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 2ht2_1_A DATA FIRST_RESID 17 DATA SEQUENCE RRRQLIRQLL ERDKTPLAIL FMAAVVGTLV GLAAVAFDKG VAWLQNQRMG DATA SEQUENCE ALVHTADNYP LLLTVAFLCS AVLAMFGYFL VRKYAPEAGG SGIPEIEGAL DATA SEQUENCE EDQRPVRWWR VLPVKFFGGL GTLGGGMVLG REGPTVQIGG NIGRMVLDIF DATA SEQUENCE RLKGDEARHT LLATGAAAGL AAAFNAPLAG ILFIIEEMRP QFRYTLISIK DATA SEQUENCE AVFIGVIMST IMYRIFNHEV ALIDVGKLSD APLNTLWLYL ILGIIFGIFG DATA SEQUENCE PIFNKWVLGM QDLLHRVHGG NITKWVLMGG AIGGLCGLLG FVAPATSGGG DATA SEQUENCE FNLIPIATAG NFSMGMLVFI FVARVITTLL CFSSGAPGGI FAPMLALGTV DATA SEQUENCE LGTAFGMVAV ELFPQYHLEA GTFAIAGMGA LLAASIRAPL TGIILVLEMT DATA SEQUENCE DNYQLILPMI ITGLGATLLA QFTGGKPLHS AILARTLAKQ EAEQ 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 17 R HA 0.000 nan 4.340 nan 0.000 0.208 17 R C 0.000 176.292 176.300 -0.013 0.000 0.893 17 R CA 0.000 56.093 56.100 -0.011 0.000 0.921 17 R CB 0.000 30.291 30.300 -0.015 0.000 0.687 18 R N 2.183 122.676 120.500 -0.010 0.000 2.096 18 R HA -0.035 4.302 4.340 -0.005 0.000 0.235 18 R C 1.292 177.587 176.300 -0.010 0.000 1.127 18 R CA 1.912 58.006 56.100 -0.010 0.000 0.968 18 R CB 0.058 30.354 30.300 -0.008 0.000 0.861 18 R HN 0.215 nan 8.270 nan 0.000 0.440 19 R N 0.054 120.549 120.500 -0.008 0.000 2.091 19 R HA -0.165 4.171 4.340 -0.005 0.000 0.238 19 R C 2.457 178.752 176.300 -0.008 0.000 1.136 19 R CA 1.795 57.891 56.100 -0.007 0.000 0.959 19 R CB -0.441 29.856 30.300 -0.005 0.000 0.856 19 R HN 0.355 nan 8.270 nan 0.000 0.437 20 Q N 0.690 120.484 119.800 -0.009 0.000 2.079 20 Q HA -0.155 4.181 4.340 -0.005 0.000 0.200 20 Q C 2.112 178.103 176.000 -0.014 0.000 0.974 20 Q CA 1.217 57.014 55.803 -0.011 0.000 0.840 20 Q CB -0.006 28.725 28.738 -0.012 0.000 0.898 20 Q HN 0.264 nan 8.270 nan 0.000 0.430 21 L N 0.709 121.922 121.223 -0.017 0.000 2.042 21 L HA -0.221 4.115 4.340 -0.005 0.000 0.210 21 L C 2.143 179.003 176.870 -0.016 0.000 1.076 21 L CA 1.221 56.048 54.840 -0.021 0.000 0.749 21 L CB -0.346 41.700 42.059 -0.022 0.000 0.893 21 L HN 0.298 nan 8.230 nan 0.000 0.432 22 I N -0.370 120.193 120.570 -0.012 0.000 2.361 22 I HA -0.238 3.929 4.170 -0.005 0.000 0.251 22 I C 2.622 178.735 176.117 -0.007 0.000 1.133 22 I CA 1.229 62.524 61.300 -0.009 0.000 1.413 22 I CB -1.263 36.732 38.000 -0.007 0.000 1.073 22 I HN 0.393 nan 8.210 nan 0.000 0.424 23 R N 1.318 121.813 120.500 -0.007 0.000 2.092 23 R HA -0.135 4.201 4.340 -0.005 0.000 0.231 23 R C 2.052 178.349 176.300 -0.004 0.000 1.119 23 R CA 1.440 57.537 56.100 -0.005 0.000 0.970 23 R CB -0.384 29.914 30.300 -0.004 0.000 0.864 23 R HN 0.388 nan 8.270 nan 0.000 0.440 24 Q N 0.095 119.890 119.800 -0.009 0.000 2.020 24 Q HA -0.014 4.322 4.340 -0.005 0.000 0.198 24 Q C 2.226 178.222 176.000 -0.007 0.000 0.974 24 Q CA 1.604 57.401 55.803 -0.009 0.000 0.829 24 Q CB -0.144 28.581 28.738 -0.022 0.000 0.894 24 Q HN 0.316 nan 8.270 nan 0.000 0.433 25 L N 0.577 121.794 121.223 -0.010 0.000 2.051 25 L HA -0.250 4.087 4.340 -0.005 0.000 0.214 25 L C 2.177 179.045 176.870 -0.003 0.000 1.076 25 L CA 1.126 55.961 54.840 -0.008 0.000 0.758 25 L CB -0.365 41.689 42.059 -0.009 0.000 0.890 25 L HN 0.279 nan 8.230 nan 0.000 0.433 26 L N -1.011 120.210 121.223 -0.003 0.000 2.478 26 L HA -0.082 4.254 4.340 -0.005 0.000 0.223 26 L C 1.801 178.672 176.870 0.001 0.000 1.140 26 L CA 0.434 55.273 54.840 -0.001 0.000 0.842 26 L CB -0.160 41.898 42.059 -0.002 0.000 0.953 26 L HN 0.188 nan 8.230 nan 0.000 0.452 27 E N -0.235 119.967 120.200 0.003 0.000 2.501 27 E HA 0.117 4.464 4.350 -0.005 0.000 0.201 27 E C 0.367 176.974 176.600 0.012 0.000 1.016 27 E CA -0.081 56.324 56.400 0.008 0.000 0.920 27 E CB 0.322 30.028 29.700 0.009 0.000 1.023 27 E HN 0.288 nan 8.360 nan 0.000 0.474 28 R N 1.519 122.025 120.500 0.010 0.000 2.643 28 R HA -0.032 4.305 4.340 -0.005 0.000 0.270 28 R C -0.256 176.054 176.300 0.016 0.000 1.061 28 R CA 0.302 56.411 56.100 0.016 0.000 1.107 28 R CB 0.243 30.549 30.300 0.011 0.000 0.999 28 R HN -0.126 nan 8.270 nan 0.000 0.460 29 D N 1.521 121.936 120.400 0.024 0.000 2.716 29 D HA -0.158 4.479 4.640 -0.005 0.000 0.239 29 D C -1.382 174.928 176.300 0.017 0.000 1.125 29 D CA 1.251 55.264 54.000 0.021 0.000 0.681 29 D CB -0.461 40.346 40.800 0.012 0.000 1.070 29 D HN 0.435 nan 8.370 nan 0.000 0.432 30 K N 0.792 121.205 120.400 0.022 0.000 2.572 30 K HA 0.383 4.700 4.320 -0.005 0.000 0.244 30 K C -0.828 175.786 176.600 0.023 0.000 0.965 30 K CA -0.606 55.691 56.287 0.018 0.000 0.943 30 K CB 1.473 33.982 32.500 0.015 0.000 1.154 30 K HN 0.005 nan 8.250 nan 0.000 0.447 31 T N 3.544 118.111 114.554 0.022 0.000 2.758 31 T HA 0.287 4.633 4.350 -0.005 0.000 0.285 31 T C -2.338 172.375 174.700 0.022 0.000 0.981 31 T CA -1.817 60.297 62.100 0.025 0.000 0.965 31 T CB 0.982 69.867 68.868 0.027 0.000 0.927 31 T HN 0.313 nan 8.240 nan 0.000 0.448 32 P HA -0.006 nan 4.420 nan 0.000 0.258 32 P C 1.138 178.451 177.300 0.023 0.000 1.172 32 P CA -0.159 62.952 63.100 0.019 0.000 0.762 32 P CB 0.631 32.342 31.700 0.018 0.000 0.764 33 L N 2.649 123.883 121.223 0.019 0.000 2.283 33 L HA -0.317 4.019 4.340 -0.005 0.000 0.217 33 L C 2.000 178.897 176.870 0.045 0.000 1.104 33 L CA 2.028 56.883 54.840 0.026 0.000 0.772 33 L CB -0.394 41.667 42.059 0.003 0.000 0.899 33 L HN 0.440 nan 8.230 nan 0.000 0.439 34 A N -0.217 122.622 122.820 0.033 0.000 1.897 34 A HA -0.154 4.163 4.320 -0.005 0.000 0.215 34 A C 2.090 179.708 177.584 0.057 0.000 1.181 34 A CA 1.230 53.294 52.037 0.045 0.000 0.620 34 A CB -0.400 18.617 19.000 0.028 0.000 0.821 34 A HN 0.436 nan 8.150 nan 0.000 0.443 35 I N -0.092 120.498 120.570 0.033 0.000 2.202 35 I HA -0.231 3.936 4.170 -0.005 0.000 0.242 35 I C 2.344 178.472 176.117 0.018 0.000 1.091 35 I CA 0.983 62.291 61.300 0.013 0.000 1.368 35 I CB -0.305 37.701 38.000 0.009 0.000 1.058 35 I HN 0.310 nan 8.210 nan 0.000 0.410 36 L N -0.241 121.007 121.223 0.041 0.000 2.021 36 L HA -0.297 4.040 4.340 -0.005 0.000 0.215 36 L C 2.633 179.535 176.870 0.052 0.000 1.074 36 L CA 1.693 56.559 54.840 0.044 0.000 0.760 36 L CB -0.860 41.233 42.059 0.057 0.000 0.889 36 L HN 0.220 nan 8.230 nan 0.000 0.433 37 F N 0.187 120.102 119.950 -0.058 0.000 2.134 37 F HA -0.233 4.291 4.527 -0.005 0.000 0.299 37 F C 2.573 178.302 175.800 -0.118 0.000 1.097 37 F CA 1.433 59.388 58.000 -0.076 0.000 1.264 37 F CB -0.098 38.857 39.000 -0.076 0.000 1.001 37 F HN -0.033 nan 8.300 nan 0.000 0.479 38 M N 0.226 119.772 119.600 -0.090 0.000 2.279 38 M HA -0.103 4.374 4.480 -0.005 0.000 0.264 38 M C 2.429 178.576 176.300 -0.255 0.000 1.062 38 M CA 1.411 56.556 55.300 -0.258 0.000 1.099 38 M CB -2.014 30.466 32.600 -0.200 0.000 1.394 38 M HN 0.303 nan 8.290 nan 0.000 0.426 39 A N -0.164 122.556 122.820 -0.167 0.000 2.015 39 A HA 0.106 4.423 4.320 -0.005 0.000 0.219 39 A C 2.409 179.892 177.584 -0.168 0.000 1.163 39 A CA 1.621 53.578 52.037 -0.133 0.000 0.646 39 A CB -0.659 18.302 19.000 -0.066 0.000 0.806 39 A HN 0.454 nan 8.150 nan 0.000 0.448 40 A N -0.720 121.954 122.820 -0.243 0.000 1.898 40 A HA 0.040 4.356 4.320 -0.005 0.000 0.216 40 A C 2.224 179.631 177.584 -0.294 0.000 1.181 40 A CA 1.586 53.465 52.037 -0.262 0.000 0.620 40 A CB -0.827 17.969 19.000 -0.340 0.000 0.819 40 A HN 0.335 nan 8.150 nan 0.000 0.442 41 V N -0.175 119.494 119.914 -0.408 0.000 2.295 41 V HA -0.219 3.897 4.120 -0.005 0.000 0.246 41 V C 2.623 178.588 176.094 -0.215 0.000 1.049 41 V CA 2.113 64.210 62.300 -0.338 0.000 1.024 41 V CB -0.412 31.157 31.823 -0.424 0.000 0.648 41 V HN 0.387 nan 8.190 nan 0.000 0.447 42 V N 0.566 120.358 119.914 -0.204 0.000 2.332 42 V HA -0.188 3.929 4.120 -0.005 0.000 0.248 42 V C 2.570 178.593 176.094 -0.118 0.000 1.055 42 V CA 2.142 64.351 62.300 -0.153 0.000 1.038 42 V CB -1.515 30.224 31.823 -0.140 0.000 0.651 42 V HN 0.610 nan 8.190 nan 0.000 0.450 43 G N -0.374 108.360 108.800 -0.109 0.000 2.414 43 G HA2 -0.234 3.722 3.960 -0.005 0.000 0.215 43 G HA3 -0.234 3.722 3.960 -0.005 0.000 0.215 43 G C 1.689 176.552 174.900 -0.061 0.000 1.188 43 G CA 1.447 46.502 45.100 -0.075 0.000 0.783 43 G HN 0.432 nan 8.290 nan 0.000 0.537 44 T N 1.504 116.014 114.554 -0.074 0.000 2.653 44 T HA -0.129 4.218 4.350 -0.005 0.000 0.268 44 T C 2.367 177.042 174.700 -0.043 0.000 1.035 44 T CA 1.207 63.277 62.100 -0.050 0.000 1.154 44 T CB -0.243 68.581 68.868 -0.072 0.000 0.862 44 T HN 0.116 nan 8.240 nan 0.000 0.441 45 L N 0.462 121.641 121.223 -0.072 0.000 2.056 45 L HA -0.050 4.287 4.340 -0.005 0.000 0.207 45 L C 2.695 179.521 176.870 -0.072 0.000 1.078 45 L CA 1.003 55.799 54.840 -0.074 0.000 0.749 45 L CB -0.729 41.273 42.059 -0.096 0.000 0.901 45 L HN 0.180 nan 8.230 nan 0.000 0.433 46 V N 0.343 120.212 119.914 -0.075 0.000 2.407 46 V HA -0.194 3.923 4.120 -0.005 0.000 0.248 46 V C 2.653 178.724 176.094 -0.039 0.000 1.055 46 V CA 1.860 64.117 62.300 -0.072 0.000 1.049 46 V CB -1.279 30.496 31.823 -0.080 0.000 0.662 46 V HN 0.561 nan 8.190 nan 0.000 0.455 47 G N 0.240 109.033 108.800 -0.013 0.000 2.511 47 G HA2 -0.244 3.713 3.960 -0.005 0.000 0.216 47 G HA3 -0.244 3.713 3.960 -0.005 0.000 0.216 47 G C 1.557 176.490 174.900 0.055 0.000 1.218 47 G CA 1.225 46.351 45.100 0.044 0.000 0.788 47 G HN 0.452 nan 8.290 nan 0.000 0.560 48 L N 0.830 122.068 121.223 0.026 0.000 2.013 48 L HA -0.159 4.178 4.340 -0.005 0.000 0.212 48 L C 3.481 180.321 176.870 -0.050 0.000 1.073 48 L CA 1.248 56.076 54.840 -0.020 0.000 0.753 48 L CB -0.648 41.389 42.059 -0.035 0.000 0.890 48 L HN 0.333 nan 8.230 nan 0.000 0.432 49 A N 0.220 123.007 122.820 -0.055 0.000 1.873 49 A HA -0.254 4.062 4.320 -0.005 0.000 0.218 49 A C 2.540 180.160 177.584 0.061 0.000 1.193 49 A CA 2.163 54.164 52.037 -0.060 0.000 0.629 49 A CB -0.900 18.034 19.000 -0.110 0.000 0.826 49 A HN 0.432 nan 8.150 nan 0.000 0.447 50 A N -0.947 121.899 122.820 0.043 0.000 1.972 50 A HA 0.031 4.348 4.320 -0.005 0.000 0.219 50 A C 2.249 179.942 177.584 0.182 0.000 1.169 50 A CA 1.791 53.883 52.037 0.091 0.000 0.635 50 A CB -0.820 18.196 19.000 0.027 0.000 0.810 50 A HN 0.387 nan 8.150 nan 0.000 0.446 51 V N -0.318 119.669 119.914 0.122 0.000 2.270 51 V HA -0.213 3.903 4.120 -0.005 0.000 0.245 51 V C 3.082 179.182 176.094 0.010 0.000 1.043 51 V CA 1.873 64.212 62.300 0.065 0.000 1.014 51 V CB -1.195 30.579 31.823 -0.080 0.000 0.645 51 V HN 0.611 nan 8.190 nan 0.000 0.447 52 A N -0.478 122.332 122.820 -0.015 0.000 1.917 52 A HA -0.302 4.014 4.320 -0.005 0.000 0.219 52 A C 2.130 179.803 177.584 0.148 0.000 1.182 52 A CA 2.347 54.397 52.037 0.022 0.000 0.633 52 A CB -0.844 18.178 19.000 0.036 0.000 0.819 52 A HN 0.547 nan 8.150 nan 0.000 0.448 53 F N 0.954 120.987 119.950 0.138 0.000 2.126 53 F HA -0.206 4.318 4.527 -0.006 0.000 0.299 53 F C 1.966 177.736 175.800 -0.051 0.000 1.096 53 F CA 2.185 60.193 58.000 0.012 0.000 1.255 53 F CB -0.204 38.822 39.000 0.042 0.000 0.997 53 F HN 0.322 nan 8.300 nan 0.000 0.479 54 D N 0.220 120.704 120.400 0.140 0.000 2.117 54 D HA -0.161 4.475 4.640 -0.005 0.000 0.197 54 D C 2.066 178.351 176.300 -0.025 0.000 0.987 54 D CA 1.108 55.150 54.000 0.069 0.000 0.829 54 D CB -0.066 40.838 40.800 0.174 0.000 0.961 54 D HN 0.173 nan 8.370 nan 0.000 0.460 55 K N 0.069 120.449 120.400 -0.033 0.000 2.057 55 K HA -0.061 4.256 4.320 -0.005 0.000 0.207 55 K C 2.171 178.744 176.600 -0.045 0.000 1.049 55 K CA 1.151 57.415 56.287 -0.039 0.000 0.931 55 K CB -0.841 31.611 32.500 -0.081 0.000 0.714 55 K HN 0.232 nan 8.250 nan 0.000 0.440 56 G N 1.294 110.009 108.800 -0.140 0.000 2.433 56 G HA2 -0.207 3.750 3.960 -0.005 0.000 0.216 56 G HA3 -0.207 3.750 3.960 -0.005 0.000 0.216 56 G C 1.683 176.528 174.900 -0.091 0.000 1.186 56 G CA 1.033 46.038 45.100 -0.158 0.000 0.779 56 G HN 0.132 nan 8.290 nan 0.000 0.543 57 V N 1.693 121.452 119.914 -0.259 0.000 2.469 57 V HA -0.136 3.981 4.120 -0.005 0.000 0.251 57 V C 3.244 179.331 176.094 -0.012 0.000 1.064 57 V CA 1.855 64.048 62.300 -0.179 0.000 1.066 57 V CB -1.000 30.672 31.823 -0.252 0.000 0.667 57 V HN 0.502 nan 8.190 nan 0.000 0.461 58 A N -0.473 122.366 122.820 0.032 0.000 1.845 58 A HA -0.268 4.049 4.320 -0.005 0.000 0.215 58 A C 1.935 179.605 177.584 0.144 0.000 1.195 58 A CA 1.915 54.004 52.037 0.088 0.000 0.616 58 A CB -1.021 18.036 19.000 0.096 0.000 0.832 58 A HN 0.649 nan 8.150 nan 0.000 0.443 59 W N 0.652 121.931 121.300 -0.035 0.000 2.302 59 W HA -0.237 4.421 4.660 -0.005 0.000 0.320 59 W C 1.912 178.423 176.519 -0.014 0.000 1.241 59 W CA 2.312 59.645 57.345 -0.020 0.000 1.264 59 W CB -0.473 28.972 29.460 -0.026 0.000 1.154 59 W HN 0.278 nan 8.180 nan 0.000 0.483 60 L N -0.137 121.234 121.223 0.247 0.000 2.191 60 L HA -0.242 4.094 4.340 -0.005 0.000 0.212 60 L C 2.327 179.176 176.870 -0.035 0.000 1.103 60 L CA 1.390 56.271 54.840 0.068 0.000 0.769 60 L CB -0.767 41.372 42.059 0.134 0.000 0.908 60 L HN 0.127 nan 8.230 nan 0.000 0.438 61 Q N -0.964 118.832 119.800 -0.007 0.000 2.425 61 Q HA -0.068 4.269 4.340 -0.005 0.000 0.204 61 Q C 1.835 177.815 176.000 -0.034 0.000 0.933 61 Q CA 0.250 56.049 55.803 -0.007 0.000 0.939 61 Q CB 0.161 28.913 28.738 0.024 0.000 1.044 61 Q HN 0.498 nan 8.270 nan 0.000 0.513 62 N N -0.438 118.210 118.700 -0.085 0.000 2.305 62 N HA -0.133 4.604 4.740 -0.005 0.000 0.179 62 N C 1.438 176.836 175.510 -0.186 0.000 1.019 62 N CA 0.478 53.457 53.050 -0.118 0.000 0.869 62 N CB 0.370 38.782 38.487 -0.124 0.000 1.000 62 N HN 0.129 nan 8.380 nan 0.000 0.431 63 Q N 1.195 120.804 119.800 -0.319 0.000 2.084 63 Q HA -0.061 4.275 4.340 -0.005 0.000 0.202 63 Q C 2.009 177.916 176.000 -0.155 0.000 0.978 63 Q CA 1.131 56.744 55.803 -0.317 0.000 0.844 63 Q CB -0.423 28.042 28.738 -0.455 0.000 0.898 63 Q HN 0.434 nan 8.270 nan 0.000 0.426 64 R N -0.218 120.217 120.500 -0.108 0.000 2.120 64 R HA -0.054 4.282 4.340 -0.005 0.000 0.234 64 R C 2.005 178.308 176.300 0.005 0.000 1.123 64 R CA 1.263 57.340 56.100 -0.037 0.000 0.975 64 R CB -0.234 30.062 30.300 -0.007 0.000 0.866 64 R HN 0.161 nan 8.270 nan 0.000 0.446 65 M N -0.314 119.286 119.600 0.000 0.000 2.556 65 M HA 0.128 4.605 4.480 -0.005 0.000 0.245 65 M C 1.521 177.841 176.300 0.033 0.000 1.128 65 M CA 0.815 56.138 55.300 0.039 0.000 1.069 65 M CB 0.677 33.294 32.600 0.028 0.000 1.469 65 M HN 0.099 nan 8.290 nan 0.000 0.494 66 G N -1.082 107.716 108.800 -0.004 0.000 2.608 66 G HA2 0.181 4.137 3.960 -0.005 0.000 0.210 66 G HA3 0.181 4.137 3.960 -0.005 0.000 0.210 66 G C 1.288 176.217 174.900 0.048 0.000 1.139 66 G CA 0.378 45.483 45.100 0.009 0.000 0.812 66 G HN 0.513 nan 8.290 nan 0.000 0.529 67 A N 0.014 122.844 122.820 0.017 0.000 2.235 67 A HA 0.444 4.761 4.320 -0.005 0.000 0.208 67 A C 1.911 179.526 177.584 0.052 0.000 1.172 67 A CA 0.259 52.305 52.037 0.015 0.000 0.786 67 A CB -0.169 18.792 19.000 -0.065 0.000 0.804 67 A HN 0.338 nan 8.150 nan 0.000 0.479 68 L N -1.338 119.936 121.223 0.084 0.000 2.616 68 L HA 0.093 4.429 4.340 -0.005 0.000 0.229 68 L C 1.729 178.686 176.870 0.144 0.000 1.110 68 L CA 0.140 55.048 54.840 0.114 0.000 0.884 68 L CB 0.564 42.737 42.059 0.190 0.000 1.115 68 L HN 0.241 nan 8.230 nan 0.000 0.481 69 V N -1.420 118.572 119.914 0.130 0.000 2.825 69 V HA -0.172 3.945 4.120 -0.005 0.000 0.246 69 V C 2.094 178.260 176.094 0.120 0.000 1.068 69 V CA 1.019 63.387 62.300 0.112 0.000 1.088 69 V CB -0.085 31.784 31.823 0.076 0.000 0.733 69 V HN 0.471 nan 8.190 nan 0.000 0.468 70 H N 1.250 120.333 119.070 0.022 0.000 2.290 70 H HA -0.122 4.430 4.556 -0.006 0.000 0.298 70 H C 1.463 176.800 175.328 0.015 0.000 1.087 70 H CA 1.746 57.801 56.048 0.012 0.000 1.291 70 H CB 0.163 29.925 29.762 -0.000 0.000 1.369 70 H HN 0.534 nan 8.280 nan 0.000 0.492 71 T N -1.618 113.056 114.554 0.200 0.000 3.471 71 T HA 0.578 4.925 4.350 -0.005 0.000 0.355 71 T C 1.022 175.777 174.700 0.092 0.000 1.775 71 T CA -0.110 62.059 62.100 0.116 0.000 1.305 71 T CB 0.894 69.795 68.868 0.055 0.000 1.171 71 T HN 0.444 nan 8.240 nan 0.000 0.776 72 A N 3.035 125.912 122.820 0.095 0.000 1.873 72 A HA 0.051 4.368 4.320 -0.005 0.000 0.215 72 A C 1.584 179.233 177.584 0.109 0.000 1.186 72 A CA 1.099 53.198 52.037 0.102 0.000 0.616 72 A CB -0.327 18.721 19.000 0.079 0.000 0.823 72 A HN 0.804 nan 8.150 nan 0.000 0.442 73 D N -0.894 119.557 120.400 0.085 0.000 2.261 73 D HA -0.017 4.620 4.640 -0.005 0.000 0.289 73 D C 0.361 176.719 176.300 0.096 0.000 1.162 73 D CA -0.405 53.649 54.000 0.090 0.000 1.089 73 D CB -1.179 39.658 40.800 0.063 0.000 1.162 73 D HN 0.353 nan 8.370 nan 0.000 0.521 74 N N -0.431 118.319 118.700 0.083 0.000 2.724 74 N HA -0.314 4.423 4.740 -0.005 0.000 0.293 74 N C 0.197 175.768 175.510 0.102 0.000 1.090 74 N CA -0.176 52.922 53.050 0.079 0.000 0.793 74 N CB -0.523 37.987 38.487 0.039 0.000 0.958 74 N HN 0.365 nan 8.380 nan 0.000 0.575 75 Y N 3.007 123.306 120.300 -0.002 0.000 1.997 75 Y HA -0.224 4.323 4.550 -0.004 0.000 0.265 75 Y C -0.916 174.951 175.900 -0.054 0.000 1.193 75 Y CA 2.372 60.462 58.100 -0.016 0.000 1.106 75 Y CB -1.199 37.266 38.460 0.008 0.000 0.940 75 Y HN 0.497 nan 8.280 nan 0.000 0.494 76 P HA -0.161 nan 4.420 nan 0.000 0.223 76 P C 1.616 178.812 177.300 -0.174 0.000 1.144 76 P CA 1.508 64.501 63.100 -0.178 0.000 0.783 76 P CB -0.178 31.490 31.700 -0.052 0.000 0.771 77 L N -0.711 120.443 121.223 -0.115 0.000 2.179 77 L HA 0.004 4.340 4.340 -0.005 0.000 0.208 77 L C 1.885 178.674 176.870 -0.135 0.000 1.096 77 L CA 1.366 56.147 54.840 -0.098 0.000 0.779 77 L CB -1.261 40.771 42.059 -0.045 0.000 0.922 77 L HN -0.077 nan 8.230 nan 0.000 0.443 78 L N -1.574 119.541 121.223 -0.180 0.000 2.095 78 L HA -0.037 4.300 4.340 -0.005 0.000 0.204 78 L C 2.105 178.752 176.870 -0.373 0.000 1.080 78 L CA 1.172 55.870 54.840 -0.237 0.000 0.759 78 L CB -0.429 41.506 42.059 -0.207 0.000 0.914 78 L HN 0.226 nan 8.230 nan 0.000 0.439 79 L N 0.239 121.169 121.223 -0.488 0.000 2.450 79 L HA -0.130 4.206 4.340 -0.005 0.000 0.224 79 L C 2.146 178.867 176.870 -0.248 0.000 1.149 79 L CA 1.297 55.851 54.840 -0.477 0.000 0.816 79 L CB -0.811 40.917 42.059 -0.553 0.000 0.932 79 L HN 0.436 nan 8.230 nan 0.000 0.449 80 T N -0.850 113.580 114.554 -0.206 0.000 2.983 80 T HA -0.057 4.290 4.350 -0.005 0.000 0.250 80 T C 1.741 176.411 174.700 -0.050 0.000 1.037 80 T CA 1.072 63.096 62.100 -0.127 0.000 1.142 80 T CB 0.036 68.824 68.868 -0.133 0.000 0.876 80 T HN 0.305 nan 8.240 nan 0.000 0.455 81 V N 0.182 120.050 119.914 -0.076 0.000 3.510 81 V HA 0.366 4.483 4.120 -0.005 0.000 0.270 81 V C 2.087 178.169 176.094 -0.021 0.000 1.201 81 V CA 0.796 63.072 62.300 -0.041 0.000 1.166 81 V CB -1.381 30.408 31.823 -0.056 0.000 0.825 81 V HN 0.388 nan 8.190 nan 0.000 0.484 82 A N 0.510 123.309 122.820 -0.035 0.000 1.859 82 A HA 0.127 4.444 4.320 -0.005 0.000 0.212 82 A C 1.885 179.508 177.584 0.065 0.000 1.238 82 A CA 1.122 53.155 52.037 -0.007 0.000 0.613 82 A CB -0.845 18.106 19.000 -0.082 0.000 0.904 82 A HN 0.505 nan 8.150 nan 0.000 0.457 83 F N 0.874 120.783 119.950 -0.069 0.000 2.043 83 F HA -0.225 4.299 4.527 -0.006 0.000 0.297 83 F C 1.931 177.717 175.800 -0.023 0.000 1.118 83 F CA 2.038 60.016 58.000 -0.038 0.000 1.202 83 F CB -0.580 38.388 39.000 -0.053 0.000 0.965 83 F HN 0.143 nan 8.300 nan 0.000 0.482 84 L N -0.901 120.575 121.223 0.422 0.000 2.187 84 L HA -0.314 4.023 4.340 -0.005 0.000 0.213 84 L C 2.481 179.412 176.870 0.101 0.000 1.100 84 L CA 1.173 56.174 54.840 0.268 0.000 0.765 84 L CB -0.583 41.559 42.059 0.137 0.000 0.904 84 L HN 0.391 nan 8.230 nan 0.000 0.437 85 C N -1.885 117.448 119.300 0.054 0.000 2.486 85 C HA -0.066 4.390 4.460 -0.005 0.000 0.279 85 C C 2.969 177.964 174.990 0.009 0.000 1.302 85 C CA 0.903 59.933 59.018 0.019 0.000 1.720 85 C CB -0.371 27.372 27.740 0.006 0.000 2.030 85 C HN 0.488 nan 8.230 nan 0.000 0.490 86 S N 1.151 116.836 115.700 -0.026 0.000 2.387 86 S HA -0.035 4.432 4.470 -0.005 0.000 0.226 86 S C 2.149 176.716 174.600 -0.056 0.000 1.026 86 S CA 1.122 59.298 58.200 -0.041 0.000 0.972 86 S CB -0.422 62.728 63.200 -0.083 0.000 0.814 86 S HN 0.681 nan 8.310 nan 0.000 0.477 87 A N 1.169 123.911 122.820 -0.131 0.000 1.908 87 A HA -0.053 4.263 4.320 -0.005 0.000 0.218 87 A C 2.290 179.887 177.584 0.022 0.000 1.181 87 A CA 1.443 53.415 52.037 -0.108 0.000 0.627 87 A CB -0.838 18.100 19.000 -0.105 0.000 0.818 87 A HN 0.347 nan 8.150 nan 0.000 0.445 88 V N -0.265 119.678 119.914 0.047 0.000 2.548 88 V HA -0.168 3.949 4.120 -0.005 0.000 0.249 88 V C 2.460 178.634 176.094 0.133 0.000 1.055 88 V CA 1.670 64.013 62.300 0.073 0.000 1.065 88 V CB -0.467 31.383 31.823 0.044 0.000 0.681 88 V HN 0.554 nan 8.190 nan 0.000 0.462 89 L N -0.439 120.866 121.223 0.138 0.000 2.095 89 L HA -0.004 4.333 4.340 -0.005 0.000 0.204 89 L C 2.717 179.727 176.870 0.232 0.000 1.080 89 L CA 1.193 56.169 54.840 0.227 0.000 0.759 89 L CB -0.734 41.424 42.059 0.165 0.000 0.914 89 L HN 0.328 nan 8.230 nan 0.000 0.439 90 A N 0.276 123.201 122.820 0.175 0.000 1.865 90 A HA -0.274 4.043 4.320 -0.005 0.000 0.217 90 A C 2.321 180.120 177.584 0.357 0.000 1.191 90 A CA 1.969 54.157 52.037 0.252 0.000 0.623 90 A CB -0.559 18.574 19.000 0.221 0.000 0.826 90 A HN 0.303 nan 8.150 nan 0.000 0.444 91 M N -1.791 117.955 119.600 0.243 0.000 2.073 91 M HA -0.160 4.316 4.480 -0.005 0.000 0.258 91 M C 2.247 178.747 176.300 0.334 0.000 1.070 91 M CA 2.301 57.742 55.300 0.236 0.000 1.103 91 M CB -0.656 32.022 32.600 0.131 0.000 1.321 91 M HN 0.596 nan 8.290 nan 0.000 0.405 92 F N 0.842 120.884 119.950 0.153 0.000 2.236 92 F HA -0.199 4.324 4.527 -0.006 0.000 0.302 92 F C 1.921 177.845 175.800 0.207 0.000 1.073 92 F CA 1.321 59.424 58.000 0.173 0.000 1.336 92 F CB -0.248 38.816 39.000 0.108 0.000 1.040 92 F HN 0.097 nan 8.300 nan 0.000 0.507 93 G N -0.494 108.288 108.800 -0.030 0.000 2.454 93 G HA2 -0.261 3.695 3.960 -0.005 0.000 0.214 93 G HA3 -0.261 3.695 3.960 -0.005 0.000 0.214 93 G C 1.127 175.958 174.900 -0.115 0.000 1.217 93 G CA 0.779 45.738 45.100 -0.235 0.000 0.799 93 G HN 0.425 nan 8.290 nan 0.000 0.538 94 Y N 0.045 120.304 120.300 -0.069 0.000 2.193 94 Y HA -0.135 4.412 4.550 -0.006 0.000 0.285 94 Y C 2.374 178.225 175.900 -0.081 0.000 1.166 94 Y CA 1.432 59.460 58.100 -0.119 0.000 1.181 94 Y CB -0.681 37.734 38.460 -0.075 0.000 0.976 94 Y HN 0.263 nan 8.280 nan 0.000 0.520 95 F N -0.231 119.765 119.950 0.077 0.000 2.051 95 F HA -0.244 4.279 4.527 -0.006 0.000 0.296 95 F C 2.185 178.013 175.800 0.047 0.000 1.122 95 F CA 1.215 59.255 58.000 0.066 0.000 1.201 95 F CB -0.457 38.625 39.000 0.136 0.000 0.978 95 F HN -0.093 nan 8.300 nan 0.000 0.472 96 L N 0.260 121.423 121.223 -0.099 0.000 2.263 96 L HA -0.208 4.129 4.340 -0.005 0.000 0.216 96 L C 2.121 178.877 176.870 -0.189 0.000 1.111 96 L CA 1.133 55.840 54.840 -0.223 0.000 0.773 96 L CB -1.009 40.886 42.059 -0.272 0.000 0.906 96 L HN 0.204 nan 8.230 nan 0.000 0.439 97 V N -0.725 119.062 119.914 -0.211 0.000 2.278 97 V HA -0.132 3.985 4.120 -0.005 0.000 0.238 97 V C 2.545 178.490 176.094 -0.247 0.000 1.039 97 V CA 0.885 63.047 62.300 -0.230 0.000 1.017 97 V CB -0.400 31.239 31.823 -0.306 0.000 0.657 97 V HN 0.340 nan 8.190 nan 0.000 0.462 98 R N 0.536 120.856 120.500 -0.301 0.000 2.139 98 R HA -0.199 4.138 4.340 -0.005 0.000 0.243 98 R C 2.113 178.267 176.300 -0.243 0.000 1.145 98 R CA 1.514 57.434 56.100 -0.300 0.000 0.976 98 R CB -0.543 29.578 30.300 -0.299 0.000 0.866 98 R HN 0.382 nan 8.270 nan 0.000 0.449 99 K N -0.014 120.201 120.400 -0.308 0.000 2.005 99 K HA -0.048 4.269 4.320 -0.005 0.000 0.206 99 K C 1.856 178.201 176.600 -0.424 0.000 1.044 99 K CA 1.299 57.345 56.287 -0.401 0.000 0.942 99 K CB -0.212 31.891 32.500 -0.663 0.000 0.727 99 K HN 0.062 nan 8.250 nan 0.000 0.439 100 Y N -0.834 119.302 120.300 -0.273 0.000 2.347 100 Y HA 0.369 4.916 4.550 -0.006 0.000 0.294 100 Y C 0.237 176.044 175.900 -0.154 0.000 1.117 100 Y CA 0.459 58.452 58.100 -0.178 0.000 1.184 100 Y CB 0.457 38.822 38.460 -0.158 0.000 1.047 100 Y HN 0.068 nan 8.280 nan 0.000 0.546 101 A N -0.243 122.552 122.820 -0.042 0.000 2.876 101 A HA 0.442 4.759 4.320 -0.005 0.000 0.309 101 A C -2.295 175.207 177.584 -0.137 0.000 1.168 101 A CA -1.127 50.853 52.037 -0.095 0.000 0.762 101 A CB 0.467 19.407 19.000 -0.099 0.000 1.262 101 A HN -0.050 nan 8.150 nan 0.000 0.435 102 P HA -0.218 nan 4.420 nan 0.000 0.215 102 P C 0.951 178.166 177.300 -0.141 0.000 1.153 102 P CA 1.754 64.762 63.100 -0.153 0.000 0.853 102 P CB 0.129 31.763 31.700 -0.109 0.000 0.788 103 E N -0.456 119.675 120.200 -0.116 0.000 2.533 103 E HA 0.052 4.399 4.350 -0.005 0.000 0.201 103 E C 1.356 177.884 176.600 -0.120 0.000 1.097 103 E CA 0.688 57.025 56.400 -0.105 0.000 0.887 103 E CB -0.644 29.000 29.700 -0.095 0.000 0.855 103 E HN 0.187 nan 8.360 nan 0.000 0.540 104 A N 1.118 123.852 122.820 -0.143 0.000 2.390 104 A HA 0.377 4.694 4.320 -0.005 0.000 0.232 104 A C 1.228 178.708 177.584 -0.172 0.000 1.233 104 A CA 0.087 52.037 52.037 -0.146 0.000 0.907 104 A CB 0.167 19.081 19.000 -0.144 0.000 0.967 104 A HN 0.288 nan 8.150 nan 0.000 0.512 105 G N -1.225 107.459 108.800 -0.193 0.000 2.588 105 G HA2 0.535 4.491 3.960 -0.005 0.000 0.278 105 G HA3 0.535 4.491 3.960 -0.005 0.000 0.278 105 G C 0.806 175.581 174.900 -0.208 0.000 1.307 105 G CA 0.162 45.121 45.100 -0.235 0.000 1.016 105 G HN 1.485 nan 8.290 nan 0.000 0.503 106 G N -1.087 107.555 108.800 -0.263 0.000 2.692 106 G HA2 -0.112 3.844 3.960 -0.005 0.000 0.248 106 G HA3 -0.112 3.844 3.960 -0.005 0.000 0.248 106 G C 1.326 176.102 174.900 -0.207 0.000 1.340 106 G CA 0.837 45.725 45.100 -0.353 0.000 0.896 106 G HN 1.623 nan 8.290 nan 0.000 0.570 107 S N -0.984 114.667 115.700 -0.081 0.000 2.426 107 S HA 0.207 4.673 4.470 -0.005 0.000 0.220 107 S C 2.367 176.972 174.600 0.009 0.000 1.040 107 S CA 3.659 61.946 58.200 0.145 0.000 1.094 107 S CB -0.705 62.672 63.200 0.296 0.000 1.072 107 S HN 2.824 nan 8.310 nan 0.000 0.415 108 G N -0.844 107.943 108.800 -0.021 0.000 2.421 108 G HA2 -0.139 3.817 3.960 -0.005 0.000 0.188 108 G HA3 -0.139 3.817 3.960 -0.005 0.000 0.188 108 G C 0.775 175.647 174.900 -0.046 0.000 1.001 108 G CA 0.294 45.362 45.100 -0.053 0.000 0.693 108 G HN 0.476 nan 8.290 nan 0.000 0.479 109 I N 2.081 122.624 120.570 -0.045 0.000 2.286 109 I HA 0.060 4.227 4.170 -0.005 0.000 0.245 109 I C 0.074 176.146 176.117 -0.075 0.000 1.104 109 I CA 1.645 62.924 61.300 -0.035 0.000 1.397 109 I CB -0.471 37.521 38.000 -0.013 0.000 1.072 109 I HN 0.166 nan 8.210 nan 0.000 0.417 110 P HA -0.153 nan 4.420 nan 0.000 0.220 110 P C 1.425 178.709 177.300 -0.027 0.000 1.148 110 P CA 1.214 64.277 63.100 -0.061 0.000 0.803 110 P CB 0.132 31.811 31.700 -0.035 0.000 0.782 111 E N -0.261 119.918 120.200 -0.036 0.000 2.158 111 E HA -0.040 4.307 4.350 -0.005 0.000 0.191 111 E C 1.870 178.455 176.600 -0.026 0.000 0.982 111 E CA 0.726 57.107 56.400 -0.031 0.000 0.823 111 E CB -0.898 28.774 29.700 -0.047 0.000 0.766 111 E HN 0.168 nan 8.360 nan 0.000 0.468 112 I N 0.415 120.968 120.570 -0.028 0.000 2.500 112 I HA -0.146 4.021 4.170 -0.005 0.000 0.252 112 I C 2.051 178.153 176.117 -0.024 0.000 1.142 112 I CA 0.762 62.048 61.300 -0.024 0.000 1.451 112 I CB -0.176 37.809 38.000 -0.025 0.000 1.093 112 I HN 0.118 nan 8.210 nan 0.000 0.430 113 E N 1.023 121.209 120.200 -0.024 0.000 2.077 113 E HA -0.185 4.162 4.350 -0.005 0.000 0.193 113 E C 2.329 178.923 176.600 -0.010 0.000 0.989 113 E CA 1.339 57.722 56.400 -0.027 0.000 0.800 113 E CB -0.296 29.401 29.700 -0.007 0.000 0.746 113 E HN 0.593 nan 8.360 nan 0.000 0.452 114 G N 1.154 109.955 108.800 0.002 0.000 2.418 114 G HA2 -0.244 3.713 3.960 -0.005 0.000 0.217 114 G HA3 -0.244 3.713 3.960 -0.005 0.000 0.217 114 G C 1.674 176.585 174.900 0.019 0.000 1.158 114 G CA 0.818 45.926 45.100 0.013 0.000 0.771 114 G HN 0.343 nan 8.290 nan 0.000 0.545 115 A N 0.233 123.061 122.820 0.014 0.000 2.076 115 A HA 0.135 4.452 4.320 -0.005 0.000 0.220 115 A C 2.302 179.922 177.584 0.059 0.000 1.160 115 A CA 0.993 53.049 52.037 0.032 0.000 0.653 115 A CB -0.263 18.750 19.000 0.021 0.000 0.801 115 A HN 0.388 nan 8.150 nan 0.000 0.455 116 L N -0.973 120.268 121.223 0.029 0.000 2.341 116 L HA 0.008 4.345 4.340 -0.005 0.000 0.214 116 L C 1.635 178.513 176.870 0.013 0.000 1.115 116 L CA 0.557 55.405 54.840 0.012 0.000 0.820 116 L CB -0.103 41.899 42.059 -0.095 0.000 0.944 116 L HN 0.316 nan 8.230 nan 0.000 0.452 117 E N -0.487 119.733 120.200 0.032 0.000 2.476 117 E HA 0.006 4.353 4.350 -0.005 0.000 0.196 117 E C -0.583 176.064 176.600 0.077 0.000 1.029 117 E CA 0.023 56.451 56.400 0.048 0.000 0.896 117 E CB 0.230 29.956 29.700 0.042 0.000 1.012 117 E HN 0.325 nan 8.360 nan 0.000 0.475 118 D N 1.734 122.190 120.400 0.093 0.000 2.812 118 D HA -0.174 4.463 4.640 -0.005 0.000 0.237 118 D C 0.381 176.714 176.300 0.054 0.000 1.162 118 D CA 0.484 54.532 54.000 0.080 0.000 0.740 118 D CB -0.418 40.436 40.800 0.089 0.000 1.000 118 D HN 0.288 nan 8.370 nan 0.000 0.416 119 Q N -0.461 119.365 119.800 0.042 0.000 2.081 119 Q HA 0.101 4.438 4.340 -0.005 0.000 0.220 119 Q C 0.204 176.218 176.000 0.024 0.000 0.775 119 Q CA 0.151 55.973 55.803 0.031 0.000 0.983 119 Q CB 1.386 30.140 28.738 0.027 0.000 1.188 119 Q HN 0.244 nan 8.270 nan 0.000 0.458 120 R N 1.202 121.716 120.500 0.024 0.000 2.604 120 R HA 0.501 4.837 4.340 -0.005 0.000 0.281 120 R C -2.619 173.692 176.300 0.018 0.000 1.020 120 R CA -1.716 54.392 56.100 0.013 0.000 0.899 120 R CB 1.477 31.777 30.300 0.001 0.000 1.205 120 R HN -0.056 nan 8.270 nan 0.000 0.450 121 P HA 0.267 nan 4.420 nan 0.000 0.276 121 P C -0.397 176.893 177.300 -0.016 0.000 1.244 121 P CA -0.477 62.639 63.100 0.026 0.000 0.801 121 P CB 0.961 32.688 31.700 0.044 0.000 1.006 122 V N 2.917 122.829 119.914 -0.003 0.000 2.225 122 V HA 0.219 4.336 4.120 -0.005 0.000 0.264 122 V C 1.158 177.134 176.094 -0.198 0.000 1.067 122 V CA -0.511 61.763 62.300 -0.044 0.000 0.903 122 V CB -0.338 31.515 31.823 0.051 0.000 1.136 122 V HN 0.435 nan 8.190 nan 0.000 0.456 123 R N 3.678 123.899 120.500 -0.465 0.000 4.510 123 R HA -0.034 4.302 4.340 -0.005 0.000 0.170 123 R C 1.627 177.142 176.300 -1.309 0.000 1.906 123 R CA -0.084 55.243 56.100 -1.287 0.000 1.492 123 R CB -0.172 29.588 30.300 -0.899 0.000 1.383 123 R HN 0.943 nan 8.270 nan 0.000 0.823 124 W N 1.210 122.018 121.300 -0.820 0.000 2.321 124 W HA -0.270 4.386 4.660 -0.006 0.000 0.306 124 W C 0.873 177.178 176.519 -0.356 0.000 1.217 124 W CA 0.967 58.061 57.345 -0.418 0.000 1.257 124 W CB -1.322 28.058 29.460 -0.133 0.000 1.145 124 W HN 0.488 nan 8.180 nan 0.000 0.509 125 W N 1.634 122.383 121.300 -0.920 0.000 2.480 125 W HA 0.040 4.697 4.660 -0.005 0.000 0.257 125 W C 2.060 178.433 176.519 -0.244 0.000 1.235 125 W CA 1.351 58.268 57.345 -0.713 0.000 1.218 125 W CB -1.197 27.731 29.460 -0.887 0.000 1.131 125 W HN -0.177 nan 8.180 nan 0.000 0.606 126 R N 0.550 120.652 120.500 -0.664 0.000 2.009 126 R HA 0.037 4.374 4.340 -0.005 0.000 0.206 126 R C 2.275 178.459 176.300 -0.193 0.000 1.356 126 R CA 1.013 56.914 56.100 -0.332 0.000 1.088 126 R CB -0.919 29.134 30.300 -0.412 0.000 0.959 126 R HN 0.094 nan 8.270 nan 0.000 0.469 127 V N 2.843 122.605 119.914 -0.254 0.000 2.317 127 V HA -0.293 3.824 4.120 -0.005 0.000 0.251 127 V C 2.547 178.609 176.094 -0.052 0.000 1.065 127 V CA 1.771 63.986 62.300 -0.142 0.000 1.049 127 V CB -0.713 31.013 31.823 -0.160 0.000 0.651 127 V HN 0.307 nan 8.190 nan 0.000 0.450 128 L N 0.435 121.651 121.223 -0.011 0.000 1.963 128 L HA -0.155 4.182 4.340 -0.005 0.000 0.220 128 L C 0.583 177.493 176.870 0.066 0.000 1.076 128 L CA 2.653 57.512 54.840 0.031 0.000 0.772 128 L CB -2.183 39.928 42.059 0.085 0.000 0.892 128 L HN 0.403 nan 8.230 nan 0.000 0.435 129 P HA -0.066 nan 4.420 nan 0.000 0.220 129 P C 1.898 179.363 177.300 0.275 0.000 1.152 129 P CA 1.067 64.322 63.100 0.259 0.000 0.812 129 P CB 0.192 32.043 31.700 0.251 0.000 0.792 130 V N 1.049 121.021 119.914 0.096 0.000 2.283 130 V HA -0.185 3.932 4.120 -0.005 0.000 0.243 130 V C 2.835 178.937 176.094 0.012 0.000 1.039 130 V CA 2.144 64.458 62.300 0.023 0.000 1.016 130 V CB -1.092 30.704 31.823 -0.046 0.000 0.650 130 V HN 0.068 nan 8.190 nan 0.000 0.449 131 K N -0.224 120.174 120.400 -0.004 0.000 2.097 131 K HA -0.163 4.154 4.320 -0.005 0.000 0.206 131 K C 1.874 178.498 176.600 0.040 0.000 1.049 131 K CA 1.619 57.886 56.287 -0.032 0.000 0.933 131 K CB -0.526 31.931 32.500 -0.072 0.000 0.717 131 K HN 0.394 nan 8.250 nan 0.000 0.442 132 F N -0.237 119.672 119.950 -0.069 0.000 2.000 132 F HA -0.189 4.335 4.527 -0.005 0.000 0.295 132 F C 1.626 177.427 175.800 0.001 0.000 1.159 132 F CA 1.744 59.712 58.000 -0.054 0.000 1.171 132 F CB -0.445 38.403 39.000 -0.254 0.000 0.971 132 F HN -0.017 nan 8.300 nan 0.000 0.479 133 F N 1.035 121.032 119.950 0.077 0.000 2.126 133 F HA -0.069 4.454 4.527 -0.006 0.000 0.299 133 F C 2.699 178.365 175.800 -0.223 0.000 1.096 133 F CA 1.499 59.444 58.000 -0.091 0.000 1.255 133 F CB -1.540 37.520 39.000 0.099 0.000 0.997 133 F HN 0.135 nan 8.300 nan 0.000 0.479 134 G N -0.562 108.201 108.800 -0.062 0.000 2.432 134 G HA2 -0.139 3.818 3.960 -0.005 0.000 0.219 134 G HA3 -0.139 3.818 3.960 -0.005 0.000 0.219 134 G C 2.024 176.822 174.900 -0.170 0.000 1.135 134 G CA 0.837 45.781 45.100 -0.260 0.000 0.767 134 G HN 0.533 nan 8.290 nan 0.000 0.550 135 G N 0.587 109.362 108.800 -0.042 0.000 2.421 135 G HA2 -0.036 3.921 3.960 -0.005 0.000 0.217 135 G HA3 -0.036 3.921 3.960 -0.005 0.000 0.217 135 G C 1.637 176.536 174.900 -0.003 0.000 1.143 135 G CA 0.476 45.613 45.100 0.062 0.000 0.784 135 G HN 0.295 nan 8.290 nan 0.000 0.541 136 L N 1.733 122.861 121.223 -0.159 0.000 2.081 136 L HA 0.017 4.354 4.340 -0.005 0.000 0.212 136 L C 2.917 179.727 176.870 -0.101 0.000 1.080 136 L CA 1.613 56.262 54.840 -0.317 0.000 0.754 136 L CB -1.062 40.807 42.059 -0.316 0.000 0.893 136 L HN 0.241 nan 8.230 nan 0.000 0.433 137 G N -1.368 107.406 108.800 -0.043 0.000 2.484 137 G HA2 -0.297 3.659 3.960 -0.005 0.000 0.215 137 G HA3 -0.297 3.659 3.960 -0.005 0.000 0.215 137 G C 1.546 176.459 174.900 0.022 0.000 1.219 137 G CA 1.525 46.644 45.100 0.032 0.000 0.791 137 G HN 0.451 nan 8.290 nan 0.000 0.550 138 T N -0.637 113.904 114.554 -0.023 0.000 2.833 138 T HA 0.015 4.361 4.350 -0.005 0.000 0.269 138 T C 2.200 176.910 174.700 0.018 0.000 1.054 138 T CA 0.932 63.032 62.100 -0.000 0.000 1.135 138 T CB -0.102 68.729 68.868 -0.061 0.000 0.869 138 T HN -0.004 nan 8.240 nan 0.000 0.466 139 L N 1.440 122.665 121.223 0.004 0.000 2.162 139 L HA 0.366 4.703 4.340 -0.005 0.000 0.205 139 L C 2.860 179.723 176.870 -0.011 0.000 1.086 139 L CA 1.564 56.407 54.840 0.005 0.000 0.778 139 L CB -1.630 40.428 42.059 -0.001 0.000 0.928 139 L HN 0.480 nan 8.230 nan 0.000 0.446 140 G N -0.684 108.100 108.800 -0.027 0.000 2.402 140 G HA2 -0.183 3.774 3.960 -0.005 0.000 0.216 140 G HA3 -0.183 3.774 3.960 -0.005 0.000 0.216 140 G C 1.461 176.375 174.900 0.023 0.000 1.162 140 G CA 0.594 45.693 45.100 -0.001 0.000 0.777 140 G HN 0.480 nan 8.290 nan 0.000 0.539 141 G N 0.044 108.865 108.800 0.034 0.000 2.708 141 G HA2 0.336 4.293 3.960 -0.005 0.000 0.210 141 G HA3 0.336 4.293 3.960 -0.005 0.000 0.210 141 G C 1.180 176.098 174.900 0.030 0.000 1.141 141 G CA 0.569 45.688 45.100 0.033 0.000 0.788 141 G HN 1.454 nan 8.290 nan 0.000 0.531 142 G N -0.371 108.449 108.800 0.033 0.000 2.289 142 G HA2 -0.275 3.682 3.960 -0.005 0.000 0.280 142 G HA3 -0.275 3.682 3.960 -0.005 0.000 0.280 142 G C 0.259 175.186 174.900 0.046 0.000 1.089 142 G CA 0.285 45.410 45.100 0.041 0.000 0.939 142 G HN 0.441 nan 8.290 nan 0.000 0.499 143 M N -0.622 119.007 119.600 0.049 0.000 2.291 143 M HA 0.347 4.824 4.480 -0.005 0.000 0.324 143 M C 1.206 177.547 176.300 0.068 0.000 1.148 143 M CA -0.616 54.721 55.300 0.063 0.000 1.104 143 M CB 1.464 34.109 32.600 0.076 0.000 1.483 143 M HN -0.063 nan 8.290 nan 0.000 0.467 144 V N 4.544 124.508 119.914 0.082 0.000 1.959 144 V HA 0.105 4.222 4.120 -0.005 0.000 0.242 144 V C -0.150 176.009 176.094 0.108 0.000 1.613 144 V CA 0.460 62.811 62.300 0.084 0.000 1.566 144 V CB -1.870 30.009 31.823 0.093 0.000 1.547 144 V HN 0.527 nan 8.190 nan 0.000 0.503 145 L N 1.007 122.284 121.223 0.090 0.000 2.376 145 L HA 0.838 5.174 4.340 -0.005 0.000 0.258 145 L C 0.750 177.663 176.870 0.072 0.000 1.013 145 L CA -0.596 54.317 54.840 0.121 0.000 0.822 145 L CB 1.951 44.086 42.059 0.125 0.000 1.388 145 L HN 0.404 nan 8.230 nan 0.000 0.413 146 G N -0.141 108.712 108.800 0.089 0.000 2.531 146 G HA2 0.464 4.421 3.960 -0.005 0.000 0.281 146 G HA3 0.464 4.421 3.960 -0.005 0.000 0.281 146 G C 0.295 175.210 174.900 0.024 0.000 1.382 146 G CA -0.362 44.758 45.100 0.033 0.000 1.045 146 G HN 0.662 nan 8.290 nan 0.000 0.533 147 R N -0.968 119.503 120.500 -0.048 0.000 2.146 147 R HA 0.102 4.439 4.340 -0.005 0.000 0.206 147 R C 2.471 178.625 176.300 -0.244 0.000 1.049 147 R CA 0.809 56.856 56.100 -0.088 0.000 1.029 147 R CB 0.011 30.269 30.300 -0.070 0.000 0.949 147 R HN 0.607 nan 8.270 nan 0.000 0.471 148 E N 0.532 120.537 120.200 -0.326 0.000 2.086 148 E HA -0.234 4.113 4.350 -0.005 0.000 0.205 148 E C 1.916 178.373 176.600 -0.238 0.000 1.027 148 E CA 1.664 57.832 56.400 -0.387 0.000 0.830 148 E CB -0.907 28.515 29.700 -0.463 0.000 0.751 148 E HN 0.409 nan 8.360 nan 0.000 0.456 149 G N 1.674 110.412 108.800 -0.103 0.000 2.672 149 G HA2 -0.265 3.691 3.960 -0.005 0.000 0.218 149 G HA3 -0.265 3.691 3.960 -0.005 0.000 0.218 149 G C -0.731 174.077 174.900 -0.153 0.000 1.238 149 G CA 1.436 46.504 45.100 -0.055 0.000 0.791 149 G HN 0.285 nan 8.290 nan 0.000 0.606 150 P HA -0.159 nan 4.420 nan 0.000 0.216 150 P C 2.424 179.480 177.300 -0.407 0.000 1.157 150 P CA 2.860 65.736 63.100 -0.374 0.000 0.880 150 P CB -0.396 30.914 31.700 -0.650 0.000 0.791 151 T N -3.632 110.664 114.554 -0.431 0.000 2.812 151 T HA -0.076 4.270 4.350 -0.005 0.000 0.264 151 T C 1.834 176.400 174.700 -0.225 0.000 1.042 151 T CA 1.165 63.063 62.100 -0.337 0.000 1.140 151 T CB -1.498 67.172 68.868 -0.331 0.000 0.870 151 T HN -0.134 nan 8.240 nan 0.000 0.445 152 V N 1.909 121.703 119.914 -0.200 0.000 2.407 152 V HA -0.203 3.914 4.120 -0.005 0.000 0.248 152 V C 2.906 178.943 176.094 -0.094 0.000 1.055 152 V CA 2.141 64.369 62.300 -0.120 0.000 1.049 152 V CB -0.917 30.862 31.823 -0.073 0.000 0.662 152 V HN 0.547 nan 8.190 nan 0.000 0.455 153 Q N -0.690 119.044 119.800 -0.110 0.000 2.083 153 Q HA -0.123 4.213 4.340 -0.005 0.000 0.198 153 Q C 2.356 178.297 176.000 -0.098 0.000 0.969 153 Q CA 1.381 57.129 55.803 -0.092 0.000 0.838 153 Q CB 0.006 28.686 28.738 -0.097 0.000 0.900 153 Q HN 0.487 nan 8.270 nan 0.000 0.436 154 I N 0.567 121.059 120.570 -0.130 0.000 2.163 154 I HA -0.211 3.955 4.170 -0.005 0.000 0.243 154 I C 2.277 178.330 176.117 -0.107 0.000 1.085 154 I CA 1.664 62.892 61.300 -0.121 0.000 1.347 154 I CB -1.391 36.510 38.000 -0.164 0.000 1.044 154 I HN 0.404 nan 8.210 nan 0.000 0.408 155 G N 0.572 109.302 108.800 -0.117 0.000 2.459 155 G HA2 -0.214 3.743 3.960 -0.005 0.000 0.217 155 G HA3 -0.214 3.743 3.960 -0.005 0.000 0.217 155 G C 1.723 176.571 174.900 -0.087 0.000 1.183 155 G CA 0.879 45.917 45.100 -0.103 0.000 0.776 155 G HN 0.476 nan 8.290 nan 0.000 0.552 156 G N 0.789 109.546 108.800 -0.072 0.000 2.450 156 G HA2 -0.240 3.717 3.960 -0.005 0.000 0.220 156 G HA3 -0.240 3.717 3.960 -0.005 0.000 0.220 156 G C 1.737 176.604 174.900 -0.055 0.000 1.130 156 G CA 1.236 46.301 45.100 -0.057 0.000 0.760 156 G HN 0.465 nan 8.290 nan 0.000 0.557 157 N N 0.437 119.107 118.700 -0.050 0.000 2.142 157 N HA -0.013 4.723 4.740 -0.005 0.000 0.186 157 N C 2.123 177.582 175.510 -0.085 0.000 1.023 157 N CA 0.721 53.760 53.050 -0.019 0.000 0.852 157 N CB -0.204 38.296 38.487 0.022 0.000 0.998 157 N HN 0.352 nan 8.380 nan 0.000 0.424 158 I N -0.050 120.457 120.570 -0.105 0.000 2.361 158 I HA -0.172 3.995 4.170 -0.005 0.000 0.251 158 I C 2.246 178.255 176.117 -0.181 0.000 1.133 158 I CA 1.137 62.344 61.300 -0.155 0.000 1.413 158 I CB -0.590 37.333 38.000 -0.130 0.000 1.073 158 I HN 0.213 nan 8.210 nan 0.000 0.424 159 G N 0.567 109.286 108.800 -0.136 0.000 2.422 159 G HA2 -0.254 3.702 3.960 -0.005 0.000 0.218 159 G HA3 -0.254 3.702 3.960 -0.005 0.000 0.218 159 G C 1.772 176.592 174.900 -0.134 0.000 1.140 159 G CA 0.456 45.482 45.100 -0.124 0.000 0.775 159 G HN 0.190 nan 8.290 nan 0.000 0.545 160 R N 0.164 120.582 120.500 -0.137 0.000 2.075 160 R HA 0.189 4.526 4.340 -0.005 0.000 0.226 160 R C 2.455 178.565 176.300 -0.316 0.000 1.114 160 R CA 1.406 57.436 56.100 -0.118 0.000 0.972 160 R CB -0.772 29.536 30.300 0.013 0.000 0.869 160 R HN 0.350 nan 8.270 nan 0.000 0.437 161 M N 0.305 119.516 119.600 -0.648 0.000 2.089 161 M HA -0.192 4.285 4.480 -0.005 0.000 0.257 161 M C 1.642 177.605 176.300 -0.562 0.000 1.071 161 M CA 2.515 57.106 55.300 -1.180 0.000 1.096 161 M CB -0.092 31.803 32.600 -1.175 0.000 1.330 161 M HN 0.126 nan 8.290 nan 0.000 0.403 162 V N -1.300 118.437 119.914 -0.296 0.000 3.041 162 V HA -0.115 4.002 4.120 -0.005 0.000 0.260 162 V C 2.098 178.195 176.094 0.006 0.000 1.105 162 V CA 1.128 63.380 62.300 -0.081 0.000 1.125 162 V CB -1.213 30.527 31.823 -0.137 0.000 0.730 162 V HN 0.619 nan 8.190 nan 0.000 0.479 163 L N 0.739 121.927 121.223 -0.057 0.000 2.131 163 L HA 0.074 4.411 4.340 -0.005 0.000 0.206 163 L C 1.980 178.885 176.870 0.058 0.000 1.087 163 L CA 2.011 56.855 54.840 0.006 0.000 0.767 163 L CB -0.560 41.493 42.059 -0.011 0.000 0.917 163 L HN 0.189 nan 8.230 nan 0.000 0.441 164 D N 0.009 120.425 120.400 0.027 0.000 2.085 164 D HA -0.091 4.546 4.640 -0.005 0.000 0.199 164 D C 2.206 178.563 176.300 0.095 0.000 0.981 164 D CA 1.737 55.800 54.000 0.104 0.000 0.834 164 D CB -0.203 40.743 40.800 0.243 0.000 0.992 164 D HN 0.355 nan 8.370 nan 0.000 0.457 165 I N -0.360 120.236 120.570 0.043 0.000 2.657 165 I HA -0.219 3.948 4.170 -0.005 0.000 0.261 165 I C 0.789 176.876 176.117 -0.050 0.000 1.212 165 I CA 0.898 62.210 61.300 0.020 0.000 1.453 165 I CB 0.011 37.998 38.000 -0.021 0.000 1.092 165 I HN -0.072 nan 8.210 nan 0.000 0.452 166 F N 0.230 120.168 119.950 -0.019 0.000 2.735 166 F HA 0.294 4.817 4.527 -0.005 0.000 0.304 166 F C 0.524 176.327 175.800 0.005 0.000 1.119 166 F CA -0.685 57.314 58.000 -0.001 0.000 1.280 166 F CB 0.280 39.281 39.000 0.002 0.000 0.994 166 F HN -0.227 nan 8.300 nan 0.000 0.520 167 R N 1.422 121.998 120.500 0.127 0.000 2.569 167 R HA -0.210 4.127 4.340 -0.005 0.000 0.212 167 R C -0.288 176.065 176.300 0.089 0.000 0.741 167 R CA 0.321 56.474 56.100 0.089 0.000 0.499 167 R CB -2.076 28.256 30.300 0.053 0.000 1.224 167 R HN 0.444 nan 8.270 nan 0.000 0.522 168 L N 0.667 121.950 121.223 0.101 0.000 2.416 168 L HA 0.107 4.444 4.340 -0.005 0.000 0.272 168 L C 1.161 178.055 176.870 0.040 0.000 1.161 168 L CA 0.449 55.332 54.840 0.071 0.000 0.845 168 L CB 0.579 42.673 42.059 0.058 0.000 1.119 168 L HN 0.086 nan 8.230 nan 0.000 0.464 169 K N 2.337 122.754 120.400 0.029 0.000 2.110 169 K HA 0.673 4.990 4.320 -0.005 0.000 0.263 169 K C -0.284 176.316 176.600 0.000 0.000 0.975 169 K CA 0.061 56.357 56.287 0.015 0.000 0.895 169 K CB 1.424 33.933 32.500 0.016 0.000 1.060 169 K HN 0.760 nan 8.250 nan 0.000 0.448 170 G N 2.669 111.460 108.800 -0.014 0.000 2.697 170 G HA2 -0.151 3.806 3.960 -0.005 0.000 0.686 170 G HA3 -0.151 3.806 3.960 -0.005 0.000 0.686 170 G C -0.067 174.793 174.900 -0.067 0.000 1.179 170 G CA -0.541 44.542 45.100 -0.027 0.000 0.765 170 G HN 0.720 nan 8.290 nan 0.000 0.649 171 D N -0.065 120.284 120.400 -0.086 0.000 2.133 171 D HA -0.101 4.535 4.640 -0.005 0.000 0.195 171 D C 2.030 178.242 176.300 -0.147 0.000 0.997 171 D CA 1.740 55.634 54.000 -0.177 0.000 0.840 171 D CB 0.060 40.804 40.800 -0.093 0.000 0.947 171 D HN 0.697 nan 8.370 nan 0.000 0.452 172 E N 0.007 120.184 120.200 -0.039 0.000 2.005 172 E HA -0.221 4.126 4.350 -0.005 0.000 0.198 172 E C 2.012 178.611 176.600 -0.003 0.000 1.010 172 E CA 1.285 57.687 56.400 0.004 0.000 0.825 172 E CB -0.098 29.611 29.700 0.016 0.000 0.769 172 E HN 0.188 nan 8.360 nan 0.000 0.456 173 A N 1.415 124.225 122.820 -0.016 0.000 1.849 173 A HA -0.285 4.032 4.320 -0.005 0.000 0.217 173 A C 2.205 179.774 177.584 -0.024 0.000 1.202 173 A CA 2.098 54.125 52.037 -0.016 0.000 0.629 173 A CB -0.867 18.124 19.000 -0.015 0.000 0.834 173 A HN 0.308 nan 8.150 nan 0.000 0.447 174 R N -1.431 119.034 120.500 -0.058 0.000 2.154 174 R HA -0.245 4.092 4.340 -0.005 0.000 0.248 174 R C 1.984 178.276 176.300 -0.014 0.000 1.155 174 R CA 2.227 58.287 56.100 -0.067 0.000 0.979 174 R CB -0.377 29.840 30.300 -0.139 0.000 0.869 174 R HN 0.859 nan 8.270 nan 0.000 0.452 175 H N -2.094 116.956 119.070 -0.033 0.000 2.320 175 H HA 0.042 4.594 4.556 -0.005 0.000 0.309 175 H C 2.026 177.320 175.328 -0.056 0.000 1.057 175 H CA 1.148 57.166 56.048 -0.050 0.000 1.374 175 H CB 0.162 29.884 29.762 -0.068 0.000 1.421 175 H HN 0.122 nan 8.280 nan 0.000 0.532 176 T N 1.456 116.061 114.554 0.085 0.000 2.607 176 T HA -0.184 4.163 4.350 -0.005 0.000 0.267 176 T C 2.117 176.814 174.700 -0.005 0.000 1.049 176 T CA 1.327 63.439 62.100 0.020 0.000 1.162 176 T CB -0.427 68.448 68.868 0.012 0.000 0.863 176 T HN 0.166 nan 8.240 nan 0.000 0.424 177 L N 0.346 121.561 121.223 -0.015 0.000 2.131 177 L HA -0.073 4.263 4.340 -0.005 0.000 0.210 177 L C 2.485 179.331 176.870 -0.040 0.000 1.092 177 L CA 0.821 55.636 54.840 -0.041 0.000 0.759 177 L CB -0.578 41.447 42.059 -0.056 0.000 0.903 177 L HN 0.251 nan 8.230 nan 0.000 0.435 178 L N -0.015 121.199 121.223 -0.016 0.000 2.201 178 L HA -0.096 4.240 4.340 -0.005 0.000 0.212 178 L C 2.496 179.348 176.870 -0.029 0.000 1.105 178 L CA 1.732 56.563 54.840 -0.015 0.000 0.775 178 L CB -0.539 41.532 42.059 0.021 0.000 0.913 178 L HN 0.125 nan 8.230 nan 0.000 0.440 179 A N -1.176 121.625 122.820 -0.031 0.000 1.835 179 A HA -0.171 4.145 4.320 -0.005 0.000 0.213 179 A C 2.392 179.944 177.584 -0.055 0.000 1.210 179 A CA 2.001 54.007 52.037 -0.053 0.000 0.605 179 A CB -1.411 17.553 19.000 -0.060 0.000 0.860 179 A HN 0.524 nan 8.150 nan 0.000 0.447 180 T N -1.544 112.980 114.554 -0.051 0.000 2.737 180 T HA -0.061 4.286 4.350 -0.005 0.000 0.269 180 T C 1.857 176.520 174.700 -0.062 0.000 1.040 180 T CA 2.182 64.248 62.100 -0.055 0.000 1.142 180 T CB -0.942 67.896 68.868 -0.049 0.000 0.861 180 T HN 0.468 nan 8.240 nan 0.000 0.456 181 G N 1.006 109.767 108.800 -0.065 0.000 2.421 181 G HA2 0.058 4.014 3.960 -0.005 0.000 0.216 181 G HA3 0.058 4.014 3.960 -0.005 0.000 0.216 181 G C 2.018 176.878 174.900 -0.067 0.000 1.171 181 G CA 0.998 46.053 45.100 -0.074 0.000 0.775 181 G HN 0.798 nan 8.290 nan 0.000 0.543 182 A N 1.100 123.889 122.820 -0.053 0.000 1.902 182 A HA 0.237 4.554 4.320 -0.005 0.000 0.217 182 A C 2.803 180.376 177.584 -0.018 0.000 1.181 182 A CA 2.375 54.391 52.037 -0.034 0.000 0.623 182 A CB -0.771 18.217 19.000 -0.019 0.000 0.818 182 A HN 0.768 nan 8.150 nan 0.000 0.443 183 A N -0.098 122.707 122.820 -0.024 0.000 1.841 183 A HA 0.190 4.506 4.320 -0.005 0.000 0.214 183 A C 2.564 180.113 177.584 -0.058 0.000 1.195 183 A CA 2.185 54.210 52.037 -0.020 0.000 0.611 183 A CB -1.310 17.659 19.000 -0.052 0.000 0.835 183 A HN 1.204 nan 8.150 nan 0.000 0.443 184 A N -0.493 122.286 122.820 -0.070 0.000 1.940 184 A HA -0.084 4.233 4.320 -0.005 0.000 0.221 184 A C 2.417 179.945 177.584 -0.094 0.000 1.190 184 A CA 2.446 54.438 52.037 -0.075 0.000 0.647 184 A CB -1.544 17.415 19.000 -0.068 0.000 0.821 184 A HN 0.873 nan 8.150 nan 0.000 0.457 185 G N -0.763 107.976 108.800 -0.102 0.000 2.402 185 G HA2 -0.100 3.857 3.960 -0.005 0.000 0.216 185 G HA3 -0.100 3.857 3.960 -0.005 0.000 0.216 185 G C 1.531 176.315 174.900 -0.193 0.000 1.162 185 G CA 1.059 46.074 45.100 -0.141 0.000 0.777 185 G HN 0.568 nan 8.290 nan 0.000 0.539 186 L N 0.738 121.863 121.223 -0.164 0.000 2.156 186 L HA 0.260 4.596 4.340 -0.005 0.000 0.208 186 L C 3.008 179.765 176.870 -0.188 0.000 1.095 186 L CA 1.712 56.419 54.840 -0.222 0.000 0.770 186 L CB -0.231 41.733 42.059 -0.159 0.000 0.914 186 L HN 0.224 nan 8.230 nan 0.000 0.439 187 A N -0.064 122.676 122.820 -0.134 0.000 1.832 187 A HA -0.086 4.231 4.320 -0.005 0.000 0.214 187 A C 2.409 179.857 177.584 -0.227 0.000 1.200 187 A CA 1.420 53.385 52.037 -0.119 0.000 0.610 187 A CB -1.352 17.589 19.000 -0.097 0.000 0.842 187 A HN 0.492 nan 8.150 nan 0.000 0.444 188 A N -0.508 122.170 122.820 -0.236 0.000 2.204 188 A HA 0.104 4.421 4.320 -0.005 0.000 0.220 188 A C 2.145 179.457 177.584 -0.453 0.000 1.165 188 A CA 2.024 53.864 52.037 -0.330 0.000 0.671 188 A CB -0.742 18.182 19.000 -0.128 0.000 0.792 188 A HN 1.108 nan 8.150 nan 0.000 0.473 189 A N -2.232 120.319 122.820 -0.449 0.000 2.081 189 A HA 0.413 4.730 4.320 -0.005 0.000 0.214 189 A C 1.282 178.474 177.584 -0.654 0.000 1.158 189 A CA 0.882 52.553 52.037 -0.609 0.000 0.724 189 A CB -0.119 18.340 19.000 -0.902 0.000 0.826 189 A HN 0.550 nan 8.150 nan 0.000 0.463 190 F N -2.248 117.572 119.950 -0.215 0.000 2.915 190 F HA 0.245 4.768 4.527 -0.006 0.000 0.347 190 F C 0.602 176.250 175.800 -0.253 0.000 1.104 190 F CA -0.145 57.759 58.000 -0.160 0.000 1.126 190 F CB 0.297 39.248 39.000 -0.083 0.000 1.145 190 F HN 0.186 nan 8.300 nan 0.000 0.541 191 N N 2.137 120.651 118.700 -0.311 0.000 2.738 191 N HA -0.223 4.513 4.740 -0.005 0.000 0.249 191 N C -0.517 174.956 175.510 -0.061 0.000 1.047 191 N CA 0.708 53.600 53.050 -0.263 0.000 0.707 191 N CB -0.782 37.653 38.487 -0.087 0.000 0.937 191 N HN 0.378 nan 8.380 nan 0.000 0.545 192 A N 0.503 123.301 122.820 -0.037 0.000 3.165 192 A HA 0.458 4.774 4.320 -0.005 0.000 0.331 192 A C -0.858 176.708 177.584 -0.029 0.000 1.034 192 A CA -0.702 51.331 52.037 -0.007 0.000 0.906 192 A CB 0.750 19.770 19.000 0.033 0.000 1.054 192 A HN 0.296 nan 8.150 nan 0.000 0.484 193 P HA -0.259 nan 4.420 nan 0.000 0.215 193 P C 1.621 178.862 177.300 -0.099 0.000 1.163 193 P CA 1.155 64.222 63.100 -0.056 0.000 0.894 193 P CB 0.136 31.833 31.700 -0.005 0.000 0.791 194 L N -0.486 120.699 121.223 -0.063 0.000 1.989 194 L HA -0.186 4.151 4.340 -0.005 0.000 0.211 194 L C 2.913 179.740 176.870 -0.072 0.000 1.071 194 L CA 1.939 56.731 54.840 -0.079 0.000 0.749 194 L CB -1.466 40.577 42.059 -0.027 0.000 0.890 194 L HN -0.032 nan 8.230 nan 0.000 0.431 195 A N 0.364 123.163 122.820 -0.036 0.000 1.948 195 A HA -0.193 4.124 4.320 -0.005 0.000 0.220 195 A C 2.367 179.964 177.584 0.022 0.000 1.177 195 A CA 1.916 53.949 52.037 -0.006 0.000 0.636 195 A CB -1.289 17.700 19.000 -0.019 0.000 0.815 195 A HN 0.510 nan 8.150 nan 0.000 0.449 196 G N 0.198 108.988 108.800 -0.016 0.000 2.446 196 G HA2 -0.210 3.747 3.960 -0.005 0.000 0.217 196 G HA3 -0.210 3.747 3.960 -0.005 0.000 0.217 196 G C 1.510 176.414 174.900 0.006 0.000 1.168 196 G CA 1.236 46.337 45.100 0.002 0.000 0.771 196 G HN 0.537 nan 8.290 nan 0.000 0.551 197 I N 0.352 120.854 120.570 -0.115 0.000 2.163 197 I HA -0.084 4.083 4.170 -0.005 0.000 0.240 197 I C 2.592 178.668 176.117 -0.067 0.000 1.081 197 I CA 0.420 61.620 61.300 -0.167 0.000 1.353 197 I CB -0.363 37.403 38.000 -0.390 0.000 1.054 197 I HN 0.021 nan 8.210 nan 0.000 0.407 198 L N 0.165 121.368 121.223 -0.033 0.000 2.129 198 L HA -0.257 4.080 4.340 -0.005 0.000 0.212 198 L C 2.614 179.539 176.870 0.092 0.000 1.087 198 L CA 2.053 56.904 54.840 0.018 0.000 0.757 198 L CB -1.014 41.062 42.059 0.028 0.000 0.896 198 L HN 0.291 nan 8.230 nan 0.000 0.434 199 F N 0.460 120.387 119.950 -0.038 0.000 2.146 199 F HA -0.199 4.325 4.527 -0.005 0.000 0.298 199 F C 2.324 178.113 175.800 -0.019 0.000 1.096 199 F CA 1.016 59.014 58.000 -0.005 0.000 1.275 199 F CB -0.282 38.722 39.000 0.007 0.000 1.008 199 F HN -0.078 nan 8.300 nan 0.000 0.480 200 I N 1.032 121.523 120.570 -0.133 0.000 2.142 200 I HA -0.231 3.936 4.170 -0.005 0.000 0.240 200 I C 2.002 177.985 176.117 -0.225 0.000 1.078 200 I CA 1.119 62.268 61.300 -0.251 0.000 1.343 200 I CB -0.747 37.171 38.000 -0.136 0.000 1.046 200 I HN 0.236 nan 8.210 nan 0.000 0.405 201 I N -1.069 119.422 120.570 -0.132 0.000 3.688 201 I HA 0.062 4.229 4.170 -0.005 0.000 0.307 201 I C 1.150 177.205 176.117 -0.102 0.000 1.287 201 I CA 0.998 62.230 61.300 -0.114 0.000 1.192 201 I CB -1.140 36.819 38.000 -0.068 0.000 1.043 201 I HN 0.477 nan 8.210 nan 0.000 0.442 202 E N 0.959 121.082 120.200 -0.128 0.000 2.576 202 E HA 0.004 4.351 4.350 -0.005 0.000 0.214 202 E C 1.228 177.751 176.600 -0.128 0.000 0.859 202 E CA 0.367 56.715 56.400 -0.087 0.000 1.399 202 E CB 0.667 30.367 29.700 -0.001 0.000 1.374 202 E HN 0.534 nan 8.360 nan 0.000 0.718 203 E N -1.008 119.038 120.200 -0.258 0.000 2.617 203 E HA 0.098 4.445 4.350 -0.005 0.000 0.208 203 E C 1.431 177.812 176.600 -0.364 0.000 0.888 203 E CA 0.049 56.283 56.400 -0.276 0.000 1.485 203 E CB 0.303 29.900 29.700 -0.172 0.000 1.482 203 E HN 0.010 nan 8.360 nan 0.000 0.813 204 M N 1.522 120.814 119.600 -0.514 0.000 2.115 204 M HA 0.139 4.616 4.480 -0.005 0.000 0.261 204 M C 0.876 177.029 176.300 -0.245 0.000 1.079 204 M CA 1.035 56.104 55.300 -0.385 0.000 1.143 204 M CB -1.100 31.249 32.600 -0.419 0.000 1.332 204 M HN 0.074 nan 8.290 nan 0.000 0.421 205 R N 1.700 122.056 120.500 -0.240 0.000 2.619 205 R HA 0.026 4.363 4.340 -0.005 0.000 0.268 205 R C -2.519 173.659 176.300 -0.204 0.000 0.990 205 R CA -0.905 55.061 56.100 -0.222 0.000 1.092 205 R CB -1.447 28.727 30.300 -0.209 0.000 0.935 205 R HN 0.043 nan 8.270 nan 0.000 0.415 206 P HA -0.084 nan 4.420 nan 0.000 0.256 206 P C -0.395 176.810 177.300 -0.158 0.000 1.173 206 P CA 0.384 63.401 63.100 -0.139 0.000 0.768 206 P CB 0.654 32.253 31.700 -0.169 0.000 0.758 207 Q N 2.252 121.931 119.800 -0.202 0.000 2.451 207 Q HA 0.055 4.392 4.340 -0.005 0.000 0.206 207 Q C 0.393 175.899 176.000 -0.823 0.000 0.947 207 Q CA 1.412 56.892 55.803 -0.537 0.000 0.937 207 Q CB -0.134 28.157 28.738 -0.745 0.000 1.025 207 Q HN 0.468 nan 8.270 nan 0.000 0.511 208 F N -1.318 118.620 119.950 -0.019 0.000 2.711 208 F HA 0.265 4.789 4.527 -0.006 0.000 0.296 208 F C 0.601 176.411 175.800 0.017 0.000 1.096 208 F CA -0.508 57.493 58.000 0.001 0.000 1.280 208 F CB 0.327 39.329 39.000 0.003 0.000 1.060 208 F HN -0.138 nan 8.300 nan 0.000 0.608 209 R N -0.535 120.060 120.500 0.157 0.000 2.720 209 R HA 0.390 4.727 4.340 -0.005 0.000 0.272 209 R C -0.892 175.465 176.300 0.095 0.000 0.991 209 R CA -0.750 55.427 56.100 0.127 0.000 1.010 209 R CB 0.699 31.068 30.300 0.114 0.000 1.141 209 R HN 0.033 nan 8.270 nan 0.000 0.494 210 Y N 1.391 121.698 120.300 0.012 0.000 2.457 210 Y HA 0.214 4.760 4.550 -0.005 0.000 0.341 210 Y C -0.875 175.020 175.900 -0.010 0.000 1.240 210 Y CA 0.628 58.725 58.100 -0.006 0.000 1.437 210 Y CB 1.042 39.506 38.460 0.006 0.000 1.328 210 Y HN 0.770 nan 8.280 nan 0.000 0.588 211 T N 6.023 119.955 114.554 -1.036 0.000 2.916 211 T HA 0.340 4.687 4.350 -0.005 0.000 0.298 211 T C -0.630 173.467 174.700 -1.006 0.000 1.031 211 T CA -0.887 60.734 62.100 -0.799 0.000 0.993 211 T CB 1.116 69.678 68.868 -0.509 0.000 1.045 211 T HN 0.523 nan 8.240 nan 0.000 0.454 212 L N 1.061 121.999 121.223 -0.475 0.000 2.821 212 L HA 0.427 4.764 4.340 -0.005 0.000 0.239 212 L C -0.084 176.737 176.870 -0.081 0.000 1.391 212 L CA -0.095 54.625 54.840 -0.199 0.000 1.231 212 L CB -1.623 40.437 42.059 0.002 0.000 1.598 212 L HN 0.543 nan 8.230 nan 0.000 0.428 213 I N -0.659 119.831 120.570 -0.134 0.000 2.337 213 I HA 0.223 4.390 4.170 -0.005 0.000 0.291 213 I C 0.855 176.958 176.117 -0.023 0.000 1.046 213 I CA -0.273 60.988 61.300 -0.064 0.000 1.324 213 I CB 0.947 38.885 38.000 -0.105 0.000 1.409 213 I HN 0.309 nan 8.210 nan 0.000 0.494 214 S N 5.593 121.297 115.700 0.006 0.000 2.455 214 S HA 0.206 4.672 4.470 -0.005 0.000 0.278 214 S C 1.149 175.772 174.600 0.037 0.000 1.216 214 S CA -0.503 57.714 58.200 0.028 0.000 1.055 214 S CB 0.315 63.535 63.200 0.032 0.000 0.939 214 S HN 0.515 nan 8.310 nan 0.000 0.494 215 I N 5.864 126.467 120.570 0.055 0.000 2.226 215 I HA -0.099 4.068 4.170 -0.005 0.000 0.245 215 I C 2.412 178.629 176.117 0.167 0.000 1.100 215 I CA 1.465 62.820 61.300 0.092 0.000 1.374 215 I CB -0.492 37.571 38.000 0.105 0.000 1.057 215 I HN 0.754 nan 8.210 nan 0.000 0.413 216 K N 0.454 120.930 120.400 0.126 0.000 2.103 216 K HA -0.219 4.098 4.320 -0.005 0.000 0.207 216 K C 2.118 178.794 176.600 0.126 0.000 1.048 216 K CA 1.500 57.854 56.287 0.112 0.000 0.930 216 K CB -0.122 32.400 32.500 0.037 0.000 0.716 216 K HN 0.323 nan 8.250 nan 0.000 0.444 217 A N 0.797 123.668 122.820 0.084 0.000 1.835 217 A HA -0.139 4.177 4.320 -0.005 0.000 0.215 217 A C 2.236 179.859 177.584 0.066 0.000 1.199 217 A CA 1.858 53.929 52.037 0.057 0.000 0.615 217 A CB -0.942 18.075 19.000 0.027 0.000 0.838 217 A HN 0.152 nan 8.150 nan 0.000 0.444 218 V N -1.095 118.850 119.914 0.053 0.000 2.313 218 V HA -0.343 3.774 4.120 -0.005 0.000 0.253 218 V C 2.280 178.391 176.094 0.028 0.000 1.070 218 V CA 2.454 64.758 62.300 0.008 0.000 1.057 218 V CB -1.033 30.771 31.823 -0.032 0.000 0.653 218 V HN 0.558 nan 8.190 nan 0.000 0.450 219 F N -0.489 119.449 119.950 -0.021 0.000 2.010 219 F HA -0.215 4.309 4.527 -0.005 0.000 0.296 219 F C 2.388 178.173 175.800 -0.025 0.000 1.146 219 F CA 2.005 59.994 58.000 -0.018 0.000 1.181 219 F CB -0.283 38.708 39.000 -0.014 0.000 0.965 219 F HN 0.003 nan 8.300 nan 0.000 0.480 220 I N 0.404 121.114 120.570 0.234 0.000 2.182 220 I HA -0.376 3.791 4.170 -0.005 0.000 0.248 220 I C 2.605 178.750 176.117 0.047 0.000 1.073 220 I CA 2.007 63.366 61.300 0.100 0.000 1.335 220 I CB -2.035 35.989 38.000 0.040 0.000 1.031 220 I HN 0.318 nan 8.210 nan 0.000 0.420 221 G N 0.305 109.117 108.800 0.020 0.000 2.404 221 G HA2 -0.142 3.815 3.960 -0.005 0.000 0.215 221 G HA3 -0.142 3.815 3.960 -0.005 0.000 0.215 221 G C 1.801 176.690 174.900 -0.018 0.000 1.174 221 G CA 0.928 46.014 45.100 -0.025 0.000 0.780 221 G HN 0.286 nan 8.290 nan 0.000 0.537 222 V N 1.687 121.589 119.914 -0.021 0.000 2.332 222 V HA -0.195 3.922 4.120 -0.005 0.000 0.248 222 V C 2.829 178.926 176.094 0.006 0.000 1.055 222 V CA 1.317 63.592 62.300 -0.042 0.000 1.038 222 V CB -0.445 31.308 31.823 -0.118 0.000 0.651 222 V HN 0.254 nan 8.190 nan 0.000 0.450 223 I N -0.688 119.919 120.570 0.062 0.000 2.099 223 I HA -0.234 3.932 4.170 -0.005 0.000 0.239 223 I C 2.515 178.659 176.117 0.044 0.000 1.066 223 I CA 1.755 63.102 61.300 0.079 0.000 1.324 223 I CB -1.353 36.716 38.000 0.114 0.000 1.037 223 I HN 0.247 nan 8.210 nan 0.000 0.401 224 M N 0.799 120.414 119.600 0.024 0.000 2.089 224 M HA -0.216 4.261 4.480 -0.005 0.000 0.257 224 M C 2.594 178.907 176.300 0.022 0.000 1.071 224 M CA 2.299 57.604 55.300 0.008 0.000 1.096 224 M CB -1.841 30.743 32.600 -0.027 0.000 1.330 224 M HN 0.520 nan 8.290 nan 0.000 0.403 225 S N -0.774 114.934 115.700 0.014 0.000 2.382 225 S HA -0.119 4.347 4.470 -0.005 0.000 0.228 225 S C 1.905 176.551 174.600 0.076 0.000 1.027 225 S CA 1.867 60.085 58.200 0.030 0.000 0.991 225 S CB -0.761 62.435 63.200 -0.007 0.000 0.823 225 S HN 0.506 nan 8.310 nan 0.000 0.469 226 T N 2.631 117.222 114.554 0.062 0.000 2.777 226 T HA 0.165 4.512 4.350 -0.005 0.000 0.266 226 T C 1.753 176.535 174.700 0.136 0.000 1.040 226 T CA 1.328 63.489 62.100 0.102 0.000 1.141 226 T CB -0.426 68.481 68.868 0.064 0.000 0.868 226 T HN 0.387 nan 8.240 nan 0.000 0.444 227 I N 0.777 121.399 120.570 0.086 0.000 2.286 227 I HA -0.174 3.993 4.170 -0.005 0.000 0.248 227 I C 2.436 178.590 176.117 0.061 0.000 1.115 227 I CA 0.976 62.313 61.300 0.062 0.000 1.392 227 I CB -0.319 37.702 38.000 0.034 0.000 1.065 227 I HN 0.237 nan 8.210 nan 0.000 0.418 228 M N -0.318 119.341 119.600 0.099 0.000 2.077 228 M HA -0.242 4.235 4.480 -0.005 0.000 0.261 228 M C 2.480 178.914 176.300 0.224 0.000 1.070 228 M CA 1.859 57.247 55.300 0.147 0.000 1.125 228 M CB -1.492 31.212 32.600 0.173 0.000 1.339 228 M HN 0.217 nan 8.290 nan 0.000 0.409 229 Y N 1.380 121.748 120.300 0.113 0.000 2.256 229 Y HA -0.217 4.330 4.550 -0.006 0.000 0.288 229 Y C 2.331 178.280 175.900 0.081 0.000 1.155 229 Y CA 1.747 59.918 58.100 0.119 0.000 1.203 229 Y CB -0.070 38.427 38.460 0.063 0.000 0.980 229 Y HN 0.115 nan 8.280 nan 0.000 0.530 230 R N -0.148 120.398 120.500 0.077 0.000 2.153 230 R HA -0.052 4.285 4.340 -0.005 0.000 0.218 230 R C 2.123 178.305 176.300 -0.198 0.000 1.072 230 R CA 0.996 57.076 56.100 -0.033 0.000 0.990 230 R CB -0.378 29.966 30.300 0.074 0.000 0.889 230 R HN 0.420 nan 8.270 nan 0.000 0.452 231 I N 0.160 120.566 120.570 -0.273 0.000 2.335 231 I HA -0.241 3.925 4.170 -0.005 0.000 0.251 231 I C 1.562 177.127 176.117 -0.919 0.000 1.129 231 I CA 1.688 62.653 61.300 -0.558 0.000 1.402 231 I CB -0.484 37.034 38.000 -0.803 0.000 1.069 231 I HN 0.037 nan 8.210 nan 0.000 0.424 232 F N -0.093 119.635 119.950 -0.370 0.000 2.602 232 F HA 0.157 4.680 4.527 -0.006 0.000 0.284 232 F C 1.309 176.775 175.800 -0.557 0.000 1.111 232 F CA 0.064 57.805 58.000 -0.432 0.000 1.405 232 F CB -0.115 38.728 39.000 -0.262 0.000 1.121 232 F HN -0.034 nan 8.300 nan 0.000 0.603 233 N N -0.071 118.356 118.700 -0.454 0.000 2.389 233 N HA 0.051 4.788 4.740 -0.005 0.000 0.260 233 N C -0.340 175.028 175.510 -0.237 0.000 1.191 233 N CA -0.119 52.686 53.050 -0.408 0.000 0.885 233 N CB -0.504 37.543 38.487 -0.733 0.000 1.162 233 N HN 0.279 nan 8.380 nan 0.000 0.512 234 H N -0.465 118.536 119.070 -0.114 0.000 2.598 234 H HA 0.260 4.812 4.556 -0.006 0.000 0.371 234 H C 0.445 175.757 175.328 -0.028 0.000 1.468 234 H CA -0.400 55.613 56.048 -0.059 0.000 1.454 234 H CB 0.039 29.765 29.762 -0.060 0.000 1.579 234 H HN 0.032 nan 8.280 nan 0.000 0.611 235 E N -1.907 118.403 120.200 0.182 0.000 2.604 235 E HA -0.127 4.219 4.350 -0.005 0.000 0.255 235 E C -1.149 175.498 176.600 0.079 0.000 1.164 235 E CA 0.905 57.347 56.400 0.070 0.000 0.737 235 E CB -1.044 28.638 29.700 -0.030 0.000 1.317 235 E HN 0.356 nan 8.360 nan 0.000 0.417 236 V N -0.460 119.508 119.914 0.090 0.000 2.809 236 V HA 0.460 4.576 4.120 -0.005 0.000 0.290 236 V C -0.567 175.575 176.094 0.081 0.000 1.305 236 V CA -0.147 62.196 62.300 0.071 0.000 0.939 236 V CB 1.780 33.645 31.823 0.070 0.000 1.081 236 V HN 0.253 nan 8.190 nan 0.000 0.439 237 A N 4.508 127.365 122.820 0.062 0.000 2.286 237 A HA 0.799 5.116 4.320 -0.005 0.000 0.286 237 A C 0.840 178.439 177.584 0.024 0.000 1.097 237 A CA -0.359 51.711 52.037 0.055 0.000 0.821 237 A CB 0.759 19.774 19.000 0.026 0.000 1.076 237 A HN 0.903 nan 8.150 nan 0.000 0.490 238 L N 0.587 121.800 121.223 -0.017 0.000 2.072 238 L HA 0.026 4.363 4.340 -0.005 0.000 0.205 238 L C 0.008 176.771 176.870 -0.179 0.000 1.079 238 L CA 0.885 55.655 54.840 -0.117 0.000 0.752 238 L CB -0.383 41.495 42.059 -0.301 0.000 0.906 238 L HN 0.466 nan 8.230 nan 0.000 0.436 239 I N -0.329 120.135 120.570 -0.177 0.000 2.466 239 I HA 0.333 4.500 4.170 -0.005 0.000 0.289 239 I C -1.236 174.844 176.117 -0.062 0.000 1.026 239 I CA -0.542 60.679 61.300 -0.132 0.000 1.078 239 I CB 1.575 39.471 38.000 -0.174 0.000 1.249 239 I HN -0.098 nan 8.210 nan 0.000 0.429 240 D N 5.547 125.930 120.400 -0.028 0.000 2.549 240 D HA 0.481 5.117 4.640 -0.005 0.000 0.251 240 D C 0.102 176.398 176.300 -0.007 0.000 1.153 240 D CA -0.261 53.731 54.000 -0.012 0.000 0.861 240 D CB 1.972 42.771 40.800 -0.001 0.000 1.207 240 D HN 0.238 nan 8.370 nan 0.000 0.543 241 V N 1.705 121.614 119.914 -0.007 0.000 3.432 241 V HA 0.511 4.628 4.120 -0.005 0.000 0.298 241 V C 1.174 177.268 176.094 0.000 0.000 1.464 241 V CA 0.033 62.333 62.300 -0.001 0.000 1.046 241 V CB -0.291 31.531 31.823 -0.002 0.000 0.887 241 V HN 0.828 nan 8.190 nan 0.000 0.441 242 G N 1.744 110.544 108.800 -0.001 0.000 2.819 242 G HA2 -0.224 3.733 3.960 -0.005 0.000 0.682 242 G HA3 -0.224 3.733 3.960 -0.005 0.000 0.682 242 G C -0.462 174.439 174.900 0.001 0.000 1.481 242 G CA -0.126 44.974 45.100 0.002 0.000 0.904 242 G HN 0.505 nan 8.290 nan 0.000 0.563 243 K N 1.060 121.462 120.400 0.003 0.000 2.315 243 K HA 0.453 4.770 4.320 -0.005 0.000 0.291 243 K C 1.287 177.888 176.600 0.002 0.000 1.074 243 K CA -0.373 55.915 56.287 0.002 0.000 0.936 243 K CB -0.075 32.428 32.500 0.004 0.000 1.049 243 K HN 0.460 nan 8.250 nan 0.000 0.471 244 L N 2.282 123.504 121.223 -0.002 0.000 2.456 244 L HA 0.135 4.471 4.340 -0.005 0.000 0.246 244 L C 1.066 177.937 176.870 0.002 0.000 1.238 244 L CA 0.039 54.881 54.840 0.004 0.000 0.826 244 L CB 0.514 42.572 42.059 -0.002 0.000 1.150 244 L HN 0.878 nan 8.230 nan 0.000 0.514 245 S N -0.835 114.872 115.700 0.013 0.000 2.598 245 S HA 0.221 4.688 4.470 -0.005 0.000 0.267 245 S C -0.455 174.139 174.600 -0.010 0.000 1.189 245 S CA -0.828 57.380 58.200 0.012 0.000 1.010 245 S CB 0.851 64.073 63.200 0.037 0.000 1.084 245 S HN 0.485 nan 8.310 nan 0.000 0.541 246 D N 0.110 120.505 120.400 -0.008 0.000 2.437 246 D HA 0.682 5.319 4.640 -0.005 0.000 0.259 246 D C -0.717 175.564 176.300 -0.030 0.000 1.118 246 D CA -0.335 53.643 54.000 -0.035 0.000 1.017 246 D CB 1.154 41.936 40.800 -0.030 0.000 1.120 246 D HN 0.794 nan 8.370 nan 0.000 0.541 247 A N 1.017 123.797 122.820 -0.067 0.000 2.323 247 A HA 0.588 4.905 4.320 -0.005 0.000 0.305 247 A C -2.444 175.119 177.584 -0.035 0.000 1.275 247 A CA -1.236 50.773 52.037 -0.048 0.000 0.804 247 A CB 0.330 19.244 19.000 -0.144 0.000 1.152 247 A HN 0.277 nan 8.150 nan 0.000 0.487 248 P HA 0.167 nan 4.420 nan 0.000 0.269 248 P C 1.054 178.348 177.300 -0.010 0.000 1.209 248 P CA -0.410 62.691 63.100 0.003 0.000 0.776 248 P CB 0.623 32.343 31.700 0.034 0.000 0.876 249 L N 1.440 122.662 121.223 -0.002 0.000 2.079 249 L HA -0.211 4.125 4.340 -0.005 0.000 0.210 249 L C 1.876 178.762 176.870 0.026 0.000 1.081 249 L CA 1.631 56.475 54.840 0.006 0.000 0.752 249 L CB -0.771 41.294 42.059 0.011 0.000 0.896 249 L HN 0.542 nan 8.230 nan 0.000 0.433 250 N N -1.388 117.323 118.700 0.018 0.000 2.571 250 N HA -0.112 4.625 4.740 -0.005 0.000 0.189 250 N C 1.246 176.680 175.510 -0.128 0.000 1.154 250 N CA 1.068 54.138 53.050 0.032 0.000 0.907 250 N CB -0.435 38.115 38.487 0.105 0.000 0.977 250 N HN 0.140 nan 8.380 nan 0.000 0.449 251 T N 0.890 115.318 114.554 -0.210 0.000 3.031 251 T HA 0.241 4.588 4.350 -0.005 0.000 0.254 251 T C 1.858 176.469 174.700 -0.149 0.000 1.060 251 T CA -0.099 61.773 62.100 -0.379 0.000 1.135 251 T CB 0.041 68.805 68.868 -0.173 0.000 0.896 251 T HN 0.076 nan 8.240 nan 0.000 0.472 252 L N 1.612 122.886 121.223 0.085 0.000 2.030 252 L HA -0.225 4.111 4.340 -0.005 0.000 0.222 252 L C 2.866 179.840 176.870 0.173 0.000 1.082 252 L CA 2.101 57.063 54.840 0.203 0.000 0.785 252 L CB -0.885 41.247 42.059 0.123 0.000 0.895 252 L HN 0.580 nan 8.230 nan 0.000 0.439 253 W N 0.399 121.706 121.300 0.011 0.000 2.313 253 W HA -0.249 4.409 4.660 -0.005 0.000 0.293 253 W C 1.877 178.424 176.519 0.047 0.000 1.216 253 W CA 1.003 58.361 57.345 0.022 0.000 1.223 253 W CB -1.418 28.039 29.460 -0.005 0.000 1.138 253 W HN 0.209 nan 8.180 nan 0.000 0.535 254 L N 0.057 120.777 121.223 -0.838 0.000 2.012 254 L HA -0.266 4.071 4.340 -0.005 0.000 0.210 254 L C 2.720 179.450 176.870 -0.233 0.000 1.073 254 L CA 1.987 56.395 54.840 -0.720 0.000 0.748 254 L CB -1.249 40.337 42.059 -0.789 0.000 0.891 254 L HN -0.100 nan 8.230 nan 0.000 0.431 255 Y N -0.848 119.427 120.300 -0.040 0.000 2.483 255 Y HA -0.238 4.309 4.550 -0.005 0.000 0.291 255 Y C 2.200 178.051 175.900 -0.082 0.000 1.143 255 Y CA 0.480 58.543 58.100 -0.062 0.000 1.289 255 Y CB -0.209 38.172 38.460 -0.132 0.000 0.983 255 Y HN 0.140 nan 8.280 nan 0.000 0.556 256 L N 0.118 121.399 121.223 0.097 0.000 2.044 256 L HA -0.120 4.217 4.340 -0.005 0.000 0.205 256 L C 2.044 178.938 176.870 0.041 0.000 1.075 256 L CA 1.509 56.400 54.840 0.085 0.000 0.747 256 L CB -0.790 41.350 42.059 0.136 0.000 0.903 256 L HN 0.196 nan 8.230 nan 0.000 0.435 257 I N -0.731 119.863 120.570 0.039 0.000 2.248 257 I HA -0.310 3.857 4.170 -0.005 0.000 0.248 257 I C 2.346 178.363 176.117 -0.167 0.000 1.107 257 I CA 1.240 62.555 61.300 0.025 0.000 1.373 257 I CB -0.341 37.742 38.000 0.138 0.000 1.055 257 I HN 0.353 nan 8.210 nan 0.000 0.418 258 L N 0.955 121.921 121.223 -0.429 0.000 2.093 258 L HA -0.037 4.300 4.340 -0.005 0.000 0.208 258 L C 2.299 179.114 176.870 -0.092 0.000 1.085 258 L CA 2.115 56.571 54.840 -0.641 0.000 0.755 258 L CB -1.175 40.474 42.059 -0.683 0.000 0.904 258 L HN 0.153 nan 8.230 nan 0.000 0.435 259 G N -0.262 108.529 108.800 -0.014 0.000 2.408 259 G HA2 -0.216 3.741 3.960 -0.005 0.000 0.217 259 G HA3 -0.216 3.741 3.960 -0.005 0.000 0.217 259 G C 1.625 176.581 174.900 0.094 0.000 1.150 259 G CA 1.055 46.197 45.100 0.071 0.000 0.776 259 G HN 0.475 nan 8.290 nan 0.000 0.542 260 I N 0.868 121.469 120.570 0.052 0.000 2.163 260 I HA -0.159 4.008 4.170 -0.005 0.000 0.243 260 I C 2.512 178.665 176.117 0.060 0.000 1.085 260 I CA 0.625 61.965 61.300 0.066 0.000 1.347 260 I CB -0.174 37.869 38.000 0.072 0.000 1.044 260 I HN 0.064 nan 8.210 nan 0.000 0.408 261 I N 0.224 120.798 120.570 0.006 0.000 2.286 261 I HA -0.278 3.889 4.170 -0.005 0.000 0.248 261 I C 2.471 178.566 176.117 -0.037 0.000 1.115 261 I CA 1.913 63.184 61.300 -0.048 0.000 1.392 261 I CB -1.151 36.746 38.000 -0.170 0.000 1.065 261 I HN 0.157 nan 8.210 nan 0.000 0.418 262 F N 1.085 121.021 119.950 -0.023 0.000 2.293 262 F HA -0.080 4.443 4.527 -0.006 0.000 0.300 262 F C 2.524 178.356 175.800 0.053 0.000 1.086 262 F CA 1.213 59.231 58.000 0.030 0.000 1.375 262 F CB -0.486 38.497 39.000 -0.030 0.000 1.045 262 F HN 0.087 nan 8.300 nan 0.000 0.516 263 G N 0.209 109.122 108.800 0.188 0.000 2.448 263 G HA2 -0.162 3.794 3.960 -0.005 0.000 0.218 263 G HA3 -0.162 3.794 3.960 -0.005 0.000 0.218 263 G C 1.475 176.419 174.900 0.074 0.000 1.135 263 G CA 1.065 46.225 45.100 0.101 0.000 0.784 263 G HN 0.468 nan 8.290 nan 0.000 0.543 264 I N -3.504 117.121 120.570 0.091 0.000 3.035 264 I HA 0.387 4.553 4.170 -0.005 0.000 0.271 264 I C 2.142 178.301 176.117 0.069 0.000 1.190 264 I CA 0.214 61.558 61.300 0.073 0.000 1.472 264 I CB -0.283 37.766 38.000 0.082 0.000 1.116 264 I HN -0.021 nan 8.210 nan 0.000 0.443 265 F N 2.453 122.376 119.950 -0.046 0.000 2.367 265 F HA 0.325 4.850 4.527 -0.003 0.000 0.298 265 F C 2.224 177.984 175.800 -0.066 0.000 1.094 265 F CA 0.819 58.770 58.000 -0.080 0.000 1.409 265 F CB -0.538 38.394 39.000 -0.113 0.000 1.064 265 F HN 0.096 nan 8.300 nan 0.000 0.528 266 G N 1.100 109.849 108.800 -0.084 0.000 2.446 266 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.217 266 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.217 266 G C -0.754 174.004 174.900 -0.235 0.000 1.168 266 G CA 0.892 45.900 45.100 -0.155 0.000 0.771 266 G HN 0.302 nan 8.290 nan 0.000 0.551 267 P HA 0.039 nan 4.420 nan 0.000 0.217 267 P C 1.956 179.089 177.300 -0.279 0.000 1.151 267 P CA 0.503 63.500 63.100 -0.171 0.000 0.828 267 P CB -0.021 31.620 31.700 -0.098 0.000 0.788 268 I N -1.558 118.775 120.570 -0.396 0.000 2.163 268 I HA -0.272 3.895 4.170 -0.005 0.000 0.243 268 I C 2.226 177.737 176.117 -1.011 0.000 1.085 268 I CA 1.542 62.481 61.300 -0.601 0.000 1.347 268 I CB -0.661 36.983 38.000 -0.594 0.000 1.044 268 I HN -0.136 nan 8.210 nan 0.000 0.408 269 F N 1.700 120.929 119.950 -1.202 0.000 2.333 269 F HA -0.203 4.321 4.527 -0.005 0.000 0.300 269 F C 2.047 177.539 175.800 -0.514 0.000 1.083 269 F CA 1.671 59.049 58.000 -1.037 0.000 1.395 269 F CB -0.529 37.890 39.000 -0.969 0.000 1.056 269 F HN 0.106 nan 8.300 nan 0.000 0.529 270 N N -0.436 118.033 118.700 -0.384 0.000 2.333 270 N HA -0.125 4.612 4.740 -0.005 0.000 0.178 270 N C 1.734 177.139 175.510 -0.176 0.000 1.018 270 N CA 0.440 53.354 53.050 -0.227 0.000 0.882 270 N CB 0.012 38.426 38.487 -0.122 0.000 0.984 270 N HN 0.217 nan 8.380 nan 0.000 0.434 271 K N 0.439 120.722 120.400 -0.195 0.000 2.002 271 K HA -0.139 4.178 4.320 -0.005 0.000 0.209 271 K C 1.637 178.309 176.600 0.121 0.000 1.048 271 K CA 1.413 57.688 56.287 -0.020 0.000 0.930 271 K CB -0.007 32.509 32.500 0.026 0.000 0.714 271 K HN 0.198 nan 8.250 nan 0.000 0.438 272 W N 0.052 121.243 121.300 -0.182 0.000 2.352 272 W HA -0.145 4.510 4.660 -0.007 0.000 0.322 272 W C 2.108 178.499 176.519 -0.213 0.000 1.208 272 W CA 0.199 57.427 57.345 -0.194 0.000 1.286 272 W CB -1.458 27.855 29.460 -0.245 0.000 1.167 272 W HN -0.068 nan 8.180 nan 0.000 0.469 273 V N 0.986 120.824 119.914 -0.127 0.000 2.527 273 V HA -0.297 3.820 4.120 -0.005 0.000 0.255 273 V C 2.006 178.137 176.094 0.062 0.000 1.081 273 V CA 1.883 64.125 62.300 -0.096 0.000 1.092 273 V CB -0.460 31.203 31.823 -0.268 0.000 0.673 273 V HN 0.140 nan 8.190 nan 0.000 0.470 274 L N -0.680 120.569 121.223 0.044 0.000 2.130 274 L HA 0.189 4.526 4.340 -0.005 0.000 0.200 274 L C 2.662 179.567 176.870 0.058 0.000 1.075 274 L CA 1.252 56.132 54.840 0.066 0.000 0.768 274 L CB -1.144 40.944 42.059 0.048 0.000 0.933 274 L HN 0.381 nan 8.230 nan 0.000 0.451 275 G N -0.278 108.559 108.800 0.061 0.000 2.479 275 G HA2 -0.311 3.646 3.960 -0.005 0.000 0.220 275 G HA3 -0.311 3.646 3.960 -0.005 0.000 0.220 275 G C 1.494 176.406 174.900 0.020 0.000 1.115 275 G CA 0.716 45.842 45.100 0.043 0.000 0.757 275 G HN 0.142 nan 8.290 nan 0.000 0.560 276 M N -0.272 119.349 119.600 0.035 0.000 2.388 276 M HA 0.195 4.671 4.480 -0.005 0.000 0.265 276 M C 2.422 178.745 176.300 0.039 0.000 1.088 276 M CA 0.926 56.239 55.300 0.022 0.000 1.134 276 M CB -0.106 32.518 32.600 0.041 0.000 1.384 276 M HN 0.258 nan 8.290 nan 0.000 0.447 277 Q N -0.213 119.625 119.800 0.062 0.000 2.119 277 Q HA -0.171 4.165 4.340 -0.005 0.000 0.201 277 Q C 1.264 177.296 176.000 0.052 0.000 0.972 277 Q CA 1.502 57.353 55.803 0.080 0.000 0.847 277 Q CB 0.066 28.855 28.738 0.085 0.000 0.903 277 Q HN 0.497 nan 8.270 nan 0.000 0.433 278 D N 0.604 121.016 120.400 0.019 0.000 2.075 278 D HA -0.178 4.458 4.640 -0.005 0.000 0.196 278 D C 1.878 178.163 176.300 -0.024 0.000 0.985 278 D CA 0.759 54.756 54.000 -0.005 0.000 0.834 278 D CB -0.464 40.328 40.800 -0.012 0.000 0.987 278 D HN 0.178 nan 8.370 nan 0.000 0.452 279 L N 0.672 121.872 121.223 -0.039 0.000 2.129 279 L HA -0.158 4.179 4.340 -0.005 0.000 0.212 279 L C 2.196 178.993 176.870 -0.121 0.000 1.087 279 L CA 1.024 55.821 54.840 -0.072 0.000 0.757 279 L CB -0.060 41.960 42.059 -0.066 0.000 0.896 279 L HN 0.030 nan 8.230 nan 0.000 0.434 280 L N -1.645 119.509 121.223 -0.115 0.000 2.492 280 L HA -0.147 4.190 4.340 -0.005 0.000 0.223 280 L C 2.097 178.642 176.870 -0.542 0.000 1.132 280 L CA 0.452 55.163 54.840 -0.215 0.000 0.850 280 L CB -0.613 41.401 42.059 -0.076 0.000 0.966 280 L HN 0.377 nan 8.230 nan 0.000 0.454 281 H N 0.472 119.244 119.070 -0.497 0.000 2.436 281 H HA -0.005 4.547 4.556 -0.006 0.000 0.294 281 H C 2.312 177.232 175.328 -0.680 0.000 1.048 281 H CA 1.163 56.794 56.048 -0.695 0.000 1.353 281 H CB 0.300 29.913 29.762 -0.249 0.000 1.414 281 H HN 0.072 nan 8.280 nan 0.000 0.536 282 R N -0.631 119.670 120.500 -0.331 0.000 2.120 282 R HA -0.054 4.283 4.340 -0.005 0.000 0.234 282 R C 1.931 178.033 176.300 -0.330 0.000 1.123 282 R CA 1.186 57.137 56.100 -0.247 0.000 0.975 282 R CB -0.090 30.128 30.300 -0.137 0.000 0.866 282 R HN 0.167 nan 8.270 nan 0.000 0.446 283 V N 1.226 120.874 119.914 -0.444 0.000 3.305 283 V HA -0.149 3.967 4.120 -0.005 0.000 0.269 283 V C 0.756 176.633 176.094 -0.361 0.000 1.157 283 V CA 1.671 63.754 62.300 -0.360 0.000 1.157 283 V CB -0.608 31.041 31.823 -0.290 0.000 0.772 283 V HN 0.571 nan 8.190 nan 0.000 0.498 284 H N -3.553 115.306 119.070 -0.352 0.000 3.650 284 H HA 0.474 5.026 4.556 -0.006 0.000 0.260 284 H C 1.472 176.611 175.328 -0.316 0.000 1.194 284 H CA 0.124 55.967 56.048 -0.342 0.000 1.135 284 H CB -0.026 29.450 29.762 -0.476 0.000 1.612 284 H HN 0.100 nan 8.280 nan 0.000 0.703 285 G N 0.691 109.320 108.800 -0.284 0.000 2.562 285 G HA2 -0.239 3.718 3.960 -0.005 0.000 0.241 285 G HA3 -0.239 3.718 3.960 -0.005 0.000 0.241 285 G C 1.407 176.211 174.900 -0.160 0.000 1.120 285 G CA 1.272 46.275 45.100 -0.162 0.000 0.673 285 G HN 1.664 nan 8.290 nan 0.000 0.519 286 G N -0.793 107.968 108.800 -0.065 0.000 2.507 286 G HA2 0.034 3.991 3.960 -0.005 0.000 0.205 286 G HA3 0.034 3.991 3.960 -0.005 0.000 0.205 286 G C -0.213 174.825 174.900 0.230 0.000 0.996 286 G CA 0.690 45.855 45.100 0.109 0.000 0.776 286 G HN 1.497 nan 8.290 nan 0.000 0.532 287 N N 1.016 119.806 118.700 0.150 0.000 2.470 287 N HA 0.401 5.138 4.740 -0.005 0.000 0.268 287 N C 1.693 177.319 175.510 0.193 0.000 1.136 287 N CA -0.379 52.755 53.050 0.140 0.000 0.961 287 N CB 0.387 38.924 38.487 0.083 0.000 1.067 287 N HN 0.097 nan 8.380 nan 0.000 0.468 288 I N 1.974 122.648 120.570 0.173 0.000 2.248 288 I HA -0.322 3.845 4.170 -0.005 0.000 0.248 288 I C 1.291 177.518 176.117 0.184 0.000 1.107 288 I CA 1.328 62.734 61.300 0.177 0.000 1.373 288 I CB -0.119 37.965 38.000 0.140 0.000 1.055 288 I HN 0.643 nan 8.210 nan 0.000 0.418 289 T N -0.052 114.584 114.554 0.136 0.000 2.896 289 T HA -0.095 4.252 4.350 -0.005 0.000 0.263 289 T C 1.795 176.547 174.700 0.087 0.000 1.050 289 T CA 0.893 63.055 62.100 0.103 0.000 1.140 289 T CB 0.021 68.930 68.868 0.069 0.000 0.877 289 T HN 0.284 nan 8.240 nan 0.000 0.457 290 K N -0.185 120.265 120.400 0.083 0.000 2.366 290 K HA 0.007 4.323 4.320 -0.005 0.000 0.198 290 K C 1.833 178.463 176.600 0.049 0.000 1.044 290 K CA 0.291 56.611 56.287 0.054 0.000 0.973 290 K CB 0.094 32.622 32.500 0.047 0.000 0.767 290 K HN 0.318 nan 8.250 nan 0.000 0.475 291 W N 1.030 122.255 121.300 -0.125 0.000 2.474 291 W HA -0.114 4.542 4.660 -0.006 0.000 0.319 291 W C 1.741 178.104 176.519 -0.260 0.000 1.165 291 W CA 0.767 57.937 57.345 -0.292 0.000 1.356 291 W CB -0.687 28.548 29.460 -0.375 0.000 1.172 291 W HN -0.264 nan 8.180 nan 0.000 0.478 292 V N 1.356 121.378 119.914 0.180 0.000 2.317 292 V HA -0.341 3.776 4.120 -0.005 0.000 0.251 292 V C 2.439 178.510 176.094 -0.039 0.000 1.065 292 V CA 1.618 63.949 62.300 0.051 0.000 1.049 292 V CB -1.109 30.799 31.823 0.142 0.000 0.651 292 V HN 0.156 nan 8.190 nan 0.000 0.450 293 L N -1.070 120.154 121.223 0.001 0.000 2.291 293 L HA -0.062 4.275 4.340 -0.005 0.000 0.214 293 L C 2.190 179.036 176.870 -0.041 0.000 1.120 293 L CA 1.674 56.508 54.840 -0.009 0.000 0.799 293 L CB -0.519 41.547 42.059 0.012 0.000 0.925 293 L HN 0.449 nan 8.230 nan 0.000 0.446 294 M N -0.984 118.575 119.600 -0.068 0.000 2.514 294 M HA -0.002 4.475 4.480 -0.005 0.000 0.258 294 M C 1.773 177.959 176.300 -0.190 0.000 1.119 294 M CA 0.911 56.162 55.300 -0.082 0.000 1.111 294 M CB 0.013 32.579 32.600 -0.056 0.000 1.390 294 M HN 0.123 nan 8.290 nan 0.000 0.475 295 G N -0.087 108.478 108.800 -0.392 0.000 2.454 295 G HA2 -0.104 3.853 3.960 -0.005 0.000 0.214 295 G HA3 -0.104 3.853 3.960 -0.005 0.000 0.214 295 G C 1.329 176.035 174.900 -0.324 0.000 1.217 295 G CA 0.658 45.223 45.100 -0.891 0.000 0.799 295 G HN 0.547 nan 8.290 nan 0.000 0.538 296 G N 0.834 109.535 108.800 -0.165 0.000 2.498 296 G HA2 0.107 4.064 3.960 -0.005 0.000 0.219 296 G HA3 0.107 4.064 3.960 -0.005 0.000 0.219 296 G C 1.854 176.679 174.900 -0.125 0.000 1.119 296 G CA 1.428 46.488 45.100 -0.067 0.000 0.766 296 G HN 0.656 nan 8.290 nan 0.000 0.552 297 A N 0.527 123.299 122.820 -0.081 0.000 1.968 297 A HA 0.159 4.476 4.320 -0.005 0.000 0.217 297 A C 2.219 179.745 177.584 -0.097 0.000 1.169 297 A CA 0.970 52.994 52.037 -0.022 0.000 0.638 297 A CB -0.106 18.921 19.000 0.044 0.000 0.812 297 A HN 0.291 nan 8.150 nan 0.000 0.446 298 I N -0.587 119.936 120.570 -0.078 0.000 2.585 298 I HA -0.026 4.141 4.170 -0.005 0.000 0.254 298 I C 2.602 178.680 176.117 -0.064 0.000 1.129 298 I CA 1.256 62.536 61.300 -0.033 0.000 1.455 298 I CB -1.783 36.243 38.000 0.044 0.000 1.111 298 I HN 0.321 nan 8.210 nan 0.000 0.433 299 G N 0.846 109.613 108.800 -0.055 0.000 2.422 299 G HA2 -0.165 3.791 3.960 -0.005 0.000 0.218 299 G HA3 -0.165 3.791 3.960 -0.005 0.000 0.218 299 G C 1.699 176.477 174.900 -0.203 0.000 1.146 299 G CA 0.852 45.927 45.100 -0.041 0.000 0.769 299 G HN 0.458 nan 8.290 nan 0.000 0.547 300 G N 0.865 109.386 108.800 -0.464 0.000 2.394 300 G HA2 -0.075 3.882 3.960 -0.005 0.000 0.215 300 G HA3 -0.075 3.882 3.960 -0.005 0.000 0.215 300 G C 1.738 176.149 174.900 -0.814 0.000 1.165 300 G CA 0.938 45.488 45.100 -0.917 0.000 0.784 300 G HN 0.435 nan 8.290 nan 0.000 0.535 301 L N 0.815 121.689 121.223 -0.583 0.000 2.081 301 L HA -0.108 4.229 4.340 -0.005 0.000 0.212 301 L C 2.576 179.413 176.870 -0.055 0.000 1.080 301 L CA 1.686 56.437 54.840 -0.148 0.000 0.754 301 L CB -0.945 41.105 42.059 -0.014 0.000 0.893 301 L HN 0.238 nan 8.230 nan 0.000 0.433 302 C N -0.001 119.256 119.300 -0.070 0.000 2.466 302 C HA 0.060 4.517 4.460 -0.005 0.000 0.278 302 C C 2.736 177.735 174.990 0.016 0.000 1.288 302 C CA 0.571 59.589 59.018 0.000 0.000 1.722 302 C CB -1.821 25.928 27.740 0.016 0.000 2.017 302 C HN 0.758 nan 8.230 nan 0.000 0.488 303 G N 0.167 108.951 108.800 -0.027 0.000 2.509 303 G HA2 -0.146 3.811 3.960 -0.005 0.000 0.218 303 G HA3 -0.146 3.811 3.960 -0.005 0.000 0.218 303 G C 1.568 176.504 174.900 0.061 0.000 1.124 303 G CA 0.798 45.907 45.100 0.016 0.000 0.776 303 G HN 0.589 nan 8.290 nan 0.000 0.547 304 L N -0.543 120.713 121.223 0.055 0.000 2.127 304 L HA 0.294 4.631 4.340 -0.005 0.000 0.203 304 L C 2.511 179.474 176.870 0.155 0.000 1.080 304 L CA 0.797 55.702 54.840 0.107 0.000 0.768 304 L CB -0.140 42.025 42.059 0.176 0.000 0.924 304 L HN 0.111 nan 8.230 nan 0.000 0.444 305 L N 0.422 121.727 121.223 0.137 0.000 2.265 305 L HA -0.067 4.269 4.340 -0.005 0.000 0.215 305 L C 1.884 178.863 176.870 0.181 0.000 1.117 305 L CA 0.870 55.805 54.840 0.158 0.000 0.782 305 L CB -0.797 41.333 42.059 0.119 0.000 0.914 305 L HN 0.468 nan 8.230 nan 0.000 0.441 306 G N -2.082 106.820 108.800 0.170 0.000 3.414 306 G HA2 0.036 3.993 3.960 -0.005 0.000 0.258 306 G HA3 0.036 3.993 3.960 -0.005 0.000 0.258 306 G C 0.364 175.407 174.900 0.239 0.000 1.348 306 G CA -0.016 45.183 45.100 0.166 0.000 1.319 306 G HN 0.349 nan 8.290 nan 0.000 0.555 307 F N -0.994 119.004 119.950 0.080 0.000 1.781 307 F HA 0.024 4.549 4.527 -0.005 0.000 0.267 307 F C 1.899 177.761 175.800 0.104 0.000 1.142 307 F CA 0.510 58.560 58.000 0.084 0.000 1.284 307 F CB 0.106 39.148 39.000 0.069 0.000 1.728 307 F HN 0.032 nan 8.300 nan 0.000 0.437 308 V N 0.153 120.376 119.914 0.515 0.000 3.305 308 V HA 0.524 4.641 4.120 -0.005 0.000 0.269 308 V C 0.358 176.587 176.094 0.225 0.000 1.157 308 V CA 1.155 63.682 62.300 0.379 0.000 1.157 308 V CB -0.785 31.230 31.823 0.320 0.000 0.772 308 V HN 0.842 nan 8.190 nan 0.000 0.498 309 A N -0.235 122.702 122.820 0.195 0.000 2.100 309 A HA 0.535 4.851 4.320 -0.005 0.000 0.249 309 A C -1.795 175.887 177.584 0.162 0.000 1.447 309 A CA 0.031 52.176 52.037 0.180 0.000 1.397 309 A CB -0.225 18.931 19.000 0.259 0.000 1.118 309 A HN 0.279 nan 8.150 nan 0.000 0.764 310 P HA -0.094 nan 4.420 nan 0.000 0.221 310 P C 1.394 178.765 177.300 0.118 0.000 1.145 310 P CA 1.698 64.868 63.100 0.116 0.000 0.795 310 P CB 0.207 31.960 31.700 0.088 0.000 0.775 311 A N -0.495 122.401 122.820 0.126 0.000 2.239 311 A HA -0.013 4.304 4.320 -0.005 0.000 0.209 311 A C 1.816 179.446 177.584 0.076 0.000 1.171 311 A CA 1.536 53.638 52.037 0.108 0.000 0.768 311 A CB -1.344 17.698 19.000 0.070 0.000 0.790 311 A HN 0.351 nan 8.150 nan 0.000 0.478 312 T N -4.526 110.078 114.554 0.083 0.000 3.054 312 T HA 0.344 4.691 4.350 -0.005 0.000 0.255 312 T C 0.705 175.434 174.700 0.049 0.000 1.035 312 T CA 0.572 62.694 62.100 0.036 0.000 0.941 312 T CB 0.004 68.881 68.868 0.016 0.000 1.026 312 T HN 0.213 nan 8.240 nan 0.000 0.533 313 S N -0.619 115.125 115.700 0.072 0.000 2.823 313 S HA 0.739 5.206 4.470 -0.005 0.000 0.316 313 S C 0.488 175.131 174.600 0.070 0.000 1.116 313 S CA 0.337 58.580 58.200 0.071 0.000 0.911 313 S CB 0.914 64.162 63.200 0.080 0.000 1.276 313 S HN 1.418 nan 8.310 nan 0.000 0.565 314 G N -0.033 108.806 108.800 0.065 0.000 2.915 314 G HA2 -0.051 3.906 3.960 -0.005 0.000 0.337 314 G HA3 -0.051 3.906 3.960 -0.005 0.000 0.337 314 G C 0.872 175.795 174.900 0.039 0.000 1.477 314 G CA 0.058 45.194 45.100 0.059 0.000 0.916 314 G HN 1.524 nan 8.290 nan 0.000 0.550 315 G N -0.908 107.899 108.800 0.011 0.000 2.446 315 G HA2 0.351 4.308 3.960 -0.005 0.000 0.217 315 G HA3 0.351 4.308 3.960 -0.005 0.000 0.217 315 G C 1.915 176.766 174.900 -0.082 0.000 1.168 315 G CA 2.403 47.459 45.100 -0.073 0.000 0.771 315 G HN 2.733 nan 8.290 nan 0.000 0.551 316 G N -1.439 107.361 108.800 -0.000 0.000 2.260 316 G HA2 -0.196 3.761 3.960 -0.005 0.000 0.179 316 G HA3 -0.196 3.761 3.960 -0.005 0.000 0.179 316 G C 1.053 176.085 174.900 0.220 0.000 1.002 316 G CA 0.291 45.438 45.100 0.078 0.000 0.677 316 G HN 0.378 nan 8.290 nan 0.000 0.486 317 F N 0.988 121.010 119.950 0.121 0.000 2.451 317 F HA -0.015 4.508 4.527 -0.007 0.000 0.299 317 F C 2.292 178.157 175.800 0.108 0.000 1.101 317 F CA 1.074 59.145 58.000 0.117 0.000 1.436 317 F CB 0.159 39.237 39.000 0.130 0.000 1.074 317 F HN 0.187 nan 8.300 nan 0.000 0.553 318 N N 0.319 119.202 118.700 0.304 0.000 2.395 318 N HA -0.053 4.684 4.740 -0.005 0.000 0.175 318 N C 1.618 177.247 175.510 0.199 0.000 1.029 318 N CA 0.567 53.745 53.050 0.213 0.000 0.897 318 N CB -0.157 38.438 38.487 0.179 0.000 0.991 318 N HN 0.228 nan 8.380 nan 0.000 0.441 319 L N -1.636 119.727 121.223 0.232 0.000 2.492 319 L HA 0.325 4.662 4.340 -0.005 0.000 0.223 319 L C 1.348 178.371 176.870 0.255 0.000 1.132 319 L CA 0.868 55.876 54.840 0.280 0.000 0.850 319 L CB -0.369 41.876 42.059 0.309 0.000 0.966 319 L HN -0.124 nan 8.230 nan 0.000 0.454 320 I N 0.693 121.393 120.570 0.218 0.000 2.076 320 I HA -0.116 4.051 4.170 -0.005 0.000 0.237 320 I C -0.137 176.049 176.117 0.116 0.000 1.059 320 I CA 1.758 63.163 61.300 0.175 0.000 1.317 320 I CB -1.511 36.588 38.000 0.165 0.000 1.037 320 I HN 0.217 nan 8.210 nan 0.000 0.398 321 P HA -0.200 nan 4.420 nan 0.000 0.215 321 P C 1.931 179.233 177.300 0.002 0.000 1.163 321 P CA 1.563 64.685 63.100 0.036 0.000 0.894 321 P CB -0.061 31.658 31.700 0.031 0.000 0.791 322 I N -0.460 120.101 120.570 -0.015 0.000 2.099 322 I HA -0.244 3.923 4.170 -0.005 0.000 0.239 322 I C 2.271 178.239 176.117 -0.249 0.000 1.066 322 I CA 2.070 63.270 61.300 -0.167 0.000 1.324 322 I CB -1.970 35.894 38.000 -0.227 0.000 1.037 322 I HN -0.074 nan 8.210 nan 0.000 0.401 323 A N 0.478 123.274 122.820 -0.039 0.000 1.908 323 A HA -0.208 4.108 4.320 -0.005 0.000 0.218 323 A C 2.414 180.051 177.584 0.088 0.000 1.181 323 A CA 2.536 54.658 52.037 0.142 0.000 0.627 323 A CB -1.158 18.081 19.000 0.399 0.000 0.818 323 A HN 0.477 nan 8.150 nan 0.000 0.445 324 T N 0.443 115.041 114.554 0.073 0.000 2.746 324 T HA -0.026 4.321 4.350 -0.005 0.000 0.267 324 T C 2.045 176.769 174.700 0.041 0.000 1.039 324 T CA 1.447 63.588 62.100 0.069 0.000 1.142 324 T CB -0.432 68.470 68.868 0.056 0.000 0.866 324 T HN 0.606 nan 8.240 nan 0.000 0.444 325 A N 0.621 123.440 122.820 -0.002 0.000 2.216 325 A HA 0.405 4.722 4.320 -0.005 0.000 0.214 325 A C 1.887 179.461 177.584 -0.017 0.000 1.160 325 A CA 0.972 53.000 52.037 -0.015 0.000 0.725 325 A CB -1.092 17.881 19.000 -0.043 0.000 0.784 325 A HN 0.875 nan 8.150 nan 0.000 0.472 326 G N -0.625 108.169 108.800 -0.010 0.000 2.198 326 G HA2 -0.285 3.671 3.960 -0.005 0.000 0.257 326 G HA3 -0.285 3.671 3.960 -0.005 0.000 0.257 326 G C 0.380 175.256 174.900 -0.040 0.000 1.042 326 G CA 0.468 45.571 45.100 0.005 0.000 0.791 326 G HN 0.662 nan 8.290 nan 0.000 0.502 327 N N -1.270 117.344 118.700 -0.144 0.000 2.424 327 N HA 0.183 4.920 4.740 -0.005 0.000 0.178 327 N C 0.228 175.627 175.510 -0.186 0.000 1.060 327 N CA 0.073 52.996 53.050 -0.211 0.000 0.901 327 N CB 0.132 38.419 38.487 -0.332 0.000 0.979 327 N HN 0.367 nan 8.380 nan 0.000 0.451 328 F N 1.000 120.973 119.950 0.038 0.000 2.378 328 F HA 0.250 4.769 4.527 -0.012 0.000 0.325 328 F C 1.188 177.005 175.800 0.027 0.000 1.097 328 F CA -1.443 56.580 58.000 0.039 0.000 1.079 328 F CB 0.837 39.872 39.000 0.059 0.000 1.240 328 F HN -0.168 nan 8.300 nan 0.000 0.519 329 S N 1.198 117.046 115.700 0.246 0.000 2.655 329 S HA 0.260 4.727 4.470 -0.005 0.000 0.265 329 S C 0.884 175.546 174.600 0.104 0.000 1.240 329 S CA -0.683 57.591 58.200 0.123 0.000 0.986 329 S CB 0.741 63.989 63.200 0.081 0.000 0.985 329 S HN 0.718 nan 8.310 nan 0.000 0.562 330 M N 1.461 121.092 119.600 0.051 0.000 2.254 330 M HA 0.183 4.660 4.480 -0.005 0.000 0.265 330 M C 1.796 178.117 176.300 0.034 0.000 1.066 330 M CA 1.804 57.121 55.300 0.029 0.000 1.123 330 M CB -1.336 31.260 32.600 -0.006 0.000 1.388 330 M HN 0.888 nan 8.290 nan 0.000 0.425 331 G N 0.169 108.990 108.800 0.036 0.000 2.453 331 G HA2 -0.256 3.701 3.960 -0.005 0.000 0.215 331 G HA3 -0.256 3.701 3.960 -0.005 0.000 0.215 331 G C 1.437 176.374 174.900 0.063 0.000 1.201 331 G CA 1.114 46.239 45.100 0.040 0.000 0.784 331 G HN 0.481 nan 8.290 nan 0.000 0.545 332 M N 0.364 119.990 119.600 0.044 0.000 2.346 332 M HA 0.106 4.583 4.480 -0.005 0.000 0.263 332 M C 2.184 178.482 176.300 -0.002 0.000 1.064 332 M CA 1.005 56.314 55.300 0.015 0.000 1.083 332 M CB -0.302 32.293 32.600 -0.009 0.000 1.399 332 M HN 0.207 nan 8.290 nan 0.000 0.435 333 L N -2.031 119.204 121.223 0.021 0.000 2.034 333 L HA -0.149 4.188 4.340 -0.005 0.000 0.203 333 L C 2.227 179.138 176.870 0.068 0.000 1.074 333 L CA 0.814 55.660 54.840 0.010 0.000 0.748 333 L CB -0.840 41.244 42.059 0.043 0.000 0.905 333 L HN 0.044 nan 8.230 nan 0.000 0.439 334 V N 0.057 120.015 119.914 0.073 0.000 2.370 334 V HA -0.368 3.749 4.120 -0.005 0.000 0.252 334 V C 2.221 178.426 176.094 0.186 0.000 1.068 334 V CA 2.280 64.645 62.300 0.109 0.000 1.061 334 V CB -0.641 31.232 31.823 0.083 0.000 0.656 334 V HN 0.377 nan 8.190 nan 0.000 0.455 335 F N 0.108 120.079 119.950 0.035 0.000 2.060 335 F HA -0.162 4.366 4.527 0.002 0.000 0.295 335 F C 2.262 178.080 175.800 0.030 0.000 1.120 335 F CA 1.744 59.761 58.000 0.028 0.000 1.205 335 F CB -0.195 38.803 39.000 -0.004 0.000 0.986 335 F HN 0.003 nan 8.300 nan 0.000 0.470 336 I N 0.200 120.814 120.570 0.074 0.000 2.248 336 I HA -0.325 3.842 4.170 -0.005 0.000 0.248 336 I C 2.403 178.496 176.117 -0.040 0.000 1.107 336 I CA 1.558 62.829 61.300 -0.049 0.000 1.373 336 I CB -1.555 36.404 38.000 -0.070 0.000 1.055 336 I HN 0.263 nan 8.210 nan 0.000 0.418 337 F N 1.510 121.391 119.950 -0.116 0.000 2.031 337 F HA -0.201 4.322 4.527 -0.006 0.000 0.295 337 F C 2.566 178.318 175.800 -0.081 0.000 1.133 337 F CA 1.660 59.606 58.000 -0.090 0.000 1.188 337 F CB -0.780 38.165 39.000 -0.092 0.000 0.974 337 F HN -0.201 nan 8.300 nan 0.000 0.473 338 V N 0.806 120.638 119.914 -0.137 0.000 2.252 338 V HA -0.376 3.741 4.120 -0.005 0.000 0.249 338 V C 2.750 178.697 176.094 -0.245 0.000 1.056 338 V CA 2.191 64.369 62.300 -0.202 0.000 1.022 338 V CB -1.611 30.169 31.823 -0.072 0.000 0.641 338 V HN 0.538 nan 8.190 nan 0.000 0.445 339 A N -0.768 121.841 122.820 -0.353 0.000 2.032 339 A HA -0.257 4.060 4.320 -0.005 0.000 0.221 339 A C 2.350 179.823 177.584 -0.186 0.000 1.165 339 A CA 1.978 53.806 52.037 -0.349 0.000 0.645 339 A CB -0.487 18.145 19.000 -0.612 0.000 0.807 339 A HN 0.552 nan 8.150 nan 0.000 0.453 340 R N -1.253 119.144 120.500 -0.171 0.000 2.140 340 R HA 0.059 4.396 4.340 -0.005 0.000 0.213 340 R C 2.000 178.275 176.300 -0.042 0.000 1.059 340 R CA 0.959 57.008 56.100 -0.085 0.000 1.000 340 R CB -0.284 29.975 30.300 -0.068 0.000 0.910 340 R HN 0.395 nan 8.270 nan 0.000 0.455 341 V N 1.540 121.386 119.914 -0.114 0.000 2.295 341 V HA -0.235 3.881 4.120 -0.005 0.000 0.246 341 V C 2.197 178.371 176.094 0.134 0.000 1.049 341 V CA 1.681 64.022 62.300 0.069 0.000 1.024 341 V CB -0.271 31.572 31.823 0.032 0.000 0.648 341 V HN 0.268 nan 8.190 nan 0.000 0.447 342 I N 0.708 121.296 120.570 0.029 0.000 2.567 342 I HA -0.204 3.963 4.170 -0.005 0.000 0.257 342 I C 2.277 178.418 176.117 0.041 0.000 1.184 342 I CA 1.882 63.194 61.300 0.021 0.000 1.451 342 I CB -0.275 37.705 38.000 -0.034 0.000 1.089 342 I HN 0.541 nan 8.210 nan 0.000 0.441 343 T N -4.748 109.834 114.554 0.047 0.000 3.015 343 T HA 0.039 4.385 4.350 -0.005 0.000 0.250 343 T C 1.677 176.447 174.700 0.118 0.000 1.057 343 T CA 0.566 62.707 62.100 0.069 0.000 1.066 343 T CB -0.139 68.758 68.868 0.049 0.000 0.959 343 T HN 0.087 nan 8.240 nan 0.000 0.488 344 T N 2.674 117.316 114.554 0.147 0.000 2.812 344 T HA 0.219 4.566 4.350 -0.005 0.000 0.264 344 T C 1.880 176.730 174.700 0.250 0.000 1.042 344 T CA 0.688 62.916 62.100 0.213 0.000 1.140 344 T CB -0.397 68.626 68.868 0.258 0.000 0.870 344 T HN 0.237 nan 8.240 nan 0.000 0.445 345 L N 0.268 121.617 121.223 0.210 0.000 2.017 345 L HA -0.064 4.273 4.340 -0.005 0.000 0.208 345 L C 2.458 179.428 176.870 0.166 0.000 1.073 345 L CA 0.901 55.834 54.840 0.155 0.000 0.745 345 L CB -0.596 41.526 42.059 0.105 0.000 0.894 345 L HN 0.197 nan 8.230 nan 0.000 0.432 346 L N -0.751 120.551 121.223 0.133 0.000 2.042 346 L HA -0.252 4.085 4.340 -0.005 0.000 0.210 346 L C 2.521 179.489 176.870 0.164 0.000 1.076 346 L CA 1.702 56.614 54.840 0.120 0.000 0.749 346 L CB -0.541 41.570 42.059 0.085 0.000 0.893 346 L HN 0.328 nan 8.230 nan 0.000 0.432 347 C N -2.216 117.197 119.300 0.189 0.000 2.486 347 C HA -0.078 4.379 4.460 -0.005 0.000 0.279 347 C C 2.599 177.727 174.990 0.230 0.000 1.302 347 C CA 0.165 59.309 59.018 0.209 0.000 1.720 347 C CB -0.781 27.070 27.740 0.185 0.000 2.030 347 C HN 0.592 nan 8.230 nan 0.000 0.490 348 F N 1.697 121.722 119.950 0.125 0.000 2.098 348 F HA -0.085 4.438 4.527 -0.005 0.000 0.294 348 F C 2.541 178.419 175.800 0.130 0.000 1.107 348 F CA 1.967 60.038 58.000 0.118 0.000 1.234 348 F CB -0.539 38.535 39.000 0.125 0.000 1.002 348 F HN 0.037 nan 8.300 nan 0.000 0.472 349 S N -0.126 115.722 115.700 0.246 0.000 2.400 349 S HA -0.233 4.234 4.470 -0.005 0.000 0.232 349 S C 2.140 176.819 174.600 0.132 0.000 1.025 349 S CA 1.443 59.737 58.200 0.157 0.000 0.993 349 S CB -0.821 62.482 63.200 0.171 0.000 0.808 349 S HN 0.608 nan 8.310 nan 0.000 0.478 350 S N 0.818 116.630 115.700 0.188 0.000 2.547 350 S HA 0.143 4.610 4.470 -0.005 0.000 0.235 350 S C 1.448 176.343 174.600 0.493 0.000 0.980 350 S CA 0.941 59.339 58.200 0.329 0.000 0.941 350 S CB -0.647 62.771 63.200 0.364 0.000 0.763 350 S HN 0.904 nan 8.310 nan 0.000 0.532 351 G N 0.532 109.448 108.800 0.192 0.000 2.160 351 G HA2 -0.041 3.916 3.960 -0.005 0.000 0.244 351 G HA3 -0.041 3.916 3.960 -0.005 0.000 0.244 351 G C 0.176 174.992 174.900 -0.140 0.000 1.022 351 G CA 0.039 45.168 45.100 0.048 0.000 0.741 351 G HN 1.301 nan 8.290 nan 0.000 0.508 352 A N 0.564 123.262 122.820 -0.202 0.000 2.351 352 A HA 0.751 5.068 4.320 -0.005 0.000 0.257 352 A C -1.121 176.249 177.584 -0.356 0.000 1.087 352 A CA -0.834 50.865 52.037 -0.562 0.000 0.798 352 A CB 0.523 19.254 19.000 -0.448 0.000 1.033 352 A HN 0.291 nan 8.150 nan 0.000 0.488 353 P HA 0.421 nan 4.420 nan 0.000 0.271 353 P C 0.118 177.354 177.300 -0.108 0.000 1.216 353 P CA 0.838 63.810 63.100 -0.213 0.000 0.776 353 P CB 0.881 32.458 31.700 -0.204 0.000 0.881 354 G N 1.151 109.921 108.800 -0.050 0.000 2.957 354 G HA2 0.321 4.278 3.960 -0.005 0.000 0.636 354 G HA3 0.321 4.278 3.960 -0.005 0.000 0.636 354 G C -0.084 174.919 174.900 0.172 0.000 1.401 354 G CA -0.480 44.644 45.100 0.039 0.000 0.941 354 G HN 0.633 nan 8.290 nan 0.000 0.610 355 G N -0.420 108.485 108.800 0.175 0.000 2.716 355 G HA2 0.506 4.463 3.960 -0.005 0.000 0.251 355 G HA3 0.506 4.463 3.960 -0.005 0.000 0.251 355 G C 0.929 176.040 174.900 0.352 0.000 1.224 355 G CA 0.365 45.652 45.100 0.313 0.000 0.891 355 G HN 1.390 nan 8.290 nan 0.000 0.561 356 I N -0.964 119.780 120.570 0.290 0.000 4.082 356 I HA 0.319 4.485 4.170 -0.005 0.000 0.337 356 I C 1.534 177.693 176.117 0.071 0.000 1.352 356 I CA -0.469 60.844 61.300 0.021 0.000 1.097 356 I CB -0.020 37.655 38.000 -0.541 0.000 1.048 356 I HN 0.432 nan 8.210 nan 0.000 0.393 357 F N 1.262 121.229 119.950 0.028 0.000 1.997 357 F HA -0.202 4.321 4.527 -0.006 0.000 0.296 357 F C 2.684 178.489 175.800 0.008 0.000 1.160 357 F CA 2.250 60.265 58.000 0.025 0.000 1.176 357 F CB -1.295 37.793 39.000 0.147 0.000 0.964 357 F HN 0.125 nan 8.300 nan 0.000 0.484 358 A N 0.415 123.403 122.820 0.282 0.000 1.909 358 A HA -0.261 4.056 4.320 -0.005 0.000 0.221 358 A C -0.123 177.430 177.584 -0.053 0.000 1.223 358 A CA 2.671 54.708 52.037 0.000 0.000 0.658 358 A CB -2.302 16.549 19.000 -0.248 0.000 0.831 358 A HN 0.317 nan 8.150 nan 0.000 0.462 359 P HA -0.093 nan 4.420 nan 0.000 0.222 359 P C 1.495 178.775 177.300 -0.033 0.000 1.147 359 P CA 1.171 64.263 63.100 -0.013 0.000 0.790 359 P CB -0.109 31.608 31.700 0.028 0.000 0.780 360 M N -2.032 117.528 119.600 -0.067 0.000 2.447 360 M HA -0.012 4.465 4.480 -0.005 0.000 0.264 360 M C 1.710 177.964 176.300 -0.076 0.000 1.095 360 M CA 1.154 56.372 55.300 -0.135 0.000 1.125 360 M CB -0.376 32.084 32.600 -0.234 0.000 1.389 360 M HN -0.023 nan 8.290 nan 0.000 0.459 361 L N -0.663 120.546 121.223 -0.023 0.000 2.131 361 L HA -0.049 4.288 4.340 -0.005 0.000 0.206 361 L C 2.717 179.631 176.870 0.074 0.000 1.087 361 L CA 0.806 55.658 54.840 0.020 0.000 0.767 361 L CB -0.574 41.540 42.059 0.091 0.000 0.917 361 L HN 0.237 nan 8.230 nan 0.000 0.441 362 A N 0.132 123.003 122.820 0.084 0.000 1.873 362 A HA -0.149 4.168 4.320 -0.005 0.000 0.215 362 A C 2.202 179.862 177.584 0.126 0.000 1.186 362 A CA 1.305 53.412 52.037 0.117 0.000 0.616 362 A CB -0.686 18.372 19.000 0.098 0.000 0.823 362 A HN 0.337 nan 8.150 nan 0.000 0.442 363 L N -0.637 120.644 121.223 0.097 0.000 2.131 363 L HA -0.121 4.216 4.340 -0.005 0.000 0.210 363 L C 2.743 179.761 176.870 0.248 0.000 1.092 363 L CA 0.987 55.926 54.840 0.166 0.000 0.759 363 L CB -0.641 41.452 42.059 0.057 0.000 0.903 363 L HN 0.501 nan 8.230 nan 0.000 0.435 364 G N -0.949 107.973 108.800 0.204 0.000 2.421 364 G HA2 -0.180 3.777 3.960 -0.005 0.000 0.217 364 G HA3 -0.180 3.777 3.960 -0.005 0.000 0.217 364 G C 1.559 176.613 174.900 0.257 0.000 1.143 364 G CA 1.083 46.362 45.100 0.298 0.000 0.784 364 G HN 0.282 nan 8.290 nan 0.000 0.541 365 T N 1.073 115.727 114.554 0.167 0.000 2.668 365 T HA -0.110 4.237 4.350 -0.005 0.000 0.262 365 T C 2.523 177.326 174.700 0.172 0.000 1.045 365 T CA 1.224 63.418 62.100 0.157 0.000 1.152 365 T CB -0.495 68.462 68.868 0.148 0.000 0.864 365 T HN 0.016 nan 8.240 nan 0.000 0.419 366 V N 1.843 121.860 119.914 0.172 0.000 2.317 366 V HA -0.153 3.964 4.120 -0.005 0.000 0.251 366 V C 2.432 178.548 176.094 0.037 0.000 1.065 366 V CA 1.559 63.945 62.300 0.144 0.000 1.049 366 V CB -0.698 31.232 31.823 0.178 0.000 0.651 366 V HN 0.326 nan 8.190 nan 0.000 0.450 367 L N 1.039 122.251 121.223 -0.018 0.000 2.217 367 L HA 0.116 4.453 4.340 -0.005 0.000 0.211 367 L C 2.232 179.081 176.870 -0.035 0.000 1.107 367 L CA 2.188 56.866 54.840 -0.269 0.000 0.783 367 L CB -1.239 40.527 42.059 -0.488 0.000 0.919 367 L HN 0.228 nan 8.230 nan 0.000 0.442 368 G N -1.557 107.345 108.800 0.170 0.000 2.394 368 G HA2 -0.198 3.759 3.960 -0.005 0.000 0.215 368 G HA3 -0.198 3.759 3.960 -0.005 0.000 0.215 368 G C 1.374 176.426 174.900 0.255 0.000 1.165 368 G CA 1.015 46.277 45.100 0.270 0.000 0.784 368 G HN 0.418 nan 8.290 nan 0.000 0.535 369 T N 1.859 116.522 114.554 0.181 0.000 2.746 369 T HA -0.003 4.344 4.350 -0.005 0.000 0.267 369 T C 2.806 177.557 174.700 0.084 0.000 1.039 369 T CA 1.448 63.642 62.100 0.157 0.000 1.142 369 T CB -0.369 68.591 68.868 0.155 0.000 0.866 369 T HN 0.363 nan 8.240 nan 0.000 0.444 370 A N 1.264 124.105 122.820 0.035 0.000 1.883 370 A HA -0.083 4.234 4.320 -0.005 0.000 0.217 370 A C 2.027 179.571 177.584 -0.066 0.000 1.186 370 A CA 1.555 53.567 52.037 -0.042 0.000 0.624 370 A CB -1.087 17.838 19.000 -0.126 0.000 0.822 370 A HN 0.460 nan 8.150 nan 0.000 0.444 371 F N 1.050 120.909 119.950 -0.151 0.000 2.102 371 F HA -0.047 4.478 4.527 -0.004 0.000 0.298 371 F C 2.395 178.007 175.800 -0.314 0.000 1.105 371 F CA 1.603 59.482 58.000 -0.201 0.000 1.239 371 F CB -0.785 38.135 39.000 -0.134 0.000 0.991 371 F HN 0.217 nan 8.300 nan 0.000 0.474 372 G N 0.273 109.001 108.800 -0.120 0.000 2.476 372 G HA2 -0.327 3.629 3.960 -0.005 0.000 0.218 372 G HA3 -0.327 3.629 3.960 -0.005 0.000 0.218 372 G C 1.691 176.418 174.900 -0.288 0.000 1.164 372 G CA 1.252 46.172 45.100 -0.300 0.000 0.768 372 G HN 0.399 nan 8.290 nan 0.000 0.560 373 M N -0.224 119.278 119.600 -0.163 0.000 2.067 373 M HA -0.077 4.400 4.480 -0.005 0.000 0.260 373 M C 2.749 178.906 176.300 -0.237 0.000 1.069 373 M CA 1.190 56.403 55.300 -0.145 0.000 1.117 373 M CB -0.358 32.191 32.600 -0.084 0.000 1.334 373 M HN 0.109 nan 8.290 nan 0.000 0.407 374 V N 0.335 120.066 119.914 -0.305 0.000 2.380 374 V HA -0.310 3.807 4.120 -0.005 0.000 0.251 374 V C 2.532 178.356 176.094 -0.449 0.000 1.063 374 V CA 1.996 64.080 62.300 -0.359 0.000 1.055 374 V CB -1.485 30.100 31.823 -0.396 0.000 0.657 374 V HN 0.562 nan 8.190 nan 0.000 0.455 375 A N -0.296 122.173 122.820 -0.585 0.000 1.873 375 A HA -0.150 4.167 4.320 -0.005 0.000 0.215 375 A C 2.419 179.869 177.584 -0.223 0.000 1.186 375 A CA 1.947 53.688 52.037 -0.494 0.000 0.616 375 A CB -0.758 17.711 19.000 -0.885 0.000 0.823 375 A HN 0.310 nan 8.150 nan 0.000 0.442 376 V N 1.108 120.886 119.914 -0.227 0.000 2.324 376 V HA -0.268 3.849 4.120 -0.005 0.000 0.250 376 V C 2.257 178.281 176.094 -0.117 0.000 1.060 376 V CA 2.481 64.724 62.300 -0.096 0.000 1.042 376 V CB -0.835 30.948 31.823 -0.067 0.000 0.650 376 V HN 0.949 nan 8.190 nan 0.000 0.450 377 E N -0.990 119.099 120.200 -0.185 0.000 2.444 377 E HA 0.093 4.440 4.350 -0.005 0.000 0.191 377 E C 1.454 177.878 176.600 -0.295 0.000 1.041 377 E CA 0.370 56.654 56.400 -0.193 0.000 0.883 377 E CB 0.145 29.751 29.700 -0.158 0.000 1.024 377 E HN 0.513 nan 8.360 nan 0.000 0.470 378 L N -0.580 120.366 121.223 -0.462 0.000 2.537 378 L HA 0.381 4.718 4.340 -0.005 0.000 0.224 378 L C -0.455 175.777 176.870 -1.063 0.000 1.065 378 L CA 0.122 54.459 54.840 -0.838 0.000 0.860 378 L CB 0.594 41.963 42.059 -1.149 0.000 1.086 378 L HN 0.081 nan 8.230 nan 0.000 0.482 379 F N -0.725 119.134 119.950 -0.152 0.000 2.646 379 F HA 0.394 4.919 4.527 -0.003 0.000 0.364 379 F C -2.024 173.666 175.800 -0.183 0.000 1.137 379 F CA -1.709 56.168 58.000 -0.206 0.000 1.085 379 F CB 0.626 39.474 39.000 -0.254 0.000 1.331 379 F HN -0.214 nan 8.300 nan 0.000 0.472 380 P HA -0.109 nan 4.420 nan 0.000 0.226 380 P C 1.411 178.561 177.300 -0.250 0.000 1.161 380 P CA 0.777 63.790 63.100 -0.145 0.000 0.804 380 P CB 0.236 31.848 31.700 -0.146 0.000 0.829 381 Q N -0.868 118.831 119.800 -0.169 0.000 2.488 381 Q HA -0.126 4.211 4.340 -0.005 0.000 0.211 381 Q C 1.176 177.247 176.000 0.117 0.000 0.967 381 Q CA 1.261 57.004 55.803 -0.100 0.000 0.926 381 Q CB -1.078 27.618 28.738 -0.069 0.000 0.992 381 Q HN 0.405 nan 8.270 nan 0.000 0.506 382 Y N 0.033 120.393 120.300 0.099 0.000 2.482 382 Y HA 0.042 4.589 4.550 -0.006 0.000 0.270 382 Y C -0.113 175.924 175.900 0.228 0.000 1.152 382 Y CA -0.244 57.957 58.100 0.169 0.000 1.292 382 Y CB 0.151 38.682 38.460 0.119 0.000 1.070 382 Y HN 0.294 nan 8.280 nan 0.000 0.528 383 H N -0.240 118.971 119.070 0.235 0.000 2.713 383 H HA -0.179 4.374 4.556 -0.005 0.000 0.311 383 H C -0.143 175.285 175.328 0.167 0.000 1.175 383 H CA 0.228 56.372 56.048 0.160 0.000 1.143 383 H CB -2.096 27.740 29.762 0.123 0.000 1.434 383 H HN 0.253 nan 8.280 nan 0.000 0.418 384 L N -0.050 121.330 121.223 0.260 0.000 2.468 384 L HA 0.195 4.532 4.340 -0.005 0.000 0.253 384 L C 1.064 178.058 176.870 0.206 0.000 1.237 384 L CA 0.374 55.374 54.840 0.267 0.000 0.823 384 L CB 0.415 42.660 42.059 0.310 0.000 1.124 384 L HN 0.428 nan 8.230 nan 0.000 0.504 385 E N -0.355 119.985 120.200 0.233 0.000 2.343 385 E HA 0.317 4.664 4.350 -0.005 0.000 0.260 385 E C 0.188 176.939 176.600 0.252 0.000 0.908 385 E CA -0.349 56.159 56.400 0.179 0.000 0.814 385 E CB 1.671 31.450 29.700 0.133 0.000 1.302 385 E HN 0.671 nan 8.360 nan 0.000 0.408 386 A N 3.585 126.530 122.820 0.208 0.000 2.054 386 A HA -0.227 4.090 4.320 -0.005 0.000 0.223 386 A C 1.881 179.644 177.584 0.297 0.000 1.169 386 A CA 2.127 54.317 52.037 0.254 0.000 0.655 386 A CB -0.771 18.296 19.000 0.112 0.000 0.812 386 A HN 0.760 nan 8.150 nan 0.000 0.462 387 G N -0.675 108.240 108.800 0.192 0.000 2.462 387 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.220 387 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.220 387 G C 1.665 176.642 174.900 0.129 0.000 1.121 387 G CA 1.975 47.160 45.100 0.142 0.000 0.758 387 G HN 0.749 nan 8.290 nan 0.000 0.559 388 T N -1.293 113.338 114.554 0.129 0.000 2.812 388 T HA -0.024 4.323 4.350 -0.005 0.000 0.264 388 T C 2.071 176.767 174.700 -0.006 0.000 1.042 388 T CA 0.851 62.952 62.100 0.001 0.000 1.140 388 T CB -0.486 68.335 68.868 -0.079 0.000 0.870 388 T HN 0.156 nan 8.240 nan 0.000 0.445 389 F N 2.265 122.354 119.950 0.232 0.000 2.269 389 F HA 0.217 4.742 4.527 -0.004 0.000 0.301 389 F C 2.863 178.768 175.800 0.175 0.000 1.082 389 F CA 0.656 58.805 58.000 0.248 0.000 1.360 389 F CB -0.631 38.490 39.000 0.202 0.000 1.041 389 F HN 0.287 nan 8.300 nan 0.000 0.512 390 A N -0.320 122.661 122.820 0.269 0.000 1.968 390 A HA -0.050 4.266 4.320 -0.005 0.000 0.217 390 A C 2.056 179.703 177.584 0.104 0.000 1.169 390 A CA 1.158 53.307 52.037 0.187 0.000 0.638 390 A CB -0.778 18.317 19.000 0.159 0.000 0.812 390 A HN 0.308 nan 8.150 nan 0.000 0.446 391 I N -0.514 120.091 120.570 0.059 0.000 2.617 391 I HA -0.079 4.088 4.170 -0.005 0.000 0.256 391 I C 2.623 178.696 176.117 -0.073 0.000 1.167 391 I CA 1.028 62.318 61.300 -0.016 0.000 1.469 391 I CB 0.002 37.975 38.000 -0.045 0.000 1.098 391 I HN 0.300 nan 8.210 nan 0.000 0.436 392 A N -0.169 122.613 122.820 -0.062 0.000 1.930 392 A HA 0.049 4.365 4.320 -0.005 0.000 0.215 392 A C 2.368 179.865 177.584 -0.146 0.000 1.176 392 A CA 1.324 53.288 52.037 -0.122 0.000 0.632 392 A CB -1.248 17.727 19.000 -0.042 0.000 0.819 392 A HN 0.399 nan 8.150 nan 0.000 0.445 393 G N -1.023 107.737 108.800 -0.067 0.000 2.572 393 G HA2 -0.091 3.866 3.960 -0.005 0.000 0.216 393 G HA3 -0.091 3.866 3.960 -0.005 0.000 0.216 393 G C 1.478 176.197 174.900 -0.302 0.000 1.133 393 G CA 0.815 45.772 45.100 -0.239 0.000 0.791 393 G HN 0.448 nan 8.290 nan 0.000 0.538 394 M N 0.923 120.446 119.600 -0.128 0.000 2.144 394 M HA -0.038 4.439 4.480 -0.005 0.000 0.260 394 M C 2.039 178.233 176.300 -0.177 0.000 1.067 394 M CA 1.820 57.065 55.300 -0.093 0.000 1.095 394 M CB -0.043 32.525 32.600 -0.052 0.000 1.365 394 M HN 0.205 nan 8.290 nan 0.000 0.406 395 G N -1.637 107.018 108.800 -0.243 0.000 3.502 395 G HA2 0.436 4.392 3.960 -0.005 0.000 0.267 395 G HA3 0.436 4.392 3.960 -0.005 0.000 0.267 395 G C 0.932 175.624 174.900 -0.346 0.000 1.090 395 G CA 0.402 45.351 45.100 -0.252 0.000 0.795 395 G HN 0.541 nan 8.290 nan 0.000 0.535 396 A N 0.111 122.594 122.820 -0.561 0.000 1.975 396 A HA 0.284 4.600 4.320 -0.005 0.000 0.215 396 A C 2.011 179.248 177.584 -0.579 0.000 1.170 396 A CA 0.400 51.960 52.037 -0.796 0.000 0.656 396 A CB -0.155 17.793 19.000 -1.753 0.000 0.821 396 A HN 0.351 nan 8.150 nan 0.000 0.449 397 L N -0.345 120.632 121.223 -0.410 0.000 2.240 397 L HA 0.039 4.375 4.340 -0.005 0.000 0.211 397 L C 2.026 178.773 176.870 -0.205 0.000 1.106 397 L CA 0.999 55.781 54.840 -0.098 0.000 0.793 397 L CB -0.327 41.725 42.059 -0.012 0.000 0.927 397 L HN 0.403 nan 8.230 nan 0.000 0.446 398 L N -0.567 120.489 121.223 -0.279 0.000 2.376 398 L HA -0.091 4.246 4.340 -0.005 0.000 0.219 398 L C 2.322 179.034 176.870 -0.262 0.000 1.133 398 L CA 0.728 55.369 54.840 -0.331 0.000 0.816 398 L CB -0.343 41.502 42.059 -0.358 0.000 0.933 398 L HN 0.229 nan 8.230 nan 0.000 0.449 399 A N -1.104 121.583 122.820 -0.222 0.000 2.220 399 A HA 0.372 4.689 4.320 -0.005 0.000 0.211 399 A C 2.020 179.526 177.584 -0.131 0.000 1.176 399 A CA 0.877 52.812 52.037 -0.171 0.000 0.834 399 A CB 0.018 18.910 19.000 -0.179 0.000 0.868 399 A HN 0.302 nan 8.150 nan 0.000 0.488 400 A N -1.896 120.857 122.820 -0.111 0.000 2.211 400 A HA 0.370 4.686 4.320 -0.005 0.000 0.208 400 A C 1.996 179.532 177.584 -0.079 0.000 1.250 400 A CA 1.213 53.212 52.037 -0.063 0.000 0.935 400 A CB -0.176 18.837 19.000 0.023 0.000 0.982 400 A HN 0.320 nan 8.150 nan 0.000 0.490 401 S N -0.798 114.837 115.700 -0.108 0.000 2.444 401 S HA 0.236 4.703 4.470 -0.005 0.000 0.223 401 S C 1.664 176.181 174.600 -0.138 0.000 1.054 401 S CA 0.604 58.741 58.200 -0.104 0.000 0.947 401 S CB -0.163 62.983 63.200 -0.092 0.000 0.850 401 S HN 0.425 nan 8.310 nan 0.000 0.527 402 I N 0.703 121.142 120.570 -0.219 0.000 3.030 402 I HA 0.130 4.297 4.170 -0.005 0.000 0.270 402 I C 0.290 176.304 176.117 -0.172 0.000 1.211 402 I CA 0.449 61.574 61.300 -0.292 0.000 1.479 402 I CB 0.124 37.824 38.000 -0.501 0.000 1.105 402 I HN 0.195 nan 8.210 nan 0.000 0.447 403 R N 0.217 120.637 120.500 -0.134 0.000 3.656 403 R HA -0.152 4.185 4.340 -0.005 0.000 0.297 403 R C -0.065 176.197 176.300 -0.063 0.000 1.166 403 R CA 0.782 56.829 56.100 -0.088 0.000 0.799 403 R CB -2.750 27.514 30.300 -0.061 0.000 1.285 403 R HN 0.375 nan 8.270 nan 0.000 0.477 404 A N 0.264 123.044 122.820 -0.065 0.000 3.165 404 A HA 0.468 4.784 4.320 -0.005 0.000 0.331 404 A C -0.902 176.663 177.584 -0.031 0.000 1.034 404 A CA -0.943 51.096 52.037 0.003 0.000 0.906 404 A CB 0.785 19.856 19.000 0.119 0.000 1.054 404 A HN -0.016 nan 8.150 nan 0.000 0.484 405 P HA -0.193 nan 4.420 nan 0.000 0.213 405 P C 1.617 178.884 177.300 -0.054 0.000 1.170 405 P CA 0.736 63.789 63.100 -0.078 0.000 0.893 405 P CB 0.197 31.846 31.700 -0.085 0.000 0.784 406 L N 0.111 121.315 121.223 -0.031 0.000 2.051 406 L HA -0.161 4.176 4.340 -0.005 0.000 0.214 406 L C 2.331 179.203 176.870 0.003 0.000 1.076 406 L CA 2.293 57.123 54.840 -0.016 0.000 0.758 406 L CB -1.897 40.158 42.059 -0.005 0.000 0.890 406 L HN -0.001 nan 8.230 nan 0.000 0.433 407 T N -1.217 113.363 114.554 0.042 0.000 2.904 407 T HA -0.024 4.323 4.350 -0.005 0.000 0.267 407 T C 1.676 176.376 174.700 0.000 0.000 1.059 407 T CA 0.925 63.065 62.100 0.066 0.000 1.137 407 T CB -0.572 68.415 68.868 0.198 0.000 0.879 407 T HN 0.568 nan 8.240 nan 0.000 0.467 408 G N 2.084 110.864 108.800 -0.034 0.000 2.433 408 G HA2 -0.137 3.819 3.960 -0.005 0.000 0.216 408 G HA3 -0.137 3.819 3.960 -0.005 0.000 0.216 408 G C 1.477 176.315 174.900 -0.102 0.000 1.186 408 G CA 0.331 45.375 45.100 -0.093 0.000 0.779 408 G HN 0.330 nan 8.290 nan 0.000 0.543 409 I N 1.488 122.002 120.570 -0.093 0.000 2.068 409 I HA -0.178 3.989 4.170 -0.005 0.000 0.238 409 I C 2.753 178.829 176.117 -0.070 0.000 1.046 409 I CA 1.279 62.525 61.300 -0.091 0.000 1.306 409 I CB -0.842 37.112 38.000 -0.077 0.000 1.023 409 I HN 0.085 nan 8.210 nan 0.000 0.399 410 I N 0.125 120.668 120.570 -0.045 0.000 2.454 410 I HA -0.235 3.932 4.170 -0.005 0.000 0.254 410 I C 2.504 178.587 176.117 -0.058 0.000 1.156 410 I CA 1.063 62.344 61.300 -0.032 0.000 1.433 410 I CB -1.314 36.678 38.000 -0.015 0.000 1.082 410 I HN 0.228 nan 8.210 nan 0.000 0.432 411 L N 0.248 121.418 121.223 -0.087 0.000 2.044 411 L HA -0.104 4.233 4.340 -0.005 0.000 0.205 411 L C 2.502 179.275 176.870 -0.163 0.000 1.075 411 L CA 1.490 56.241 54.840 -0.148 0.000 0.747 411 L CB -0.452 41.482 42.059 -0.209 0.000 0.903 411 L HN -0.037 nan 8.230 nan 0.000 0.435 412 V N -0.448 119.382 119.914 -0.140 0.000 2.255 412 V HA -0.307 3.810 4.120 -0.005 0.000 0.247 412 V C 2.505 178.545 176.094 -0.091 0.000 1.051 412 V CA 1.874 64.100 62.300 -0.123 0.000 1.018 412 V CB -0.794 30.958 31.823 -0.119 0.000 0.641 412 V HN 0.467 nan 8.190 nan 0.000 0.445 413 L N 0.229 121.411 121.223 -0.068 0.000 2.043 413 L HA -0.220 4.116 4.340 -0.005 0.000 0.212 413 L C 2.401 179.257 176.870 -0.023 0.000 1.075 413 L CA 2.028 56.852 54.840 -0.027 0.000 0.752 413 L CB -0.726 41.338 42.059 0.008 0.000 0.891 413 L HN 0.397 nan 8.230 nan 0.000 0.432 414 E N -1.555 118.622 120.200 -0.039 0.000 2.274 414 E HA -0.138 4.209 4.350 -0.005 0.000 0.194 414 E C 2.006 178.581 176.600 -0.042 0.000 0.996 414 E CA 0.984 57.364 56.400 -0.033 0.000 0.840 414 E CB -0.026 29.654 29.700 -0.034 0.000 0.772 414 E HN 0.571 nan 8.360 nan 0.000 0.491 415 M N -0.604 118.953 119.600 -0.071 0.000 2.461 415 M HA 0.003 4.479 4.480 -0.005 0.000 0.255 415 M C 1.933 178.190 176.300 -0.072 0.000 1.137 415 M CA 0.877 56.125 55.300 -0.086 0.000 1.086 415 M CB 0.583 33.094 32.600 -0.149 0.000 1.356 415 M HN 0.052 nan 8.290 nan 0.000 0.487 416 T N -4.634 109.885 114.554 -0.057 0.000 3.003 416 T HA 0.061 4.408 4.350 -0.005 0.000 0.261 416 T C 0.440 175.126 174.700 -0.024 0.000 1.003 416 T CA -0.176 61.898 62.100 -0.043 0.000 0.917 416 T CB 0.041 68.881 68.868 -0.047 0.000 1.084 416 T HN 0.251 nan 8.240 nan 0.000 0.522 417 D N 2.240 122.631 120.400 -0.015 0.000 3.091 417 D HA -0.195 4.441 4.640 -0.005 0.000 0.215 417 D C -0.780 175.527 176.300 0.013 0.000 1.214 417 D CA 0.586 54.590 54.000 0.007 0.000 0.870 417 D CB -1.646 39.157 40.800 0.006 0.000 0.874 417 D HN 0.630 nan 8.370 nan 0.000 0.393 418 N N 2.165 120.872 118.700 0.012 0.000 2.687 418 N HA -0.027 4.710 4.740 -0.005 0.000 0.275 418 N C 0.340 175.839 175.510 -0.017 0.000 1.789 418 N CA -0.445 52.600 53.050 -0.008 0.000 0.806 418 N CB 0.208 38.668 38.487 -0.044 0.000 1.256 418 N HN 0.299 nan 8.380 nan 0.000 0.500 419 Y N 2.200 122.463 120.300 -0.063 0.000 2.315 419 Y HA -0.255 4.292 4.550 -0.005 0.000 0.288 419 Y C 1.997 177.850 175.900 -0.078 0.000 1.154 419 Y CA 2.001 60.060 58.100 -0.068 0.000 1.229 419 Y CB 0.324 38.753 38.460 -0.052 0.000 0.980 419 Y HN 0.354 nan 8.280 nan 0.000 0.540 420 Q N -0.032 119.671 119.800 -0.163 0.000 2.439 420 Q HA -0.091 4.245 4.340 -0.005 0.000 0.211 420 Q C 1.300 177.113 176.000 -0.311 0.000 0.978 420 Q CA 1.550 57.213 55.803 -0.232 0.000 0.897 420 Q CB -0.575 28.101 28.738 -0.103 0.000 0.956 420 Q HN 0.529 nan 8.270 nan 0.000 0.483 421 L N -0.350 120.684 121.223 -0.315 0.000 2.700 421 L HA 0.212 4.549 4.340 -0.005 0.000 0.234 421 L C 1.431 178.063 176.870 -0.398 0.000 1.156 421 L CA -0.290 54.343 54.840 -0.344 0.000 0.946 421 L CB -0.012 41.879 42.059 -0.279 0.000 1.216 421 L HN 0.194 nan 8.230 nan 0.000 0.493 422 I N 0.150 120.430 120.570 -0.482 0.000 2.194 422 I HA -0.328 3.839 4.170 -0.005 0.000 0.246 422 I C 2.184 178.095 176.117 -0.343 0.000 1.093 422 I CA 1.638 62.680 61.300 -0.430 0.000 1.355 422 I CB 0.151 37.759 38.000 -0.654 0.000 1.046 422 I HN 0.178 nan 8.210 nan 0.000 0.413 423 L N 0.817 121.830 121.223 -0.350 0.000 1.955 423 L HA -0.140 4.197 4.340 -0.005 0.000 0.213 423 L C -0.385 176.279 176.870 -0.344 0.000 1.072 423 L CA 2.483 57.154 54.840 -0.281 0.000 0.755 423 L CB -1.911 40.007 42.059 -0.234 0.000 0.888 423 L HN 0.148 nan 8.230 nan 0.000 0.432 424 P HA -0.238 nan 4.420 nan 0.000 0.217 424 P C 2.017 178.993 177.300 -0.539 0.000 1.162 424 P CA 1.866 64.451 63.100 -0.858 0.000 0.901 424 P CB -0.118 30.663 31.700 -1.532 0.000 0.793 425 M N -1.935 117.402 119.600 -0.438 0.000 2.082 425 M HA -0.192 4.285 4.480 -0.005 0.000 0.258 425 M C 2.244 178.411 176.300 -0.223 0.000 1.069 425 M CA 1.948 57.072 55.300 -0.292 0.000 1.102 425 M CB -1.040 31.413 32.600 -0.246 0.000 1.336 425 M HN -0.068 nan 8.290 nan 0.000 0.404 426 I N 0.496 120.944 120.570 -0.204 0.000 2.090 426 I HA -0.331 3.835 4.170 -0.005 0.000 0.236 426 I C 2.389 178.431 176.117 -0.125 0.000 1.064 426 I CA 1.582 62.796 61.300 -0.145 0.000 1.324 426 I CB -0.327 37.600 38.000 -0.121 0.000 1.044 426 I HN 0.235 nan 8.210 nan 0.000 0.399 427 I N 0.320 120.816 120.570 -0.123 0.000 2.143 427 I HA -0.398 3.769 4.170 -0.005 0.000 0.245 427 I C 2.514 178.600 176.117 -0.051 0.000 1.068 427 I CA 1.933 63.192 61.300 -0.068 0.000 1.326 427 I CB -0.601 37.371 38.000 -0.046 0.000 1.028 427 I HN 0.347 nan 8.210 nan 0.000 0.412 428 T N 0.168 114.679 114.554 -0.073 0.000 2.643 428 T HA -0.132 4.214 4.350 -0.005 0.000 0.264 428 T C 1.861 176.494 174.700 -0.111 0.000 1.045 428 T CA 1.567 63.631 62.100 -0.060 0.000 1.155 428 T CB -0.839 67.987 68.868 -0.070 0.000 0.863 428 T HN 0.588 nan 8.240 nan 0.000 0.420 429 G N 0.562 109.268 108.800 -0.156 0.000 2.479 429 G HA2 -0.114 3.843 3.960 -0.005 0.000 0.220 429 G HA3 -0.114 3.843 3.960 -0.005 0.000 0.220 429 G C 1.485 176.315 174.900 -0.116 0.000 1.115 429 G CA 0.480 45.480 45.100 -0.166 0.000 0.757 429 G HN 0.368 nan 8.290 nan 0.000 0.560 430 L N 0.491 121.661 121.223 -0.088 0.000 2.168 430 L HA 0.294 4.631 4.340 -0.005 0.000 0.203 430 L C 2.947 179.784 176.870 -0.055 0.000 1.078 430 L CA 1.485 56.283 54.840 -0.069 0.000 0.780 430 L CB -0.524 41.504 42.059 -0.053 0.000 0.939 430 L HN 0.166 nan 8.230 nan 0.000 0.451 431 G N -0.873 107.909 108.800 -0.031 0.000 2.450 431 G HA2 -0.302 3.655 3.960 -0.005 0.000 0.220 431 G HA3 -0.302 3.655 3.960 -0.005 0.000 0.220 431 G C 1.602 176.496 174.900 -0.011 0.000 1.130 431 G CA 0.875 45.974 45.100 -0.001 0.000 0.760 431 G HN 0.534 nan 8.290 nan 0.000 0.557 432 A N 0.677 123.482 122.820 -0.026 0.000 1.845 432 A HA -0.043 4.274 4.320 -0.005 0.000 0.215 432 A C 2.548 180.099 177.584 -0.055 0.000 1.195 432 A CA 2.561 54.590 52.037 -0.014 0.000 0.616 432 A CB -1.118 17.848 19.000 -0.057 0.000 0.832 432 A HN 0.310 nan 8.150 nan 0.000 0.443 433 T N 0.433 114.932 114.554 -0.092 0.000 2.929 433 T HA -0.009 4.338 4.350 -0.005 0.000 0.271 433 T C 1.719 176.301 174.700 -0.197 0.000 1.085 433 T CA 1.105 63.131 62.100 -0.124 0.000 1.125 433 T CB -0.252 68.546 68.868 -0.116 0.000 0.874 433 T HN 0.300 nan 8.240 nan 0.000 0.494 434 L N 0.193 121.291 121.223 -0.208 0.000 2.049 434 L HA 0.045 4.382 4.340 -0.005 0.000 0.203 434 L C 2.454 179.047 176.870 -0.461 0.000 1.074 434 L CA 0.894 55.495 54.840 -0.397 0.000 0.749 434 L CB -0.475 41.458 42.059 -0.210 0.000 0.907 434 L HN 0.241 nan 8.230 nan 0.000 0.439 435 L N -0.094 121.041 121.223 -0.148 0.000 2.201 435 L HA -0.120 4.217 4.340 -0.005 0.000 0.212 435 L C 2.722 179.566 176.870 -0.044 0.000 1.105 435 L CA 1.575 56.404 54.840 -0.019 0.000 0.775 435 L CB -1.315 40.780 42.059 0.060 0.000 0.913 435 L HN 0.207 nan 8.230 nan 0.000 0.440 436 A N -1.049 121.719 122.820 -0.087 0.000 2.014 436 A HA -0.215 4.101 4.320 -0.005 0.000 0.218 436 A C 2.268 179.795 177.584 -0.093 0.000 1.163 436 A CA 1.230 53.225 52.037 -0.069 0.000 0.652 436 A CB -0.283 18.674 19.000 -0.072 0.000 0.808 436 A HN 0.480 nan 8.150 nan 0.000 0.449 437 Q N -1.072 118.605 119.800 -0.205 0.000 1.994 437 Q HA -0.115 4.222 4.340 -0.005 0.000 0.198 437 Q C 1.234 177.197 176.000 -0.063 0.000 0.976 437 Q CA 1.403 57.078 55.803 -0.215 0.000 0.828 437 Q CB -0.205 28.285 28.738 -0.413 0.000 0.894 437 Q HN 0.577 nan 8.270 nan 0.000 0.432 438 F N 0.762 120.721 119.950 0.014 0.000 2.664 438 F HA -0.047 4.477 4.527 -0.006 0.000 0.297 438 F C 1.728 177.538 175.800 0.016 0.000 1.164 438 F CA 1.262 59.272 58.000 0.016 0.000 1.472 438 F CB -0.562 38.449 39.000 0.019 0.000 1.108 438 F HN 0.176 nan 8.300 nan 0.000 0.596 439 T N -4.018 110.627 114.554 0.151 0.000 3.228 439 T HA 0.479 4.825 4.350 -0.005 0.000 0.278 439 T C 1.404 176.140 174.700 0.060 0.000 1.014 439 T CA 0.124 62.284 62.100 0.100 0.000 0.904 439 T CB 0.024 68.937 68.868 0.074 0.000 1.110 439 T HN 0.378 nan 8.240 nan 0.000 0.541 440 G N 0.566 109.406 108.800 0.065 0.000 2.179 440 G HA2 -0.091 3.865 3.960 -0.005 0.000 0.257 440 G HA3 -0.091 3.865 3.960 -0.005 0.000 0.257 440 G C 0.489 175.398 174.900 0.015 0.000 1.010 440 G CA -0.178 44.948 45.100 0.042 0.000 0.736 440 G HN 1.083 nan 8.290 nan 0.000 0.513 441 G N -0.808 107.990 108.800 -0.004 0.000 2.537 441 G HA2 0.605 4.562 3.960 -0.005 0.000 0.273 441 G HA3 0.605 4.562 3.960 -0.005 0.000 0.273 441 G C -0.022 174.868 174.900 -0.016 0.000 1.189 441 G CA -0.384 44.702 45.100 -0.023 0.000 0.881 441 G HN 0.500 nan 8.290 nan 0.000 0.535 442 K N 0.631 121.023 120.400 -0.015 0.000 2.385 442 K HA 0.354 4.671 4.320 -0.005 0.000 0.248 442 K C -2.784 173.816 176.600 -0.000 0.000 0.955 442 K CA -1.833 54.455 56.287 0.002 0.000 0.816 442 K CB 2.500 35.012 32.500 0.020 0.000 1.250 442 K HN 0.119 nan 8.250 nan 0.000 0.434 443 P HA -0.086 nan 4.420 nan 0.000 0.254 443 P C 0.718 178.043 177.300 0.043 0.000 1.186 443 P CA 0.243 63.349 63.100 0.011 0.000 0.868 443 P CB 0.202 31.926 31.700 0.040 0.000 0.856 444 L N 3.102 124.332 121.223 0.011 0.000 2.357 444 L HA -0.258 4.079 4.340 -0.005 0.000 0.220 444 L C 1.182 178.198 176.870 0.243 0.000 1.123 444 L CA 1.877 56.760 54.840 0.072 0.000 0.782 444 L CB -0.299 41.764 42.059 0.006 0.000 0.910 444 L HN 0.525 nan 8.230 nan 0.000 0.442 445 H N -1.704 117.415 119.070 0.082 0.000 2.497 445 H HA 0.079 4.632 4.556 -0.005 0.000 0.282 445 H C 2.417 177.807 175.328 0.103 0.000 1.003 445 H CA 0.886 57.009 56.048 0.125 0.000 1.307 445 H CB 0.283 30.146 29.762 0.169 0.000 1.437 445 H HN 0.264 nan 8.280 nan 0.000 0.544 446 S N 0.119 115.941 115.700 0.204 0.000 2.388 446 S HA 0.030 4.497 4.470 -0.005 0.000 0.223 446 S C 2.367 177.032 174.600 0.108 0.000 1.034 446 S CA 0.603 58.886 58.200 0.139 0.000 0.963 446 S CB -0.120 63.158 63.200 0.130 0.000 0.827 446 S HN 0.493 nan 8.310 nan 0.000 0.481 447 A N 1.096 123.977 122.820 0.102 0.000 2.076 447 A HA -0.079 4.238 4.320 -0.005 0.000 0.220 447 A C 1.799 179.433 177.584 0.082 0.000 1.160 447 A CA 1.228 53.312 52.037 0.078 0.000 0.653 447 A CB -0.507 18.532 19.000 0.066 0.000 0.801 447 A HN 0.395 nan 8.150 nan 0.000 0.455 448 I N -1.465 119.172 120.570 0.110 0.000 2.852 448 I HA -0.001 4.165 4.170 -0.005 0.000 0.264 448 I C 1.995 178.155 176.117 0.071 0.000 1.179 448 I CA 0.344 61.707 61.300 0.105 0.000 1.480 448 I CB -0.275 37.817 38.000 0.153 0.000 1.111 448 I HN 0.330 nan 8.210 nan 0.000 0.441 449 L N 0.978 122.242 121.223 0.069 0.000 2.049 449 L HA 0.125 4.462 4.340 -0.005 0.000 0.203 449 L C 2.473 179.366 176.870 0.038 0.000 1.074 449 L CA 1.950 56.818 54.840 0.047 0.000 0.749 449 L CB -1.107 40.983 42.059 0.052 0.000 0.907 449 L HN 0.164 nan 8.230 nan 0.000 0.439 450 A N -0.481 122.365 122.820 0.043 0.000 2.084 450 A HA -0.201 4.115 4.320 -0.005 0.000 0.221 450 A C 2.340 179.937 177.584 0.021 0.000 1.161 450 A CA 1.503 53.557 52.037 0.028 0.000 0.653 450 A CB -0.495 18.523 19.000 0.029 0.000 0.802 450 A HN 0.440 nan 8.150 nan 0.000 0.457 451 R N -1.510 119.007 120.500 0.028 0.000 2.055 451 R HA -0.004 4.332 4.340 -0.005 0.000 0.221 451 R C 2.108 178.416 176.300 0.013 0.000 1.154 451 R CA 1.609 57.720 56.100 0.020 0.000 0.975 451 R CB -1.311 29.006 30.300 0.028 0.000 0.869 451 R HN 0.452 nan 8.270 nan 0.000 0.437 452 T N 1.942 116.507 114.554 0.018 0.000 2.977 452 T HA -0.085 4.261 4.350 -0.005 0.000 0.271 452 T C 1.528 176.233 174.700 0.009 0.000 1.105 452 T CA 0.776 62.884 62.100 0.013 0.000 1.116 452 T CB -0.052 68.824 68.868 0.014 0.000 0.878 452 T HN -0.057 nan 8.240 nan 0.000 0.509 453 L N 0.146 121.376 121.223 0.011 0.000 2.357 453 L HA 0.476 4.813 4.340 -0.005 0.000 0.211 453 L C 2.262 179.135 176.870 0.004 0.000 1.075 453 L CA 0.680 55.525 54.840 0.008 0.000 0.830 453 L CB -0.461 41.605 42.059 0.011 0.000 0.996 453 L HN 0.137 nan 8.230 nan 0.000 0.467 454 A N -1.687 121.135 122.820 0.003 0.000 2.238 454 A HA -0.018 4.298 4.320 -0.005 0.000 0.208 454 A C 2.010 179.593 177.584 -0.001 0.000 1.177 454 A CA 0.478 52.515 52.037 -0.000 0.000 0.804 454 A CB -0.344 18.656 19.000 -0.001 0.000 0.823 454 A HN 0.273 nan 8.150 nan 0.000 0.482 455 K N -0.768 119.632 120.400 -0.000 0.000 2.358 455 K HA 0.163 4.480 4.320 -0.005 0.000 0.197 455 K C 1.128 177.729 176.600 0.002 0.000 1.025 455 K CA 0.053 56.338 56.287 -0.003 0.000 1.104 455 K CB 0.185 32.680 32.500 -0.008 0.000 0.855 455 K HN 0.451 nan 8.250 nan 0.000 0.531 456 Q N -0.514 119.288 119.800 0.004 0.000 2.281 456 Q HA 0.057 4.394 4.340 -0.005 0.000 0.215 456 Q C 0.711 176.714 176.000 0.005 0.000 0.867 456 Q CA 0.326 56.132 55.803 0.006 0.000 0.940 456 Q CB 0.978 29.720 28.738 0.007 0.000 1.111 456 Q HN 0.270 nan 8.270 nan 0.000 0.513 457 E N -0.393 119.809 120.200 0.003 0.000 2.434 457 E HA 0.148 4.495 4.350 -0.005 0.000 0.207 457 E C 0.285 176.886 176.600 0.002 0.000 0.929 457 E CA -0.009 56.393 56.400 0.002 0.000 1.001 457 E CB 0.783 30.483 29.700 0.000 0.000 1.016 457 E HN 0.050 nan 8.360 nan 0.000 0.502 458 A N 2.102 124.923 122.820 0.001 0.000 2.929 458 A HA 0.061 4.378 4.320 -0.005 0.000 0.279 458 A C 0.297 177.883 177.584 0.003 0.000 1.418 458 A CA -0.052 51.985 52.037 0.001 0.000 1.035 458 A CB -0.600 18.399 19.000 -0.002 0.000 1.047 458 A HN 0.254 nan 8.150 nan 0.000 0.609 459 E N -1.279 118.924 120.200 0.005 0.000 3.640 459 E HA 0.288 4.635 4.350 -0.005 0.000 0.157 459 E C -0.793 175.812 176.600 0.008 0.000 0.974 459 E CA -0.397 56.008 56.400 0.008 0.000 1.465 459 E CB -0.181 29.525 29.700 0.011 0.000 1.098 459 E HN 0.306 nan 8.360 nan 0.000 0.414 460 Q N 0.000 119.804 119.800 0.006 0.000 2.315 460 Q HA 0.000 4.337 4.340 -0.005 0.000 0.214 460 Q CA 0.000 55.807 55.803 0.006 0.000 1.022 460 Q CB 0.000 28.741 28.738 0.005 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481