.248 364 G C 0.230 175.062 174.900 -0.112 0.000 0.979 364 G CA 0.104 45.161 45.100 -0.070 0.000 0.650 364 G HN 0.463 nan 8.290 nan 0.000 0.529 365 R N -0.544 119.858 120.500 -0.164 0.000 2.856 365 R HA 0.736 5.076 4.340 0.001 0.000 0.258 365 R C -0.567 175.475 176.300 -0.430 0.000 1.066 365 R CA -0.798 55.130 56.100 -0.288 0.000 1.045 365 R CB 1.478 31.546 30.300 -0.387 0.000 1.178 365 R HN 0.260 nan 8.270 nan 0.000 0.499 366 V N 2.716 122.391 119.914 -0.398 0.000 2.304 366 V HA 0.173 4.293 4.120 0.001 0.000 0.278 366 V C 0.050 175.981 176.094 -0.272 0.000 1.018 366 V CA -0.683 61.432 62.300 -0.308 0.000 0.814 366 V CB 0.801 32.511 31.823 -0.189 0.000 1.021 366 V HN 0.591 nan 8.190 nan 0.000 0.440 367 H N 3.794 122.848 119.070 -0.026 0.000 2.768 367 H HA 0.114 4.671 4.556 0.001 0.000 0.228 367 H C 0.258 175.558 175.328 -0.046 0.000 1.812 367 H CA -0.356 55.680 56.048 -0.021 0.000 1.273 367 H CB -0.120 29.626 29.762 -0.026 0.000 1.631 367 H HN 0.758 nan 8.280 nan 0.000 0.526 368 D N 0.438 120.851 120.400 0.021 0.000 2.671 368 D HA -0.067 4.574 4.640 0.001 0.000 0.228 368 D C 1.294 177.542 176.300 -0.087 0.000 1.102 368 D CA -0.264 53.713 54.000 -0.038 0.000 1.044 368 D CB 0.478 41.280 40.800 0.004 0.000 1.113 368 D HN 0.174 nan 8.370 nan 0.000 0.480 369 Q N 1.903 121.645 119.800 -0.097 0.000 2.170 369 Q HA -0.231 4.110 4.340 0.001 0.000 0.203 369 Q C 1.299 177.172 176.000 -0.211 0.000 0.976 369 Q CA 1.756 57.480 55.803 -0.131 0.000 0.858 369 Q CB -0.185 28.496 28.738 -0.096 0.000 0.907 369 Q HN 0.513 nan 8.270 nan 0.000 0.433 370 N N -0.092 118.401 118.700 -0.345 0.000 2.104 370 N HA -0.236 4.505 4.740 0.001 0.000 0.190 370 N C 1.612 176.896 175.510 -0.377 0.000 1.024 370 N CA 1.799 54.500 53.050 -0.582 0.000 0.853 370 N CB -0.668 37.065 38.487 -1.257 0.000 1.008 370 N HN 0.290 nan 8.380 nan 0.000 0.424 371 R N 0.401 120.775 120.500 -0.210 0.000 2.092 371 R HA 0.126 4.466 4.340 0.001 0.000 0.231 371 R C 2.091 178.424 176.300 0.054 0.000 1.119 371 R CA 0.871 57.089 56.100 0.198 0.000 0.970 371 R CB -0.207 30.230 30.300 0.227 0.000 0.864 371 R HN 0.263 nan 8.270 nan 0.000 0.440 372 I N 1.039 121.507 120.570 -0.170 0.000 2.179 372 I HA -0.284 3.887 4.170 0.001 0.000 0.242 372 I C 1.572 177.417 176.117 -0.452 0.000 1.088 372 I CA 1.340 62.318 61.300 -0.537 0.000 1.357 372 I CB -0.386 37.232 38.000 -0.637 0.000 1.051 372 I HN 0.177 nan 8.210 nan 0.000 0.409 373 D N 0.166 120.446 120.400 -0.201 0.000 2.123 373 D HA -0.237 4.403 4.640 0.001 0.000 0.196 373 D C 1.919 178.265 176.300 0.076 0.000 0.992 373 D CA 1.385 55.339 54.000 -0.076 0.000 0.833 373 D CB -0.474 40.304 40.800 -0.036 0.000 0.954 373 D HN 0.346 nan 8.370 nan 0.000 0.455 374 Y N 1.376 121.738 120.300 0.103 0.000 2.097 374 Y HA -0.188 4.362 4.550 0.001 0.000 0.282 374 Y C 2.236 178.361 175.900 0.375 0.000 1.152 374 Y CA 1.465 59.754 58.100 0.316 0.000 1.136 374 Y CB -0.481 38.218 38.460 0.398 0.000 0.975 374 Y HN -0.088 nan 8.280 nan 0.000 0.498 375 L N 0.231 121.725 121.223 0.453 0.000 1.994 375 L HA -0.254 4.087 4.340 0.001 0.000 0.208 375 L C 2.619 179.714 176.870 0.374 0.000 1.071 375 L CA 2.048 57.154 54.840 0.442 0.000 0.745 375 L CB -0.708 41.564 42.059 0.356 0.000 0.892 375 L HN 0.158 nan 8.230 nan 0.000 0.431 376 K N 0.384 120.867 120.400 0.137 0.000 2.032 376 K HA -0.229 4.091 4.320 0.001 0.000 0.209 376 K C 2.136 178.857 176.600 0.202 0.000 1.048 376 K CA 1.542 57.999 56.287 0.283 0.000 0.927 376 K CB -0.147 32.434 32.500 0.134 0.000 0.712 376 K HN 0.282 nan 8.250 nan 0.000 0.441 377 A N 0.434 123.315 122.820 0.103 0.000 1.940 377 A HA -0.196 4.124 4.320 0.001 0.000 0.219 377 A C 1.691 179.251 177.584 -0.041 0.000 1.176 377 A CA 1.892 53.924 52.037 -0.008 0.000 0.631 377 A CB -0.793 18.139 19.000 -0.114 0.000 0.814 377 A HN 0.498 nan 8.150 nan 0.000 0.446 378 H N -0.756 118.354 119.070 0.066 0.000 2.403 378 H HA 0.170 4.726 4.556 0.001 0.000 0.298 378 H C 1.864 177.304 175.328 0.187 0.000 1.059 378 H CA 1.286 57.409 56.048 0.125 0.000 1.363 378 H CB -0.121 29.740 29.762 0.165 0.000 1.410 378 H HN 0.436 nan 8.280 nan 0.000 0.528 379 I N 0.086 120.829 120.570 0.288 0.000 2.361 379 I HA -0.187 3.983 4.170 0.001 0.000 0.251 379 I C 2.603 178.944 176.117 0.373 0.000 1.133 379 I CA 1.216 62.652 61.300 0.228 0.000 1.413 379 I CB -0.424 37.700 38.000 0.207 0.000 1.073 379 I HN 0.368 nan 8.210 nan 0.000 0.424 380 G N 0.111 109.071 108.800 0.266 0.000 2.418 380 G HA2 -0.210 3.750 3.960 0.001 0.000 0.217 380 G HA3 -0.210 3.750 3.960 0.001 0.000 0.217 380 G C 1.589 176.648 174.900 0.265 0.000 1.158 380 G CA 0.328 45.562 45.100 0.223 0.000 0.771 380 G HN 0.284 nan 8.290 nan 0.000 0.545 381 Q N 0.314 120.229 119.800 0.192 0.000 2.230 381 Q HA 0.109 4.449 4.340 0.001 0.000 0.202 381 Q C 2.829 178.982 176.000 0.255 0.000 0.963 381 Q CA 1.136 57.040 55.803 0.169 0.000 0.866 381 Q CB -0.337 28.451 28.738 0.083 0.000 0.931 381 Q HN 0.480 nan 8.270 nan 0.000 0.452 382 A N -0.493 122.504 122.820 0.294 0.000 1.930 382 A HA -0.129 4.192 4.320 0.001 0.000 0.215 382 A C 1.835 179.552 177.584 0.220 0.000 1.176 382 A CA 0.747 52.966 52.037 0.303 0.000 0.632 382 A CB -0.848 18.393 19.000 0.401 0.000 0.819 382 A HN 0.500 nan 8.150 nan 0.000 0.445 383 W N 1.159 122.457 121.300 -0.003 0.000 2.355 383 W HA -0.197 4.463 4.660 0.001 0.000 0.309 383 W C 2.148 178.528 176.519 -0.231 0.000 1.206 383 W CA 2.217 59.305 57.345 -0.429 0.000 1.284 383 W CB -0.063 29.113 29.460 -0.474 0.000 1.145 383 W HN 0.273 nan 8.180 nan 0.000 0.502 384 K N 0.153 120.555 120.400 0.002 0.000 2.032 384 K HA -0.223 4.098 4.320 0.001 0.000 0.209 384 K C 2.158 178.699 176.600 -0.100 0.000 1.048 384 K CA 1.971 58.188 56.287 -0.117 0.000 0.927 384 K CB -0.593 31.944 32.500 0.061 0.000 0.712 384 K HN 0.158 nan 8.250 nan 0.000 0.441 385 A N 1.102 123.963 122.820 0.068 0.000 1.972 385 A HA -0.108 4.213 4.320 0.001 0.000 0.219 385 A C 2.038 179.529 177.584 -0.155 0.000 1.169 385 A CA 1.320 53.340 52.037 -0.030 0.000 0.635 385 A CB -0.510 18.456 19.000 -0.056 0.000 0.810 385 A HN 0.362 nan 8.150 nan 0.000 0.446 386 I N -0.383 120.045 120.570 -0.238 0.000 2.252 386 I HA -0.256 3.915 4.170 0.001 0.000 0.245 386 I C 2.528 178.418 176.117 -0.378 0.000 1.102 386 I CA 1.045 62.166 61.300 -0.298 0.000 1.385 386 I CB -0.388 37.384 38.000 -0.380 0.000 1.064 386 I HN 0.327 nan 8.210 nan 0.000 0.414 387 Q N 1.072 120.533 119.800 -0.565 0.000 2.084 387 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 387 Q C 1.483 177.314 176.000 -0.281 0.000 0.978 387 Q CA 1.396 56.889 55.803 -0.518 0.000 0.844 387 Q CB -0.541 27.747 28.738 -0.750 0.000 0.898 387 Q HN 0.598 nan 8.270 nan 0.000 0.426 388 E N -0.185 119.890 120.200 -0.208 0.000 2.416 388 E HA 0.196 4.546 4.350 0.001 0.000 0.189 388 E C 0.421 176.946 176.600 -0.125 0.000 1.091 388 E CA 0.291 56.618 56.400 -0.122 0.000 0.889 388 E CB -0.071 29.603 29.700 -0.043 0.000 1.015 388 E HN 0.509 nan 8.360 nan 0.000 0.479 389 G N 0.677 109.391 108.800 -0.144 0.000 2.175 389 G HA2 -0.276 3.684 3.960 0.001 0.000 0.244 389 G HA3 -0.276 3.684 3.960 0.001 0.000 0.244 389 G C 0.433 175.268 174.900 -0.108 0.000 0.982 389 G CA -0.031 44.999 45.100 -0.116 0.000 0.641 389 G HN 0.200 nan 8.290 nan 0.000 0.527 390 V N 2.622 122.464 119.914 -0.121 0.000 2.529 390 V HA 0.304 4.424 4.120 0.001 0.000 0.292 390 V C -0.780 175.272 176.094 -0.070 0.000 1.028 390 V CA -0.253 61.984 62.300 -0.104 0.000 1.074 390 V CB 1.116 32.869 31.823 -0.117 0.000 0.958 390 V HN 0.253 nan 8.190 nan 0.000 0.481 391 P HA 0.122 nan 4.420 nan 0.000 0.225 391 P C -0.396 176.874 177.300 -0.049 0.000 1.768 391 P CA -0.319 62.758 63.100 -0.038 0.000 0.943 391 P CB 0.100 31.786 31.700 -0.024 0.000 1.936 392 L N 1.620 122.833 121.223 -0.016 0.000 2.369 392 L HA 0.136 4.476 4.340 0.001 0.000 0.279 392 L C 1.158 178.012 176.870 -0.027 0.000 1.108 392 L CA 0.624 55.464 54.840 0.000 0.000 0.852 392 L CB 0.469 42.624 42.059 0.161 0.000 1.169 392 L HN -0.117 nan 8.230 nan 0.000 0.452 393 K N 3.995 124.117 120.400 -0.464 0.000 2.353 393 K HA 0.465 4.785 4.320 0.001 0.000 0.195 393 K C 0.392 176.356 176.600 -1.060 0.000 1.031 393 K CA 0.438 56.347 56.287 -0.629 0.000 1.079 393 K CB 0.905 32.953 32.500 -0.753 0.000 0.857 393 K HN 0.746 nan 8.250 nan 0.000 0.535 394 G N 0.432 108.530 108.800 -1.169 0.000 2.579 394 G HA2 0.383 4.344 3.960 0.001 0.000 0.292 394 G HA3 0.383 4.344 3.960 0.001 0.000 0.292 394 G C -2.376 172.266 174.900 -0.430 0.000 1.484 394 G CA -0.639 43.795 45.100 -1.111 0.000 0.813 394 G HN 0.018 nan 8.290 nan 0.000 0.515 395 Y N 0.247 120.203 120.300 -0.572 0.000 2.433 395 Y HA 0.767 5.317 4.550 0.001 0.000 0.337 395 Y C -1.993 173.848 175.900 -0.098 0.000 1.026 395 Y CA -1.580 56.484 58.100 -0.060 0.000 1.037 395 Y CB 1.875 40.405 38.460 0.117 0.000 1.245 395 Y HN 0.464 nan 8.280 nan 0.000 0.443 396 F N 5.452 125.134 119.950 -0.447 0.000 2.507 396 F HA 0.525 5.053 4.527 0.001 0.000 0.328 396 F C -0.680 174.908 175.800 -0.353 0.000 1.136 396 F CA -1.109 56.748 58.000 -0.237 0.000 0.930 396 F CB 1.776 40.688 39.000 -0.146 0.000 1.166 396 F HN 0.227 nan 8.300 nan 0.000 0.436 397 V N 3.666 123.561 119.914 -0.032 0.000 2.508 397 V HA -0.033 4.087 4.120 0.001 0.000 0.281 397 V C -0.315 175.860 176.094 0.136 0.000 1.041 397 V CA -0.560 61.718 62.300 -0.037 0.000 1.016 397 V CB 0.781 32.477 31.823 -0.211 0.000 0.984 397 V HN 0.741 nan 8.190 nan 0.000 0.478 398 W N 5.723 127.041 121.300 0.031 0.000 2.308 398 W HA 0.587 5.247 4.660 0.000 0.000 0.311 398 W C -0.149 176.465 176.519 0.158 0.000 1.088 398 W CA -0.110 57.286 57.345 0.085 0.000 1.309 398 W CB 1.559 31.086 29.460 0.111 0.000 1.229 398 W HN 0.623 nan 8.180 nan 0.000 0.427 399 S N 4.194 119.734 115.700 -0.266 0.000 2.667 399 S HA 0.303 4.773 4.470 0.001 0.000 0.292 399 S C 0.446 174.878 174.600 -0.280 0.000 1.126 399 S CA -0.708 57.088 58.200 -0.673 0.000 0.881 399 S CB 1.531 63.956 63.200 -1.292 0.000 1.132 399 S HN 0.531 nan 8.310 nan 0.000 0.492 400 L N 2.685 123.778 121.223 -0.216 0.000 1.971 400 L HA 0.186 4.526 4.340 0.001 0.000 0.215 400 L C 0.092 176.882 176.870 -0.133 0.000 1.072 400 L CA 2.069 56.844 54.840 -0.108 0.000 0.758 400 L CB -0.494 41.526 42.059 -0.065 0.000 0.889 400 L HN 0.661 nan 8.230 nan 0.000 0.433 401 L N -0.383 120.729 121.223 -0.185 0.000 2.330 401 L HA 0.347 4.688 4.340 0.001 0.000 0.271 401 L C -0.453 176.334 176.870 -0.137 0.000 1.013 401 L CA -1.231 53.525 54.840 -0.139 0.000 0.816 401 L CB 1.027 43.027 42.059 -0.098 0.000 1.287 401 L HN -0.075 nan 8.230 nan 0.000 0.435 402 D N 2.395 122.734 120.400 -0.103 0.000 2.455 402 D HA 0.136 4.776 4.640 0.001 0.000 0.241 402 D C -0.417 175.939 176.300 0.094 0.000 1.138 402 D CA 0.501 54.481 54.000 -0.034 0.000 0.877 402 D CB 0.340 41.027 40.800 -0.188 0.000 1.187 402 D HN 0.649 nan 8.370 nan 0.000 0.451 403 N N 0.214 119.023 118.700 0.181 0.000 3.344 403 N HA 0.208 4.949 4.740 0.001 0.000 0.296 403 N C -1.021 174.577 175.510 0.146 0.000 1.571 403 N CA -0.827 52.346 53.050 0.205 0.000 0.844 403 N CB 0.675 39.160 38.487 -0.002 0.000 1.718 403 N HN 0.217 nan 8.380 nan 0.000 0.589 404 F N 1.470 121.282 119.950 -0.229 0.000 2.487 404 F HA 0.133 4.661 4.527 0.000 0.000 0.364 404 F C 0.667 176.060 175.800 -0.679 0.000 1.126 404 F CA -0.145 57.420 58.000 -0.725 0.000 1.135 404 F CB 0.453 38.996 39.000 -0.762 0.000 1.127 404 F HN 0.586 nan 8.300 nan 0.000 0.559 405 E N 7.526 127.210 120.200 -0.860 0.000 2.341 405 E HA 0.197 4.548 4.350 0.001 0.000 0.279 405 E C -0.293 175.896 176.600 -0.685 0.000 1.395 405 E CA -0.226 55.804 56.400 -0.617 0.000 1.648 405 E CB -0.465 29.156 29.700 -0.132 0.000 1.524 405 E HN 0.743 nan 8.360 nan 0.000 0.462 406 W N 0.850 121.573 121.300 -0.962 0.000 2.152 406 W HA -0.466 4.195 4.660 0.000 0.000 0.285 406 W C 1.698 177.966 176.519 -0.418 0.000 1.275 406 W CA 0.822 57.703 57.345 -0.775 0.000 1.220 406 W CB -1.662 27.538 29.460 -0.434 0.000 0.889 406 W HN 0.314 nan 8.180 nan 0.000 0.529 407 A N 0.209 123.282 122.820 0.421 0.000 2.209 407 A HA -0.070 4.251 4.320 0.001 0.000 0.212 407 A C 1.554 179.222 177.584 0.140 0.000 1.158 407 A CA 1.763 54.048 52.037 0.413 0.000 0.742 407 A CB -0.518 18.820 19.000 0.564 0.000 0.790 407 A HN 0.443 nan 8.150 nan 0.000 0.472 408 E N -0.571 119.630 120.200 0.001 0.000 2.442 408 E HA 0.222 4.572 4.350 0.001 0.000 0.195 408 E C 1.466 177.946 176.600 -0.200 0.000 1.030 408 E CA 0.624 56.986 56.400 -0.064 0.000 0.869 408 E CB -0.409 29.260 29.700 -0.050 0.000 0.857 408 E HN 0.630 nan 8.360 nan 0.000 0.505 409 G N 1.260 109.779 108.800 -0.469 0.000 2.564 409 G HA2 -0.354 3.607 3.960 0.001 0.000 0.273 409 G HA3 -0.354 3.607 3.960 0.001 0.000 0.273 409 G C 0.356 174.879 174.900 -0.628 0.000 1.242 409 G CA 0.348 45.068 45.100 -0.634 0.000 0.951 409 G HN 0.286 nan 8.290 nan 0.000 0.564 410 Y N 1.606 121.817 120.300 -0.148 0.000 2.578 410 Y HA 0.233 4.783 4.550 0.000 0.000 0.297 410 Y C 2.958 178.833 175.900 -0.041 0.000 1.176 410 Y CA 1.315 59.324 58.100 -0.151 0.000 1.315 410 Y CB -0.009 38.213 38.460 -0.396 0.000 1.031 410 Y HN 0.634 nan 8.280 nan 0.000 0.524 411 S N -0.839 114.875 115.700 0.023 0.000 2.522 411 S HA 0.008 4.478 4.470 0.001 0.000 0.227 411 S C 0.528 175.119 174.600 -0.015 0.000 0.986 411 S CA 0.134 58.349 58.200 0.024 0.000 0.929 411 S CB -0.046 63.154 63.200 0.000 0.000 0.769 411 S HN -0.013 nan 8.310 nan 0.000 0.529 412 K N 2.062 122.440 120.400 -0.037 0.000 2.307 412 K HA 0.400 4.720 4.320 0.001 0.000 0.263 412 K C -0.859 175.727 176.600 -0.023 0.000 0.973 412 K CA -0.214 56.019 56.287 -0.089 0.000 0.846 412 K CB 1.583 34.018 32.500 -0.109 0.000 1.100 412 K HN 0.276 nan 8.250 nan 0.000 0.438 413 R N 2.772 123.203 120.500 -0.114 0.000 2.246 413 R HA 0.304 4.644 4.340 0.001 0.000 0.332 413 R C 0.161 176.370 176.300 -0.153 0.000 0.974 413 R CA -0.237 55.831 56.100 -0.054 0.000 0.837 413 R CB 0.410 30.682 30.300 -0.046 0.000 1.145 413 R HN 0.524 nan 8.270 nan 0.000 0.467 414 F N 0.302 120.238 119.950 -0.023 0.000 2.721 414 F HA 0.208 4.735 4.527 0.000 0.000 0.301 414 F C 1.707 177.472 175.800 -0.058 0.000 1.096 414 F CA -0.290 57.712 58.000 0.004 0.000 1.308 414 F CB 0.782 39.884 39.000 0.170 0.000 1.086 414 F HN 0.589 nan 8.300 nan 0.000 0.587 415 G N 0.965 109.801 108.800 0.061 0.000 2.569 415 G HA2 0.278 4.239 3.960 0.001 0.000 0.249 415 G HA3 0.278 4.239 3.960 0.001 0.000 0.249 415 G C 0.954 175.860 174.900 0.010 0.000 1.216 415 G CA -0.373 44.713 45.100 -0.023 0.000 0.845 415 G HN 0.419 nan 8.290 nan 0.000 0.568 416 I N -1.584 118.980 120.570 -0.009 0.000 3.883 416 I HA 0.323 4.494 4.170 0.001 0.000 0.326 416 I C -0.383 175.713 176.117 -0.035 0.000 1.283 416 I CA -0.130 61.173 61.300 0.006 0.000 1.161 416 I CB 0.240 38.256 38.000 0.026 0.000 1.012 416 I HN 0.001 nan 8.210 nan 0.000 0.421 417 V N 1.452 121.340 119.914 -0.043 0.000 2.444 417 V HA 0.279 4.399 4.120 0.001 0.000 0.294 417 V C -0.793 175.287 176.094 -0.025 0.000 1.022 417 V CA -0.705 61.564 62.300 -0.051 0.000 0.850 417 V CB 1.347 33.128 31.823 -0.070 0.000 0.992 417 V HN 0.202 nan 8.190 nan 0.000 0.426 418 Y N 4.858 125.086 120.300 -0.120 0.000 2.425 418 Y HA 0.419 4.970 4.550 0.001 0.000 0.331 418 Y C -0.029 175.762 175.900 -0.183 0.000 1.157 418 Y CA 0.294 58.312 58.100 -0.136 0.000 1.372 418 Y CB 1.097 39.483 38.460 -0.123 0.000 1.253 418 Y HN 0.407 nan 8.280 nan 0.000 0.536 419 V N 6.761 126.287 119.914 -0.647 0.000 2.378 419 V HA 0.131 4.251 4.120 0.001 0.000 0.288 419 V C -0.603 174.946 176.094 -0.907 0.000 1.016 419 V CA -1.010 60.917 62.300 -0.622 0.000 0.840 419 V CB 1.418 32.873 31.823 -0.614 0.000 0.994 419 V HN 0.702 nan 8.190 nan 0.000 0.431 420 D N 3.740 123.932 120.400 -0.346 0.000 2.365 420 D HA 0.153 4.794 4.640 0.001 0.000 0.237 420 D C 0.456 176.620 176.300 -0.225 0.000 1.190 420 D CA -0.037 53.861 54.000 -0.170 0.000 0.867 420 D CB 0.917 41.760 40.800 0.071 0.000 1.050 420 D HN 0.476 nan 8.370 nan 0.000 0.491 421 Y N 1.649 121.890 120.300 -0.099 0.000 2.293 421 Y HA -0.180 4.371 4.550 0.001 0.000 0.291 421 Y C 2.667 178.505 175.900 -0.103 0.000 1.137 421 Y CA 1.193 59.205 58.100 -0.147 0.000 1.202 421 Y CB -0.475 37.842 38.460 -0.238 0.000 0.990 421 Y HN 0.459 nan 8.280 nan 0.000 0.537 422 S N -1.481 114.261 115.700 0.069 0.000 2.447 422 S HA -0.117 4.353 4.470 0.001 0.000 0.233 422 S C 1.650 176.259 174.600 0.016 0.000 1.006 422 S CA 1.387 59.608 58.200 0.034 0.000 0.957 422 S CB -0.767 62.453 63.200 0.033 0.000 0.773 422 S HN 0.545 nan 8.310 nan 0.000 0.507 423 T N -4.002 110.557 114.554 0.007 0.000 2.958 423 T HA 0.277 4.627 4.350 0.001 0.000 0.256 423 T C 0.535 175.227 174.700 -0.013 0.000 0.983 423 T CA 0.166 62.264 62.100 -0.003 0.000 0.924 423 T CB 0.086 68.951 68.868 -0.005 0.000 1.136 423 T HN 0.139 nan 8.240 nan 0.000 0.506 424 Q N 0.152 119.939 119.800 -0.022 0.000 2.424 424 Q HA -0.158 4.183 4.340 0.001 0.000 0.234 424 Q C 0.055 176.025 176.000 -0.050 0.000 0.748 424 Q CA 0.940 56.722 55.803 -0.035 0.000 1.286 424 Q CB -1.744 26.988 28.738 -0.010 0.000 1.494 424 Q HN 0.780 nan 8.270 nan 0.000 0.683 425 K N 1.353 121.728 120.400 -0.042 0.000 2.451 425 K HA 0.183 4.503 4.320 0.001 0.000 0.280 425 K C -0.204 176.376 176.600 -0.033 0.000 1.020 425 K CA 0.127 56.396 56.287 -0.031 0.000 1.008 425 K CB 0.479 32.972 32.500 -0.012 0.000 0.917 425 K HN -0.080 nan 8.250 nan 0.000 0.478 426 R N 3.874 124.355 120.500 -0.032 0.000 2.312 426 R HA 0.405 4.745 4.340 0.001 0.000 0.311 426 R C -0.687 175.611 176.300 -0.004 0.000 1.004 426 R CA -0.223 55.860 56.100 -0.028 0.000 0.902 426 R CB 0.868 31.140 30.300 -0.046 0.000 1.073 426 R HN 0.526 nan 8.270 nan 0.000 0.457 427 I N 3.282 123.869 120.570 0.029 0.000 2.411 427 I HA 0.220 4.391 4.170 0.001 0.000 0.284 427 I C -0.467 175.628 176.117 -0.037 0.000 1.012 427 I CA -1.089 60.212 61.300 0.002 0.000 1.119 427 I CB 1.886 39.873 38.000 -0.022 0.000 1.261 427 I HN 0.237 nan 8.210 nan 0.000 0.448 428 V N 6.897 126.747 119.914 -0.107 0.000 2.557 428 V HA -0.022 4.099 4.120 0.001 0.000 0.301 428 V C 0.669 176.573 176.094 -0.317 0.000 1.026 428 V CA 0.032 62.156 62.300 -0.295 0.000 1.137 428 V CB -0.377 31.100 31.823 -0.577 0.000 0.917 428 V HN 0.654 nan 8.190 nan 0.000 0.484 429 K N 3.232 123.488 120.400 -0.240 0.000 2.090 429 K HA 0.258 4.579 4.320 0.001 0.000 0.250 429 K C 0.565 177.096 176.600 -0.114 0.000 1.004 429 K CA -0.789 55.420 56.287 -0.129 0.000 0.919 429 K CB 0.652 33.134 32.500 -0.031 0.000 1.045 429 K HN 0.491 nan 8.250 nan 0.000 0.471 430 D N 0.662 121.082 120.400 0.033 0.000 2.190 430 D HA -0.191 4.450 4.640 0.001 0.000 0.200 430 D C 1.854 178.281 176.300 0.211 0.000 0.992 430 D CA 1.791 55.906 54.000 0.191 0.000 0.854 430 D CB -0.216 40.686 40.800 0.169 0.000 0.936 430 D HN 0.572 nan 8.370 nan 0.000 0.462 431 S N -0.375 115.401 115.700 0.128 0.000 2.368 431 S HA -0.102 4.369 4.470 0.001 0.000 0.225 431 S C 2.278 177.057 174.600 0.298 0.000 1.030 431 S CA 1.302 59.621 58.200 0.199 0.000 0.999 431 S CB -0.994 62.277 63.200 0.118 0.000 0.844 431 S HN 0.279 nan 8.310 nan 0.000 0.459 432 G N 0.357 109.216 108.800 0.099 0.000 2.421 432 G HA2 -0.113 3.848 3.960 0.001 0.000 0.216 432 G HA3 -0.113 3.848 3.960 0.001 0.000 0.216 432 G C 1.226 176.185 174.900 0.097 0.000 1.171 432 G CA 0.902 46.033 45.100 0.052 0.000 0.775 432 G HN 0.551 nan 8.290 nan 0.000 0.543 433 Y N -0.835 119.571 120.300 0.177 0.000 2.145 433 Y HA -0.045 4.505 4.550 0.001 0.000 0.286 433 Y C 2.469 178.456 175.900 0.145 0.000 1.145 433 Y CA 0.480 58.654 58.100 0.123 0.000 1.148 433 Y CB -0.951 37.568 38.460 0.098 0.000 0.981 433 Y HN 0.409 nan 8.280 nan 0.000 0.507 434 W N -0.475 120.950 121.300 0.208 0.000 2.338 434 W HA -0.334 4.327 4.660 0.001 0.000 0.304 434 W C 2.331 178.918 176.519 0.114 0.000 1.212 434 W CA 2.086 59.512 57.345 0.134 0.000 1.264 434 W CB -0.886 28.653 29.460 0.132 0.000 1.142 434 W HN 0.169 nan 8.180 nan 0.000 0.512 435 Y N 0.761 121.145 120.300 0.141 0.000 2.242 435 Y HA -0.147 4.404 4.550 0.001 0.000 0.291 435 Y C 2.807 178.540 175.900 -0.277 0.000 1.137 435 Y CA 2.031 60.048 58.100 -0.138 0.000 1.181 435 Y CB -1.176 37.393 38.460 0.181 0.000 0.989 435 Y HN -0.029 nan 8.280 nan 0.000 0.527 436 S N 0.048 115.665 115.700 -0.139 0.000 2.387 436 S HA -0.263 4.207 4.470 0.001 0.000 0.230 436 S C 2.004 176.404 174.600 -0.333 0.000 1.035 436 S CA 1.894 59.964 58.200 -0.217 0.000 1.014 436 S CB -0.551 62.642 63.200 -0.011 0.000 0.836 436 S HN 0.664 nan 8.310 nan 0.000 0.466 437 N N 0.456 118.952 118.700 -0.341 0.000 2.171 437 N HA -0.021 4.720 4.740 0.001 0.000 0.184 437 N C 1.581 176.763 175.510 -0.546 0.000 1.021 437 N CA 1.430 54.258 53.050 -0.369 0.000 0.854 437 N CB -0.447 37.860 38.487 -0.301 0.000 0.994 437 N HN 0.237 nan 8.380 nan 0.000 0.426 438 V N 0.089 119.515 119.914 -0.814 0.000 2.282 438 V HA -0.253 3.867 4.120 0.001 0.000 0.249 438 V C 2.293 177.728 176.094 -1.099 0.000 1.057 438 V CA 1.652 63.358 62.300 -0.990 0.000 1.032 438 V CB -0.689 30.386 31.823 -1.248 0.000 0.645 438 V HN 0.164 nan 8.190 nan 0.000 0.447 439 V N -0.333 118.911 119.914 -1.117 0.000 2.237 439 V HA -0.281 3.839 4.120 0.001 0.000 0.245 439 V C 2.602 178.376 176.094 -0.534 0.000 1.046 439 V CA 2.337 64.020 62.300 -1.029 0.000 1.007 439 V CB -0.882 30.515 31.823 -0.710 0.000 0.638 439 V HN 0.557 nan 8.190 nan 0.000 0.445 440 K N 0.600 120.773 120.400 -0.380 0.000 2.052 440 K HA -0.275 4.046 4.320 0.001 0.000 0.215 440 K C 1.809 178.294 176.600 -0.191 0.000 1.053 440 K CA 2.400 58.553 56.287 -0.223 0.000 0.934 440 K CB -0.981 31.405 32.500 -0.190 0.000 0.717 440 K HN 0.704 nan 8.250 nan 0.000 0.450 441 N N 0.772 119.320 118.700 -0.253 0.000 2.515 441 N HA -0.016 4.725 4.740 0.001 0.000 0.185 441 N C 0.556 175.991 175.510 -0.125 0.000 1.109 441 N CA 0.921 53.863 53.050 -0.180 0.000 0.903 441 N CB -0.595 37.767 38.487 -0.208 0.000 0.969 441 N HN 0.558 nan 8.380 nan 0.000 0.450 442 N N -0.107 118.490 118.700 -0.173 0.000 2.735 442 N HA -0.170 4.571 4.740 0.001 0.000 0.248 442 N C -0.020 175.586 175.510 0.160 0.000 1.083 442 N CA 1.154 54.249 53.050 0.074 0.000 0.703 442 N CB -1.153 37.482 38.487 0.246 0.000 1.005 442 N HN 0.532 nan 8.380 nan 0.000 0.550 443 G N -2.010 106.697 108.800 -0.156 0.000 2.352 443 G HA2 0.287 4.247 3.960 0.001 0.000 0.283 443 G HA3 0.287 4.247 3.960 0.001 0.000 0.283 443 G C -1.353 173.436 174.900 -0.185 0.000 1.308 443 G CA -0.495 44.618 45.100 0.021 0.000 0.892 443 G HN 0.263 nan 8.290 nan 0.000 0.504 444 L N 1.009 122.174 121.223 -0.098 0.000 2.334 444 L HA 0.606 4.947 4.340 0.001 0.000 0.277 444 L C 0.757 177.543 176.870 -0.141 0.000 1.075 444 L CA -0.751 54.009 54.840 -0.134 0.000 0.804 444 L CB 1.479 43.502 42.059 -0.059 0.000 1.174 444 L HN 0.903 nan 8.230 nan 0.000 0.438 445 E N 0.000 120.133 120.200 -0.111 0.000 2.725 445 E HA 0.000 4.350 4.350 0.001 0.000 0.291 445 E CA 0.000 56.345 56.400 -0.092 0.000 0.976 445 E CB 0.000 29.647 29.700 -0.089 0.000 0.812 445 E HN 0.000 nan 8.360 nan 0.000 0.440