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 2hdr_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.509 177.584 -0.125 0.000 1.274 4 A CA 0.000 52.013 52.037 -0.040 0.000 0.836 4 A CB 0.000 18.934 19.000 -0.109 0.000 0.831 5 P HA 0.063 nan 4.420 nan 0.000 0.264 5 P C 0.808 178.014 177.300 -0.157 0.000 1.183 5 P CA -0.032 62.961 63.100 -0.179 0.000 0.763 5 P CB 0.633 32.187 31.700 -0.243 0.000 0.807 6 Q N 2.912 122.658 119.800 -0.090 0.000 2.181 6 Q HA -0.268 4.072 4.340 -0.000 0.000 0.205 6 Q C 1.706 177.659 176.000 -0.079 0.000 0.980 6 Q CA 2.000 57.766 55.803 -0.061 0.000 0.862 6 Q CB 0.062 28.777 28.738 -0.038 0.000 0.905 6 Q HN 0.665 nan 8.270 nan 0.000 0.429 7 Q N -0.519 119.209 119.800 -0.119 0.000 2.135 7 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 7 Q C 2.015 177.913 176.000 -0.171 0.000 0.981 7 Q CA 1.660 57.381 55.803 -0.137 0.000 0.856 7 Q CB -0.411 28.229 28.738 -0.165 0.000 0.902 7 Q HN 0.446 nan 8.270 nan 0.000 0.425 8 I N 1.225 121.654 120.570 -0.235 0.000 2.233 8 I HA -0.187 3.983 4.170 -0.000 0.000 0.243 8 I C 1.767 177.833 176.117 -0.084 0.000 1.093 8 I CA 0.736 61.909 61.300 -0.211 0.000 1.380 8 I CB -0.518 37.303 38.000 -0.299 0.000 1.067 8 I HN 0.235 nan 8.210 nan 0.000 0.413 9 N N 1.284 119.992 118.700 0.014 0.000 2.104 9 N HA -0.204 4.536 4.740 -0.000 0.000 0.190 9 N C 1.417 176.954 175.510 0.045 0.000 1.024 9 N CA 1.667 54.780 53.050 0.106 0.000 0.853 9 N CB -0.476 38.071 38.487 0.099 0.000 1.008 9 N HN 0.349 nan 8.380 nan 0.000 0.424 10 D N 0.218 120.622 120.400 0.007 0.000 2.084 10 D HA -0.053 4.587 4.640 -0.000 0.000 0.196 10 D C 1.903 178.218 176.300 0.025 0.000 0.985 10 D CA 0.377 54.395 54.000 0.030 0.000 0.826 10 D CB -0.230 40.572 40.800 0.002 0.000 0.978 10 D HN 0.099 nan 8.370 nan 0.000 0.456 11 I N 0.123 120.673 120.570 -0.033 0.000 2.315 11 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 11 I C 1.946 178.026 176.117 -0.061 0.000 1.117 11 I CA 0.927 62.200 61.300 -0.045 0.000 1.404 11 I CB -0.170 37.789 38.000 -0.069 0.000 1.071 11 I HN -0.125 nan 8.210 nan 0.000 0.419 12 V N 0.142 119.979 119.914 -0.130 0.000 2.295 12 V HA -0.330 3.790 4.120 -0.000 0.000 0.246 12 V C 2.527 178.608 176.094 -0.022 0.000 1.049 12 V CA 2.358 64.536 62.300 -0.202 0.000 1.024 12 V CB -1.029 30.375 31.823 -0.698 0.000 0.648 12 V HN 0.569 nan 8.190 nan 0.000 0.447 13 H N 0.591 119.654 119.070 -0.012 0.000 2.326 13 H HA -0.069 4.487 4.556 -0.000 0.000 0.301 13 H C 2.397 177.750 175.328 0.041 0.000 1.081 13 H CA 1.805 57.917 56.048 0.107 0.000 1.334 13 H CB -0.029 29.802 29.762 0.115 0.000 1.385 13 H HN 0.240 nan 8.280 nan 0.000 0.504 14 R N -0.902 119.600 120.500 0.004 0.000 2.280 14 R HA -0.014 4.326 4.340 -0.000 0.000 0.207 14 R C 1.376 177.623 176.300 -0.088 0.000 1.043 14 R CA 1.396 57.463 56.100 -0.055 0.000 1.006 14 R CB 0.253 30.563 30.300 0.016 0.000 0.885 14 R HN 0.372 nan 8.270 nan 0.000 0.467 15 T N 0.335 114.835 114.554 -0.091 0.000 3.044 15 T HA 0.117 4.467 4.350 -0.000 0.000 0.237 15 T C 1.715 176.319 174.700 -0.160 0.000 1.001 15 T CA 0.217 62.264 62.100 -0.087 0.000 1.160 15 T CB 0.233 69.076 68.868 -0.041 0.000 0.889 15 T HN -0.040 nan 8.240 nan 0.000 0.442 16 I N 2.153 122.586 120.570 -0.228 0.000 2.406 16 I HA -0.041 4.129 4.170 -0.000 0.000 0.249 16 I C 2.551 178.326 176.117 -0.570 0.000 1.122 16 I CA 1.285 62.334 61.300 -0.418 0.000 1.431 16 I CB -1.802 35.834 38.000 -0.607 0.000 1.087 16 I HN 0.242 nan 8.210 nan 0.000 0.424 17 T N 2.296 116.554 114.554 -0.494 0.000 2.684 17 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 17 T C -0.275 174.229 174.700 -0.327 0.000 1.036 17 T CA 1.636 63.465 62.100 -0.452 0.000 1.148 17 T CB -1.353 67.271 68.868 -0.407 0.000 0.863 17 T HN 0.237 nan 8.240 nan 0.000 0.436 18 P HA 0.018 nan 4.420 nan 0.000 0.217 18 P C 1.673 178.860 177.300 -0.187 0.000 1.151 18 P CA 0.435 63.427 63.100 -0.181 0.000 0.828 18 P CB -0.196 31.422 31.700 -0.136 0.000 0.788 19 L N -0.429 120.661 121.223 -0.221 0.000 2.013 19 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 19 L C 2.176 178.863 176.870 -0.305 0.000 1.073 19 L CA 1.881 56.579 54.840 -0.236 0.000 0.753 19 L CB -1.217 40.699 42.059 -0.239 0.000 0.890 19 L HN -0.138 nan 8.230 nan 0.000 0.432 20 I N -0.618 119.737 120.570 -0.359 0.000 2.286 20 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 20 I C 2.395 178.382 176.117 -0.217 0.000 1.115 20 I CA 1.001 62.100 61.300 -0.335 0.000 1.392 20 I CB -0.402 37.360 38.000 -0.396 0.000 1.065 20 I HN 0.337 nan 8.210 nan 0.000 0.418 21 E N 0.578 120.669 120.200 -0.181 0.000 2.046 21 E HA -0.209 4.141 4.350 -0.000 0.000 0.190 21 E C 2.166 178.705 176.600 -0.101 0.000 0.982 21 E CA 1.140 57.471 56.400 -0.116 0.000 0.800 21 E CB -0.306 29.338 29.700 -0.093 0.000 0.756 21 E HN 0.586 nan 8.360 nan 0.000 0.449 22 Q N 0.151 119.884 119.800 -0.111 0.000 2.224 22 Q HA -0.093 4.247 4.340 -0.000 0.000 0.203 22 Q C 1.739 177.690 176.000 -0.082 0.000 0.970 22 Q CA 0.882 56.635 55.803 -0.084 0.000 0.865 22 Q CB 0.170 28.861 28.738 -0.078 0.000 0.922 22 Q HN 0.137 nan 8.270 nan 0.000 0.445 23 Q N -0.043 119.679 119.800 -0.130 0.000 2.282 23 Q HA 0.096 4.436 4.340 -0.000 0.000 0.206 23 Q C -0.340 175.603 176.000 -0.095 0.000 0.878 23 Q CA 0.144 55.875 55.803 -0.121 0.000 0.944 23 Q CB 0.761 29.341 28.738 -0.263 0.000 1.100 23 Q HN 0.260 nan 8.270 nan 0.000 0.509 24 K N 0.777 121.119 120.400 -0.095 0.000 3.096 24 K HA -0.180 4.140 4.320 -0.000 0.000 0.266 24 K C -0.470 176.091 176.600 -0.064 0.000 1.043 24 K CA 0.264 56.511 56.287 -0.067 0.000 0.758 24 K CB -1.974 30.503 32.500 -0.038 0.000 1.260 24 K HN 0.258 nan 8.250 nan 0.000 0.481 25 I N 1.205 121.712 120.570 -0.104 0.000 2.436 25 I HA 0.000 4.170 4.170 -0.000 0.000 0.289 25 I C -0.934 175.175 176.117 -0.014 0.000 1.083 25 I CA -1.955 59.306 61.300 -0.066 0.000 1.372 25 I CB 0.745 38.650 38.000 -0.160 0.000 1.408 25 I HN 0.012 nan 8.210 nan 0.000 0.516 26 P HA -0.015 nan 4.420 nan 0.000 0.216 26 P C 0.390 177.760 177.300 0.116 0.000 1.153 26 P CA 0.556 63.666 63.100 0.017 0.000 0.848 26 P CB 0.295 31.933 31.700 -0.103 0.000 0.787 27 G N -1.338 107.590 108.800 0.214 0.000 2.706 27 G HA2 0.678 4.638 3.960 -0.000 0.000 0.297 27 G HA3 0.678 4.638 3.960 -0.000 0.000 0.297 27 G C -1.920 173.242 174.900 0.437 0.000 1.403 27 G CA -0.374 44.919 45.100 0.322 0.000 0.954 27 G HN 0.036 nan 8.290 nan 0.000 0.500 28 M N 1.195 121.095 119.600 0.500 0.000 2.413 28 M HA 0.711 5.190 4.480 -0.000 0.000 0.287 28 M C -1.349 175.299 176.300 0.579 0.000 1.186 28 M CA -0.539 55.047 55.300 0.476 0.000 0.927 28 M CB 2.303 35.059 32.600 0.260 0.000 1.715 28 M HN 0.971 nan 8.290 nan 0.000 0.478 29 A N 3.468 126.488 122.820 0.333 0.000 2.371 29 A HA 0.869 5.189 4.320 -0.000 0.000 0.311 29 A C -1.691 176.097 177.584 0.341 0.000 1.068 29 A CA -0.615 51.632 52.037 0.351 0.000 0.744 29 A CB 1.657 20.793 19.000 0.226 0.000 1.239 29 A HN 0.611 nan 8.150 nan 0.000 0.435 30 V N 1.024 121.259 119.914 0.534 0.000 2.656 30 V HA 0.781 4.901 4.120 -0.000 0.000 0.307 30 V C 0.095 176.517 176.094 0.547 0.000 1.051 30 V CA -0.268 62.338 62.300 0.510 0.000 0.893 30 V CB 1.832 34.001 31.823 0.576 0.000 0.999 30 V HN 1.365 nan 8.190 nan 0.000 0.426 31 A N 4.131 127.190 122.820 0.398 0.000 2.319 31 A HA 0.837 5.157 4.320 -0.000 0.000 0.310 31 A C -0.974 176.753 177.584 0.237 0.000 1.152 31 A CA -0.516 51.685 52.037 0.273 0.000 0.783 31 A CB 1.518 20.647 19.000 0.214 0.000 1.184 31 A HN 0.662 nan 8.150 nan 0.000 0.474 32 V N 3.938 124.021 119.914 0.283 0.000 2.370 32 V HA 0.305 4.425 4.120 -0.000 0.000 0.283 32 V C -0.558 175.663 176.094 0.212 0.000 1.023 32 V CA -0.238 62.213 62.300 0.252 0.000 0.857 32 V CB 1.040 33.041 31.823 0.297 0.000 0.985 32 V HN 0.714 nan 8.190 nan 0.000 0.443 33 I N 6.116 126.765 120.570 0.132 0.000 2.312 33 I HA 0.334 4.504 4.170 -0.000 0.000 0.291 33 I C -0.607 175.626 176.117 0.193 0.000 1.031 33 I CA -0.106 61.248 61.300 0.090 0.000 1.293 33 I CB 0.507 38.494 38.000 -0.023 0.000 1.403 33 I HN 0.586 nan 8.210 nan 0.000 0.484 34 Y N 5.465 125.843 120.300 0.130 0.000 2.329 34 Y HA 0.326 4.876 4.550 0.000 0.000 0.328 34 Y C 0.133 176.095 175.900 0.104 0.000 0.992 34 Y CA -0.983 57.191 58.100 0.123 0.000 1.151 34 Y CB 1.081 39.639 38.460 0.163 0.000 1.150 34 Y HN 0.679 nan 8.280 nan 0.000 0.450 35 Q N 4.382 123.925 119.800 -0.428 0.000 2.434 35 Q HA -0.233 4.107 4.340 -0.000 0.000 0.299 35 Q C 0.918 176.828 176.000 -0.150 0.000 1.286 35 Q CA 1.194 56.794 55.803 -0.338 0.000 0.872 35 Q CB -1.526 26.950 28.738 -0.436 0.000 1.193 35 Q HN 1.375 nan 8.270 nan 0.000 0.466 36 G N 0.271 109.002 108.800 -0.115 0.000 2.246 36 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.273 36 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.273 36 G C -0.208 174.639 174.900 -0.089 0.000 1.055 36 G CA 0.838 45.879 45.100 -0.100 0.000 0.851 36 G HN 0.371 nan 8.290 nan 0.000 0.500 37 K N 0.292 120.645 120.400 -0.079 0.000 2.513 37 K HA 0.572 4.892 4.320 -0.000 0.000 0.251 37 K C -2.868 173.523 176.600 -0.348 0.000 0.939 37 K CA -2.176 53.990 56.287 -0.201 0.000 0.793 37 K CB 2.995 35.375 32.500 -0.200 0.000 1.241 37 K HN 0.007 nan 8.250 nan 0.000 0.431 38 P HA 0.212 nan 4.420 nan 0.000 0.284 38 P C -1.488 175.222 177.300 -0.983 0.000 1.253 38 P CA -0.259 62.500 63.100 -0.568 0.000 0.800 38 P CB 0.550 31.958 31.700 -0.488 0.000 0.961 39 Y N 1.340 121.344 120.300 -0.494 0.000 2.361 39 Y HA 0.423 4.973 4.550 -0.000 0.000 0.337 39 Y C -0.136 175.376 175.900 -0.647 0.000 0.965 39 Y CA -0.564 57.256 58.100 -0.466 0.000 1.091 39 Y CB 1.732 40.115 38.460 -0.127 0.000 1.182 39 Y HN 0.279 nan 8.280 nan 0.000 0.450 40 Y N 2.919 122.995 120.300 -0.374 0.000 2.409 40 Y HA 0.667 5.216 4.550 -0.000 0.000 0.339 40 Y C -0.986 174.468 175.900 -0.744 0.000 1.033 40 Y CA -1.537 56.371 58.100 -0.320 0.000 1.094 40 Y CB 1.222 39.593 38.460 -0.148 0.000 1.210 40 Y HN 0.379 nan 8.280 nan 0.000 0.456 41 F N 0.406 120.455 119.950 0.166 0.000 2.561 41 F HA 0.627 5.154 4.527 -0.000 0.000 0.313 41 F C -0.329 175.306 175.800 -0.275 0.000 1.126 41 F CA -1.022 56.882 58.000 -0.160 0.000 0.918 41 F CB 2.294 41.221 39.000 -0.122 0.000 1.199 41 F HN 0.378 nan 8.300 nan 0.000 0.444 42 T N -1.169 113.133 114.554 -0.420 0.000 2.893 42 T HA 0.658 5.008 4.350 -0.000 0.000 0.293 42 T C -1.501 172.959 174.700 -0.400 0.000 1.027 42 T CA -0.730 61.271 62.100 -0.165 0.000 0.988 42 T CB 1.764 70.635 68.868 0.006 0.000 1.043 42 T HN 0.591 nan 8.240 nan 0.000 0.461 43 W N 0.774 122.167 121.300 0.154 0.000 3.138 43 W HA 0.503 5.163 4.660 -0.000 0.000 0.331 43 W C 0.844 177.385 176.519 0.038 0.000 1.166 43 W CA -0.187 57.207 57.345 0.082 0.000 1.212 43 W CB 1.779 31.283 29.460 0.074 0.000 1.399 43 W HN 1.393 nan 8.180 nan 0.000 0.514 44 G N 1.797 110.662 108.800 0.107 0.000 2.552 44 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.265 44 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.265 44 G C -1.425 173.375 174.900 -0.166 0.000 1.234 44 G CA -0.084 44.920 45.100 -0.161 0.000 0.944 44 G HN 0.550 nan 8.290 nan 0.000 0.568 45 Y N 0.070 120.466 120.300 0.159 0.000 2.393 45 Y HA 0.575 5.125 4.550 -0.000 0.000 0.341 45 Y C 1.304 177.319 175.900 0.192 0.000 0.988 45 Y CA -0.374 57.814 58.100 0.147 0.000 1.078 45 Y CB 2.050 40.567 38.460 0.095 0.000 1.203 45 Y HN 0.786 nan 8.280 nan 0.000 0.453 46 A N 0.849 123.885 122.820 0.358 0.000 2.016 46 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 46 A C 0.186 177.985 177.584 0.358 0.000 1.162 46 A CA 1.231 53.428 52.037 0.265 0.000 0.662 46 A CB 0.049 19.133 19.000 0.140 0.000 0.812 46 A HN 0.668 nan 8.150 nan 0.000 0.450 47 D N -1.098 119.511 120.400 0.348 0.000 2.479 47 D HA 0.396 5.036 4.640 -0.000 0.000 0.246 47 D C 0.635 177.017 176.300 0.137 0.000 1.336 47 D CA -0.447 53.765 54.000 0.354 0.000 0.967 47 D CB 0.791 41.773 40.800 0.305 0.000 1.275 47 D HN 0.116 nan 8.370 nan 0.000 0.577 48 I N 2.111 122.766 120.570 0.141 0.000 2.179 48 I HA -0.211 3.958 4.170 -0.000 0.000 0.242 48 I C 2.398 178.380 176.117 -0.225 0.000 1.088 48 I CA 1.151 62.364 61.300 -0.147 0.000 1.357 48 I CB -0.046 37.819 38.000 -0.226 0.000 1.051 48 I HN 0.434 nan 8.210 nan 0.000 0.409 49 A N 0.517 123.279 122.820 -0.096 0.000 1.877 49 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 49 A C 2.311 179.825 177.584 -0.118 0.000 1.186 49 A CA 1.715 53.687 52.037 -0.107 0.000 0.620 49 A CB -0.459 18.487 19.000 -0.090 0.000 0.822 49 A HN 0.324 nan 8.150 nan 0.000 0.443 50 K N -0.475 119.874 120.400 -0.085 0.000 2.487 50 K HA 0.030 4.350 4.320 -0.000 0.000 0.192 50 K C -0.286 176.228 176.600 -0.143 0.000 1.027 50 K CA 0.252 56.498 56.287 -0.070 0.000 1.054 50 K CB -0.130 32.374 32.500 0.007 0.000 0.824 50 K HN 0.371 nan 8.250 nan 0.000 0.510 51 K N 1.369 121.563 120.400 -0.343 0.000 3.071 51 K HA -0.238 4.082 4.320 -0.000 0.000 0.262 51 K C -0.521 175.949 176.600 -0.216 0.000 0.977 51 K CA 0.529 56.413 56.287 -0.671 0.000 0.721 51 K CB -1.198 31.038 32.500 -0.440 0.000 1.293 51 K HN 0.421 nan 8.250 nan 0.000 0.475 52 Q N 1.195 120.969 119.800 -0.042 0.000 2.295 52 Q HA 0.175 4.515 4.340 -0.000 0.000 0.259 52 Q C -2.212 173.974 176.000 0.310 0.000 0.976 52 Q CA -2.022 53.861 55.803 0.133 0.000 0.923 52 Q CB 0.991 29.802 28.738 0.120 0.000 1.185 52 Q HN 0.010 nan 8.270 nan 0.000 0.410 53 P HA 0.035 nan 4.420 nan 0.000 0.277 53 P C -0.599 176.829 177.300 0.214 0.000 1.240 53 P CA -0.309 62.965 63.100 0.290 0.000 0.798 53 P CB 0.975 32.787 31.700 0.186 0.000 0.979 54 V N 2.702 122.748 119.914 0.220 0.000 2.585 54 V HA 0.188 4.307 4.120 -0.000 0.000 0.296 54 V C 1.277 177.478 176.094 0.178 0.000 1.035 54 V CA 0.863 63.306 62.300 0.239 0.000 1.084 54 V CB 0.072 32.115 31.823 0.367 0.000 0.953 54 V HN 0.886 nan 8.190 nan 0.000 0.483 55 T N 1.506 116.154 114.554 0.157 0.000 2.742 55 T HA 0.357 4.707 4.350 -0.000 0.000 0.282 55 T C 0.502 175.251 174.700 0.082 0.000 1.025 55 T CA -0.695 61.456 62.100 0.086 0.000 1.020 55 T CB 1.595 70.487 68.868 0.040 0.000 1.317 55 T HN 0.393 nan 8.240 nan 0.000 0.538 56 Q N -0.387 119.402 119.800 -0.018 0.000 2.436 56 Q HA 0.020 4.360 4.340 -0.000 0.000 0.209 56 Q C 1.969 177.926 176.000 -0.072 0.000 0.965 56 Q CA 1.077 56.820 55.803 -0.100 0.000 0.910 56 Q CB -0.056 28.536 28.738 -0.244 0.000 0.980 56 Q HN 0.611 nan 8.270 nan 0.000 0.491 57 Q N -0.426 119.342 119.800 -0.055 0.000 2.356 57 Q HA 0.069 4.409 4.340 -0.000 0.000 0.205 57 Q C -0.115 175.866 176.000 -0.033 0.000 0.901 57 Q CA 0.092 55.833 55.803 -0.103 0.000 0.938 57 Q CB 0.796 29.451 28.738 -0.138 0.000 1.081 57 Q HN 0.166 nan 8.270 nan 0.000 0.517 58 T N 1.906 116.492 114.554 0.054 0.000 2.867 58 T HA 0.122 4.472 4.350 -0.000 0.000 0.297 58 T C 0.045 174.790 174.700 0.074 0.000 0.989 58 T CA 0.274 62.402 62.100 0.046 0.000 1.159 58 T CB 0.370 69.273 68.868 0.059 0.000 0.928 58 T HN 0.131 nan 8.240 nan 0.000 0.538 59 L N 4.225 125.432 121.223 -0.027 0.000 2.276 59 L HA 0.473 4.813 4.340 -0.000 0.000 0.286 59 L C -0.408 176.402 176.870 -0.100 0.000 1.061 59 L CA -0.521 54.301 54.840 -0.031 0.000 0.807 59 L CB 0.342 42.295 42.059 -0.177 0.000 1.177 59 L HN 0.542 nan 8.230 nan 0.000 0.429 60 F N 0.921 120.861 119.950 -0.017 0.000 2.507 60 F HA 0.353 4.880 4.527 -0.000 0.000 0.327 60 F C 0.514 176.070 175.800 -0.407 0.000 1.068 60 F CA -0.830 57.116 58.000 -0.089 0.000 0.965 60 F CB 1.354 40.455 39.000 0.168 0.000 1.192 60 F HN 0.381 nan 8.300 nan 0.000 0.476 61 E N 2.454 122.187 120.200 -0.778 0.000 2.223 61 E HA 0.183 4.532 4.350 -0.000 0.000 0.282 61 E C 0.474 177.026 176.600 -0.080 0.000 1.046 61 E CA -0.067 56.046 56.400 -0.478 0.000 0.857 61 E CB 0.876 30.204 29.700 -0.619 0.000 1.055 61 E HN 0.610 nan 8.360 nan 0.000 0.409 62 L N 2.863 124.096 121.223 0.016 0.000 2.313 62 L HA 0.041 4.381 4.340 -0.000 0.000 0.214 62 L C 1.466 178.434 176.870 0.163 0.000 1.119 62 L CA 0.591 55.502 54.840 0.117 0.000 0.809 62 L CB -0.785 41.340 42.059 0.111 0.000 0.933 62 L HN 0.909 nan 8.230 nan 0.000 0.449 63 G N 0.319 109.219 108.800 0.166 0.000 2.583 63 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.292 63 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.292 63 G C 0.837 175.880 174.900 0.239 0.000 1.203 63 G CA 0.388 45.621 45.100 0.221 0.000 0.987 63 G HN 0.201 nan 8.290 nan 0.000 0.554 64 S N -0.014 115.827 115.700 0.235 0.000 2.507 64 S HA 0.077 4.547 4.470 -0.000 0.000 0.235 64 S C 2.356 177.076 174.600 0.201 0.000 0.988 64 S CA 1.238 59.590 58.200 0.252 0.000 0.944 64 S CB -0.042 63.346 63.200 0.313 0.000 0.762 64 S HN 0.723 nan 8.310 nan 0.000 0.526 65 V N 1.764 121.780 119.914 0.170 0.000 2.720 65 V HA -0.140 3.980 4.120 -0.000 0.000 0.256 65 V C 2.124 178.307 176.094 0.147 0.000 1.082 65 V CA 1.428 63.799 62.300 0.118 0.000 1.101 65 V CB -0.863 31.050 31.823 0.149 0.000 0.693 65 V HN 0.457 nan 8.190 nan 0.000 0.479 66 S N -0.025 115.799 115.700 0.207 0.000 2.402 66 S HA -0.265 4.205 4.470 -0.000 0.000 0.233 66 S C 1.897 176.640 174.600 0.237 0.000 1.030 66 S CA 1.448 59.804 58.200 0.260 0.000 1.003 66 S CB -0.300 62.996 63.200 0.160 0.000 0.813 66 S HN 0.659 nan 8.310 nan 0.000 0.477 67 K N 0.905 121.400 120.400 0.159 0.000 2.209 67 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 67 K C 2.473 179.092 176.600 0.033 0.000 1.048 67 K CA 1.557 57.924 56.287 0.133 0.000 0.940 67 K CB -0.506 32.100 32.500 0.176 0.000 0.729 67 K HN 0.640 nan 8.250 nan 0.000 0.451 68 T N -1.047 113.415 114.554 -0.153 0.000 2.821 68 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 68 T C 1.744 176.414 174.700 -0.050 0.000 1.046 68 T CA 0.837 62.668 62.100 -0.448 0.000 1.139 68 T CB -0.377 67.808 68.868 -1.139 0.000 0.871 68 T HN 0.024 nan 8.240 nan 0.000 0.454 69 F N 2.123 122.083 119.950 0.017 0.000 2.186 69 F HA 0.061 4.588 4.527 -0.000 0.000 0.299 69 F C 2.959 178.796 175.800 0.061 0.000 1.090 69 F CA 1.211 59.181 58.000 -0.051 0.000 1.307 69 F CB -1.061 37.794 39.000 -0.242 0.000 1.019 69 F HN 0.148 nan 8.300 nan 0.000 0.489 70 T N -0.666 114.070 114.554 0.303 0.000 2.737 70 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 70 T C 2.396 177.286 174.700 0.317 0.000 1.038 70 T CA 1.438 63.740 62.100 0.337 0.000 1.144 70 T CB -1.008 68.059 68.868 0.332 0.000 0.866 70 T HN 0.422 nan 8.240 nan 0.000 0.434 71 G N 0.937 109.895 108.800 0.264 0.000 2.422 71 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 71 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 71 G C 1.689 176.753 174.900 0.273 0.000 1.146 71 G CA 0.769 46.028 45.100 0.264 0.000 0.769 71 G HN 0.432 nan 8.290 nan 0.000 0.547 72 V N 0.584 120.664 119.914 0.278 0.000 2.358 72 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 72 V C 2.658 178.870 176.094 0.196 0.000 1.047 72 V CA 1.467 63.937 62.300 0.284 0.000 1.035 72 V CB -0.390 31.695 31.823 0.436 0.000 0.658 72 V HN 0.340 nan 8.190 nan 0.000 0.452 73 L N 1.377 122.688 121.223 0.147 0.000 2.042 73 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 73 L C 2.338 179.220 176.870 0.019 0.000 1.076 73 L CA 2.458 57.306 54.840 0.013 0.000 0.749 73 L CB -1.272 40.714 42.059 -0.121 0.000 0.893 73 L HN 0.280 nan 8.230 nan 0.000 0.432 74 G N -1.222 107.643 108.800 0.108 0.000 2.421 74 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 74 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 74 G C 1.537 176.536 174.900 0.165 0.000 1.171 74 G CA 0.578 45.754 45.100 0.126 0.000 0.775 74 G HN 0.589 nan 8.290 nan 0.000 0.543 75 G N 0.552 109.470 108.800 0.196 0.000 2.442 75 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 75 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 75 G C 1.448 176.407 174.900 0.099 0.000 1.141 75 G CA 1.420 46.614 45.100 0.157 0.000 0.763 75 G HN 0.520 nan 8.290 nan 0.000 0.554 76 D N 0.524 120.969 120.400 0.076 0.000 2.117 76 D HA 0.049 4.689 4.640 -0.000 0.000 0.198 76 D C 2.661 178.967 176.300 0.010 0.000 0.982 76 D CA 1.403 55.425 54.000 0.036 0.000 0.828 76 D CB -0.277 40.535 40.800 0.020 0.000 0.967 76 D HN 0.231 nan 8.370 nan 0.000 0.464 77 A N -0.019 122.794 122.820 -0.011 0.000 1.972 77 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 77 A C 2.300 179.882 177.584 -0.003 0.000 1.169 77 A CA 1.014 53.031 52.037 -0.034 0.000 0.635 77 A CB -0.745 18.199 19.000 -0.092 0.000 0.810 77 A HN 0.395 nan 8.150 nan 0.000 0.446 78 I N -0.259 120.329 120.570 0.029 0.000 2.226 78 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 78 I C 2.858 179.001 176.117 0.043 0.000 1.100 78 I CA 1.143 62.473 61.300 0.050 0.000 1.374 78 I CB -0.256 37.794 38.000 0.084 0.000 1.057 78 I HN 0.326 nan 8.210 nan 0.000 0.413 79 A N 0.575 123.419 122.820 0.040 0.000 2.066 79 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 79 A C 2.279 179.874 177.584 0.019 0.000 1.157 79 A CA 1.018 53.074 52.037 0.031 0.000 0.670 79 A CB -0.460 18.559 19.000 0.031 0.000 0.804 79 A HN 0.325 nan 8.150 nan 0.000 0.453 80 R N -1.237 119.271 120.500 0.013 0.000 2.307 80 R HA 0.142 4.482 4.340 -0.000 0.000 0.199 80 R C 1.275 177.583 176.300 0.012 0.000 1.000 80 R CA 0.529 56.633 56.100 0.006 0.000 1.023 80 R CB -0.154 30.142 30.300 -0.006 0.000 0.908 80 R HN 0.652 nan 8.270 nan 0.000 0.473 81 G N 1.120 109.933 108.800 0.022 0.000 2.147 81 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 81 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 81 G C 0.474 175.396 174.900 0.037 0.000 1.005 81 G CA 0.553 45.671 45.100 0.030 0.000 0.713 81 G HN 0.448 nan 8.290 nan 0.000 0.515 82 E N -0.694 119.523 120.200 0.030 0.000 2.140 82 E HA 0.250 4.600 4.350 -0.000 0.000 0.191 82 E C 1.565 178.211 176.600 0.077 0.000 0.973 82 E CA 1.101 57.524 56.400 0.039 0.000 0.829 82 E CB 0.224 29.924 29.700 0.000 0.000 0.781 82 E HN 0.888 nan 8.360 nan 0.000 0.466 83 I N -2.187 118.409 120.570 0.043 0.000 3.042 83 I HA 0.506 4.676 4.170 -0.000 0.000 0.310 83 I C -1.218 174.951 176.117 0.086 0.000 1.117 83 I CA -1.239 60.098 61.300 0.061 0.000 1.003 83 I CB 2.230 40.140 38.000 -0.150 0.000 1.228 83 I HN -0.332 nan 8.210 nan 0.000 0.443 84 K N 2.940 123.417 120.400 0.128 0.000 2.371 84 K HA 0.500 4.820 4.320 -0.000 0.000 0.251 84 K C 0.075 176.743 176.600 0.113 0.000 0.934 84 K CA -0.776 55.576 56.287 0.109 0.000 0.798 84 K CB 2.924 35.487 32.500 0.105 0.000 1.204 84 K HN 0.607 nan 8.250 nan 0.000 0.427 85 L N 1.019 122.291 121.223 0.082 0.000 2.362 85 L HA -0.147 4.193 4.340 -0.000 0.000 0.219 85 L C 1.885 178.771 176.870 0.027 0.000 1.134 85 L CA 1.128 55.995 54.840 0.044 0.000 0.807 85 L CB -0.307 41.728 42.059 -0.040 0.000 0.927 85 L HN 0.705 nan 8.230 nan 0.000 0.447 86 S N -2.668 113.062 115.700 0.049 0.000 2.527 86 S HA -0.003 4.467 4.470 -0.000 0.000 0.222 86 S C 0.580 175.232 174.600 0.086 0.000 0.985 86 S CA -0.272 57.955 58.200 0.045 0.000 0.921 86 S CB -0.361 62.867 63.200 0.047 0.000 0.772 86 S HN 0.233 nan 8.310 nan 0.000 0.529 87 D N 4.181 124.664 120.400 0.138 0.000 2.455 87 D HA 0.273 4.913 4.640 -0.000 0.000 0.241 87 D C -2.562 173.864 176.300 0.210 0.000 1.138 87 D CA -1.409 52.707 54.000 0.194 0.000 0.877 87 D CB 0.463 41.479 40.800 0.359 0.000 1.187 87 D HN 0.180 nan 8.370 nan 0.000 0.451 88 P HA 0.042 nan 4.420 nan 0.000 0.269 88 P C 0.784 178.242 177.300 0.263 0.000 1.209 88 P CA -0.137 63.087 63.100 0.208 0.000 0.776 88 P CB 0.553 32.346 31.700 0.154 0.000 0.876 89 T N 0.430 115.164 114.554 0.301 0.000 2.759 89 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 89 T C 1.605 176.428 174.700 0.205 0.000 1.042 89 T CA 2.359 64.632 62.100 0.288 0.000 1.140 89 T CB -1.031 68.023 68.868 0.311 0.000 0.864 89 T HN 0.620 nan 8.240 nan 0.000 0.455 90 T N 0.367 115.001 114.554 0.134 0.000 3.007 90 T HA 0.025 4.375 4.350 -0.000 0.000 0.270 90 T C 1.748 176.460 174.700 0.020 0.000 1.107 90 T CA 0.874 63.001 62.100 0.044 0.000 1.118 90 T CB -0.204 68.683 68.868 0.031 0.000 0.889 90 T HN 0.379 nan 8.240 nan 0.000 0.506 91 K N 0.213 120.603 120.400 -0.016 0.000 2.147 91 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 91 K C 1.151 177.510 176.600 -0.402 0.000 1.049 91 K CA 1.242 57.388 56.287 -0.236 0.000 0.936 91 K CB -0.167 32.115 32.500 -0.363 0.000 0.722 91 K HN 0.551 nan 8.250 nan 0.000 0.446 92 Y N -2.513 117.820 120.300 0.055 0.000 2.458 92 Y HA 0.095 4.645 4.550 -0.000 0.000 0.254 92 Y C 0.170 176.123 175.900 0.089 0.000 1.120 92 Y CA -0.539 57.582 58.100 0.035 0.000 1.282 92 Y CB 0.634 39.088 38.460 -0.010 0.000 1.109 92 Y HN 0.114 nan 8.280 nan 0.000 0.526 93 W N 2.344 123.635 121.300 -0.014 0.000 2.387 93 W HA 0.402 5.062 4.660 -0.000 0.000 0.285 93 W C -2.549 173.910 176.519 -0.101 0.000 1.011 93 W CA -3.772 53.526 57.345 -0.080 0.000 1.576 93 W CB 1.060 30.424 29.460 -0.160 0.000 1.540 93 W HN -0.101 nan 8.180 nan 0.000 0.383 94 P HA -0.214 nan 4.420 nan 0.000 0.216 94 P C 1.094 178.345 177.300 -0.082 0.000 1.150 94 P CA 2.166 65.275 63.100 0.016 0.000 0.837 94 P CB 0.512 32.235 31.700 0.038 0.000 0.786 95 E N -0.840 119.300 120.200 -0.100 0.000 2.265 95 E HA -0.111 4.239 4.350 -0.000 0.000 0.196 95 E C 0.695 177.031 176.600 -0.440 0.000 0.996 95 E CA 0.340 56.611 56.400 -0.214 0.000 0.832 95 E CB -0.744 28.882 29.700 -0.124 0.000 0.756 95 E HN 0.113 nan 8.360 nan 0.000 0.491 96 L N 1.987 122.776 121.223 -0.724 0.000 2.382 96 L HA 0.044 4.384 4.340 -0.000 0.000 0.259 96 L C 0.900 177.525 176.870 -0.409 0.000 1.291 96 L CA 0.545 54.904 54.840 -0.802 0.000 1.176 96 L CB -0.402 40.956 42.059 -1.167 0.000 1.373 96 L HN 0.068 nan 8.230 nan 0.000 0.426 97 T N -0.501 113.907 114.554 -0.242 0.000 3.057 97 T HA 0.306 4.656 4.350 -0.000 0.000 0.254 97 T C 1.009 175.708 174.700 -0.002 0.000 1.094 97 T CA 0.222 62.264 62.100 -0.096 0.000 1.088 97 T CB -0.105 68.722 68.868 -0.068 0.000 0.934 97 T HN 0.555 nan 8.240 nan 0.000 0.497 98 A N 1.812 124.652 122.820 0.034 0.000 2.587 98 A HA 0.162 4.482 4.320 -0.000 0.000 0.233 98 A C 1.535 179.246 177.584 0.213 0.000 1.049 98 A CA 0.243 52.371 52.037 0.153 0.000 0.754 98 A CB 0.012 19.177 19.000 0.274 0.000 0.977 98 A HN 0.503 nan 8.150 nan 0.000 0.509 99 K N 0.758 121.231 120.400 0.122 0.000 2.217 99 K HA -0.140 4.180 4.320 -0.000 0.000 0.202 99 K C 1.961 178.607 176.600 0.077 0.000 1.051 99 K CA 1.331 57.672 56.287 0.089 0.000 0.952 99 K CB -0.031 32.490 32.500 0.034 0.000 0.736 99 K HN 0.906 nan 8.250 nan 0.000 0.453 100 Q N -0.524 119.294 119.800 0.031 0.000 2.439 100 Q HA -0.183 4.157 4.340 -0.000 0.000 0.211 100 Q C 0.738 176.659 176.000 -0.131 0.000 0.978 100 Q CA 1.127 56.852 55.803 -0.130 0.000 0.897 100 Q CB -0.401 28.139 28.738 -0.331 0.000 0.956 100 Q HN 0.444 nan 8.270 nan 0.000 0.483 101 W N 1.595 122.951 121.300 0.092 0.000 3.256 101 W HA 0.189 4.849 4.660 -0.000 0.000 0.269 101 W C 0.027 176.618 176.519 0.120 0.000 1.310 101 W CA -0.615 56.818 57.345 0.147 0.000 1.673 101 W CB 0.044 29.575 29.460 0.118 0.000 1.115 101 W HN 0.053 nan 8.180 nan 0.000 0.686 102 N N 0.419 119.259 118.700 0.233 0.000 2.440 102 N HA 0.291 5.031 4.740 -0.000 0.000 0.265 102 N C 1.042 176.648 175.510 0.161 0.000 1.239 102 N CA 1.883 55.036 53.050 0.173 0.000 0.909 102 N CB 0.571 39.123 38.487 0.110 0.000 1.066 102 N HN 0.189 nan 8.380 nan 0.000 0.474 103 G N 2.218 111.135 108.800 0.194 0.000 2.176 103 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.253 103 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.253 103 G C 0.136 175.232 174.900 0.327 0.000 0.979 103 G CA -0.334 44.897 45.100 0.218 0.000 0.641 103 G HN 0.539 nan 8.290 nan 0.000 0.530 104 I N 3.122 123.902 120.570 0.349 0.000 2.322 104 I HA 0.339 4.509 4.170 -0.000 0.000 0.292 104 I C 1.291 177.699 176.117 0.485 0.000 1.060 104 I CA 0.260 61.849 61.300 0.481 0.000 1.309 104 I CB 0.737 38.961 38.000 0.374 0.000 1.415 104 I HN 0.314 nan 8.210 nan 0.000 0.492 105 T N 2.975 117.802 114.554 0.455 0.000 2.897 105 T HA 0.428 4.778 4.350 -0.000 0.000 0.278 105 T C 1.222 176.026 174.700 0.173 0.000 0.981 105 T CA -0.841 61.365 62.100 0.176 0.000 0.973 105 T CB 1.477 70.298 68.868 -0.078 0.000 1.092 105 T HN 0.415 nan 8.240 nan 0.000 0.543 106 L N 0.214 121.531 121.223 0.157 0.000 2.131 106 L HA -0.001 4.339 4.340 -0.000 0.000 0.210 106 L C 2.525 179.408 176.870 0.023 0.000 1.092 106 L CA 0.788 55.749 54.840 0.201 0.000 0.759 106 L CB -0.719 41.489 42.059 0.249 0.000 0.903 106 L HN 0.596 nan 8.230 nan 0.000 0.435 107 L N -0.305 120.862 121.223 -0.092 0.000 2.012 107 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 107 L C 2.400 179.232 176.870 -0.064 0.000 1.073 107 L CA 1.953 56.673 54.840 -0.200 0.000 0.748 107 L CB -0.650 41.297 42.059 -0.187 0.000 0.891 107 L HN 0.235 nan 8.230 nan 0.000 0.431 108 H N -1.061 118.067 119.070 0.097 0.000 2.319 108 H HA -0.192 4.364 4.556 -0.000 0.000 0.297 108 H C 2.265 177.586 175.328 -0.012 0.000 1.097 108 H CA 1.722 57.819 56.048 0.083 0.000 1.285 108 H CB -0.186 29.651 29.762 0.125 0.000 1.368 108 H HN 0.322 nan 8.280 nan 0.000 0.495 109 L N 0.093 121.396 121.223 0.134 0.000 2.017 109 L HA -0.185 4.154 4.340 -0.000 0.000 0.208 109 L C 2.852 179.636 176.870 -0.145 0.000 1.073 109 L CA 0.882 55.765 54.840 0.072 0.000 0.745 109 L CB -0.493 41.684 42.059 0.196 0.000 0.894 109 L HN 0.356 nan 8.230 nan 0.000 0.432 110 A N -0.323 122.227 122.820 -0.449 0.000 1.969 110 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 110 A C 2.102 179.258 177.584 -0.713 0.000 1.169 110 A CA 1.976 53.497 52.037 -0.859 0.000 0.635 110 A CB -0.634 17.386 19.000 -1.634 0.000 0.810 110 A HN 0.521 nan 8.150 nan 0.000 0.445 111 T N -6.335 107.915 114.554 -0.506 0.000 3.134 111 T HA 0.313 4.663 4.350 -0.000 0.000 0.260 111 T C 0.219 174.681 174.700 -0.397 0.000 1.027 111 T CA 0.238 62.073 62.100 -0.441 0.000 0.913 111 T CB -0.517 68.392 68.868 0.069 0.000 1.046 111 T HN 0.683 nan 8.240 nan 0.000 0.553 112 Y N 0.888 121.170 120.300 -0.031 0.000 4.272 112 Y HA -0.248 4.302 4.550 -0.000 0.000 0.232 112 Y C 1.127 176.972 175.900 -0.092 0.000 1.149 112 Y CA 0.465 58.542 58.100 -0.038 0.000 1.961 112 Y CB -3.165 35.295 38.460 0.000 0.000 1.611 112 Y HN 0.597 nan 8.280 nan 0.000 0.682 113 T N -4.290 110.234 114.554 -0.051 0.000 3.248 113 T HA 0.704 5.054 4.350 -0.000 0.000 0.271 113 T C 1.385 176.001 174.700 -0.139 0.000 1.005 113 T CA 0.160 62.134 62.100 -0.210 0.000 0.902 113 T CB 0.614 69.111 68.868 -0.619 0.000 1.102 113 T HN 0.498 nan 8.240 nan 0.000 0.548 114 A N 1.249 124.064 122.820 -0.008 0.000 2.119 114 A HA 0.593 4.913 4.320 -0.000 0.000 0.216 114 A C 1.853 179.489 177.584 0.087 0.000 1.152 114 A CA 0.540 52.572 52.037 -0.008 0.000 0.708 114 A CB -0.721 18.269 19.000 -0.015 0.000 0.805 114 A HN 1.472 nan 8.150 nan 0.000 0.460 115 G N -2.797 106.121 108.800 0.198 0.000 2.247 115 G HA2 0.405 4.365 3.960 -0.000 0.000 0.111 115 G HA3 0.405 4.365 3.960 -0.000 0.000 0.111 115 G C 0.969 176.202 174.900 0.555 0.000 1.045 115 G CA 0.302 45.623 45.100 0.369 0.000 0.715 115 G HN 1.988 nan 8.290 nan 0.000 0.485 116 G N -0.916 108.230 108.800 0.576 0.000 2.167 116 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.194 116 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.194 116 G C 0.420 175.591 174.900 0.452 0.000 1.027 116 G CA 0.018 45.431 45.100 0.522 0.000 0.717 116 G HN 1.301 nan 8.290 nan 0.000 0.501 117 L N 1.717 123.042 121.223 0.169 0.000 2.525 117 L HA 0.256 4.596 4.340 -0.000 0.000 0.278 117 L C -0.813 176.081 176.870 0.040 0.000 1.218 117 L CA -1.260 53.444 54.840 -0.227 0.000 0.878 117 L CB 0.419 42.259 42.059 -0.364 0.000 1.127 117 L HN 0.114 nan 8.230 nan 0.000 0.492 118 P HA -0.032 nan 4.420 nan 0.000 0.274 118 P C 0.495 177.853 177.300 0.097 0.000 1.237 118 P CA -0.554 62.629 63.100 0.139 0.000 0.793 118 P CB 1.004 32.827 31.700 0.204 0.000 0.977 119 L N 0.585 121.853 121.223 0.075 0.000 2.013 119 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 119 L C 0.830 177.709 176.870 0.015 0.000 1.073 119 L CA 2.103 56.961 54.840 0.029 0.000 0.753 119 L CB -0.780 41.308 42.059 0.048 0.000 0.890 119 L HN 0.359 nan 8.230 nan 0.000 0.432 120 Q N -0.534 119.283 119.800 0.028 0.000 2.342 120 Q HA 0.372 4.712 4.340 -0.000 0.000 0.267 120 Q C -0.884 175.095 176.000 -0.034 0.000 1.038 120 Q CA -0.830 54.972 55.803 -0.000 0.000 0.832 120 Q CB 2.093 30.816 28.738 -0.025 0.000 1.323 120 Q HN -0.089 nan 8.270 nan 0.000 0.448 121 V N 4.010 123.873 119.914 -0.086 0.000 2.479 121 V HA 0.088 4.208 4.120 -0.000 0.000 0.281 121 V C -1.937 173.952 176.094 -0.342 0.000 1.031 121 V CA -1.023 61.069 62.300 -0.347 0.000 1.038 121 V CB 0.187 31.864 31.823 -0.244 0.000 0.981 121 V HN 0.583 nan 8.190 nan 0.000 0.478 122 P HA -0.067 nan 4.420 nan 0.000 0.263 122 P C 0.770 177.961 177.300 -0.182 0.000 1.168 122 P CA 0.288 63.224 63.100 -0.272 0.000 0.759 122 P CB 0.443 31.966 31.700 -0.295 0.000 0.782 123 D N 1.998 122.342 120.400 -0.093 0.000 2.263 123 D HA -0.151 4.489 4.640 -0.000 0.000 0.208 123 D C 0.877 177.150 176.300 -0.044 0.000 0.971 123 D CA 1.215 55.184 54.000 -0.051 0.000 0.867 123 D CB 0.275 41.060 40.800 -0.025 0.000 0.929 123 D HN 0.432 nan 8.370 nan 0.000 0.492 124 E N -0.577 119.592 120.200 -0.052 0.000 2.435 124 E HA 0.039 4.388 4.350 -0.000 0.000 0.195 124 E C 0.322 176.898 176.600 -0.039 0.000 1.029 124 E CA -0.097 56.284 56.400 -0.032 0.000 0.865 124 E CB 0.613 30.303 29.700 -0.017 0.000 0.833 124 E HN 0.011 nan 8.360 nan 0.000 0.510 125 V N 1.642 121.505 119.914 -0.084 0.000 2.488 125 V HA 0.086 4.206 4.120 -0.000 0.000 0.277 125 V C 0.828 176.896 176.094 -0.044 0.000 1.046 125 V CA 0.420 62.672 62.300 -0.080 0.000 0.986 125 V CB 1.319 33.023 31.823 -0.199 0.000 0.989 125 V HN 0.154 nan 8.190 nan 0.000 0.475 126 K N 1.958 122.354 120.400 -0.007 0.000 2.763 126 K HA 0.171 4.491 4.320 -0.000 0.000 0.207 126 K C 0.887 177.497 176.600 0.017 0.000 1.532 126 K CA 0.268 56.557 56.287 0.002 0.000 1.059 126 K CB 0.375 32.878 32.500 0.006 0.000 1.854 126 K HN 0.684 nan 8.250 nan 0.000 0.497 127 S N 0.506 116.225 115.700 0.031 0.000 2.634 127 S HA 0.144 4.614 4.470 -0.000 0.000 0.261 127 S C 1.086 175.728 174.600 0.070 0.000 1.271 127 S CA -0.388 57.837 58.200 0.042 0.000 0.985 127 S CB 1.508 64.734 63.200 0.044 0.000 0.968 127 S HN 0.110 nan 8.310 nan 0.000 0.568 128 S N 1.184 116.927 115.700 0.072 0.000 2.399 128 S HA -0.108 4.362 4.470 -0.000 0.000 0.231 128 S C 2.232 176.946 174.600 0.191 0.000 1.022 128 S CA 1.337 59.604 58.200 0.112 0.000 0.983 128 S CB -0.761 62.485 63.200 0.077 0.000 0.803 128 S HN 0.897 nan 8.310 nan 0.000 0.480 129 S N 2.131 117.918 115.700 0.144 0.000 2.387 129 S HA -0.105 4.365 4.470 -0.000 0.000 0.226 129 S C 1.289 175.981 174.600 0.152 0.000 1.026 129 S CA 0.986 59.273 58.200 0.144 0.000 0.972 129 S CB -0.494 62.763 63.200 0.095 0.000 0.814 129 S HN 0.363 nan 8.310 nan 0.000 0.477 130 D N 1.542 122.021 120.400 0.132 0.000 2.144 130 D HA -0.019 4.621 4.640 -0.000 0.000 0.199 130 D C 1.833 178.255 176.300 0.204 0.000 0.984 130 D CA 0.681 54.758 54.000 0.130 0.000 0.834 130 D CB -0.399 40.448 40.800 0.078 0.000 0.955 130 D HN 0.305 nan 8.370 nan 0.000 0.465 131 L N 0.544 121.923 121.223 0.259 0.000 2.044 131 L HA -0.046 4.294 4.340 -0.000 0.000 0.205 131 L C 2.143 179.392 176.870 0.632 0.000 1.075 131 L CA 0.974 56.069 54.840 0.425 0.000 0.747 131 L CB -0.684 41.611 42.059 0.393 0.000 0.903 131 L HN -0.024 nan 8.230 nan 0.000 0.435 132 L N -0.025 121.526 121.223 0.547 0.000 1.989 132 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 132 L C 2.751 179.700 176.870 0.131 0.000 1.071 132 L CA 2.225 57.225 54.840 0.267 0.000 0.749 132 L CB -0.761 41.402 42.059 0.173 0.000 0.890 132 L HN 0.364 nan 8.230 nan 0.000 0.431 133 R N -1.347 119.251 120.500 0.163 0.000 2.103 133 R HA -0.275 4.065 4.340 -0.000 0.000 0.242 133 R C 2.325 178.729 176.300 0.174 0.000 1.142 133 R CA 2.165 58.345 56.100 0.133 0.000 0.960 133 R CB -0.779 29.598 30.300 0.128 0.000 0.858 133 R HN 0.464 nan 8.270 nan 0.000 0.439 134 F N 0.309 120.299 119.950 0.067 0.000 2.069 134 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 134 F C 1.452 177.279 175.800 0.044 0.000 1.113 134 F CA 1.579 59.575 58.000 -0.006 0.000 1.214 134 F CB -0.675 38.244 39.000 -0.136 0.000 0.978 134 F HN 0.031 nan 8.300 nan 0.000 0.474 135 Y N 0.633 120.903 120.300 -0.050 0.000 2.314 135 Y HA -0.116 4.434 4.550 -0.000 0.000 0.293 135 Y C 2.650 178.695 175.900 0.242 0.000 1.129 135 Y CA 1.552 59.656 58.100 0.007 0.000 1.201 135 Y CB -0.970 37.538 38.460 0.079 0.000 0.999 135 Y HN 0.204 nan 8.280 nan 0.000 0.541 136 Q N -0.184 119.727 119.800 0.185 0.000 2.170 136 Q HA -0.197 4.143 4.340 -0.000 0.000 0.203 136 Q C 1.283 177.390 176.000 0.178 0.000 0.976 136 Q CA 1.617 57.513 55.803 0.156 0.000 0.858 136 Q CB -0.288 28.454 28.738 0.007 0.000 0.907 136 Q HN 0.615 nan 8.270 nan 0.000 0.433 137 N N -0.875 117.899 118.700 0.123 0.000 2.353 137 N HA -0.018 4.722 4.740 -0.000 0.000 0.185 137 N C -0.418 175.125 175.510 0.055 0.000 1.098 137 N CA -0.360 52.732 53.050 0.070 0.000 0.872 137 N CB 0.220 38.742 38.487 0.059 0.000 0.970 137 N HN 0.211 nan 8.380 nan 0.000 0.467 138 W N 2.679 123.909 121.300 -0.115 0.000 2.251 138 W HA 0.104 4.764 4.660 -0.000 0.000 0.327 138 W C -0.663 175.768 176.519 -0.146 0.000 1.361 138 W CA -0.086 57.152 57.345 -0.179 0.000 1.234 138 W CB 0.584 29.887 29.460 -0.260 0.000 1.212 138 W HN -0.059 nan 8.180 nan 0.000 0.557 139 Q N 8.309 127.536 119.800 -0.955 0.000 2.333 139 Q HA 0.301 4.640 4.340 -0.000 0.000 0.268 139 Q C -2.132 173.000 176.000 -1.447 0.000 1.007 139 Q CA -2.126 53.054 55.803 -1.038 0.000 0.810 139 Q CB 1.350 29.775 28.738 -0.523 0.000 1.264 139 Q HN 0.382 nan 8.270 nan 0.000 0.452 140 P HA 0.056 nan 4.420 nan 0.000 0.268 140 P C -0.106 176.838 177.300 -0.594 0.000 1.205 140 P CA 0.100 62.587 63.100 -1.023 0.000 0.771 140 P CB 0.896 32.150 31.700 -0.743 0.000 0.858 141 A N 3.153 125.642 122.820 -0.552 0.000 2.072 141 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 141 A C 0.386 177.409 177.584 -0.935 0.000 1.156 141 A CA 0.626 52.136 52.037 -0.879 0.000 0.701 141 A CB -0.205 17.945 19.000 -1.415 0.000 0.816 141 A HN 0.577 nan 8.150 nan 0.000 0.458 142 W N -2.697 118.552 121.300 -0.084 0.000 3.047 142 W HA 0.636 5.296 4.660 -0.000 0.000 0.341 142 W C -0.003 176.460 176.519 -0.094 0.000 1.225 142 W CA -1.269 56.031 57.345 -0.075 0.000 1.150 142 W CB 1.023 30.452 29.460 -0.052 0.000 1.470 142 W HN 0.111 nan 8.180 nan 0.000 0.578 143 A N 3.068 125.985 122.820 0.163 0.000 2.425 143 A HA 0.472 4.792 4.320 -0.000 0.000 0.242 143 A C -2.091 175.498 177.584 0.008 0.000 1.077 143 A CA -0.805 51.262 52.037 0.050 0.000 0.781 143 A CB -0.786 18.242 19.000 0.046 0.000 1.020 143 A HN 0.141 nan 8.150 nan 0.000 0.494 144 P HA 0.232 nan 4.420 nan 0.000 0.268 144 P C 0.738 177.858 177.300 -0.299 0.000 1.204 144 P CA 1.489 64.414 63.100 -0.292 0.000 0.768 144 P CB 0.589 32.099 31.700 -0.317 0.000 0.842 145 G N 2.265 110.796 108.800 -0.448 0.000 2.160 145 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.251 145 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.251 145 G C 0.643 175.467 174.900 -0.128 0.000 1.008 145 G CA 0.740 45.770 45.100 -0.117 0.000 0.724 145 G HN 0.714 nan 8.290 nan 0.000 0.514 146 T N -4.844 109.597 114.554 -0.187 0.000 3.026 146 T HA 0.429 4.779 4.350 -0.000 0.000 0.245 146 T C 0.617 175.153 174.700 -0.273 0.000 1.004 146 T CA 0.801 62.815 62.100 -0.143 0.000 1.069 146 T CB 0.600 69.431 68.868 -0.063 0.000 1.005 146 T HN 0.264 nan 8.240 nan 0.000 0.472 147 Q N 1.031 120.617 119.800 -0.356 0.000 2.356 147 Q HA 0.474 4.814 4.340 -0.000 0.000 0.270 147 Q C -1.280 174.498 176.000 -0.371 0.000 1.058 147 Q CA -0.508 55.006 55.803 -0.482 0.000 0.802 147 Q CB 3.078 31.242 28.738 -0.958 0.000 1.303 147 Q HN 0.385 nan 8.270 nan 0.000 0.444 148 R N 2.366 122.682 120.500 -0.307 0.000 2.207 148 R HA 0.461 4.801 4.340 -0.000 0.000 0.334 148 R C -1.147 175.106 176.300 -0.078 0.000 1.013 148 R CA -0.530 55.481 56.100 -0.148 0.000 0.858 148 R CB 0.353 30.605 30.300 -0.079 0.000 1.094 148 R HN 0.420 nan 8.270 nan 0.000 0.457 149 L N 6.271 127.515 121.223 0.035 0.000 2.388 149 L HA 0.256 4.596 4.340 -0.000 0.000 0.267 149 L C -1.278 175.624 176.870 0.053 0.000 0.995 149 L CA -0.724 54.165 54.840 0.083 0.000 0.864 149 L CB 0.894 43.079 42.059 0.210 0.000 1.216 149 L HN 0.601 nan 8.230 nan 0.000 0.430 150 Y N 4.809 124.971 120.300 -0.229 0.000 2.881 150 Y HA 0.315 4.865 4.550 -0.000 0.000 0.335 150 Y C 0.112 175.820 175.900 -0.320 0.000 1.263 150 Y CA 0.964 58.702 58.100 -0.603 0.000 1.572 150 Y CB 0.393 38.573 38.460 -0.466 0.000 1.237 150 Y HN 0.819 nan 8.280 nan 0.000 0.568 151 A N 5.739 128.094 122.820 -0.776 0.000 2.512 151 A HA 0.254 4.574 4.320 -0.000 0.000 0.294 151 A C -0.125 177.339 177.584 -0.200 0.000 1.054 151 A CA -0.892 50.966 52.037 -0.298 0.000 0.756 151 A CB 0.772 19.759 19.000 -0.021 0.000 1.293 151 A HN 0.801 nan 8.150 nan 0.000 0.395 152 N N 1.166 119.786 118.700 -0.133 0.000 2.223 152 N HA -0.149 4.591 4.740 -0.000 0.000 0.185 152 N C 1.949 177.524 175.510 0.108 0.000 1.016 152 N CA 1.895 54.956 53.050 0.018 0.000 0.863 152 N CB -0.037 38.511 38.487 0.102 0.000 0.983 152 N HN 0.848 nan 8.380 nan 0.000 0.429 153 S N -0.957 114.827 115.700 0.140 0.000 2.481 153 S HA 0.053 4.523 4.470 -0.000 0.000 0.231 153 S C 2.037 176.816 174.600 0.300 0.000 0.996 153 S CA 0.715 59.083 58.200 0.280 0.000 0.942 153 S CB 0.066 63.469 63.200 0.339 0.000 0.768 153 S HN 0.155 nan 8.310 nan 0.000 0.520 154 S N 1.302 117.116 115.700 0.190 0.000 2.315 154 S HA 0.242 4.712 4.470 -0.000 0.000 0.211 154 S C 1.638 176.325 174.600 0.146 0.000 1.029 154 S CA 0.568 58.866 58.200 0.164 0.000 0.956 154 S CB -0.532 62.777 63.200 0.181 0.000 0.918 154 S HN 0.564 nan 8.310 nan 0.000 0.470 155 I N 1.189 121.844 120.570 0.141 0.000 2.394 155 I HA -0.007 4.163 4.170 -0.000 0.000 0.251 155 I C 2.155 178.350 176.117 0.131 0.000 1.136 155 I CA 1.117 62.489 61.300 0.119 0.000 1.425 155 I CB -0.635 37.417 38.000 0.087 0.000 1.079 155 I HN 0.476 nan 8.210 nan 0.000 0.425 156 G N 1.097 109.944 108.800 0.078 0.000 2.446 156 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.217 156 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.217 156 G C 1.538 176.398 174.900 -0.067 0.000 1.168 156 G CA 0.984 46.068 45.100 -0.027 0.000 0.771 156 G HN 0.376 nan 8.290 nan 0.000 0.551 157 L N -0.204 121.033 121.223 0.024 0.000 2.056 157 L HA 0.123 4.463 4.340 -0.000 0.000 0.207 157 L C 2.462 179.290 176.870 -0.070 0.000 1.078 157 L CA 1.595 56.390 54.840 -0.075 0.000 0.749 157 L CB -0.857 41.119 42.059 -0.138 0.000 0.901 157 L HN 0.244 nan 8.230 nan 0.000 0.433 158 F N 0.463 120.353 119.950 -0.100 0.000 2.091 158 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 158 F C 2.176 177.911 175.800 -0.109 0.000 1.103 158 F CA 1.978 59.919 58.000 -0.097 0.000 1.228 158 F CB -1.073 37.882 39.000 -0.075 0.000 0.984 158 F HN 0.132 nan 8.300 nan 0.000 0.477 159 G N -0.353 108.314 108.800 -0.221 0.000 2.446 159 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.217 159 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.217 159 G C 1.824 176.560 174.900 -0.273 0.000 1.168 159 G CA 1.078 46.014 45.100 -0.272 0.000 0.771 159 G HN 0.685 nan 8.290 nan 0.000 0.551 160 A N 0.371 122.985 122.820 -0.343 0.000 1.902 160 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 160 A C 2.428 179.845 177.584 -0.279 0.000 1.181 160 A CA 1.295 53.157 52.037 -0.292 0.000 0.623 160 A CB -0.332 18.466 19.000 -0.336 0.000 0.818 160 A HN 0.365 nan 8.150 nan 0.000 0.443 161 L N -1.101 119.925 121.223 -0.329 0.000 2.179 161 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 161 L C 2.952 179.565 176.870 -0.429 0.000 1.096 161 L CA 0.718 55.363 54.840 -0.324 0.000 0.779 161 L CB -0.482 41.423 42.059 -0.256 0.000 0.922 161 L HN 0.403 nan 8.230 nan 0.000 0.443 162 A N 0.329 122.828 122.820 -0.534 0.000 2.019 162 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 162 A C 2.103 179.478 177.584 -0.348 0.000 1.164 162 A CA 1.740 53.425 52.037 -0.586 0.000 0.644 162 A CB -0.634 17.862 19.000 -0.841 0.000 0.805 162 A HN 0.339 nan 8.150 nan 0.000 0.449 163 V N -4.058 115.716 119.914 -0.233 0.000 3.649 163 V HA 0.100 4.220 4.120 -0.000 0.000 0.275 163 V C 1.613 177.636 176.094 -0.118 0.000 1.281 163 V CA 0.735 62.944 62.300 -0.153 0.000 1.143 163 V CB -0.365 31.399 31.823 -0.099 0.000 0.892 163 V HN 0.229 nan 8.190 nan 0.000 0.441 164 K N 1.569 121.897 120.400 -0.121 0.000 2.026 164 K HA 0.003 4.323 4.320 -0.000 0.000 0.208 164 K C 0.204 176.799 176.600 -0.008 0.000 1.048 164 K CA 1.770 58.025 56.287 -0.053 0.000 0.929 164 K CB -1.774 30.722 32.500 -0.006 0.000 0.713 164 K HN 0.470 nan 8.250 nan 0.000 0.439 165 P HA -0.132 nan 4.420 nan 0.000 0.216 165 P C 1.541 178.838 177.300 -0.006 0.000 1.150 165 P CA 1.601 64.723 63.100 0.036 0.000 0.837 165 P CB -0.106 31.632 31.700 0.063 0.000 0.786 166 S N -1.322 114.356 115.700 -0.037 0.000 2.399 166 S HA -0.011 4.459 4.470 -0.000 0.000 0.231 166 S C 1.901 176.474 174.600 -0.044 0.000 1.022 166 S CA 1.322 59.493 58.200 -0.049 0.000 0.983 166 S CB -1.562 61.591 63.200 -0.078 0.000 0.803 166 S HN 0.323 nan 8.310 nan 0.000 0.480 167 G N 0.454 109.228 108.800 -0.043 0.000 2.176 167 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.253 167 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.253 167 G C -0.054 174.818 174.900 -0.048 0.000 0.979 167 G CA 0.381 45.458 45.100 -0.038 0.000 0.641 167 G HN 0.582 nan 8.290 nan 0.000 0.530 168 L N 1.575 122.760 121.223 -0.063 0.000 2.375 168 L HA 0.636 4.976 4.340 -0.000 0.000 0.268 168 L C 1.480 178.308 176.870 -0.070 0.000 1.058 168 L CA -0.386 54.411 54.840 -0.072 0.000 0.803 168 L CB 1.483 43.484 42.059 -0.098 0.000 1.212 168 L HN 0.376 nan 8.230 nan 0.000 0.451 169 S N 0.216 115.880 115.700 -0.060 0.000 2.580 169 S HA 0.008 4.478 4.470 -0.000 0.000 0.266 169 S C 0.829 175.404 174.600 -0.041 0.000 1.354 169 S CA -0.290 57.888 58.200 -0.037 0.000 1.008 169 S CB 0.371 63.556 63.200 -0.027 0.000 0.898 169 S HN 0.552 nan 8.310 nan 0.000 0.555 170 F N 1.632 121.497 119.950 -0.142 0.000 2.134 170 F HA -0.050 4.477 4.527 -0.000 0.000 0.299 170 F C 2.139 177.837 175.800 -0.170 0.000 1.097 170 F CA 2.069 59.970 58.000 -0.165 0.000 1.264 170 F CB -0.559 38.341 39.000 -0.168 0.000 1.001 170 F HN 0.722 nan 8.300 nan 0.000 0.479 171 E N -0.152 120.025 120.200 -0.038 0.000 2.077 171 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 171 E C 2.063 178.540 176.600 -0.205 0.000 0.989 171 E CA 1.463 57.794 56.400 -0.114 0.000 0.800 171 E CB -0.369 29.332 29.700 0.001 0.000 0.746 171 E HN 0.415 nan 8.360 nan 0.000 0.452 172 Q N 0.329 120.034 119.800 -0.159 0.000 2.079 172 Q HA -0.011 4.329 4.340 -0.000 0.000 0.200 172 Q C 1.965 177.829 176.000 -0.226 0.000 0.974 172 Q CA 1.748 57.460 55.803 -0.152 0.000 0.840 172 Q CB -0.387 28.291 28.738 -0.100 0.000 0.898 172 Q HN 0.258 nan 8.270 nan 0.000 0.430 173 A N -0.153 122.495 122.820 -0.287 0.000 1.930 173 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 173 A C 2.041 179.351 177.584 -0.456 0.000 1.175 173 A CA 1.685 53.526 52.037 -0.327 0.000 0.627 173 A CB -0.591 18.215 19.000 -0.323 0.000 0.815 173 A HN 0.508 nan 8.150 nan 0.000 0.443 174 M N -0.453 118.741 119.600 -0.676 0.000 2.067 174 M HA -0.145 4.335 4.480 -0.000 0.000 0.260 174 M C 2.119 177.870 176.300 -0.915 0.000 1.069 174 M CA 1.745 56.505 55.300 -0.901 0.000 1.117 174 M CB -0.574 31.337 32.600 -1.149 0.000 1.334 174 M HN 0.408 nan 8.290 nan 0.000 0.407 175 Q N -0.631 118.785 119.800 -0.640 0.000 2.096 175 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 175 Q C 2.064 177.941 176.000 -0.206 0.000 0.982 175 Q CA 2.512 58.125 55.803 -0.316 0.000 0.850 175 Q CB -0.959 27.718 28.738 -0.102 0.000 0.901 175 Q HN 0.792 nan 8.270 nan 0.000 0.422 176 T N -2.193 112.238 114.554 -0.205 0.000 2.978 176 T HA 0.044 4.394 4.350 -0.000 0.000 0.262 176 T C 1.766 176.391 174.700 -0.124 0.000 1.063 176 T CA 0.477 62.498 62.100 -0.133 0.000 1.140 176 T CB 0.026 68.825 68.868 -0.115 0.000 0.886 176 T HN 0.183 nan 8.240 nan 0.000 0.470 177 R N 0.071 120.467 120.500 -0.173 0.000 2.254 177 R HA 0.370 4.710 4.340 -0.000 0.000 0.193 177 R C 1.725 177.972 176.300 -0.088 0.000 0.929 177 R CA 0.280 56.306 56.100 -0.124 0.000 1.038 177 R CB 0.304 30.520 30.300 -0.141 0.000 1.009 177 R HN 0.286 nan 8.270 nan 0.000 0.512 178 V N -0.649 119.177 119.914 -0.148 0.000 3.001 178 V HA 0.023 4.143 4.120 -0.000 0.000 0.228 178 V C 1.534 177.694 176.094 0.110 0.000 1.204 178 V CA 0.581 62.870 62.300 -0.019 0.000 1.247 178 V CB -0.376 31.399 31.823 -0.079 0.000 1.093 178 V HN -0.027 nan 8.190 nan 0.000 0.504 179 F N 1.410 121.297 119.950 -0.105 0.000 2.102 179 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 179 F C 2.614 178.333 175.800 -0.135 0.000 1.105 179 F CA 1.466 59.364 58.000 -0.169 0.000 1.239 179 F CB -1.167 37.638 39.000 -0.325 0.000 0.991 179 F HN 0.199 nan 8.300 nan 0.000 0.474 180 Q N -0.320 119.518 119.800 0.063 0.000 2.016 180 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 180 Q C -0.297 175.706 176.000 0.006 0.000 0.978 180 Q CA 1.604 57.405 55.803 -0.003 0.000 0.833 180 Q CB -1.430 27.291 28.738 -0.029 0.000 0.895 180 Q HN 0.264 nan 8.270 nan 0.000 0.427 181 P HA -0.145 nan 4.420 nan 0.000 0.218 181 P C 0.636 177.962 177.300 0.043 0.000 1.148 181 P CA 1.187 64.300 63.100 0.022 0.000 0.822 181 P CB 0.050 31.764 31.700 0.022 0.000 0.784 182 L N -1.355 119.920 121.223 0.086 0.000 2.611 182 L HA 0.148 4.488 4.340 -0.000 0.000 0.229 182 L C 0.385 177.296 176.870 0.068 0.000 1.137 182 L CA 0.089 54.995 54.840 0.109 0.000 0.901 182 L CB -0.683 41.513 42.059 0.227 0.000 1.098 182 L HN -0.046 nan 8.230 nan 0.000 0.456 183 K N 0.820 121.233 120.400 0.023 0.000 3.096 183 K HA -0.174 4.146 4.320 -0.000 0.000 0.266 183 K C -0.236 176.329 176.600 -0.058 0.000 1.043 183 K CA 0.367 56.639 56.287 -0.026 0.000 0.758 183 K CB -1.675 30.814 32.500 -0.018 0.000 1.260 183 K HN 0.326 nan 8.250 nan 0.000 0.481 184 L N 1.271 122.447 121.223 -0.078 0.000 2.399 184 L HA 0.117 4.457 4.340 -0.000 0.000 0.257 184 L C 1.057 177.678 176.870 -0.415 0.000 1.236 184 L CA -0.475 54.243 54.840 -0.203 0.000 1.144 184 L CB 0.060 41.990 42.059 -0.215 0.000 1.379 184 L HN 0.186 nan 8.230 nan 0.000 0.414 185 N N 0.041 118.506 118.700 -0.391 0.000 2.467 185 N HA -0.034 4.706 4.740 -0.000 0.000 0.184 185 N C 0.644 175.646 175.510 -0.847 0.000 1.106 185 N CA 0.679 53.393 53.050 -0.561 0.000 0.892 185 N CB 0.273 38.492 38.487 -0.447 0.000 0.969 185 N HN 0.507 nan 8.380 nan 0.000 0.454 186 H N -0.525 118.272 119.070 -0.455 0.000 2.562 186 H HA 0.280 4.836 4.556 -0.000 0.000 0.249 186 H C -0.317 174.580 175.328 -0.718 0.000 1.195 186 H CA -0.101 55.724 56.048 -0.371 0.000 0.938 186 H CB 0.334 30.059 29.762 -0.060 0.000 1.891 186 H HN -0.135 nan 8.280 nan 0.000 0.595 187 T N 0.904 114.703 114.554 -1.259 0.000 2.812 187 T HA 0.351 4.701 4.350 -0.000 0.000 0.282 187 T C -0.628 173.106 174.700 -1.609 0.000 0.990 187 T CA -0.502 60.816 62.100 -1.303 0.000 0.960 187 T CB 1.213 69.197 68.868 -1.474 0.000 0.948 187 T HN 0.229 nan 8.240 nan 0.000 0.438 188 W N 1.993 122.971 121.300 -0.537 0.000 3.022 188 W HA 0.560 5.220 4.660 0.000 0.000 0.335 188 W C 0.618 177.003 176.519 -0.223 0.000 1.133 188 W CA -0.897 56.266 57.345 -0.304 0.000 1.219 188 W CB 1.000 30.301 29.460 -0.266 0.000 1.409 188 W HN 0.485 nan 8.180 nan 0.000 0.507 189 I N 1.558 122.224 120.570 0.160 0.000 2.585 189 I HA -0.053 4.117 4.170 -0.000 0.000 0.254 189 I C 0.275 176.410 176.117 0.031 0.000 1.129 189 I CA 0.854 62.197 61.300 0.073 0.000 1.455 189 I CB -0.075 37.981 38.000 0.094 0.000 1.111 189 I HN 0.315 nan 8.210 nan 0.000 0.433 190 N N 1.190 119.927 118.700 0.062 0.000 2.443 190 N HA 0.260 5.000 4.740 -0.000 0.000 0.269 190 N C -0.835 174.606 175.510 -0.114 0.000 0.985 190 N CA -0.264 52.770 53.050 -0.025 0.000 0.921 190 N CB 2.760 41.233 38.487 -0.022 0.000 1.195 190 N HN -0.220 nan 8.380 nan 0.000 0.492 191 V N 4.516 124.289 119.914 -0.236 0.000 2.479 191 V HA 0.141 4.261 4.120 -0.000 0.000 0.281 191 V C -1.494 174.319 176.094 -0.469 0.000 1.031 191 V CA -0.868 61.151 62.300 -0.467 0.000 1.038 191 V CB 0.325 31.847 31.823 -0.501 0.000 0.981 191 V HN 0.531 nan 8.190 nan 0.000 0.478 192 P HA 0.266 nan 4.420 nan 0.000 0.274 192 P C -2.294 174.796 177.300 -0.350 0.000 1.237 192 P CA -1.805 60.978 63.100 -0.529 0.000 0.793 192 P CB 0.506 31.761 31.700 -0.742 0.000 0.977 193 P HA -0.226 nan 4.420 nan 0.000 0.216 193 P C 1.438 178.659 177.300 -0.132 0.000 1.157 193 P CA 2.369 65.385 63.100 -0.139 0.000 0.880 193 P CB -0.499 31.140 31.700 -0.102 0.000 0.791 194 A N -0.542 122.186 122.820 -0.153 0.000 2.125 194 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 194 A C 1.956 179.471 177.584 -0.116 0.000 1.156 194 A CA 1.394 53.364 52.037 -0.111 0.000 0.671 194 A CB -0.722 18.224 19.000 -0.091 0.000 0.794 194 A HN 0.125 nan 8.150 nan 0.000 0.459 195 E N -0.527 119.554 120.200 -0.199 0.000 2.476 195 E HA 0.003 4.353 4.350 -0.000 0.000 0.199 195 E C 1.293 177.818 176.600 -0.124 0.000 1.021 195 E CA 0.066 56.358 56.400 -0.180 0.000 0.907 195 E CB -0.021 29.475 29.700 -0.339 0.000 0.974 195 E HN 0.736 nan 8.360 nan 0.000 0.489 196 E N 1.473 121.613 120.200 -0.099 0.000 2.114 196 E HA -0.265 4.085 4.350 -0.000 0.000 0.199 196 E C 2.025 178.628 176.600 0.005 0.000 1.008 196 E CA 1.859 58.244 56.400 -0.026 0.000 0.810 196 E CB -0.154 29.532 29.700 -0.024 0.000 0.739 196 E HN 0.271 nan 8.360 nan 0.000 0.456 197 K N 0.441 120.837 120.400 -0.005 0.000 2.103 197 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 197 K C 1.536 178.147 176.600 0.019 0.000 1.048 197 K CA 1.570 57.864 56.287 0.013 0.000 0.930 197 K CB -0.106 32.397 32.500 0.005 0.000 0.716 197 K HN -0.004 nan 8.250 nan 0.000 0.444 198 N N -0.195 118.507 118.700 0.003 0.000 2.463 198 N HA -0.082 4.658 4.740 -0.000 0.000 0.181 198 N C -0.333 175.195 175.510 0.031 0.000 1.078 198 N CA 0.273 53.324 53.050 0.001 0.000 0.902 198 N CB -0.096 38.370 38.487 -0.036 0.000 0.970 198 N HN 0.183 nan 8.380 nan 0.000 0.451 199 Y N 2.862 123.075 120.300 -0.145 0.000 2.650 199 Y HA 0.257 4.807 4.550 -0.000 0.000 0.342 199 Y C 0.440 176.228 175.900 -0.188 0.000 1.110 199 Y CA -1.532 56.440 58.100 -0.214 0.000 1.438 199 Y CB -0.596 37.674 38.460 -0.316 0.000 1.181 199 Y HN -0.033 nan 8.280 nan 0.000 0.526 200 A N 6.118 129.046 122.820 0.179 0.000 2.406 200 A HA 0.216 4.535 4.320 -0.000 0.000 0.243 200 A C -0.764 176.910 177.584 0.150 0.000 1.082 200 A CA -0.400 51.706 52.037 0.115 0.000 0.786 200 A CB 0.206 19.211 19.000 0.008 0.000 1.029 200 A HN 0.874 nan 8.150 nan 0.000 0.495 201 W N 0.331 121.692 121.300 0.100 0.000 2.365 201 W HA 0.502 5.162 4.660 -0.000 0.000 0.316 201 W C 0.823 177.059 176.519 -0.471 0.000 1.164 201 W CA 0.151 57.354 57.345 -0.237 0.000 1.204 201 W CB 1.422 30.567 29.460 -0.526 0.000 1.213 201 W HN 0.943 nan 8.180 nan 0.000 0.539 202 G N 1.627 110.242 108.800 -0.309 0.000 2.476 202 G HA2 0.471 4.431 3.960 -0.000 0.000 0.286 202 G HA3 0.471 4.431 3.960 -0.000 0.000 0.286 202 G C -2.066 172.466 174.900 -0.613 0.000 1.177 202 G CA -0.404 44.217 45.100 -0.798 0.000 0.870 202 G HN 0.437 nan 8.290 nan 0.000 0.528 203 Y N -0.226 119.992 120.300 -0.137 0.000 2.338 203 Y HA 0.532 5.082 4.550 -0.000 0.000 0.333 203 Y C 0.414 176.307 175.900 -0.012 0.000 0.968 203 Y CA -0.796 57.278 58.100 -0.044 0.000 1.123 203 Y CB 2.234 40.677 38.460 -0.029 0.000 1.165 203 Y HN 0.515 nan 8.280 nan 0.000 0.452 204 R N 2.878 123.444 120.500 0.111 0.000 2.502 204 R HA 0.290 4.630 4.340 -0.000 0.000 0.300 204 R C -0.574 175.770 176.300 0.072 0.000 0.984 204 R CA -0.342 55.809 56.100 0.086 0.000 0.882 204 R CB 0.820 31.158 30.300 0.063 0.000 1.180 204 R HN 0.789 nan 8.270 nan 0.000 0.444 205 E N 2.616 122.856 120.200 0.066 0.000 2.539 205 E HA -0.248 4.102 4.350 -0.000 0.000 0.253 205 E C 0.491 177.119 176.600 0.047 0.000 1.145 205 E CA 1.333 57.761 56.400 0.046 0.000 0.738 205 E CB -1.377 28.342 29.700 0.032 0.000 1.308 205 E HN 1.188 nan 8.360 nan 0.000 0.409 206 G N -0.696 108.149 108.800 0.075 0.000 2.179 206 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.260 206 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.260 206 G C 0.121 175.086 174.900 0.108 0.000 0.977 206 G CA 0.768 45.914 45.100 0.077 0.000 0.641 206 G HN 0.118 nan 8.290 nan 0.000 0.533 207 K N 0.578 121.032 120.400 0.091 0.000 2.206 207 K HA 0.740 5.060 4.320 -0.000 0.000 0.264 207 K C 0.411 176.971 176.600 -0.067 0.000 0.967 207 K CA -0.011 56.282 56.287 0.010 0.000 0.844 207 K CB 1.697 34.179 32.500 -0.030 0.000 1.099 207 K HN 0.639 nan 8.250 nan 0.000 0.441 208 A N 2.637 125.307 122.820 -0.249 0.000 2.451 208 A HA 0.396 4.716 4.320 -0.000 0.000 0.266 208 A C 0.190 177.540 177.584 -0.391 0.000 1.119 208 A CA -0.344 51.323 52.037 -0.616 0.000 0.786 208 A CB -0.241 18.178 19.000 -0.968 0.000 1.061 208 A HN 0.495 nan 8.150 nan 0.000 0.503 209 V N 1.076 120.903 119.914 -0.145 0.000 3.007 209 V HA 0.709 4.829 4.120 -0.000 0.000 0.311 209 V C -0.666 175.564 176.094 0.227 0.000 1.120 209 V CA -0.851 61.493 62.300 0.074 0.000 0.980 209 V CB 1.312 33.172 31.823 0.061 0.000 1.033 209 V HN 0.953 nan 8.190 nan 0.000 0.429 210 H N 0.494 119.723 119.070 0.265 0.000 2.731 210 H HA 0.671 5.227 4.556 -0.000 0.000 0.368 210 H C -0.552 174.879 175.328 0.170 0.000 1.168 210 H CA -1.004 55.133 56.048 0.148 0.000 1.181 210 H CB 2.308 32.005 29.762 -0.108 0.000 1.743 210 H HN 0.788 nan 8.280 nan 0.000 0.547 211 V N 3.005 123.115 119.914 0.327 0.000 2.599 211 V HA -0.007 4.113 4.120 -0.000 0.000 0.300 211 V C 0.082 176.303 176.094 0.212 0.000 1.034 211 V CA 0.141 62.590 62.300 0.250 0.000 1.115 211 V CB 0.314 32.289 31.823 0.254 0.000 0.934 211 V HN 0.846 nan 8.190 nan 0.000 0.485 212 S N 7.563 123.372 115.700 0.181 0.000 2.601 212 S HA 0.598 5.068 4.470 -0.000 0.000 0.271 212 S C -2.408 172.288 174.600 0.160 0.000 1.305 212 S CA -1.140 57.148 58.200 0.147 0.000 1.022 212 S CB 0.950 64.216 63.200 0.110 0.000 0.940 212 S HN 0.767 nan 8.310 nan 0.000 0.525 213 P HA 0.578 nan 4.420 nan 0.000 0.272 213 P C 0.080 177.437 177.300 0.096 0.000 1.223 213 P CA -0.161 62.993 63.100 0.089 0.000 0.784 213 P CB 0.535 32.265 31.700 0.051 0.000 0.923 214 G N -0.499 108.349 108.800 0.080 0.000 2.623 214 G HA2 0.553 4.513 3.960 -0.000 0.000 0.290 214 G HA3 0.553 4.513 3.960 -0.000 0.000 0.290 214 G C -1.555 173.352 174.900 0.011 0.000 1.437 214 G CA -0.522 44.625 45.100 0.079 0.000 0.798 214 G HN 0.512 nan 8.290 nan 0.000 0.488 215 A N -0.027 122.792 122.820 -0.002 0.000 2.492 215 A HA 0.554 4.874 4.320 -0.000 0.000 0.254 215 A C 1.312 178.864 177.584 -0.053 0.000 1.091 215 A CA 0.394 52.411 52.037 -0.034 0.000 0.768 215 A CB -0.544 18.430 19.000 -0.044 0.000 1.028 215 A HN 1.722 nan 8.150 nan 0.000 0.498 216 L N 0.783 121.939 121.223 -0.112 0.000 4.001 216 L HA -0.317 4.023 4.340 -0.000 0.000 0.413 216 L C 1.168 177.842 176.870 -0.325 0.000 1.185 216 L CA 0.609 55.332 54.840 -0.194 0.000 0.963 216 L CB -1.805 40.193 42.059 -0.103 0.000 1.976 216 L HN 0.989 nan 8.230 nan 0.000 0.939 217 D N 0.291 120.447 120.400 -0.406 0.000 2.117 217 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 217 D C 1.969 177.827 176.300 -0.738 0.000 0.987 217 D CA 1.449 54.900 54.000 -0.914 0.000 0.829 217 D CB -0.104 40.322 40.800 -0.623 0.000 0.961 217 D HN 0.444 nan 8.370 nan 0.000 0.460 218 A N 0.710 123.290 122.820 -0.400 0.000 1.940 218 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 218 A C 2.112 179.540 177.584 -0.260 0.000 1.176 218 A CA 1.949 53.854 52.037 -0.221 0.000 0.631 218 A CB -0.669 18.300 19.000 -0.051 0.000 0.814 218 A HN 0.228 nan 8.150 nan 0.000 0.446 219 E N -0.467 119.376 120.200 -0.593 0.000 2.107 219 E HA 0.122 4.472 4.350 -0.000 0.000 0.191 219 E C 2.054 178.509 176.600 -0.243 0.000 0.982 219 E CA 1.238 57.205 56.400 -0.721 0.000 0.809 219 E CB -0.227 28.954 29.700 -0.865 0.000 0.756 219 E HN 0.596 nan 8.360 nan 0.000 0.459 220 A N -0.342 122.342 122.820 -0.226 0.000 1.973 220 A HA 0.076 4.396 4.320 -0.000 0.000 0.210 220 A C 0.912 178.579 177.584 0.139 0.000 1.200 220 A CA 0.785 52.821 52.037 -0.002 0.000 0.707 220 A CB -0.007 19.066 19.000 0.121 0.000 0.862 220 A HN 0.423 nan 8.150 nan 0.000 0.461 221 Y N -4.310 116.009 120.300 0.031 0.000 2.998 221 Y HA 0.466 5.016 4.550 -0.000 0.000 0.264 221 Y C 0.884 176.807 175.900 0.038 0.000 1.092 221 Y CA -0.355 57.777 58.100 0.054 0.000 1.247 221 Y CB -0.399 38.098 38.460 0.061 0.000 1.283 221 Y HN 0.006 nan 8.280 nan 0.000 0.605 222 G N 0.717 109.446 108.800 -0.118 0.000 3.126 222 G HA2 0.332 4.292 3.960 -0.000 0.000 0.224 222 G HA3 0.332 4.292 3.960 -0.000 0.000 0.224 222 G C -0.183 174.687 174.900 -0.050 0.000 1.142 222 G CA 0.126 45.166 45.100 -0.100 0.000 0.759 222 G HN 0.108 nan 8.290 nan 0.000 0.550 223 V N 0.854 120.743 119.914 -0.043 0.000 2.583 223 V HA 0.373 4.493 4.120 -0.000 0.000 0.287 223 V C -0.207 175.792 176.094 -0.158 0.000 1.051 223 V CA -0.375 61.849 62.300 -0.127 0.000 1.010 223 V CB 1.243 32.925 31.823 -0.236 0.000 0.988 223 V HN 0.139 nan 8.190 nan 0.000 0.478 224 K N 2.569 122.835 120.400 -0.223 0.000 2.203 224 K HA 0.828 5.148 4.320 -0.000 0.000 0.251 224 K C -0.426 176.028 176.600 -0.244 0.000 0.944 224 K CA -0.280 55.858 56.287 -0.248 0.000 0.829 224 K CB 1.995 34.252 32.500 -0.404 0.000 1.125 224 K HN 0.712 nan 8.250 nan 0.000 0.430 225 S N -0.207 115.411 115.700 -0.137 0.000 2.611 225 S HA 0.566 5.036 4.470 -0.000 0.000 0.268 225 S C -1.315 173.327 174.600 0.070 0.000 1.156 225 S CA -0.740 57.392 58.200 -0.115 0.000 0.817 225 S CB 0.897 63.989 63.200 -0.180 0.000 1.122 225 S HN 0.703 nan 8.310 nan 0.000 0.466 226 T N 0.244 114.839 114.554 0.067 0.000 2.927 226 T HA 0.534 4.884 4.350 -0.000 0.000 0.281 226 T C 1.279 176.070 174.700 0.152 0.000 0.998 226 T CA -0.528 61.662 62.100 0.150 0.000 1.019 226 T CB 0.838 69.745 68.868 0.066 0.000 1.061 226 T HN 0.454 nan 8.240 nan 0.000 0.518 227 I N 0.781 121.453 120.570 0.171 0.000 2.361 227 I HA -0.066 4.104 4.170 -0.000 0.000 0.251 227 I C 2.335 178.588 176.117 0.226 0.000 1.133 227 I CA 1.516 62.927 61.300 0.186 0.000 1.413 227 I CB -0.556 37.573 38.000 0.215 0.000 1.073 227 I HN 0.814 nan 8.210 nan 0.000 0.424 228 E N -0.132 120.103 120.200 0.058 0.000 2.072 228 E HA -0.201 4.149 4.350 -0.000 0.000 0.190 228 E C 1.707 178.397 176.600 0.150 0.000 0.982 228 E CA 1.336 57.777 56.400 0.069 0.000 0.803 228 E CB -0.177 29.445 29.700 -0.132 0.000 0.755 228 E HN 0.475 nan 8.360 nan 0.000 0.453 229 D N 0.328 120.788 120.400 0.099 0.000 2.144 229 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 229 D C 1.834 178.248 176.300 0.190 0.000 0.984 229 D CA 0.968 55.021 54.000 0.088 0.000 0.834 229 D CB -0.014 40.767 40.800 -0.032 0.000 0.955 229 D HN 0.064 nan 8.370 nan 0.000 0.465 230 M N 0.243 119.971 119.600 0.214 0.000 2.229 230 M HA 0.022 4.502 4.480 -0.000 0.000 0.264 230 M C 2.211 178.694 176.300 0.304 0.000 1.063 230 M CA 0.650 56.137 55.300 0.312 0.000 1.114 230 M CB -1.086 31.672 32.600 0.263 0.000 1.387 230 M HN -0.019 nan 8.290 nan 0.000 0.420 231 A N -0.177 122.798 122.820 0.258 0.000 1.933 231 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 231 A C 2.402 180.059 177.584 0.123 0.000 1.175 231 A CA 1.752 53.901 52.037 0.187 0.000 0.628 231 A CB -0.662 18.481 19.000 0.239 0.000 0.814 231 A HN 0.452 nan 8.150 nan 0.000 0.444 232 R N -1.396 119.201 120.500 0.162 0.000 2.092 232 R HA -0.144 4.196 4.340 -0.000 0.000 0.231 232 R C 2.125 178.517 176.300 0.154 0.000 1.119 232 R CA 1.321 57.494 56.100 0.121 0.000 0.970 232 R CB -0.342 30.033 30.300 0.126 0.000 0.864 232 R HN 0.842 nan 8.270 nan 0.000 0.440 233 W N 0.494 121.816 121.300 0.038 0.000 2.358 233 W HA -0.199 4.461 4.660 0.000 0.000 0.303 233 W C 1.325 177.792 176.519 -0.087 0.000 1.208 233 W CA 1.228 58.589 57.345 0.027 0.000 1.274 233 W CB -0.033 29.494 29.460 0.112 0.000 1.138 233 W HN -0.043 nan 8.180 nan 0.000 0.515 234 V N 1.017 120.838 119.914 -0.155 0.000 2.358 234 V HA -0.328 3.792 4.120 -0.000 0.000 0.246 234 V C 2.372 178.124 176.094 -0.570 0.000 1.047 234 V CA 2.388 64.405 62.300 -0.473 0.000 1.035 234 V CB -1.127 30.555 31.823 -0.234 0.000 0.658 234 V HN 0.151 nan 8.190 nan 0.000 0.452 235 Q N 0.697 120.310 119.800 -0.310 0.000 2.061 235 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 235 Q C 2.336 178.147 176.000 -0.316 0.000 0.984 235 Q CA 2.391 58.029 55.803 -0.275 0.000 0.846 235 Q CB -0.574 28.076 28.738 -0.146 0.000 0.902 235 Q HN 0.624 nan 8.270 nan 0.000 0.421 236 S N 0.655 116.184 115.700 -0.285 0.000 2.370 236 S HA -0.127 4.343 4.470 -0.000 0.000 0.226 236 S C 1.581 175.919 174.600 -0.436 0.000 1.033 236 S CA 1.360 59.393 58.200 -0.279 0.000 1.011 236 S CB -0.389 62.704 63.200 -0.178 0.000 0.852 236 S HN 0.492 nan 8.310 nan 0.000 0.457 237 N N 0.965 119.234 118.700 -0.717 0.000 2.354 237 N HA 0.127 4.867 4.740 -0.000 0.000 0.179 237 N C 1.614 176.636 175.510 -0.814 0.000 1.021 237 N CA 0.495 53.032 53.050 -0.856 0.000 0.887 237 N CB -0.153 37.565 38.487 -1.282 0.000 0.974 237 N HN 0.337 nan 8.380 nan 0.000 0.437 238 L N 0.506 121.251 121.223 -0.797 0.000 2.072 238 L HA -0.029 4.311 4.340 -0.000 0.000 0.205 238 L C 0.722 177.418 176.870 -0.290 0.000 1.079 238 L CA 1.159 55.697 54.840 -0.503 0.000 0.752 238 L CB 0.089 41.895 42.059 -0.420 0.000 0.906 238 L HN -0.083 nan 8.230 nan 0.000 0.436 239 K N -0.540 119.700 120.400 -0.267 0.000 2.753 239 K HA 0.197 4.517 4.320 -0.000 0.000 0.185 239 K C -1.885 174.620 176.600 -0.158 0.000 1.071 239 K CA -1.190 54.989 56.287 -0.179 0.000 0.999 239 K CB 1.424 33.836 32.500 -0.147 0.000 1.244 239 K HN -0.121 nan 8.250 nan 0.000 0.594 240 P HA -0.132 nan 4.420 nan 0.000 0.223 240 P C 1.025 178.277 177.300 -0.079 0.000 1.151 240 P CA 0.826 63.855 63.100 -0.119 0.000 0.787 240 P CB 0.293 31.927 31.700 -0.110 0.000 0.788 241 L N -0.283 120.896 121.223 -0.074 0.000 2.275 241 L HA -0.092 4.248 4.340 -0.000 0.000 0.215 241 L C 1.582 178.422 176.870 -0.051 0.000 1.119 241 L CA 1.228 56.035 54.840 -0.055 0.000 0.790 241 L CB -0.951 41.077 42.059 -0.053 0.000 0.919 241 L HN -0.074 nan 8.230 nan 0.000 0.443 242 D N 0.298 120.661 120.400 -0.060 0.000 2.363 242 D HA 0.082 4.721 4.640 -0.000 0.000 0.220 242 D C 0.800 177.075 176.300 -0.042 0.000 0.994 242 D CA 0.573 54.542 54.000 -0.052 0.000 0.890 242 D CB 0.022 40.785 40.800 -0.061 0.000 0.906 242 D HN 0.245 nan 8.370 nan 0.000 0.530 243 I N 1.590 122.135 120.570 -0.042 0.000 2.496 243 I HA -0.024 4.146 4.170 -0.000 0.000 0.285 243 I C 1.423 177.529 176.117 -0.019 0.000 1.080 243 I CA -0.348 60.936 61.300 -0.026 0.000 1.404 243 I CB 0.791 38.778 38.000 -0.022 0.000 1.403 243 I HN -0.196 nan 8.210 nan 0.000 0.539 244 N N 3.879 122.571 118.700 -0.013 0.000 2.135 244 N HA -0.076 4.664 4.740 -0.000 0.000 0.186 244 N C 0.309 175.814 175.510 -0.008 0.000 1.027 244 N CA 0.896 53.939 53.050 -0.012 0.000 0.849 244 N CB 0.025 38.506 38.487 -0.010 0.000 1.002 244 N HN 0.522 nan 8.380 nan 0.000 0.425 245 E N 1.918 122.116 120.200 -0.004 0.000 2.406 245 E HA -0.032 4.318 4.350 -0.000 0.000 0.258 245 E C 0.743 177.342 176.600 -0.001 0.000 1.043 245 E CA 0.241 56.640 56.400 -0.002 0.000 0.929 245 E CB 0.696 30.397 29.700 0.003 0.000 0.969 245 E HN 0.278 nan 8.360 nan 0.000 0.462 246 K N 1.092 121.490 120.400 -0.004 0.000 2.103 246 K HA -0.106 4.214 4.320 -0.000 0.000 0.204 246 K C 2.029 178.630 176.600 0.002 0.000 1.052 246 K CA 1.657 57.942 56.287 -0.003 0.000 0.945 246 K CB 0.011 32.508 32.500 -0.005 0.000 0.722 246 K HN 0.529 nan 8.250 nan 0.000 0.443 247 T N -0.033 114.523 114.554 0.004 0.000 2.904 247 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 247 T C 1.864 176.575 174.700 0.019 0.000 1.059 247 T CA 0.515 62.621 62.100 0.010 0.000 1.137 247 T CB -0.145 68.725 68.868 0.004 0.000 0.879 247 T HN 0.006 nan 8.240 nan 0.000 0.467 248 L N 1.363 122.597 121.223 0.019 0.000 2.056 248 L HA 0.076 4.416 4.340 -0.000 0.000 0.207 248 L C 2.846 179.735 176.870 0.032 0.000 1.078 248 L CA 1.902 56.764 54.840 0.037 0.000 0.749 248 L CB -1.058 41.026 42.059 0.041 0.000 0.901 248 L HN 0.410 nan 8.230 nan 0.000 0.433 249 Q N -0.839 118.968 119.800 0.012 0.000 2.077 249 Q HA -0.308 4.032 4.340 -0.000 0.000 0.206 249 Q C 2.148 178.149 176.000 0.001 0.000 0.989 249 Q CA 2.457 58.257 55.803 -0.005 0.000 0.853 249 Q CB -0.201 28.529 28.738 -0.014 0.000 0.907 249 Q HN 0.678 nan 8.270 nan 0.000 0.418 250 Q N -0.696 119.111 119.800 0.012 0.000 2.119 250 Q HA -0.086 4.254 4.340 -0.000 0.000 0.201 250 Q C 2.100 178.127 176.000 0.045 0.000 0.972 250 Q CA 1.111 56.926 55.803 0.021 0.000 0.847 250 Q CB -0.216 28.535 28.738 0.022 0.000 0.903 250 Q HN 0.594 nan 8.270 nan 0.000 0.433 251 G N 1.011 109.846 108.800 0.058 0.000 2.422 251 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 251 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 251 G C 1.405 176.376 174.900 0.119 0.000 1.146 251 G CA 0.581 45.737 45.100 0.093 0.000 0.769 251 G HN 0.218 nan 8.290 nan 0.000 0.547 252 I N 0.236 120.859 120.570 0.087 0.000 2.226 252 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 252 I C 3.050 179.204 176.117 0.062 0.000 1.100 252 I CA 1.236 62.580 61.300 0.073 0.000 1.374 252 I CB -0.241 37.744 38.000 -0.026 0.000 1.057 252 I HN 0.237 nan 8.210 nan 0.000 0.413 253 Q N 0.431 120.248 119.800 0.029 0.000 2.050 253 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 253 Q C 2.378 178.411 176.000 0.056 0.000 0.980 253 Q CA 1.428 57.240 55.803 0.015 0.000 0.840 253 Q CB -0.185 28.549 28.738 -0.006 0.000 0.898 253 Q HN 0.512 nan 8.270 nan 0.000 0.424 254 L N 0.103 121.384 121.223 0.096 0.000 2.083 254 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 254 L C 2.418 179.448 176.870 0.265 0.000 1.083 254 L CA 0.892 55.829 54.840 0.162 0.000 0.752 254 L CB -0.551 41.613 42.059 0.174 0.000 0.899 254 L HN 0.236 nan 8.230 nan 0.000 0.433 255 A N -0.774 122.201 122.820 0.258 0.000 2.015 255 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 255 A C 2.053 179.870 177.584 0.388 0.000 1.163 255 A CA 1.101 53.347 52.037 0.349 0.000 0.646 255 A CB -0.232 19.007 19.000 0.398 0.000 0.806 255 A HN 0.507 nan 8.150 nan 0.000 0.448 256 Q N 0.135 120.076 119.800 0.235 0.000 2.319 256 Q HA 0.168 4.508 4.340 -0.000 0.000 0.202 256 Q C -0.127 175.899 176.000 0.042 0.000 0.896 256 Q CA -0.261 55.617 55.803 0.125 0.000 0.942 256 Q CB 0.350 29.081 28.738 -0.012 0.000 1.083 256 Q HN 0.490 nan 8.270 nan 0.000 0.510 257 S N 1.174 116.880 115.700 0.010 0.000 2.576 257 S HA 0.208 4.677 4.470 -0.000 0.000 0.276 257 S C 0.102 174.515 174.600 -0.312 0.000 1.339 257 S CA -0.221 57.833 58.200 -0.244 0.000 1.039 257 S CB 0.596 63.507 63.200 -0.483 0.000 0.902 257 S HN 0.227 nan 8.310 nan 0.000 0.516 258 R N 1.826 122.119 120.500 -0.345 0.000 2.235 258 R HA 0.213 4.553 4.340 -0.000 0.000 0.338 258 R C -0.324 175.819 176.300 -0.262 0.000 1.087 258 R CA -0.096 55.901 56.100 -0.171 0.000 0.948 258 R CB 0.196 30.379 30.300 -0.195 0.000 1.099 258 R HN 0.696 nan 8.270 nan 0.000 0.483 259 Y N 0.478 120.767 120.300 -0.019 0.000 2.436 259 Y HA 0.093 4.643 4.550 -0.000 0.000 0.288 259 Y C 0.261 175.856 175.900 -0.509 0.000 1.112 259 Y CA 0.439 58.360 58.100 -0.298 0.000 1.220 259 Y CB 0.458 38.723 38.460 -0.325 0.000 1.073 259 Y HN 0.436 nan 8.280 nan 0.000 0.552 260 W N -0.184 121.287 121.300 0.285 0.000 3.033 260 W HA 0.559 5.219 4.660 0.000 0.000 0.336 260 W C -0.836 175.811 176.519 0.212 0.000 1.173 260 W CA -0.964 56.508 57.345 0.212 0.000 1.185 260 W CB 1.249 30.816 29.460 0.177 0.000 1.425 260 W HN -0.448 nan 8.180 nan 0.000 0.536 261 Q N 1.033 121.066 119.800 0.389 0.000 2.353 261 Q HA 0.687 5.027 4.340 -0.000 0.000 0.268 261 Q C -1.198 174.841 176.000 0.065 0.000 1.045 261 Q CA -0.406 55.471 55.803 0.124 0.000 0.811 261 Q CB 2.096 30.889 28.738 0.090 0.000 1.305 261 Q HN 0.456 nan 8.270 nan 0.000 0.447 262 T N 3.195 117.719 114.554 -0.051 0.000 3.008 262 T HA 0.534 4.883 4.350 -0.000 0.000 0.328 262 T C 0.129 174.771 174.700 -0.097 0.000 1.020 262 T CA 0.191 62.265 62.100 -0.044 0.000 1.043 262 T CB 0.968 69.826 68.868 -0.017 0.000 1.010 262 T HN 1.023 nan 8.240 nan 0.000 0.466 263 G N 4.481 113.226 108.800 -0.092 0.000 2.574 263 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.301 263 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.301 263 G C 0.616 175.419 174.900 -0.161 0.000 1.166 263 G CA 0.670 45.712 45.100 -0.097 0.000 0.971 263 G HN 0.740 nan 8.290 nan 0.000 0.542 264 D N 0.384 120.692 120.400 -0.155 0.000 2.349 264 D HA 0.226 4.866 4.640 -0.000 0.000 0.214 264 D C 1.304 177.431 176.300 -0.288 0.000 1.063 264 D CA 0.451 54.343 54.000 -0.179 0.000 0.847 264 D CB 0.030 40.783 40.800 -0.078 0.000 0.933 264 D HN 0.531 nan 8.370 nan 0.000 0.513 265 M N 0.870 120.304 119.600 -0.277 0.000 2.318 265 M HA 0.339 4.818 4.480 -0.000 0.000 0.347 265 M C -1.604 174.499 176.300 -0.328 0.000 1.175 265 M CA -0.471 54.737 55.300 -0.153 0.000 1.075 265 M CB 1.207 33.819 32.600 0.020 0.000 1.614 265 M HN -0.190 nan 8.290 nan 0.000 0.456 266 Y N 2.068 122.481 120.300 0.188 0.000 2.393 266 Y HA 0.386 4.935 4.550 -0.000 0.000 0.341 266 Y C -0.272 175.787 175.900 0.266 0.000 0.988 266 Y CA -0.736 57.487 58.100 0.205 0.000 1.078 266 Y CB 1.514 40.064 38.460 0.150 0.000 1.203 266 Y HN 0.555 nan 8.280 nan 0.000 0.453 267 Q N 1.872 121.950 119.800 0.464 0.000 2.303 267 Q HA 0.602 4.942 4.340 -0.000 0.000 0.257 267 Q C -0.085 176.205 176.000 0.484 0.000 0.941 267 Q CA -0.286 55.789 55.803 0.454 0.000 0.931 267 Q CB 1.301 30.322 28.738 0.471 0.000 1.215 267 Q HN 0.900 nan 8.270 nan 0.000 0.437 268 G N 2.677 111.736 108.800 0.432 0.000 2.736 268 G HA2 0.485 4.444 3.960 -0.000 0.000 0.229 268 G HA3 0.485 4.444 3.960 -0.000 0.000 0.229 268 G C -0.908 174.165 174.900 0.288 0.000 1.380 268 G CA -0.868 44.511 45.100 0.465 0.000 1.040 268 G HN 0.602 nan 8.290 nan 0.000 0.568 269 L N 1.285 122.655 121.223 0.244 0.000 2.302 269 L HA 0.428 4.768 4.340 -0.000 0.000 0.285 269 L C 1.458 178.387 176.870 0.099 0.000 1.090 269 L CA 0.452 55.319 54.840 0.045 0.000 0.866 269 L CB 0.242 42.321 42.059 0.033 0.000 1.244 269 L HN 1.045 nan 8.230 nan 0.000 0.435 270 G N 2.111 110.936 108.800 0.042 0.000 4.039 270 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 270 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 270 G C 0.025 174.965 174.900 0.065 0.000 1.391 270 G CA -0.161 44.953 45.100 0.023 0.000 0.920 270 G HN 0.529 nan 8.290 nan 0.000 0.599 271 W N 2.427 123.852 121.300 0.208 0.000 2.158 271 W HA 0.559 5.219 4.660 -0.000 0.000 0.339 271 W C 0.813 177.465 176.519 0.221 0.000 1.294 271 W CA -0.169 57.291 57.345 0.191 0.000 1.231 271 W CB 0.401 29.954 29.460 0.155 0.000 1.143 271 W HN 0.328 nan 8.180 nan 0.000 0.571 272 E N 1.844 122.367 120.200 0.538 0.000 2.227 272 E HA 0.588 4.938 4.350 -0.000 0.000 0.268 272 E C -0.828 176.070 176.600 0.497 0.000 0.907 272 E CA -1.137 55.550 56.400 0.478 0.000 0.786 272 E CB 1.723 31.678 29.700 0.424 0.000 1.191 272 E HN 0.190 nan 8.360 nan 0.000 0.411 273 M N 1.988 121.842 119.600 0.422 0.000 2.501 273 M HA 0.463 4.943 4.480 -0.000 0.000 0.293 273 M C -1.566 174.984 176.300 0.416 0.000 1.192 273 M CA -0.371 55.130 55.300 0.335 0.000 0.886 273 M CB 1.749 34.481 32.600 0.221 0.000 1.710 273 M HN 0.294 nan 8.290 nan 0.000 0.457 274 L N 0.533 121.973 121.223 0.362 0.000 2.350 274 L HA 0.556 4.896 4.340 -0.000 0.000 0.260 274 L C -0.740 176.329 176.870 0.332 0.000 1.015 274 L CA -0.696 54.366 54.840 0.369 0.000 0.821 274 L CB 1.801 43.990 42.059 0.216 0.000 1.370 274 L HN 0.565 nan 8.230 nan 0.000 0.416 275 D N 0.923 121.509 120.400 0.310 0.000 2.458 275 D HA -0.053 4.587 4.640 -0.000 0.000 0.243 275 D C -0.802 175.652 176.300 0.257 0.000 1.146 275 D CA 0.269 54.403 54.000 0.224 0.000 0.877 275 D CB 1.007 41.906 40.800 0.166 0.000 1.176 275 D HN 0.353 nan 8.370 nan 0.000 0.461 276 W N 4.548 125.911 121.300 0.105 0.000 2.365 276 W HA 0.234 4.893 4.660 -0.000 0.000 0.316 276 W C -2.220 174.348 176.519 0.082 0.000 1.164 276 W CA -1.829 55.589 57.345 0.122 0.000 1.204 276 W CB 1.069 30.611 29.460 0.136 0.000 1.213 276 W HN 0.224 nan 8.180 nan 0.000 0.539 277 P HA 0.090 nan 4.420 nan 0.000 0.271 277 P C -0.437 176.532 177.300 -0.551 0.000 1.218 277 P CA 0.041 62.377 63.100 -1.274 0.000 0.780 277 P CB 1.363 32.495 31.700 -0.946 0.000 0.901 278 V N -0.381 119.229 119.914 -0.506 0.000 2.713 278 V HA 0.488 4.607 4.120 -0.000 0.000 0.307 278 V C 0.161 176.065 176.094 -0.316 0.000 1.052 278 V CA -1.112 61.039 62.300 -0.249 0.000 0.967 278 V CB 1.288 32.992 31.823 -0.197 0.000 1.019 278 V HN 0.482 nan 8.190 nan 0.000 0.459 279 N N 4.561 123.079 118.700 -0.304 0.000 2.420 279 N HA 0.370 5.110 4.740 -0.000 0.000 0.262 279 N C -1.273 173.906 175.510 -0.550 0.000 1.144 279 N CA -1.940 50.891 53.050 -0.365 0.000 0.952 279 N CB 1.281 39.614 38.487 -0.256 0.000 1.081 279 N HN 0.534 nan 8.380 nan 0.000 0.480 280 P HA -0.126 nan 4.420 nan 0.000 0.215 280 P C 0.290 177.218 177.300 -0.620 0.000 1.157 280 P CA 1.211 63.620 63.100 -1.153 0.000 0.868 280 P CB 0.347 30.975 31.700 -1.787 0.000 0.788 281 D N -0.458 119.663 120.400 -0.464 0.000 2.218 281 D HA -0.114 4.526 4.640 -0.000 0.000 0.204 281 D C 2.162 178.325 176.300 -0.228 0.000 0.976 281 D CA 1.074 54.901 54.000 -0.289 0.000 0.853 281 D CB -0.439 40.225 40.800 -0.225 0.000 0.939 281 D HN 0.182 nan 8.370 nan 0.000 0.481 282 S N 0.778 116.331 115.700 -0.244 0.000 2.338 282 S HA -0.125 4.345 4.470 -0.000 0.000 0.218 282 S C 2.227 176.735 174.600 -0.155 0.000 1.032 282 S CA 1.155 59.248 58.200 -0.179 0.000 0.999 282 S CB -0.249 62.846 63.200 -0.175 0.000 0.905 282 S HN 0.397 nan 8.310 nan 0.000 0.439 283 I N -0.830 119.613 120.570 -0.211 0.000 2.439 283 I HA -0.005 4.165 4.170 -0.000 0.000 0.251 283 I C 2.170 178.239 176.117 -0.080 0.000 1.139 283 I CA 1.207 62.427 61.300 -0.133 0.000 1.438 283 I CB -0.533 37.309 38.000 -0.262 0.000 1.085 283 I HN 0.266 nan 8.210 nan 0.000 0.427 284 I N 2.016 122.491 120.570 -0.158 0.000 2.133 284 I HA -0.241 3.929 4.170 -0.000 0.000 0.238 284 I C 2.388 178.456 176.117 -0.083 0.000 1.074 284 I CA 1.513 62.743 61.300 -0.116 0.000 1.342 284 I CB -0.629 37.278 38.000 -0.155 0.000 1.053 284 I HN 0.284 nan 8.210 nan 0.000 0.404 285 N N 1.026 119.669 118.700 -0.095 0.000 2.223 285 N HA -0.114 4.626 4.740 -0.000 0.000 0.185 285 N C 1.852 177.330 175.510 -0.054 0.000 1.016 285 N CA 1.522 54.529 53.050 -0.072 0.000 0.863 285 N CB -0.552 37.887 38.487 -0.079 0.000 0.983 285 N HN 0.447 nan 8.380 nan 0.000 0.429 286 G N 0.563 109.335 108.800 -0.048 0.000 2.443 286 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 286 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 286 G C 1.620 176.516 174.900 -0.008 0.000 1.131 286 G CA 1.161 46.248 45.100 -0.022 0.000 0.775 286 G HN 0.496 nan 8.290 nan 0.000 0.547 287 S N -0.179 115.520 115.700 -0.001 0.000 2.522 287 S HA 0.019 4.489 4.470 -0.000 0.000 0.227 287 S C 0.671 175.242 174.600 -0.048 0.000 0.986 287 S CA 0.327 58.522 58.200 -0.009 0.000 0.929 287 S CB -0.055 63.147 63.200 0.003 0.000 0.769 287 S HN 0.324 nan 8.310 nan 0.000 0.529 288 D N 1.837 122.210 120.400 -0.045 0.000 2.458 288 D HA 0.169 4.809 4.640 -0.000 0.000 0.243 288 D C 0.965 177.236 176.300 -0.049 0.000 1.146 288 D CA 0.006 53.979 54.000 -0.045 0.000 0.877 288 D CB 0.462 41.240 40.800 -0.037 0.000 1.176 288 D HN -0.026 nan 8.370 nan 0.000 0.461 289 N N 2.826 121.499 118.700 -0.046 0.000 2.272 289 N HA -0.193 4.547 4.740 -0.000 0.000 0.185 289 N C 1.459 176.952 175.510 -0.027 0.000 1.014 289 N CA 0.853 53.877 53.050 -0.044 0.000 0.870 289 N CB -0.182 38.289 38.487 -0.027 0.000 0.975 289 N HN 0.632 nan 8.380 nan 0.000 0.433 290 K N 0.471 120.859 120.400 -0.020 0.000 2.209 290 K HA -0.050 4.270 4.320 -0.000 0.000 0.204 290 K C 1.622 178.212 176.600 -0.015 0.000 1.048 290 K CA 1.083 57.363 56.287 -0.011 0.000 0.940 290 K CB -0.050 32.444 32.500 -0.010 0.000 0.729 290 K HN 0.177 nan 8.250 nan 0.000 0.451 291 I N 0.705 121.259 120.570 -0.028 0.000 2.729 291 I HA 0.025 4.194 4.170 -0.000 0.000 0.256 291 I C 2.547 178.638 176.117 -0.043 0.000 1.115 291 I CA 0.539 61.820 61.300 -0.032 0.000 1.446 291 I CB -0.199 37.780 38.000 -0.035 0.000 1.176 291 I HN 0.217 nan 8.210 nan 0.000 0.446 292 A N 1.184 123.964 122.820 -0.067 0.000 1.972 292 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 292 A C 2.054 179.560 177.584 -0.130 0.000 1.169 292 A CA 1.349 53.312 52.037 -0.123 0.000 0.635 292 A CB -0.646 18.244 19.000 -0.184 0.000 0.810 292 A HN 0.437 nan 8.150 nan 0.000 0.446 293 L N -1.022 120.164 121.223 -0.061 0.000 2.628 293 L HA 0.322 4.662 4.340 -0.000 0.000 0.229 293 L C 0.876 177.770 176.870 0.041 0.000 1.137 293 L CA -0.094 54.754 54.840 0.014 0.000 0.909 293 L CB -0.228 41.853 42.059 0.037 0.000 1.137 293 L HN 0.346 nan 8.230 nan 0.000 0.470 294 A N 0.559 123.388 122.820 0.016 0.000 2.312 294 A HA 0.766 5.086 4.320 -0.000 0.000 0.328 294 A C 0.242 177.828 177.584 0.003 0.000 1.158 294 A CA -0.373 51.680 52.037 0.027 0.000 0.821 294 A CB 0.828 19.835 19.000 0.012 0.000 1.170 294 A HN 0.158 nan 8.150 nan 0.000 0.490 295 A N 2.229 125.052 122.820 0.006 0.000 2.477 295 A HA 0.570 4.890 4.320 -0.000 0.000 0.246 295 A C 0.299 177.774 177.584 -0.182 0.000 1.078 295 A CA -0.024 51.935 52.037 -0.130 0.000 0.770 295 A CB 0.077 18.918 19.000 -0.266 0.000 1.011 295 A HN 0.719 nan 8.150 nan 0.000 0.494 296 R N 2.139 122.508 120.500 -0.219 0.000 2.744 296 R HA 0.509 4.849 4.340 -0.000 0.000 0.279 296 R C -3.125 173.035 176.300 -0.232 0.000 0.977 296 R CA -2.174 53.817 56.100 -0.181 0.000 0.906 296 R CB 1.909 32.148 30.300 -0.102 0.000 1.197 296 R HN 0.522 nan 8.270 nan 0.000 0.463 297 P HA 0.105 nan 4.420 nan 0.000 0.275 297 P C -0.277 176.961 177.300 -0.103 0.000 1.227 297 P CA -0.274 62.720 63.100 -0.177 0.000 0.781 297 P CB 0.891 32.517 31.700 -0.122 0.000 0.906 298 V N 0.256 120.114 119.914 -0.094 0.000 2.555 298 V HA 0.550 4.670 4.120 -0.000 0.000 0.302 298 V C -0.086 176.121 176.094 0.188 0.000 1.038 298 V CA -1.134 61.185 62.300 0.032 0.000 0.887 298 V CB 1.771 33.531 31.823 -0.106 0.000 0.991 298 V HN 0.454 nan 8.190 nan 0.000 0.434 299 K N 3.783 124.337 120.400 0.258 0.000 2.234 299 K HA 0.757 5.077 4.320 -0.000 0.000 0.277 299 K C 0.188 177.019 176.600 0.384 0.000 1.038 299 K CA -0.253 56.194 56.287 0.267 0.000 0.888 299 K CB 1.377 33.970 32.500 0.155 0.000 1.091 299 K HN 1.167 nan 8.250 nan 0.000 0.467 300 A N 5.429 128.455 122.820 0.342 0.000 2.488 300 A HA 0.202 4.522 4.320 -0.000 0.000 0.249 300 A C 0.036 177.603 177.584 -0.029 0.000 1.083 300 A CA -0.225 51.821 52.037 0.014 0.000 0.768 300 A CB -0.190 18.780 19.000 -0.049 0.000 1.017 300 A HN 0.827 nan 8.150 nan 0.000 0.496 301 I N 3.322 123.813 120.570 -0.131 0.000 2.281 301 I HA 0.164 4.334 4.170 -0.000 0.000 0.293 301 I C 0.457 176.505 176.117 -0.116 0.000 1.085 301 I CA 0.013 61.270 61.300 -0.071 0.000 1.257 301 I CB 0.629 38.597 38.000 -0.054 0.000 1.430 301 I HN 0.693 nan 8.210 nan 0.000 0.489 302 T N 4.081 118.596 114.554 -0.066 0.000 2.853 302 T HA 0.558 4.908 4.350 -0.000 0.000 0.317 302 T C -1.538 173.134 174.700 -0.046 0.000 1.059 302 T CA -1.304 60.760 62.100 -0.059 0.000 0.954 302 T CB 0.702 69.552 68.868 -0.029 0.000 0.994 302 T HN 0.355 nan 8.240 nan 0.000 0.479 303 P HA 0.558 nan 4.420 nan 0.000 0.281 303 P C -3.028 174.196 177.300 -0.127 0.000 1.281 303 P CA -2.167 60.883 63.100 -0.083 0.000 0.811 303 P CB -0.160 31.501 31.700 -0.065 0.000 1.154 304 P HA 0.106 nan 4.420 nan 0.000 0.268 304 P C -0.389 176.758 177.300 -0.255 0.000 1.205 304 P CA 0.262 63.185 63.100 -0.295 0.000 0.771 304 P CB -0.019 31.369 31.700 -0.520 0.000 0.858 305 T N 5.063 119.463 114.554 -0.256 0.000 2.832 305 T HA 0.281 4.630 4.350 -0.000 0.000 0.296 305 T C -2.089 172.474 174.700 -0.228 0.000 0.968 305 T CA -1.053 60.920 62.100 -0.211 0.000 1.107 305 T CB -0.074 68.663 68.868 -0.218 0.000 0.916 305 T HN 0.291 nan 8.240 nan 0.000 0.517 306 P HA 0.240 nan 4.420 nan 0.000 0.273 306 P C -0.555 176.666 177.300 -0.132 0.000 1.250 306 P CA -0.648 62.366 63.100 -0.143 0.000 0.793 306 P CB 0.256 31.897 31.700 -0.099 0.000 1.011 307 A N 1.159 123.917 122.820 -0.103 0.000 2.572 307 A HA 0.062 4.382 4.320 -0.000 0.000 0.256 307 A C 0.157 177.684 177.584 -0.094 0.000 1.041 307 A CA 0.266 52.248 52.037 -0.092 0.000 0.790 307 A CB -1.064 17.892 19.000 -0.073 0.000 0.947 307 A HN 0.341 nan 8.150 nan 0.000 0.518 308 V N 6.482 126.333 119.914 -0.106 0.000 2.385 308 V HA 0.109 4.229 4.120 -0.000 0.000 0.269 308 V C 1.472 177.526 176.094 -0.067 0.000 1.043 308 V CA -0.577 61.669 62.300 -0.090 0.000 0.906 308 V CB 0.812 32.567 31.823 -0.113 0.000 0.995 308 V HN 1.017 nan 8.190 nan 0.000 0.467 309 R N 4.045 124.513 120.500 -0.053 0.000 2.091 309 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 309 R C 1.452 177.734 176.300 -0.030 0.000 1.136 309 R CA 1.426 57.496 56.100 -0.049 0.000 0.959 309 R CB -0.572 29.702 30.300 -0.043 0.000 0.856 309 R HN 0.725 nan 8.270 nan 0.000 0.437 310 A N 1.992 124.822 122.820 0.017 0.000 3.051 310 A HA 0.229 4.549 4.320 -0.000 0.000 0.257 310 A C -0.404 177.274 177.584 0.156 0.000 1.785 310 A CA 0.065 52.166 52.037 0.108 0.000 1.420 310 A CB -0.203 18.879 19.000 0.137 0.000 1.063 310 A HN 0.090 nan 8.150 nan 0.000 0.630 311 S N 0.290 116.042 115.700 0.087 0.000 2.548 311 S HA 0.447 4.917 4.470 -0.000 0.000 0.286 311 S C -0.803 173.857 174.600 0.101 0.000 1.098 311 S CA -0.589 57.679 58.200 0.114 0.000 0.930 311 S CB 1.088 64.276 63.200 -0.019 0.000 1.070 311 S HN 0.665 nan 8.310 nan 0.000 0.480 312 W N 4.521 125.858 121.300 0.061 0.000 2.416 312 W HA 0.471 5.131 4.660 -0.000 0.000 0.318 312 W C -1.602 174.793 176.519 -0.207 0.000 1.150 312 W CA -0.419 56.901 57.345 -0.041 0.000 1.392 312 W CB 0.280 29.834 29.460 0.156 0.000 1.311 312 W HN 0.330 nan 8.180 nan 0.000 0.436 313 V N 7.530 126.992 119.914 -0.754 0.000 2.427 313 V HA 0.401 4.521 4.120 -0.000 0.000 0.286 313 V C 0.026 175.672 176.094 -0.746 0.000 1.034 313 V CA -0.269 61.542 62.300 -0.815 0.000 0.893 313 V CB 1.158 32.024 31.823 -1.594 0.000 0.982 313 V HN 0.644 nan 8.190 nan 0.000 0.452 314 H N 2.332 121.280 119.070 -0.205 0.000 2.981 314 H HA 0.887 5.443 4.556 -0.000 0.000 0.327 314 H C -1.310 174.230 175.328 0.352 0.000 1.342 314 H CA -1.287 54.765 56.048 0.007 0.000 1.123 314 H CB 2.132 31.917 29.762 0.039 0.000 1.851 314 H HN 0.438 nan 8.280 nan 0.000 0.531 315 K N 1.338 121.783 120.400 0.076 0.000 2.575 315 K HA 0.254 4.574 4.320 -0.000 0.000 0.255 315 K C -1.300 175.346 176.600 0.077 0.000 0.953 315 K CA -0.050 56.241 56.287 0.007 0.000 0.840 315 K CB 2.017 34.520 32.500 0.005 0.000 1.303 315 K HN 0.921 nan 8.250 nan 0.000 0.438 316 T N -0.005 114.644 114.554 0.159 0.000 2.918 316 T HA 0.859 5.209 4.350 -0.000 0.000 0.283 316 T C 0.320 175.116 174.700 0.160 0.000 1.001 316 T CA -0.421 61.840 62.100 0.268 0.000 1.041 316 T CB 1.560 70.523 68.868 0.159 0.000 1.028 316 T HN 0.619 nan 8.240 nan 0.000 0.511 317 G N -0.463 108.440 108.800 0.171 0.000 2.733 317 G HA2 0.735 4.695 3.960 -0.000 0.000 0.297 317 G HA3 0.735 4.695 3.960 -0.000 0.000 0.297 317 G C -1.521 173.473 174.900 0.156 0.000 1.422 317 G CA -0.597 44.602 45.100 0.165 0.000 0.942 317 G HN 1.142 nan 8.290 nan 0.000 0.510 318 A N 0.656 123.567 122.820 0.152 0.000 2.520 318 A HA 0.954 5.274 4.320 -0.000 0.000 0.298 318 A C 0.093 177.773 177.584 0.159 0.000 1.051 318 A CA 0.077 52.208 52.037 0.157 0.000 0.690 318 A CB 1.632 20.690 19.000 0.097 0.000 1.281 318 A HN 1.757 nan 8.150 nan 0.000 0.402 319 T N -1.503 113.184 114.554 0.221 0.000 2.844 319 T HA 0.630 4.980 4.350 -0.000 0.000 0.274 319 T C 1.379 176.192 174.700 0.189 0.000 0.991 319 T CA 0.172 62.387 62.100 0.192 0.000 0.983 319 T CB 0.951 69.986 68.868 0.278 0.000 1.310 319 T HN 1.378 nan 8.240 nan 0.000 0.596 320 G N -0.422 108.476 108.800 0.165 0.000 2.422 320 G HA2 0.140 4.100 3.960 -0.000 0.000 0.218 320 G HA3 0.140 4.100 3.960 -0.000 0.000 0.218 320 G C 1.253 176.247 174.900 0.157 0.000 1.146 320 G CA 0.569 45.749 45.100 0.134 0.000 0.769 320 G HN 1.066 nan 8.290 nan 0.000 0.547 321 G N -1.293 107.647 108.800 0.233 0.000 3.159 321 G HA2 0.446 4.406 3.960 -0.000 0.000 0.232 321 G HA3 0.446 4.406 3.960 -0.000 0.000 0.232 321 G C -0.258 174.612 174.900 -0.050 0.000 1.116 321 G CA -0.408 44.750 45.100 0.096 0.000 0.767 321 G HN 0.211 nan 8.290 nan 0.000 0.547 322 F N -0.526 119.561 119.950 0.228 0.000 2.588 322 F HA 0.693 5.220 4.527 -0.000 0.000 0.314 322 F C 0.320 176.256 175.800 0.227 0.000 1.069 322 F CA -1.151 57.019 58.000 0.283 0.000 0.931 322 F CB 2.433 41.625 39.000 0.319 0.000 1.260 322 F HN -0.010 nan 8.300 nan 0.000 0.465 323 G N 0.702 109.758 108.800 0.427 0.000 2.683 323 G HA2 0.549 4.509 3.960 -0.000 0.000 0.299 323 G HA3 0.549 4.509 3.960 -0.000 0.000 0.299 323 G C -1.462 173.595 174.900 0.261 0.000 1.432 323 G CA -0.709 44.524 45.100 0.223 0.000 0.978 323 G HN 0.737 nan 8.290 nan 0.000 0.513 324 S N 1.084 116.917 115.700 0.221 0.000 2.600 324 S HA 0.858 5.328 4.470 -0.000 0.000 0.300 324 S C -1.412 173.368 174.600 0.300 0.000 1.087 324 S CA -0.961 57.388 58.200 0.248 0.000 0.965 324 S CB 2.424 65.763 63.200 0.233 0.000 1.089 324 S HN 0.999 nan 8.310 nan 0.000 0.496 325 Y N 0.376 120.773 120.300 0.161 0.000 2.482 325 Y HA 0.612 5.162 4.550 -0.000 0.000 0.334 325 Y C -1.914 174.127 175.900 0.236 0.000 1.091 325 Y CA -0.807 57.404 58.100 0.185 0.000 1.027 325 Y CB 1.633 40.206 38.460 0.187 0.000 1.306 325 Y HN 0.775 nan 8.280 nan 0.000 0.446 326 V N 4.259 123.959 119.914 -0.358 0.000 2.709 326 V HA 0.987 5.107 4.120 -0.000 0.000 0.308 326 V C -0.849 174.990 176.094 -0.424 0.000 1.062 326 V CA -0.327 61.883 62.300 -0.150 0.000 0.901 326 V CB 1.505 33.484 31.823 0.261 0.000 1.003 326 V HN 1.004 nan 8.190 nan 0.000 0.425 327 A N 4.390 127.044 122.820 -0.277 0.000 2.520 327 A HA 1.024 5.344 4.320 -0.000 0.000 0.298 327 A C -1.319 176.040 177.584 -0.375 0.000 1.051 327 A CA -0.506 51.235 52.037 -0.493 0.000 0.690 327 A CB 1.801 20.438 19.000 -0.605 0.000 1.281 327 A HN 1.489 nan 8.150 nan 0.000 0.402 328 F N -0.719 118.795 119.950 -0.728 0.000 2.668 328 F HA 0.833 5.359 4.527 -0.000 0.000 0.309 328 F C -1.414 174.020 175.800 -0.610 0.000 1.117 328 F CA -1.294 56.349 58.000 -0.595 0.000 0.951 328 F CB 1.273 39.986 39.000 -0.478 0.000 1.323 328 F HN 0.305 nan 8.300 nan 0.000 0.451 329 I N 2.431 122.801 120.570 -0.333 0.000 2.495 329 I HA 0.319 4.489 4.170 -0.000 0.000 0.277 329 I C -2.142 173.847 176.117 -0.213 0.000 1.045 329 I CA -1.827 59.235 61.300 -0.396 0.000 1.135 329 I CB 1.775 39.383 38.000 -0.654 0.000 1.241 329 I HN 0.376 nan 8.210 nan 0.000 0.469 330 P HA -0.223 nan 4.420 nan 0.000 0.216 330 P C 1.296 178.528 177.300 -0.112 0.000 1.153 330 P CA 1.415 64.473 63.100 -0.070 0.000 0.858 330 P CB 0.150 31.820 31.700 -0.050 0.000 0.789 331 E N -0.280 119.849 120.200 -0.118 0.000 2.265 331 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 331 E C 1.402 177.932 176.600 -0.116 0.000 0.996 331 E CA 0.977 57.321 56.400 -0.094 0.000 0.832 331 E CB -0.577 29.094 29.700 -0.050 0.000 0.756 331 E HN 0.107 nan 8.360 nan 0.000 0.491 332 K N 0.586 120.880 120.400 -0.176 0.000 2.367 332 K HA 0.059 4.379 4.320 -0.000 0.000 0.194 332 K C -0.230 176.270 176.600 -0.167 0.000 1.027 332 K CA 0.337 56.519 56.287 -0.176 0.000 1.075 332 K CB 0.373 32.721 32.500 -0.254 0.000 0.845 332 K HN 0.202 nan 8.250 nan 0.000 0.529 333 E N 0.704 120.810 120.200 -0.158 0.000 2.297 333 E HA -0.226 4.124 4.350 -0.000 0.000 0.228 333 E C -0.826 175.688 176.600 -0.144 0.000 1.213 333 E CA 0.219 56.528 56.400 -0.153 0.000 0.712 333 E CB -1.263 28.343 29.700 -0.156 0.000 1.202 333 E HN 0.027 nan 8.360 nan 0.000 0.376 334 L N -0.327 120.816 121.223 -0.133 0.000 2.408 334 L HA 0.819 5.159 4.340 -0.000 0.000 0.268 334 L C 0.061 176.879 176.870 -0.086 0.000 0.986 334 L CA 0.200 54.988 54.840 -0.087 0.000 0.820 334 L CB 2.103 44.099 42.059 -0.104 0.000 1.303 334 L HN 0.078 nan 8.230 nan 0.000 0.411 335 G N 3.927 112.708 108.800 -0.032 0.000 2.623 335 G HA2 0.639 4.599 3.960 -0.000 0.000 0.290 335 G HA3 0.639 4.599 3.960 -0.000 0.000 0.290 335 G C -2.240 172.678 174.900 0.031 0.000 1.437 335 G CA -0.454 44.631 45.100 -0.026 0.000 0.798 335 G HN 0.778 nan 8.290 nan 0.000 0.488 336 I N -0.259 120.338 120.570 0.045 0.000 2.827 336 I HA 0.678 4.848 4.170 -0.000 0.000 0.298 336 I C -1.334 174.866 176.117 0.138 0.000 1.235 336 I CA -1.000 60.371 61.300 0.117 0.000 1.021 336 I CB 2.372 40.468 38.000 0.160 0.000 1.259 336 I HN 0.391 nan 8.210 nan 0.000 0.427 337 V N 7.080 127.106 119.914 0.187 0.000 2.588 337 V HA 0.523 4.643 4.120 -0.000 0.000 0.304 337 V C -0.545 175.690 176.094 0.235 0.000 1.042 337 V CA -0.454 61.969 62.300 0.206 0.000 0.877 337 V CB 1.842 33.791 31.823 0.211 0.000 0.996 337 V HN 0.639 nan 8.190 nan 0.000 0.425 338 M N 6.093 125.843 119.600 0.250 0.000 2.093 338 M HA 0.587 5.067 4.480 -0.000 0.000 0.297 338 M C -1.318 175.088 176.300 0.177 0.000 0.938 338 M CA -0.122 55.325 55.300 0.245 0.000 0.920 338 M CB 1.716 34.509 32.600 0.323 0.000 1.517 338 M HN 0.391 nan 8.290 nan 0.000 0.427 339 L N 3.028 124.256 121.223 0.009 0.000 2.325 339 L HA 0.946 5.286 4.340 -0.000 0.000 0.281 339 L C -0.336 176.428 176.870 -0.176 0.000 1.004 339 L CA -0.698 54.001 54.840 -0.236 0.000 0.823 339 L CB 1.640 43.178 42.059 -0.868 0.000 1.236 339 L HN 0.768 nan 8.230 nan 0.000 0.415 340 A N 2.103 125.086 122.820 0.272 0.000 2.414 340 A HA 0.551 4.870 4.320 -0.000 0.000 0.306 340 A C -0.153 177.830 177.584 0.666 0.000 1.054 340 A CA -0.761 51.570 52.037 0.489 0.000 0.724 340 A CB 1.173 20.449 19.000 0.459 0.000 1.267 340 A HN 0.754 nan 8.150 nan 0.000 0.418 341 N N 1.280 120.305 118.700 0.542 0.000 2.597 341 N HA 0.132 4.872 4.740 -0.000 0.000 0.269 341 N C -0.431 175.068 175.510 -0.019 0.000 1.204 341 N CA -0.024 53.019 53.050 -0.011 0.000 0.947 341 N CB 0.072 38.546 38.487 -0.021 0.000 1.258 341 N HN 0.598 nan 8.380 nan 0.000 0.508 342 K N 0.087 120.581 120.400 0.157 0.000 2.550 342 K HA 0.207 4.527 4.320 -0.000 0.000 0.252 342 K C -1.579 175.200 176.600 0.298 0.000 0.943 342 K CA -0.689 55.710 56.287 0.187 0.000 0.806 342 K CB 1.139 33.753 32.500 0.189 0.000 1.289 342 K HN -0.059 nan 8.250 nan 0.000 0.435 343 N N 4.009 122.840 118.700 0.219 0.000 2.406 343 N HA 0.092 4.832 4.740 -0.000 0.000 0.265 343 N C -1.444 174.186 175.510 0.199 0.000 1.203 343 N CA 0.203 53.361 53.050 0.180 0.000 0.945 343 N CB -0.023 38.544 38.487 0.132 0.000 1.165 343 N HN 0.481 nan 8.380 nan 0.000 0.485 344 Y N 1.538 121.886 120.300 0.080 0.000 2.598 344 Y HA 0.755 5.305 4.550 -0.000 0.000 0.340 344 Y C -2.580 173.342 175.900 0.038 0.000 1.038 344 Y CA -3.049 55.080 58.100 0.049 0.000 1.100 344 Y CB -0.012 38.470 38.460 0.037 0.000 1.281 344 Y HN 0.308 nan 8.280 nan 0.000 0.488 345 P HA 0.025 nan 4.420 nan 0.000 0.262 345 P C 0.051 177.278 177.300 -0.122 0.000 1.182 345 P CA 0.297 63.389 63.100 -0.014 0.000 0.761 345 P CB 0.722 32.451 31.700 0.049 0.000 0.795 346 N N 4.672 123.289 118.700 -0.139 0.000 2.094 346 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 346 N C -0.907 174.524 175.510 -0.131 0.000 1.023 346 N CA 1.847 54.799 53.050 -0.164 0.000 0.857 346 N CB -1.873 36.546 38.487 -0.112 0.000 1.013 346 N HN 0.449 nan 8.380 nan 0.000 0.426 347 P HA -0.051 nan 4.420 nan 0.000 0.218 347 P C 1.057 178.339 177.300 -0.029 0.000 1.148 347 P CA 1.371 64.438 63.100 -0.056 0.000 0.822 347 P CB -0.067 31.609 31.700 -0.039 0.000 0.784 348 A N -0.143 122.691 122.820 0.024 0.000 1.969 348 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 348 A C 2.213 179.873 177.584 0.127 0.000 1.169 348 A CA 1.322 53.421 52.037 0.104 0.000 0.635 348 A CB -0.879 18.258 19.000 0.228 0.000 0.810 348 A HN 0.109 nan 8.150 nan 0.000 0.445 349 R N -0.692 119.832 120.500 0.041 0.000 2.062 349 R HA -0.047 4.293 4.340 -0.000 0.000 0.231 349 R C 2.040 178.220 176.300 -0.201 0.000 1.136 349 R CA 1.437 57.509 56.100 -0.045 0.000 0.948 349 R CB -0.686 29.455 30.300 -0.266 0.000 0.845 349 R HN 0.355 nan 8.270 nan 0.000 0.430 350 V N 1.838 121.552 119.914 -0.334 0.000 2.295 350 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 350 V C 2.057 178.202 176.094 0.085 0.000 1.049 350 V CA 2.106 64.294 62.300 -0.186 0.000 1.024 350 V CB -0.579 31.187 31.823 -0.093 0.000 0.648 350 V HN 0.316 nan 8.190 nan 0.000 0.447 351 D N 0.538 120.962 120.400 0.040 0.000 2.106 351 D HA -0.200 4.440 4.640 -0.000 0.000 0.191 351 D C 2.151 178.560 176.300 0.182 0.000 0.997 351 D CA 2.034 56.089 54.000 0.091 0.000 0.834 351 D CB -0.199 40.622 40.800 0.034 0.000 0.956 351 D HN 0.373 nan 8.370 nan 0.000 0.448 352 A N 0.528 123.432 122.820 0.141 0.000 1.902 352 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 352 A C 2.412 180.125 177.584 0.215 0.000 1.181 352 A CA 2.533 54.654 52.037 0.140 0.000 0.623 352 A CB -0.993 18.062 19.000 0.091 0.000 0.818 352 A HN 0.332 nan 8.150 nan 0.000 0.443 353 A N -1.815 121.189 122.820 0.307 0.000 1.933 353 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 353 A C 1.998 179.898 177.584 0.528 0.000 1.175 353 A CA 1.488 53.796 52.037 0.452 0.000 0.628 353 A CB -0.832 18.601 19.000 0.723 0.000 0.814 353 A HN 0.835 nan 8.150 nan 0.000 0.444 354 W N 0.661 122.173 121.300 0.354 0.000 2.388 354 W HA -0.141 4.519 4.660 -0.000 0.000 0.294 354 W C 2.325 178.960 176.519 0.194 0.000 1.212 354 W CA 1.710 59.212 57.345 0.262 0.000 1.271 354 W CB -0.005 29.441 29.460 -0.024 0.000 1.126 354 W HN 0.346 nan 8.180 nan 0.000 0.535 355 Q N 0.320 120.316 119.800 0.326 0.000 2.077 355 Q HA -0.248 4.092 4.340 -0.000 0.000 0.206 355 Q C 2.184 178.171 176.000 -0.022 0.000 0.989 355 Q CA 2.373 58.254 55.803 0.130 0.000 0.853 355 Q CB -0.838 27.996 28.738 0.161 0.000 0.907 355 Q HN 0.469 nan 8.270 nan 0.000 0.418 356 I N 0.346 120.939 120.570 0.038 0.000 2.202 356 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 356 I C 2.353 178.458 176.117 -0.021 0.000 1.091 356 I CA 0.886 62.189 61.300 0.006 0.000 1.368 356 I CB -0.249 37.775 38.000 0.041 0.000 1.058 356 I HN 0.123 nan 8.210 nan 0.000 0.410 357 L N 0.258 121.492 121.223 0.017 0.000 2.109 357 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 357 L C 2.285 179.105 176.870 -0.083 0.000 1.086 357 L CA 1.344 56.186 54.840 0.002 0.000 0.760 357 L CB -0.746 41.371 42.059 0.097 0.000 0.910 357 L HN 0.323 nan 8.230 nan 0.000 0.437 358 N N 0.538 119.071 118.700 -0.279 0.000 2.166 358 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 358 N C 1.768 177.172 175.510 -0.176 0.000 1.019 358 N CA 1.406 54.249 53.050 -0.345 0.000 0.856 358 N CB 0.032 37.816 38.487 -1.171 0.000 0.993 358 N HN 0.265 nan 8.380 nan 0.000 0.426 359 A N -0.048 122.674 122.820 -0.163 0.000 1.969 359 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 359 A C 2.047 179.605 177.584 -0.043 0.000 1.169 359 A CA 0.869 52.856 52.037 -0.082 0.000 0.635 359 A CB -0.453 18.503 19.000 -0.074 0.000 0.810 359 A HN 0.362 nan 8.150 nan 0.000 0.445 360 L N -0.590 120.613 121.223 -0.033 0.000 2.477 360 L HA 0.032 4.372 4.340 -0.000 0.000 0.220 360 L C 1.723 178.668 176.870 0.124 0.000 1.106 360 L CA -0.122 54.729 54.840 0.018 0.000 0.851 360 L CB -0.221 41.831 42.059 -0.012 0.000 0.994 360 L HN 0.527 nan 8.230 nan 0.000 0.462 361 Q N 0.000 119.840 119.800 0.066 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.847 55.803 0.073 0.000 1.022 361 Q CB 0.000 28.801 28.738 0.105 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481