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 2x11_1_A DATA FIRST_RESID 27 DATA SEQUENCE KEVVLLDFAA AGGELGWLTH PYGKGWDLMQ NIMNDMPIYM YSVcNVMSGD DATA SEQUENCE QDNWLRTNWV YRGEAERIFI ELKFTVRDcN SFPGGASScK ETFNLYYAES DATA SEQUENCE DLDYGTNFQK RLFTKIDTIA PDEITVSSDF EARHVKLNVE ERSVGPLTRK DATA SEQUENCE GFYLAFQDIG AcVALLSVRV YYKKcPELLQ GLAHFPETIA GSDAPSLATV DATA SEQUENCE AGTcVDHAVV PPXXEEPRMH cAVDGEWLVP IGQcLcQAGY EKVEDAcQAc DATA SEQUENCE SPGFFKFEAS ESPcLEcPEH TLPSPEGATS cEcEEGFFRA PQDPASMPcT DATA SEQUENCE RPPSAPHYLT AVGMGAKVEL RWTPPQDSGG REDIVYSVTc EQcWPXSGEc DATA SEQUENCE GPcEASVRYS EPPHGLTRTS VTVSDLEPHM NYTFTVEARN GVSGLVTSRS DATA SEQUENCE FRTASVXXXX XEPPKVRLEG RSTXSLSVSW SIPPPQQSRV WKYEVTYRKK DATA SEQUENCE XXSNSYNVRR TEGFSVTLDD LAPDTTYLVQ VQALTQXXXG AGSKVHEFQT DATA SEQUENCE LS 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 27 K HA 0.000 nan 4.320 nan 0.000 0.191 27 K C 0.000 176.536 176.600 -0.107 0.000 0.988 27 K CA 0.000 56.244 56.287 -0.071 0.000 0.838 27 K CB 0.000 32.477 32.500 -0.038 0.000 1.064 28 E N 1.483 121.599 120.200 -0.141 0.000 2.197 28 E HA 0.452 4.847 4.350 0.076 0.000 0.281 28 E C -0.647 175.840 176.600 -0.188 0.000 0.995 28 E CA -0.912 55.390 56.400 -0.164 0.000 0.808 28 E CB 1.978 31.486 29.700 -0.320 0.000 1.093 28 E HN 0.313 nan 8.360 nan 0.000 0.394 29 V N 4.088 123.821 119.914 -0.302 0.000 2.350 29 V HA 0.127 4.292 4.120 0.076 0.000 0.276 29 V C 0.017 176.059 176.094 -0.087 0.000 1.028 29 V CA -0.787 61.334 62.300 -0.298 0.000 0.860 29 V CB 1.294 32.747 31.823 -0.615 0.000 0.990 29 V HN 0.449 nan 8.190 nan 0.000 0.453 30 V N 6.945 126.876 119.914 0.029 0.000 2.530 30 V HA 0.228 4.393 4.120 0.076 0.000 0.282 30 V C 0.881 177.084 176.094 0.182 0.000 1.048 30 V CA 0.054 62.440 62.300 0.142 0.000 0.997 30 V CB 1.257 33.140 31.823 0.100 0.000 0.987 30 V HN 0.757 nan 8.190 nan 0.000 0.477 31 L N 4.400 125.772 121.223 0.249 0.000 2.537 31 L HA 0.405 4.790 4.340 0.076 0.000 0.224 31 L C 0.012 176.995 176.870 0.189 0.000 1.065 31 L CA 0.565 55.540 54.840 0.226 0.000 0.860 31 L CB 0.488 42.716 42.059 0.281 0.000 1.086 31 L HN 0.461 nan 8.230 nan 0.000 0.482 32 L N -0.385 120.980 121.223 0.237 0.000 2.526 32 L HA 0.526 4.912 4.340 0.076 0.000 0.263 32 L C -1.993 175.054 176.870 0.296 0.000 0.943 32 L CA -0.123 54.875 54.840 0.264 0.000 0.859 32 L CB 2.052 44.286 42.059 0.292 0.000 1.313 32 L HN -0.211 nan 8.230 nan 0.000 0.406 33 D N 3.234 123.803 120.400 0.282 0.000 2.328 33 D HA 0.115 4.801 4.640 0.076 0.000 0.243 33 D C 0.312 176.762 176.300 0.249 0.000 1.324 33 D CA -0.298 53.857 54.000 0.258 0.000 0.966 33 D CB 0.716 41.613 40.800 0.162 0.000 1.324 33 D HN 0.410 nan 8.370 nan 0.000 0.549 34 F N 3.730 123.794 119.950 0.189 0.000 2.069 34 F HA -0.092 4.480 4.527 0.075 0.000 0.298 34 F C 1.997 177.796 175.800 -0.001 0.000 1.113 34 F CA 2.138 60.176 58.000 0.062 0.000 1.214 34 F CB 0.011 39.042 39.000 0.051 0.000 0.978 34 F HN 0.399 nan 8.300 nan 0.000 0.474 35 A N 0.140 122.984 122.820 0.041 0.000 2.076 35 A HA -0.022 4.344 4.320 0.076 0.000 0.220 35 A C 2.210 179.714 177.584 -0.132 0.000 1.160 35 A CA 1.575 53.566 52.037 -0.076 0.000 0.653 35 A CB -1.434 17.627 19.000 0.103 0.000 0.801 35 A HN 0.541 nan 8.150 nan 0.000 0.455 36 A N -1.045 121.725 122.820 -0.083 0.000 2.178 36 A HA 0.510 4.876 4.320 0.076 0.000 0.211 36 A C 2.047 179.560 177.584 -0.117 0.000 1.157 36 A CA 1.038 53.036 52.037 -0.065 0.000 0.780 36 A CB -0.418 18.578 19.000 -0.006 0.000 0.828 36 A HN 0.891 nan 8.150 nan 0.000 0.476 37 A N -1.145 121.547 122.820 -0.213 0.000 2.208 37 A HA 0.406 4.772 4.320 0.076 0.000 0.209 37 A C 1.752 179.148 177.584 -0.312 0.000 1.161 37 A CA 1.007 52.904 52.037 -0.234 0.000 0.782 37 A CB -0.909 17.938 19.000 -0.254 0.000 0.816 37 A HN 1.710 nan 8.150 nan 0.000 0.477 38 G N -1.349 107.247 108.800 -0.340 0.000 2.249 38 G HA2 0.116 4.121 3.960 0.076 0.000 0.273 38 G HA3 0.116 4.121 3.960 0.076 0.000 0.273 38 G C 1.376 175.808 174.900 -0.780 0.000 1.036 38 G CA 0.760 45.671 45.100 -0.315 0.000 0.824 38 G HN 2.074 nan 8.290 nan 0.000 0.504 39 G N -1.237 106.915 108.800 -1.080 0.000 2.176 39 G HA2 -0.242 3.763 3.960 0.076 0.000 0.252 39 G HA3 -0.242 3.763 3.960 0.076 0.000 0.252 39 G C 0.476 174.912 174.900 -0.774 0.000 1.024 39 G CA 1.012 45.247 45.100 -1.441 0.000 0.755 39 G HN 0.867 nan 8.290 nan 0.000 0.507 40 E N -0.914 118.993 120.200 -0.489 0.000 2.481 40 E HA 0.315 4.711 4.350 0.076 0.000 0.198 40 E C 2.371 178.883 176.600 -0.147 0.000 1.027 40 E CA -0.369 55.876 56.400 -0.258 0.000 0.900 40 E CB 0.221 29.813 29.700 -0.180 0.000 0.993 40 E HN 0.565 nan 8.360 nan 0.000 0.482 41 L N 0.140 121.252 121.223 -0.185 0.000 2.109 41 L HA 0.044 4.429 4.340 0.076 0.000 0.207 41 L C 1.230 178.141 176.870 0.069 0.000 1.086 41 L CA 0.722 55.527 54.840 -0.058 0.000 0.760 41 L CB -0.514 41.420 42.059 -0.208 0.000 0.910 41 L HN 0.250 nan 8.230 nan 0.000 0.437 42 G N 0.309 109.139 108.800 0.051 0.000 2.363 42 G HA2 -0.240 3.765 3.960 0.076 0.000 0.286 42 G HA3 -0.240 3.765 3.960 0.076 0.000 0.286 42 G C -0.369 174.741 174.900 0.349 0.000 0.975 42 G CA -0.287 44.928 45.100 0.191 0.000 1.309 42 G HN 0.126 nan 8.290 nan 0.000 0.491 43 W N 0.306 121.759 121.300 0.254 0.000 2.184 43 W HA 0.543 5.248 4.660 0.076 0.000 0.338 43 W C 0.985 177.500 176.519 -0.008 0.000 1.257 43 W CA -1.510 55.875 57.345 0.067 0.000 1.243 43 W CB 0.449 29.829 29.460 -0.132 0.000 1.122 43 W HN 0.467 nan 8.180 nan 0.000 0.585 44 L N 3.368 124.694 121.223 0.171 0.000 2.367 44 L HA 0.334 4.719 4.340 0.076 0.000 0.275 44 L C 0.597 177.416 176.870 -0.085 0.000 1.129 44 L CA 0.199 55.060 54.840 0.036 0.000 0.839 44 L CB 0.452 42.496 42.059 -0.025 0.000 1.133 44 L HN 0.484 nan 8.230 nan 0.000 0.453 45 T N 0.755 115.301 114.554 -0.014 0.000 2.912 45 T HA 0.528 4.923 4.350 0.076 0.000 0.288 45 T C -0.892 173.845 174.700 0.062 0.000 1.030 45 T CA -0.707 61.395 62.100 0.003 0.000 1.020 45 T CB 1.575 70.506 68.868 0.105 0.000 1.056 45 T HN 0.785 nan 8.240 nan 0.000 0.480 46 H N 1.394 120.452 119.070 -0.019 0.000 3.026 46 H HA 0.516 5.118 4.556 0.076 0.000 0.352 46 H C -3.046 172.390 175.328 0.180 0.000 1.090 46 H CA -1.387 54.686 56.048 0.042 0.000 1.268 46 H CB 2.225 31.932 29.762 -0.092 0.000 1.816 46 H HN 0.494 nan 8.280 nan 0.000 0.518 47 P HA 0.017 nan 4.420 nan 0.000 0.274 47 P C -0.662 176.607 177.300 -0.053 0.000 1.246 47 P CA -0.323 62.464 63.100 -0.521 0.000 0.795 47 P CB 0.592 32.079 31.700 -0.356 0.000 1.006 48 Y N 1.432 121.707 120.300 -0.041 0.000 2.849 48 Y HA 0.152 4.747 4.550 0.076 0.000 0.362 48 Y C 1.410 177.323 175.900 0.023 0.000 1.320 48 Y CA 1.308 59.426 58.100 0.029 0.000 1.678 48 Y CB -1.256 37.230 38.460 0.045 0.000 1.220 48 Y HN 0.823 nan 8.280 nan 0.000 0.518 49 G N 3.376 111.911 108.800 -0.442 0.000 2.295 49 G HA2 -0.257 3.748 3.960 0.076 0.000 0.287 49 G HA3 -0.257 3.748 3.960 0.076 0.000 0.287 49 G C 0.348 175.113 174.900 -0.225 0.000 1.055 49 G CA 0.737 45.565 45.100 -0.454 0.000 0.922 49 G HN 1.168 nan 8.290 nan 0.000 0.503 50 K N -1.726 118.607 120.400 -0.113 0.000 2.567 50 K HA 0.713 5.079 4.320 0.076 0.000 0.199 50 K C 2.160 178.725 176.600 -0.059 0.000 1.412 50 K CA 1.399 57.642 56.287 -0.074 0.000 1.020 50 K CB -0.373 32.091 32.500 -0.060 0.000 1.487 50 K HN 1.378 nan 8.250 nan 0.000 0.531 51 G N 0.207 108.993 108.800 -0.024 0.000 2.908 51 G HA2 0.371 4.376 3.960 0.076 0.000 0.188 51 G HA3 0.371 4.376 3.960 0.076 0.000 0.188 51 G C -0.007 174.860 174.900 -0.056 0.000 1.903 51 G CA 0.005 45.069 45.100 -0.061 0.000 0.883 51 G HN 0.444 nan 8.290 nan 0.000 0.515 52 W N 1.271 122.566 121.300 -0.008 0.000 2.158 52 W HA 0.459 5.165 4.660 0.076 0.000 0.339 52 W C -0.100 176.485 176.519 0.109 0.000 1.294 52 W CA -0.050 57.318 57.345 0.038 0.000 1.231 52 W CB 0.460 29.926 29.460 0.010 0.000 1.143 52 W HN 0.084 nan 8.180 nan 0.000 0.571 53 D N 1.309 121.932 120.400 0.372 0.000 2.575 53 D HA 0.216 4.902 4.640 0.076 0.000 0.236 53 D C -1.323 175.136 176.300 0.265 0.000 1.075 53 D CA -0.885 53.280 54.000 0.275 0.000 0.860 53 D CB 2.597 43.468 40.800 0.119 0.000 1.475 53 D HN 0.134 nan 8.370 nan 0.000 0.474 54 L N 3.289 124.585 121.223 0.122 0.000 2.312 54 L HA 0.243 4.629 4.340 0.076 0.000 0.287 54 L C -0.570 176.277 176.870 -0.038 0.000 1.091 54 L CA 0.041 54.782 54.840 -0.165 0.000 0.846 54 L CB -0.053 41.883 42.059 -0.206 0.000 1.219 54 L HN 0.228 nan 8.230 nan 0.000 0.439 55 M N 4.428 124.007 119.600 -0.035 0.000 2.444 55 M HA 0.430 4.956 4.480 0.076 0.000 0.319 55 M C -0.337 175.922 176.300 -0.069 0.000 1.183 55 M CA -0.278 55.008 55.300 -0.024 0.000 1.032 55 M CB 1.611 34.205 32.600 -0.009 0.000 1.569 55 M HN 0.619 nan 8.290 nan 0.000 0.468 56 Q N 1.330 121.044 119.800 -0.143 0.000 2.347 56 Q HA 0.685 5.071 4.340 0.076 0.000 0.271 56 Q C -1.442 174.420 176.000 -0.231 0.000 1.064 56 Q CA -0.927 54.677 55.803 -0.332 0.000 0.800 56 Q CB 2.910 31.339 28.738 -0.515 0.000 1.304 56 Q HN 0.599 nan 8.270 nan 0.000 0.438 57 N N 1.206 119.762 118.700 -0.241 0.000 3.039 57 N HA 0.507 5.293 4.740 0.076 0.000 0.257 57 N C -1.453 173.969 175.510 -0.147 0.000 1.497 57 N CA -0.517 52.441 53.050 -0.152 0.000 0.861 57 N CB 1.930 40.357 38.487 -0.101 0.000 1.479 57 N HN 0.566 nan 8.380 nan 0.000 0.547 58 I N 1.673 122.182 120.570 -0.101 0.000 2.378 58 I HA 0.461 4.676 4.170 0.076 0.000 0.291 58 I C -0.091 175.990 176.117 -0.061 0.000 0.992 58 I CA -0.238 61.014 61.300 -0.081 0.000 1.154 58 I CB 1.053 39.014 38.000 -0.066 0.000 1.315 58 I HN 0.472 nan 8.210 nan 0.000 0.448 59 M N 6.707 126.276 119.600 -0.051 0.000 2.326 59 M HA 0.382 4.908 4.480 0.076 0.000 0.292 59 M C -0.500 175.783 176.300 -0.027 0.000 1.081 59 M CA -0.151 55.127 55.300 -0.036 0.000 0.919 59 M CB 1.141 33.724 32.600 -0.029 0.000 1.634 59 M HN 0.575 nan 8.290 nan 0.000 0.451 60 N N 2.959 121.646 118.700 -0.022 0.000 2.725 60 N HA -0.178 4.608 4.740 0.076 0.000 0.249 60 N C -0.885 174.612 175.510 -0.020 0.000 1.103 60 N CA 1.520 54.560 53.050 -0.018 0.000 0.707 60 N CB -1.289 37.191 38.487 -0.012 0.000 1.043 60 N HN 0.965 nan 8.380 nan 0.000 0.553 61 D N -2.660 117.725 120.400 -0.025 0.000 3.059 61 D HA -0.201 4.485 4.640 0.076 0.000 0.220 61 D C -0.110 176.173 176.300 -0.028 0.000 1.169 61 D CA 1.053 55.038 54.000 -0.026 0.000 0.902 61 D CB -0.778 40.010 40.800 -0.021 0.000 1.116 61 D HN 0.431 nan 8.370 nan 0.000 0.417 62 M N -0.288 119.293 119.600 -0.032 0.000 2.465 62 M HA 0.378 4.903 4.480 0.076 0.000 0.316 62 M C -2.445 173.824 176.300 -0.053 0.000 1.121 62 M CA -2.007 53.273 55.300 -0.033 0.000 0.934 62 M CB 1.698 34.284 32.600 -0.023 0.000 1.692 62 M HN -0.346 nan 8.290 nan 0.000 0.444 63 P HA 0.394 nan 4.420 nan 0.000 0.282 63 P C -0.998 176.232 177.300 -0.117 0.000 1.274 63 P CA -0.191 62.843 63.100 -0.111 0.000 0.770 63 P CB -0.048 31.599 31.700 -0.088 0.000 0.867 64 I N 0.762 121.221 120.570 -0.185 0.000 2.892 64 I HA 0.627 4.842 4.170 0.076 0.000 0.306 64 I C -1.086 174.864 176.117 -0.278 0.000 1.078 64 I CA -1.461 59.767 61.300 -0.119 0.000 1.032 64 I CB 1.986 39.962 38.000 -0.040 0.000 1.229 64 I HN 0.086 nan 8.210 nan 0.000 0.435 65 Y N 3.539 123.784 120.300 -0.091 0.000 2.587 65 Y HA 0.814 5.410 4.550 0.076 0.000 0.337 65 Y C 0.130 176.096 175.900 0.110 0.000 1.065 65 Y CA -0.824 57.233 58.100 -0.072 0.000 1.126 65 Y CB 2.089 40.422 38.460 -0.213 0.000 1.279 65 Y HN 0.725 nan 8.280 nan 0.000 0.489 66 M N 0.306 120.048 119.600 0.237 0.000 2.523 66 M HA 0.468 4.993 4.480 0.076 0.000 0.287 66 M C -2.602 173.670 176.300 -0.047 0.000 1.160 66 M CA -0.811 54.581 55.300 0.153 0.000 0.902 66 M CB 1.858 34.522 32.600 0.106 0.000 1.752 66 M HN 0.499 nan 8.290 nan 0.000 0.504 67 Y N 1.731 122.022 120.300 -0.014 0.000 2.341 67 Y HA 0.686 5.282 4.550 0.076 0.000 0.340 67 Y C 0.273 176.307 175.900 0.223 0.000 0.997 67 Y CA 0.168 58.314 58.100 0.077 0.000 1.149 67 Y CB 1.620 40.045 38.460 -0.059 0.000 1.171 67 Y HN 0.796 nan 8.280 nan 0.000 0.494 68 S N 2.334 118.247 115.700 0.355 0.000 2.570 68 S HA 0.872 5.387 4.470 0.076 0.000 0.286 68 S C -1.456 173.124 174.600 -0.034 0.000 1.099 68 S CA -0.857 57.437 58.200 0.157 0.000 0.913 68 S CB 2.012 65.256 63.200 0.073 0.000 1.085 68 S HN 0.547 nan 8.310 nan 0.000 0.480 69 V N 0.678 120.417 119.914 -0.291 0.000 2.817 69 V HA 0.663 4.828 4.120 0.076 0.000 0.303 69 V C -1.350 174.564 176.094 -0.301 0.000 1.151 69 V CA -0.447 61.600 62.300 -0.421 0.000 0.929 69 V CB 1.571 32.835 31.823 -0.931 0.000 1.030 69 V HN 1.315 nan 8.190 nan 0.000 0.427 70 c N 6.545 125.024 118.600 -0.201 0.000 3.359 70 c HA 0.491 5.106 4.570 0.076 0.000 0.194 70 c C 0.101 174.081 174.090 -0.182 0.000 1.659 70 c CA -0.650 55.592 56.329 -0.145 0.000 1.338 70 c CB -1.171 41.321 42.510 -0.031 0.000 2.109 70 c HN 0.856 nan 8.230 nan 0.000 0.518 71 N N 1.477 120.052 118.700 -0.209 0.000 3.298 71 N HA 0.078 4.864 4.740 0.076 0.000 0.292 71 N C 1.228 176.609 175.510 -0.214 0.000 1.271 71 N CA 0.099 53.035 53.050 -0.190 0.000 1.184 71 N CB 0.863 39.251 38.487 -0.166 0.000 1.452 71 N HN 0.658 nan 8.380 nan 0.000 0.534 72 V N -2.572 117.160 119.914 -0.304 0.000 3.623 72 V HA 0.167 4.332 4.120 0.076 0.000 0.271 72 V C 1.330 177.244 176.094 -0.300 0.000 1.248 72 V CA 0.676 62.751 62.300 -0.375 0.000 1.156 72 V CB -0.195 31.167 31.823 -0.768 0.000 0.870 72 V HN 0.231 nan 8.190 nan 0.000 0.453 73 M N 0.098 119.559 119.600 -0.232 0.000 2.337 73 M HA 0.297 4.823 4.480 0.076 0.000 0.256 73 M C 1.424 177.661 176.300 -0.107 0.000 1.075 73 M CA 0.457 55.662 55.300 -0.159 0.000 1.024 73 M CB 0.343 32.861 32.600 -0.137 0.000 1.429 73 M HN 0.431 nan 8.290 nan 0.000 0.497 74 S N 0.238 115.874 115.700 -0.106 0.000 2.557 74 S HA 0.467 4.983 4.470 0.076 0.000 0.223 74 S C 1.180 175.743 174.600 -0.061 0.000 0.969 74 S CA 0.306 58.460 58.200 -0.076 0.000 0.927 74 S CB 0.346 63.500 63.200 -0.077 0.000 0.806 74 S HN 0.687 nan 8.310 nan 0.000 0.489 75 G N 2.107 110.869 108.800 -0.064 0.000 2.512 75 G HA2 -0.210 3.795 3.960 0.076 0.000 0.254 75 G HA3 -0.210 3.795 3.960 0.076 0.000 0.254 75 G C -0.204 174.672 174.900 -0.039 0.000 1.199 75 G CA -0.283 44.790 45.100 -0.045 0.000 0.941 75 G HN 0.649 nan 8.290 nan 0.000 0.569 76 D N 1.172 121.559 120.400 -0.022 0.000 2.426 76 D HA 0.464 5.149 4.640 0.076 0.000 0.261 76 D C 0.607 176.899 176.300 -0.014 0.000 1.245 76 D CA 1.208 55.202 54.000 -0.010 0.000 0.917 76 D CB 0.045 40.848 40.800 0.005 0.000 1.123 76 D HN 0.603 nan 8.370 nan 0.000 0.508 77 Q N 1.043 120.830 119.800 -0.021 0.000 2.306 77 Q HA 0.552 4.937 4.340 0.076 0.000 0.265 77 Q C -1.192 174.808 176.000 0.001 0.000 1.022 77 Q CA -0.624 55.161 55.803 -0.031 0.000 0.853 77 Q CB 2.263 30.953 28.738 -0.079 0.000 1.327 77 Q HN 0.689 nan 8.270 nan 0.000 0.449 78 D N 1.640 122.057 120.400 0.028 0.000 2.823 78 D HA 0.172 4.858 4.640 0.076 0.000 0.255 78 D C -1.230 175.171 176.300 0.169 0.000 1.257 78 D CA -0.247 53.815 54.000 0.104 0.000 0.803 78 D CB 0.187 41.110 40.800 0.205 0.000 1.384 78 D HN 0.282 nan 8.370 nan 0.000 0.541 79 N N 1.476 120.204 118.700 0.047 0.000 2.421 79 N HA 0.350 5.136 4.740 0.076 0.000 0.285 79 N C -0.796 174.893 175.510 0.299 0.000 1.027 79 N CA -0.188 52.961 53.050 0.165 0.000 0.918 79 N CB 1.011 39.463 38.487 -0.058 0.000 1.152 79 N HN 0.206 nan 8.380 nan 0.000 0.485 80 W N 1.712 123.190 121.300 0.297 0.000 2.587 80 W HA 0.473 5.178 4.660 0.075 0.000 0.324 80 W C -0.331 176.072 176.519 -0.194 0.000 1.040 80 W CA -0.742 56.648 57.345 0.075 0.000 1.222 80 W CB 1.106 30.510 29.460 -0.092 0.000 1.381 80 W HN 0.243 nan 8.180 nan 0.000 0.483 81 L N 4.854 125.893 121.223 -0.306 0.000 2.318 81 L HA 0.524 4.909 4.340 0.076 0.000 0.277 81 L C -0.351 176.301 176.870 -0.364 0.000 1.008 81 L CA -0.847 53.664 54.840 -0.548 0.000 0.846 81 L CB 0.667 41.998 42.059 -1.214 0.000 1.220 81 L HN 0.418 nan 8.230 nan 0.000 0.423 82 R N 2.952 123.213 120.500 -0.397 0.000 2.294 82 R HA 0.492 4.877 4.340 0.076 0.000 0.319 82 R C -0.216 175.807 176.300 -0.462 0.000 0.984 82 R CA -0.143 55.742 56.100 -0.359 0.000 0.861 82 R CB 1.103 31.196 30.300 -0.345 0.000 1.104 82 R HN 0.823 nan 8.270 nan 0.000 0.451 83 T N 1.117 115.266 114.554 -0.675 0.000 2.766 83 T HA 0.077 4.473 4.350 0.076 0.000 0.295 83 T C 0.457 174.975 174.700 -0.304 0.000 1.024 83 T CA -0.715 60.645 62.100 -1.233 0.000 1.018 83 T CB 0.436 68.717 68.868 -0.979 0.000 1.002 83 T HN 0.720 nan 8.240 nan 0.000 0.532 84 N N -0.509 118.122 118.700 -0.114 0.000 2.267 84 N HA 0.041 4.827 4.740 0.076 0.000 0.226 84 N C -0.892 174.750 175.510 0.221 0.000 1.314 84 N CA -0.726 52.475 53.050 0.252 0.000 0.887 84 N CB 0.025 38.711 38.487 0.331 0.000 1.120 84 N HN 0.848 nan 8.380 nan 0.000 0.440 85 W N 1.085 122.399 121.300 0.023 0.000 2.303 85 W HA 0.343 5.049 4.660 0.077 0.000 0.318 85 W C -1.121 175.185 176.519 -0.356 0.000 1.362 85 W CA -0.684 56.403 57.345 -0.430 0.000 1.234 85 W CB 0.251 29.491 29.460 -0.367 0.000 1.248 85 W HN 0.261 nan 8.180 nan 0.000 0.546 86 V N 9.199 128.424 119.914 -1.148 0.000 2.328 86 V HA 0.026 4.192 4.120 0.076 0.000 0.278 86 V C -0.372 174.938 176.094 -1.307 0.000 1.021 86 V CA -1.123 60.531 62.300 -1.077 0.000 0.838 86 V CB 0.143 31.197 31.823 -1.281 0.000 0.999 86 V HN 0.336 nan 8.190 nan 0.000 0.447 87 Y N 4.979 124.700 120.300 -0.965 0.000 2.650 87 Y HA 0.046 4.641 4.550 0.076 0.000 0.331 87 Y C 1.547 177.191 175.900 -0.427 0.000 1.165 87 Y CA 0.452 58.087 58.100 -0.775 0.000 1.473 87 Y CB 0.362 38.601 38.460 -0.368 0.000 1.224 87 Y HN 0.679 nan 8.280 nan 0.000 0.533 88 R N 4.204 124.259 120.500 -0.743 0.000 2.066 88 R HA 0.071 4.456 4.340 0.076 0.000 0.232 88 R C 1.581 177.662 176.300 -0.366 0.000 1.131 88 R CA 1.383 57.264 56.100 -0.363 0.000 0.955 88 R CB -0.611 29.517 30.300 -0.287 0.000 0.851 88 R HN 1.114 nan 8.270 nan 0.000 0.432 89 G N 0.623 109.047 108.800 -0.627 0.000 2.543 89 G HA2 -0.435 3.571 3.960 0.076 0.000 0.286 89 G HA3 -0.435 3.571 3.960 0.076 0.000 0.286 89 G C 0.317 175.092 174.900 -0.209 0.000 1.153 89 G CA 0.544 45.522 45.100 -0.204 0.000 0.968 89 G HN 0.620 nan 8.290 nan 0.000 0.544 90 E N 1.044 121.114 120.200 -0.218 0.000 2.476 90 E HA 0.605 5.000 4.350 0.076 0.000 0.196 90 E C 0.994 177.328 176.600 -0.442 0.000 1.029 90 E CA 0.429 56.686 56.400 -0.238 0.000 0.896 90 E CB 0.457 30.090 29.700 -0.111 0.000 1.012 90 E HN 1.131 nan 8.360 nan 0.000 0.475 91 A N 1.467 123.895 122.820 -0.653 0.000 2.450 91 A HA 0.104 4.470 4.320 0.076 0.000 0.255 91 A C 0.519 177.884 177.584 -0.365 0.000 1.096 91 A CA -0.231 51.365 52.037 -0.734 0.000 0.778 91 A CB 0.508 19.108 19.000 -0.665 0.000 1.031 91 A HN 0.311 nan 8.150 nan 0.000 0.494 92 E N 1.114 121.152 120.200 -0.270 0.000 2.207 92 E HA 0.077 4.473 4.350 0.076 0.000 0.197 92 E C 0.756 177.216 176.600 -0.234 0.000 0.914 92 E CA 0.088 56.364 56.400 -0.207 0.000 0.914 92 E CB 0.330 29.944 29.700 -0.144 0.000 0.893 92 E HN 0.694 nan 8.360 nan 0.000 0.479 93 R N 2.082 122.458 120.500 -0.207 0.000 2.360 93 R HA 0.335 4.720 4.340 0.076 0.000 0.318 93 R C -0.725 175.373 176.300 -0.337 0.000 0.950 93 R CA -0.316 55.594 56.100 -0.317 0.000 0.837 93 R CB 0.570 30.682 30.300 -0.314 0.000 1.165 93 R HN 0.066 nan 8.270 nan 0.000 0.458 94 I N 0.671 120.959 120.570 -0.469 0.000 2.488 94 I HA 0.504 4.720 4.170 0.076 0.000 0.299 94 I C -1.193 174.560 176.117 -0.608 0.000 0.984 94 I CA -0.806 60.265 61.300 -0.381 0.000 1.250 94 I CB 1.229 38.992 38.000 -0.394 0.000 1.389 94 I HN 0.384 nan 8.210 nan 0.000 0.488 95 F N 5.345 125.011 119.950 -0.473 0.000 2.444 95 F HA 0.583 5.155 4.527 0.074 0.000 0.342 95 F C -0.031 175.542 175.800 -0.380 0.000 1.121 95 F CA -0.575 57.104 58.000 -0.535 0.000 0.997 95 F CB 1.681 40.150 39.000 -0.885 0.000 1.130 95 F HN 0.289 nan 8.300 nan 0.000 0.454 96 I N 2.942 123.506 120.570 -0.010 0.000 2.330 96 I HA 0.244 4.460 4.170 0.076 0.000 0.289 96 I C -0.347 175.896 176.117 0.210 0.000 1.001 96 I CA -0.437 60.929 61.300 0.111 0.000 1.193 96 I CB 1.413 39.459 38.000 0.077 0.000 1.345 96 I HN 0.596 nan 8.210 nan 0.000 0.461 97 E N 7.841 128.217 120.200 0.294 0.000 2.113 97 E HA 0.494 4.889 4.350 0.076 0.000 0.273 97 E C -1.402 175.386 176.600 0.314 0.000 0.924 97 E CA -0.589 55.994 56.400 0.305 0.000 0.764 97 E CB 1.143 31.043 29.700 0.333 0.000 1.104 97 E HN 0.553 nan 8.360 nan 0.000 0.406 98 L N 4.403 125.824 121.223 0.331 0.000 2.322 98 L HA 0.511 4.896 4.340 0.076 0.000 0.281 98 L C -0.174 176.961 176.870 0.441 0.000 1.014 98 L CA -0.788 54.289 54.840 0.394 0.000 0.815 98 L CB 1.635 43.958 42.059 0.441 0.000 1.247 98 L HN 0.352 nan 8.230 nan 0.000 0.421 99 K N 4.219 124.851 120.400 0.386 0.000 2.345 99 K HA 0.753 5.118 4.320 0.076 0.000 0.255 99 K C -1.214 175.604 176.600 0.362 0.000 0.934 99 K CA -0.494 55.962 56.287 0.283 0.000 0.801 99 K CB 2.200 34.799 32.500 0.164 0.000 1.137 99 K HN 0.446 nan 8.250 nan 0.000 0.424 100 F N -1.785 118.230 119.950 0.109 0.000 2.773 100 F HA 0.503 5.075 4.527 0.075 0.000 0.314 100 F C -1.009 174.841 175.800 0.084 0.000 1.160 100 F CA -1.090 56.965 58.000 0.091 0.000 0.920 100 F CB 1.226 40.310 39.000 0.140 0.000 1.323 100 F HN 0.398 nan 8.300 nan 0.000 0.457 101 T N -0.424 114.255 114.554 0.208 0.000 2.908 101 T HA 0.848 5.244 4.350 0.076 0.000 0.290 101 T C -1.529 173.330 174.700 0.264 0.000 1.034 101 T CA -0.836 61.326 62.100 0.102 0.000 1.010 101 T CB 1.729 70.610 68.868 0.021 0.000 1.068 101 T HN 0.863 nan 8.240 nan 0.000 0.481 102 V N 1.740 121.780 119.914 0.211 0.000 2.638 102 V HA 0.606 4.772 4.120 0.076 0.000 0.306 102 V C -0.045 176.145 176.094 0.160 0.000 1.052 102 V CA -1.114 61.329 62.300 0.239 0.000 0.885 102 V CB 1.942 33.961 31.823 0.325 0.000 0.999 102 V HN 1.049 nan 8.190 nan 0.000 0.424 103 R N 2.100 122.704 120.500 0.175 0.000 2.404 103 R HA 0.328 4.713 4.340 0.076 0.000 0.291 103 R C -0.286 176.082 176.300 0.112 0.000 1.025 103 R CA -0.597 55.589 56.100 0.144 0.000 0.991 103 R CB 0.965 31.374 30.300 0.182 0.000 1.053 103 R HN 0.810 nan 8.270 nan 0.000 0.479 104 D N 3.095 123.508 120.400 0.021 0.000 2.472 104 D HA -0.067 4.618 4.640 0.076 0.000 0.248 104 D C 0.497 176.790 176.300 -0.013 0.000 1.174 104 D CA 0.012 54.011 54.000 -0.001 0.000 0.883 104 D CB 0.640 41.414 40.800 -0.044 0.000 1.149 104 D HN 0.516 nan 8.370 nan 0.000 0.488 105 c N 3.773 122.455 118.600 0.136 0.000 2.422 105 c HA -0.070 4.545 4.570 0.076 0.000 0.286 105 c C 2.083 176.291 174.090 0.196 0.000 1.412 105 c CA 0.069 56.569 56.329 0.283 0.000 1.786 105 c CB -0.943 41.685 42.510 0.196 0.000 1.835 105 c HN 0.644 nan 8.230 nan 0.000 0.533 106 N N 1.057 119.786 118.700 0.047 0.000 2.457 106 N HA -0.061 4.724 4.740 0.076 0.000 0.180 106 N C 1.637 177.103 175.510 -0.072 0.000 1.050 106 N CA 1.263 54.318 53.050 0.008 0.000 0.906 106 N CB -0.245 38.238 38.487 -0.006 0.000 0.968 106 N HN 0.666 nan 8.380 nan 0.000 0.445 107 S N -0.500 115.059 115.700 -0.236 0.000 2.710 107 S HA 0.188 4.704 4.470 0.076 0.000 0.224 107 S C -0.017 174.267 174.600 -0.527 0.000 0.948 107 S CA -0.483 57.479 58.200 -0.397 0.000 0.949 107 S CB -0.656 62.245 63.200 -0.499 0.000 0.778 107 S HN -0.021 nan 8.310 nan 0.000 0.498 108 F N 2.132 122.039 119.950 -0.072 0.000 2.361 108 F HA 0.459 5.031 4.527 0.076 0.000 0.364 108 F C -1.446 174.319 175.800 -0.058 0.000 1.117 108 F CA -2.374 55.584 58.000 -0.070 0.000 1.071 108 F CB 1.041 40.011 39.000 -0.049 0.000 1.188 108 F HN -0.026 nan 8.300 nan 0.000 0.464 109 P HA -0.214 nan 4.420 nan 0.000 0.219 109 P C 1.564 178.895 177.300 0.052 0.000 1.158 109 P CA 1.879 65.003 63.100 0.040 0.000 0.895 109 P CB 0.183 31.897 31.700 0.024 0.000 0.792 110 G N -1.604 107.237 108.800 0.068 0.000 2.624 110 G HA2 0.270 4.275 3.960 0.076 0.000 0.216 110 G HA3 0.270 4.275 3.960 0.076 0.000 0.216 110 G C 0.567 175.498 174.900 0.052 0.000 1.274 110 G CA 0.611 45.734 45.100 0.038 0.000 0.856 110 G HN 0.532 nan 8.290 nan 0.000 0.555 111 G N 0.012 108.842 108.800 0.050 0.000 2.540 111 G HA2 0.313 4.318 3.960 0.076 0.000 0.260 111 G HA3 0.313 4.318 3.960 0.076 0.000 0.260 111 G C 0.243 175.148 174.900 0.008 0.000 0.993 111 G CA 0.290 45.423 45.100 0.054 0.000 1.327 111 G HN 1.365 nan 8.290 nan 0.000 0.485 112 A N 1.546 124.342 122.820 -0.040 0.000 2.366 112 A HA 0.756 5.121 4.320 0.076 0.000 0.249 112 A C 1.737 179.309 177.584 -0.020 0.000 1.084 112 A CA 0.825 52.844 52.037 -0.031 0.000 0.794 112 A CB 0.354 19.325 19.000 -0.048 0.000 1.034 112 A HN 2.127 nan 8.150 nan 0.000 0.491 113 S N -0.064 115.631 115.700 -0.009 0.000 2.803 113 S HA -0.009 4.507 4.470 0.076 0.000 0.226 113 S C 0.910 175.506 174.600 -0.007 0.000 0.962 113 S CA 0.627 58.827 58.200 -0.000 0.000 0.968 113 S CB -0.778 62.425 63.200 0.004 0.000 0.786 113 S HN 1.280 nan 8.310 nan 0.000 0.527 114 S N -0.724 114.960 115.700 -0.025 0.000 2.572 114 S HA 0.245 4.760 4.470 0.076 0.000 0.228 114 S C 0.478 175.051 174.600 -0.045 0.000 0.963 114 S CA -0.458 57.722 58.200 -0.033 0.000 0.939 114 S CB -0.862 62.311 63.200 -0.044 0.000 0.804 114 S HN 0.594 nan 8.310 nan 0.000 0.480 115 c N 3.588 122.165 118.600 -0.038 0.000 2.514 115 c HA 0.604 5.219 4.570 0.076 0.000 0.392 115 c C 0.007 174.106 174.090 0.014 0.000 1.294 115 c CA -0.426 55.882 56.329 -0.034 0.000 1.957 115 c CB -0.328 42.178 42.510 -0.007 0.000 2.541 115 c HN 0.407 nan 8.230 nan 0.000 0.569 116 K N 4.079 124.490 120.400 0.020 0.000 2.295 116 K HA 0.395 4.760 4.320 0.076 0.000 0.239 116 K C -0.087 176.565 176.600 0.087 0.000 0.991 116 K CA -0.412 55.904 56.287 0.048 0.000 0.845 116 K CB 1.484 34.006 32.500 0.037 0.000 1.197 116 K HN 0.700 nan 8.250 nan 0.000 0.441 117 E N 0.462 120.723 120.200 0.101 0.000 2.812 117 E HA 0.068 4.463 4.350 0.076 0.000 0.211 117 E C -0.506 176.188 176.600 0.156 0.000 0.986 117 E CA -0.097 56.385 56.400 0.138 0.000 1.119 117 E CB 1.167 30.942 29.700 0.124 0.000 1.046 117 E HN 0.693 nan 8.360 nan 0.000 0.474 118 T N -1.772 112.864 114.554 0.136 0.000 2.883 118 T HA 0.706 5.101 4.350 0.076 0.000 0.296 118 T C -0.686 174.125 174.700 0.185 0.000 1.117 118 T CA -0.935 61.228 62.100 0.105 0.000 1.006 118 T CB 1.496 70.371 68.868 0.012 0.000 1.191 118 T HN 0.104 nan 8.240 nan 0.000 0.508 119 F N -0.822 119.125 119.950 -0.005 0.000 2.643 119 F HA 0.790 5.362 4.527 0.076 0.000 0.314 119 F C -1.205 174.607 175.800 0.019 0.000 1.096 119 F CA -1.288 56.724 58.000 0.020 0.000 0.953 119 F CB 1.270 40.318 39.000 0.079 0.000 1.345 119 F HN 0.484 nan 8.300 nan 0.000 0.468 120 N N 1.671 120.467 118.700 0.161 0.000 2.405 120 N HA 0.473 5.258 4.740 0.076 0.000 0.299 120 N C -1.757 173.838 175.510 0.142 0.000 1.075 120 N CA -0.498 52.575 53.050 0.038 0.000 0.884 120 N CB 2.389 40.955 38.487 0.132 0.000 1.194 120 N HN 0.764 nan 8.380 nan 0.000 0.491 121 L N 3.080 124.281 121.223 -0.037 0.000 2.265 121 L HA 0.455 4.840 4.340 0.076 0.000 0.289 121 L C -1.397 175.430 176.870 -0.071 0.000 1.033 121 L CA -0.326 54.513 54.840 -0.002 0.000 0.814 121 L CB -0.104 41.942 42.059 -0.022 0.000 1.203 121 L HN 0.387 nan 8.230 nan 0.000 0.423 122 Y N 4.600 124.911 120.300 0.019 0.000 2.602 122 Y HA 0.677 5.273 4.550 0.076 0.000 0.330 122 Y C -0.557 175.560 175.900 0.361 0.000 1.114 122 Y CA -0.188 58.055 58.100 0.239 0.000 1.182 122 Y CB 1.788 40.486 38.460 0.397 0.000 1.305 122 Y HN 0.615 nan 8.280 nan 0.000 0.502 123 Y N -0.985 119.613 120.300 0.496 0.000 2.609 123 Y HA 0.888 5.484 4.550 0.077 0.000 0.336 123 Y C -1.907 174.086 175.900 0.155 0.000 1.129 123 Y CA -1.692 56.618 58.100 0.350 0.000 1.040 123 Y CB 1.225 39.742 38.460 0.093 0.000 1.310 123 Y HN 0.708 nan 8.280 nan 0.000 0.460 124 A N 2.335 125.033 122.820 -0.204 0.000 2.465 124 A HA 0.536 4.901 4.320 0.076 0.000 0.292 124 A C -1.514 176.044 177.584 -0.045 0.000 1.041 124 A CA -0.873 50.836 52.037 -0.546 0.000 0.718 124 A CB 1.361 19.603 19.000 -1.265 0.000 1.266 124 A HN 0.784 nan 8.150 nan 0.000 0.403 125 E N 0.666 120.844 120.200 -0.036 0.000 2.319 125 E HA 0.599 4.994 4.350 0.076 0.000 0.268 125 E C -0.421 176.252 176.600 0.122 0.000 1.050 125 E CA -0.294 56.174 56.400 0.114 0.000 0.878 125 E CB 1.625 31.381 29.700 0.092 0.000 1.066 125 E HN 0.486 nan 8.360 nan 0.000 0.406 126 S N 0.439 116.248 115.700 0.182 0.000 2.537 126 S HA 0.132 4.648 4.470 0.076 0.000 0.271 126 S C -0.630 174.069 174.600 0.164 0.000 1.148 126 S CA -0.670 57.624 58.200 0.157 0.000 0.868 126 S CB 1.323 64.606 63.200 0.138 0.000 1.115 126 S HN 0.457 nan 8.310 nan 0.000 0.461 127 D N 0.923 121.330 120.400 0.012 0.000 2.271 127 D HA 0.200 4.886 4.640 0.076 0.000 0.206 127 D C 0.245 176.453 176.300 -0.153 0.000 0.967 127 D CA 1.039 55.047 54.000 0.014 0.000 0.867 127 D CB 0.078 40.868 40.800 -0.016 0.000 0.960 127 D HN 0.407 nan 8.370 nan 0.000 0.509 128 L N -1.473 119.453 121.223 -0.495 0.000 2.376 128 L HA 0.511 4.896 4.340 0.076 0.000 0.258 128 L C -0.458 175.606 176.870 -1.345 0.000 1.013 128 L CA -1.317 53.000 54.840 -0.871 0.000 0.822 128 L CB 0.631 42.383 42.059 -0.511 0.000 1.388 128 L HN -0.404 nan 8.230 nan 0.000 0.413 129 D N -0.053 119.529 120.400 -1.364 0.000 2.343 129 D HA 0.146 4.832 4.640 0.076 0.000 0.255 129 D C 0.141 176.189 176.300 -0.421 0.000 1.187 129 D CA 0.346 53.774 54.000 -0.953 0.000 0.875 129 D CB 0.515 40.961 40.800 -0.589 0.000 1.136 129 D HN 0.583 nan 8.370 nan 0.000 0.469 130 Y N 2.677 122.973 120.300 -0.006 0.000 2.529 130 Y HA 0.100 4.695 4.550 0.076 0.000 0.290 130 Y C 2.107 178.009 175.900 0.004 0.000 1.177 130 Y CA 0.000 58.091 58.100 -0.016 0.000 1.305 130 Y CB 0.276 38.724 38.460 -0.020 0.000 1.047 130 Y HN 0.692 nan 8.280 nan 0.000 0.522 131 G N 1.090 109.988 108.800 0.162 0.000 2.596 131 G HA2 -0.484 3.521 3.960 0.076 0.000 0.304 131 G HA3 -0.484 3.521 3.960 0.076 0.000 0.304 131 G C 1.201 176.176 174.900 0.125 0.000 1.189 131 G CA 1.146 46.325 45.100 0.132 0.000 0.986 131 G HN 0.393 nan 8.290 nan 0.000 0.548 132 T N -0.406 114.207 114.554 0.098 0.000 3.113 132 T HA 0.124 4.520 4.350 0.076 0.000 0.263 132 T C 0.944 175.691 174.700 0.077 0.000 1.143 132 T CA 1.121 63.273 62.100 0.087 0.000 1.090 132 T CB -0.213 68.700 68.868 0.076 0.000 0.922 132 T HN 0.506 nan 8.240 nan 0.000 0.521 133 N N 1.897 120.639 118.700 0.069 0.000 2.475 133 N HA 0.360 5.146 4.740 0.076 0.000 0.267 133 N C -1.420 174.111 175.510 0.035 0.000 1.169 133 N CA -0.257 52.803 53.050 0.016 0.000 0.947 133 N CB 0.363 38.828 38.487 -0.037 0.000 1.061 133 N HN 0.387 nan 8.380 nan 0.000 0.466 134 F N 2.076 121.899 119.950 -0.212 0.000 2.671 134 F HA 0.218 4.791 4.527 0.075 0.000 0.332 134 F C -0.849 174.712 175.800 -0.398 0.000 1.189 134 F CA -0.834 56.986 58.000 -0.301 0.000 0.988 134 F CB 1.323 40.117 39.000 -0.343 0.000 1.258 134 F HN 0.233 nan 8.300 nan 0.000 0.471 135 Q N 5.485 124.752 119.800 -0.888 0.000 2.357 135 Q HA 0.372 4.757 4.340 0.076 0.000 0.266 135 Q C 0.162 175.546 176.000 -1.026 0.000 1.021 135 Q CA -0.458 54.853 55.803 -0.819 0.000 0.784 135 Q CB 1.732 30.171 28.738 -0.498 0.000 1.243 135 Q HN 0.743 nan 8.270 nan 0.000 0.465 136 K N 3.020 122.701 120.400 -1.200 0.000 2.032 136 K HA -0.206 4.160 4.320 0.076 0.000 0.209 136 K C 1.257 177.504 176.600 -0.589 0.000 1.048 136 K CA 1.909 57.437 56.287 -1.265 0.000 0.927 136 K CB -0.171 31.607 32.500 -1.203 0.000 0.712 136 K HN 0.641 nan 8.250 nan 0.000 0.441 137 R N 1.562 121.826 120.500 -0.394 0.000 2.369 137 R HA -0.015 4.371 4.340 0.076 0.000 0.200 137 R C 1.455 177.654 176.300 -0.170 0.000 1.046 137 R CA 0.715 56.694 56.100 -0.202 0.000 1.057 137 R CB -0.451 29.754 30.300 -0.159 0.000 0.888 137 R HN 0.203 nan 8.270 nan 0.000 0.474 138 L N -0.151 120.945 121.223 -0.212 0.000 2.375 138 L HA 0.203 4.588 4.340 0.076 0.000 0.215 138 L C 0.292 177.000 176.870 -0.271 0.000 1.108 138 L CA 0.155 54.844 54.840 -0.250 0.000 0.830 138 L CB 0.027 41.874 42.059 -0.353 0.000 0.959 138 L HN 0.094 nan 8.230 nan 0.000 0.457 139 F N -0.064 119.748 119.950 -0.231 0.000 2.396 139 F HA 0.162 4.735 4.527 0.076 0.000 0.343 139 F C 0.723 176.588 175.800 0.109 0.000 1.104 139 F CA -0.324 57.632 58.000 -0.072 0.000 1.161 139 F CB 1.134 40.130 39.000 -0.006 0.000 1.146 139 F HN -0.254 nan 8.300 nan 0.000 0.522 140 T N 3.366 117.987 114.554 0.111 0.000 2.795 140 T HA 0.191 4.586 4.350 0.076 0.000 0.282 140 T C -0.292 174.487 174.700 0.131 0.000 0.980 140 T CA -0.945 61.208 62.100 0.088 0.000 1.012 140 T CB 1.141 69.922 68.868 -0.146 0.000 0.936 140 T HN 0.430 nan 8.240 nan 0.000 0.457 141 K N 3.347 123.681 120.400 -0.111 0.000 2.379 141 K HA 0.249 4.614 4.320 0.076 0.000 0.284 141 K C 0.634 177.103 176.600 -0.218 0.000 1.044 141 K CA -0.225 55.675 56.287 -0.645 0.000 0.974 141 K CB 0.268 32.367 32.500 -0.668 0.000 0.962 141 K HN 0.556 nan 8.250 nan 0.000 0.474 142 I N 1.698 122.154 120.570 -0.189 0.000 2.429 142 I HA 0.025 4.241 4.170 0.076 0.000 0.247 142 I C 0.385 176.423 176.117 -0.131 0.000 1.099 142 I CA 0.466 61.711 61.300 -0.091 0.000 1.422 142 I CB 0.110 38.063 38.000 -0.078 0.000 1.112 142 I HN 0.727 nan 8.210 nan 0.000 0.430 143 D N -1.393 118.903 120.400 -0.173 0.000 2.798 143 D HA 0.133 4.818 4.640 0.076 0.000 0.265 143 D C -1.094 175.099 176.300 -0.177 0.000 1.223 143 D CA -0.341 53.571 54.000 -0.147 0.000 0.743 143 D CB 1.327 42.062 40.800 -0.108 0.000 1.276 143 D HN -0.232 nan 8.370 nan 0.000 0.421 144 T N 1.766 116.230 114.554 -0.151 0.000 2.832 144 T HA 0.444 4.840 4.350 0.076 0.000 0.296 144 T C 0.099 174.657 174.700 -0.236 0.000 0.968 144 T CA -0.435 61.559 62.100 -0.178 0.000 1.107 144 T CB 0.296 69.099 68.868 -0.108 0.000 0.916 144 T HN 0.171 nan 8.240 nan 0.000 0.517 145 I N 3.187 123.487 120.570 -0.449 0.000 2.312 145 I HA 0.549 4.764 4.170 0.076 0.000 0.290 145 I C 0.397 176.290 176.117 -0.373 0.000 1.008 145 I CA -0.900 60.063 61.300 -0.561 0.000 1.226 145 I CB 0.313 37.557 38.000 -1.260 0.000 1.371 145 I HN 0.643 nan 8.210 nan 0.000 0.468 146 A N 9.260 132.046 122.820 -0.057 0.000 2.365 146 A HA 0.918 5.283 4.320 0.076 0.000 0.318 146 A C -2.666 175.089 177.584 0.284 0.000 1.091 146 A CA -1.409 50.688 52.037 0.100 0.000 0.763 146 A CB 1.457 20.491 19.000 0.056 0.000 1.248 146 A HN 0.463 nan 8.150 nan 0.000 0.442 147 P HA 0.309 nan 4.420 nan 0.000 0.286 147 P C -0.448 176.912 177.300 0.100 0.000 1.269 147 P CA -0.149 63.096 63.100 0.241 0.000 0.787 147 P CB 1.156 32.995 31.700 0.232 0.000 0.920 148 D N 1.146 121.568 120.400 0.036 0.000 2.123 148 D HA -0.074 4.611 4.640 0.076 0.000 0.200 148 D C 0.139 176.441 176.300 0.003 0.000 0.976 148 D CA 1.436 55.446 54.000 0.018 0.000 0.831 148 D CB 0.211 41.012 40.800 0.001 0.000 0.974 148 D HN 0.536 nan 8.370 nan 0.000 0.469 149 E N 0.509 120.692 120.200 -0.029 0.000 2.113 149 E HA 0.244 4.639 4.350 0.076 0.000 0.273 149 E C -0.316 176.271 176.600 -0.023 0.000 0.924 149 E CA -0.540 55.839 56.400 -0.035 0.000 0.764 149 E CB 2.024 31.681 29.700 -0.071 0.000 1.104 149 E HN -0.033 nan 8.360 nan 0.000 0.406 150 I N 2.554 123.125 120.570 0.001 0.000 2.428 150 I HA 0.089 4.305 4.170 0.076 0.000 0.289 150 I C 0.358 176.473 176.117 -0.003 0.000 1.019 150 I CA -0.133 61.180 61.300 0.022 0.000 1.351 150 I CB 1.627 39.651 38.000 0.039 0.000 1.412 150 I HN 0.428 nan 8.210 nan 0.000 0.513 151 T N 6.700 121.261 114.554 0.011 0.000 2.727 151 T HA 0.310 4.705 4.350 0.076 0.000 0.295 151 T C 0.251 174.990 174.700 0.064 0.000 0.915 151 T CA -0.376 61.729 62.100 0.008 0.000 1.066 151 T CB 0.435 69.310 68.868 0.012 0.000 0.891 151 T HN 0.450 nan 8.240 nan 0.000 0.516 152 V N 1.888 121.837 119.914 0.059 0.000 3.134 152 V HA 0.501 4.667 4.120 0.076 0.000 0.313 152 V C 1.545 177.724 176.094 0.142 0.000 1.069 152 V CA -0.213 62.120 62.300 0.054 0.000 1.048 152 V CB 1.230 33.069 31.823 0.026 0.000 1.119 152 V HN 0.814 nan 8.190 nan 0.000 0.461 153 S N 0.802 116.501 115.700 -0.001 0.000 2.399 153 S HA -0.200 4.316 4.470 0.076 0.000 0.231 153 S C 1.925 176.585 174.600 0.101 0.000 1.022 153 S CA 1.650 59.794 58.200 -0.094 0.000 0.983 153 S CB -1.058 62.005 63.200 -0.228 0.000 0.803 153 S HN 1.595 nan 8.310 nan 0.000 0.480 154 S N 1.983 117.735 115.700 0.087 0.000 2.402 154 S HA -0.120 4.395 4.470 0.076 0.000 0.229 154 S C 1.382 176.071 174.600 0.149 0.000 1.021 154 S CA 1.050 59.306 58.200 0.095 0.000 0.974 154 S CB -0.791 62.443 63.200 0.058 0.000 0.800 154 S HN 0.429 nan 8.310 nan 0.000 0.484 155 D N 0.569 121.072 120.400 0.171 0.000 2.354 155 D HA -0.012 4.673 4.640 0.076 0.000 0.216 155 D C 1.022 177.374 176.300 0.088 0.000 0.970 155 D CA 0.702 54.775 54.000 0.121 0.000 0.905 155 D CB -0.320 40.491 40.800 0.019 0.000 0.903 155 D HN 0.469 nan 8.370 nan 0.000 0.508 156 F N 0.647 120.591 119.950 -0.011 0.000 2.262 156 F HA -0.011 4.562 4.527 0.076 0.000 0.292 156 F C 2.200 177.998 175.800 -0.004 0.000 1.081 156 F CA 0.671 58.663 58.000 -0.015 0.000 1.355 156 F CB -0.086 38.894 39.000 -0.034 0.000 1.069 156 F HN -0.047 nan 8.300 nan 0.000 0.506 157 E N -0.001 120.306 120.200 0.178 0.000 2.502 157 E HA 0.140 4.535 4.350 0.076 0.000 0.194 157 E C 1.222 177.857 176.600 0.058 0.000 1.062 157 E CA 0.796 57.254 56.400 0.096 0.000 0.867 157 E CB -0.111 29.632 29.700 0.072 0.000 0.888 157 E HN 0.184 nan 8.360 nan 0.000 0.510 158 A N 1.258 124.115 122.820 0.061 0.000 2.390 158 A HA 0.248 4.614 4.320 0.076 0.000 0.232 158 A C 0.302 177.905 177.584 0.031 0.000 1.233 158 A CA -0.202 51.861 52.037 0.042 0.000 0.907 158 A CB -0.258 18.778 19.000 0.061 0.000 0.967 158 A HN 0.171 nan 8.150 nan 0.000 0.512 159 R N 0.451 120.959 120.500 0.012 0.000 3.251 159 R HA -0.213 4.173 4.340 0.076 0.000 0.249 159 R C -0.357 175.966 176.300 0.040 0.000 0.949 159 R CA 1.061 57.154 56.100 -0.012 0.000 0.645 159 R CB -2.502 27.788 30.300 -0.017 0.000 1.065 159 R HN 0.850 nan 8.270 nan 0.000 0.452 160 H N -0.228 118.788 119.070 -0.091 0.000 2.638 160 H HA 0.356 4.957 4.556 0.076 0.000 0.317 160 H C -0.543 174.726 175.328 -0.098 0.000 1.006 160 H CA -0.941 55.062 56.048 -0.075 0.000 1.222 160 H CB 0.982 30.715 29.762 -0.049 0.000 1.419 160 H HN -0.016 nan 8.280 nan 0.000 0.489 161 V N 6.685 126.609 119.914 0.017 0.000 2.348 161 V HA 0.114 4.280 4.120 0.076 0.000 0.270 161 V C 0.051 176.032 176.094 -0.188 0.000 1.037 161 V CA -0.497 61.731 62.300 -0.120 0.000 0.872 161 V CB 0.872 32.663 31.823 -0.054 0.000 1.002 161 V HN 0.723 nan 8.190 nan 0.000 0.464 162 K N 4.801 125.028 120.400 -0.288 0.000 2.244 162 K HA 0.375 4.741 4.320 0.076 0.000 0.263 162 K C -0.701 175.800 176.600 -0.166 0.000 1.103 162 K CA -0.561 55.579 56.287 -0.245 0.000 0.966 162 K CB 0.821 33.152 32.500 -0.281 0.000 1.429 162 K HN 0.435 nan 8.250 nan 0.000 0.434 163 L N 4.239 125.386 121.223 -0.126 0.000 2.268 163 L HA 0.181 4.566 4.340 0.076 0.000 0.289 163 L C -0.421 176.333 176.870 -0.194 0.000 1.064 163 L CA -0.111 54.648 54.840 -0.135 0.000 0.824 163 L CB 0.161 42.181 42.059 -0.065 0.000 1.202 163 L HN 0.459 nan 8.230 nan 0.000 0.433 164 N N 3.774 122.243 118.700 -0.385 0.000 2.525 164 N HA 0.286 5.072 4.740 0.076 0.000 0.271 164 N C -0.986 174.305 175.510 -0.366 0.000 1.194 164 N CA -0.222 52.530 53.050 -0.497 0.000 0.964 164 N CB 1.875 39.774 38.487 -0.979 0.000 1.126 164 N HN 0.306 nan 8.380 nan 0.000 0.452 165 V N 1.934 121.764 119.914 -0.139 0.000 2.444 165 V HA 0.319 4.484 4.120 0.076 0.000 0.294 165 V C -0.238 175.936 176.094 0.132 0.000 1.022 165 V CA -0.633 61.688 62.300 0.035 0.000 0.850 165 V CB 1.780 33.631 31.823 0.048 0.000 0.992 165 V HN 0.520 nan 8.190 nan 0.000 0.426 166 E N 3.218 123.579 120.200 0.269 0.000 2.272 166 E HA 0.544 4.940 4.350 0.076 0.000 0.269 166 E C -1.027 175.711 176.600 0.230 0.000 0.877 166 E CA -0.530 56.029 56.400 0.266 0.000 0.755 166 E CB 3.323 33.252 29.700 0.381 0.000 1.192 166 E HN 0.801 nan 8.360 nan 0.000 0.422 167 E N 2.431 122.735 120.200 0.173 0.000 2.272 167 E HA 0.437 4.832 4.350 0.076 0.000 0.269 167 E C -0.827 175.843 176.600 0.117 0.000 0.877 167 E CA -0.697 55.806 56.400 0.171 0.000 0.755 167 E CB 1.229 31.047 29.700 0.196 0.000 1.192 167 E HN 0.191 nan 8.360 nan 0.000 0.422 168 R N 1.070 121.617 120.500 0.080 0.000 2.888 168 R HA 0.583 4.969 4.340 0.076 0.000 0.264 168 R C -1.093 175.142 176.300 -0.110 0.000 1.045 168 R CA -0.894 55.200 56.100 -0.011 0.000 0.962 168 R CB 1.771 32.043 30.300 -0.046 0.000 1.210 168 R HN 0.694 nan 8.270 nan 0.000 0.479 169 S N -1.178 114.376 115.700 -0.243 0.000 2.540 169 S HA 0.625 5.140 4.470 0.076 0.000 0.275 169 S C -1.122 173.194 174.600 -0.474 0.000 1.123 169 S CA -0.779 57.114 58.200 -0.511 0.000 0.907 169 S CB 2.045 64.720 63.200 -0.874 0.000 1.081 169 S HN 0.331 nan 8.310 nan 0.000 0.476 170 V N 1.351 120.924 119.914 -0.569 0.000 2.841 170 V HA 0.970 5.136 4.120 0.076 0.000 0.310 170 V C -0.002 175.777 176.094 -0.524 0.000 1.090 170 V CA 0.686 62.651 62.300 -0.558 0.000 0.930 170 V CB 1.563 32.905 31.823 -0.802 0.000 1.014 170 V HN 1.719 nan 8.190 nan 0.000 0.425 171 G N 5.298 113.862 108.800 -0.394 0.000 2.466 171 G HA2 0.601 4.607 3.960 0.076 0.000 0.291 171 G HA3 0.601 4.607 3.960 0.076 0.000 0.291 171 G C -3.495 171.283 174.900 -0.203 0.000 1.460 171 G CA -0.717 44.200 45.100 -0.305 0.000 0.791 171 G HN 0.653 nan 8.290 nan 0.000 0.505 172 P HA 0.484 nan 4.420 nan 0.000 0.293 172 P C -0.048 177.158 177.300 -0.156 0.000 1.300 172 P CA -0.532 62.474 63.100 -0.158 0.000 0.792 172 P CB 1.066 32.700 31.700 -0.110 0.000 0.925 173 L N 2.038 123.139 121.223 -0.204 0.000 2.416 173 L HA 0.180 4.565 4.340 0.076 0.000 0.272 173 L C 1.519 178.314 176.870 -0.126 0.000 1.161 173 L CA 0.355 55.087 54.840 -0.181 0.000 0.845 173 L CB 0.622 42.520 42.059 -0.267 0.000 1.119 173 L HN 0.524 nan 8.230 nan 0.000 0.464 174 T N 1.895 116.401 114.554 -0.080 0.000 2.980 174 T HA 0.180 4.575 4.350 0.076 0.000 0.252 174 T C 0.871 175.541 174.700 -0.050 0.000 0.962 174 T CA -0.199 61.863 62.100 -0.064 0.000 0.932 174 T CB 0.348 69.189 68.868 -0.044 0.000 1.188 174 T HN 0.503 nan 8.240 nan 0.000 0.500 175 R N 0.662 121.143 120.500 -0.030 0.000 2.553 175 R HA 0.650 5.035 4.340 0.076 0.000 0.263 175 R C 1.790 178.071 176.300 -0.033 0.000 1.066 175 R CA 0.122 56.218 56.100 -0.008 0.000 1.135 175 R CB 0.397 30.717 30.300 0.033 0.000 1.148 175 R HN 0.114 nan 8.270 nan 0.000 0.558 176 K N 0.842 121.245 120.400 0.004 0.000 2.152 176 K HA -0.045 4.321 4.320 0.076 0.000 0.206 176 K C 0.995 177.481 176.600 -0.190 0.000 1.048 176 K CA 1.803 58.064 56.287 -0.042 0.000 0.933 176 K CB -0.429 32.154 32.500 0.138 0.000 0.721 176 K HN 0.804 nan 8.250 nan 0.000 0.447 177 G N -1.716 107.061 108.800 -0.038 0.000 2.663 177 G HA2 0.638 4.644 3.960 0.076 0.000 0.299 177 G HA3 0.638 4.644 3.960 0.076 0.000 0.299 177 G C -1.180 173.613 174.900 -0.177 0.000 1.372 177 G CA -0.189 44.592 45.100 -0.532 0.000 0.781 177 G HN 0.896 nan 8.290 nan 0.000 0.491 178 F N -2.055 117.512 119.950 -0.638 0.000 2.678 178 F HA 0.786 5.358 4.527 0.076 0.000 0.308 178 F C -2.145 173.434 175.800 -0.368 0.000 1.118 178 F CA -1.884 55.936 58.000 -0.300 0.000 0.959 178 F CB 1.029 39.953 39.000 -0.127 0.000 1.305 178 F HN 0.503 nan 8.300 nan 0.000 0.443 179 Y N 1.913 122.362 120.300 0.247 0.000 2.496 179 Y HA 0.773 5.368 4.550 0.076 0.000 0.331 179 Y C -0.337 175.794 175.900 0.385 0.000 1.140 179 Y CA -1.131 57.109 58.100 0.232 0.000 1.166 179 Y CB 1.786 40.469 38.460 0.372 0.000 1.249 179 Y HN 0.569 nan 8.280 nan 0.000 0.479 180 L N 1.948 123.387 121.223 0.360 0.000 2.346 180 L HA 0.886 5.272 4.340 0.076 0.000 0.274 180 L C -0.627 176.178 176.870 -0.109 0.000 1.007 180 L CA -1.053 53.870 54.840 0.138 0.000 0.818 180 L CB 1.828 43.846 42.059 -0.068 0.000 1.284 180 L HN 0.742 nan 8.230 nan 0.000 0.424 181 A N 2.571 125.264 122.820 -0.212 0.000 2.449 181 A HA 0.851 5.216 4.320 0.076 0.000 0.302 181 A C -1.485 175.786 177.584 -0.521 0.000 1.048 181 A CA -0.362 51.479 52.037 -0.327 0.000 0.708 181 A CB 1.177 20.038 19.000 -0.233 0.000 1.274 181 A HN 0.484 nan 8.150 nan 0.000 0.410 182 F N 1.007 120.867 119.950 -0.150 0.000 2.449 182 F HA 0.503 5.075 4.527 0.076 0.000 0.342 182 F C 0.429 176.095 175.800 -0.223 0.000 1.127 182 F CA -0.290 57.614 58.000 -0.161 0.000 0.975 182 F CB 2.106 40.846 39.000 -0.433 0.000 1.146 182 F HN 0.639 nan 8.300 nan 0.000 0.444 183 Q N 3.119 122.873 119.800 -0.076 0.000 2.314 183 Q HA 0.235 4.621 4.340 0.076 0.000 0.259 183 Q C -1.481 174.565 176.000 0.076 0.000 0.951 183 Q CA -0.721 54.813 55.803 -0.449 0.000 0.909 183 Q CB 1.578 29.655 28.738 -1.102 0.000 1.236 183 Q HN 0.727 nan 8.270 nan 0.000 0.444 184 D N 3.754 124.226 120.400 0.119 0.000 2.198 184 D HA 0.207 4.892 4.640 0.076 0.000 0.245 184 D C 0.480 176.737 176.300 -0.072 0.000 1.079 184 D CA -0.475 53.527 54.000 0.003 0.000 0.854 184 D CB 0.805 41.383 40.800 -0.369 0.000 1.148 184 D HN 0.650 nan 8.370 nan 0.000 0.456 185 I N 0.625 121.176 120.570 -0.032 0.000 4.009 185 I HA 0.558 4.774 4.170 0.076 0.000 0.331 185 I C 0.808 176.901 176.117 -0.040 0.000 1.462 185 I CA -0.567 60.718 61.300 -0.025 0.000 1.117 185 I CB 0.383 38.391 38.000 0.012 0.000 1.091 185 I HN 0.531 nan 8.210 nan 0.000 0.410 186 G N 1.507 110.260 108.800 -0.079 0.000 2.245 186 G HA2 0.187 4.192 3.960 0.076 0.000 0.116 186 G HA3 0.187 4.192 3.960 0.076 0.000 0.116 186 G C -0.159 174.688 174.900 -0.088 0.000 1.054 186 G CA -0.243 44.799 45.100 -0.096 0.000 0.728 186 G HN 0.728 nan 8.290 nan 0.000 0.483 187 A N -1.009 121.757 122.820 -0.090 0.000 2.313 187 A HA 0.786 5.151 4.320 0.076 0.000 0.323 187 A C 0.361 177.907 177.584 -0.064 0.000 1.133 187 A CA -0.216 51.803 52.037 -0.030 0.000 0.847 187 A CB 1.704 20.737 19.000 0.054 0.000 1.308 187 A HN 1.225 nan 8.150 nan 0.000 0.475 188 c N 2.106 120.735 118.600 0.048 0.000 2.185 188 c HA 0.611 5.227 4.570 0.076 0.000 0.357 188 c C -0.305 173.835 174.090 0.083 0.000 1.053 188 c CA -0.199 56.184 56.329 0.090 0.000 1.552 188 c CB -2.202 40.506 42.510 0.330 0.000 1.679 188 c HN 0.523 nan 8.230 nan 0.000 0.453 189 V N 3.104 123.000 119.914 -0.030 0.000 2.864 189 V HA 0.919 5.085 4.120 0.076 0.000 0.314 189 V C 0.065 176.156 176.094 -0.005 0.000 1.073 189 V CA -0.492 61.805 62.300 -0.005 0.000 0.956 189 V CB 1.921 33.670 31.823 -0.124 0.000 1.023 189 V HN 0.753 nan 8.190 nan 0.000 0.435 190 A N 3.248 126.115 122.820 0.077 0.000 2.402 190 A HA 0.734 5.099 4.320 0.076 0.000 0.291 190 A C -1.214 176.436 177.584 0.111 0.000 1.051 190 A CA -0.399 51.698 52.037 0.101 0.000 0.716 190 A CB 1.149 20.195 19.000 0.077 0.000 1.223 190 A HN 0.801 nan 8.150 nan 0.000 0.425 191 L N 4.190 125.453 121.223 0.067 0.000 2.261 191 L HA 0.235 4.620 4.340 0.076 0.000 0.289 191 L C 0.420 177.292 176.870 0.003 0.000 1.059 191 L CA -0.544 54.273 54.840 -0.038 0.000 0.816 191 L CB 0.835 42.702 42.059 -0.319 0.000 1.191 191 L HN 0.779 nan 8.230 nan 0.000 0.431 192 L N 1.991 123.280 121.223 0.110 0.000 2.249 192 L HA 0.143 4.528 4.340 0.076 0.000 0.207 192 L C 0.810 177.849 176.870 0.281 0.000 1.090 192 L CA 0.871 55.817 54.840 0.177 0.000 0.802 192 L CB 0.207 42.348 42.059 0.137 0.000 0.947 192 L HN 0.534 nan 8.230 nan 0.000 0.453 193 S N -0.812 115.027 115.700 0.233 0.000 2.543 193 S HA 0.575 5.090 4.470 0.076 0.000 0.271 193 S C -1.184 173.585 174.600 0.281 0.000 1.148 193 S CA -0.420 57.969 58.200 0.315 0.000 0.914 193 S CB 2.027 65.378 63.200 0.252 0.000 1.096 193 S HN -0.173 nan 8.310 nan 0.000 0.471 194 V N 5.058 125.200 119.914 0.380 0.000 2.482 194 V HA 0.619 4.785 4.120 0.076 0.000 0.295 194 V C -0.252 176.101 176.094 0.431 0.000 1.026 194 V CA -0.658 61.893 62.300 0.419 0.000 0.856 194 V CB 1.540 33.697 31.823 0.557 0.000 1.001 194 V HN 0.829 nan 8.190 nan 0.000 0.424 195 R N 3.879 124.605 120.500 0.377 0.000 2.473 195 R HA 0.755 5.141 4.340 0.076 0.000 0.303 195 R C -1.840 174.700 176.300 0.399 0.000 1.002 195 R CA -0.319 55.999 56.100 0.363 0.000 0.884 195 R CB 1.909 32.396 30.300 0.312 0.000 1.173 195 R HN 0.527 nan 8.270 nan 0.000 0.464 196 V N 5.942 126.084 119.914 0.380 0.000 2.459 196 V HA 0.569 4.735 4.120 0.076 0.000 0.295 196 V C -1.001 175.331 176.094 0.396 0.000 1.029 196 V CA -0.610 61.888 62.300 0.331 0.000 0.874 196 V CB 1.202 33.220 31.823 0.325 0.000 0.985 196 V HN 0.778 nan 8.190 nan 0.000 0.438 197 Y N 3.685 124.128 120.300 0.238 0.000 2.624 197 Y HA 0.796 5.390 4.550 0.075 0.000 0.334 197 Y C -1.213 174.867 175.900 0.300 0.000 1.155 197 Y CA -1.846 56.375 58.100 0.202 0.000 1.046 197 Y CB 1.290 39.802 38.460 0.086 0.000 1.316 197 Y HN 0.674 nan 8.280 nan 0.000 0.457 198 Y N -0.215 120.243 120.300 0.263 0.000 2.587 198 Y HA 0.811 5.405 4.550 0.074 0.000 0.337 198 Y C -1.124 174.930 175.900 0.256 0.000 1.065 198 Y CA -1.771 56.456 58.100 0.212 0.000 1.126 198 Y CB 1.707 40.225 38.460 0.097 0.000 1.279 198 Y HN 0.584 nan 8.280 nan 0.000 0.489 199 K N 1.850 122.414 120.400 0.273 0.000 2.138 199 K HA 0.434 4.800 4.320 0.076 0.000 0.263 199 K C -1.242 175.396 176.600 0.064 0.000 0.965 199 K CA -1.049 55.292 56.287 0.091 0.000 0.868 199 K CB 1.723 34.261 32.500 0.063 0.000 1.083 199 K HN 0.626 nan 8.250 nan 0.000 0.443 200 K N 2.347 122.727 120.400 -0.032 0.000 2.613 200 K HA 0.211 4.577 4.320 0.076 0.000 0.248 200 K C -1.181 175.379 176.600 -0.067 0.000 0.959 200 K CA -0.591 55.687 56.287 -0.015 0.000 0.855 200 K CB 1.114 33.600 32.500 -0.022 0.000 1.143 200 K HN 0.664 nan 8.250 nan 0.000 0.437 201 c N 6.191 124.691 118.600 -0.168 0.000 2.519 201 c HA 0.065 4.680 4.570 0.076 0.000 0.402 201 c C -1.749 172.363 174.090 0.036 0.000 1.475 201 c CA -0.950 55.179 56.329 -0.334 0.000 1.504 201 c CB -1.004 40.937 42.510 -0.948 0.000 2.454 201 c HN 0.569 nan 8.230 nan 0.000 0.615 202 P HA 0.051 nan 4.420 nan 0.000 0.272 202 P C -0.276 177.248 177.300 0.374 0.000 1.223 202 P CA 0.086 63.334 63.100 0.247 0.000 0.784 202 P CB 0.496 32.311 31.700 0.191 0.000 0.923 203 E N 1.702 122.030 120.200 0.213 0.000 2.465 203 E HA 0.107 4.503 4.350 0.076 0.000 0.260 203 E C -0.902 175.726 176.600 0.047 0.000 0.980 203 E CA -0.019 56.454 56.400 0.122 0.000 0.927 203 E CB 0.145 29.917 29.700 0.121 0.000 0.934 203 E HN 0.355 nan 8.360 nan 0.000 0.459 204 L N 6.009 127.157 121.223 -0.125 0.000 2.410 204 L HA 0.398 4.783 4.340 0.076 0.000 0.270 204 L C -1.287 175.529 176.870 -0.090 0.000 0.983 204 L CA -0.931 53.809 54.840 -0.165 0.000 0.822 204 L CB 1.281 43.017 42.059 -0.538 0.000 1.285 204 L HN 0.614 nan 8.230 nan 0.000 0.409 205 L N 5.029 126.243 121.223 -0.013 0.000 2.295 205 L HA 0.524 4.909 4.340 0.076 0.000 0.281 205 L C -0.576 176.311 176.870 0.029 0.000 1.018 205 L CA -0.042 54.821 54.840 0.039 0.000 0.841 205 L CB 1.485 43.576 42.059 0.053 0.000 1.218 205 L HN 0.591 nan 8.230 nan 0.000 0.424 206 Q N 1.956 121.804 119.800 0.081 0.000 2.353 206 Q HA 0.443 4.829 4.340 0.076 0.000 0.275 206 Q C 0.401 176.465 176.000 0.107 0.000 1.029 206 Q CA -0.052 55.784 55.803 0.055 0.000 0.848 206 Q CB 2.284 31.000 28.738 -0.036 0.000 1.390 206 Q HN 0.706 nan 8.270 nan 0.000 0.401 207 G N 2.913 111.745 108.800 0.053 0.000 2.225 207 G HA2 -0.278 3.728 3.960 0.076 0.000 0.267 207 G HA3 -0.278 3.728 3.960 0.076 0.000 0.267 207 G C 0.424 175.342 174.900 0.030 0.000 1.024 207 G CA 0.492 45.622 45.100 0.049 0.000 0.784 207 G HN 1.006 nan 8.290 nan 0.000 0.507 208 L N -3.738 117.494 121.223 0.015 0.000 3.865 208 L HA -0.155 4.230 4.340 0.076 0.000 0.408 208 L C 0.907 177.751 176.870 -0.043 0.000 1.209 208 L CA 0.934 55.767 54.840 -0.012 0.000 0.940 208 L CB -1.866 40.184 42.059 -0.016 0.000 1.971 208 L HN 1.652 nan 8.230 nan 0.000 0.899 209 A N -1.151 121.638 122.820 -0.050 0.000 2.527 209 A HA 0.766 5.131 4.320 0.076 0.000 0.293 209 A C -0.885 176.556 177.584 -0.238 0.000 1.117 209 A CA -0.510 51.413 52.037 -0.190 0.000 0.723 209 A CB 1.696 20.515 19.000 -0.302 0.000 1.313 209 A HN 0.298 nan 8.150 nan 0.000 0.411 210 H N 0.652 119.428 119.070 -0.491 0.000 2.489 210 H HA 0.647 5.250 4.556 0.078 0.000 0.343 210 H C -2.027 172.922 175.328 -0.632 0.000 1.086 210 H CA -0.434 55.383 56.048 -0.385 0.000 1.198 210 H CB 0.867 30.498 29.762 -0.217 0.000 1.490 210 H HN 0.434 nan 8.280 nan 0.000 0.504 211 F N 6.421 125.902 119.950 -0.782 0.000 2.460 211 F HA 0.305 4.874 4.527 0.070 0.000 0.341 211 F C -1.994 173.446 175.800 -0.600 0.000 1.130 211 F CA -2.081 55.543 58.000 -0.627 0.000 0.962 211 F CB 1.728 40.244 39.000 -0.807 0.000 1.171 211 F HN 0.402 nan 8.300 nan 0.000 0.436 212 P HA -0.034 nan 4.420 nan 0.000 0.269 212 P C -0.523 176.904 177.300 0.211 0.000 1.215 212 P CA -0.268 62.867 63.100 0.060 0.000 0.780 212 P CB 0.847 32.627 31.700 0.134 0.000 0.898 213 E N 1.227 121.548 120.200 0.202 0.000 2.328 213 E HA 0.136 4.532 4.350 0.076 0.000 0.265 213 E C -0.248 176.475 176.600 0.205 0.000 1.057 213 E CA -0.130 56.409 56.400 0.232 0.000 0.916 213 E CB 0.106 29.904 29.700 0.163 0.000 0.993 213 E HN 0.431 nan 8.360 nan 0.000 0.446 214 T N 2.242 116.915 114.554 0.197 0.000 2.924 214 T HA 0.499 4.895 4.350 0.076 0.000 0.291 214 T C 0.123 174.847 174.700 0.039 0.000 1.045 214 T CA -1.112 61.059 62.100 0.117 0.000 1.015 214 T CB 0.937 69.886 68.868 0.136 0.000 1.103 214 T HN 0.264 nan 8.240 nan 0.000 0.496 215 I N 1.468 122.073 120.570 0.059 0.000 2.395 215 I HA 0.458 4.673 4.170 0.076 0.000 0.289 215 I C 1.051 177.179 176.117 0.017 0.000 1.023 215 I CA -1.252 60.099 61.300 0.084 0.000 1.350 215 I CB -0.232 37.821 38.000 0.088 0.000 1.409 215 I HN 0.981 nan 8.210 nan 0.000 0.507 216 A N 5.356 128.194 122.820 0.029 0.000 2.522 216 A HA 0.462 4.827 4.320 0.076 0.000 0.256 216 A C 1.049 178.636 177.584 0.005 0.000 1.086 216 A CA 0.204 52.237 52.037 -0.007 0.000 0.763 216 A CB -0.556 18.461 19.000 0.028 0.000 1.024 216 A HN 0.997 nan 8.150 nan 0.000 0.502 217 G N 1.176 109.963 108.800 -0.021 0.000 2.750 217 G HA2 0.281 4.287 3.960 0.076 0.000 0.250 217 G HA3 0.281 4.287 3.960 0.076 0.000 0.250 217 G C 1.121 176.002 174.900 -0.033 0.000 1.230 217 G CA 0.355 45.439 45.100 -0.026 0.000 0.883 217 G HN 0.823 nan 8.290 nan 0.000 0.573 218 S N -0.807 114.860 115.700 -0.054 0.000 2.412 218 S HA 0.029 4.544 4.470 0.076 0.000 0.223 218 S C 0.723 175.279 174.600 -0.072 0.000 1.048 218 S CA 0.205 58.357 58.200 -0.081 0.000 0.954 218 S CB -0.312 62.824 63.200 -0.107 0.000 0.840 218 S HN 0.600 nan 8.310 nan 0.000 0.503 219 D N 1.798 122.165 120.400 -0.056 0.000 2.458 219 D HA 0.273 4.959 4.640 0.076 0.000 0.243 219 D C 1.031 177.310 176.300 -0.036 0.000 1.146 219 D CA 0.533 54.505 54.000 -0.047 0.000 0.877 219 D CB 1.094 41.873 40.800 -0.036 0.000 1.176 219 D HN 0.283 nan 8.370 nan 0.000 0.461 220 A N 5.257 128.057 122.820 -0.035 0.000 1.892 220 A HA -0.121 4.244 4.320 0.076 0.000 0.218 220 A C -0.531 177.042 177.584 -0.017 0.000 1.188 220 A CA 0.940 52.963 52.037 -0.022 0.000 0.631 220 A CB -1.328 17.659 19.000 -0.022 0.000 0.822 220 A HN 0.532 nan 8.150 nan 0.000 0.447 221 P HA 0.121 nan 4.420 nan 0.000 0.259 221 P C -0.406 176.887 177.300 -0.011 0.000 1.480 221 P CA 0.152 63.243 63.100 -0.014 0.000 0.842 221 P CB -0.333 31.358 31.700 -0.014 0.000 1.513 222 S N 0.904 116.597 115.700 -0.012 0.000 2.448 222 S HA 0.304 4.819 4.470 0.076 0.000 0.279 222 S C 0.186 174.786 174.600 0.001 0.000 1.195 222 S CA -0.132 58.064 58.200 -0.007 0.000 1.051 222 S CB 0.070 63.261 63.200 -0.015 0.000 0.948 222 S HN 0.183 nan 8.310 nan 0.000 0.493 223 L N 3.521 124.758 121.223 0.023 0.000 2.417 223 L HA 0.431 4.816 4.340 0.076 0.000 0.259 223 L C 0.080 177.013 176.870 0.104 0.000 1.023 223 L CA -0.614 54.263 54.840 0.062 0.000 0.901 223 L CB 1.042 43.138 42.059 0.062 0.000 1.227 223 L HN 0.651 nan 8.230 nan 0.000 0.454 224 A N 1.940 124.801 122.820 0.069 0.000 2.396 224 A HA 0.452 4.817 4.320 0.076 0.000 0.279 224 A C 0.421 178.056 177.584 0.086 0.000 1.165 224 A CA -0.053 52.024 52.037 0.067 0.000 0.824 224 A CB 0.079 19.097 19.000 0.030 0.000 1.100 224 A HN 0.556 nan 8.150 nan 0.000 0.516 225 T N 2.922 117.519 114.554 0.071 0.000 2.752 225 T HA 0.366 4.762 4.350 0.076 0.000 0.295 225 T C -0.007 174.701 174.700 0.014 0.000 0.923 225 T CA 0.106 62.177 62.100 -0.048 0.000 1.112 225 T CB 0.220 69.079 68.868 -0.015 0.000 0.884 225 T HN 0.369 nan 8.240 nan 0.000 0.525 226 V N 3.606 123.551 119.914 0.051 0.000 2.357 226 V HA 0.571 4.736 4.120 0.076 0.000 0.284 226 V C 0.587 176.793 176.094 0.186 0.000 1.018 226 V CA -1.243 61.163 62.300 0.176 0.000 0.841 226 V CB 1.055 33.106 31.823 0.380 0.000 0.991 226 V HN 1.066 nan 8.190 nan 0.000 0.437 227 A N 4.094 126.978 122.820 0.107 0.000 2.462 227 A HA 0.654 5.020 4.320 0.076 0.000 0.243 227 A C 0.765 178.315 177.584 -0.056 0.000 1.076 227 A CA 0.495 52.563 52.037 0.052 0.000 0.773 227 A CB 0.320 19.324 19.000 0.007 0.000 1.010 227 A HN 1.047 nan 8.150 nan 0.000 0.493 228 G N 0.165 108.809 108.800 -0.259 0.000 2.434 228 G HA2 0.549 4.555 3.960 0.076 0.000 0.330 228 G HA3 0.549 4.555 3.960 0.076 0.000 0.330 228 G C -0.497 174.126 174.900 -0.461 0.000 1.155 228 G CA -0.309 44.269 45.100 -0.871 0.000 0.917 228 G HN 0.674 nan 8.290 nan 0.000 0.493 229 T N 0.610 114.908 114.554 -0.427 0.000 2.770 229 T HA 0.250 4.645 4.350 0.076 0.000 0.283 229 T C 0.146 174.726 174.700 -0.200 0.000 0.988 229 T CA -0.229 61.739 62.100 -0.220 0.000 0.957 229 T CB 0.657 69.451 68.868 -0.124 0.000 0.930 229 T HN 0.604 nan 8.240 nan 0.000 0.443 230 c N 4.700 123.203 118.600 -0.161 0.000 2.523 230 c HA 0.177 4.793 4.570 0.076 0.000 0.406 230 c C 1.523 175.534 174.090 -0.131 0.000 1.449 230 c CA -0.980 55.269 56.329 -0.133 0.000 1.588 230 c CB -1.703 40.742 42.510 -0.108 0.000 2.514 230 c HN 0.770 nan 8.230 nan 0.000 0.606 231 V N 3.169 123.013 119.914 -0.117 0.000 3.287 231 V HA 0.168 4.334 4.120 0.076 0.000 0.306 231 V C 0.504 176.504 176.094 -0.156 0.000 1.103 231 V CA -0.319 61.909 62.300 -0.119 0.000 1.159 231 V CB 0.334 32.107 31.823 -0.082 0.000 1.036 231 V HN 0.728 nan 8.190 nan 0.000 0.487 232 D N 2.241 122.526 120.400 -0.192 0.000 2.525 232 D HA 0.023 4.709 4.640 0.076 0.000 0.235 232 D C 0.800 176.894 176.300 -0.342 0.000 1.137 232 D CA 1.048 54.848 54.000 -0.335 0.000 0.868 232 D CB -0.138 40.439 40.800 -0.373 0.000 1.180 232 D HN 0.961 nan 8.370 nan 0.000 0.465 233 H N -2.011 116.887 119.070 -0.286 0.000 3.109 233 H HA -0.168 4.433 4.556 0.075 0.000 0.245 233 H C -0.069 175.024 175.328 -0.391 0.000 1.187 233 H CA 0.997 56.737 56.048 -0.513 0.000 1.136 233 H CB -1.633 27.525 29.762 -1.006 0.000 1.243 233 H HN 0.520 nan 8.280 nan 0.000 0.328 234 A N 0.015 122.741 122.820 -0.158 0.000 2.354 234 A HA 0.833 5.198 4.320 0.076 0.000 0.321 234 A C -0.220 177.317 177.584 -0.079 0.000 1.125 234 A CA 0.066 52.044 52.037 -0.099 0.000 0.799 234 A CB 2.922 21.870 19.000 -0.086 0.000 1.293 234 A HN 0.195 nan 8.150 nan 0.000 0.452 235 V N 0.364 120.249 119.914 -0.049 0.000 3.242 235 V HA 0.567 4.732 4.120 0.076 0.000 0.298 235 V C -1.251 174.828 176.094 -0.025 0.000 1.352 235 V CA -0.482 61.794 62.300 -0.039 0.000 1.052 235 V CB 2.259 34.066 31.823 -0.027 0.000 1.101 235 V HN 1.346 nan 8.190 nan 0.000 0.446 236 V N 6.738 126.638 119.914 -0.024 0.000 2.350 236 V HA 0.540 4.706 4.120 0.076 0.000 0.276 236 V C -1.576 174.514 176.094 -0.007 0.000 1.028 236 V CA -1.067 61.225 62.300 -0.013 0.000 0.860 236 V CB 1.446 33.261 31.823 -0.014 0.000 0.990 236 V HN 0.971 nan 8.190 nan 0.000 0.453 237 P HA 0.197 nan 4.420 nan 0.000 0.215 237 P C -1.505 175.798 177.300 0.005 0.000 1.160 237 P CA 0.333 63.434 63.100 0.003 0.000 0.869 237 P CB -1.011 30.694 31.700 0.008 0.000 0.782 242 E N 4.842 125.056 120.200 0.022 0.000 2.354 242 E HA 0.272 4.667 4.350 0.076 0.000 0.269 242 E C -2.037 174.584 176.600 0.035 0.000 1.036 242 E CA -1.880 54.529 56.400 0.015 0.000 0.876 242 E CB 0.681 30.384 29.700 0.004 0.000 1.009 242 E HN 0.271 nan 8.360 nan 0.000 0.416 243 P HA 0.066 nan 4.420 nan 0.000 0.267 243 P C -0.793 176.612 177.300 0.176 0.000 1.209 243 P CA 0.387 63.550 63.100 0.106 0.000 0.763 243 P CB 0.615 32.339 31.700 0.040 0.000 0.816 244 R N 2.653 123.286 120.500 0.222 0.000 2.626 244 R HA 0.629 5.015 4.340 0.076 0.000 0.274 244 R C -0.321 175.953 176.300 -0.044 0.000 1.031 244 R CA -0.767 55.426 56.100 0.155 0.000 0.898 244 R CB 1.834 32.140 30.300 0.010 0.000 1.222 244 R HN 0.425 nan 8.270 nan 0.000 0.455 245 M N 1.404 120.876 119.600 -0.213 0.000 2.690 245 M HA 0.401 4.926 4.480 0.076 0.000 0.302 245 M C -1.148 175.033 176.300 -0.200 0.000 1.234 245 M CA -0.807 54.306 55.300 -0.312 0.000 0.853 245 M CB 2.081 34.176 32.600 -0.842 0.000 1.748 245 M HN 0.644 nan 8.290 nan 0.000 0.469 246 H N -0.578 118.631 119.070 0.232 0.000 2.800 246 H HA 0.352 4.921 4.556 0.021 0.000 0.322 246 H C -0.797 174.576 175.328 0.075 0.000 0.979 246 H CA -0.413 55.729 56.048 0.157 0.000 1.277 246 H CB 1.581 31.386 29.762 0.072 0.000 1.484 246 H HN 0.658 nan 8.280 nan 0.000 0.512 247 c N 3.883 122.483 118.600 0.000 0.000 2.394 247 c HA 0.780 5.396 4.570 0.076 0.000 0.362 247 c C 0.952 174.940 174.090 -0.170 0.000 1.268 247 c CA -0.237 55.884 56.329 -0.346 0.000 1.828 247 c CB -1.871 40.322 42.510 -0.527 0.000 2.442 247 c HN 0.911 nan 8.230 nan 0.000 0.549 248 A N 4.241 126.952 122.820 -0.181 0.000 2.239 248 A HA 0.535 4.901 4.320 0.076 0.000 0.303 248 A C 1.216 178.745 177.584 -0.091 0.000 1.114 248 A CA 0.193 52.173 52.037 -0.096 0.000 0.871 248 A CB 0.337 19.296 19.000 -0.069 0.000 1.201 248 A HN 1.682 nan 8.150 nan 0.000 0.506 249 V N -1.820 118.071 119.914 -0.039 0.000 2.970 249 V HA -0.058 4.107 4.120 0.076 0.000 0.260 249 V C 1.111 177.222 176.094 0.029 0.000 1.100 249 V CA 2.155 64.456 62.300 0.003 0.000 1.122 249 V CB -0.925 30.913 31.823 0.024 0.000 0.721 249 V HN 0.845 nan 8.190 nan 0.000 0.483 250 D N 0.364 120.754 120.400 -0.016 0.000 2.349 250 D HA 0.233 4.919 4.640 0.076 0.000 0.214 250 D C 1.580 177.827 176.300 -0.088 0.000 1.063 250 D CA 0.658 54.636 54.000 -0.038 0.000 0.847 250 D CB 0.304 41.080 40.800 -0.041 0.000 0.933 250 D HN 0.853 nan 8.370 nan 0.000 0.513 251 G N 0.341 109.064 108.800 -0.128 0.000 2.141 251 G HA2 -0.245 3.760 3.960 0.076 0.000 0.231 251 G HA3 -0.245 3.760 3.960 0.076 0.000 0.231 251 G C -0.240 174.486 174.900 -0.291 0.000 0.984 251 G CA -0.144 44.832 45.100 -0.206 0.000 0.660 251 G HN 0.430 nan 8.290 nan 0.000 0.525 252 E N -0.619 119.439 120.200 -0.237 0.000 2.249 252 E HA 0.411 4.807 4.350 0.076 0.000 0.280 252 E C -0.334 176.117 176.600 -0.249 0.000 1.016 252 E CA -0.890 55.398 56.400 -0.186 0.000 0.830 252 E CB 0.770 30.427 29.700 -0.071 0.000 1.081 252 E HN 0.357 nan 8.360 nan 0.000 0.395 253 W N 3.756 125.027 121.300 -0.049 0.000 2.356 253 W HA 0.142 4.838 4.660 0.061 0.000 0.311 253 W C 0.821 177.310 176.519 -0.050 0.000 1.328 253 W CA -0.360 56.940 57.345 -0.075 0.000 1.251 253 W CB 0.421 29.791 29.460 -0.150 0.000 1.280 253 W HN 0.489 nan 8.180 nan 0.000 0.524 254 L N 3.143 124.483 121.223 0.195 0.000 2.296 254 L HA 0.168 4.553 4.340 0.076 0.000 0.193 254 L C 0.585 177.511 176.870 0.093 0.000 1.123 254 L CA 0.249 55.152 54.840 0.104 0.000 0.805 254 L CB -0.560 41.529 42.059 0.050 0.000 1.004 254 L HN 0.204 nan 8.230 nan 0.000 0.478 255 V N -1.536 118.458 119.914 0.133 0.000 2.326 255 V HA 0.469 4.634 4.120 0.076 0.000 0.281 255 V C -2.735 173.476 176.094 0.195 0.000 1.015 255 V CA -2.251 60.104 62.300 0.091 0.000 0.823 255 V CB 0.641 32.427 31.823 -0.061 0.000 1.009 255 V HN 0.016 nan 8.190 nan 0.000 0.436 256 P HA 0.490 nan 4.420 nan 0.000 0.276 256 P C -0.570 176.780 177.300 0.084 0.000 1.243 256 P CA 0.186 63.313 63.100 0.046 0.000 0.768 256 P CB 0.652 32.350 31.700 -0.003 0.000 0.856 257 I N 2.930 123.564 120.570 0.107 0.000 2.418 257 I HA 0.556 4.771 4.170 0.076 0.000 0.287 257 I C 0.806 176.974 176.117 0.085 0.000 1.008 257 I CA -0.259 61.103 61.300 0.104 0.000 1.104 257 I CB 1.391 39.477 38.000 0.143 0.000 1.264 257 I HN 0.581 nan 8.210 nan 0.000 0.438 258 G N 5.631 114.470 108.800 0.065 0.000 2.782 258 G HA2 -0.113 3.892 3.960 0.076 0.000 0.228 258 G HA3 -0.113 3.892 3.960 0.076 0.000 0.228 258 G C -1.013 173.922 174.900 0.058 0.000 1.372 258 G CA -0.057 45.075 45.100 0.054 0.000 0.862 258 G HN 0.948 nan 8.290 nan 0.000 0.547 259 Q N -2.316 117.510 119.800 0.042 0.000 2.756 259 Q HA 0.600 4.985 4.340 0.076 0.000 0.295 259 Q C -1.077 174.931 176.000 0.013 0.000 0.903 259 Q CA -0.907 54.918 55.803 0.037 0.000 0.768 259 Q CB 0.864 29.621 28.738 0.032 0.000 1.472 259 Q HN 1.150 nan 8.270 nan 0.000 0.416 260 c N 1.347 119.947 118.600 0.001 0.000 2.376 260 c HA 0.714 5.329 4.570 0.076 0.000 0.335 260 c C -0.201 173.885 174.090 -0.007 0.000 1.229 260 c CA -0.552 55.767 56.329 -0.017 0.000 1.867 260 c CB 0.219 42.703 42.510 -0.043 0.000 2.319 260 c HN 0.608 nan 8.230 nan 0.000 0.515 261 L N 1.575 122.794 121.223 -0.005 0.000 2.334 261 L HA 0.374 4.760 4.340 0.076 0.000 0.276 261 L C -0.256 176.619 176.870 0.008 0.000 1.014 261 L CA -0.405 54.439 54.840 0.006 0.000 0.815 261 L CB 1.238 43.306 42.059 0.014 0.000 1.268 261 L HN 0.720 nan 8.230 nan 0.000 0.428 262 c N 3.198 121.811 118.600 0.022 0.000 2.693 262 c HA 0.067 4.682 4.570 0.076 0.000 0.393 262 c C 0.928 175.070 174.090 0.087 0.000 1.348 262 c CA -0.754 55.606 56.329 0.051 0.000 1.508 262 c CB -1.453 41.102 42.510 0.074 0.000 2.295 262 c HN 0.706 nan 8.230 nan 0.000 0.605 263 Q N 3.357 123.214 119.800 0.095 0.000 2.526 263 Q HA 0.492 4.878 4.340 0.076 0.000 0.207 263 Q C 0.423 176.516 176.000 0.155 0.000 1.078 263 Q CA -0.621 55.243 55.803 0.101 0.000 1.041 263 Q CB 0.349 29.134 28.738 0.078 0.000 1.228 263 Q HN 0.720 nan 8.270 nan 0.000 0.603 264 A N -0.135 122.731 122.820 0.076 0.000 2.603 264 A HA 0.305 4.671 4.320 0.076 0.000 0.235 264 A C 1.297 178.916 177.584 0.058 0.000 1.035 264 A CA 0.830 52.889 52.037 0.037 0.000 0.755 264 A CB -1.246 17.705 19.000 -0.082 0.000 0.954 264 A HN 1.402 nan 8.150 nan 0.000 0.511 265 G N 0.410 109.204 108.800 -0.009 0.000 2.179 265 G HA2 -0.257 3.748 3.960 0.076 0.000 0.260 265 G HA3 -0.257 3.748 3.960 0.076 0.000 0.260 265 G C -0.059 174.572 174.900 -0.449 0.000 0.977 265 G CA 0.925 45.903 45.100 -0.204 0.000 0.641 265 G HN 1.070 nan 8.290 nan 0.000 0.533 266 Y N 0.658 120.950 120.300 -0.013 0.000 2.536 266 Y HA 0.622 5.218 4.550 0.077 0.000 0.347 266 Y C 0.288 176.171 175.900 -0.027 0.000 1.000 266 Y CA -0.549 57.531 58.100 -0.034 0.000 1.051 266 Y CB 1.704 40.145 38.460 -0.032 0.000 1.259 266 Y HN 0.442 nan 8.280 nan 0.000 0.468 267 E N 0.284 120.561 120.200 0.129 0.000 2.445 267 E HA 0.442 4.838 4.350 0.076 0.000 0.273 267 E C -1.623 175.003 176.600 0.043 0.000 0.961 267 E CA -1.467 54.963 56.400 0.050 0.000 0.807 267 E CB 2.210 31.899 29.700 -0.017 0.000 1.362 267 E HN 0.421 nan 8.360 nan 0.000 0.453 268 K N 1.496 121.906 120.400 0.015 0.000 2.267 268 K HA 0.304 4.670 4.320 0.076 0.000 0.282 268 K C -1.443 175.153 176.600 -0.007 0.000 1.078 268 K CA -0.517 55.775 56.287 0.008 0.000 0.903 268 K CB 0.961 33.465 32.500 0.006 0.000 1.111 268 K HN 0.376 nan 8.250 nan 0.000 0.475 269 V N 5.980 125.892 119.914 -0.004 0.000 2.350 269 V HA 0.150 4.316 4.120 0.076 0.000 0.285 269 V C 0.337 176.426 176.094 -0.008 0.000 1.014 269 V CA -0.446 61.845 62.300 -0.014 0.000 0.831 269 V CB 0.669 32.481 31.823 -0.020 0.000 1.000 269 V HN 1.115 nan 8.190 nan 0.000 0.433 270 E N 2.664 122.859 120.200 -0.009 0.000 3.141 270 E HA -0.296 4.099 4.350 0.076 0.000 0.398 270 E C 0.015 176.614 176.600 -0.001 0.000 1.504 270 E CA 1.770 58.167 56.400 -0.005 0.000 1.266 270 E CB -0.633 29.065 29.700 -0.004 0.000 1.586 270 E HN 0.792 nan 8.360 nan 0.000 0.497 271 D N 1.064 121.465 120.400 0.002 0.000 2.440 271 D HA 0.465 5.151 4.640 0.076 0.000 0.216 271 D C -0.081 176.221 176.300 0.003 0.000 1.150 271 D CA 0.744 54.746 54.000 0.004 0.000 0.832 271 D CB 1.017 41.821 40.800 0.008 0.000 0.992 271 D HN 0.325 nan 8.370 nan 0.000 0.502 272 A N -0.297 122.524 122.820 0.002 0.000 2.504 272 A HA 0.599 4.964 4.320 0.076 0.000 0.285 272 A C -0.953 176.635 177.584 0.006 0.000 1.261 272 A CA -0.492 51.545 52.037 0.000 0.000 0.741 272 A CB 1.372 20.373 19.000 0.002 0.000 1.327 272 A HN 0.193 nan 8.150 nan 0.000 0.441 273 c N 0.929 119.531 118.600 0.005 0.000 2.319 273 c HA 0.725 5.341 4.570 0.076 0.000 0.335 273 c C -0.240 173.895 174.090 0.076 0.000 1.274 273 c CA -0.475 55.870 56.329 0.027 0.000 1.806 273 c CB 0.489 42.978 42.510 -0.035 0.000 2.329 273 c HN 0.713 nan 8.230 nan 0.000 0.524 274 Q N 1.411 121.293 119.800 0.137 0.000 2.377 274 Q HA 0.590 4.976 4.340 0.076 0.000 0.271 274 Q C -0.343 175.770 176.000 0.188 0.000 1.077 274 Q CA -0.318 55.568 55.803 0.138 0.000 0.820 274 Q CB 2.320 31.078 28.738 0.034 0.000 1.347 274 Q HN 0.872 nan 8.270 nan 0.000 0.444 275 A N 0.988 123.856 122.820 0.080 0.000 2.498 275 A HA 0.155 4.521 4.320 0.076 0.000 0.239 275 A C 0.159 177.643 177.584 -0.166 0.000 1.068 275 A CA -0.261 51.638 52.037 -0.229 0.000 0.766 275 A CB 0.040 18.893 19.000 -0.245 0.000 1.003 275 A HN 0.844 nan 8.150 nan 0.000 0.497 276 c N 2.285 120.763 118.600 -0.203 0.000 2.634 276 c HA 0.253 4.869 4.570 0.076 0.000 0.417 276 c C 1.449 175.492 174.090 -0.078 0.000 1.334 276 c CA -0.125 56.135 56.329 -0.115 0.000 1.829 276 c CB -0.781 41.706 42.510 -0.038 0.000 2.665 276 c HN 0.884 nan 8.230 nan 0.000 0.614 277 S N 4.394 120.023 115.700 -0.119 0.000 2.584 277 S HA 0.174 4.689 4.470 0.076 0.000 0.270 277 S C -2.287 172.397 174.600 0.139 0.000 1.346 277 S CA -0.415 57.752 58.200 -0.056 0.000 1.018 277 S CB 0.129 63.194 63.200 -0.226 0.000 0.899 277 S HN 0.576 nan 8.310 nan 0.000 0.542 278 P HA 0.189 nan 4.420 nan 0.000 0.263 278 P C 0.730 178.165 177.300 0.225 0.000 1.195 278 P CA 0.961 64.140 63.100 0.132 0.000 0.762 278 P CB 0.098 31.843 31.700 0.074 0.000 0.799 279 G N 1.040 109.931 108.800 0.151 0.000 2.141 279 G HA2 -0.223 3.783 3.960 0.076 0.000 0.231 279 G HA3 -0.223 3.783 3.960 0.076 0.000 0.231 279 G C -0.214 174.613 174.900 -0.123 0.000 0.984 279 G CA -0.502 44.612 45.100 0.023 0.000 0.660 279 G HN 0.383 nan 8.290 nan 0.000 0.525 280 F N -0.629 119.344 119.950 0.037 0.000 2.679 280 F HA 0.910 5.483 4.527 0.076 0.000 0.341 280 F C 0.156 176.031 175.800 0.124 0.000 1.095 280 F CA -1.098 56.917 58.000 0.025 0.000 1.004 280 F CB 1.554 40.517 39.000 -0.062 0.000 1.388 280 F HN 0.315 nan 8.300 nan 0.000 0.505 281 F N -0.093 119.971 119.950 0.190 0.000 2.741 281 F HA 0.715 5.287 4.527 0.076 0.000 0.311 281 F C -1.819 174.047 175.800 0.110 0.000 1.149 281 F CA -1.345 56.717 58.000 0.103 0.000 0.930 281 F CB 1.919 40.960 39.000 0.069 0.000 1.312 281 F HN 0.412 nan 8.300 nan 0.000 0.450 282 K N 2.168 122.773 120.400 0.342 0.000 2.589 282 K HA 0.360 4.725 4.320 0.076 0.000 0.253 282 K C -1.621 175.196 176.600 0.361 0.000 0.974 282 K CA -0.540 55.891 56.287 0.240 0.000 0.835 282 K CB 1.500 34.036 32.500 0.061 0.000 1.272 282 K HN 0.735 nan 8.250 nan 0.000 0.444 283 F N 2.746 122.861 119.950 0.274 0.000 2.530 283 F HA 0.268 4.841 4.527 0.076 0.000 0.292 283 F C -0.122 175.747 175.800 0.116 0.000 1.109 283 F CA 0.608 58.716 58.000 0.182 0.000 1.450 283 F CB 0.651 39.753 39.000 0.170 0.000 1.114 283 F HN 0.575 nan 8.300 nan 0.000 0.560 284 E N -0.188 120.086 120.200 0.123 0.000 2.355 284 E HA 0.596 4.991 4.350 0.076 0.000 0.261 284 E C -0.878 175.742 176.600 0.033 0.000 0.943 284 E CA -0.955 55.459 56.400 0.024 0.000 0.806 284 E CB 0.861 30.635 29.700 0.123 0.000 1.286 284 E HN 0.012 nan 8.360 nan 0.000 0.424 285 A N 1.058 123.889 122.820 0.018 0.000 2.527 285 A HA 0.550 4.915 4.320 0.076 0.000 0.313 285 A C -0.301 177.306 177.584 0.038 0.000 1.410 285 A CA -0.206 51.849 52.037 0.030 0.000 1.060 285 A CB -0.775 18.235 19.000 0.017 0.000 1.137 285 A HN 0.539 nan 8.150 nan 0.000 0.542 286 S N 1.122 116.848 115.700 0.044 0.000 2.697 286 S HA 0.528 5.043 4.470 0.076 0.000 0.289 286 S C 0.019 174.637 174.600 0.032 0.000 1.149 286 S CA -0.347 57.877 58.200 0.040 0.000 0.850 286 S CB 1.111 64.340 63.200 0.048 0.000 1.151 286 S HN 0.645 nan 8.310 nan 0.000 0.491 287 E N 0.360 120.576 120.200 0.026 0.000 2.370 287 E HA 0.315 4.710 4.350 0.076 0.000 0.194 287 E C -0.423 176.186 176.600 0.014 0.000 1.057 287 E CA -0.437 55.974 56.400 0.019 0.000 1.011 287 E CB 0.076 29.786 29.700 0.017 0.000 1.132 287 E HN 0.335 nan 8.360 nan 0.000 0.450 288 S N 1.980 117.689 115.700 0.015 0.000 2.608 288 S HA 0.449 4.965 4.470 0.076 0.000 0.291 288 S C -2.249 172.347 174.600 -0.007 0.000 1.146 288 S CA -1.284 56.919 58.200 0.005 0.000 1.043 288 S CB 1.339 64.544 63.200 0.009 0.000 1.037 288 S HN 0.101 nan 8.310 nan 0.000 0.520 289 P HA 0.296 nan 4.420 nan 0.000 0.277 289 P C -0.813 176.450 177.300 -0.062 0.000 1.276 289 P CA -0.669 62.406 63.100 -0.042 0.000 0.788 289 P CB 0.279 31.952 31.700 -0.044 0.000 1.114 290 c N 0.693 119.244 118.600 -0.082 0.000 2.629 290 c HA 0.212 4.828 4.570 0.076 0.000 0.410 290 c C 0.446 174.508 174.090 -0.045 0.000 1.339 290 c CA -0.042 56.231 56.329 -0.093 0.000 1.810 290 c CB -1.647 40.826 42.510 -0.063 0.000 2.549 290 c HN 0.343 nan 8.230 nan 0.000 0.589 291 L N 3.866 124.868 121.223 -0.368 0.000 2.397 291 L HA 0.245 4.631 4.340 0.076 0.000 0.271 291 L C 0.764 177.406 176.870 -0.380 0.000 1.148 291 L CA 0.493 55.080 54.840 -0.423 0.000 0.825 291 L CB 0.328 41.956 42.059 -0.719 0.000 1.117 291 L HN 0.736 nan 8.230 nan 0.000 0.456 292 E N 1.535 121.571 120.200 -0.274 0.000 2.390 292 E HA 0.162 4.558 4.350 0.076 0.000 0.261 292 E C -0.652 175.847 176.600 -0.168 0.000 1.076 292 E CA -0.741 55.283 56.400 -0.628 0.000 0.905 292 E CB 0.472 29.737 29.700 -0.725 0.000 0.984 292 E HN 0.442 nan 8.360 nan 0.000 0.427 293 c N 4.854 123.379 118.600 -0.125 0.000 2.596 293 c HA 0.133 4.749 4.570 0.076 0.000 0.414 293 c C -1.219 172.867 174.090 -0.007 0.000 1.396 293 c CA -0.923 55.445 56.329 0.065 0.000 1.698 293 c CB -1.092 41.404 42.510 -0.024 0.000 2.572 293 c HN 0.770 nan 8.230 nan 0.000 0.604 294 P HA 0.100 nan 4.420 nan 0.000 0.291 294 P C -0.348 176.895 177.300 -0.094 0.000 1.287 294 P CA 0.021 63.108 63.100 -0.021 0.000 0.767 294 P CB 0.523 32.212 31.700 -0.017 0.000 1.290 295 E N -1.564 118.564 120.200 -0.119 0.000 2.349 295 E HA 0.108 4.504 4.350 0.076 0.000 0.265 295 E C -0.189 176.276 176.600 -0.225 0.000 1.064 295 E CA -0.392 55.857 56.400 -0.250 0.000 0.886 295 E CB -0.104 29.409 29.700 -0.313 0.000 1.036 295 E HN 0.437 nan 8.360 nan 0.000 0.413 296 H N -0.751 118.182 119.070 -0.228 0.000 2.677 296 H HA -0.169 4.432 4.556 0.076 0.000 0.321 296 H C -0.500 174.686 175.328 -0.236 0.000 1.171 296 H CA 1.095 56.944 56.048 -0.331 0.000 1.139 296 H CB -1.639 27.774 29.762 -0.583 0.000 1.515 296 H HN 0.365 nan 8.280 nan 0.000 0.423 297 T N 0.055 114.544 114.554 -0.109 0.000 2.883 297 T HA 0.635 5.031 4.350 0.076 0.000 0.296 297 T C 0.018 174.672 174.700 -0.077 0.000 1.117 297 T CA -0.838 61.210 62.100 -0.086 0.000 1.006 297 T CB 1.659 70.473 68.868 -0.091 0.000 1.191 297 T HN 0.228 nan 8.240 nan 0.000 0.508 298 L N 3.740 124.927 121.223 -0.060 0.000 2.292 298 L HA 0.422 4.807 4.340 0.076 0.000 0.284 298 L C -2.015 174.833 176.870 -0.037 0.000 1.065 298 L CA -2.125 52.688 54.840 -0.045 0.000 0.806 298 L CB 1.130 43.168 42.059 -0.035 0.000 1.175 298 L HN 0.525 nan 8.230 nan 0.000 0.431 299 P HA -0.070 nan 4.420 nan 0.000 0.259 299 P C -0.503 176.795 177.300 -0.003 0.000 1.163 299 P CA 0.217 63.304 63.100 -0.022 0.000 0.760 299 P CB 0.350 32.039 31.700 -0.018 0.000 0.762 300 S N 4.199 119.908 115.700 0.016 0.000 2.616 300 S HA 0.690 5.206 4.470 0.076 0.000 0.277 300 S C -2.403 172.220 174.600 0.039 0.000 1.234 300 S CA -1.385 56.835 58.200 0.035 0.000 1.028 300 S CB 0.723 63.967 63.200 0.073 0.000 0.988 300 S HN 0.179 nan 8.310 nan 0.000 0.522 301 P HA 0.461 nan 4.420 nan 0.000 0.279 301 P C -0.056 177.251 177.300 0.012 0.000 1.276 301 P CA -0.421 62.689 63.100 0.016 0.000 0.801 301 P CB -0.098 31.605 31.700 0.004 0.000 1.127 302 E N -0.619 119.575 120.200 -0.010 0.000 2.437 302 E HA 0.363 4.759 4.350 0.076 0.000 0.263 302 E C 1.149 177.691 176.600 -0.096 0.000 1.030 302 E CA 0.068 56.441 56.400 -0.045 0.000 0.934 302 E CB -1.412 28.256 29.700 -0.054 0.000 0.943 302 E HN 0.936 nan 8.360 nan 0.000 0.444 303 G N -0.114 108.584 108.800 -0.171 0.000 2.338 303 G HA2 0.200 4.205 3.960 0.076 0.000 0.296 303 G HA3 0.200 4.205 3.960 0.076 0.000 0.296 303 G C 0.423 175.229 174.900 -0.157 0.000 1.040 303 G CA 0.696 45.613 45.100 -0.305 0.000 1.004 303 G HN 1.900 nan 8.290 nan 0.000 0.509 304 A N -0.150 122.647 122.820 -0.039 0.000 2.309 304 A HA 0.814 5.180 4.320 0.076 0.000 0.298 304 A C 1.418 179.073 177.584 0.119 0.000 1.165 304 A CA 0.757 52.821 52.037 0.044 0.000 0.821 304 A CB 0.708 19.762 19.000 0.090 0.000 1.102 304 A HN 1.424 nan 8.150 nan 0.000 0.500 305 T N -1.297 113.330 114.554 0.123 0.000 3.065 305 T HA 0.329 4.724 4.350 0.076 0.000 0.252 305 T C 0.441 175.321 174.700 0.300 0.000 1.099 305 T CA 0.646 62.876 62.100 0.216 0.000 1.063 305 T CB -0.590 68.354 68.868 0.127 0.000 0.948 305 T HN 1.641 nan 8.240 nan 0.000 0.506 306 S N -0.684 115.090 115.700 0.124 0.000 2.580 306 S HA 0.442 4.957 4.470 0.076 0.000 0.281 306 S C -0.876 173.652 174.600 -0.120 0.000 1.129 306 S CA -1.246 56.871 58.200 -0.138 0.000 0.862 306 S CB 0.257 63.390 63.200 -0.111 0.000 1.090 306 S HN 0.334 nan 8.310 nan 0.000 0.451 307 c N 2.204 120.660 118.600 -0.239 0.000 2.452 307 c HA 0.855 5.471 4.570 0.076 0.000 0.379 307 c C 1.288 175.314 174.090 -0.107 0.000 1.275 307 c CA 0.139 56.397 56.329 -0.118 0.000 2.056 307 c CB -0.283 42.164 42.510 -0.105 0.000 2.506 307 c HN 1.128 nan 8.230 nan 0.000 0.560 308 E N 0.613 120.777 120.200 -0.060 0.000 2.390 308 E HA 0.297 4.693 4.350 0.076 0.000 0.261 308 E C -0.112 176.454 176.600 -0.057 0.000 1.076 308 E CA -0.273 56.097 56.400 -0.049 0.000 0.905 308 E CB 0.392 30.074 29.700 -0.029 0.000 0.984 308 E HN 0.879 nan 8.360 nan 0.000 0.427 309 c N 1.952 120.520 118.600 -0.054 0.000 2.601 309 c HA 0.360 4.976 4.570 0.076 0.000 0.409 309 c C 0.916 174.969 174.090 -0.061 0.000 1.293 309 c CA -0.329 55.962 56.329 -0.062 0.000 2.101 309 c CB 0.004 42.468 42.510 -0.075 0.000 2.639 309 c HN 0.948 nan 8.230 nan 0.000 0.592 310 E N 1.805 121.975 120.200 -0.050 0.000 2.404 310 E HA 0.341 4.737 4.350 0.076 0.000 0.261 310 E C 0.340 176.951 176.600 0.019 0.000 1.074 310 E CA 0.005 56.390 56.400 -0.026 0.000 0.917 310 E CB 0.626 30.294 29.700 -0.054 0.000 0.965 310 E HN 0.797 nan 8.360 nan 0.000 0.433 311 E N 1.818 122.031 120.200 0.023 0.000 2.480 311 E HA 0.209 4.605 4.350 0.076 0.000 0.258 311 E C 0.981 177.603 176.600 0.037 0.000 0.984 311 E CA 0.391 56.789 56.400 -0.004 0.000 0.930 311 E CB -0.272 nan 29.700 nan 0.000 0.936 311 E HN 0.941 nan 8.360 nan 0.000 0.466 312 G N 1.204 109.891 108.800 -0.189 0.000 2.175 312 G HA2 -0.173 3.833 3.960 0.076 0.000 0.244 312 G HA3 -0.173 3.833 3.960 0.076 0.000 0.244 312 G C 0.105 174.522 174.900 -0.805 0.000 0.982 312 G CA 0.184 45.051 45.100 -0.388 0.000 0.641 312 G HN 0.748 nan 8.290 nan 0.000 0.527 313 F N -0.848 118.704 119.950 -0.662 0.000 2.618 313 F HA 0.878 5.450 4.527 0.076 0.000 0.332 313 F C 0.301 175.541 175.800 -0.934 0.000 1.061 313 F CA -1.183 56.448 58.000 -0.615 0.000 0.974 313 F CB 1.457 40.285 39.000 -0.287 0.000 1.310 313 F HN -0.036 nan 8.300 nan 0.000 0.491 314 F N -0.635 119.393 119.950 0.131 0.000 2.726 314 F HA 0.722 5.295 4.527 0.075 0.000 0.324 314 F C -0.676 175.139 175.800 0.024 0.000 1.140 314 F CA -1.227 56.799 58.000 0.043 0.000 0.964 314 F CB 1.764 40.762 39.000 -0.003 0.000 1.399 314 F HN 0.110 nan 8.300 nan 0.000 0.491 315 R N 0.287 120.915 120.500 0.213 0.000 2.698 315 R HA 0.777 5.162 4.340 0.076 0.000 0.275 315 R C -1.265 175.062 176.300 0.046 0.000 1.001 315 R CA -1.147 55.003 56.100 0.082 0.000 0.896 315 R CB 2.365 32.669 30.300 0.006 0.000 1.218 315 R HN 0.794 nan 8.270 nan 0.000 0.462 316 A N 2.709 125.533 122.820 0.007 0.000 2.302 316 A HA 0.409 4.774 4.320 0.076 0.000 0.285 316 A C -1.718 175.845 177.584 -0.035 0.000 1.105 316 A CA -1.344 50.683 52.037 -0.017 0.000 0.816 316 A CB 0.126 19.112 19.000 -0.023 0.000 1.067 316 A HN 0.510 nan 8.150 nan 0.000 0.489 317 P HA -0.125 nan 4.420 nan 0.000 0.242 317 P C 0.361 177.634 177.300 -0.045 0.000 1.198 317 P CA 0.992 64.072 63.100 -0.035 0.000 0.756 317 P CB 0.264 31.953 31.700 -0.017 0.000 0.911 318 Q N -1.886 117.884 119.800 -0.049 0.000 2.211 318 Q HA 0.114 4.499 4.340 0.076 0.000 0.242 318 Q C -0.385 175.573 176.000 -0.068 0.000 0.825 318 Q CA 0.023 55.797 55.803 -0.049 0.000 0.951 318 Q CB -0.259 28.462 28.738 -0.028 0.000 1.130 318 Q HN 0.072 nan 8.270 nan 0.000 0.496 319 D N 5.451 125.805 120.400 -0.078 0.000 2.425 319 D HA 0.225 4.911 4.640 0.076 0.000 0.247 319 D C -2.033 174.180 176.300 -0.145 0.000 1.147 319 D CA -1.007 52.943 54.000 -0.084 0.000 0.879 319 D CB 0.954 41.715 40.800 -0.065 0.000 1.179 319 D HN 0.181 nan 8.370 nan 0.000 0.456 320 P HA 0.126 nan 4.420 nan 0.000 0.275 320 P C -0.083 177.108 177.300 -0.182 0.000 1.228 320 P CA -0.469 62.542 63.100 -0.148 0.000 0.786 320 P CB 0.905 32.580 31.700 -0.042 0.000 0.927 321 A N 1.957 124.603 122.820 -0.291 0.000 2.248 321 A HA -0.070 4.295 4.320 0.076 0.000 0.210 321 A C 1.838 179.212 177.584 -0.351 0.000 1.174 321 A CA 1.269 53.001 52.037 -0.508 0.000 0.750 321 A CB -1.160 17.246 19.000 -0.990 0.000 0.780 321 A HN 0.623 nan 8.150 nan 0.000 0.478 322 S N -1.332 114.383 115.700 0.024 0.000 2.528 322 S HA 0.206 4.722 4.470 0.076 0.000 0.219 322 S C 0.797 175.423 174.600 0.043 0.000 0.985 322 S CA -0.002 58.299 58.200 0.169 0.000 0.914 322 S CB -0.431 62.890 63.200 0.202 0.000 0.776 322 S HN 0.560 nan 8.310 nan 0.000 0.526 323 M N 4.047 123.637 119.600 -0.017 0.000 2.162 323 M HA 0.354 4.879 4.480 0.076 0.000 0.356 323 M C -2.545 173.740 176.300 -0.026 0.000 1.303 323 M CA -2.379 52.911 55.300 -0.016 0.000 1.116 323 M CB 1.161 33.748 32.600 -0.022 0.000 1.632 323 M HN -0.050 nan 8.290 nan 0.000 0.469 324 P HA 0.003 nan 4.420 nan 0.000 0.268 324 P C -0.741 176.580 177.300 0.034 0.000 1.208 324 P CA -0.245 62.865 63.100 0.017 0.000 0.777 324 P CB 0.243 31.983 31.700 0.066 0.000 0.875 325 c N 2.106 120.725 118.600 0.031 0.000 2.653 325 c HA 0.323 4.938 4.570 0.076 0.000 0.421 325 c C 1.512 175.667 174.090 0.108 0.000 1.334 325 c CA 0.417 56.777 56.329 0.051 0.000 1.885 325 c CB -0.759 41.765 42.510 0.023 0.000 2.645 325 c HN 0.692 nan 8.230 nan 0.000 0.601 326 T N 1.592 116.267 114.554 0.202 0.000 2.807 326 T HA 0.862 5.257 4.350 0.076 0.000 0.277 326 T C -0.738 174.140 174.700 0.297 0.000 1.006 326 T CA -0.905 61.339 62.100 0.239 0.000 1.006 326 T CB 1.581 70.525 68.868 0.126 0.000 1.274 326 T HN 0.920 nan 8.240 nan 0.000 0.569 327 R N -1.400 119.200 120.500 0.168 0.000 2.734 327 R HA 0.636 5.022 4.340 0.076 0.000 0.271 327 R C -3.442 172.866 176.300 0.014 0.000 1.021 327 R CA -2.133 54.018 56.100 0.086 0.000 0.893 327 R CB 0.321 30.521 30.300 -0.166 0.000 1.244 327 R HN 0.326 nan 8.270 nan 0.000 0.464 328 P HA 0.073 nan 4.420 nan 0.000 0.267 328 P C -2.378 174.898 177.300 -0.041 0.000 1.201 328 P CA -0.569 62.501 63.100 -0.050 0.000 0.775 328 P CB 0.058 31.715 31.700 -0.071 0.000 0.854 329 P HA 0.110 nan 4.420 nan 0.000 0.278 329 P C -0.275 177.009 177.300 -0.027 0.000 1.266 329 P CA -0.341 62.744 63.100 -0.026 0.000 0.807 329 P CB 0.452 32.139 31.700 -0.022 0.000 1.094 330 S N -0.393 115.291 115.700 -0.027 0.000 2.640 330 S HA 0.540 5.055 4.470 0.076 0.000 0.262 330 S C 0.462 175.055 174.600 -0.012 0.000 1.232 330 S CA -0.611 57.567 58.200 -0.036 0.000 0.988 330 S CB -0.385 62.781 63.200 -0.058 0.000 1.034 330 S HN 0.672 nan 8.310 nan 0.000 0.569 331 A N 0.875 123.678 122.820 -0.029 0.000 2.366 331 A HA 0.535 4.900 4.320 0.076 0.000 0.249 331 A C -2.527 175.082 177.584 0.042 0.000 1.084 331 A CA -1.660 50.374 52.037 -0.006 0.000 0.794 331 A CB -1.088 17.868 19.000 -0.074 0.000 1.034 331 A HN 0.648 nan 8.150 nan 0.000 0.491 332 P HA -0.042 nan 4.420 nan 0.000 0.258 332 P C 0.713 178.068 177.300 0.092 0.000 1.187 332 P CA 0.639 63.824 63.100 0.142 0.000 0.767 332 P CB 0.002 31.741 31.700 0.064 0.000 0.770 333 H N 3.341 122.365 119.070 -0.076 0.000 2.321 333 H HA -0.180 4.421 4.556 0.076 0.000 0.295 333 H C -0.175 174.814 175.328 -0.564 0.000 1.102 333 H CA 1.317 57.145 56.048 -0.366 0.000 1.266 333 H CB 0.146 29.639 29.762 -0.450 0.000 1.363 333 H HN 0.391 nan 8.280 nan 0.000 0.492 334 Y N -0.783 119.548 120.300 0.053 0.000 2.499 334 Y HA 0.413 5.008 4.550 0.076 0.000 0.347 334 Y C -0.963 174.987 175.900 0.083 0.000 0.987 334 Y CA -1.208 56.879 58.100 -0.022 0.000 1.044 334 Y CB 2.188 40.586 38.460 -0.103 0.000 1.245 334 Y HN 0.046 nan 8.280 nan 0.000 0.461 335 L N 2.644 124.005 121.223 0.229 0.000 2.505 335 L HA 0.689 5.074 4.340 0.076 0.000 0.266 335 L C -0.810 176.151 176.870 0.152 0.000 0.954 335 L CA -0.261 54.706 54.840 0.212 0.000 0.852 335 L CB 2.046 44.203 42.059 0.162 0.000 1.282 335 L HN 0.714 nan 8.230 nan 0.000 0.403 336 T N 2.195 116.827 114.554 0.131 0.000 2.807 336 T HA 0.893 5.289 4.350 0.076 0.000 0.279 336 T C -0.321 174.419 174.700 0.068 0.000 0.993 336 T CA -0.177 61.967 62.100 0.074 0.000 0.970 336 T CB 1.686 70.569 68.868 0.026 0.000 0.950 336 T HN 1.002 nan 8.240 nan 0.000 0.441 337 A N 3.387 126.245 122.820 0.063 0.000 2.360 337 A HA 0.682 5.047 4.320 0.076 0.000 0.309 337 A C -0.478 177.126 177.584 0.033 0.000 1.311 337 A CA -0.708 51.357 52.037 0.047 0.000 0.805 337 A CB 0.550 19.621 19.000 0.118 0.000 1.144 337 A HN 0.854 nan 8.150 nan 0.000 0.486 338 V N 1.704 121.615 119.914 -0.005 0.000 2.495 338 V HA 0.621 4.786 4.120 0.076 0.000 0.298 338 V C 0.974 177.058 176.094 -0.016 0.000 1.031 338 V CA -0.087 62.210 62.300 -0.005 0.000 0.871 338 V CB 1.979 33.791 31.823 -0.019 0.000 0.988 338 V HN 0.975 nan 8.190 nan 0.000 0.432 339 G N 3.346 112.148 108.800 0.004 0.000 3.860 339 G HA2 0.469 4.475 3.960 0.076 0.000 0.269 339 G HA3 0.469 4.475 3.960 0.076 0.000 0.269 339 G C 0.314 175.208 174.900 -0.010 0.000 1.112 339 G CA 0.083 45.182 45.100 -0.001 0.000 1.674 339 G HN 0.934 nan 8.290 nan 0.000 0.628 340 M N 1.239 120.823 119.600 -0.027 0.000 2.628 340 M HA 0.578 5.103 4.480 0.076 0.000 0.326 340 M C 1.488 177.770 176.300 -0.030 0.000 1.613 340 M CA 0.432 55.716 55.300 -0.028 0.000 1.387 340 M CB -1.253 31.324 32.600 -0.039 0.000 1.761 340 M HN 1.978 nan 8.290 nan 0.000 0.459 341 G N 2.066 110.855 108.800 -0.019 0.000 2.554 341 G HA2 0.139 4.145 3.960 0.076 0.000 0.253 341 G HA3 0.139 4.145 3.960 0.076 0.000 0.253 341 G C 1.092 175.981 174.900 -0.017 0.000 1.172 341 G CA 1.119 46.207 45.100 -0.019 0.000 0.950 341 G HN 2.316 nan 8.290 nan 0.000 0.557 342 A N -0.050 122.753 122.820 -0.029 0.000 2.085 342 A HA 0.524 4.890 4.320 0.076 0.000 0.208 342 A C 1.212 178.761 177.584 -0.058 0.000 1.191 342 A CA 1.719 53.737 52.037 -0.033 0.000 0.799 342 A CB 0.041 19.021 19.000 -0.032 0.000 0.877 342 A HN 0.637 nan 8.150 nan 0.000 0.473 343 K N 0.087 120.445 120.400 -0.069 0.000 2.090 343 K HA 0.496 4.862 4.320 0.076 0.000 0.250 343 K C -0.558 175.982 176.600 -0.099 0.000 1.004 343 K CA -0.462 55.765 56.287 -0.100 0.000 0.919 343 K CB 1.717 34.158 32.500 -0.099 0.000 1.045 343 K HN 0.164 nan 8.250 nan 0.000 0.471 344 V N -1.172 118.657 119.914 -0.142 0.000 2.495 344 V HA 0.431 4.596 4.120 0.076 0.000 0.298 344 V C -0.760 175.226 176.094 -0.180 0.000 1.031 344 V CA -0.839 61.375 62.300 -0.144 0.000 0.871 344 V CB 1.491 33.219 31.823 -0.157 0.000 0.988 344 V HN 0.735 nan 8.190 nan 0.000 0.432 345 E N 4.122 124.244 120.200 -0.130 0.000 2.134 345 E HA 0.560 4.956 4.350 0.076 0.000 0.278 345 E C -1.150 175.388 176.600 -0.103 0.000 0.959 345 E CA -0.403 55.927 56.400 -0.117 0.000 0.783 345 E CB 1.369 31.015 29.700 -0.089 0.000 1.095 345 E HN 0.851 nan 8.360 nan 0.000 0.399 346 L N 5.864 127.035 121.223 -0.086 0.000 2.262 346 L HA 0.526 4.912 4.340 0.076 0.000 0.288 346 L C 0.132 177.025 176.870 0.038 0.000 1.035 346 L CA -0.482 54.377 54.840 0.032 0.000 0.820 346 L CB 0.863 42.994 42.059 0.121 0.000 1.204 346 L HN 0.406 nan 8.230 nan 0.000 0.424 347 R N 3.580 124.098 120.500 0.031 0.000 2.480 347 R HA 0.519 4.904 4.340 0.076 0.000 0.306 347 R C -1.224 175.109 176.300 0.055 0.000 0.958 347 R CA -0.653 55.374 56.100 -0.121 0.000 0.861 347 R CB 2.038 32.257 30.300 -0.134 0.000 1.171 347 R HN 0.612 nan 8.270 nan 0.000 0.445 348 W N 0.302 121.544 121.300 -0.097 0.000 3.205 348 W HA 0.712 5.418 4.660 0.075 0.000 0.336 348 W C -1.093 175.383 176.519 -0.072 0.000 1.171 348 W CA -1.003 56.293 57.345 -0.082 0.000 1.035 348 W CB 0.863 30.239 29.460 -0.141 0.000 1.500 348 W HN 0.160 nan 8.180 nan 0.000 0.602 349 T N 1.672 116.411 114.554 0.308 0.000 2.903 349 T HA 0.469 4.865 4.350 0.076 0.000 0.299 349 T C -2.750 172.138 174.700 0.312 0.000 1.093 349 T CA -1.538 60.699 62.100 0.227 0.000 1.002 349 T CB 1.445 70.482 68.868 0.282 0.000 1.127 349 T HN 0.121 nan 8.240 nan 0.000 0.488 350 P HA 0.166 nan 4.420 nan 0.000 0.266 350 P C -2.567 174.879 177.300 0.243 0.000 1.193 350 P CA -0.876 62.430 63.100 0.344 0.000 0.770 350 P CB -0.372 31.475 31.700 0.245 0.000 0.836 351 P HA 0.021 nan 4.420 nan 0.000 0.267 351 P C 0.959 178.261 177.300 0.003 0.000 1.200 351 P CA 0.220 63.374 63.100 0.089 0.000 0.772 351 P CB 0.350 32.089 31.700 0.065 0.000 0.855 352 Q N 0.400 120.125 119.800 -0.125 0.000 2.135 352 Q HA -0.168 4.217 4.340 0.076 0.000 0.204 352 Q C 0.314 176.256 176.000 -0.097 0.000 0.981 352 Q CA 1.387 57.063 55.803 -0.211 0.000 0.856 352 Q CB -0.031 28.466 28.738 -0.401 0.000 0.902 352 Q HN 0.504 nan 8.270 nan 0.000 0.425 353 D N -1.186 119.173 120.400 -0.069 0.000 2.425 353 D HA 0.076 4.762 4.640 0.076 0.000 0.240 353 D C 0.195 176.488 176.300 -0.012 0.000 1.080 353 D CA -0.239 53.741 54.000 -0.034 0.000 0.836 353 D CB 1.399 42.176 40.800 -0.039 0.000 1.125 353 D HN -0.006 nan 8.370 nan 0.000 0.525 354 S N 2.196 117.898 115.700 0.004 0.000 2.558 354 S HA 0.227 4.742 4.470 0.076 0.000 0.217 354 S C 1.660 176.265 174.600 0.008 0.000 0.975 354 S CA 0.404 58.609 58.200 0.009 0.000 0.912 354 S CB -0.087 63.124 63.200 0.018 0.000 0.776 354 S HN 0.894 nan 8.310 nan 0.000 0.526 355 G N 0.966 109.775 108.800 0.015 0.000 2.153 355 G HA2 0.049 4.054 3.960 0.076 0.000 0.252 355 G HA3 0.049 4.054 3.960 0.076 0.000 0.252 355 G C 0.994 175.928 174.900 0.057 0.000 0.994 355 G CA 0.223 45.342 45.100 0.033 0.000 0.698 355 G HN 1.875 nan 8.290 nan 0.000 0.521 356 G N -1.550 107.276 108.800 0.045 0.000 2.198 356 G HA2 -0.201 3.805 3.960 0.076 0.000 0.257 356 G HA3 -0.201 3.805 3.960 0.076 0.000 0.257 356 G C 0.227 175.150 174.900 0.038 0.000 1.042 356 G CA 1.133 46.261 45.100 0.047 0.000 0.791 356 G HN 1.049 nan 8.290 nan 0.000 0.502 357 R N -1.135 119.380 120.500 0.026 0.000 2.888 357 R HA 0.617 5.002 4.340 0.076 0.000 0.266 357 R C 0.250 176.555 176.300 0.008 0.000 1.020 357 R CA -0.776 55.333 56.100 0.014 0.000 0.963 357 R CB 1.238 31.541 30.300 0.005 0.000 1.197 357 R HN 0.253 nan 8.270 nan 0.000 0.481 358 E N 0.386 120.588 120.200 0.003 0.000 2.601 358 E HA -0.002 4.394 4.350 0.076 0.000 0.219 358 E C -0.748 175.849 176.600 -0.006 0.000 0.964 358 E CA 0.075 56.478 56.400 0.004 0.000 1.050 358 E CB 0.641 30.347 29.700 0.011 0.000 1.068 358 E HN 0.478 nan 8.360 nan 0.000 0.496 359 D N 1.283 121.671 120.400 -0.020 0.000 3.163 359 D HA 0.128 4.814 4.640 0.076 0.000 0.284 359 D C -0.026 176.234 176.300 -0.066 0.000 1.368 359 D CA -0.299 53.682 54.000 -0.032 0.000 0.895 359 D CB -0.365 40.418 40.800 -0.028 0.000 1.061 359 D HN 0.076 nan 8.370 nan 0.000 0.496 360 I N 0.852 121.368 120.570 -0.090 0.000 2.371 360 I HA 0.212 4.427 4.170 0.076 0.000 0.290 360 I C 0.473 176.411 176.117 -0.297 0.000 1.028 360 I CA -0.904 60.281 61.300 -0.192 0.000 1.345 360 I CB 1.468 39.347 38.000 -0.201 0.000 1.407 360 I HN 0.065 nan 8.210 nan 0.000 0.501 361 V N 3.934 123.636 119.914 -0.354 0.000 2.960 361 V HA 0.596 4.762 4.120 0.076 0.000 0.315 361 V C -1.225 174.590 176.094 -0.464 0.000 1.087 361 V CA -0.846 61.264 62.300 -0.317 0.000 0.982 361 V CB 1.819 33.579 31.823 -0.105 0.000 1.039 361 V HN 0.516 nan 8.190 nan 0.000 0.437 362 Y N 0.871 121.214 120.300 0.072 0.000 2.524 362 Y HA 0.819 5.414 4.550 0.076 0.000 0.344 362 Y C 0.419 176.303 175.900 -0.027 0.000 1.012 362 Y CA -0.431 57.668 58.100 -0.001 0.000 1.068 362 Y CB 2.418 40.893 38.460 0.024 0.000 1.249 362 Y HN 0.942 nan 8.280 nan 0.000 0.468 363 S N 0.425 116.162 115.700 0.062 0.000 2.548 363 S HA 0.815 5.330 4.470 0.076 0.000 0.276 363 S C -1.619 172.925 174.600 -0.094 0.000 1.129 363 S CA -0.790 57.426 58.200 0.028 0.000 0.931 363 S CB 1.265 64.569 63.200 0.174 0.000 1.068 363 S HN 0.385 nan 8.310 nan 0.000 0.480 364 V N 2.756 122.547 119.914 -0.205 0.000 2.513 364 V HA 0.825 4.990 4.120 0.076 0.000 0.299 364 V C 0.361 176.378 176.094 -0.128 0.000 1.035 364 V CA -0.381 61.809 62.300 -0.183 0.000 0.889 364 V CB 1.513 33.219 31.823 -0.194 0.000 0.988 364 V HN 1.174 nan 8.190 nan 0.000 0.440 365 T N 0.268 114.829 114.554 0.013 0.000 2.907 365 T HA 0.726 5.122 4.350 0.076 0.000 0.290 365 T C -0.704 174.073 174.700 0.129 0.000 1.066 365 T CA -0.801 61.334 62.100 0.057 0.000 1.012 365 T CB 1.889 70.756 68.868 -0.001 0.000 1.184 365 T HN 0.911 nan 8.240 nan 0.000 0.522 366 c N 0.851 119.496 118.600 0.074 0.000 2.783 366 c HA 0.765 5.380 4.570 0.076 0.000 0.312 366 c C -1.405 172.635 174.090 -0.084 0.000 1.182 366 c CA -0.296 56.000 56.329 -0.055 0.000 1.432 366 c CB 0.655 43.157 42.510 -0.012 0.000 1.933 366 c HN 1.062 nan 8.230 nan 0.000 0.473 367 E N 2.854 122.957 120.200 -0.162 0.000 2.256 367 E HA 0.467 4.862 4.350 0.076 0.000 0.267 367 E C -1.197 175.287 176.600 -0.192 0.000 0.892 367 E CA -0.510 55.813 56.400 -0.128 0.000 0.775 367 E CB 2.093 31.731 29.700 -0.103 0.000 1.207 367 E HN 0.690 nan 8.360 nan 0.000 0.420 368 Q N 0.883 120.566 119.800 -0.195 0.000 2.274 368 Q HA 0.593 4.978 4.340 0.076 0.000 0.260 368 Q C -1.200 174.648 176.000 -0.252 0.000 0.974 368 Q CA -0.690 54.903 55.803 -0.351 0.000 0.876 368 Q CB 2.010 30.551 28.738 -0.328 0.000 1.297 368 Q HN 0.442 nan 8.270 nan 0.000 0.446 369 c N 1.897 120.311 118.600 -0.309 0.000 2.607 369 c HA 0.303 4.918 4.570 0.076 0.000 0.350 369 c C -1.285 172.729 174.090 -0.126 0.000 1.101 369 c CA -0.896 55.343 56.329 -0.150 0.000 1.282 369 c CB 0.840 43.283 42.510 -0.111 0.000 1.825 369 c HN 0.811 nan 8.230 nan 0.000 0.460 370 W N 5.701 126.902 121.300 -0.165 0.000 2.357 370 W HA 0.367 5.073 4.660 0.076 0.000 0.317 370 W C -2.400 174.050 176.519 -0.114 0.000 1.101 370 W CA -2.261 54.997 57.345 -0.145 0.000 1.380 370 W CB 0.736 30.146 29.460 -0.082 0.000 1.266 370 W HN 0.524 nan 8.180 nan 0.000 0.419 374 G N 0.750 109.566 108.800 0.027 0.000 2.284 374 G HA2 -0.115 3.890 3.960 0.076 0.000 0.230 374 G HA3 -0.115 3.890 3.960 0.076 0.000 0.230 374 G C 0.286 175.202 174.900 0.026 0.000 1.021 374 G CA 1.189 46.302 45.100 0.022 0.000 0.619 374 G HN 1.499 nan 8.290 nan 0.000 0.510 375 E N 0.035 120.255 120.200 0.033 0.000 2.415 375 E HA 0.497 4.893 4.350 0.076 0.000 0.262 375 E C 0.361 176.987 176.600 0.043 0.000 1.038 375 E CA 0.685 57.105 56.400 0.034 0.000 0.921 375 E CB 0.734 30.455 29.700 0.035 0.000 0.950 375 E HN 1.229 nan 8.360 nan 0.000 0.438 376 c N 0.240 118.850 118.600 0.016 0.000 3.080 376 c HA 1.063 5.678 4.570 0.076 0.000 0.307 376 c C 0.748 174.832 174.090 -0.011 0.000 1.311 376 c CA 0.137 56.461 56.329 -0.009 0.000 1.533 376 c CB 1.887 44.382 42.510 -0.024 0.000 1.970 376 c HN 1.293 nan 8.230 nan 0.000 0.467 377 G N 0.987 109.768 108.800 -0.030 0.000 2.506 377 G HA2 0.670 4.676 3.960 0.076 0.000 0.292 377 G HA3 0.670 4.676 3.960 0.076 0.000 0.292 377 G C -3.414 171.465 174.900 -0.035 0.000 1.425 377 G CA -0.577 44.510 45.100 -0.022 0.000 0.788 377 G HN 0.486 nan 8.290 nan 0.000 0.490 378 P HA 0.292 nan 4.420 nan 0.000 0.271 378 P C 0.283 177.582 177.300 -0.002 0.000 1.233 378 P CA -0.302 62.790 63.100 -0.013 0.000 0.789 378 P CB 0.826 32.526 31.700 0.001 0.000 0.951 379 c N 1.307 119.918 118.600 0.019 0.000 2.662 379 c HA 0.070 4.685 4.570 0.076 0.000 0.420 379 c C 1.204 175.332 174.090 0.063 0.000 1.314 379 c CA -0.048 56.315 56.329 0.057 0.000 1.963 379 c CB -1.223 41.343 42.510 0.093 0.000 2.686 379 c HN 0.522 nan 8.230 nan 0.000 0.609 380 E N 1.759 122.001 120.200 0.070 0.000 2.409 380 E HA 0.200 4.595 4.350 0.076 0.000 0.257 380 E C 0.637 177.271 176.600 0.056 0.000 1.150 380 E CA 0.171 56.603 56.400 0.054 0.000 0.942 380 E CB 0.613 30.342 29.700 0.048 0.000 0.979 380 E HN 0.817 nan 8.360 nan 0.000 0.447 381 A N 1.298 124.146 122.820 0.047 0.000 2.235 381 A HA -0.084 4.281 4.320 0.076 0.000 0.208 381 A C 1.794 179.399 177.584 0.036 0.000 1.172 381 A CA 0.964 53.031 52.037 0.049 0.000 0.786 381 A CB -0.304 18.721 19.000 0.042 0.000 0.804 381 A HN 0.487 nan 8.150 nan 0.000 0.479 382 S N -0.265 115.449 115.700 0.024 0.000 2.528 382 S HA 0.125 4.640 4.470 0.076 0.000 0.219 382 S C 0.679 175.266 174.600 -0.022 0.000 0.985 382 S CA 0.343 58.547 58.200 0.006 0.000 0.914 382 S CB -1.124 62.080 63.200 0.006 0.000 0.776 382 S HN 0.831 nan 8.310 nan 0.000 0.526 383 V N 0.084 119.981 119.914 -0.029 0.000 2.488 383 V HA 0.830 4.995 4.120 0.076 0.000 0.277 383 V C 0.194 176.204 176.094 -0.140 0.000 1.046 383 V CA -0.530 61.701 62.300 -0.115 0.000 0.986 383 V CB -0.185 31.562 31.823 -0.127 0.000 0.989 383 V HN 0.651 nan 8.190 nan 0.000 0.475 384 R N 3.033 123.406 120.500 -0.212 0.000 2.787 384 R HA 0.815 5.200 4.340 0.076 0.000 0.271 384 R C -1.205 174.896 176.300 -0.332 0.000 0.993 384 R CA -0.719 55.293 56.100 -0.147 0.000 0.993 384 R CB 1.179 31.440 30.300 -0.065 0.000 1.155 384 R HN 0.882 nan 8.270 nan 0.000 0.486 385 Y N -0.256 120.030 120.300 -0.023 0.000 2.468 385 Y HA 0.299 4.894 4.550 0.076 0.000 0.342 385 Y C 1.561 177.444 175.900 -0.028 0.000 1.021 385 Y CA -0.166 57.915 58.100 -0.032 0.000 1.079 385 Y CB 2.937 41.378 38.460 -0.031 0.000 1.226 385 Y HN 0.737 nan 8.280 nan 0.000 0.460 386 S N -0.349 115.416 115.700 0.109 0.000 2.595 386 S HA 0.053 4.569 4.470 0.076 0.000 0.235 386 S C 0.111 174.750 174.600 0.064 0.000 0.974 386 S CA 0.629 58.860 58.200 0.052 0.000 0.942 386 S CB -0.279 62.929 63.200 0.013 0.000 0.766 386 S HN 0.735 nan 8.310 nan 0.000 0.536 387 E N 0.284 120.547 120.200 0.104 0.000 2.451 387 E HA 0.357 4.753 4.350 0.076 0.000 0.295 387 E C -3.234 173.393 176.600 0.045 0.000 0.966 387 E CA -1.661 54.779 56.400 0.067 0.000 0.808 387 E CB 1.181 30.916 29.700 0.058 0.000 1.242 387 E HN -0.099 nan 8.360 nan 0.000 0.412 388 P HA -0.034 nan 4.420 nan 0.000 0.255 388 P C -2.111 175.102 177.300 -0.145 0.000 1.161 388 P CA -0.544 62.536 63.100 -0.032 0.000 0.768 388 P CB 0.147 31.855 31.700 0.012 0.000 0.746 389 P HA -0.127 nan 4.420 nan 0.000 0.236 389 P C -0.023 176.902 177.300 -0.624 0.000 1.172 389 P CA 1.420 64.104 63.100 -0.694 0.000 0.759 389 P CB 0.111 31.061 31.700 -1.250 0.000 0.843 390 H N -1.574 117.439 119.070 -0.094 0.000 2.731 390 H HA 0.423 5.025 4.556 0.076 0.000 0.368 390 H C 1.275 176.598 175.328 -0.008 0.000 1.168 390 H CA -0.197 55.820 56.048 -0.052 0.000 1.181 390 H CB 1.252 30.980 29.762 -0.057 0.000 1.743 390 H HN -0.014 nan 8.280 nan 0.000 0.547 391 G N 1.162 110.043 108.800 0.135 0.000 2.249 391 G HA2 -0.265 3.740 3.960 0.076 0.000 0.273 391 G HA3 -0.265 3.740 3.960 0.076 0.000 0.273 391 G C -0.289 174.670 174.900 0.099 0.000 1.036 391 G CA -0.152 44.997 45.100 0.081 0.000 0.824 391 G HN 0.279 nan 8.290 nan 0.000 0.504 392 L N 0.782 122.099 121.223 0.156 0.000 2.410 392 L HA 0.505 4.891 4.340 0.076 0.000 0.273 392 L C 1.937 178.991 176.870 0.306 0.000 1.152 392 L CA 1.303 56.294 54.840 0.251 0.000 0.855 392 L CB 1.300 43.595 42.059 0.393 0.000 1.129 392 L HN 0.439 nan 8.230 nan 0.000 0.463 393 T N 0.087 114.787 114.554 0.244 0.000 3.000 393 T HA 0.210 4.605 4.350 0.076 0.000 0.248 393 T C 1.133 176.001 174.700 0.279 0.000 1.034 393 T CA -0.265 61.977 62.100 0.238 0.000 1.060 393 T CB 0.093 69.032 68.868 0.118 0.000 0.983 393 T HN 0.337 nan 8.240 nan 0.000 0.482 394 R N 2.100 122.711 120.500 0.184 0.000 2.774 394 R HA 0.283 4.669 4.340 0.076 0.000 0.269 394 R C 0.630 176.878 176.300 -0.087 0.000 1.068 394 R CA 0.833 56.950 56.100 0.028 0.000 1.180 394 R CB 0.296 30.569 30.300 -0.045 0.000 1.077 394 R HN 0.446 nan 8.270 nan 0.000 0.513 395 T N -2.059 112.196 114.554 -0.499 0.000 3.275 395 T HA 0.232 4.628 4.350 0.076 0.000 0.265 395 T C -0.405 173.081 174.700 -2.022 0.000 0.978 395 T CA -0.456 60.831 62.100 -1.355 0.000 0.923 395 T CB -0.267 68.098 68.868 -0.839 0.000 1.126 395 T HN 0.537 nan 8.240 nan 0.000 0.538 396 S N -0.133 114.601 115.700 -1.610 0.000 2.608 396 S HA 0.635 5.151 4.470 0.076 0.000 0.285 396 S C -1.210 173.153 174.600 -0.395 0.000 1.108 396 S CA -0.563 57.000 58.200 -1.061 0.000 0.858 396 S CB 1.223 64.076 63.200 -0.579 0.000 1.077 396 S HN 1.081 nan 8.310 nan 0.000 0.450 397 V N -1.157 118.694 119.914 -0.104 0.000 3.120 397 V HA 0.836 5.001 4.120 0.076 0.000 0.303 397 V C -0.470 175.629 176.094 0.007 0.000 1.238 397 V CA -0.766 61.562 62.300 0.047 0.000 1.008 397 V CB 1.341 33.301 31.823 0.228 0.000 1.064 397 V HN 0.986 nan 8.190 nan 0.000 0.434 398 T N 2.489 117.037 114.554 -0.010 0.000 2.767 398 T HA 0.664 5.059 4.350 0.076 0.000 0.284 398 T C -0.282 174.344 174.700 -0.122 0.000 0.973 398 T CA -0.340 61.715 62.100 -0.076 0.000 0.996 398 T CB 1.394 70.218 68.868 -0.073 0.000 0.927 398 T HN 0.732 nan 8.240 nan 0.000 0.456 399 V N 3.970 123.742 119.914 -0.236 0.000 2.398 399 V HA 0.661 4.826 4.120 0.076 0.000 0.286 399 V C 0.271 176.193 176.094 -0.287 0.000 1.026 399 V CA -0.761 61.310 62.300 -0.381 0.000 0.868 399 V CB 1.310 32.819 31.823 -0.524 0.000 0.982 399 V HN 1.072 nan 8.190 nan 0.000 0.443 400 S N 2.058 117.595 115.700 -0.271 0.000 2.745 400 S HA 0.699 5.214 4.470 0.076 0.000 0.306 400 S C -0.404 174.085 174.600 -0.184 0.000 1.137 400 S CA -0.627 57.459 58.200 -0.189 0.000 0.900 400 S CB 1.648 64.769 63.200 -0.131 0.000 1.176 400 S HN 0.794 nan 8.310 nan 0.000 0.520 401 D N 0.088 120.410 120.400 -0.130 0.000 2.956 401 D HA -0.128 4.557 4.640 0.076 0.000 0.240 401 D C -1.169 175.055 176.300 -0.127 0.000 1.141 401 D CA 0.554 54.492 54.000 -0.102 0.000 0.820 401 D CB -1.421 39.330 40.800 -0.082 0.000 0.988 401 D HN 0.597 nan 8.370 nan 0.000 0.417 402 L N 1.072 122.214 121.223 -0.134 0.000 2.346 402 L HA 0.440 4.826 4.340 0.076 0.000 0.274 402 L C 0.872 177.740 176.870 -0.003 0.000 1.007 402 L CA -0.959 53.781 54.840 -0.167 0.000 0.818 402 L CB 1.855 43.687 42.059 -0.378 0.000 1.284 402 L HN 0.073 nan 8.230 nan 0.000 0.424 403 E N 3.352 123.625 120.200 0.122 0.000 2.316 403 E HA 0.235 4.630 4.350 0.076 0.000 0.275 403 E C -2.280 174.360 176.600 0.067 0.000 1.029 403 E CA -1.650 54.781 56.400 0.052 0.000 0.871 403 E CB 1.082 30.750 29.700 -0.053 0.000 1.022 403 E HN 0.260 nan 8.360 nan 0.000 0.418 404 P HA -0.067 nan 4.420 nan 0.000 0.267 404 P C -0.003 177.348 177.300 0.084 0.000 1.200 404 P CA 0.579 63.719 63.100 0.068 0.000 0.772 404 P CB 0.364 32.103 31.700 0.065 0.000 0.855 405 H N -0.694 118.369 119.070 -0.011 0.000 4.581 405 H HA -0.250 4.352 4.556 0.076 0.000 0.115 405 H C 0.308 175.565 175.328 -0.119 0.000 0.667 405 H CA 0.822 56.855 56.048 -0.024 0.000 1.233 405 H CB -0.740 29.034 29.762 0.019 0.000 0.683 405 H HN 0.387 nan 8.280 nan 0.000 0.567 406 M N 2.876 122.288 119.600 -0.313 0.000 2.248 406 M HA 0.080 4.606 4.480 0.076 0.000 0.345 406 M C 0.288 176.316 176.300 -0.454 0.000 1.243 406 M CA 0.452 55.400 55.300 -0.587 0.000 1.090 406 M CB 0.307 32.433 32.600 -0.790 0.000 1.683 406 M HN 0.337 nan 8.290 nan 0.000 0.450 407 N N 4.131 122.557 118.700 -0.457 0.000 2.439 407 N HA 0.153 4.938 4.740 0.076 0.000 0.243 407 N C -2.075 173.222 175.510 -0.355 0.000 1.088 407 N CA 0.010 52.894 53.050 -0.277 0.000 0.940 407 N CB -0.125 38.251 38.487 -0.185 0.000 1.180 407 N HN 0.543 nan 8.380 nan 0.000 0.505 408 Y N 1.672 121.876 120.300 -0.160 0.000 2.327 408 Y HA 0.273 4.868 4.550 0.076 0.000 0.336 408 Y C 0.624 176.330 175.900 -0.322 0.000 1.035 408 Y CA -0.455 57.462 58.100 -0.306 0.000 1.165 408 Y CB 1.380 39.632 38.460 -0.348 0.000 1.181 408 Y HN 0.275 nan 8.280 nan 0.000 0.494 409 T N 5.538 119.937 114.554 -0.257 0.000 2.772 409 T HA 0.426 4.822 4.350 0.076 0.000 0.288 409 T C -0.830 173.714 174.700 -0.259 0.000 0.994 409 T CA -0.579 61.430 62.100 -0.151 0.000 0.951 409 T CB -0.170 68.659 68.868 -0.064 0.000 0.933 409 T HN 0.226 nan 8.240 nan 0.000 0.447 410 F N 2.434 122.440 119.950 0.094 0.000 2.420 410 F HA 0.482 5.055 4.527 0.076 0.000 0.342 410 F C 1.190 177.024 175.800 0.057 0.000 1.113 410 F CA -0.923 57.125 58.000 0.081 0.000 1.059 410 F CB 1.473 40.527 39.000 0.090 0.000 1.128 410 F HN 0.390 nan 8.300 nan 0.000 0.475 411 T N 1.508 116.172 114.554 0.183 0.000 2.770 411 T HA 0.572 4.967 4.350 0.076 0.000 0.283 411 T C -1.088 173.633 174.700 0.035 0.000 0.988 411 T CA -0.783 61.391 62.100 0.123 0.000 0.957 411 T CB 1.210 70.097 68.868 0.031 0.000 0.930 411 T HN 0.512 nan 8.240 nan 0.000 0.443 412 V N 3.992 123.893 119.914 -0.021 0.000 2.370 412 V HA 0.537 4.702 4.120 0.076 0.000 0.283 412 V C -0.088 175.948 176.094 -0.098 0.000 1.023 412 V CA -0.623 61.539 62.300 -0.230 0.000 0.857 412 V CB 0.955 32.383 31.823 -0.657 0.000 0.985 412 V HN 1.072 nan 8.190 nan 0.000 0.443 413 E N 5.373 125.541 120.200 -0.054 0.000 2.214 413 E HA 0.754 5.150 4.350 0.076 0.000 0.274 413 E C -0.688 175.951 176.600 0.065 0.000 0.977 413 E CA -0.733 55.700 56.400 0.055 0.000 0.827 413 E CB 1.925 31.639 29.700 0.024 0.000 1.130 413 E HN 0.876 nan 8.360 nan 0.000 0.394 414 A N 4.616 127.481 122.820 0.075 0.000 2.318 414 A HA 0.628 4.993 4.320 0.076 0.000 0.324 414 A C -0.753 176.794 177.584 -0.062 0.000 1.170 414 A CA -0.633 51.406 52.037 0.003 0.000 0.810 414 A CB 0.747 19.792 19.000 0.075 0.000 1.198 414 A HN 0.683 nan 8.150 nan 0.000 0.484 415 R N 1.868 122.285 120.500 -0.139 0.000 2.604 415 R HA 0.417 4.802 4.340 0.076 0.000 0.281 415 R C -0.887 175.335 176.300 -0.130 0.000 1.020 415 R CA -0.820 55.214 56.100 -0.109 0.000 0.899 415 R CB 2.003 32.249 30.300 -0.090 0.000 1.205 415 R HN 0.932 nan 8.270 nan 0.000 0.450 416 N N -0.033 118.609 118.700 -0.098 0.000 2.989 416 N HA 0.259 5.045 4.740 0.076 0.000 0.338 416 N C 1.026 176.493 175.510 -0.072 0.000 1.369 416 N CA -0.578 52.422 53.050 -0.083 0.000 0.794 416 N CB -0.166 38.285 38.487 -0.061 0.000 1.359 416 N HN 0.444 nan 8.380 nan 0.000 0.609 417 G N -1.106 107.662 108.800 -0.054 0.000 2.462 417 G HA2 -0.172 3.834 3.960 0.076 0.000 0.220 417 G HA3 -0.172 3.834 3.960 0.076 0.000 0.220 417 G C 0.902 175.764 174.900 -0.063 0.000 1.121 417 G CA 1.497 46.567 45.100 -0.050 0.000 0.758 417 G HN 0.698 nan 8.290 nan 0.000 0.559 418 V N -2.462 117.411 119.914 -0.068 0.000 3.444 418 V HA 0.317 4.483 4.120 0.076 0.000 0.308 418 V C 1.994 177.971 176.094 -0.195 0.000 1.371 418 V CA 0.803 63.035 62.300 -0.113 0.000 1.141 418 V CB 0.304 32.099 31.823 -0.047 0.000 1.037 418 V HN 0.106 nan 8.190 nan 0.000 0.433 419 S N 2.238 117.850 115.700 -0.146 0.000 2.383 419 S HA -0.014 4.501 4.470 0.076 0.000 0.227 419 S C 1.966 176.461 174.600 -0.175 0.000 1.026 419 S CA 1.659 59.768 58.200 -0.152 0.000 0.981 419 S CB -0.465 62.670 63.200 -0.108 0.000 0.818 419 S HN 0.811 nan 8.310 nan 0.000 0.472 420 G N 0.621 109.327 108.800 -0.158 0.000 2.708 420 G HA2 -0.005 4.001 3.960 0.076 0.000 0.210 420 G HA3 -0.005 4.001 3.960 0.076 0.000 0.210 420 G C 0.923 175.710 174.900 -0.188 0.000 1.141 420 G CA 0.270 45.283 45.100 -0.147 0.000 0.788 420 G HN 0.461 nan 8.290 nan 0.000 0.531 421 L N -0.104 120.942 121.223 -0.295 0.000 2.667 421 L HA 0.409 4.794 4.340 0.076 0.000 0.232 421 L C 0.103 176.671 176.870 -0.503 0.000 1.138 421 L CA -0.146 54.446 54.840 -0.414 0.000 0.921 421 L CB 0.884 42.588 42.059 -0.592 0.000 1.180 421 L HN 0.032 nan 8.230 nan 0.000 0.487 422 V N -1.234 118.465 119.914 -0.359 0.000 3.007 422 V HA 0.218 4.383 4.120 0.076 0.000 0.311 422 V C 1.066 177.077 176.094 -0.139 0.000 1.120 422 V CA 0.020 62.173 62.300 -0.246 0.000 0.980 422 V CB 2.387 34.066 31.823 -0.241 0.000 1.033 422 V HN 0.289 nan 8.190 nan 0.000 0.429 423 T N 0.217 114.720 114.554 -0.086 0.000 3.035 423 T HA 0.080 4.475 4.350 0.076 0.000 0.259 423 T C 1.165 175.841 174.700 -0.039 0.000 1.078 423 T CA 1.011 63.076 62.100 -0.058 0.000 1.132 423 T CB -0.018 68.827 68.868 -0.039 0.000 0.900 423 T HN 0.642 nan 8.240 nan 0.000 0.480 424 S N 1.312 116.993 115.700 -0.033 0.000 2.576 424 S HA 0.324 4.839 4.470 0.076 0.000 0.272 424 S C -0.108 174.500 174.600 0.013 0.000 1.352 424 S CA -0.565 57.633 58.200 -0.004 0.000 1.021 424 S CB 0.110 63.304 63.200 -0.010 0.000 0.887 424 S HN 0.358 nan 8.310 nan 0.000 0.542 425 R N 1.931 122.479 120.500 0.079 0.000 2.740 425 R HA 0.478 4.864 4.340 0.076 0.000 0.282 425 R C -1.207 175.220 176.300 0.211 0.000 0.969 425 R CA -0.647 55.543 56.100 0.151 0.000 0.918 425 R CB 1.631 32.048 30.300 0.195 0.000 1.175 425 R HN 0.553 nan 8.270 nan 0.000 0.464 426 S N 2.985 118.798 115.700 0.188 0.000 2.669 426 S HA 0.621 5.136 4.470 0.076 0.000 0.315 426 S C -0.845 173.867 174.600 0.185 0.000 1.106 426 S CA -0.730 57.526 58.200 0.094 0.000 1.107 426 S CB 0.174 63.384 63.200 0.017 0.000 0.990 426 S HN 0.486 nan 8.310 nan 0.000 0.471 427 F N 0.486 120.418 119.950 -0.030 0.000 2.685 427 F HA 0.808 5.380 4.527 0.076 0.000 0.315 427 F C -0.798 174.984 175.800 -0.029 0.000 1.126 427 F CA -1.469 56.509 58.000 -0.038 0.000 0.950 427 F CB 1.383 40.359 39.000 -0.040 0.000 1.360 427 F HN 0.346 nan 8.300 nan 0.000 0.469 428 R N 0.622 121.180 120.500 0.097 0.000 2.673 428 R HA 0.664 5.050 4.340 0.076 0.000 0.281 428 R C -1.475 174.904 176.300 0.133 0.000 0.991 428 R CA -0.501 55.609 56.100 0.018 0.000 0.896 428 R CB 2.297 32.594 30.300 -0.005 0.000 1.201 428 R HN 1.038 nan 8.270 nan 0.000 0.457 429 T N 0.126 114.752 114.554 0.120 0.000 2.918 429 T HA 0.887 5.282 4.350 0.076 0.000 0.286 429 T C -0.627 174.150 174.700 0.129 0.000 1.026 429 T CA -0.815 61.378 62.100 0.154 0.000 1.031 429 T CB 1.969 70.935 68.868 0.162 0.000 1.046 429 T HN 0.627 nan 8.240 nan 0.000 0.479 430 A N 1.344 124.263 122.820 0.165 0.000 2.513 430 A HA 0.679 5.044 4.320 0.076 0.000 0.296 430 A C -0.473 177.241 177.584 0.216 0.000 1.052 430 A CA -0.880 51.258 52.037 0.167 0.000 0.714 430 A CB 1.449 20.549 19.000 0.166 0.000 1.279 430 A HN 0.786 nan 8.150 nan 0.000 0.397 431 S N 0.466 116.262 115.700 0.160 0.000 2.509 431 S HA 0.788 5.303 4.470 0.076 0.000 0.297 431 S C -0.034 174.671 174.600 0.175 0.000 1.118 431 S CA -0.511 57.782 58.200 0.155 0.000 1.074 431 S CB 1.551 64.797 63.200 0.076 0.000 1.038 431 S HN 0.846 nan 8.310 nan 0.000 0.498 439 P HA 0.461 nan 4.420 nan 0.000 0.278 439 P C -2.663 174.728 177.300 0.152 0.000 1.258 439 P CA -1.809 61.361 63.100 0.116 0.000 0.811 439 P CB 0.057 31.812 31.700 0.093 0.000 1.063 440 P HA 0.153 nan 4.420 nan 0.000 0.271 440 P C -0.256 177.148 177.300 0.174 0.000 1.226 440 P CA 0.100 63.316 63.100 0.195 0.000 0.765 440 P CB 0.339 32.075 31.700 0.060 0.000 0.835 441 K N 3.138 123.657 120.400 0.199 0.000 2.284 441 K HA 0.287 4.653 4.320 0.076 0.000 0.287 441 K C -0.664 176.048 176.600 0.186 0.000 1.081 441 K CA -0.460 55.931 56.287 0.173 0.000 0.910 441 K CB 0.463 33.046 32.500 0.140 0.000 1.088 441 K HN 0.246 nan 8.250 nan 0.000 0.478 442 V N 5.828 125.817 119.914 0.125 0.000 2.513 442 V HA 0.610 4.776 4.120 0.076 0.000 0.299 442 V C -0.879 175.246 176.094 0.052 0.000 1.035 442 V CA -0.596 61.764 62.300 0.100 0.000 0.889 442 V CB 1.324 33.141 31.823 -0.010 0.000 0.988 442 V HN 0.904 nan 8.190 nan 0.000 0.440 443 R N 4.986 125.528 120.500 0.071 0.000 2.836 443 R HA 0.656 5.041 4.340 0.076 0.000 0.269 443 R C -1.693 174.508 176.300 -0.165 0.000 1.010 443 R CA -1.068 55.041 56.100 0.014 0.000 0.930 443 R CB 1.801 32.114 30.300 0.022 0.000 1.218 443 R HN 0.636 nan 8.270 nan 0.000 0.473 444 L N 1.666 122.677 121.223 -0.354 0.000 2.319 444 L HA 0.183 4.569 4.340 0.076 0.000 0.280 444 L C 0.714 177.453 176.870 -0.219 0.000 1.099 444 L CA -0.124 54.449 54.840 -0.445 0.000 0.828 444 L CB 1.670 43.356 42.059 -0.622 0.000 1.150 444 L HN 0.829 nan 8.230 nan 0.000 0.442 445 E N 1.850 121.943 120.200 -0.177 0.000 2.474 445 E HA 0.316 4.711 4.350 0.076 0.000 0.195 445 E C 0.470 177.006 176.600 -0.108 0.000 1.039 445 E CA 0.376 56.702 56.400 -0.122 0.000 0.881 445 E CB 1.087 30.720 29.700 -0.113 0.000 0.970 445 E HN 0.964 nan 8.360 nan 0.000 0.486 446 G N 0.729 109.454 108.800 -0.126 0.000 2.325 446 G HA2 0.436 4.442 3.960 0.076 0.000 0.297 446 G HA3 0.436 4.442 3.960 0.076 0.000 0.297 446 G C -1.259 173.582 174.900 -0.098 0.000 1.448 446 G CA -0.537 44.506 45.100 -0.095 0.000 0.838 446 G HN 0.230 nan 8.290 nan 0.000 0.579 447 R N -1.671 118.791 120.500 -0.064 0.000 2.733 447 R HA 0.876 5.261 4.340 0.076 0.000 0.272 447 R C -0.314 175.972 176.300 -0.023 0.000 1.029 447 R CA -0.177 55.896 56.100 -0.045 0.000 0.888 447 R CB 1.359 31.640 30.300 -0.033 0.000 1.251 447 R HN 1.866 nan 8.270 nan 0.000 0.464 448 S N -0.303 115.393 115.700 -0.008 0.000 2.930 448 S HA 0.738 5.253 4.470 0.076 0.000 0.306 448 S C -0.808 173.803 174.600 0.019 0.000 1.238 448 S CA 0.087 58.288 58.200 0.001 0.000 1.000 448 S CB 1.712 64.907 63.200 -0.008 0.000 1.342 448 S HN 1.061 nan 8.310 nan 0.000 0.575 452 L N 2.833 124.010 121.223 -0.076 0.000 2.456 452 L HA 0.387 4.773 4.340 0.076 0.000 0.277 452 L C 0.101 176.907 176.870 -0.108 0.000 1.124 452 L CA 0.131 54.921 54.840 -0.082 0.000 0.880 452 L CB 0.756 42.783 42.059 -0.053 0.000 1.192 452 L HN 0.424 nan 8.230 nan 0.000 0.463 453 S N 3.817 119.449 115.700 -0.113 0.000 2.430 453 S HA 0.544 5.059 4.470 0.076 0.000 0.289 453 S C -0.364 174.159 174.600 -0.129 0.000 1.143 453 S CA -0.643 57.493 58.200 -0.106 0.000 1.067 453 S CB 0.658 63.800 63.200 -0.097 0.000 0.964 453 S HN 0.300 nan 8.310 nan 0.000 0.485 454 V N 4.611 124.486 119.914 -0.065 0.000 2.715 454 V HA 0.825 4.990 4.120 0.076 0.000 0.310 454 V C -0.045 176.057 176.094 0.013 0.000 1.054 454 V CA -0.652 61.642 62.300 -0.010 0.000 0.928 454 V CB 2.072 33.979 31.823 0.139 0.000 1.007 454 V HN 1.003 nan 8.190 nan 0.000 0.437 455 S N 2.292 118.005 115.700 0.020 0.000 2.588 455 S HA 0.914 5.429 4.470 0.076 0.000 0.275 455 S C -1.416 173.252 174.600 0.113 0.000 1.130 455 S CA -0.752 57.366 58.200 -0.138 0.000 0.855 455 S CB 2.346 65.428 63.200 -0.196 0.000 1.116 455 S HN 1.137 nan 8.310 nan 0.000 0.472 456 W N 0.046 121.338 121.300 -0.013 0.000 2.961 456 W HA 0.844 5.550 4.660 0.076 0.000 0.368 456 W C -1.212 175.337 176.519 0.050 0.000 1.213 456 W CA -0.399 56.946 57.345 0.000 0.000 1.173 456 W CB 0.538 29.981 29.460 -0.029 0.000 1.487 456 W HN 1.307 nan 8.180 nan 0.000 0.585 457 S N 0.538 116.444 115.700 0.344 0.000 2.543 457 S HA 0.767 5.282 4.470 0.076 0.000 0.274 457 S C -1.384 173.365 174.600 0.248 0.000 1.149 457 S CA -0.684 57.610 58.200 0.157 0.000 0.866 457 S CB 1.205 64.379 63.200 -0.045 0.000 1.111 457 S HN 1.367 nan 8.310 nan 0.000 0.457 458 I N -1.918 118.793 120.570 0.233 0.000 2.752 458 I HA 0.701 4.916 4.170 0.076 0.000 0.295 458 I C -2.971 173.235 176.117 0.149 0.000 1.219 458 I CA -2.383 59.058 61.300 0.236 0.000 1.030 458 I CB 1.866 40.082 38.000 0.360 0.000 1.259 458 I HN 0.419 nan 8.210 nan 0.000 0.423 459 P HA 0.057 nan 4.420 nan 0.000 0.261 459 P C -2.177 175.177 177.300 0.090 0.000 1.173 459 P CA -0.567 62.578 63.100 0.075 0.000 0.760 459 P CB 0.037 31.783 31.700 0.077 0.000 0.783 460 P HA -0.175 nan 4.420 nan 0.000 0.218 460 P C -0.888 176.464 177.300 0.086 0.000 1.154 460 P CA 2.411 65.549 63.100 0.063 0.000 0.872 460 P CB -1.665 30.052 31.700 0.028 0.000 0.790 461 P HA -0.162 nan 4.420 nan 0.000 0.218 461 P C 1.472 178.829 177.300 0.095 0.000 1.148 461 P CA 1.593 64.739 63.100 0.077 0.000 0.822 461 P CB -0.253 31.488 31.700 0.068 0.000 0.784 462 Q N -0.672 119.197 119.800 0.115 0.000 2.389 462 Q HA 0.001 4.386 4.340 0.076 0.000 0.204 462 Q C 2.388 178.485 176.000 0.162 0.000 0.944 462 Q CA 0.688 56.569 55.803 0.131 0.000 0.908 462 Q CB -0.348 28.477 28.738 0.144 0.000 1.002 462 Q HN 0.351 nan 8.270 nan 0.000 0.493 463 Q N -0.917 118.999 119.800 0.194 0.000 2.291 463 Q HA -0.143 4.243 4.340 0.076 0.000 0.206 463 Q C 1.894 178.002 176.000 0.179 0.000 0.976 463 Q CA 1.272 57.231 55.803 0.259 0.000 0.875 463 Q CB -0.066 28.854 28.738 0.303 0.000 0.927 463 Q HN 0.237 nan 8.270 nan 0.000 0.450 464 S N -0.020 115.760 115.700 0.133 0.000 2.428 464 S HA -0.132 4.383 4.470 0.076 0.000 0.230 464 S C 2.177 176.843 174.600 0.109 0.000 1.014 464 S CA 1.128 59.393 58.200 0.109 0.000 0.957 464 S CB -0.021 63.235 63.200 0.093 0.000 0.784 464 S HN 0.476 nan 8.310 nan 0.000 0.499 465 R N 0.952 121.513 120.500 0.102 0.000 2.090 465 R HA 0.250 4.636 4.340 0.076 0.000 0.228 465 R C 1.350 177.700 176.300 0.084 0.000 1.110 465 R CA 1.224 57.378 56.100 0.090 0.000 0.973 465 R CB -1.858 28.487 30.300 0.075 0.000 0.869 465 R HN 0.658 nan 8.270 nan 0.000 0.440 466 V N -2.437 117.497 119.914 0.033 0.000 2.521 466 V HA 0.113 4.279 4.120 0.076 0.000 0.286 466 V C 1.029 177.110 176.094 -0.021 0.000 1.034 466 V CA -0.999 61.246 62.300 -0.091 0.000 1.045 466 V CB 0.735 32.329 31.823 -0.381 0.000 0.974 466 V HN 0.534 nan 8.190 nan 0.000 0.480 467 W N 4.501 125.687 121.300 -0.190 0.000 2.488 467 W HA 0.269 4.974 4.660 0.076 0.000 0.304 467 W C 0.801 177.223 176.519 -0.162 0.000 1.175 467 W CA 0.361 57.627 57.345 -0.132 0.000 1.365 467 W CB 0.453 29.857 29.460 -0.093 0.000 1.131 467 W HN 0.594 nan 8.180 nan 0.000 0.520 468 K N -0.862 119.483 120.400 -0.091 0.000 2.551 468 K HA 0.200 4.566 4.320 0.076 0.000 0.269 468 K C -1.999 174.446 176.600 -0.259 0.000 0.949 468 K CA -0.731 55.456 56.287 -0.167 0.000 0.849 468 K CB 2.244 34.732 32.500 -0.020 0.000 1.411 468 K HN -0.336 nan 8.250 nan 0.000 0.432 469 Y N 0.931 121.209 120.300 -0.038 0.000 2.323 469 Y HA 0.241 4.836 4.550 0.076 0.000 0.331 469 Y C 0.150 175.982 175.900 -0.114 0.000 1.092 469 Y CA -0.386 57.648 58.100 -0.110 0.000 1.150 469 Y CB 1.461 39.813 38.460 -0.179 0.000 1.200 469 Y HN 0.446 nan 8.280 nan 0.000 0.472 470 E N 2.624 122.824 120.200 -0.001 0.000 2.114 470 E HA 0.457 4.852 4.350 0.076 0.000 0.266 470 E C -1.626 174.938 176.600 -0.060 0.000 0.896 470 E CA -0.566 55.827 56.400 -0.013 0.000 0.750 470 E CB 0.986 30.686 29.700 -0.000 0.000 1.121 470 E HN 0.448 nan 8.360 nan 0.000 0.413 471 V N 4.342 124.236 119.914 -0.033 0.000 2.406 471 V HA 0.271 4.437 4.120 0.076 0.000 0.272 471 V C 0.008 176.161 176.094 0.099 0.000 1.043 471 V CA -0.243 62.054 62.300 -0.004 0.000 0.915 471 V CB 1.551 33.399 31.823 0.042 0.000 0.988 471 V HN 0.702 nan 8.190 nan 0.000 0.466 472 T N 5.724 120.335 114.554 0.096 0.000 2.792 472 T HA 0.649 5.044 4.350 0.076 0.000 0.280 472 T C -0.977 173.831 174.700 0.181 0.000 0.990 472 T CA -0.266 61.891 62.100 0.096 0.000 0.960 472 T CB 0.854 69.755 68.868 0.056 0.000 0.939 472 T HN 0.616 nan 8.240 nan 0.000 0.439 473 Y N 0.831 121.197 120.300 0.110 0.000 2.346 473 Y HA 0.776 5.371 4.550 0.076 0.000 0.332 473 Y C -0.402 175.607 175.900 0.181 0.000 0.985 473 Y CA -1.384 56.777 58.100 0.101 0.000 1.112 473 Y CB 1.122 39.585 38.460 0.006 0.000 1.170 473 Y HN 0.508 nan 8.280 nan 0.000 0.447 474 R N 2.698 123.371 120.500 0.289 0.000 2.873 474 R HA 0.553 4.939 4.340 0.076 0.000 0.264 474 R C -1.228 175.290 176.300 0.363 0.000 1.026 474 R CA -1.160 55.101 56.100 0.268 0.000 1.002 474 R CB 1.865 32.251 30.300 0.143 0.000 1.174 474 R HN 0.896 nan 8.270 nan 0.000 0.488 475 K N 1.303 121.859 120.400 0.261 0.000 2.183 475 K HA 0.274 4.639 4.320 0.076 0.000 0.274 475 K C -0.241 176.372 176.600 0.022 0.000 1.009 475 K CA -0.280 56.079 56.287 0.119 0.000 0.888 475 K CB 1.365 33.915 32.500 0.084 0.000 1.078 475 K HN 0.629 nan 8.250 nan 0.000 0.459 480 N N 0.333 119.074 118.700 0.068 0.000 2.704 480 N HA 0.329 5.115 4.740 0.076 0.000 0.226 480 N C -0.757 174.831 175.510 0.131 0.000 1.368 480 N CA 0.560 53.668 53.050 0.097 0.000 1.385 480 N CB -0.169 38.352 38.487 0.057 0.000 1.500 480 N HN 0.364 nan 8.380 nan 0.000 0.580 481 S N 0.289 116.106 115.700 0.196 0.000 2.333 481 S HA 0.487 5.003 4.470 0.076 0.000 0.250 481 S C -1.119 173.580 174.600 0.165 0.000 0.959 481 S CA -0.877 57.394 58.200 0.119 0.000 1.037 481 S CB -0.210 63.014 63.200 0.040 0.000 1.215 481 S HN 0.442 nan 8.310 nan 0.000 0.410 482 Y N 0.395 120.657 120.300 -0.063 0.000 2.633 482 Y HA 0.907 5.502 4.550 0.076 0.000 0.339 482 Y C -0.540 175.216 175.900 -0.241 0.000 1.045 482 Y CA -1.630 56.397 58.100 -0.122 0.000 1.098 482 Y CB 1.098 39.492 38.460 -0.109 0.000 1.296 482 Y HN 0.334 nan 8.280 nan 0.000 0.494 483 N N 0.758 119.169 118.700 -0.482 0.000 2.284 483 N HA 0.502 5.288 4.740 0.076 0.000 0.300 483 N C -1.787 173.284 175.510 -0.732 0.000 1.047 483 N CA -0.742 51.870 53.050 -0.729 0.000 0.821 483 N CB 2.603 40.608 38.487 -0.803 0.000 1.337 483 N HN 0.731 nan 8.380 nan 0.000 0.482 484 V N 1.608 121.321 119.914 -0.335 0.000 2.531 484 V HA 0.651 4.816 4.120 0.076 0.000 0.301 484 V C -0.664 175.425 176.094 -0.008 0.000 1.034 484 V CA -0.569 61.668 62.300 -0.105 0.000 0.865 484 V CB 1.323 33.140 31.823 -0.010 0.000 0.995 484 V HN 0.601 nan 8.190 nan 0.000 0.424 485 R N 4.657 125.211 120.500 0.090 0.000 2.923 485 R HA 0.788 5.173 4.340 0.076 0.000 0.252 485 R C -0.886 175.465 176.300 0.086 0.000 1.130 485 R CA -1.000 55.161 56.100 0.102 0.000 1.043 485 R CB 2.232 32.628 30.300 0.160 0.000 1.205 485 R HN 0.725 nan 8.270 nan 0.000 0.495 486 R N -0.211 120.339 120.500 0.083 0.000 2.673 486 R HA 0.478 4.863 4.340 0.076 0.000 0.281 486 R C -1.206 175.156 176.300 0.102 0.000 0.991 486 R CA -0.660 55.491 56.100 0.084 0.000 0.896 486 R CB 2.626 32.962 30.300 0.060 0.000 1.201 486 R HN 0.568 nan 8.270 nan 0.000 0.457 487 T N -0.224 114.417 114.554 0.144 0.000 2.889 487 T HA 0.192 4.588 4.350 0.076 0.000 0.315 487 T C -0.210 174.591 174.700 0.168 0.000 1.291 487 T CA -0.521 61.666 62.100 0.144 0.000 1.028 487 T CB 1.834 70.819 68.868 0.196 0.000 1.235 487 T HN 0.668 nan 8.240 nan 0.000 0.491 488 E N 1.200 121.440 120.200 0.067 0.000 2.447 488 E HA 0.220 4.615 4.350 0.076 0.000 0.195 488 E C 1.237 177.834 176.600 -0.004 0.000 1.028 488 E CA -0.058 56.361 56.400 0.032 0.000 0.876 488 E CB 0.263 29.912 29.700 -0.085 0.000 0.885 488 E HN 0.694 nan 8.360 nan 0.000 0.500 489 G N 0.040 108.817 108.800 -0.038 0.000 2.508 489 G HA2 0.174 4.179 3.960 0.076 0.000 0.278 489 G HA3 0.174 4.179 3.960 0.076 0.000 0.278 489 G C -0.222 174.343 174.900 -0.558 0.000 1.389 489 G CA -0.465 44.524 45.100 -0.184 0.000 1.050 489 G HN 0.099 nan 8.290 nan 0.000 0.522 490 F N 0.467 120.076 119.950 -0.569 0.000 2.805 490 F HA 0.399 4.972 4.527 0.076 0.000 0.317 490 F C 0.710 175.353 175.800 -1.929 0.000 1.146 490 F CA -0.223 56.910 58.000 -1.445 0.000 1.265 490 F CB 0.683 39.132 39.000 -0.919 0.000 0.992 490 F HN 0.436 nan 8.300 nan 0.000 0.511 491 S N 0.151 115.094 115.700 -1.261 0.000 2.548 491 S HA 0.759 5.274 4.470 0.076 0.000 0.278 491 S C -1.113 173.327 174.600 -0.266 0.000 1.150 491 S CA -0.765 56.962 58.200 -0.788 0.000 0.907 491 S CB 1.284 64.232 63.200 -0.419 0.000 1.108 491 S HN 0.248 nan 8.310 nan 0.000 0.459 492 V N -0.893 119.016 119.914 -0.008 0.000 3.049 492 V HA 0.906 5.072 4.120 0.076 0.000 0.309 492 V C -0.693 175.417 176.094 0.027 0.000 1.148 492 V CA -0.737 61.614 62.300 0.087 0.000 0.990 492 V CB 1.624 33.588 31.823 0.235 0.000 1.039 492 V HN 0.950 nan 8.190 nan 0.000 0.430 493 T N 5.434 119.980 114.554 -0.013 0.000 2.809 493 T HA 0.550 4.946 4.350 0.076 0.000 0.296 493 T C -0.472 174.168 174.700 -0.099 0.000 1.015 493 T CA -0.371 61.695 62.100 -0.057 0.000 0.954 493 T CB 0.803 69.638 68.868 -0.055 0.000 0.950 493 T HN 0.558 nan 8.240 nan 0.000 0.450 494 L N 4.214 125.327 121.223 -0.183 0.000 2.477 494 L HA 0.336 4.721 4.340 0.076 0.000 0.272 494 L C 0.586 177.310 176.870 -0.244 0.000 1.157 494 L CA 0.380 55.011 54.840 -0.348 0.000 0.889 494 L CB -0.338 41.331 42.059 -0.651 0.000 1.158 494 L HN 0.590 nan 8.230 nan 0.000 0.473 495 D N 1.755 122.049 120.400 -0.177 0.000 2.384 495 D HA 0.184 4.870 4.640 0.076 0.000 0.250 495 D C 0.124 176.386 176.300 -0.064 0.000 1.029 495 D CA -0.273 53.673 54.000 -0.091 0.000 0.990 495 D CB 1.068 41.843 40.800 -0.042 0.000 1.175 495 D HN 0.437 nan 8.370 nan 0.000 0.532 496 D N 0.186 120.573 120.400 -0.023 0.000 2.705 496 D HA -0.162 4.523 4.640 0.076 0.000 0.240 496 D C -0.859 175.460 176.300 0.031 0.000 1.137 496 D CA 0.569 54.577 54.000 0.012 0.000 0.677 496 D CB -0.909 39.907 40.800 0.026 0.000 1.049 496 D HN 0.251 nan 8.370 nan 0.000 0.427 497 L N -0.536 120.704 121.223 0.029 0.000 2.332 497 L HA 0.787 5.173 4.340 0.076 0.000 0.269 497 L C 1.099 178.067 176.870 0.164 0.000 1.016 497 L CA -1.005 53.898 54.840 0.105 0.000 0.809 497 L CB 1.396 43.474 42.059 0.031 0.000 1.280 497 L HN 0.109 nan 8.230 nan 0.000 0.447 498 A N 1.765 124.739 122.820 0.257 0.000 2.322 498 A HA 0.631 4.996 4.320 0.076 0.000 0.269 498 A C -2.402 175.261 177.584 0.132 0.000 1.094 498 A CA -1.360 50.770 52.037 0.155 0.000 0.807 498 A CB -0.096 18.975 19.000 0.118 0.000 1.047 498 A HN 0.397 nan 8.150 nan 0.000 0.487 499 P HA 0.147 nan 4.420 nan 0.000 0.275 499 P C -0.505 176.819 177.300 0.040 0.000 1.228 499 P CA 0.301 63.437 63.100 0.060 0.000 0.786 499 P CB 0.522 32.246 31.700 0.041 0.000 0.927 500 D N 0.486 120.910 120.400 0.041 0.000 2.904 500 D HA -0.138 4.547 4.640 0.076 0.000 0.231 500 D C -1.103 175.191 176.300 -0.009 0.000 1.185 500 D CA 1.189 55.203 54.000 0.022 0.000 0.783 500 D CB -1.378 39.431 40.800 0.014 0.000 0.961 500 D HN 0.292 nan 8.370 nan 0.000 0.409 501 T N 1.555 116.095 114.554 -0.024 0.000 2.912 501 T HA 0.479 4.874 4.350 0.076 0.000 0.299 501 T C -0.191 174.383 174.700 -0.211 0.000 1.052 501 T CA -0.630 61.372 62.100 -0.162 0.000 0.996 501 T CB 1.772 70.466 68.868 -0.290 0.000 1.070 501 T HN 0.016 nan 8.240 nan 0.000 0.465 502 T N 3.333 117.743 114.554 -0.239 0.000 2.749 502 T HA 0.467 4.862 4.350 0.076 0.000 0.295 502 T C -0.969 173.575 174.700 -0.260 0.000 0.936 502 T CA -0.122 61.889 62.100 -0.148 0.000 1.060 502 T CB -0.069 68.752 68.868 -0.078 0.000 0.904 502 T HN 0.353 nan 8.240 nan 0.000 0.500 503 Y N 1.838 122.180 120.300 0.070 0.000 2.429 503 Y HA 0.497 5.093 4.550 0.076 0.000 0.342 503 Y C 0.112 176.029 175.900 0.028 0.000 1.004 503 Y CA -1.367 56.783 58.100 0.083 0.000 1.075 503 Y CB 1.260 39.801 38.460 0.135 0.000 1.214 503 Y HN 0.430 nan 8.280 nan 0.000 0.455 504 L N 4.329 125.682 121.223 0.217 0.000 2.259 504 L HA 0.474 4.859 4.340 0.076 0.000 0.288 504 L C -0.939 176.000 176.870 0.115 0.000 1.051 504 L CA -0.682 54.211 54.840 0.088 0.000 0.824 504 L CB 0.289 42.376 42.059 0.047 0.000 1.206 504 L HN 0.301 nan 8.230 nan 0.000 0.429 505 V N 3.730 123.669 119.914 0.040 0.000 2.417 505 V HA 0.419 4.585 4.120 0.076 0.000 0.291 505 V C -0.219 175.907 176.094 0.053 0.000 1.024 505 V CA -0.514 61.837 62.300 0.084 0.000 0.861 505 V CB 1.768 33.660 31.823 0.117 0.000 0.985 505 V HN 0.764 nan 8.190 nan 0.000 0.436 506 Q N 3.255 123.086 119.800 0.051 0.000 2.372 506 Q HA 0.726 5.112 4.340 0.076 0.000 0.273 506 Q C -2.019 173.956 176.000 -0.042 0.000 1.078 506 Q CA -0.554 55.260 55.803 0.019 0.000 0.806 506 Q CB 2.619 31.359 28.738 0.003 0.000 1.332 506 Q HN 0.552 nan 8.270 nan 0.000 0.435 507 V N 3.823 123.678 119.914 -0.097 0.000 2.349 507 V HA 0.323 4.489 4.120 0.076 0.000 0.284 507 V C -0.630 175.378 176.094 -0.143 0.000 1.014 507 V CA -0.627 61.532 62.300 -0.234 0.000 0.826 507 V CB 1.396 32.911 31.823 -0.512 0.000 1.009 507 V HN 0.770 nan 8.190 nan 0.000 0.431 508 Q N 3.094 122.838 119.800 -0.094 0.000 2.241 508 Q HA 0.739 5.124 4.340 0.076 0.000 0.254 508 Q C -0.164 175.830 176.000 -0.011 0.000 0.917 508 Q CA -0.633 55.150 55.803 -0.035 0.000 0.919 508 Q CB 1.819 30.540 28.738 -0.028 0.000 1.237 508 Q HN 0.875 nan 8.270 nan 0.000 0.434 509 A N 4.586 127.412 122.820 0.010 0.000 2.279 509 A HA 0.403 4.769 4.320 0.076 0.000 0.306 509 A C -1.060 176.471 177.584 -0.088 0.000 1.300 509 A CA -0.498 51.503 52.037 -0.060 0.000 0.925 509 A CB 0.085 19.101 19.000 0.026 0.000 1.152 509 A HN 0.598 nan 8.150 nan 0.000 0.544 510 L N 2.661 123.805 121.223 -0.132 0.000 2.357 510 L HA 0.644 5.030 4.340 0.076 0.000 0.273 510 L C 1.012 177.872 176.870 -0.016 0.000 1.080 510 L CA 0.561 55.371 54.840 -0.051 0.000 0.803 510 L CB 1.581 43.634 42.059 -0.010 0.000 1.174 510 L HN 0.850 nan 8.230 nan 0.000 0.443 511 T N -1.127 113.424 114.554 -0.005 0.000 2.883 511 T HA 0.587 4.982 4.350 0.076 0.000 0.296 511 T C -0.291 174.360 174.700 -0.082 0.000 1.117 511 T CA -1.044 61.056 62.100 0.001 0.000 1.006 511 T CB 1.691 70.556 68.868 -0.005 0.000 1.191 511 T HN 0.355 nan 8.240 nan 0.000 0.508 517 A N 0.062 122.890 122.820 0.014 0.000 2.303 517 A HA 0.823 5.188 4.320 0.076 0.000 0.320 517 A C 0.219 177.820 177.584 0.027 0.000 1.192 517 A CA 0.365 52.418 52.037 0.026 0.000 0.821 517 A CB 1.092 20.120 19.000 0.047 0.000 1.188 517 A HN 1.768 nan 8.150 nan 0.000 0.492 518 G N 1.089 109.900 108.800 0.017 0.000 2.417 518 G HA2 0.531 4.537 3.960 0.076 0.000 0.334 518 G HA3 0.531 4.537 3.960 0.076 0.000 0.334 518 G C 0.335 175.252 174.900 0.028 0.000 1.150 518 G CA 0.250 45.357 45.100 0.011 0.000 0.923 518 G HN 1.263 nan 8.290 nan 0.000 0.485 519 S N -0.330 115.390 115.700 0.034 0.000 2.641 519 S HA 0.700 5.215 4.470 0.076 0.000 0.261 519 S C 0.756 175.402 174.600 0.077 0.000 1.257 519 S CA 0.270 58.515 58.200 0.076 0.000 0.983 519 S CB 0.523 63.782 63.200 0.099 0.000 0.990 519 S HN 1.113 nan 8.310 nan 0.000 0.572 520 K N -0.044 120.424 120.400 0.113 0.000 2.138 520 K HA 0.572 4.937 4.320 0.076 0.000 0.251 520 K C -0.159 176.478 176.600 0.062 0.000 1.015 520 K CA -0.441 55.865 56.287 0.033 0.000 0.917 520 K CB -0.108 32.361 32.500 -0.052 0.000 1.021 520 K HN 0.687 nan 8.250 nan 0.000 0.485 521 V N 3.074 122.965 119.914 -0.039 0.000 2.508 521 V HA 0.202 4.367 4.120 0.076 0.000 0.281 521 V C -0.426 175.571 176.094 -0.162 0.000 1.041 521 V CA -0.271 62.007 62.300 -0.036 0.000 1.016 521 V CB -0.077 31.709 31.823 -0.063 0.000 0.984 521 V HN 0.874 nan 8.190 nan 0.000 0.478 522 H N 2.440 121.367 119.070 -0.239 0.000 2.499 522 H HA 0.510 5.112 4.556 0.076 0.000 0.340 522 H C -0.273 174.712 175.328 -0.570 0.000 1.148 522 H CA -0.669 55.101 56.048 -0.463 0.000 1.215 522 H CB 1.268 30.571 29.762 -0.764 0.000 1.529 522 H HN 0.621 nan 8.280 nan 0.000 0.510 523 E N 2.790 122.750 120.200 -0.400 0.000 2.102 523 E HA 0.245 4.640 4.350 0.076 0.000 0.263 523 E C -0.913 175.611 176.600 -0.127 0.000 0.894 523 E CA -0.310 55.956 56.400 -0.224 0.000 0.746 523 E CB 0.940 30.590 29.700 -0.083 0.000 1.129 523 E HN 0.407 nan 8.360 nan 0.000 0.416 524 F N 1.607 121.650 119.950 0.156 0.000 2.436 524 F HA 0.433 5.005 4.527 0.076 0.000 0.340 524 F C 0.898 176.787 175.800 0.149 0.000 1.113 524 F CA -0.900 57.184 58.000 0.139 0.000 1.022 524 F CB 1.559 40.637 39.000 0.130 0.000 1.128 524 F HN 0.344 nan 8.300 nan 0.000 0.466 525 Q N 1.356 121.338 119.800 0.303 0.000 2.274 525 Q HA 0.598 4.984 4.340 0.076 0.000 0.260 525 Q C -0.105 175.993 176.000 0.164 0.000 0.974 525 Q CA -1.012 54.903 55.803 0.186 0.000 0.876 525 Q CB 1.338 30.144 28.738 0.113 0.000 1.297 525 Q HN 0.730 nan 8.270 nan 0.000 0.446 526 T N -0.569 114.078 114.554 0.155 0.000 2.788 526 T HA 0.667 5.062 4.350 0.076 0.000 0.280 526 T C 0.555 175.299 174.700 0.073 0.000 0.984 526 T CA -0.615 61.559 62.100 0.122 0.000 0.972 526 T CB 0.477 69.437 68.868 0.153 0.000 1.039 526 T HN 0.505 nan 8.240 nan 0.000 0.530 527 L N 0.587 121.842 121.223 0.053 0.000 2.464 527 L HA 0.477 4.862 4.340 0.076 0.000 0.224 527 L C 0.851 177.740 176.870 0.033 0.000 1.219 527 L CA 0.499 55.360 54.840 0.035 0.000 0.831 527 L CB 0.482 42.556 42.059 0.024 0.000 1.284 527 L HN 0.966 nan 8.230 nan 0.000 0.522 528 S N 0.000 115.714 115.700 0.024 0.000 2.498 528 S HA 0.000 4.515 4.470 0.076 0.000 0.327 528 S CA 0.000 58.212 58.200 0.020 0.000 1.107 528 S CB 0.000 63.211 63.200 0.018 0.000 0.593 528 S HN 0.000 nan 8.310 nan 0.000 0.517