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 2pa3_1_A DATA FIRST_RESID 5 DATA SEQUENCE SLEKDKIKFL LVEGVHQKAL ESLRAAGYTN IEFHKGALDD EQLKESIRDA DATA SEQUENCE HFIGLRSRTH LTEDVINAAE KLVAIGAFAI GTNQVDLDAA AKRGIPVFNA DATA SEQUENCE PFSNTRSVAE LVIGELLLLL RGVPEANAKA HRGVWNKLAA GSFEARGKKL DATA SEQUENCE GIIGYGHIGT QLGILAESLG MYVYFYDIEN KLPLGNATQV QHLSDLLNMS DATA SEQUENCE DVVSLHVPEN PSTKNMMGAK EISLMKPGSL LINASRGTVV DIPALADALA DATA SEQUENCE SKHLAGAAID VFPTEPATNS DPFTSPLAEF DNVLLTPHIG GSTQEAQENI DATA SEQUENCE GLEVAGKLIK YSDNGSTLSA VNFPEVSLPL HVGRRLMHIH ENRPGVLTAL DATA SEQUENCE NKIFAEQGVN IAAQYLQTSA QMGYVVIDIE ADEDVAEKAL QAMKAIPGTI DATA SEQUENCE RARLLY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.577 174.600 -0.038 0.000 1.055 5 S CA 0.000 58.157 58.200 -0.072 0.000 1.107 5 S CB 0.000 63.168 63.200 -0.053 0.000 0.593 6 L N 2.107 123.318 121.223 -0.019 0.000 2.156 6 L HA 0.124 4.464 4.340 0.000 0.000 0.208 6 L C 2.249 179.125 176.870 0.010 0.000 1.095 6 L CA 1.815 56.654 54.840 -0.001 0.000 0.770 6 L CB -0.146 41.915 42.059 0.003 0.000 0.914 6 L HN 0.478 nan 8.230 nan 0.000 0.439 7 E N 0.082 120.287 120.200 0.007 0.000 2.112 7 E HA -0.161 4.189 4.350 0.000 0.000 0.190 7 E C 2.085 178.703 176.600 0.029 0.000 0.979 7 E CA 1.109 57.522 56.400 0.021 0.000 0.814 7 E CB 0.190 29.907 29.700 0.028 0.000 0.762 7 E HN 0.198 nan 8.360 nan 0.000 0.460 8 K N 0.183 120.585 120.400 0.003 0.000 2.103 8 K HA -0.086 4.235 4.320 0.000 0.000 0.204 8 K C 1.486 178.144 176.600 0.096 0.000 1.052 8 K CA 1.132 57.428 56.287 0.014 0.000 0.945 8 K CB -0.019 32.348 32.500 -0.222 0.000 0.722 8 K HN 0.099 nan 8.250 nan 0.000 0.443 9 D N 0.994 121.425 120.400 0.052 0.000 2.292 9 D HA -0.176 4.464 4.640 0.000 0.000 0.205 9 D C 1.148 177.517 176.300 0.114 0.000 0.994 9 D CA 1.229 55.277 54.000 0.081 0.000 0.897 9 D CB 0.105 40.934 40.800 0.048 0.000 0.907 9 D HN 0.054 nan 8.370 nan 0.000 0.467 10 K N -0.082 120.377 120.400 0.098 0.000 2.387 10 K HA 0.193 4.513 4.320 0.000 0.000 0.198 10 K C 0.459 177.107 176.600 0.080 0.000 1.022 10 K CA -0.114 56.231 56.287 0.096 0.000 1.128 10 K CB 1.125 33.667 32.500 0.070 0.000 0.853 10 K HN 0.226 nan 8.250 nan 0.000 0.523 11 I N 2.221 122.852 120.570 0.102 0.000 2.306 11 I HA 0.156 4.326 4.170 0.000 0.000 0.288 11 I C 0.255 176.528 176.117 0.260 0.000 1.036 11 I CA -0.565 60.727 61.300 -0.013 0.000 1.221 11 I CB 0.956 38.989 38.000 0.055 0.000 1.385 11 I HN -0.174 nan 8.210 nan 0.000 0.472 12 K N 6.677 127.297 120.400 0.366 0.000 2.234 12 K HA 0.415 4.735 4.320 0.000 0.000 0.282 12 K C -1.464 175.246 176.600 0.184 0.000 1.039 12 K CA -0.294 56.170 56.287 0.296 0.000 0.928 12 K CB 0.852 33.490 32.500 0.229 0.000 1.039 12 K HN 0.287 nan 8.250 nan 0.000 0.470 13 F N 4.518 124.598 119.950 0.217 0.000 2.427 13 F HA 0.277 4.804 4.527 0.000 0.000 0.348 13 F C -0.288 175.598 175.800 0.142 0.000 1.125 13 F CA -0.992 57.130 58.000 0.203 0.000 0.989 13 F CB 1.282 40.354 39.000 0.119 0.000 1.165 13 F HN 0.326 nan 8.300 nan 0.000 0.442 14 L N 6.065 127.446 121.223 0.264 0.000 2.262 14 L HA 0.536 4.876 4.340 0.000 0.000 0.288 14 L C -1.273 175.687 176.870 0.150 0.000 1.035 14 L CA -0.328 54.616 54.840 0.173 0.000 0.820 14 L CB 0.432 42.563 42.059 0.119 0.000 1.204 14 L HN 0.449 nan 8.230 nan 0.000 0.424 15 L N 6.758 128.035 121.223 0.091 0.000 2.305 15 L HA 0.677 5.017 4.340 0.000 0.000 0.284 15 L C -0.190 176.586 176.870 -0.156 0.000 1.013 15 L CA -0.864 53.965 54.840 -0.019 0.000 0.819 15 L CB 1.583 43.679 42.059 0.062 0.000 1.227 15 L HN 0.514 nan 8.230 nan 0.000 0.417 16 V N -0.615 119.211 119.914 -0.146 0.000 3.113 16 V HA 0.565 4.685 4.120 0.000 0.000 0.316 16 V C 0.205 176.180 176.094 -0.199 0.000 1.125 16 V CA -0.621 61.583 62.300 -0.160 0.000 1.026 16 V CB 1.706 33.491 31.823 -0.062 0.000 1.080 16 V HN 0.898 nan 8.190 nan 0.000 0.444 17 E N 0.532 120.626 120.200 -0.176 0.000 2.971 17 E HA -0.179 4.171 4.350 0.000 0.000 0.278 17 E C 0.853 177.368 176.600 -0.141 0.000 1.009 17 E CA 0.650 56.974 56.400 -0.127 0.000 0.862 17 E CB -1.776 27.883 29.700 -0.069 0.000 1.436 17 E HN 2.306 nan 8.360 nan 0.000 0.434 18 G N 0.189 108.830 108.800 -0.266 0.000 2.392 18 G HA2 -0.209 3.751 3.960 0.000 0.000 0.290 18 G HA3 -0.209 3.751 3.960 0.000 0.000 0.290 18 G C 0.420 175.335 174.900 0.025 0.000 1.032 18 G CA 0.203 45.228 45.100 -0.126 0.000 1.269 18 G HN 0.902 nan 8.290 nan 0.000 0.511 19 V N -0.693 119.224 119.914 0.006 0.000 3.185 19 V HA 0.544 4.664 4.120 0.000 0.000 0.305 19 V C 1.345 177.519 176.094 0.134 0.000 1.090 19 V CA -0.969 61.313 62.300 -0.030 0.000 1.107 19 V CB 1.127 32.686 31.823 -0.440 0.000 1.061 19 V HN 0.646 nan 8.190 nan 0.000 0.480 20 H N 1.841 120.939 119.070 0.046 0.000 2.790 20 H HA 0.109 4.665 4.556 0.000 0.000 0.358 20 H C 1.061 176.380 175.328 -0.015 0.000 1.103 20 H CA 0.362 56.432 56.048 0.038 0.000 1.426 20 H CB 1.360 31.151 29.762 0.049 0.000 1.424 20 H HN 0.814 nan 8.280 nan 0.000 0.599 21 Q N 3.856 123.613 119.800 -0.072 0.000 2.234 21 Q HA -0.154 4.187 4.340 0.000 0.000 0.206 21 Q C 1.770 177.856 176.000 0.143 0.000 0.980 21 Q CA 1.148 56.919 55.803 -0.053 0.000 0.869 21 Q CB 0.042 28.674 28.738 -0.176 0.000 0.912 21 Q HN 0.639 nan 8.270 nan 0.000 0.436 22 K N 0.115 120.787 120.400 0.454 0.000 2.147 22 K HA -0.098 4.223 4.320 0.000 0.000 0.205 22 K C 2.017 178.654 176.600 0.061 0.000 1.049 22 K CA 0.975 57.335 56.287 0.122 0.000 0.936 22 K CB -0.091 32.366 32.500 -0.071 0.000 0.722 22 K HN 0.138 nan 8.250 nan 0.000 0.446 23 A N 1.013 123.901 122.820 0.113 0.000 1.940 23 A HA -0.150 4.170 4.320 0.000 0.000 0.219 23 A C 1.953 179.538 177.584 0.002 0.000 1.176 23 A CA 1.381 53.485 52.037 0.111 0.000 0.631 23 A CB -0.342 18.792 19.000 0.223 0.000 0.814 23 A HN 0.129 nan 8.150 nan 0.000 0.446 24 L N -0.705 120.491 121.223 -0.044 0.000 2.341 24 L HA 0.000 4.341 4.340 0.000 0.000 0.214 24 L C 2.209 179.024 176.870 -0.090 0.000 1.115 24 L CA 1.322 56.100 54.840 -0.103 0.000 0.820 24 L CB -0.425 41.531 42.059 -0.171 0.000 0.944 24 L HN 0.392 nan 8.230 nan 0.000 0.452 25 E N -0.667 119.497 120.200 -0.060 0.000 2.046 25 E HA -0.140 4.211 4.350 0.000 0.000 0.190 25 E C 2.274 178.841 176.600 -0.054 0.000 0.982 25 E CA 1.304 57.673 56.400 -0.052 0.000 0.800 25 E CB -0.028 29.652 29.700 -0.033 0.000 0.756 25 E HN 0.335 nan 8.360 nan 0.000 0.449 26 S N 0.935 116.605 115.700 -0.051 0.000 2.359 26 S HA -0.174 4.297 4.470 0.000 0.000 0.224 26 S C 1.852 176.407 174.600 -0.076 0.000 1.035 26 S CA 0.834 58.999 58.200 -0.058 0.000 1.018 26 S CB -0.226 62.940 63.200 -0.057 0.000 0.876 26 S HN 0.085 nan 8.310 nan 0.000 0.448 27 L N 1.729 122.879 121.223 -0.123 0.000 2.042 27 L HA -0.054 4.286 4.340 0.000 0.000 0.210 27 L C 2.461 179.289 176.870 -0.071 0.000 1.076 27 L CA 1.679 56.409 54.840 -0.183 0.000 0.749 27 L CB -0.730 41.123 42.059 -0.343 0.000 0.893 27 L HN 0.236 nan 8.230 nan 0.000 0.432 28 R N -1.257 119.200 120.500 -0.071 0.000 2.090 28 R HA -0.007 4.334 4.340 0.000 0.000 0.228 28 R C 2.172 178.442 176.300 -0.050 0.000 1.110 28 R CA 1.110 57.180 56.100 -0.050 0.000 0.973 28 R CB -0.562 29.706 30.300 -0.053 0.000 0.869 28 R HN 0.348 nan 8.270 nan 0.000 0.440 29 A N 1.495 124.285 122.820 -0.049 0.000 1.972 29 A HA -0.070 4.251 4.320 0.000 0.000 0.219 29 A C 2.177 179.730 177.584 -0.053 0.000 1.169 29 A CA 1.631 53.639 52.037 -0.048 0.000 0.635 29 A CB -0.354 18.620 19.000 -0.043 0.000 0.810 29 A HN 0.367 nan 8.150 nan 0.000 0.446 30 A N -1.962 120.836 122.820 -0.037 0.000 2.238 30 A HA 0.414 4.734 4.320 0.000 0.000 0.208 30 A C 1.770 179.248 177.584 -0.177 0.000 1.177 30 A CA 1.174 53.189 52.037 -0.037 0.000 0.804 30 A CB -0.897 18.157 19.000 0.090 0.000 0.823 30 A HN 1.843 nan 8.150 nan 0.000 0.482 31 G N -2.356 106.341 108.800 -0.172 0.000 2.175 31 G HA2 -0.276 3.684 3.960 0.000 0.000 0.244 31 G HA3 -0.276 3.684 3.960 0.000 0.000 0.244 31 G C -0.106 174.608 174.900 -0.310 0.000 0.982 31 G CA 0.244 45.190 45.100 -0.257 0.000 0.641 31 G HN 0.443 nan 8.290 nan 0.000 0.527 32 Y N 1.628 121.898 120.300 -0.050 0.000 2.425 32 Y HA 0.488 5.038 4.550 0.001 0.000 0.347 32 Y C 1.661 177.529 175.900 -0.053 0.000 0.976 32 Y CA 0.346 58.432 58.100 -0.022 0.000 1.190 32 Y CB 1.481 39.886 38.460 -0.092 0.000 1.136 32 Y HN 0.220 nan 8.280 nan 0.000 0.517 33 T N -2.435 112.204 114.554 0.142 0.000 3.003 33 T HA 0.055 4.405 4.350 0.000 0.000 0.261 33 T C 0.463 175.233 174.700 0.116 0.000 1.003 33 T CA -0.399 61.747 62.100 0.077 0.000 0.917 33 T CB -0.119 68.769 68.868 0.033 0.000 1.084 33 T HN 0.605 nan 8.240 nan 0.000 0.522 34 N N 1.854 120.673 118.700 0.199 0.000 2.895 34 N HA 0.241 4.981 4.740 0.000 0.000 0.277 34 N C -0.900 174.763 175.510 0.255 0.000 1.185 34 N CA -0.176 52.998 53.050 0.207 0.000 1.106 34 N CB -0.039 38.584 38.487 0.226 0.000 1.422 34 N HN 0.486 nan 8.380 nan 0.000 0.521 35 I N 1.491 122.166 120.570 0.175 0.000 2.406 35 I HA 0.179 4.350 4.170 0.000 0.000 0.290 35 I C 0.036 176.228 176.117 0.125 0.000 0.999 35 I CA -0.738 60.669 61.300 0.178 0.000 1.124 35 I CB 1.950 40.012 38.000 0.103 0.000 1.289 35 I HN 0.295 nan 8.210 nan 0.000 0.441 36 E N 6.653 126.926 120.200 0.121 0.000 2.035 36 E HA 0.261 4.611 4.350 0.000 0.000 0.271 36 E C -1.504 175.067 176.600 -0.049 0.000 0.953 36 E CA -0.546 55.865 56.400 0.019 0.000 0.777 36 E CB 0.894 30.615 29.700 0.035 0.000 1.104 36 E HN 0.438 nan 8.360 nan 0.000 0.408 37 F N 4.799 124.587 119.950 -0.269 0.000 2.404 37 F HA 0.332 4.859 4.527 0.000 0.000 0.339 37 F C -0.587 174.911 175.800 -0.503 0.000 1.105 37 F CA -0.457 57.376 58.000 -0.279 0.000 1.087 37 F CB 0.787 39.690 39.000 -0.162 0.000 1.143 37 F HN 0.457 nan 8.300 nan 0.000 0.491 38 H N 5.550 124.092 119.070 -0.880 0.000 2.689 38 H HA 0.206 4.763 4.556 0.001 0.000 0.346 38 H C 0.301 175.111 175.328 -0.863 0.000 1.037 38 H CA -0.696 54.965 56.048 -0.646 0.000 1.234 38 H CB 2.204 31.772 29.762 -0.323 0.000 1.572 38 H HN 0.724 nan 8.280 nan 0.000 0.524 39 K N 1.854 122.033 120.400 -0.369 0.000 2.283 39 K HA 0.019 4.339 4.320 0.000 0.000 0.202 39 K C 1.034 177.550 176.600 -0.140 0.000 1.048 39 K CA 0.608 56.771 56.287 -0.207 0.000 0.948 39 K CB 0.352 32.856 32.500 0.008 0.000 0.742 39 K HN 0.640 nan 8.250 nan 0.000 0.458 40 G N -0.512 108.223 108.800 -0.107 0.000 2.471 40 G HA2 0.535 4.496 3.960 0.000 0.000 0.332 40 G HA3 0.535 4.496 3.960 0.000 0.000 0.332 40 G C -1.292 173.546 174.900 -0.103 0.000 1.176 40 G CA -0.673 44.376 45.100 -0.085 0.000 0.949 40 G HN 0.187 nan 8.290 nan 0.000 0.488 41 A N 0.533 123.305 122.820 -0.080 0.000 2.444 41 A HA 0.478 4.798 4.320 0.000 0.000 0.273 41 A C 0.134 177.656 177.584 -0.103 0.000 1.136 41 A CA -0.282 51.710 52.037 -0.075 0.000 0.799 41 A CB -0.043 18.933 19.000 -0.040 0.000 1.081 41 A HN 0.477 nan 8.150 nan 0.000 0.509 42 L N 2.781 123.925 121.223 -0.132 0.000 2.485 42 L HA 0.151 4.491 4.340 0.000 0.000 0.275 42 L C 0.740 177.555 176.870 -0.092 0.000 1.207 42 L CA 0.595 55.341 54.840 -0.156 0.000 0.855 42 L CB 0.441 42.394 42.059 -0.175 0.000 1.114 42 L HN 0.901 nan 8.230 nan 0.000 0.485 43 D N 0.955 121.301 120.400 -0.090 0.000 2.387 43 D HA 0.032 4.672 4.640 0.000 0.000 0.251 43 D C 0.832 177.098 176.300 -0.057 0.000 1.141 43 D CA -0.392 53.569 54.000 -0.065 0.000 0.987 43 D CB 0.608 41.371 40.800 -0.062 0.000 1.116 43 D HN 0.613 nan 8.370 nan 0.000 0.491 44 D N -0.332 120.038 120.400 -0.050 0.000 2.157 44 D HA -0.269 4.371 4.640 0.000 0.000 0.191 44 D C 1.559 177.836 176.300 -0.039 0.000 1.004 44 D CA 1.638 55.613 54.000 -0.042 0.000 0.854 44 D CB 0.075 40.848 40.800 -0.046 0.000 0.936 44 D HN 0.789 nan 8.370 nan 0.000 0.446 45 E N 0.124 120.300 120.200 -0.041 0.000 2.216 45 E HA -0.180 4.170 4.350 0.000 0.000 0.192 45 E C 1.874 178.450 176.600 -0.040 0.000 0.988 45 E CA 0.667 57.045 56.400 -0.036 0.000 0.834 45 E CB -0.246 29.435 29.700 -0.033 0.000 0.772 45 E HN 0.458 nan 8.360 nan 0.000 0.479 46 Q N 0.274 120.041 119.800 -0.054 0.000 2.302 46 Q HA 0.015 4.356 4.340 0.000 0.000 0.202 46 Q C 2.247 178.207 176.000 -0.067 0.000 0.936 46 Q CA 0.367 56.130 55.803 -0.067 0.000 0.886 46 Q CB -0.186 28.493 28.738 -0.098 0.000 0.986 46 Q HN 0.177 nan 8.270 nan 0.000 0.487 47 L N 2.030 123.216 121.223 -0.062 0.000 1.989 47 L HA -0.166 4.174 4.340 0.000 0.000 0.211 47 L C 1.985 178.839 176.870 -0.027 0.000 1.071 47 L CA 1.933 56.747 54.840 -0.043 0.000 0.749 47 L CB -0.352 41.687 42.059 -0.032 0.000 0.890 47 L HN 0.021 nan 8.230 nan 0.000 0.431 48 K N -0.692 119.691 120.400 -0.027 0.000 2.211 48 K HA -0.223 4.097 4.320 0.000 0.000 0.204 48 K C 2.026 178.613 176.600 -0.021 0.000 1.047 48 K CA 1.485 57.758 56.287 -0.024 0.000 0.935 48 K CB -0.158 32.328 32.500 -0.023 0.000 0.728 48 K HN 0.533 nan 8.250 nan 0.000 0.452 49 E N 0.373 120.561 120.200 -0.020 0.000 2.122 49 E HA -0.048 4.302 4.350 0.000 0.000 0.190 49 E C 1.587 178.185 176.600 -0.003 0.000 0.977 49 E CA 0.595 56.987 56.400 -0.013 0.000 0.820 49 E CB 0.299 29.991 29.700 -0.012 0.000 0.770 49 E HN 0.087 nan 8.360 nan 0.000 0.462 50 S N 0.520 116.222 115.700 0.003 0.000 2.446 50 S HA 0.068 4.538 4.470 0.000 0.000 0.225 50 S C 1.795 176.408 174.600 0.021 0.000 1.016 50 S CA 0.039 58.258 58.200 0.031 0.000 0.943 50 S CB 0.131 63.366 63.200 0.059 0.000 0.786 50 S HN 0.288 nan 8.310 nan 0.000 0.508 51 I N 1.279 121.849 120.570 -0.001 0.000 3.251 51 I HA 0.023 4.193 4.170 0.000 0.000 0.277 51 I C 2.403 178.492 176.117 -0.047 0.000 1.268 51 I CA 0.342 61.631 61.300 -0.018 0.000 1.449 51 I CB -0.050 37.938 38.000 -0.021 0.000 1.083 51 I HN 0.163 nan 8.210 nan 0.000 0.464 52 R N 1.214 121.690 120.500 -0.039 0.000 2.091 52 R HA -0.207 4.134 4.340 0.000 0.000 0.238 52 R C 0.805 177.056 176.300 -0.081 0.000 1.136 52 R CA 2.038 58.106 56.100 -0.053 0.000 0.959 52 R CB -0.187 30.092 30.300 -0.035 0.000 0.856 52 R HN 0.483 nan 8.270 nan 0.000 0.437 53 D N -0.969 119.387 120.400 -0.074 0.000 2.525 53 D HA 0.121 4.762 4.640 0.000 0.000 0.229 53 D C -0.867 175.330 176.300 -0.170 0.000 1.202 53 D CA -0.236 53.695 54.000 -0.115 0.000 0.828 53 D CB 0.441 41.209 40.800 -0.053 0.000 1.008 53 D HN 0.154 nan 8.370 nan 0.000 0.493 54 A N 0.445 123.164 122.820 -0.168 0.000 2.274 54 A HA 0.313 4.633 4.320 0.000 0.000 0.309 54 A C 0.711 178.113 177.584 -0.304 0.000 1.226 54 A CA -0.572 51.378 52.037 -0.145 0.000 0.853 54 A CB 0.442 19.411 19.000 -0.051 0.000 1.146 54 A HN 0.264 nan 8.150 nan 0.000 0.518 55 H N 1.772 120.711 119.070 -0.218 0.000 2.403 55 H HA 0.086 4.642 4.556 0.000 0.000 0.298 55 H C -0.534 174.274 175.328 -0.867 0.000 1.059 55 H CA 1.444 57.202 56.048 -0.483 0.000 1.363 55 H CB 0.178 29.684 29.762 -0.427 0.000 1.410 55 H HN 0.650 nan 8.280 nan 0.000 0.528 56 F N -0.341 119.451 119.950 -0.263 0.000 2.576 56 F HA 0.455 4.982 4.527 0.000 0.000 0.313 56 F C -0.309 175.454 175.800 -0.063 0.000 1.078 56 F CA -0.865 57.004 58.000 -0.218 0.000 0.921 56 F CB 2.650 41.384 39.000 -0.443 0.000 1.232 56 F HN -0.208 nan 8.300 nan 0.000 0.459 57 I N 1.398 122.098 120.570 0.216 0.000 2.498 57 I HA 0.750 4.921 4.170 0.000 0.000 0.290 57 I C -0.718 175.561 176.117 0.269 0.000 1.032 57 I CA -0.346 61.071 61.300 0.195 0.000 1.073 57 I CB 1.569 39.627 38.000 0.095 0.000 1.251 57 I HN 0.689 nan 8.210 nan 0.000 0.426 58 G N 7.462 116.427 108.800 0.275 0.000 2.379 58 G HA2 0.647 4.608 3.960 0.000 0.000 0.327 58 G HA3 0.647 4.608 3.960 0.000 0.000 0.327 58 G C -1.194 173.757 174.900 0.086 0.000 1.145 58 G CA -0.431 44.865 45.100 0.326 0.000 0.905 58 G HN 0.579 nan 8.290 nan 0.000 0.466 59 L N -0.566 120.756 121.223 0.165 0.000 2.503 59 L HA 0.837 5.177 4.340 0.000 0.000 0.248 59 L C 0.079 177.007 176.870 0.097 0.000 1.126 59 L CA -1.403 53.476 54.840 0.065 0.000 0.929 59 L CB 0.907 43.002 42.059 0.059 0.000 1.544 59 L HN 0.582 nan 8.230 nan 0.000 0.404 60 R N -0.733 119.791 120.500 0.040 0.000 2.926 60 R HA 0.521 4.861 4.340 0.000 0.000 0.106 60 R C 0.984 177.288 176.300 0.006 0.000 0.788 60 R CA 0.095 56.220 56.100 0.041 0.000 0.536 60 R CB 0.048 30.364 30.300 0.025 0.000 0.665 60 R HN 0.800 nan 8.270 nan 0.000 0.348 61 S N 0.096 115.790 115.700 -0.010 0.000 2.503 61 S HA 0.105 4.575 4.470 0.000 0.000 0.217 61 S C 1.734 176.313 174.600 -0.035 0.000 0.999 61 S CA 0.147 58.328 58.200 -0.033 0.000 0.914 61 S CB 0.163 63.340 63.200 -0.038 0.000 0.782 61 S HN 0.252 nan 8.310 nan 0.000 0.520 62 R N 1.253 121.749 120.500 -0.006 0.000 2.161 62 R HA 0.187 4.528 4.340 0.000 0.000 0.213 62 R C 0.100 176.447 176.300 0.079 0.000 1.055 62 R CA 0.758 56.878 56.100 0.033 0.000 0.996 62 R CB -0.248 30.068 30.300 0.026 0.000 0.901 62 R HN 0.295 nan 8.270 nan 0.000 0.456 63 T N 0.872 115.446 114.554 0.035 0.000 2.870 63 T HA 0.042 4.392 4.350 0.000 0.000 0.300 63 T C -0.510 174.214 174.700 0.039 0.000 0.989 63 T CA 0.102 62.239 62.100 0.062 0.000 1.139 63 T CB 0.579 69.460 68.868 0.022 0.000 0.920 63 T HN 0.156 nan 8.240 nan 0.000 0.537 64 H N 2.587 121.647 119.070 -0.016 0.000 2.821 64 H HA 0.298 4.854 4.556 0.000 0.000 0.262 64 H C 0.039 175.357 175.328 -0.016 0.000 1.402 64 H CA -0.478 55.562 56.048 -0.014 0.000 1.293 64 H CB -0.110 29.643 29.762 -0.015 0.000 1.533 64 H HN 0.382 nan 8.280 nan 0.000 0.528 65 L N 3.060 124.300 121.223 0.027 0.000 2.536 65 L HA 0.075 4.416 4.340 0.000 0.000 0.282 65 L C 0.808 177.687 176.870 0.014 0.000 1.147 65 L CA 0.277 55.125 54.840 0.014 0.000 0.936 65 L CB 0.060 42.113 42.059 -0.010 0.000 1.279 65 L HN 0.546 nan 8.230 nan 0.000 0.461 66 T N 0.668 115.239 114.554 0.029 0.000 2.937 66 T HA 0.102 4.452 4.350 0.000 0.000 0.283 66 T C 1.078 175.782 174.700 0.005 0.000 1.012 66 T CA -0.439 61.677 62.100 0.028 0.000 0.997 66 T CB 1.721 70.620 68.868 0.052 0.000 1.136 66 T HN 0.726 nan 8.240 nan 0.000 0.551 67 E N 0.282 120.483 120.200 0.003 0.000 2.065 67 E HA -0.233 4.117 4.350 0.000 0.000 0.201 67 E C 1.121 177.715 176.600 -0.009 0.000 1.016 67 E CA 2.339 58.736 56.400 -0.006 0.000 0.818 67 E CB -0.085 29.612 29.700 -0.005 0.000 0.749 67 E HN 0.644 nan 8.360 nan 0.000 0.453 68 D N -0.259 120.138 120.400 -0.005 0.000 2.144 68 D HA -0.131 4.509 4.640 0.000 0.000 0.199 68 D C 2.079 178.372 176.300 -0.013 0.000 0.984 68 D CA 1.155 55.149 54.000 -0.010 0.000 0.834 68 D CB -0.205 40.589 40.800 -0.009 0.000 0.955 68 D HN 0.158 nan 8.370 nan 0.000 0.465 69 V N 0.939 120.848 119.914 -0.009 0.000 2.307 69 V HA -0.188 3.933 4.120 0.000 0.000 0.245 69 V C 2.524 178.605 176.094 -0.021 0.000 1.045 69 V CA 1.045 63.338 62.300 -0.012 0.000 1.024 69 V CB -0.385 31.437 31.823 -0.002 0.000 0.651 69 V HN 0.122 nan 8.190 nan 0.000 0.449 70 I N 0.620 121.177 120.570 -0.022 0.000 2.226 70 I HA -0.218 3.953 4.170 0.000 0.000 0.245 70 I C 2.345 178.440 176.117 -0.037 0.000 1.100 70 I CA 1.428 62.708 61.300 -0.033 0.000 1.374 70 I CB -0.438 37.541 38.000 -0.034 0.000 1.057 70 I HN 0.323 nan 8.210 nan 0.000 0.413 71 N N 0.717 119.400 118.700 -0.029 0.000 2.364 71 N HA -0.097 4.644 4.740 0.000 0.000 0.183 71 N C 1.692 177.183 175.510 -0.032 0.000 1.022 71 N CA 1.367 54.400 53.050 -0.029 0.000 0.883 71 N CB -0.161 38.313 38.487 -0.022 0.000 0.965 71 N HN 0.382 nan 8.380 nan 0.000 0.438 72 A N 0.394 123.195 122.820 -0.032 0.000 2.030 72 A HA 0.346 4.666 4.320 0.000 0.000 0.215 72 A C 1.122 178.679 177.584 -0.045 0.000 1.164 72 A CA 0.291 52.308 52.037 -0.034 0.000 0.697 72 A CB -0.215 18.769 19.000 -0.028 0.000 0.827 72 A HN 0.207 nan 8.150 nan 0.000 0.457 73 A N 1.393 124.182 122.820 -0.052 0.000 2.505 73 A HA 0.316 4.636 4.320 0.000 0.000 0.271 73 A C 0.940 178.472 177.584 -0.087 0.000 1.112 73 A CA 0.410 52.404 52.037 -0.072 0.000 0.781 73 A CB -0.252 18.701 19.000 -0.078 0.000 1.059 73 A HN 0.644 nan 8.150 nan 0.000 0.508 74 E N 2.470 122.612 120.200 -0.096 0.000 2.447 74 E HA 0.028 4.378 4.350 0.000 0.000 0.195 74 E C 0.377 176.899 176.600 -0.130 0.000 1.028 74 E CA 0.436 56.780 56.400 -0.094 0.000 0.876 74 E CB 0.098 29.755 29.700 -0.071 0.000 0.885 74 E HN 0.693 nan 8.360 nan 0.000 0.500 75 K N 0.894 121.175 120.400 -0.199 0.000 2.506 75 K HA 0.205 4.526 4.320 0.000 0.000 0.204 75 K C -0.343 176.066 176.600 -0.318 0.000 1.045 75 K CA -0.431 55.682 56.287 -0.289 0.000 1.074 75 K CB 0.790 33.001 32.500 -0.481 0.000 0.842 75 K HN 0.036 nan 8.250 nan 0.000 0.514 76 L N 1.698 122.779 121.223 -0.236 0.000 2.315 76 L HA 0.064 4.404 4.340 0.000 0.000 0.283 76 L C 0.939 177.657 176.870 -0.252 0.000 1.089 76 L CA 0.304 54.990 54.840 -0.255 0.000 0.833 76 L CB 1.109 43.062 42.059 -0.177 0.000 1.170 76 L HN -0.146 nan 8.230 nan 0.000 0.442 77 V N 4.705 124.381 119.914 -0.396 0.000 2.575 77 V HA 0.424 4.545 4.120 0.000 0.000 0.242 77 V C 0.816 176.781 176.094 -0.215 0.000 1.045 77 V CA 1.033 63.137 62.300 -0.326 0.000 1.065 77 V CB -0.240 31.254 31.823 -0.547 0.000 0.717 77 V HN 0.896 nan 8.190 nan 0.000 0.467 78 A N -0.822 121.817 122.820 -0.302 0.000 2.610 78 A HA 0.780 5.100 4.320 0.000 0.000 0.291 78 A C -1.599 176.018 177.584 0.055 0.000 1.086 78 A CA -0.435 51.551 52.037 -0.086 0.000 0.677 78 A CB 1.429 20.542 19.000 0.188 0.000 1.278 78 A HN 0.100 nan 8.150 nan 0.000 0.414 79 I N 0.474 121.065 120.570 0.034 0.000 2.545 79 I HA 0.590 4.760 4.170 0.000 0.000 0.292 79 I C 0.491 176.699 176.117 0.152 0.000 1.040 79 I CA -0.552 60.800 61.300 0.088 0.000 1.068 79 I CB 2.547 40.539 38.000 -0.013 0.000 1.251 79 I HN 0.798 nan 8.210 nan 0.000 0.424 80 G N 4.244 113.180 108.800 0.227 0.000 2.588 80 G HA2 0.602 4.563 3.960 0.000 0.000 0.312 80 G HA3 0.602 4.563 3.960 0.000 0.000 0.312 80 G C -0.411 174.622 174.900 0.223 0.000 1.257 80 G CA -0.466 44.746 45.100 0.187 0.000 0.994 80 G HN 0.744 nan 8.290 nan 0.000 0.498 81 A N 2.918 125.788 122.820 0.084 0.000 2.805 81 A HA 0.484 4.805 4.320 0.000 0.000 0.301 81 A C -0.075 177.567 177.584 0.097 0.000 1.557 81 A CA -0.590 51.508 52.037 0.103 0.000 1.254 81 A CB -0.550 18.458 19.000 0.013 0.000 1.114 81 A HN 0.599 nan 8.150 nan 0.000 0.553 82 F N 1.834 121.792 119.950 0.013 0.000 2.546 82 F HA 0.336 4.863 4.527 0.000 0.000 0.379 82 F C 1.129 176.923 175.800 -0.010 0.000 1.179 82 F CA 1.099 59.103 58.000 0.007 0.000 1.337 82 F CB -0.789 38.228 39.000 0.028 0.000 1.764 82 F HN 0.667 nan 8.300 nan 0.000 0.673 83 A N 0.038 122.900 122.820 0.071 0.000 2.511 83 A HA 0.581 4.901 4.320 0.000 0.000 0.293 83 A C 0.541 178.098 177.584 -0.045 0.000 1.098 83 A CA -0.750 51.298 52.037 0.019 0.000 0.643 83 A CB 0.358 19.369 19.000 0.019 0.000 1.302 83 A HN 0.148 nan 8.150 nan 0.000 0.446 84 I N 0.761 121.298 120.570 -0.055 0.000 2.235 84 I HA 0.076 4.246 4.170 0.000 0.000 0.241 84 I C 1.883 177.957 176.117 -0.071 0.000 1.085 84 I CA 1.276 62.526 61.300 -0.084 0.000 1.378 84 I CB -0.515 37.448 38.000 -0.061 0.000 1.076 84 I HN 0.739 nan 8.210 nan 0.000 0.415 85 G N -0.507 108.265 108.800 -0.048 0.000 2.684 85 G HA2 0.205 4.165 3.960 0.000 0.000 0.255 85 G HA3 0.205 4.165 3.960 0.000 0.000 0.255 85 G C 0.380 175.252 174.900 -0.046 0.000 1.219 85 G CA 0.168 45.243 45.100 -0.040 0.000 0.901 85 G HN 0.170 nan 8.290 nan 0.000 0.548 86 T N -1.225 113.301 114.554 -0.048 0.000 3.328 86 T HA 0.083 4.433 4.350 0.000 0.000 0.297 86 T C 1.479 176.143 174.700 -0.061 0.000 0.882 86 T CA -0.164 61.903 62.100 -0.054 0.000 0.906 86 T CB -0.385 68.447 68.868 -0.060 0.000 1.210 86 T HN 0.560 nan 8.240 nan 0.000 0.631 87 N N 1.095 119.759 118.700 -0.060 0.000 2.550 87 N HA -0.071 4.669 4.740 0.000 0.000 0.186 87 N C 1.256 176.698 175.510 -0.114 0.000 1.110 87 N CA 0.575 53.585 53.050 -0.067 0.000 0.912 87 N CB 0.144 38.604 38.487 -0.046 0.000 0.968 87 N HN 0.388 nan 8.380 nan 0.000 0.448 88 Q N 0.060 119.768 119.800 -0.154 0.000 2.451 88 Q HA 0.136 4.476 4.340 0.000 0.000 0.206 88 Q C -0.131 175.765 176.000 -0.172 0.000 0.947 88 Q CA 0.437 56.078 55.803 -0.270 0.000 0.937 88 Q CB 0.387 28.963 28.738 -0.270 0.000 1.025 88 Q HN 0.071 nan 8.270 nan 0.000 0.511 89 V N 1.257 121.110 119.914 -0.101 0.000 2.555 89 V HA 0.227 4.347 4.120 0.000 0.000 0.302 89 V C -0.764 175.297 176.094 -0.054 0.000 1.038 89 V CA -1.178 61.083 62.300 -0.065 0.000 0.887 89 V CB 1.945 33.733 31.823 -0.057 0.000 0.991 89 V HN 0.037 nan 8.190 nan 0.000 0.434 90 D N 4.053 124.429 120.400 -0.040 0.000 2.411 90 D HA 0.198 4.839 4.640 0.000 0.000 0.225 90 D C 0.750 177.028 176.300 -0.036 0.000 1.156 90 D CA -0.355 53.627 54.000 -0.031 0.000 0.874 90 D CB 1.301 42.090 40.800 -0.017 0.000 1.034 90 D HN 0.203 nan 8.370 nan 0.000 0.502 91 L N 3.518 124.718 121.223 -0.040 0.000 1.994 91 L HA -0.149 4.191 4.340 0.000 0.000 0.208 91 L C 1.884 178.734 176.870 -0.032 0.000 1.071 91 L CA 1.503 56.316 54.840 -0.045 0.000 0.745 91 L CB -0.880 41.151 42.059 -0.046 0.000 0.892 91 L HN 0.489 nan 8.230 nan 0.000 0.431 92 D N -0.179 120.207 120.400 -0.024 0.000 2.133 92 D HA -0.217 4.423 4.640 0.000 0.000 0.195 92 D C 2.075 178.364 176.300 -0.018 0.000 0.997 92 D CA 1.624 55.612 54.000 -0.019 0.000 0.840 92 D CB 0.001 40.791 40.800 -0.017 0.000 0.947 92 D HN 0.372 nan 8.370 nan 0.000 0.452 93 A N 1.291 124.099 122.820 -0.020 0.000 1.969 93 A HA 0.069 4.389 4.320 0.000 0.000 0.218 93 A C 2.385 179.955 177.584 -0.023 0.000 1.169 93 A CA 1.777 53.803 52.037 -0.019 0.000 0.635 93 A CB -0.473 18.516 19.000 -0.018 0.000 0.810 93 A HN 0.260 nan 8.150 nan 0.000 0.445 94 A N -0.034 122.767 122.820 -0.031 0.000 1.898 94 A HA 0.233 4.553 4.320 0.000 0.000 0.216 94 A C 2.490 180.070 177.584 -0.006 0.000 1.181 94 A CA 1.843 53.855 52.037 -0.042 0.000 0.620 94 A CB -1.011 17.945 19.000 -0.073 0.000 0.819 94 A HN 0.952 nan 8.150 nan 0.000 0.442 95 A N 0.422 123.252 122.820 0.017 0.000 1.841 95 A HA -0.231 4.089 4.320 0.000 0.000 0.216 95 A C 2.047 179.647 177.584 0.027 0.000 1.199 95 A CA 1.999 54.074 52.037 0.064 0.000 0.621 95 A CB -0.685 18.320 19.000 0.010 0.000 0.835 95 A HN 0.527 nan 8.150 nan 0.000 0.445 96 K N -0.816 119.581 120.400 -0.006 0.000 2.228 96 K HA -0.171 4.149 4.320 0.000 0.000 0.205 96 K C 1.749 178.344 176.600 -0.009 0.000 1.045 96 K CA 1.557 57.835 56.287 -0.015 0.000 0.931 96 K CB -0.184 32.307 32.500 -0.015 0.000 0.727 96 K HN 0.337 nan 8.250 nan 0.000 0.458 97 R N -0.248 120.250 120.500 -0.003 0.000 2.359 97 R HA 0.049 4.389 4.340 0.000 0.000 0.231 97 R C 0.336 176.642 176.300 0.009 0.000 0.913 97 R CA 0.463 56.557 56.100 -0.009 0.000 1.075 97 R CB 0.737 31.021 30.300 -0.026 0.000 1.087 97 R HN 0.361 nan 8.270 nan 0.000 0.515 98 G N 2.117 110.956 108.800 0.064 0.000 2.272 98 G HA2 -0.253 3.707 3.960 0.000 0.000 0.280 98 G HA3 -0.253 3.707 3.960 0.000 0.000 0.280 98 G C -0.061 174.894 174.900 0.092 0.000 1.067 98 G CA -0.085 45.121 45.100 0.178 0.000 0.902 98 G HN 0.285 nan 8.290 nan 0.000 0.500 99 I N 1.955 122.526 120.570 0.002 0.000 2.390 99 I HA 0.296 4.467 4.170 0.000 0.000 0.283 99 I C -1.905 173.912 176.117 -0.500 0.000 1.016 99 I CA -2.473 58.686 61.300 -0.234 0.000 1.151 99 I CB 2.067 39.972 38.000 -0.157 0.000 1.293 99 I HN -0.039 nan 8.210 nan 0.000 0.458 100 P HA 0.173 nan 4.420 nan 0.000 0.277 100 P C -0.673 176.103 177.300 -0.872 0.000 1.240 100 P CA -0.253 62.051 63.100 -1.325 0.000 0.798 100 P CB 1.800 32.312 31.700 -1.981 0.000 0.979 101 V N 3.712 123.183 119.914 -0.738 0.000 2.384 101 V HA 0.334 4.454 4.120 0.000 0.000 0.287 101 V C 0.002 175.718 176.094 -0.630 0.000 1.020 101 V CA -0.260 61.741 62.300 -0.499 0.000 0.850 101 V CB 0.285 31.950 31.823 -0.264 0.000 0.987 101 V HN 0.360 nan 8.190 nan 0.000 0.436 102 F N 4.641 124.474 119.950 -0.195 0.000 2.450 102 F HA 0.694 5.222 4.527 0.000 0.000 0.328 102 F C 0.613 176.303 175.800 -0.183 0.000 1.068 102 F CA -0.412 57.474 58.000 -0.190 0.000 1.007 102 F CB 1.710 40.586 39.000 -0.205 0.000 1.251 102 F HN 0.688 nan 8.300 nan 0.000 0.492 103 N N 0.317 119.029 118.700 0.019 0.000 3.587 103 N HA 0.694 5.435 4.740 0.000 0.000 0.339 103 N C -1.993 173.422 175.510 -0.158 0.000 1.636 103 N CA -0.839 52.153 53.050 -0.097 0.000 0.788 103 N CB 1.272 39.697 38.487 -0.103 0.000 2.205 103 N HN 0.576 nan 8.380 nan 0.000 0.600 104 A N 0.083 122.788 122.820 -0.191 0.000 2.855 104 A HA 0.545 4.865 4.320 0.000 0.000 0.313 104 A C -2.277 175.126 177.584 -0.302 0.000 1.173 104 A CA -0.948 50.954 52.037 -0.226 0.000 0.753 104 A CB 1.026 19.920 19.000 -0.177 0.000 1.200 104 A HN 0.576 nan 8.150 nan 0.000 0.442 105 P HA 0.128 nan 4.420 nan 0.000 0.235 105 P C -0.048 176.769 177.300 -0.806 0.000 1.177 105 P CA 0.707 63.380 63.100 -0.711 0.000 0.785 105 P CB -0.047 31.077 31.700 -0.960 0.000 0.885 106 F N -1.041 118.796 119.950 -0.189 0.000 2.688 106 F HA 0.384 4.911 4.527 0.000 0.000 0.376 106 F C 1.138 176.842 175.800 -0.161 0.000 1.428 106 F CA -0.388 57.462 58.000 -0.251 0.000 1.156 106 F CB -0.482 38.180 39.000 -0.563 0.000 1.141 106 F HN -0.319 nan 8.300 nan 0.000 0.521 107 S N 0.312 116.000 115.700 -0.021 0.000 2.575 107 S HA -0.001 4.469 4.470 0.000 0.000 0.215 107 S C 1.089 175.694 174.600 0.009 0.000 0.966 107 S CA 0.018 58.214 58.200 -0.007 0.000 0.911 107 S CB -0.404 62.772 63.200 -0.040 0.000 0.780 107 S HN 0.649 nan 8.310 nan 0.000 0.514 108 N N 0.447 119.160 118.700 0.023 0.000 2.480 108 N HA 0.031 4.771 4.740 0.000 0.000 0.281 108 N C 1.003 176.537 175.510 0.039 0.000 1.381 108 N CA 0.271 53.338 53.050 0.029 0.000 0.903 108 N CB 0.356 38.861 38.487 0.030 0.000 1.274 108 N HN 0.189 nan 8.380 nan 0.000 0.505 109 T N -0.357 114.220 114.554 0.040 0.000 2.821 109 T HA -0.147 4.204 4.350 0.000 0.000 0.267 109 T C 2.000 176.706 174.700 0.010 0.000 1.046 109 T CA 0.954 63.074 62.100 0.033 0.000 1.139 109 T CB -0.053 68.836 68.868 0.036 0.000 0.871 109 T HN 0.117 nan 8.240 nan 0.000 0.454 110 R N 1.310 121.814 120.500 0.007 0.000 2.070 110 R HA 0.065 4.405 4.340 0.000 0.000 0.233 110 R C 2.728 179.034 176.300 0.011 0.000 1.137 110 R CA 2.026 58.125 56.100 -0.000 0.000 0.945 110 R CB -1.152 29.147 30.300 -0.001 0.000 0.845 110 R HN 0.426 nan 8.270 nan 0.000 0.430 111 S N -0.431 115.282 115.700 0.021 0.000 2.372 111 S HA -0.176 4.294 4.470 0.000 0.000 0.227 111 S C 1.919 176.543 174.600 0.040 0.000 1.044 111 S CA 1.689 59.907 58.200 0.030 0.000 1.050 111 S CB -0.458 62.763 63.200 0.036 0.000 0.901 111 S HN 0.196 nan 8.310 nan 0.000 0.447 112 V N 1.681 121.625 119.914 0.051 0.000 2.427 112 V HA -0.159 3.961 4.120 0.000 0.000 0.248 112 V C 2.569 178.703 176.094 0.066 0.000 1.051 112 V CA 1.538 63.883 62.300 0.075 0.000 1.048 112 V CB -1.229 30.659 31.823 0.109 0.000 0.666 112 V HN 0.545 nan 8.190 nan 0.000 0.456 113 A N -0.180 122.652 122.820 0.020 0.000 1.877 113 A HA -0.249 4.071 4.320 0.000 0.000 0.216 113 A C 2.186 179.780 177.584 0.016 0.000 1.186 113 A CA 1.932 53.965 52.037 -0.008 0.000 0.620 113 A CB -0.489 18.485 19.000 -0.044 0.000 0.822 113 A HN 0.607 nan 8.150 nan 0.000 0.443 114 E N -0.745 119.464 120.200 0.016 0.000 2.058 114 E HA -0.220 4.130 4.350 0.000 0.000 0.194 114 E C 1.983 178.600 176.600 0.028 0.000 0.997 114 E CA 1.303 57.714 56.400 0.018 0.000 0.801 114 E CB -0.343 29.367 29.700 0.015 0.000 0.746 114 E HN 0.503 nan 8.360 nan 0.000 0.450 115 L N 0.934 122.179 121.223 0.037 0.000 2.043 115 L HA -0.198 4.142 4.340 0.000 0.000 0.212 115 L C 2.262 179.158 176.870 0.044 0.000 1.075 115 L CA 1.403 56.267 54.840 0.040 0.000 0.752 115 L CB -0.256 41.831 42.059 0.047 0.000 0.891 115 L HN -0.054 nan 8.230 nan 0.000 0.432 116 V N -0.468 119.483 119.914 0.062 0.000 2.427 116 V HA -0.271 3.849 4.120 0.000 0.000 0.248 116 V C 2.473 178.597 176.094 0.051 0.000 1.051 116 V CA 1.482 63.825 62.300 0.072 0.000 1.048 116 V CB -0.553 31.347 31.823 0.129 0.000 0.666 116 V HN 0.365 nan 8.190 nan 0.000 0.456 117 I N 1.072 121.665 120.570 0.039 0.000 2.142 117 I HA -0.154 4.016 4.170 0.000 0.000 0.240 117 I C 2.690 178.821 176.117 0.024 0.000 1.078 117 I CA 2.090 63.407 61.300 0.027 0.000 1.343 117 I CB -1.849 36.161 38.000 0.016 0.000 1.046 117 I HN 0.382 nan 8.210 nan 0.000 0.405 118 G N 0.354 109.168 108.800 0.023 0.000 2.469 118 G HA2 -0.258 3.702 3.960 0.000 0.000 0.219 118 G HA3 -0.258 3.702 3.960 0.000 0.000 0.219 118 G C 1.605 176.518 174.900 0.022 0.000 1.150 118 G CA 0.689 45.801 45.100 0.020 0.000 0.763 118 G HN 0.443 nan 8.290 nan 0.000 0.561 119 E N 0.069 120.284 120.200 0.025 0.000 2.047 119 E HA -0.105 4.245 4.350 0.000 0.000 0.191 119 E C 2.527 179.141 176.600 0.024 0.000 0.987 119 E CA 1.198 57.611 56.400 0.023 0.000 0.799 119 E CB -0.215 29.498 29.700 0.022 0.000 0.752 119 E HN 0.540 nan 8.360 nan 0.000 0.449 120 L N -0.673 120.567 121.223 0.029 0.000 2.201 120 L HA -0.071 4.269 4.340 0.000 0.000 0.212 120 L C 1.991 178.880 176.870 0.031 0.000 1.105 120 L CA 1.357 56.215 54.840 0.030 0.000 0.775 120 L CB -0.594 41.486 42.059 0.035 0.000 0.913 120 L HN 0.014 nan 8.230 nan 0.000 0.440 121 L N -0.422 120.816 121.223 0.026 0.000 1.970 121 L HA -0.195 4.145 4.340 0.000 0.000 0.212 121 L C 2.679 179.563 176.870 0.023 0.000 1.071 121 L CA 1.645 56.499 54.840 0.024 0.000 0.751 121 L CB -0.572 41.498 42.059 0.017 0.000 0.889 121 L HN 0.331 nan 8.230 nan 0.000 0.432 122 L N -0.900 120.335 121.223 0.019 0.000 2.093 122 L HA -0.201 4.139 4.340 0.000 0.000 0.208 122 L C 2.527 179.406 176.870 0.016 0.000 1.085 122 L CA 0.905 55.753 54.840 0.014 0.000 0.755 122 L CB -0.479 41.587 42.059 0.012 0.000 0.904 122 L HN 0.296 nan 8.230 nan 0.000 0.435 123 L N -0.161 121.075 121.223 0.022 0.000 2.012 123 L HA -0.255 4.086 4.340 0.000 0.000 0.210 123 L C 2.527 179.419 176.870 0.035 0.000 1.073 123 L CA 1.335 56.189 54.840 0.024 0.000 0.748 123 L CB -0.455 41.617 42.059 0.022 0.000 0.891 123 L HN 0.249 nan 8.230 nan 0.000 0.431 124 L N -0.573 120.681 121.223 0.052 0.000 2.349 124 L HA -0.183 4.158 4.340 0.000 0.000 0.220 124 L C 2.046 178.957 176.870 0.068 0.000 1.130 124 L CA 0.864 55.760 54.840 0.094 0.000 0.791 124 L CB -0.283 41.845 42.059 0.114 0.000 0.918 124 L HN 0.239 nan 8.230 nan 0.000 0.444 125 R N -0.349 120.166 120.500 0.025 0.000 2.468 125 R HA 0.208 4.548 4.340 0.000 0.000 0.280 125 R C 1.060 177.341 176.300 -0.032 0.000 0.963 125 R CA 0.632 56.724 56.100 -0.013 0.000 1.083 125 R CB 0.510 30.802 30.300 -0.013 0.000 1.200 125 R HN 0.288 nan 8.270 nan 0.000 0.541 126 G N 1.136 109.927 108.800 -0.016 0.000 2.258 126 G HA2 -0.276 3.685 3.960 0.000 0.000 0.274 126 G HA3 -0.276 3.685 3.960 0.000 0.000 0.274 126 G C 0.857 175.741 174.900 -0.025 0.000 1.021 126 G CA 0.597 45.684 45.100 -0.020 0.000 0.798 126 G HN 0.243 nan 8.290 nan 0.000 0.507 127 V N 0.418 120.321 119.914 -0.017 0.000 2.488 127 V HA -0.058 4.062 4.120 0.000 0.000 0.246 127 V C 0.819 176.911 176.094 -0.002 0.000 1.046 127 V CA 2.381 64.669 62.300 -0.020 0.000 1.053 127 V CB -0.431 31.383 31.823 -0.016 0.000 0.679 127 V HN 0.387 nan 8.190 nan 0.000 0.458 128 P HA -0.179 nan 4.420 nan 0.000 0.216 128 P C 1.610 178.927 177.300 0.029 0.000 1.153 128 P CA 1.489 64.603 63.100 0.023 0.000 0.848 128 P CB 0.103 31.821 31.700 0.030 0.000 0.787 129 E N 0.108 120.324 120.200 0.027 0.000 2.038 129 E HA -0.227 4.123 4.350 0.000 0.000 0.195 129 E C 1.930 178.535 176.600 0.009 0.000 1.000 129 E CA 1.614 58.031 56.400 0.028 0.000 0.803 129 E CB -0.740 28.976 29.700 0.027 0.000 0.750 129 E HN 0.075 nan 8.360 nan 0.000 0.448 130 A N 0.991 123.797 122.820 -0.023 0.000 2.067 130 A HA -0.185 4.135 4.320 0.000 0.000 0.219 130 A C 2.025 179.590 177.584 -0.031 0.000 1.158 130 A CA 1.464 53.462 52.037 -0.064 0.000 0.661 130 A CB -0.699 18.223 19.000 -0.130 0.000 0.801 130 A HN 0.476 nan 8.150 nan 0.000 0.452 131 N N 0.107 118.816 118.700 0.016 0.000 2.333 131 N HA -0.026 4.714 4.740 0.000 0.000 0.178 131 N C 1.905 177.526 175.510 0.185 0.000 1.018 131 N CA 1.038 54.144 53.050 0.092 0.000 0.882 131 N CB -0.138 38.403 38.487 0.091 0.000 0.984 131 N HN 0.317 nan 8.380 nan 0.000 0.434 132 A N 1.758 124.637 122.820 0.098 0.000 1.883 132 A HA -0.153 4.167 4.320 0.000 0.000 0.217 132 A C 2.205 179.853 177.584 0.107 0.000 1.186 132 A CA 1.388 53.478 52.037 0.088 0.000 0.624 132 A CB -0.483 18.549 19.000 0.053 0.000 0.822 132 A HN 0.333 nan 8.150 nan 0.000 0.444 133 K N -0.374 120.069 120.400 0.071 0.000 2.032 133 K HA -0.096 4.224 4.320 0.000 0.000 0.209 133 K C 2.279 178.923 176.600 0.073 0.000 1.048 133 K CA 1.259 57.583 56.287 0.061 0.000 0.927 133 K CB -0.358 32.162 32.500 0.033 0.000 0.712 133 K HN 0.452 nan 8.250 nan 0.000 0.441 134 A N 1.086 123.938 122.820 0.054 0.000 1.972 134 A HA -0.175 4.146 4.320 0.000 0.000 0.219 134 A C 1.689 179.265 177.584 -0.013 0.000 1.169 134 A CA 1.276 53.321 52.037 0.013 0.000 0.635 134 A CB -0.662 18.300 19.000 -0.063 0.000 0.810 134 A HN 0.331 nan 8.150 nan 0.000 0.446 135 H N -0.884 118.206 119.070 0.032 0.000 2.546 135 H HA 0.059 4.615 4.556 0.000 0.000 0.277 135 H C 1.275 176.624 175.328 0.035 0.000 1.004 135 H CA 0.902 56.970 56.048 0.033 0.000 1.231 135 H CB 0.146 29.923 29.762 0.024 0.000 1.382 135 H HN 0.452 nan 8.280 nan 0.000 0.580 136 R N -0.203 120.373 120.500 0.127 0.000 2.359 136 R HA 0.090 4.430 4.340 0.000 0.000 0.231 136 R C 1.187 177.528 176.300 0.068 0.000 0.913 136 R CA 0.419 56.571 56.100 0.087 0.000 1.075 136 R CB 0.771 31.115 30.300 0.074 0.000 1.087 136 R HN 0.370 nan 8.270 nan 0.000 0.515 137 G N 1.048 109.888 108.800 0.066 0.000 2.267 137 G HA2 -0.301 3.660 3.960 0.000 0.000 0.257 137 G HA3 -0.301 3.660 3.960 0.000 0.000 0.257 137 G C 0.212 175.168 174.900 0.094 0.000 0.998 137 G CA 0.363 45.503 45.100 0.067 0.000 0.620 137 G HN 0.315 nan 8.290 nan 0.000 0.529 138 V N 1.475 121.447 119.914 0.097 0.000 2.583 138 V HA 0.658 4.778 4.120 0.000 0.000 0.287 138 V C 0.163 176.366 176.094 0.181 0.000 1.051 138 V CA -0.581 61.793 62.300 0.124 0.000 1.010 138 V CB 1.308 33.184 31.823 0.089 0.000 0.988 138 V HN 0.651 nan 8.190 nan 0.000 0.478 139 W N 7.789 129.090 121.300 0.001 0.000 2.299 139 W HA 0.501 5.161 4.660 0.000 0.000 0.319 139 W C -1.033 175.487 176.519 0.002 0.000 1.008 139 W CA -0.821 56.523 57.345 -0.002 0.000 1.384 139 W CB 0.950 30.405 29.460 -0.007 0.000 1.220 139 W HN 0.757 nan 8.180 nan 0.000 0.402 140 N N 5.514 124.154 118.700 -0.101 0.000 2.904 140 N HA 0.012 4.753 4.740 0.000 0.000 0.257 140 N C -0.460 174.925 175.510 -0.208 0.000 1.363 140 N CA -0.243 52.765 53.050 -0.070 0.000 0.856 140 N CB 1.012 39.488 38.487 -0.018 0.000 1.166 140 N HN 0.278 nan 8.380 nan 0.000 0.499 141 K N 3.140 123.362 120.400 -0.296 0.000 2.237 141 K HA 0.107 4.427 4.320 0.000 0.000 0.283 141 K C -0.684 175.863 176.600 -0.088 0.000 1.080 141 K CA 0.082 56.225 56.287 -0.239 0.000 0.965 141 K CB 0.110 32.497 32.500 -0.189 0.000 1.098 141 K HN 0.440 nan 8.250 nan 0.000 0.434 142 L N 4.942 126.110 121.223 -0.092 0.000 2.599 142 L HA 0.279 4.620 4.340 0.000 0.000 0.241 142 L C 0.834 177.658 176.870 -0.077 0.000 1.207 142 L CA -0.432 54.373 54.840 -0.059 0.000 0.987 142 L CB 1.116 43.148 42.059 -0.046 0.000 1.318 142 L HN 0.773 nan 8.230 nan 0.000 0.458 143 A N 1.011 123.784 122.820 -0.078 0.000 2.167 143 A HA 0.078 4.399 4.320 0.000 0.000 0.214 143 A C 2.361 179.860 177.584 -0.142 0.000 1.151 143 A CA 1.152 53.124 52.037 -0.107 0.000 0.735 143 A CB -0.006 18.943 19.000 -0.085 0.000 0.802 143 A HN 0.654 nan 8.150 nan 0.000 0.467 144 A N -0.319 122.435 122.820 -0.110 0.000 1.958 144 A HA -0.004 4.316 4.320 0.000 0.000 0.221 144 A C 2.031 179.488 177.584 -0.211 0.000 1.178 144 A CA 1.934 53.901 52.037 -0.117 0.000 0.642 144 A CB -0.831 18.132 19.000 -0.062 0.000 0.816 144 A HN 0.907 nan 8.150 nan 0.000 0.453 145 G N -1.440 107.214 108.800 -0.244 0.000 3.453 145 G HA2 0.400 4.360 3.960 0.000 0.000 0.263 145 G HA3 0.400 4.360 3.960 0.000 0.000 0.263 145 G C 0.145 174.677 174.900 -0.612 0.000 1.060 145 G CA 0.414 45.301 45.100 -0.354 0.000 0.793 145 G HN 0.328 nan 8.290 nan 0.000 0.532 146 S N 0.343 115.717 115.700 -0.543 0.000 2.565 146 S HA 0.686 5.157 4.470 0.000 0.000 0.274 146 S C -0.931 173.249 174.600 -0.700 0.000 1.309 146 S CA 0.002 57.933 58.200 -0.448 0.000 1.043 146 S CB 0.828 63.894 63.200 -0.222 0.000 0.939 146 S HN 0.171 nan 8.310 nan 0.000 0.504 147 F N 0.538 120.483 119.950 -0.008 0.000 2.603 147 F HA 0.398 4.926 4.527 0.000 0.000 0.317 147 F C 0.468 176.263 175.800 -0.008 0.000 1.066 147 F CA -1.123 56.874 58.000 -0.005 0.000 0.941 147 F CB 1.256 40.255 39.000 -0.002 0.000 1.291 147 F HN 0.450 nan 8.300 nan 0.000 0.472 148 E N 0.239 120.572 120.200 0.220 0.000 2.343 148 E HA 0.452 4.802 4.350 0.000 0.000 0.269 148 E C 0.303 176.957 176.600 0.090 0.000 1.047 148 E CA -0.158 56.308 56.400 0.109 0.000 0.874 148 E CB 1.396 31.138 29.700 0.070 0.000 1.033 148 E HN 0.719 nan 8.360 nan 0.000 0.409 149 A N 3.461 126.307 122.820 0.043 0.000 1.969 149 A HA -0.140 4.181 4.320 0.000 0.000 0.218 149 A C 1.353 178.916 177.584 -0.036 0.000 1.169 149 A CA 0.776 52.819 52.037 0.009 0.000 0.635 149 A CB -0.259 18.743 19.000 0.002 0.000 0.810 149 A HN 0.634 nan 8.150 nan 0.000 0.445 150 R N -0.664 119.812 120.500 -0.041 0.000 2.623 150 R HA 0.305 4.645 4.340 0.000 0.000 0.271 150 R C 1.071 177.300 176.300 -0.118 0.000 1.043 150 R CA 0.954 56.997 56.100 -0.095 0.000 1.083 150 R CB -0.085 30.173 30.300 -0.069 0.000 0.974 150 R HN 0.848 nan 8.270 nan 0.000 0.436 151 G N 2.094 110.745 108.800 -0.249 0.000 2.205 151 G HA2 -0.300 3.660 3.960 0.000 0.000 0.261 151 G HA3 -0.300 3.660 3.960 0.000 0.000 0.261 151 G C -0.199 174.632 174.900 -0.114 0.000 0.980 151 G CA 0.681 45.652 45.100 -0.214 0.000 0.632 151 G HN 0.577 nan 8.290 nan 0.000 0.533 152 K N 0.207 120.532 120.400 -0.125 0.000 2.168 152 K HA 0.704 5.024 4.320 0.000 0.000 0.239 152 K C 0.104 176.738 176.600 0.057 0.000 0.999 152 K CA -0.514 55.762 56.287 -0.018 0.000 0.900 152 K CB 0.893 33.361 32.500 -0.053 0.000 1.111 152 K HN 0.134 nan 8.250 nan 0.000 0.452 153 K N 1.568 122.042 120.400 0.124 0.000 2.293 153 K HA 0.295 4.615 4.320 0.000 0.000 0.267 153 K C -1.113 175.585 176.600 0.164 0.000 1.010 153 K CA -0.783 55.640 56.287 0.226 0.000 0.875 153 K CB 1.003 33.682 32.500 0.298 0.000 1.106 153 K HN 0.185 nan 8.250 nan 0.000 0.450 154 L N 2.427 123.748 121.223 0.164 0.000 2.265 154 L HA 0.405 4.745 4.340 0.000 0.000 0.288 154 L C -0.038 176.956 176.870 0.207 0.000 1.058 154 L CA 0.186 55.112 54.840 0.143 0.000 0.809 154 L CB 1.048 43.170 42.059 0.106 0.000 1.179 154 L HN 0.683 nan 8.230 nan 0.000 0.429 155 G N 6.744 115.650 108.800 0.177 0.000 2.377 155 G HA2 0.511 4.472 3.960 0.000 0.000 0.316 155 G HA3 0.511 4.472 3.960 0.000 0.000 0.316 155 G C -0.514 174.509 174.900 0.204 0.000 1.115 155 G CA -0.433 44.783 45.100 0.194 0.000 0.952 155 G HN 0.621 nan 8.290 nan 0.000 0.441 156 I N 2.524 123.256 120.570 0.270 0.000 2.353 156 I HA 0.331 4.502 4.170 0.000 0.000 0.293 156 I C -0.125 176.193 176.117 0.334 0.000 0.992 156 I CA -0.533 60.952 61.300 0.308 0.000 1.268 156 I CB 1.805 40.008 38.000 0.339 0.000 1.387 156 I HN 0.244 nan 8.210 nan 0.000 0.478 157 I N 5.806 126.554 120.570 0.298 0.000 2.359 157 I HA 0.453 4.624 4.170 0.000 0.000 0.284 157 I C 0.283 176.553 176.117 0.255 0.000 1.018 157 I CA -0.311 61.161 61.300 0.288 0.000 1.173 157 I CB 1.356 39.487 38.000 0.218 0.000 1.326 157 I HN 0.850 nan 8.210 nan 0.000 0.462 158 G N 4.672 113.611 108.800 0.232 0.000 2.859 158 G HA2 -0.261 3.699 3.960 0.000 0.000 0.251 158 G HA3 -0.261 3.699 3.960 0.000 0.000 0.251 158 G C -0.684 174.300 174.900 0.141 0.000 0.978 158 G CA -0.806 44.395 45.100 0.168 0.000 1.270 158 G HN 0.594 nan 8.290 nan 0.000 0.601 159 Y N 2.217 122.447 120.300 -0.116 0.000 2.971 159 Y HA 0.461 5.011 4.550 0.001 0.000 0.384 159 Y C 1.253 176.974 175.900 -0.299 0.000 1.166 159 Y CA 0.433 58.323 58.100 -0.350 0.000 1.973 159 Y CB -0.296 37.617 38.460 -0.911 0.000 2.082 159 Y HN 0.578 nan 8.280 nan 0.000 0.420 160 G N 0.127 108.775 108.800 -0.254 0.000 2.773 160 G HA2 0.011 3.972 3.960 0.000 0.000 0.186 160 G HA3 0.011 3.972 3.960 0.000 0.000 0.186 160 G C 0.872 175.542 174.900 -0.384 0.000 1.411 160 G CA -0.227 44.711 45.100 -0.269 0.000 1.054 160 G HN 0.514 nan 8.290 nan 0.000 0.579 161 H N -0.712 118.188 119.070 -0.284 0.000 2.321 161 H HA -0.052 4.504 4.556 0.001 0.000 0.300 161 H C 2.635 177.815 175.328 -0.248 0.000 1.087 161 H CA 1.691 57.559 56.048 -0.300 0.000 1.319 161 H CB 0.105 29.691 29.762 -0.294 0.000 1.379 161 H HN 0.198 nan 8.280 nan 0.000 0.501 162 I N 0.173 120.715 120.570 -0.046 0.000 2.193 162 I HA -0.127 4.043 4.170 0.000 0.000 0.240 162 I C 2.926 178.838 176.117 -0.343 0.000 1.084 162 I CA 0.939 62.149 61.300 -0.150 0.000 1.365 162 I CB -0.576 37.380 38.000 -0.073 0.000 1.064 162 I HN 0.219 nan 8.210 nan 0.000 0.410 163 G N 0.967 109.546 108.800 -0.367 0.000 2.513 163 G HA2 -0.366 3.594 3.960 0.000 0.000 0.219 163 G HA3 -0.366 3.594 3.960 0.000 0.000 0.219 163 G C 1.725 176.388 174.900 -0.396 0.000 1.160 163 G CA 1.964 46.857 45.100 -0.346 0.000 0.767 163 G HN 0.476 nan 8.290 nan 0.000 0.571 164 T N -1.554 112.598 114.554 -0.671 0.000 2.777 164 T HA -0.106 4.245 4.350 0.000 0.000 0.266 164 T C 2.256 176.766 174.700 -0.317 0.000 1.040 164 T CA 1.716 63.351 62.100 -0.775 0.000 1.141 164 T CB -0.262 68.060 68.868 -0.910 0.000 0.868 164 T HN 0.364 nan 8.240 nan 0.000 0.444 165 Q N 0.596 120.242 119.800 -0.256 0.000 2.084 165 Q HA 0.010 4.351 4.340 0.000 0.000 0.202 165 Q C 2.172 178.106 176.000 -0.110 0.000 0.978 165 Q CA 1.104 56.818 55.803 -0.149 0.000 0.844 165 Q CB -0.688 27.978 28.738 -0.120 0.000 0.898 165 Q HN 0.472 nan 8.270 nan 0.000 0.426 166 L N 0.015 121.152 121.223 -0.144 0.000 1.990 166 L HA -0.068 4.272 4.340 0.000 0.000 0.213 166 L C 2.110 178.966 176.870 -0.023 0.000 1.072 166 L CA 2.606 57.389 54.840 -0.095 0.000 0.755 166 L CB -1.298 40.664 42.059 -0.162 0.000 0.889 166 L HN 0.351 nan 8.230 nan 0.000 0.432 167 G N -0.514 108.295 108.800 0.015 0.000 2.440 167 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 167 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 167 G C 1.635 176.563 174.900 0.046 0.000 1.154 167 G CA 1.237 46.392 45.100 0.093 0.000 0.767 167 G HN 0.494 nan 8.290 nan 0.000 0.552 168 I N 0.380 120.958 120.570 0.013 0.000 2.113 168 I HA -0.168 4.002 4.170 0.000 0.000 0.238 168 I C 2.777 178.888 176.117 -0.009 0.000 1.070 168 I CA 0.830 62.130 61.300 -0.001 0.000 1.332 168 I CB -0.359 37.628 38.000 -0.022 0.000 1.044 168 I HN 0.111 nan 8.210 nan 0.000 0.402 169 L N 0.614 121.827 121.223 -0.017 0.000 2.013 169 L HA -0.285 4.055 4.340 0.000 0.000 0.212 169 L C 2.819 179.682 176.870 -0.011 0.000 1.073 169 L CA 1.590 56.422 54.840 -0.014 0.000 0.753 169 L CB -0.846 41.204 42.059 -0.015 0.000 0.890 169 L HN 0.311 nan 8.230 nan 0.000 0.432 170 A N -0.484 122.333 122.820 -0.005 0.000 1.972 170 A HA -0.204 4.116 4.320 0.000 0.000 0.219 170 A C 2.170 179.736 177.584 -0.030 0.000 1.169 170 A CA 1.598 53.629 52.037 -0.009 0.000 0.635 170 A CB -0.369 18.636 19.000 0.009 0.000 0.810 170 A HN 0.501 nan 8.150 nan 0.000 0.446 171 E N -0.108 120.079 120.200 -0.022 0.000 2.107 171 E HA -0.085 4.265 4.350 0.000 0.000 0.191 171 E C 2.142 178.718 176.600 -0.041 0.000 0.982 171 E CA 1.094 57.473 56.400 -0.036 0.000 0.809 171 E CB -0.182 29.511 29.700 -0.012 0.000 0.756 171 E HN 0.578 nan 8.360 nan 0.000 0.459 172 S N 1.088 116.772 115.700 -0.027 0.000 2.419 172 S HA -0.080 4.390 4.470 0.000 0.000 0.235 172 S C 1.652 176.231 174.600 -0.034 0.000 1.019 172 S CA 0.643 58.827 58.200 -0.026 0.000 0.982 172 S CB 0.023 63.212 63.200 -0.018 0.000 0.789 172 S HN 0.203 nan 8.310 nan 0.000 0.490 173 L N 0.469 121.667 121.223 -0.041 0.000 2.591 173 L HA 0.171 4.511 4.340 0.000 0.000 0.228 173 L C 1.607 178.432 176.870 -0.075 0.000 1.133 173 L CA 0.850 55.663 54.840 -0.045 0.000 0.880 173 L CB -1.169 40.870 42.059 -0.034 0.000 1.033 173 L HN 0.524 nan 8.230 nan 0.000 0.450 174 G N 0.429 109.168 108.800 -0.101 0.000 2.137 174 G HA2 -0.279 3.682 3.960 0.000 0.000 0.237 174 G HA3 -0.279 3.682 3.960 0.000 0.000 0.237 174 G C 0.327 175.046 174.900 -0.301 0.000 1.002 174 G CA 0.146 45.146 45.100 -0.167 0.000 0.702 174 G HN 0.292 nan 8.290 nan 0.000 0.515 175 M N -0.645 118.805 119.600 -0.250 0.000 2.368 175 M HA 0.564 5.044 4.480 0.000 0.000 0.311 175 M C -0.026 176.054 176.300 -0.366 0.000 1.168 175 M CA -0.701 54.414 55.300 -0.308 0.000 1.044 175 M CB 0.761 33.289 32.600 -0.120 0.000 1.506 175 M HN 0.061 nan 8.290 nan 0.000 0.475 176 Y N 0.461 120.732 120.300 -0.047 0.000 2.341 176 Y HA 0.401 4.951 4.550 0.000 0.000 0.340 176 Y C -0.037 175.737 175.900 -0.210 0.000 0.997 176 Y CA -0.874 57.140 58.100 -0.144 0.000 1.149 176 Y CB 0.446 38.833 38.460 -0.122 0.000 1.171 176 Y HN 0.244 nan 8.280 nan 0.000 0.494 177 V N 5.259 125.095 119.914 -0.131 0.000 2.407 177 V HA 0.313 4.433 4.120 0.000 0.000 0.278 177 V C -0.792 175.100 176.094 -0.337 0.000 1.037 177 V CA -0.928 61.308 62.300 -0.105 0.000 0.900 177 V CB 0.338 32.171 31.823 0.017 0.000 0.983 177 V HN 0.547 nan 8.190 nan 0.000 0.459 178 Y N 4.980 125.329 120.300 0.082 0.000 2.462 178 Y HA 0.749 5.299 4.550 0.001 0.000 0.346 178 Y C -0.224 175.721 175.900 0.075 0.000 0.976 178 Y CA -1.131 56.961 58.100 -0.013 0.000 1.044 178 Y CB 2.047 40.490 38.460 -0.028 0.000 1.230 178 Y HN 0.661 nan 8.280 nan 0.000 0.455 179 F N 0.665 120.659 119.950 0.074 0.000 2.588 179 F HA 0.682 5.210 4.527 0.001 0.000 0.310 179 F C -1.947 173.914 175.800 0.102 0.000 1.082 179 F CA -1.725 56.302 58.000 0.045 0.000 0.929 179 F CB 1.397 40.321 39.000 -0.126 0.000 1.254 179 F HN 0.400 nan 8.300 nan 0.000 0.455 180 Y N 2.389 122.831 120.300 0.238 0.000 2.335 180 Y HA 0.589 5.139 4.550 0.001 0.000 0.338 180 Y C -1.521 174.526 175.900 0.245 0.000 0.977 180 Y CA -0.731 57.464 58.100 0.158 0.000 1.114 180 Y CB 1.110 39.608 38.460 0.064 0.000 1.182 180 Y HN 0.831 nan 8.280 nan 0.000 0.463 181 D N 5.576 125.701 120.400 -0.459 0.000 2.879 181 D HA 0.175 4.815 4.640 0.000 0.000 0.236 181 D C 0.902 176.846 176.300 -0.594 0.000 1.171 181 D CA -0.430 53.338 54.000 -0.387 0.000 0.868 181 D CB 1.624 42.429 40.800 0.008 0.000 1.598 181 D HN 0.758 nan 8.370 nan 0.000 0.497 182 I N 0.520 120.837 120.570 -0.422 0.000 2.657 182 I HA -0.033 4.138 4.170 0.000 0.000 0.261 182 I C 0.820 176.875 176.117 -0.103 0.000 1.212 182 I CA 0.768 61.938 61.300 -0.217 0.000 1.453 182 I CB -0.178 37.790 38.000 -0.054 0.000 1.092 182 I HN 0.297 nan 8.210 nan 0.000 0.452 183 E N 1.835 121.989 120.200 -0.077 0.000 2.263 183 E HA 0.321 4.671 4.350 0.000 0.000 0.264 183 E C -0.810 175.794 176.600 0.006 0.000 0.923 183 E CA -0.993 55.393 56.400 -0.023 0.000 0.802 183 E CB 1.179 30.877 29.700 -0.005 0.000 1.228 183 E HN 0.212 nan 8.360 nan 0.000 0.417 184 N N 1.361 120.076 118.700 0.025 0.000 2.530 184 N HA 0.157 4.897 4.740 0.000 0.000 0.273 184 N C -1.240 174.320 175.510 0.084 0.000 1.173 184 N CA -0.117 52.967 53.050 0.056 0.000 0.967 184 N CB 0.635 39.145 38.487 0.039 0.000 1.109 184 N HN 0.330 nan 8.380 nan 0.000 0.453 185 K N 2.308 122.801 120.400 0.155 0.000 2.482 185 K HA 0.293 4.613 4.320 0.000 0.000 0.257 185 K C -1.256 175.458 176.600 0.191 0.000 0.969 185 K CA -0.841 55.543 56.287 0.162 0.000 0.842 185 K CB 1.717 34.338 32.500 0.202 0.000 1.359 185 K HN 0.458 nan 8.250 nan 0.000 0.441 186 L N 4.177 125.482 121.223 0.137 0.000 2.283 186 L HA 0.290 4.630 4.340 0.000 0.000 0.287 186 L C -2.201 174.791 176.870 0.204 0.000 1.073 186 L CA -1.392 53.527 54.840 0.132 0.000 0.822 186 L CB 0.444 42.543 42.059 0.067 0.000 1.186 186 L HN 0.298 nan 8.230 nan 0.000 0.436 187 P HA 0.141 nan 4.420 nan 0.000 0.266 187 P C -0.719 176.705 177.300 0.207 0.000 1.193 187 P CA 0.055 63.321 63.100 0.277 0.000 0.770 187 P CB 0.673 32.489 31.700 0.193 0.000 0.836 188 L N 1.207 122.581 121.223 0.251 0.000 2.334 188 L HA 0.613 4.953 4.340 0.000 0.000 0.270 188 L C 1.612 178.544 176.870 0.103 0.000 1.018 188 L CA -0.242 54.678 54.840 0.135 0.000 0.811 188 L CB 0.642 42.756 42.059 0.092 0.000 1.271 188 L HN 0.672 nan 8.230 nan 0.000 0.443 189 G N 1.337 110.171 108.800 0.057 0.000 2.684 189 G HA2 -0.402 3.558 3.960 0.000 0.000 0.332 189 G HA3 -0.402 3.558 3.960 0.000 0.000 0.332 189 G C 0.373 175.296 174.900 0.039 0.000 1.306 189 G CA 0.958 46.082 45.100 0.040 0.000 1.002 189 G HN 0.854 nan 8.290 nan 0.000 0.545 190 N N 1.731 120.448 118.700 0.028 0.000 2.321 190 N HA 0.529 5.269 4.740 0.000 0.000 0.242 190 N C 0.748 176.242 175.510 -0.026 0.000 1.141 190 N CA -0.000 53.053 53.050 0.005 0.000 0.864 190 N CB 0.637 39.129 38.487 0.007 0.000 1.100 190 N HN 0.825 nan 8.380 nan 0.000 0.510 191 A N 0.627 123.460 122.820 0.021 0.000 2.433 191 A HA 0.323 4.643 4.320 0.000 0.000 0.250 191 A C 0.338 177.868 177.584 -0.090 0.000 1.113 191 A CA 0.539 52.584 52.037 0.013 0.000 0.794 191 A CB 0.287 19.390 19.000 0.170 0.000 1.067 191 A HN 0.152 nan 8.150 nan 0.000 0.510 192 T N 0.748 115.156 114.554 -0.242 0.000 3.293 192 T HA 0.329 4.679 4.350 0.000 0.000 0.320 192 T C -0.628 173.657 174.700 -0.693 0.000 0.995 192 T CA -0.391 61.520 62.100 -0.316 0.000 1.041 192 T CB 1.152 69.938 68.868 -0.137 0.000 1.058 192 T HN 0.759 nan 8.240 nan 0.000 0.453 193 Q N 2.385 121.665 119.800 -0.867 0.000 2.327 193 Q HA 0.562 4.902 4.340 0.000 0.000 0.254 193 Q C -0.965 174.793 176.000 -0.403 0.000 0.952 193 Q CA -0.263 54.917 55.803 -1.039 0.000 0.884 193 Q CB 0.670 29.003 28.738 -0.674 0.000 1.224 193 Q HN 0.478 nan 8.270 nan 0.000 0.422 194 V N 4.220 123.972 119.914 -0.271 0.000 2.495 194 V HA 0.082 4.203 4.120 0.000 0.000 0.298 194 V C 0.280 176.400 176.094 0.044 0.000 1.031 194 V CA -0.680 61.570 62.300 -0.083 0.000 0.871 194 V CB 1.665 33.450 31.823 -0.063 0.000 0.988 194 V HN 0.869 nan 8.190 nan 0.000 0.432 195 Q N 1.758 121.591 119.800 0.056 0.000 1.965 195 Q HA -0.003 4.338 4.340 0.000 0.000 0.200 195 Q C 0.988 177.147 176.000 0.264 0.000 0.981 195 Q CA 1.571 57.452 55.803 0.129 0.000 0.834 195 Q CB -0.114 28.668 28.738 0.073 0.000 0.900 195 Q HN 0.771 nan 8.270 nan 0.000 0.426 196 H N -0.423 118.678 119.070 0.052 0.000 2.496 196 H HA 0.138 4.694 4.556 0.000 0.000 0.342 196 H C 0.783 175.999 175.328 -0.187 0.000 1.170 196 H CA -0.407 55.625 56.048 -0.027 0.000 1.274 196 H CB 0.888 30.618 29.762 -0.053 0.000 1.538 196 H HN 0.183 nan 8.280 nan 0.000 0.542 197 L N 2.172 122.848 121.223 -0.913 0.000 2.291 197 L HA -0.125 4.215 4.340 0.000 0.000 0.214 197 L C 2.042 178.619 176.870 -0.488 0.000 1.120 197 L CA 0.671 54.972 54.840 -0.898 0.000 0.799 197 L CB -0.161 41.247 42.059 -1.086 0.000 0.925 197 L HN 0.591 nan 8.230 nan 0.000 0.446 198 S N -0.064 115.370 115.700 -0.444 0.000 2.383 198 S HA -0.185 4.286 4.470 0.000 0.000 0.229 198 S C 1.369 175.908 174.600 -0.102 0.000 1.030 198 S CA 1.462 59.567 58.200 -0.157 0.000 1.002 198 S CB -0.206 63.042 63.200 0.081 0.000 0.829 198 S HN 0.538 nan 8.310 nan 0.000 0.467 199 D N 1.190 121.536 120.400 -0.090 0.000 2.103 199 D HA -0.018 4.622 4.640 0.000 0.000 0.199 199 D C 2.015 178.226 176.300 -0.148 0.000 0.978 199 D CA 0.513 54.453 54.000 -0.102 0.000 0.829 199 D CB -0.526 40.221 40.800 -0.088 0.000 0.981 199 D HN 0.213 nan 8.370 nan 0.000 0.464 200 L N 0.802 121.936 121.223 -0.148 0.000 1.978 200 L HA -0.238 4.103 4.340 0.000 0.000 0.218 200 L C 2.242 179.049 176.870 -0.105 0.000 1.075 200 L CA 1.409 56.174 54.840 -0.126 0.000 0.767 200 L CB -0.457 41.564 42.059 -0.064 0.000 0.890 200 L HN -0.044 nan 8.230 nan 0.000 0.434 201 L N -0.339 120.819 121.223 -0.109 0.000 2.079 201 L HA -0.247 4.093 4.340 0.000 0.000 0.210 201 L C 2.237 179.069 176.870 -0.062 0.000 1.081 201 L CA 1.859 56.653 54.840 -0.077 0.000 0.752 201 L CB -1.337 40.669 42.059 -0.088 0.000 0.896 201 L HN 0.422 nan 8.230 nan 0.000 0.433 202 N N -0.783 117.873 118.700 -0.074 0.000 2.188 202 N HA -0.162 4.578 4.740 0.000 0.000 0.184 202 N C 1.702 177.167 175.510 -0.074 0.000 1.018 202 N CA 1.359 54.372 53.050 -0.061 0.000 0.858 202 N CB -0.064 38.384 38.487 -0.064 0.000 0.989 202 N HN 0.450 nan 8.380 nan 0.000 0.426 203 M N -1.307 118.227 119.600 -0.111 0.000 2.465 203 M HA 0.287 4.767 4.480 0.000 0.000 0.249 203 M C -0.123 176.127 176.300 -0.083 0.000 1.130 203 M CA 0.251 55.475 55.300 -0.127 0.000 1.067 203 M CB 0.657 33.116 32.600 -0.234 0.000 1.394 203 M HN -0.262 nan 8.290 nan 0.000 0.483 204 S N 2.298 117.965 115.700 -0.056 0.000 2.523 204 S HA 0.139 4.610 4.470 0.000 0.000 0.275 204 S C 0.352 174.946 174.600 -0.010 0.000 1.281 204 S CA -0.627 57.574 58.200 0.002 0.000 1.050 204 S CB 1.026 64.237 63.200 0.019 0.000 0.937 204 S HN 0.340 nan 8.310 nan 0.000 0.492 205 D N 1.418 121.820 120.400 0.003 0.000 2.213 205 D HA 0.034 4.674 4.640 0.000 0.000 0.205 205 D C 0.088 176.382 176.300 -0.010 0.000 0.961 205 D CA 1.006 54.989 54.000 -0.029 0.000 0.853 205 D CB 0.375 41.143 40.800 -0.053 0.000 0.967 205 D HN 0.239 nan 8.370 nan 0.000 0.496 206 V N 1.525 121.451 119.914 0.020 0.000 2.577 206 V HA 0.281 4.402 4.120 0.000 0.000 0.303 206 V C -0.206 175.917 176.094 0.048 0.000 1.042 206 V CA -0.787 61.530 62.300 0.028 0.000 0.872 206 V CB 2.706 34.553 31.823 0.039 0.000 0.998 206 V HN -0.271 nan 8.190 nan 0.000 0.423 207 V N 3.381 123.315 119.914 0.033 0.000 2.448 207 V HA 0.681 4.801 4.120 0.000 0.000 0.295 207 V C 0.032 176.149 176.094 0.040 0.000 1.025 207 V CA -0.202 62.125 62.300 0.046 0.000 0.859 207 V CB 1.831 33.664 31.823 0.017 0.000 0.988 207 V HN 0.880 nan 8.190 nan 0.000 0.431 208 S N 5.137 120.884 115.700 0.078 0.000 2.526 208 S HA 0.792 5.262 4.470 0.000 0.000 0.293 208 S C -1.100 173.490 174.600 -0.016 0.000 1.092 208 S CA -0.569 57.657 58.200 0.042 0.000 0.980 208 S CB 1.242 64.550 63.200 0.180 0.000 1.048 208 S HN 0.576 nan 8.310 nan 0.000 0.483 209 L N 5.233 126.290 121.223 -0.277 0.000 2.287 209 L HA 0.556 4.896 4.340 0.000 0.000 0.287 209 L C -0.342 176.161 176.870 -0.612 0.000 1.022 209 L CA -0.494 54.189 54.840 -0.263 0.000 0.814 209 L CB 1.187 43.145 42.059 -0.168 0.000 1.217 209 L HN 0.744 nan 8.230 nan 0.000 0.420 210 H N 4.005 123.107 119.070 0.054 0.000 2.511 210 H HA 0.308 4.864 4.556 0.000 0.000 0.228 210 H C -0.538 174.822 175.328 0.053 0.000 1.424 210 H CA -0.213 55.863 56.048 0.046 0.000 1.321 210 H CB 0.822 30.608 29.762 0.041 0.000 1.720 210 H HN 0.381 nan 8.280 nan 0.000 0.512 211 V N -0.918 119.052 119.914 0.094 0.000 3.177 211 V HA 0.709 4.829 4.120 0.000 0.000 0.319 211 V C -2.364 173.773 176.094 0.072 0.000 1.125 211 V CA -2.309 60.043 62.300 0.087 0.000 1.029 211 V CB 2.012 33.879 31.823 0.072 0.000 1.119 211 V HN 0.121 nan 8.190 nan 0.000 0.452 212 P HA 0.434 nan 4.420 nan 0.000 0.301 212 P C -1.227 176.100 177.300 0.046 0.000 1.309 212 P CA -0.593 62.545 63.100 0.064 0.000 0.782 212 P CB 0.953 32.695 31.700 0.070 0.000 1.282 213 E N 0.767 120.992 120.200 0.041 0.000 2.055 213 E HA 0.298 4.648 4.350 0.000 0.000 0.274 213 E C -0.737 175.883 176.600 0.033 0.000 0.949 213 E CA -0.371 56.049 56.400 0.033 0.000 0.775 213 E CB -0.070 29.649 29.700 0.032 0.000 1.097 213 E HN 0.471 nan 8.360 nan 0.000 0.404 214 N N 2.980 121.700 118.700 0.032 0.000 3.364 214 N HA 0.333 5.074 4.740 0.000 0.000 0.294 214 N C -2.506 173.022 175.510 0.030 0.000 1.562 214 N CA -1.035 52.034 53.050 0.031 0.000 0.862 214 N CB 0.729 39.236 38.487 0.034 0.000 1.691 214 N HN 0.036 nan 8.380 nan 0.000 0.572 215 P HA -0.078 nan 4.420 nan 0.000 0.223 215 P C 0.792 178.111 177.300 0.032 0.000 1.151 215 P CA 1.412 64.529 63.100 0.028 0.000 0.787 215 P CB 0.010 31.725 31.700 0.026 0.000 0.788 216 S N -0.633 115.089 115.700 0.038 0.000 2.515 216 S HA -0.050 4.421 4.470 0.000 0.000 0.231 216 S C 1.671 176.300 174.600 0.049 0.000 0.987 216 S CA 1.427 59.654 58.200 0.046 0.000 0.936 216 S CB -1.460 61.772 63.200 0.053 0.000 0.766 216 S HN 0.352 nan 8.310 nan 0.000 0.528 217 T N -2.134 112.446 114.554 0.042 0.000 2.959 217 T HA 0.299 4.650 4.350 0.000 0.000 0.254 217 T C 0.415 175.131 174.700 0.026 0.000 1.003 217 T CA -0.317 61.807 62.100 0.040 0.000 0.950 217 T CB -0.427 68.465 68.868 0.040 0.000 1.090 217 T HN 0.307 nan 8.240 nan 0.000 0.503 218 K N 2.994 123.408 120.400 0.024 0.000 2.477 218 K HA -0.082 4.238 4.320 0.000 0.000 0.275 218 K C 0.470 177.078 176.600 0.015 0.000 1.054 218 K CA 0.854 57.153 56.287 0.019 0.000 1.135 218 K CB -0.990 31.523 32.500 0.021 0.000 0.854 218 K HN 0.420 nan 8.250 nan 0.000 0.484 219 N N 3.149 121.855 118.700 0.009 0.000 2.661 219 N HA -0.337 4.403 4.740 0.000 0.000 0.249 219 N C 0.858 176.370 175.510 0.002 0.000 1.142 219 N CA 0.840 53.893 53.050 0.005 0.000 0.727 219 N CB -0.462 38.029 38.487 0.008 0.000 1.099 219 N HN 0.741 nan 8.380 nan 0.000 0.558 220 M N -0.232 119.371 119.600 0.006 0.000 2.103 220 M HA -0.200 4.280 4.480 0.000 0.000 0.255 220 M C 0.360 176.653 176.300 -0.012 0.000 1.074 220 M CA 1.787 57.090 55.300 0.004 0.000 1.090 220 M CB 0.031 32.642 32.600 0.018 0.000 1.325 220 M HN 0.139 nan 8.290 nan 0.000 0.403 221 M N 1.422 121.012 119.600 -0.016 0.000 2.261 221 M HA 0.289 4.770 4.480 0.000 0.000 0.349 221 M C 0.195 176.484 176.300 -0.018 0.000 1.305 221 M CA -0.013 55.273 55.300 -0.024 0.000 1.240 221 M CB -0.312 32.271 32.600 -0.028 0.000 1.394 221 M HN 0.219 nan 8.290 nan 0.000 0.438 222 G N 1.236 110.026 108.800 -0.018 0.000 3.042 222 G HA2 0.655 4.616 3.960 0.000 0.000 0.278 222 G HA3 0.655 4.616 3.960 0.000 0.000 0.278 222 G C 0.627 175.518 174.900 -0.015 0.000 1.371 222 G CA -0.104 44.989 45.100 -0.012 0.000 1.009 222 G HN 0.605 nan 8.290 nan 0.000 0.523 223 A N -0.231 122.581 122.820 -0.013 0.000 1.915 223 A HA -0.167 4.153 4.320 0.000 0.000 0.220 223 A C 2.199 179.766 177.584 -0.028 0.000 1.198 223 A CA 2.499 54.525 52.037 -0.019 0.000 0.647 223 A CB -0.576 18.413 19.000 -0.018 0.000 0.825 223 A HN 0.592 nan 8.150 nan 0.000 0.456 224 K N -0.669 119.715 120.400 -0.027 0.000 2.002 224 K HA -0.215 4.106 4.320 0.000 0.000 0.209 224 K C 1.989 178.568 176.600 -0.034 0.000 1.048 224 K CA 1.907 58.175 56.287 -0.031 0.000 0.930 224 K CB -0.180 32.305 32.500 -0.024 0.000 0.714 224 K HN 0.494 nan 8.250 nan 0.000 0.438 225 E N 0.948 121.128 120.200 -0.034 0.000 2.051 225 E HA -0.141 4.210 4.350 0.000 0.000 0.192 225 E C 1.968 178.554 176.600 -0.023 0.000 0.991 225 E CA 1.329 57.702 56.400 -0.045 0.000 0.799 225 E CB -0.171 29.497 29.700 -0.054 0.000 0.748 225 E HN 0.329 nan 8.360 nan 0.000 0.449 226 I N 0.878 121.443 120.570 -0.007 0.000 2.194 226 I HA -0.299 3.871 4.170 0.000 0.000 0.246 226 I C 2.157 178.324 176.117 0.084 0.000 1.093 226 I CA 1.584 62.902 61.300 0.031 0.000 1.355 226 I CB -0.408 37.608 38.000 0.027 0.000 1.046 226 I HN 0.147 nan 8.210 nan 0.000 0.413 227 S N 0.258 115.959 115.700 0.000 0.000 2.607 227 S HA 0.001 4.471 4.470 0.000 0.000 0.224 227 S C 1.625 176.227 174.600 0.004 0.000 0.969 227 S CA 0.292 58.433 58.200 -0.100 0.000 0.927 227 S CB -0.126 62.953 63.200 -0.203 0.000 0.772 227 S HN 0.233 nan 8.310 nan 0.000 0.533 228 L N 0.943 122.184 121.223 0.030 0.000 2.492 228 L HA 0.424 4.765 4.340 0.000 0.000 0.223 228 L C 1.074 177.977 176.870 0.055 0.000 1.132 228 L CA 0.566 55.421 54.840 0.025 0.000 0.850 228 L CB -1.126 40.918 42.059 -0.025 0.000 0.966 228 L HN 0.433 nan 8.230 nan 0.000 0.454 229 M N 0.561 120.223 119.600 0.103 0.000 2.245 229 M HA 0.056 4.537 4.480 0.000 0.000 0.330 229 M C 0.773 177.091 176.300 0.029 0.000 1.098 229 M CA 0.337 55.662 55.300 0.042 0.000 1.172 229 M CB 0.451 33.054 32.600 0.004 0.000 1.467 229 M HN 0.060 nan 8.290 nan 0.000 0.454 230 K N 2.766 123.133 120.400 -0.055 0.000 2.237 230 K HA 0.380 4.700 4.320 0.000 0.000 0.270 230 K C -2.754 173.734 176.600 -0.188 0.000 1.015 230 K CA -1.553 54.695 56.287 -0.066 0.000 0.949 230 K CB 0.333 32.798 32.500 -0.057 0.000 0.976 230 K HN 0.174 nan 8.250 nan 0.000 0.472 231 P HA 0.015 nan 4.420 nan 0.000 0.266 231 P C 0.375 177.577 177.300 -0.164 0.000 1.195 231 P CA 0.877 63.843 63.100 -0.224 0.000 0.768 231 P CB 0.662 32.364 31.700 0.004 0.000 0.838 232 G N 1.390 110.076 108.800 -0.191 0.000 2.179 232 G HA2 -0.247 3.714 3.960 0.000 0.000 0.260 232 G HA3 -0.247 3.714 3.960 0.000 0.000 0.260 232 G C 0.480 175.336 174.900 -0.073 0.000 0.977 232 G CA 0.393 45.446 45.100 -0.078 0.000 0.641 232 G HN 0.786 nan 8.290 nan 0.000 0.533 233 S N -0.595 115.023 115.700 -0.136 0.000 2.640 233 S HA 0.799 5.269 4.470 0.000 0.000 0.262 233 S C 0.246 174.804 174.600 -0.070 0.000 1.232 233 S CA -0.482 57.664 58.200 -0.090 0.000 0.988 233 S CB 1.454 64.594 63.200 -0.099 0.000 1.034 233 S HN 0.766 nan 8.310 nan 0.000 0.569 234 L N 0.363 121.561 121.223 -0.042 0.000 2.362 234 L HA 0.635 4.975 4.340 0.000 0.000 0.271 234 L C -1.150 175.703 176.870 -0.029 0.000 1.002 234 L CA -0.984 53.837 54.840 -0.031 0.000 0.818 234 L CB 1.763 43.819 42.059 -0.006 0.000 1.298 234 L HN 0.567 nan 8.230 nan 0.000 0.420 235 L N 3.527 124.728 121.223 -0.036 0.000 2.333 235 L HA 0.643 4.984 4.340 0.000 0.000 0.280 235 L C -0.925 175.921 176.870 -0.040 0.000 1.004 235 L CA 0.034 54.853 54.840 -0.036 0.000 0.820 235 L CB 1.508 43.539 42.059 -0.046 0.000 1.247 235 L HN 0.388 nan 8.230 nan 0.000 0.416 236 I N 4.788 125.335 120.570 -0.039 0.000 2.509 236 I HA 0.422 4.592 4.170 0.000 0.000 0.293 236 I C -0.576 175.480 176.117 -0.103 0.000 1.020 236 I CA -0.505 60.763 61.300 -0.054 0.000 1.088 236 I CB 1.930 39.918 38.000 -0.020 0.000 1.267 236 I HN 0.634 nan 8.210 nan 0.000 0.430 237 N N 4.845 123.465 118.700 -0.134 0.000 2.549 237 N HA 0.526 5.267 4.740 0.000 0.000 0.281 237 N C -0.664 174.724 175.510 -0.203 0.000 1.084 237 N CA -0.161 52.777 53.050 -0.187 0.000 0.862 237 N CB 1.686 40.064 38.487 -0.181 0.000 1.333 237 N HN 0.755 nan 8.380 nan 0.000 0.523 238 A N 2.373 125.066 122.820 -0.212 0.000 2.631 238 A HA 0.184 4.504 4.320 0.000 0.000 0.294 238 A C 1.165 178.664 177.584 -0.142 0.000 1.156 238 A CA -0.157 51.786 52.037 -0.157 0.000 0.963 238 A CB -0.131 18.837 19.000 -0.053 0.000 1.202 238 A HN 0.654 nan 8.150 nan 0.000 0.523 239 S N 0.106 115.698 115.700 -0.180 0.000 2.291 239 S HA 0.369 4.840 4.470 0.000 0.000 0.185 239 S C 0.666 175.212 174.600 -0.089 0.000 0.996 239 S CA 0.099 58.239 58.200 -0.101 0.000 0.997 239 S CB 0.051 63.193 63.200 -0.098 0.000 0.899 239 S HN 0.287 nan 8.310 nan 0.000 0.493 240 R N 0.440 120.885 120.500 -0.092 0.000 2.686 240 R HA 0.519 4.859 4.340 0.000 0.000 0.283 240 R C 0.881 177.124 176.300 -0.096 0.000 0.978 240 R CA -0.162 55.896 56.100 -0.071 0.000 0.897 240 R CB 1.025 31.316 30.300 -0.015 0.000 1.192 240 R HN 0.592 nan 8.270 nan 0.000 0.457 241 G N 0.117 108.866 108.800 -0.085 0.000 2.653 241 G HA2 -0.188 3.773 3.960 0.000 0.000 0.212 241 G HA3 -0.188 3.773 3.960 0.000 0.000 0.212 241 G C 0.758 175.646 174.900 -0.020 0.000 1.138 241 G CA 1.149 46.208 45.100 -0.068 0.000 0.782 241 G HN 0.623 nan 8.290 nan 0.000 0.535 242 T N -3.259 111.286 114.554 -0.015 0.000 3.044 242 T HA 0.238 4.588 4.350 0.000 0.000 0.260 242 T C 1.611 176.307 174.700 -0.007 0.000 1.019 242 T CA 0.255 62.357 62.100 0.003 0.000 0.921 242 T CB 0.747 69.624 68.868 0.015 0.000 1.053 242 T HN -0.041 nan 8.240 nan 0.000 0.533 243 V N 0.871 120.769 119.914 -0.027 0.000 3.506 243 V HA 0.283 4.403 4.120 0.000 0.000 0.263 243 V C 0.565 176.642 176.094 -0.028 0.000 1.203 243 V CA 0.106 62.392 62.300 -0.024 0.000 1.133 243 V CB 0.106 31.908 31.823 -0.034 0.000 0.802 243 V HN 0.424 nan 8.190 nan 0.000 0.459 244 V N 0.395 120.287 119.914 -0.036 0.000 2.531 244 V HA 0.359 4.479 4.120 0.000 0.000 0.301 244 V C -0.443 175.642 176.094 -0.015 0.000 1.034 244 V CA -0.792 61.487 62.300 -0.034 0.000 0.865 244 V CB 1.999 33.787 31.823 -0.058 0.000 0.995 244 V HN 0.189 nan 8.190 nan 0.000 0.424 245 D N 4.541 124.937 120.400 -0.007 0.000 2.380 245 D HA 0.024 4.665 4.640 0.000 0.000 0.270 245 D C 1.281 177.588 176.300 0.010 0.000 1.363 245 D CA -0.110 53.893 54.000 0.004 0.000 1.057 245 D CB 0.604 41.405 40.800 0.002 0.000 1.096 245 D HN 0.324 nan 8.370 nan 0.000 0.524 246 I N 5.412 125.997 120.570 0.026 0.000 2.151 246 I HA -0.228 3.942 4.170 0.000 0.000 0.243 246 I C -0.623 175.522 176.117 0.046 0.000 1.080 246 I CA 1.059 62.387 61.300 0.046 0.000 1.339 246 I CB -2.421 35.634 38.000 0.091 0.000 1.039 246 I HN 0.383 nan 8.210 nan 0.000 0.409 247 P HA -0.067 nan 4.420 nan 0.000 0.218 247 P C 1.701 179.020 177.300 0.032 0.000 1.149 247 P CA 1.838 64.966 63.100 0.045 0.000 0.817 247 P CB -0.023 31.699 31.700 0.038 0.000 0.785 248 A N -0.341 122.489 122.820 0.017 0.000 1.877 248 A HA -0.191 4.130 4.320 0.000 0.000 0.216 248 A C 2.138 179.719 177.584 -0.004 0.000 1.186 248 A CA 1.531 53.571 52.037 0.006 0.000 0.620 248 A CB -1.701 17.298 19.000 -0.001 0.000 0.822 248 A HN 0.154 nan 8.150 nan 0.000 0.443 249 L N -0.027 121.188 121.223 -0.013 0.000 1.990 249 L HA -0.158 4.183 4.340 0.000 0.000 0.213 249 L C 2.738 179.554 176.870 -0.089 0.000 1.072 249 L CA 2.458 57.271 54.840 -0.045 0.000 0.755 249 L CB -0.944 41.089 42.059 -0.042 0.000 0.889 249 L HN 0.377 nan 8.230 nan 0.000 0.432 250 A N -0.763 122.034 122.820 -0.039 0.000 1.927 250 A HA -0.293 4.028 4.320 0.000 0.000 0.220 250 A C 2.008 179.596 177.584 0.007 0.000 1.185 250 A CA 2.201 54.233 52.037 -0.009 0.000 0.639 250 A CB -1.002 18.107 19.000 0.182 0.000 0.820 250 A HN 0.612 nan 8.150 nan 0.000 0.451 251 D N -0.122 120.295 120.400 0.029 0.000 2.097 251 D HA -0.050 4.590 4.640 0.000 0.000 0.195 251 D C 2.243 178.549 176.300 0.011 0.000 0.989 251 D CA 1.659 55.683 54.000 0.040 0.000 0.827 251 D CB -0.562 40.255 40.800 0.028 0.000 0.966 251 D HN 0.446 nan 8.370 nan 0.000 0.456 252 A N 0.553 123.364 122.820 -0.015 0.000 2.015 252 A HA -0.115 4.205 4.320 0.000 0.000 0.219 252 A C 2.054 179.614 177.584 -0.040 0.000 1.163 252 A CA 0.779 52.824 52.037 0.014 0.000 0.646 252 A CB -0.370 18.663 19.000 0.055 0.000 0.806 252 A HN 0.101 nan 8.150 nan 0.000 0.448 253 L N -0.493 120.613 121.223 -0.194 0.000 2.027 253 L HA -0.069 4.272 4.340 0.000 0.000 0.206 253 L C 2.953 179.747 176.870 -0.128 0.000 1.074 253 L CA 1.889 56.521 54.840 -0.346 0.000 0.745 253 L CB -1.513 39.950 42.059 -0.993 0.000 0.898 253 L HN 0.399 nan 8.230 nan 0.000 0.433 254 A N -0.846 121.990 122.820 0.026 0.000 2.019 254 A HA -0.156 4.165 4.320 0.000 0.000 0.219 254 A C 2.301 179.963 177.584 0.129 0.000 1.164 254 A CA 1.693 53.876 52.037 0.244 0.000 0.644 254 A CB -0.620 18.557 19.000 0.295 0.000 0.805 254 A HN 0.533 nan 8.150 nan 0.000 0.449 255 S N -1.162 114.585 115.700 0.079 0.000 2.575 255 S HA 0.114 4.585 4.470 0.000 0.000 0.215 255 S C 0.558 175.205 174.600 0.079 0.000 0.966 255 S CA 0.411 58.654 58.200 0.073 0.000 0.911 255 S CB -0.183 63.052 63.200 0.059 0.000 0.780 255 S HN 0.462 nan 8.310 nan 0.000 0.514 256 K N 0.260 120.701 120.400 0.067 0.000 3.020 256 K HA -0.294 4.026 4.320 0.000 0.000 0.266 256 K C 0.392 177.032 176.600 0.066 0.000 1.067 256 K CA 1.263 57.581 56.287 0.052 0.000 0.780 256 K CB -2.527 30.005 32.500 0.052 0.000 1.220 256 K HN 0.753 nan 8.250 nan 0.000 0.483 257 H N 0.017 119.080 119.070 -0.012 0.000 2.428 257 H HA 0.193 4.750 4.556 0.000 0.000 0.296 257 H C 0.692 176.009 175.328 -0.018 0.000 1.062 257 H CA 1.151 57.191 56.048 -0.013 0.000 1.350 257 H CB 0.324 30.076 29.762 -0.018 0.000 1.403 257 H HN 0.270 nan 8.280 nan 0.000 0.533 258 L N -0.047 121.109 121.223 -0.112 0.000 2.325 258 L HA 0.432 4.773 4.340 0.000 0.000 0.278 258 L C 0.935 177.753 176.870 -0.087 0.000 1.023 258 L CA -0.265 54.487 54.840 -0.147 0.000 0.811 258 L CB 1.887 43.884 42.059 -0.104 0.000 1.249 258 L HN 0.143 nan 8.230 nan 0.000 0.431 259 A N 1.911 124.692 122.820 -0.066 0.000 2.195 259 A HA 0.568 4.888 4.320 0.000 0.000 0.210 259 A C 0.746 178.316 177.584 -0.023 0.000 1.165 259 A CA 0.736 52.759 52.037 -0.025 0.000 0.806 259 A CB 0.057 19.062 19.000 0.008 0.000 0.847 259 A HN 0.872 nan 8.150 nan 0.000 0.482 260 G N -2.897 105.876 108.800 -0.044 0.000 2.320 260 G HA2 0.651 4.612 3.960 0.000 0.000 0.296 260 G HA3 0.651 4.612 3.960 0.000 0.000 0.296 260 G C -1.205 173.666 174.900 -0.048 0.000 1.306 260 G CA 0.131 45.207 45.100 -0.039 0.000 0.836 260 G HN 1.372 nan 8.290 nan 0.000 0.517 261 A N -1.636 121.164 122.820 -0.033 0.000 2.586 261 A HA 1.064 5.384 4.320 0.000 0.000 0.290 261 A C -0.794 176.783 177.584 -0.013 0.000 1.086 261 A CA 0.335 52.352 52.037 -0.034 0.000 0.665 261 A CB 1.078 20.043 19.000 -0.059 0.000 1.279 261 A HN 2.581 nan 8.150 nan 0.000 0.423 262 A N 0.651 123.457 122.820 -0.024 0.000 2.422 262 A HA 0.761 5.081 4.320 0.000 0.000 0.302 262 A C -1.315 176.229 177.584 -0.065 0.000 1.041 262 A CA -0.349 51.675 52.037 -0.021 0.000 0.708 262 A CB 0.948 19.942 19.000 -0.010 0.000 1.257 262 A HN 0.900 nan 8.150 nan 0.000 0.414 263 I N 2.141 122.660 120.570 -0.083 0.000 2.534 263 I HA 0.305 4.476 4.170 0.000 0.000 0.288 263 I C -0.113 175.854 176.117 -0.249 0.000 1.077 263 I CA -0.149 61.017 61.300 -0.223 0.000 1.051 263 I CB 1.847 39.677 38.000 -0.282 0.000 1.234 263 I HN 0.918 nan 8.210 nan 0.000 0.425 264 D N 4.372 124.592 120.400 -0.300 0.000 2.449 264 D HA 0.161 4.802 4.640 0.000 0.000 0.210 264 D C -0.111 175.993 176.300 -0.328 0.000 1.094 264 D CA 0.472 54.353 54.000 -0.198 0.000 0.846 264 D CB 0.932 41.664 40.800 -0.114 0.000 1.003 264 D HN 0.293 nan 8.370 nan 0.000 0.504 265 V N -1.752 117.783 119.914 -0.632 0.000 2.925 265 V HA 0.745 4.865 4.120 0.000 0.000 0.311 265 V C -0.964 174.704 176.094 -0.710 0.000 1.104 265 V CA -1.007 60.963 62.300 -0.550 0.000 0.954 265 V CB 1.477 33.009 31.823 -0.485 0.000 1.022 265 V HN -0.108 nan 8.190 nan 0.000 0.427 266 F N 1.022 120.972 119.950 -0.001 0.000 2.629 266 F HA 0.707 5.234 4.527 0.000 0.000 0.316 266 F C -1.944 173.885 175.800 0.048 0.000 1.081 266 F CA -2.204 55.832 58.000 0.060 0.000 0.954 266 F CB 1.728 40.822 39.000 0.156 0.000 1.337 266 F HN 0.292 nan 8.300 nan 0.000 0.474 267 P HA -0.057 nan 4.420 nan 0.000 0.216 267 P C -0.061 177.322 177.300 0.138 0.000 1.150 267 P CA 1.608 64.789 63.100 0.135 0.000 0.837 267 P CB 0.024 31.787 31.700 0.104 0.000 0.786 268 T N -3.030 111.622 114.554 0.163 0.000 2.921 268 T HA 0.530 4.880 4.350 0.000 0.000 0.297 268 T C -0.880 173.914 174.700 0.156 0.000 1.013 268 T CA -0.901 61.275 62.100 0.127 0.000 0.990 268 T CB 2.169 71.078 68.868 0.069 0.000 1.023 268 T HN -0.113 nan 8.240 nan 0.000 0.447 269 E N 2.539 122.836 120.200 0.161 0.000 2.199 269 E HA 0.493 4.844 4.350 0.000 0.000 0.269 269 E C -2.530 174.142 176.600 0.119 0.000 0.899 269 E CA -2.344 54.162 56.400 0.177 0.000 0.772 269 E CB 1.211 31.061 29.700 0.249 0.000 1.155 269 E HN 0.483 nan 8.360 nan 0.000 0.408 270 P HA -0.141 nan 4.420 nan 0.000 0.261 270 P C 0.015 177.356 177.300 0.068 0.000 1.158 270 P CA 0.383 63.530 63.100 0.079 0.000 0.758 270 P CB 0.517 32.266 31.700 0.081 0.000 0.763 271 A N 2.070 124.922 122.820 0.053 0.000 2.119 271 A HA 0.076 4.396 4.320 0.000 0.000 0.217 271 A C 1.014 178.620 177.584 0.037 0.000 1.153 271 A CA 1.472 53.537 52.037 0.048 0.000 0.692 271 A CB -0.062 18.965 19.000 0.044 0.000 0.799 271 A HN 0.580 nan 8.150 nan 0.000 0.458 272 T N -2.307 112.266 114.554 0.032 0.000 2.886 272 T HA 0.264 4.614 4.350 0.000 0.000 0.330 272 T C -0.369 174.342 174.700 0.018 0.000 1.488 272 T CA -0.634 61.479 62.100 0.021 0.000 1.054 272 T CB 1.064 69.942 68.868 0.017 0.000 1.348 272 T HN 0.072 nan 8.240 nan 0.000 0.489 273 N N 1.029 119.735 118.700 0.011 0.000 2.635 273 N HA -0.025 4.716 4.740 0.000 0.000 0.191 273 N C 1.399 176.913 175.510 0.008 0.000 1.155 273 N CA 1.087 54.141 53.050 0.006 0.000 0.927 273 N CB 0.145 38.632 38.487 0.001 0.000 0.976 273 N HN 0.504 nan 8.380 nan 0.000 0.448 274 S N -1.593 114.114 115.700 0.011 0.000 2.666 274 S HA 0.155 4.625 4.470 0.000 0.000 0.239 274 S C -0.103 174.505 174.600 0.014 0.000 1.031 274 S CA -0.623 57.583 58.200 0.010 0.000 1.015 274 S CB 0.475 63.678 63.200 0.006 0.000 0.981 274 S HN -0.074 nan 8.310 nan 0.000 0.547 275 D N 4.182 124.594 120.400 0.020 0.000 2.304 275 D HA 0.384 5.024 4.640 0.000 0.000 0.247 275 D C -2.277 174.046 176.300 0.038 0.000 1.089 275 D CA -1.035 52.980 54.000 0.025 0.000 0.910 275 D CB 1.109 41.928 40.800 0.030 0.000 1.199 275 D HN 0.333 nan 8.370 nan 0.000 0.426 276 P HA 0.206 nan 4.420 nan 0.000 0.275 276 P C -0.863 176.482 177.300 0.074 0.000 1.228 276 P CA -0.436 62.690 63.100 0.044 0.000 0.786 276 P CB 0.590 32.295 31.700 0.009 0.000 0.927 277 F N 1.319 121.221 119.950 -0.080 0.000 2.443 277 F HA 0.514 5.041 4.527 0.001 0.000 0.335 277 F C -0.588 175.139 175.800 -0.122 0.000 1.104 277 F CA -0.088 57.833 58.000 -0.133 0.000 1.013 277 F CB 1.715 40.616 39.000 -0.164 0.000 1.136 277 F HN 0.154 nan 8.300 nan 0.000 0.470 278 T N 4.394 118.308 114.554 -1.067 0.000 2.879 278 T HA 0.553 4.903 4.350 0.000 0.000 0.290 278 T C -1.375 172.727 174.700 -0.996 0.000 0.993 278 T CA -0.607 61.008 62.100 -0.808 0.000 0.975 278 T CB 1.265 69.903 68.868 -0.384 0.000 0.981 278 T HN 0.628 nan 8.240 nan 0.000 0.439 279 S N 2.539 117.837 115.700 -0.671 0.000 2.537 279 S HA 0.504 4.974 4.470 0.000 0.000 0.271 279 S C -2.004 172.552 174.600 -0.074 0.000 1.148 279 S CA -1.234 56.784 58.200 -0.305 0.000 0.868 279 S CB 1.541 64.653 63.200 -0.147 0.000 1.115 279 S HN 0.360 nan 8.310 nan 0.000 0.461 280 P HA -0.096 nan 4.420 nan 0.000 0.217 280 P C 1.273 178.704 177.300 0.218 0.000 1.151 280 P CA 0.873 64.030 63.100 0.096 0.000 0.849 280 P CB 0.060 31.837 31.700 0.129 0.000 0.787 281 L N -0.756 120.637 121.223 0.283 0.000 2.275 281 L HA -0.025 4.316 4.340 0.000 0.000 0.215 281 L C 2.330 179.418 176.870 0.364 0.000 1.119 281 L CA 1.286 56.394 54.840 0.446 0.000 0.790 281 L CB -2.289 39.984 42.059 0.357 0.000 0.919 281 L HN -0.058 nan 8.230 nan 0.000 0.443 282 A N -0.158 122.788 122.820 0.210 0.000 2.186 282 A HA -0.216 4.104 4.320 0.000 0.000 0.219 282 A C 2.250 179.867 177.584 0.055 0.000 1.159 282 A CA 1.556 53.690 52.037 0.161 0.000 0.680 282 A CB -0.539 18.528 19.000 0.111 0.000 0.787 282 A HN 0.604 nan 8.150 nan 0.000 0.467 283 E N -1.158 119.004 120.200 -0.064 0.000 2.442 283 E HA 0.022 4.372 4.350 0.000 0.000 0.195 283 E C -0.733 175.627 176.600 -0.400 0.000 1.030 283 E CA -0.283 55.944 56.400 -0.289 0.000 0.869 283 E CB -0.005 29.440 29.700 -0.424 0.000 0.857 283 E HN 0.523 nan 8.360 nan 0.000 0.505 284 F N 2.109 122.089 119.950 0.050 0.000 2.391 284 F HA 0.208 4.736 4.527 0.000 0.000 0.359 284 F C 1.020 176.847 175.800 0.045 0.000 1.122 284 F CA -0.854 57.173 58.000 0.045 0.000 1.120 284 F CB 1.269 40.298 39.000 0.048 0.000 1.142 284 F HN -0.158 nan 8.300 nan 0.000 0.483 285 D N 1.401 121.908 120.400 0.179 0.000 2.178 285 D HA -0.161 4.480 4.640 0.000 0.000 0.201 285 D C 1.473 177.846 176.300 0.122 0.000 0.980 285 D CA 1.124 55.197 54.000 0.122 0.000 0.842 285 D CB -0.116 40.732 40.800 0.081 0.000 0.948 285 D HN 0.498 nan 8.370 nan 0.000 0.472 286 N N 0.764 119.551 118.700 0.145 0.000 2.471 286 N HA -0.035 4.706 4.740 0.000 0.000 0.205 286 N C -0.270 175.287 175.510 0.078 0.000 1.251 286 N CA 0.050 53.155 53.050 0.091 0.000 0.843 286 N CB 0.181 38.712 38.487 0.074 0.000 1.044 286 N HN -0.054 nan 8.380 nan 0.000 0.461 287 V N 0.865 120.849 119.914 0.116 0.000 2.604 287 V HA 0.386 4.506 4.120 0.000 0.000 0.305 287 V C -0.168 175.983 176.094 0.094 0.000 1.043 287 V CA -0.913 61.443 62.300 0.093 0.000 0.888 287 V CB 2.424 34.325 31.823 0.131 0.000 0.995 287 V HN 0.120 nan 8.190 nan 0.000 0.429 288 L N 4.970 126.233 121.223 0.066 0.000 2.295 288 L HA 0.548 4.888 4.340 0.000 0.000 0.285 288 L C -1.189 175.729 176.870 0.080 0.000 1.035 288 L CA -0.630 54.245 54.840 0.059 0.000 0.806 288 L CB 1.561 43.640 42.059 0.033 0.000 1.214 288 L HN 0.355 nan 8.230 nan 0.000 0.426 289 L N 3.365 124.643 121.223 0.092 0.000 2.372 289 L HA 0.550 4.890 4.340 0.000 0.000 0.274 289 L C -0.115 176.792 176.870 0.062 0.000 0.988 289 L CA -0.257 54.672 54.840 0.148 0.000 0.833 289 L CB 1.810 43.984 42.059 0.191 0.000 1.236 289 L HN 0.604 nan 8.230 nan 0.000 0.410 290 T N 1.052 115.658 114.554 0.088 0.000 2.876 290 T HA 0.657 5.007 4.350 0.000 0.000 0.289 290 T C -2.775 171.978 174.700 0.089 0.000 1.014 290 T CA -2.011 60.112 62.100 0.038 0.000 0.986 290 T CB 2.129 71.015 68.868 0.029 0.000 1.021 290 T HN 0.347 nan 8.240 nan 0.000 0.458 291 P HA 0.195 nan 4.420 nan 0.000 0.225 291 P C -0.026 177.383 177.300 0.183 0.000 1.813 291 P CA 0.059 63.192 63.100 0.055 0.000 1.013 291 P CB -1.205 30.468 31.700 -0.045 0.000 1.961 292 H N 1.930 121.064 119.070 0.106 0.000 2.591 292 H HA -0.156 4.400 4.556 0.001 0.000 0.325 292 H C 0.553 175.906 175.328 0.040 0.000 1.096 292 H CA -0.020 56.070 56.048 0.071 0.000 1.108 292 H CB -0.777 29.037 29.762 0.086 0.000 1.590 292 H HN 0.464 nan 8.280 nan 0.000 0.399 293 I N -2.824 117.864 120.570 0.196 0.000 4.240 293 I HA 0.332 4.502 4.170 0.000 0.000 0.331 293 I C 2.133 178.315 176.117 0.108 0.000 1.381 293 I CA 0.193 61.566 61.300 0.121 0.000 1.136 293 I CB 0.325 38.367 38.000 0.071 0.000 1.137 293 I HN 0.349 nan 8.210 nan 0.000 0.411 294 G N 2.481 111.355 108.800 0.123 0.000 2.759 294 G HA2 -0.351 3.610 3.960 0.000 0.000 0.224 294 G HA3 -0.351 3.610 3.960 0.000 0.000 0.224 294 G C 1.348 176.305 174.900 0.094 0.000 1.173 294 G CA 1.378 46.538 45.100 0.100 0.000 0.770 294 G HN 0.596 nan 8.290 nan 0.000 0.626 295 G N -0.778 108.087 108.800 0.108 0.000 3.448 295 G HA2 0.392 4.352 3.960 0.000 0.000 0.261 295 G HA3 0.392 4.352 3.960 0.000 0.000 0.261 295 G C 0.271 175.203 174.900 0.052 0.000 1.173 295 G CA 0.356 45.500 45.100 0.073 0.000 0.835 295 G HN 0.329 nan 8.290 nan 0.000 0.534 296 S N 1.246 116.978 115.700 0.054 0.000 2.695 296 S HA 0.507 4.978 4.470 0.000 0.000 0.275 296 S C 0.207 174.831 174.600 0.040 0.000 1.203 296 S CA -0.479 57.745 58.200 0.040 0.000 1.061 296 S CB 0.581 63.802 63.200 0.036 0.000 1.152 296 S HN 0.567 nan 8.310 nan 0.000 0.495 297 T N -0.327 114.252 114.554 0.041 0.000 2.865 297 T HA 0.415 4.765 4.350 0.000 0.000 0.294 297 T C 0.751 175.483 174.700 0.053 0.000 1.119 297 T CA -0.823 61.301 62.100 0.041 0.000 1.007 297 T CB 1.307 70.196 68.868 0.035 0.000 1.225 297 T HN 0.204 nan 8.240 nan 0.000 0.515 298 Q N -0.171 119.664 119.800 0.058 0.000 2.084 298 Q HA -0.148 4.193 4.340 0.000 0.000 0.202 298 Q C 1.772 177.817 176.000 0.075 0.000 0.978 298 Q CA 1.902 57.758 55.803 0.089 0.000 0.844 298 Q CB -0.134 28.655 28.738 0.086 0.000 0.898 298 Q HN 0.740 nan 8.270 nan 0.000 0.426 299 E N 0.306 120.528 120.200 0.037 0.000 2.051 299 E HA -0.190 4.160 4.350 0.000 0.000 0.192 299 E C 1.748 178.344 176.600 -0.006 0.000 0.991 299 E CA 1.307 57.710 56.400 0.004 0.000 0.799 299 E CB -0.325 29.377 29.700 0.003 0.000 0.748 299 E HN 0.407 nan 8.360 nan 0.000 0.449 300 A N 0.913 123.742 122.820 0.015 0.000 1.908 300 A HA -0.259 4.061 4.320 0.000 0.000 0.218 300 A C 2.060 179.657 177.584 0.021 0.000 1.181 300 A CA 1.487 53.534 52.037 0.016 0.000 0.627 300 A CB -0.439 18.578 19.000 0.027 0.000 0.818 300 A HN 0.131 nan 8.150 nan 0.000 0.445 301 Q N -0.227 119.605 119.800 0.053 0.000 2.124 301 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 301 Q C 1.880 177.886 176.000 0.009 0.000 0.977 301 Q CA 1.671 57.532 55.803 0.097 0.000 0.850 301 Q CB -0.383 28.472 28.738 0.195 0.000 0.901 301 Q HN 0.826 nan 8.270 nan 0.000 0.429 302 E N 0.613 120.719 120.200 -0.157 0.000 2.077 302 E HA -0.162 4.188 4.350 0.000 0.000 0.193 302 E C 1.803 178.288 176.600 -0.192 0.000 0.989 302 E CA 0.889 57.029 56.400 -0.433 0.000 0.800 302 E CB -0.040 29.422 29.700 -0.398 0.000 0.746 302 E HN 0.354 nan 8.360 nan 0.000 0.452 303 N N 1.088 119.729 118.700 -0.098 0.000 2.084 303 N HA -0.140 4.600 4.740 0.000 0.000 0.190 303 N C 1.972 177.453 175.510 -0.049 0.000 1.030 303 N CA 0.992 54.004 53.050 -0.063 0.000 0.849 303 N CB -0.338 38.126 38.487 -0.039 0.000 1.012 303 N HN 0.180 nan 8.380 nan 0.000 0.423 304 I N 0.715 121.275 120.570 -0.016 0.000 2.208 304 I HA -0.194 3.976 4.170 0.000 0.000 0.245 304 I C 2.342 178.487 176.117 0.046 0.000 1.097 304 I CA 1.373 62.673 61.300 0.001 0.000 1.363 304 I CB -0.602 37.437 38.000 0.065 0.000 1.051 304 I HN 0.181 nan 8.210 nan 0.000 0.413 305 G N 0.634 109.517 108.800 0.138 0.000 2.394 305 G HA2 -0.174 3.787 3.960 0.000 0.000 0.215 305 G HA3 -0.174 3.787 3.960 0.000 0.000 0.215 305 G C 1.550 176.524 174.900 0.125 0.000 1.165 305 G CA 0.205 45.480 45.100 0.293 0.000 0.784 305 G HN 0.110 nan 8.290 nan 0.000 0.535 306 L N 0.759 121.980 121.223 -0.003 0.000 1.976 306 L HA 0.011 4.352 4.340 0.000 0.000 0.209 306 L C 2.695 179.512 176.870 -0.088 0.000 1.071 306 L CA 1.479 56.291 54.840 -0.047 0.000 0.746 306 L CB -1.037 40.982 42.059 -0.067 0.000 0.890 306 L HN 0.272 nan 8.230 nan 0.000 0.432 307 E N -0.651 119.481 120.200 -0.112 0.000 2.013 307 E HA -0.224 4.127 4.350 0.000 0.000 0.202 307 E C 2.127 178.580 176.600 -0.245 0.000 1.018 307 E CA 2.042 58.349 56.400 -0.154 0.000 0.834 307 E CB -0.277 29.335 29.700 -0.146 0.000 0.770 307 E HN 0.258 nan 8.360 nan 0.000 0.459 308 V N 1.286 120.974 119.914 -0.376 0.000 2.407 308 V HA -0.280 3.841 4.120 0.000 0.000 0.248 308 V C 2.354 178.142 176.094 -0.510 0.000 1.055 308 V CA 1.784 63.725 62.300 -0.598 0.000 1.049 308 V CB -0.790 30.344 31.823 -1.148 0.000 0.662 308 V HN 0.335 nan 8.190 nan 0.000 0.455 309 A N 0.572 123.203 122.820 -0.315 0.000 1.877 309 A HA -0.098 4.222 4.320 0.000 0.000 0.216 309 A C 2.465 179.937 177.584 -0.186 0.000 1.186 309 A CA 1.958 53.929 52.037 -0.110 0.000 0.620 309 A CB -1.329 17.690 19.000 0.031 0.000 0.822 309 A HN 0.516 nan 8.150 nan 0.000 0.443 310 G N -0.059 108.635 108.800 -0.177 0.000 2.476 310 G HA2 -0.301 3.659 3.960 0.000 0.000 0.218 310 G HA3 -0.301 3.659 3.960 0.000 0.000 0.218 310 G C 1.668 176.428 174.900 -0.234 0.000 1.164 310 G CA 1.253 46.253 45.100 -0.166 0.000 0.768 310 G HN 0.598 nan 8.290 nan 0.000 0.560 311 K N -0.458 119.735 120.400 -0.345 0.000 2.032 311 K HA -0.054 4.266 4.320 0.000 0.000 0.209 311 K C 2.452 178.683 176.600 -0.616 0.000 1.048 311 K CA 0.946 56.886 56.287 -0.578 0.000 0.927 311 K CB -0.354 31.628 32.500 -0.863 0.000 0.712 311 K HN 0.156 nan 8.250 nan 0.000 0.441 312 L N 1.468 122.419 121.223 -0.455 0.000 2.012 312 L HA -0.182 4.159 4.340 0.000 0.000 0.210 312 L C 2.229 178.941 176.870 -0.263 0.000 1.073 312 L CA 1.560 56.228 54.840 -0.286 0.000 0.748 312 L CB -0.666 41.280 42.059 -0.189 0.000 0.891 312 L HN 0.200 nan 8.230 nan 0.000 0.431 313 I N -0.802 119.624 120.570 -0.241 0.000 2.118 313 I HA -0.401 3.769 4.170 0.000 0.000 0.241 313 I C 2.481 178.584 176.117 -0.023 0.000 1.070 313 I CA 1.481 62.701 61.300 -0.133 0.000 1.327 313 I CB -0.503 37.451 38.000 -0.077 0.000 1.034 313 I HN 0.286 nan 8.210 nan 0.000 0.405 314 K N 0.088 120.456 120.400 -0.054 0.000 2.020 314 K HA -0.274 4.046 4.320 0.000 0.000 0.212 314 K C 2.263 178.915 176.600 0.086 0.000 1.050 314 K CA 2.090 58.379 56.287 0.002 0.000 0.929 314 K CB -0.542 31.933 32.500 -0.041 0.000 0.714 314 K HN 0.223 nan 8.250 nan 0.000 0.443 315 Y N 1.229 121.494 120.300 -0.058 0.000 2.256 315 Y HA -0.256 4.295 4.550 0.001 0.000 0.288 315 Y C 2.594 178.597 175.900 0.172 0.000 1.155 315 Y CA 1.630 59.784 58.100 0.090 0.000 1.203 315 Y CB -0.313 38.241 38.460 0.156 0.000 0.980 315 Y HN 0.026 nan 8.280 nan 0.000 0.530 316 S N -0.813 114.967 115.700 0.134 0.000 2.377 316 S HA -0.116 4.354 4.470 0.000 0.000 0.223 316 S C 1.684 176.371 174.600 0.145 0.000 1.030 316 S CA 1.387 59.674 58.200 0.146 0.000 0.970 316 S CB -0.302 62.970 63.200 0.120 0.000 0.830 316 S HN 0.537 nan 8.310 nan 0.000 0.473 317 D N 1.341 121.837 120.400 0.161 0.000 2.162 317 D HA 0.015 4.656 4.640 0.000 0.000 0.203 317 D C 1.477 177.900 176.300 0.206 0.000 0.967 317 D CA 1.129 55.237 54.000 0.180 0.000 0.840 317 D CB -0.177 40.700 40.800 0.128 0.000 0.972 317 D HN 0.811 nan 8.370 nan 0.000 0.482 318 N N -2.328 116.467 118.700 0.158 0.000 2.036 318 N HA 0.107 4.848 4.740 0.000 0.000 0.228 318 N C 1.066 176.653 175.510 0.128 0.000 1.368 318 N CA 0.584 53.754 53.050 0.199 0.000 0.846 318 N CB 1.698 40.289 38.487 0.172 0.000 1.145 318 N HN 0.090 nan 8.380 nan 0.000 0.502 319 G N 1.202 110.041 108.800 0.065 0.000 2.157 319 G HA2 -0.307 3.653 3.960 0.000 0.000 0.239 319 G HA3 -0.307 3.653 3.960 0.000 0.000 0.239 319 G C -0.116 175.007 174.900 0.371 0.000 0.982 319 G CA 0.307 45.455 45.100 0.080 0.000 0.650 319 G HN 0.532 nan 8.290 nan 0.000 0.527 320 S N 0.611 116.499 115.700 0.313 0.000 2.537 320 S HA 0.466 4.937 4.470 0.000 0.000 0.286 320 S C 1.490 176.390 174.600 0.500 0.000 1.299 320 S CA 1.367 59.757 58.200 0.316 0.000 1.067 320 S CB 0.687 63.994 63.200 0.177 0.000 0.864 320 S HN 1.324 nan 8.310 nan 0.000 0.494 321 T N 3.650 118.471 114.554 0.445 0.000 3.228 321 T HA 0.255 4.605 4.350 0.000 0.000 0.278 321 T C 0.224 175.113 174.700 0.315 0.000 1.014 321 T CA -0.558 61.789 62.100 0.412 0.000 0.904 321 T CB -0.199 68.852 68.868 0.304 0.000 1.110 321 T HN 0.458 nan 8.240 nan 0.000 0.541 322 L N 3.443 124.823 121.223 0.260 0.000 2.601 322 L HA 0.270 4.611 4.340 0.000 0.000 0.277 322 L C 1.172 178.181 176.870 0.233 0.000 1.219 322 L CA 1.718 56.672 54.840 0.189 0.000 0.915 322 L CB -0.138 42.000 42.059 0.133 0.000 1.160 322 L HN 0.816 nan 8.230 nan 0.000 0.494 323 S N 1.871 117.671 115.700 0.167 0.000 2.857 323 S HA -0.236 4.234 4.470 0.000 0.000 0.268 323 S C 0.580 175.238 174.600 0.097 0.000 1.297 323 S CA 0.525 58.806 58.200 0.134 0.000 1.280 323 S CB -2.527 60.747 63.200 0.124 0.000 1.562 323 S HN 2.013 nan 8.310 nan 0.000 0.661 324 A N 1.320 124.157 122.820 0.029 0.000 2.587 324 A HA 0.495 4.815 4.320 0.000 0.000 0.235 324 A C 1.513 178.983 177.584 -0.190 0.000 1.044 324 A CA 0.332 52.135 52.037 -0.391 0.000 0.754 324 A CB 0.178 18.813 19.000 -0.608 0.000 0.968 324 A HN 1.752 nan 8.150 nan 0.000 0.509 325 V N 0.021 119.803 119.914 -0.219 0.000 3.608 325 V HA 0.077 4.197 4.120 0.000 0.000 0.269 325 V C 0.922 176.966 176.094 -0.082 0.000 1.245 325 V CA 1.202 63.434 62.300 -0.113 0.000 1.138 325 V CB -0.752 31.007 31.823 -0.107 0.000 0.841 325 V HN 0.967 nan 8.190 nan 0.000 0.451 326 N N -1.782 116.864 118.700 -0.089 0.000 2.143 326 N HA 0.225 4.966 4.740 0.000 0.000 0.222 326 N C -0.510 175.065 175.510 0.108 0.000 1.264 326 N CA -0.214 52.827 53.050 -0.015 0.000 0.897 326 N CB 0.594 39.056 38.487 -0.041 0.000 1.092 326 N HN 0.459 nan 8.380 nan 0.000 0.516 327 F N 1.865 121.699 119.950 -0.193 0.000 2.618 327 F HA 0.673 5.200 4.527 0.000 0.000 0.332 327 F C -2.163 173.582 175.800 -0.091 0.000 1.061 327 F CA -2.050 55.848 58.000 -0.171 0.000 0.974 327 F CB 1.793 40.633 39.000 -0.266 0.000 1.310 327 F HN -0.206 nan 8.300 nan 0.000 0.491 328 P HA 0.193 nan 4.420 nan 0.000 0.286 328 P C -1.526 175.872 177.300 0.163 0.000 1.269 328 P CA -0.317 62.802 63.100 0.032 0.000 0.787 328 P CB 0.806 32.477 31.700 -0.048 0.000 0.920 329 E N 1.266 121.534 120.200 0.113 0.000 2.259 329 E HA 0.378 4.729 4.350 0.000 0.000 0.281 329 E C -0.229 176.355 176.600 -0.026 0.000 1.037 329 E CA -0.739 55.725 56.400 0.107 0.000 0.854 329 E CB 1.350 31.108 29.700 0.095 0.000 1.051 329 E HN 0.293 nan 8.360 nan 0.000 0.409 330 V N 0.803 120.685 119.914 -0.053 0.000 2.969 330 V HA 0.685 4.805 4.120 0.000 0.000 0.304 330 V C -1.351 174.602 176.094 -0.235 0.000 1.192 330 V CA -0.325 61.682 62.300 -0.489 0.000 0.962 330 V CB 2.323 33.661 31.823 -0.807 0.000 1.045 330 V HN 0.570 nan 8.190 nan 0.000 0.428 331 S N 5.308 120.825 115.700 -0.305 0.000 2.536 331 S HA 0.828 5.298 4.470 0.000 0.000 0.271 331 S C -1.743 172.924 174.600 0.111 0.000 1.134 331 S CA -0.593 57.602 58.200 -0.008 0.000 0.897 331 S CB 1.567 64.810 63.200 0.073 0.000 1.094 331 S HN 1.001 nan 8.310 nan 0.000 0.473 332 L N 4.579 125.863 121.223 0.102 0.000 2.470 332 L HA 0.525 4.866 4.340 0.000 0.000 0.268 332 L C -2.238 174.665 176.870 0.056 0.000 0.964 332 L CA -1.907 52.999 54.840 0.109 0.000 0.839 332 L CB 2.385 44.488 42.059 0.074 0.000 1.276 332 L HN 0.550 nan 8.230 nan 0.000 0.403 333 P HA 0.069 nan 4.420 nan 0.000 0.269 333 P C -0.863 176.434 177.300 -0.005 0.000 1.211 333 P CA -0.308 62.802 63.100 0.016 0.000 0.781 333 P CB 0.240 31.944 31.700 0.007 0.000 0.877 334 L N 0.840 122.084 121.223 0.035 0.000 2.360 334 L HA 0.593 4.933 4.340 0.000 0.000 0.276 334 L C 0.192 177.123 176.870 0.102 0.000 1.121 334 L CA -0.087 54.795 54.840 0.070 0.000 0.845 334 L CB -0.162 41.928 42.059 0.053 0.000 1.143 334 L HN 0.485 nan 8.230 nan 0.000 0.452 335 H N 1.317 120.437 119.070 0.084 0.000 3.029 335 H HA 0.581 5.138 4.556 0.000 0.000 0.358 335 H C -0.390 174.981 175.328 0.072 0.000 1.129 335 H CA -1.548 54.536 56.048 0.060 0.000 1.230 335 H CB 0.425 30.209 29.762 0.036 0.000 1.827 335 H HN 0.517 nan 8.280 nan 0.000 0.530 336 V N 2.281 122.342 119.914 0.245 0.000 3.089 336 V HA 0.185 4.306 4.120 0.000 0.000 0.242 336 V C 1.617 177.821 176.094 0.183 0.000 1.783 336 V CA 2.013 64.408 62.300 0.160 0.000 1.627 336 V CB -0.816 31.040 31.823 0.056 0.000 0.980 336 V HN 1.659 nan 8.190 nan 0.000 0.536 337 G N 3.456 112.343 108.800 0.145 0.000 2.428 337 G HA2 0.014 3.974 3.960 0.000 0.000 0.202 337 G HA3 0.014 3.974 3.960 0.000 0.000 0.202 337 G C -0.990 173.989 174.900 0.133 0.000 1.247 337 G CA -0.267 44.903 45.100 0.117 0.000 1.020 337 G HN 0.829 nan 8.290 nan 0.000 0.529 338 R N 0.044 120.569 120.500 0.041 0.000 2.599 338 R HA 0.771 5.111 4.340 0.000 0.000 0.295 338 R C 0.082 176.254 176.300 -0.214 0.000 0.963 338 R CA -1.029 55.036 56.100 -0.058 0.000 0.883 338 R CB 1.593 31.887 30.300 -0.010 0.000 1.171 338 R HN 0.861 nan 8.270 nan 0.000 0.450 339 R N 1.781 121.945 120.500 -0.559 0.000 2.532 339 R HA 0.673 5.014 4.340 0.000 0.000 0.295 339 R C -0.971 175.141 176.300 -0.315 0.000 0.968 339 R CA -0.360 55.442 56.100 -0.497 0.000 0.916 339 R CB 0.754 30.567 30.300 -0.812 0.000 1.124 339 R HN 0.448 nan 8.270 nan 0.000 0.463 340 L N 3.539 124.674 121.223 -0.147 0.000 2.359 340 L HA 0.670 5.010 4.340 0.000 0.000 0.256 340 L C -1.040 175.841 176.870 0.019 0.000 1.026 340 L CA -0.812 54.010 54.840 -0.030 0.000 0.828 340 L CB 2.132 44.230 42.059 0.064 0.000 1.406 340 L HN 0.839 nan 8.230 nan 0.000 0.413 341 M N -0.385 119.277 119.600 0.103 0.000 2.618 341 M HA 0.726 5.206 4.480 0.000 0.000 0.281 341 M C -1.195 175.289 176.300 0.307 0.000 1.267 341 M CA -0.531 54.879 55.300 0.184 0.000 0.845 341 M CB 2.036 34.789 32.600 0.255 0.000 1.732 341 M HN 0.472 nan 8.290 nan 0.000 0.461 342 H N -0.238 118.979 119.070 0.245 0.000 3.128 342 H HA 0.738 5.294 4.556 0.000 0.000 0.336 342 H C -2.276 173.211 175.328 0.264 0.000 1.026 342 H CA -0.569 55.625 56.048 0.243 0.000 1.376 342 H CB 1.099 30.999 29.762 0.230 0.000 1.882 342 H HN 0.777 nan 8.280 nan 0.000 0.479 343 I N 5.932 126.497 120.570 -0.008 0.000 2.562 343 I HA 0.434 4.604 4.170 0.000 0.000 0.301 343 I C -0.079 175.936 176.117 -0.169 0.000 1.003 343 I CA -0.149 61.108 61.300 -0.071 0.000 1.127 343 I CB 1.478 39.467 38.000 -0.017 0.000 1.304 343 I HN 0.789 nan 8.210 nan 0.000 0.446 344 H N 1.833 120.930 119.070 0.045 0.000 2.904 344 H HA 0.431 4.987 4.556 0.000 0.000 0.290 344 H C -1.664 173.689 175.328 0.042 0.000 1.437 344 H CA -1.056 55.030 56.048 0.063 0.000 1.147 344 H CB 0.730 30.642 29.762 0.250 0.000 1.824 344 H HN 0.523 nan 8.280 nan 0.000 0.505 345 E N 0.828 121.208 120.200 0.300 0.000 2.319 345 E HA 0.078 4.428 4.350 0.000 0.000 0.268 345 E C -0.397 176.348 176.600 0.242 0.000 1.050 345 E CA -0.882 55.620 56.400 0.170 0.000 0.878 345 E CB 1.311 31.066 29.700 0.092 0.000 1.066 345 E HN 0.372 nan 8.360 nan 0.000 0.406 346 N N 2.502 121.286 118.700 0.141 0.000 2.739 346 N HA 0.026 4.766 4.740 0.000 0.000 0.266 346 N C -1.153 174.402 175.510 0.075 0.000 1.168 346 N CA 0.144 53.273 53.050 0.131 0.000 1.055 346 N CB -0.060 38.472 38.487 0.075 0.000 1.393 346 N HN 0.331 nan 8.380 nan 0.000 0.514 347 R N 2.128 122.663 120.500 0.059 0.000 2.744 347 R HA 0.466 4.806 4.340 0.000 0.000 0.279 347 R C -2.403 173.892 176.300 -0.008 0.000 0.977 347 R CA -1.862 54.249 56.100 0.020 0.000 0.906 347 R CB 1.346 31.655 30.300 0.015 0.000 1.197 347 R HN 0.348 nan 8.270 nan 0.000 0.463 348 P HA -0.012 nan 4.420 nan 0.000 0.263 348 P C 0.550 177.830 177.300 -0.032 0.000 1.175 348 P CA 1.043 64.134 63.100 -0.015 0.000 0.761 348 P CB 0.562 32.258 31.700 -0.007 0.000 0.794 349 G N 0.543 109.317 108.800 -0.043 0.000 2.259 349 G HA2 -0.279 3.682 3.960 0.000 0.000 0.217 349 G HA3 -0.279 3.682 3.960 0.000 0.000 0.217 349 G C 0.932 175.783 174.900 -0.082 0.000 1.001 349 G CA 0.136 45.206 45.100 -0.049 0.000 0.627 349 G HN 0.383 nan 8.290 nan 0.000 0.501 350 V N 1.110 120.944 119.914 -0.133 0.000 2.270 350 V HA -0.018 4.102 4.120 0.000 0.000 0.245 350 V C 2.641 178.604 176.094 -0.218 0.000 1.043 350 V CA 2.141 64.306 62.300 -0.226 0.000 1.014 350 V CB -0.656 30.892 31.823 -0.459 0.000 0.645 350 V HN 0.367 nan 8.190 nan 0.000 0.447 351 L N 0.550 121.668 121.223 -0.175 0.000 2.012 351 L HA -0.180 4.160 4.340 0.000 0.000 0.210 351 L C 2.563 179.394 176.870 -0.064 0.000 1.073 351 L CA 2.662 57.438 54.840 -0.106 0.000 0.748 351 L CB -1.140 40.892 42.059 -0.045 0.000 0.891 351 L HN 0.460 nan 8.230 nan 0.000 0.431 352 T N -0.360 114.164 114.554 -0.051 0.000 2.622 352 T HA -0.239 4.111 4.350 0.000 0.000 0.266 352 T C 1.935 176.620 174.700 -0.025 0.000 1.047 352 T CA 1.539 63.623 62.100 -0.026 0.000 1.159 352 T CB -0.915 67.938 68.868 -0.024 0.000 0.863 352 T HN 0.490 nan 8.240 nan 0.000 0.422 353 A N 1.614 124.406 122.820 -0.047 0.000 1.896 353 A HA -0.151 4.169 4.320 0.000 0.000 0.220 353 A C 2.350 179.904 177.584 -0.049 0.000 1.206 353 A CA 1.919 53.926 52.037 -0.050 0.000 0.647 353 A CB -1.211 17.751 19.000 -0.063 0.000 0.828 353 A HN 0.502 nan 8.150 nan 0.000 0.455 354 L N -0.674 120.504 121.223 -0.075 0.000 2.042 354 L HA -0.233 4.107 4.340 0.000 0.000 0.210 354 L C 2.230 179.183 176.870 0.138 0.000 1.076 354 L CA 1.959 56.776 54.840 -0.038 0.000 0.749 354 L CB -0.430 41.554 42.059 -0.125 0.000 0.893 354 L HN 0.442 nan 8.230 nan 0.000 0.432 355 N N 0.108 118.877 118.700 0.115 0.000 2.171 355 N HA -0.212 4.528 4.740 0.000 0.000 0.184 355 N C 1.684 177.319 175.510 0.209 0.000 1.021 355 N CA 1.067 54.240 53.050 0.206 0.000 0.854 355 N CB -0.137 38.398 38.487 0.080 0.000 0.994 355 N HN 0.295 nan 8.380 nan 0.000 0.426 356 K N 1.103 121.550 120.400 0.078 0.000 2.089 356 K HA -0.133 4.187 4.320 0.000 0.000 0.210 356 K C 1.570 178.164 176.600 -0.010 0.000 1.048 356 K CA 1.117 57.422 56.287 0.030 0.000 0.926 356 K CB -0.055 32.442 32.500 -0.005 0.000 0.714 356 K HN -0.009 nan 8.250 nan 0.000 0.448 357 I N 0.458 120.973 120.570 -0.092 0.000 2.502 357 I HA -0.239 3.931 4.170 0.000 0.000 0.258 357 I C 1.571 177.437 176.117 -0.418 0.000 1.172 357 I CA 1.521 62.633 61.300 -0.313 0.000 1.430 357 I CB -1.116 36.564 38.000 -0.533 0.000 1.086 357 I HN 0.155 nan 8.210 nan 0.000 0.440 358 F N -0.006 119.938 119.950 -0.010 0.000 2.602 358 F HA 0.298 4.825 4.527 0.000 0.000 0.284 358 F C 2.413 178.211 175.800 -0.003 0.000 1.111 358 F CA 0.634 58.631 58.000 -0.005 0.000 1.405 358 F CB -0.755 38.242 39.000 -0.005 0.000 1.121 358 F HN -0.088 nan 8.300 nan 0.000 0.603 359 A N 0.955 123.884 122.820 0.181 0.000 1.835 359 A HA -0.232 4.088 4.320 0.000 0.000 0.215 359 A C 2.142 179.758 177.584 0.053 0.000 1.199 359 A CA 1.912 54.007 52.037 0.097 0.000 0.615 359 A CB -1.151 17.891 19.000 0.070 0.000 0.838 359 A HN 0.481 nan 8.150 nan 0.000 0.444 360 E N -0.100 120.115 120.200 0.025 0.000 2.331 360 E HA -0.261 4.090 4.350 0.000 0.000 0.199 360 E C 1.423 178.022 176.600 -0.001 0.000 1.008 360 E CA 1.456 57.858 56.400 0.003 0.000 0.843 360 E CB -0.293 29.398 29.700 -0.015 0.000 0.761 360 E HN 0.780 nan 8.360 nan 0.000 0.507 361 Q N -0.059 119.744 119.800 0.005 0.000 2.319 361 Q HA 0.127 4.468 4.340 0.000 0.000 0.202 361 Q C 0.586 176.607 176.000 0.034 0.000 0.896 361 Q CA 0.283 56.090 55.803 0.008 0.000 0.942 361 Q CB 0.815 29.547 28.738 -0.009 0.000 1.083 361 Q HN 0.492 nan 8.270 nan 0.000 0.510 362 G N 1.439 110.266 108.800 0.044 0.000 2.366 362 G HA2 -0.242 3.718 3.960 0.000 0.000 0.299 362 G HA3 -0.242 3.718 3.960 0.000 0.000 0.299 362 G C -0.170 174.771 174.900 0.068 0.000 1.020 362 G CA 0.091 45.220 45.100 0.049 0.000 1.026 362 G HN 0.199 nan 8.290 nan 0.000 0.512 363 V N 0.175 120.156 119.914 0.112 0.000 2.435 363 V HA 0.414 4.535 4.120 0.000 0.000 0.290 363 V C 0.479 176.633 176.094 0.100 0.000 1.030 363 V CA -1.049 61.331 62.300 0.134 0.000 0.881 363 V CB 1.891 33.852 31.823 0.231 0.000 0.983 363 V HN 0.478 nan 8.190 nan 0.000 0.445 364 N N 4.069 122.798 118.700 0.048 0.000 2.401 364 N HA 0.275 5.015 4.740 0.000 0.000 0.255 364 N C -0.324 175.161 175.510 -0.041 0.000 1.110 364 N CA -0.196 52.860 53.050 0.010 0.000 0.949 364 N CB 0.370 38.862 38.487 0.008 0.000 1.110 364 N HN 0.616 nan 8.380 nan 0.000 0.490 365 I N 3.582 124.102 120.570 -0.084 0.000 2.483 365 I HA 0.017 4.188 4.170 0.000 0.000 0.291 365 I C 1.431 177.509 176.117 -0.066 0.000 1.112 365 I CA -0.341 60.865 61.300 -0.157 0.000 1.350 365 I CB 0.559 38.449 38.000 -0.184 0.000 1.419 365 I HN 0.672 nan 8.210 nan 0.000 0.523 366 A N 5.753 128.559 122.820 -0.023 0.000 1.898 366 A HA 0.308 4.628 4.320 0.000 0.000 0.216 366 A C 1.139 178.773 177.584 0.082 0.000 1.181 366 A CA 1.497 53.589 52.037 0.092 0.000 0.620 366 A CB 0.010 19.165 19.000 0.257 0.000 0.819 366 A HN 0.759 nan 8.150 nan 0.000 0.442 367 A N -1.956 120.856 122.820 -0.013 0.000 2.609 367 A HA 0.682 5.002 4.320 0.000 0.000 0.291 367 A C -0.862 176.678 177.584 -0.073 0.000 1.096 367 A CA -0.051 51.952 52.037 -0.057 0.000 0.684 367 A CB 1.096 20.016 19.000 -0.134 0.000 1.282 367 A HN 0.586 nan 8.150 nan 0.000 0.412 368 Q N 0.090 119.860 119.800 -0.050 0.000 2.438 368 Q HA 0.564 4.905 4.340 0.000 0.000 0.272 368 Q C -2.612 173.413 176.000 0.041 0.000 0.994 368 Q CA -0.584 55.204 55.803 -0.025 0.000 0.887 368 Q CB 1.906 30.613 28.738 -0.050 0.000 1.432 368 Q HN 0.997 nan 8.270 nan 0.000 0.392 369 Y N 4.327 124.573 120.300 -0.090 0.000 2.421 369 Y HA 0.659 5.209 4.550 0.000 0.000 0.339 369 Y C -2.101 173.741 175.900 -0.096 0.000 0.996 369 Y CA -1.288 56.767 58.100 -0.076 0.000 1.046 369 Y CB 1.825 40.243 38.460 -0.070 0.000 1.226 369 Y HN 0.686 nan 8.280 nan 0.000 0.445 370 L N 6.432 127.912 121.223 0.429 0.000 2.436 370 L HA 0.626 4.966 4.340 0.000 0.000 0.268 370 L C -1.933 175.077 176.870 0.234 0.000 0.974 370 L CA -0.354 54.600 54.840 0.191 0.000 0.826 370 L CB 2.078 44.216 42.059 0.133 0.000 1.291 370 L HN 0.746 nan 8.230 nan 0.000 0.406 371 Q N 1.967 121.837 119.800 0.117 0.000 2.484 371 Q HA 0.715 5.055 4.340 0.000 0.000 0.285 371 Q C -1.550 174.488 176.000 0.064 0.000 1.097 371 Q CA -0.367 55.507 55.803 0.118 0.000 0.802 371 Q CB 2.534 31.324 28.738 0.087 0.000 1.444 371 Q HN 0.772 nan 8.270 nan 0.000 0.429 372 T N 0.872 115.454 114.554 0.047 0.000 3.483 372 T HA 0.427 4.777 4.350 0.000 0.000 0.329 372 T C -0.860 173.841 174.700 0.001 0.000 1.014 372 T CA -0.309 61.804 62.100 0.021 0.000 1.056 372 T CB 0.571 69.474 68.868 0.058 0.000 1.090 372 T HN 0.656 nan 8.240 nan 0.000 0.460 373 S N 2.530 118.205 115.700 -0.043 0.000 2.713 373 S HA 0.775 5.246 4.470 0.000 0.000 0.277 373 S C 2.046 176.631 174.600 -0.024 0.000 1.168 373 S CA -0.150 58.027 58.200 -0.037 0.000 0.994 373 S CB 0.806 63.962 63.200 -0.073 0.000 1.054 373 S HN 0.856 nan 8.310 nan 0.000 0.555 374 A N 1.053 123.863 122.820 -0.017 0.000 1.909 374 A HA -0.256 4.064 4.320 0.000 0.000 0.221 374 A C 2.245 179.824 177.584 -0.009 0.000 1.223 374 A CA 2.412 54.444 52.037 -0.009 0.000 0.658 374 A CB -1.284 17.711 19.000 -0.008 0.000 0.831 374 A HN 0.963 nan 8.150 nan 0.000 0.462 375 Q N -2.819 116.966 119.800 -0.024 0.000 2.246 375 Q HA 0.529 4.870 4.340 0.000 0.000 0.222 375 Q C 0.586 176.570 176.000 -0.025 0.000 0.851 375 Q CA -0.059 55.734 55.803 -0.016 0.000 0.945 375 Q CB 0.279 29.008 28.738 -0.015 0.000 1.122 375 Q HN 0.672 nan 8.270 nan 0.000 0.508 376 M N 0.547 120.106 119.600 -0.068 0.000 2.716 376 M HA 0.699 5.179 4.480 0.000 0.000 0.307 376 M C -1.349 174.878 176.300 -0.121 0.000 1.223 376 M CA -0.618 54.612 55.300 -0.116 0.000 0.871 376 M CB 2.535 34.994 32.600 -0.235 0.000 1.739 376 M HN 0.123 nan 8.290 nan 0.000 0.475 377 G N 1.451 110.137 108.800 -0.189 0.000 2.638 377 G HA2 0.601 4.562 3.960 0.000 0.000 0.302 377 G HA3 0.601 4.562 3.960 0.000 0.000 0.302 377 G C -2.726 171.917 174.900 -0.429 0.000 1.365 377 G CA -0.215 44.761 45.100 -0.207 0.000 0.987 377 G HN 0.640 nan 8.290 nan 0.000 0.495 378 Y N 1.324 121.437 120.300 -0.312 0.000 2.477 378 Y HA 0.757 5.307 4.550 0.000 0.000 0.347 378 Y C -1.432 174.463 175.900 -0.008 0.000 0.981 378 Y CA -1.796 56.194 58.100 -0.183 0.000 1.033 378 Y CB 2.372 40.772 38.460 -0.101 0.000 1.245 378 Y HN 0.735 nan 8.280 nan 0.000 0.455 379 V N 6.829 126.565 119.914 -0.298 0.000 2.752 379 V HA 0.634 4.754 4.120 0.000 0.000 0.302 379 V C -1.848 174.068 176.094 -0.296 0.000 1.133 379 V CA -0.539 61.605 62.300 -0.260 0.000 0.919 379 V CB 1.849 33.703 31.823 0.052 0.000 1.026 379 V HN 0.693 nan 8.190 nan 0.000 0.429 380 V N 7.370 127.096 119.914 -0.314 0.000 2.716 380 V HA 0.677 4.797 4.120 0.000 0.000 0.304 380 V C -0.572 175.469 176.094 -0.087 0.000 1.053 380 V CA -0.510 61.682 62.300 -0.181 0.000 0.984 380 V CB 1.798 33.511 31.823 -0.182 0.000 1.021 380 V HN 0.735 nan 8.190 nan 0.000 0.467 381 I N 2.435 122.953 120.570 -0.087 0.000 2.586 381 I HA 0.369 4.539 4.170 0.000 0.000 0.288 381 I C -0.657 175.371 176.117 -0.148 0.000 1.147 381 I CA -0.182 61.045 61.300 -0.122 0.000 1.047 381 I CB 1.919 39.827 38.000 -0.154 0.000 1.244 381 I HN 0.515 nan 8.210 nan 0.000 0.429 382 D N 6.870 127.186 120.400 -0.141 0.000 2.193 382 D HA 0.738 5.379 4.640 0.000 0.000 0.249 382 D C -0.421 175.794 176.300 -0.142 0.000 1.034 382 D CA -0.073 53.858 54.000 -0.116 0.000 0.902 382 D CB 2.421 43.182 40.800 -0.065 0.000 1.182 382 D HN 0.534 nan 8.370 nan 0.000 0.436 383 I N -2.407 118.100 120.570 -0.105 0.000 2.841 383 I HA 0.398 4.569 4.170 0.000 0.000 0.298 383 I C -1.213 174.896 176.117 -0.013 0.000 1.304 383 I CA -0.918 60.312 61.300 -0.117 0.000 1.019 383 I CB 2.491 40.355 38.000 -0.227 0.000 1.282 383 I HN -0.003 nan 8.210 nan 0.000 0.432 384 E N 3.823 124.026 120.200 0.006 0.000 2.014 384 E HA 0.748 5.099 4.350 0.000 0.000 0.275 384 E C -0.491 176.138 176.600 0.049 0.000 0.997 384 E CA -0.265 56.154 56.400 0.032 0.000 0.804 384 E CB 1.486 31.200 29.700 0.022 0.000 1.090 384 E HN 0.777 nan 8.360 nan 0.000 0.401 385 A N 3.287 126.141 122.820 0.057 0.000 2.564 385 A HA 0.421 4.741 4.320 0.000 0.000 0.291 385 A C -1.340 176.280 177.584 0.060 0.000 1.102 385 A CA -0.924 51.154 52.037 0.068 0.000 0.660 385 A CB 1.291 20.351 19.000 0.101 0.000 1.283 385 A HN 0.426 nan 8.150 nan 0.000 0.430 386 D N 0.066 120.500 120.400 0.055 0.000 2.313 386 D HA 0.257 4.897 4.640 0.000 0.000 0.247 386 D C 1.145 177.476 176.300 0.052 0.000 1.094 386 D CA -0.115 53.914 54.000 0.048 0.000 0.925 386 D CB 1.559 42.382 40.800 0.039 0.000 1.188 386 D HN 0.639 nan 8.370 nan 0.000 0.430 387 E N 0.889 121.118 120.200 0.049 0.000 2.070 387 E HA -0.260 4.090 4.350 0.000 0.000 0.197 387 E C 0.620 177.246 176.600 0.043 0.000 1.004 387 E CA 1.682 58.111 56.400 0.049 0.000 0.805 387 E CB 0.209 29.937 29.700 0.046 0.000 0.744 387 E HN 0.425 nan 8.360 nan 0.000 0.451 388 D N -0.135 120.286 120.400 0.036 0.000 2.126 388 D HA -0.219 4.421 4.640 0.000 0.000 0.190 388 D C 1.984 178.302 176.300 0.030 0.000 1.001 388 D CA 2.005 56.023 54.000 0.029 0.000 0.841 388 D CB -0.381 40.434 40.800 0.024 0.000 0.949 388 D HN 0.158 nan 8.370 nan 0.000 0.446 389 V N 0.625 120.561 119.914 0.037 0.000 2.515 389 V HA -0.152 3.968 4.120 0.000 0.000 0.250 389 V C 2.399 178.523 176.094 0.050 0.000 1.058 389 V CA 1.516 63.839 62.300 0.039 0.000 1.064 389 V CB -1.049 30.806 31.823 0.053 0.000 0.675 389 V HN 0.261 nan 8.190 nan 0.000 0.461 390 A N 0.572 123.433 122.820 0.069 0.000 1.858 390 A HA -0.201 4.119 4.320 0.000 0.000 0.216 390 A C 2.230 179.849 177.584 0.058 0.000 1.190 390 A CA 1.777 53.865 52.037 0.085 0.000 0.617 390 A CB -0.492 18.553 19.000 0.075 0.000 0.827 390 A HN 0.576 nan 8.150 nan 0.000 0.443 391 E N 0.666 120.892 120.200 0.043 0.000 2.049 391 E HA -0.254 4.097 4.350 0.000 0.000 0.198 391 E C 1.891 178.502 176.600 0.019 0.000 1.007 391 E CA 1.564 57.984 56.400 0.033 0.000 0.809 391 E CB -0.510 29.207 29.700 0.028 0.000 0.749 391 E HN 0.609 nan 8.360 nan 0.000 0.450 392 K N 0.894 121.298 120.400 0.007 0.000 2.063 392 K HA -0.095 4.225 4.320 0.000 0.000 0.208 392 K C 2.285 178.863 176.600 -0.037 0.000 1.048 392 K CA 1.232 57.511 56.287 -0.013 0.000 0.928 392 K CB -0.468 32.020 32.500 -0.019 0.000 0.713 392 K HN 0.129 nan 8.250 nan 0.000 0.442 393 A N 2.089 124.880 122.820 -0.049 0.000 1.902 393 A HA -0.157 4.164 4.320 0.000 0.000 0.217 393 A C 2.246 179.803 177.584 -0.046 0.000 1.181 393 A CA 1.168 53.132 52.037 -0.122 0.000 0.623 393 A CB -0.611 18.302 19.000 -0.146 0.000 0.818 393 A HN 0.203 nan 8.150 nan 0.000 0.443 394 L N -0.442 120.797 121.223 0.026 0.000 2.013 394 L HA -0.250 4.090 4.340 0.000 0.000 0.212 394 L C 2.445 179.342 176.870 0.045 0.000 1.073 394 L CA 2.668 57.544 54.840 0.060 0.000 0.753 394 L CB -1.031 41.062 42.059 0.058 0.000 0.890 394 L HN 0.445 nan 8.230 nan 0.000 0.432 395 Q N -0.558 119.254 119.800 0.020 0.000 2.014 395 Q HA -0.185 4.155 4.340 0.000 0.000 0.207 395 Q C 2.267 178.273 176.000 0.010 0.000 0.993 395 Q CA 2.510 58.321 55.803 0.014 0.000 0.850 395 Q CB -0.748 27.992 28.738 0.003 0.000 0.916 395 Q HN 0.646 nan 8.270 nan 0.000 0.417 396 A N -0.203 122.606 122.820 -0.019 0.000 1.940 396 A HA -0.239 4.081 4.320 0.000 0.000 0.219 396 A C 2.075 179.660 177.584 0.002 0.000 1.176 396 A CA 1.946 53.964 52.037 -0.032 0.000 0.631 396 A CB -0.618 18.328 19.000 -0.091 0.000 0.814 396 A HN 0.467 nan 8.150 nan 0.000 0.446 397 M N -1.049 118.570 119.600 0.032 0.000 2.086 397 M HA -0.187 4.293 4.480 0.000 0.000 0.261 397 M C 2.151 178.575 176.300 0.205 0.000 1.067 397 M CA 1.971 57.353 55.300 0.137 0.000 1.116 397 M CB -0.443 32.293 32.600 0.228 0.000 1.348 397 M HN 0.278 nan 8.290 nan 0.000 0.407 398 K N 0.618 121.094 120.400 0.127 0.000 2.113 398 K HA -0.144 4.176 4.320 0.000 0.000 0.208 398 K C 1.983 178.629 176.600 0.076 0.000 1.047 398 K CA 1.597 57.935 56.287 0.084 0.000 0.928 398 K CB -0.321 32.208 32.500 0.047 0.000 0.716 398 K HN 0.349 nan 8.250 nan 0.000 0.446 399 A N 0.989 123.846 122.820 0.061 0.000 2.067 399 A HA -0.036 4.284 4.320 0.000 0.000 0.219 399 A C 0.855 178.471 177.584 0.053 0.000 1.158 399 A CA 0.506 52.568 52.037 0.042 0.000 0.661 399 A CB -0.510 18.502 19.000 0.019 0.000 0.801 399 A HN 0.188 nan 8.150 nan 0.000 0.452 400 I N 1.932 122.555 120.570 0.089 0.000 2.662 400 I HA 0.055 4.225 4.170 0.000 0.000 0.285 400 I C -2.055 174.108 176.117 0.077 0.000 1.161 400 I CA -1.559 59.788 61.300 0.077 0.000 1.415 400 I CB 0.314 38.366 38.000 0.088 0.000 1.385 400 I HN 0.061 nan 8.210 nan 0.000 0.552 401 P HA -0.093 nan 4.420 nan 0.000 0.259 401 P C 0.944 178.275 177.300 0.052 0.000 1.163 401 P CA 0.990 64.111 63.100 0.035 0.000 0.760 401 P CB 0.398 32.108 31.700 0.015 0.000 0.762 402 G N 2.116 110.954 108.800 0.062 0.000 2.217 402 G HA2 -0.251 3.710 3.960 0.000 0.000 0.246 402 G HA3 -0.251 3.710 3.960 0.000 0.000 0.246 402 G C 0.361 175.347 174.900 0.144 0.000 0.990 402 G CA 0.188 45.340 45.100 0.087 0.000 0.627 402 G HN 0.618 nan 8.290 nan 0.000 0.522 403 T N 1.233 115.882 114.554 0.158 0.000 2.866 403 T HA 0.296 4.647 4.350 0.000 0.000 0.293 403 T C 1.854 176.562 174.700 0.013 0.000 1.005 403 T CA 0.824 62.987 62.100 0.105 0.000 1.162 403 T CB 0.820 69.737 68.868 0.081 0.000 0.968 403 T HN 0.296 nan 8.240 nan 0.000 0.530 404 I N 1.789 122.334 120.570 -0.042 0.000 2.729 404 I HA 0.220 4.390 4.170 0.000 0.000 0.256 404 I C 1.343 177.418 176.117 -0.070 0.000 1.115 404 I CA 0.464 61.739 61.300 -0.042 0.000 1.446 404 I CB 0.240 38.220 38.000 -0.034 0.000 1.176 404 I HN 0.478 nan 8.210 nan 0.000 0.446 405 R N 0.383 120.805 120.500 -0.130 0.000 2.712 405 R HA 0.678 5.018 4.340 0.000 0.000 0.272 405 R C -2.132 174.091 176.300 -0.128 0.000 1.032 405 R CA -0.391 55.655 56.100 -0.090 0.000 0.874 405 R CB 2.212 32.493 30.300 -0.031 0.000 1.256 405 R HN 0.045 nan 8.270 nan 0.000 0.468 406 A N 2.155 124.953 122.820 -0.036 0.000 2.602 406 A HA 0.830 5.150 4.320 0.000 0.000 0.290 406 A C -1.551 176.068 177.584 0.059 0.000 1.114 406 A CA -0.739 51.319 52.037 0.036 0.000 0.683 406 A CB 2.159 21.209 19.000 0.084 0.000 1.281 406 A HN 0.653 nan 8.150 nan 0.000 0.416 407 R N -0.593 119.956 120.500 0.081 0.000 2.687 407 R HA 0.414 4.754 4.340 0.000 0.000 0.265 407 R C -2.414 173.914 176.300 0.048 0.000 1.048 407 R CA -0.743 55.389 56.100 0.055 0.000 0.884 407 R CB 1.685 32.007 30.300 0.037 0.000 1.258 407 R HN 0.879 nan 8.270 nan 0.000 0.469 408 L N 5.315 126.557 121.223 0.032 0.000 2.371 408 L HA 0.324 4.664 4.340 0.000 0.000 0.262 408 L C 0.566 177.428 176.870 -0.013 0.000 1.054 408 L CA -0.031 54.813 54.840 0.007 0.000 0.924 408 L CB 0.722 42.797 42.059 0.027 0.000 1.295 408 L HN 0.740 nan 8.230 nan 0.000 0.441 409 L N 3.801 124.980 121.223 -0.073 0.000 2.187 409 L HA -0.042 4.298 4.340 0.000 0.000 0.213 409 L C 0.239 177.193 176.870 0.139 0.000 1.100 409 L CA 1.145 55.984 54.840 -0.001 0.000 0.765 409 L CB -1.230 40.822 42.059 -0.010 0.000 0.904 409 L HN 0.778 nan 8.230 nan 0.000 0.437 410 Y N 0.000 120.325 120.300 0.042 0.000 2.660 410 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 410 Y CA 0.000 58.122 58.100 0.037 0.000 1.940 410 Y CB 0.000 38.478 38.460 0.030 0.000 1.050 410 Y HN 0.000 nan 8.280 nan 0.000 0.758