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 2i5j_1_B DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HXXXXXXXXX GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQL 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.319 177.300 0.032 0.000 1.155 1 P CA 0.000 63.116 63.100 0.027 0.000 0.800 1 P CB 0.000 31.715 31.700 0.025 0.000 0.726 2 I N 1.048 121.638 120.570 0.034 0.000 2.918 2 I HA 0.494 4.663 4.170 -0.001 0.000 0.301 2 I C -0.615 175.527 176.117 0.040 0.000 1.312 2 I CA -0.492 60.832 61.300 0.040 0.000 1.007 2 I CB 2.296 40.321 38.000 0.043 0.000 1.281 2 I HN 0.220 nan 8.210 nan 0.000 0.440 3 S N 4.778 120.505 115.700 0.045 0.000 2.671 3 S HA 0.592 5.061 4.470 -0.001 0.000 0.272 3 S C -2.603 172.025 174.600 0.046 0.000 1.174 3 S CA -1.042 57.184 58.200 0.045 0.000 1.004 3 S CB 0.255 63.484 63.200 0.048 0.000 1.077 3 S HN 0.473 nan 8.310 nan 0.000 0.553 4 P HA 0.204 nan 4.420 nan 0.000 0.258 4 P C -0.860 176.471 177.300 0.053 0.000 1.214 4 P CA 0.327 63.454 63.100 0.045 0.000 0.872 4 P CB -0.586 31.139 31.700 0.042 0.000 0.890 5 I N 2.797 123.399 120.570 0.055 0.000 2.270 5 I HA 0.092 4.262 4.170 -0.001 0.000 0.300 5 I C 0.936 177.092 176.117 0.064 0.000 1.186 5 I CA 0.121 61.459 61.300 0.063 0.000 1.431 5 I CB -0.389 37.649 38.000 0.063 0.000 1.485 5 I HN 0.281 nan 8.210 nan 0.000 0.650 6 E N 5.020 125.259 120.200 0.066 0.000 2.081 6 E HA 0.281 4.630 4.350 -0.001 0.000 0.276 6 E C -0.288 176.358 176.600 0.077 0.000 0.950 6 E CA -0.511 55.928 56.400 0.065 0.000 0.776 6 E CB 0.994 30.727 29.700 0.054 0.000 1.094 6 E HN 0.538 nan 8.360 nan 0.000 0.402 7 T N 0.044 114.648 114.554 0.082 0.000 2.888 7 T HA 0.377 4.726 4.350 -0.001 0.000 0.284 7 T C -0.067 174.688 174.700 0.093 0.000 1.017 7 T CA -0.867 61.291 62.100 0.097 0.000 1.022 7 T CB 1.433 70.362 68.868 0.101 0.000 1.013 7 T HN 0.109 nan 8.240 nan 0.000 0.465 8 V N 4.912 124.893 119.914 0.111 0.000 2.421 8 V HA 0.241 4.360 4.120 -0.001 0.000 0.271 8 V C -2.014 174.142 176.094 0.103 0.000 1.031 8 V CA -1.254 61.123 62.300 0.128 0.000 1.032 8 V CB 0.047 31.984 31.823 0.190 0.000 1.009 8 V HN 0.799 nan 8.190 nan 0.000 0.477 9 P HA 0.194 nan 4.420 nan 0.000 0.271 9 P C -0.575 176.707 177.300 -0.029 0.000 1.220 9 P CA 0.128 63.250 63.100 0.038 0.000 0.768 9 P CB 0.757 32.490 31.700 0.055 0.000 0.848 10 V N 4.168 123.950 119.914 -0.221 0.000 2.667 10 V HA 0.566 4.685 4.120 -0.001 0.000 0.308 10 V C 0.243 176.130 176.094 -0.345 0.000 1.048 10 V CA -0.403 61.549 62.300 -0.580 0.000 0.928 10 V CB 1.696 32.757 31.823 -1.269 0.000 1.004 10 V HN 0.523 nan 8.190 nan 0.000 0.444 11 K N 3.642 123.871 120.400 -0.286 0.000 2.477 11 K HA 0.758 5.078 4.320 -0.001 0.000 0.255 11 K C -1.778 174.773 176.600 -0.081 0.000 0.952 11 K CA -0.858 55.377 56.287 -0.086 0.000 0.826 11 K CB 2.165 34.664 32.500 -0.000 0.000 1.331 11 K HN 0.559 nan 8.250 nan 0.000 0.437 12 L N 1.750 122.944 121.223 -0.048 0.000 2.334 12 L HA 0.502 4.841 4.340 -0.001 0.000 0.275 12 L C 0.025 176.883 176.870 -0.020 0.000 1.036 12 L CA -1.353 53.458 54.840 -0.048 0.000 0.807 12 L CB 1.150 43.130 42.059 -0.131 0.000 1.231 12 L HN 0.611 nan 8.230 nan 0.000 0.438 13 K N 2.689 123.081 120.400 -0.013 0.000 2.168 13 K HA 0.268 4.587 4.320 -0.001 0.000 0.258 13 K C -2.278 174.320 176.600 -0.003 0.000 1.010 13 K CA -1.653 54.630 56.287 -0.007 0.000 0.929 13 K CB 0.334 32.825 32.500 -0.015 0.000 0.998 13 K HN 0.242 nan 8.250 nan 0.000 0.479 14 P HA 0.032 nan 4.420 nan 0.000 0.260 14 P C 0.204 177.510 177.300 0.010 0.000 1.185 14 P CA 0.671 63.777 63.100 0.010 0.000 0.763 14 P CB 0.265 31.971 31.700 0.011 0.000 0.776 15 G N 2.255 111.065 108.800 0.017 0.000 2.192 15 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.193 15 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.193 15 G C -0.096 174.818 174.900 0.024 0.000 0.999 15 G CA -0.372 44.739 45.100 0.019 0.000 0.659 15 G HN 0.497 nan 8.290 nan 0.000 0.503 16 M N 0.888 120.499 119.600 0.019 0.000 2.393 16 M HA 0.527 5.007 4.480 -0.001 0.000 0.316 16 M C -1.169 175.142 176.300 0.018 0.000 1.087 16 M CA -0.697 54.615 55.300 0.020 0.000 0.937 16 M CB 2.119 34.723 32.600 0.007 0.000 1.668 16 M HN 0.155 nan 8.290 nan 0.000 0.438 17 D N 1.211 121.645 120.400 0.057 0.000 2.272 17 D HA 0.564 5.203 4.640 -0.001 0.000 0.247 17 D C 0.269 176.621 176.300 0.085 0.000 0.990 17 D CA 0.050 54.120 54.000 0.117 0.000 0.931 17 D CB 1.602 42.526 40.800 0.207 0.000 1.195 17 D HN 0.693 nan 8.370 nan 0.000 0.477 18 G N 1.522 110.357 108.800 0.059 0.000 2.818 18 G HA2 0.157 4.116 3.960 -0.001 0.000 0.235 18 G HA3 0.157 4.116 3.960 -0.001 0.000 0.235 18 G C -2.127 172.892 174.900 0.200 0.000 1.244 18 G CA -0.765 44.258 45.100 -0.128 0.000 0.853 18 G HN 0.511 nan 8.290 nan 0.000 0.596 19 P HA 0.259 nan 4.420 nan 0.000 0.275 19 P C -0.902 176.579 177.300 0.301 0.000 1.227 19 P CA -0.148 63.086 63.100 0.223 0.000 0.781 19 P CB 1.182 32.994 31.700 0.187 0.000 0.906 20 K N 1.956 122.480 120.400 0.207 0.000 2.753 20 K HA 0.359 4.678 4.320 -0.001 0.000 0.185 20 K C -0.912 175.744 176.600 0.092 0.000 1.071 20 K CA -0.499 55.874 56.287 0.144 0.000 0.999 20 K CB 1.177 33.735 32.500 0.096 0.000 1.244 20 K HN 0.224 nan 8.250 nan 0.000 0.594 21 V N 2.334 122.306 119.914 0.096 0.000 2.483 21 V HA 0.242 4.361 4.120 -0.001 0.000 0.295 21 V C -0.128 175.977 176.094 0.019 0.000 1.035 21 V CA -1.129 61.215 62.300 0.075 0.000 0.896 21 V CB 1.382 33.281 31.823 0.126 0.000 0.986 21 V HN 0.510 nan 8.190 nan 0.000 0.447 22 K N 2.767 123.138 120.400 -0.048 0.000 2.379 22 K HA 0.310 4.629 4.320 -0.001 0.000 0.284 22 K C -0.203 176.283 176.600 -0.191 0.000 1.044 22 K CA -0.187 56.014 56.287 -0.143 0.000 0.974 22 K CB 0.439 32.800 32.500 -0.232 0.000 0.962 22 K HN 0.591 nan 8.250 nan 0.000 0.474 23 Q N 3.468 123.183 119.800 -0.141 0.000 2.297 23 Q HA 0.123 4.462 4.340 -0.001 0.000 0.267 23 Q C -1.276 174.620 176.000 -0.173 0.000 1.006 23 Q CA 0.194 55.932 55.803 -0.108 0.000 0.896 23 Q CB 0.319 29.010 28.738 -0.078 0.000 1.186 23 Q HN 0.618 nan 8.270 nan 0.000 0.392 24 W N 5.917 127.115 121.300 -0.170 0.000 2.150 24 W HA 0.276 4.935 4.660 -0.001 0.000 0.341 24 W C -1.737 174.697 176.519 -0.141 0.000 1.276 24 W CA -1.536 55.735 57.345 -0.124 0.000 1.238 24 W CB 0.192 29.587 29.460 -0.109 0.000 1.128 24 W HN 0.571 nan 8.180 nan 0.000 0.581 25 P HA 0.216 nan 4.420 nan 0.000 0.287 25 P C -0.910 176.400 177.300 0.017 0.000 1.294 25 P CA 0.154 63.269 63.100 0.025 0.000 0.776 25 P CB 0.688 32.392 31.700 0.006 0.000 0.889 26 L N 2.271 123.468 121.223 -0.042 0.000 2.358 26 L HA 0.471 4.810 4.340 -0.001 0.000 0.268 26 L C 1.070 177.878 176.870 -0.104 0.000 1.032 26 L CA -0.857 53.932 54.840 -0.085 0.000 0.805 26 L CB 0.779 42.767 42.059 -0.118 0.000 1.253 26 L HN 0.215 nan 8.230 nan 0.000 0.452 27 T N -0.166 114.310 114.554 -0.130 0.000 2.930 27 T HA -0.042 4.308 4.350 -0.001 0.000 0.306 27 T C 1.143 175.770 174.700 -0.123 0.000 1.045 27 T CA -0.062 61.969 62.100 -0.114 0.000 1.134 27 T CB 0.937 69.741 68.868 -0.106 0.000 0.961 27 T HN 0.724 nan 8.240 nan 0.000 0.545 28 E N 1.769 121.916 120.200 -0.090 0.000 2.284 28 E HA -0.263 4.086 4.350 -0.001 0.000 0.200 28 E C 1.816 178.347 176.600 -0.115 0.000 1.008 28 E CA 1.581 57.929 56.400 -0.087 0.000 0.829 28 E CB 0.121 29.788 29.700 -0.056 0.000 0.744 28 E HN 0.812 nan 8.360 nan 0.000 0.491 29 E N 0.506 120.631 120.200 -0.125 0.000 2.006 29 E HA -0.207 4.142 4.350 -0.001 0.000 0.192 29 E C 1.927 178.301 176.600 -0.377 0.000 0.993 29 E CA 1.406 57.710 56.400 -0.159 0.000 0.808 29 E CB 0.083 29.743 29.700 -0.067 0.000 0.764 29 E HN 0.131 nan 8.360 nan 0.000 0.449 30 K N 0.324 120.421 120.400 -0.504 0.000 2.113 30 K HA -0.177 4.142 4.320 -0.001 0.000 0.208 30 K C 2.306 178.645 176.600 -0.436 0.000 1.047 30 K CA 1.485 57.350 56.287 -0.705 0.000 0.928 30 K CB -0.381 31.807 32.500 -0.519 0.000 0.716 30 K HN 0.334 nan 8.250 nan 0.000 0.446 31 I N 1.598 122.006 120.570 -0.270 0.000 2.099 31 I HA -0.308 3.862 4.170 -0.001 0.000 0.239 31 I C 2.297 178.316 176.117 -0.162 0.000 1.066 31 I CA 1.530 62.724 61.300 -0.176 0.000 1.324 31 I CB -0.401 37.525 38.000 -0.124 0.000 1.037 31 I HN 0.112 nan 8.210 nan 0.000 0.401 32 K N 0.881 121.184 120.400 -0.160 0.000 2.160 32 K HA -0.202 4.117 4.320 -0.001 0.000 0.206 32 K C 2.192 178.720 176.600 -0.121 0.000 1.047 32 K CA 1.586 57.805 56.287 -0.114 0.000 0.930 32 K CB -0.293 32.155 32.500 -0.086 0.000 0.720 32 K HN 0.410 nan 8.250 nan 0.000 0.450 33 A N 1.181 123.861 122.820 -0.234 0.000 1.855 33 A HA -0.062 4.257 4.320 -0.001 0.000 0.213 33 A C 2.073 179.587 177.584 -0.116 0.000 1.195 33 A CA 0.896 52.810 52.037 -0.205 0.000 0.610 33 A CB -0.572 18.086 19.000 -0.570 0.000 0.837 33 A HN 0.142 nan 8.150 nan 0.000 0.444 34 L N -0.013 121.117 121.223 -0.154 0.000 2.189 34 L HA -0.193 4.146 4.340 -0.001 0.000 0.214 34 L C 2.426 179.288 176.870 -0.014 0.000 1.097 34 L CA 0.921 55.728 54.840 -0.056 0.000 0.764 34 L CB -0.589 41.438 42.059 -0.053 0.000 0.900 34 L HN 0.257 nan 8.230 nan 0.000 0.436 35 V N 0.422 120.316 119.914 -0.033 0.000 2.307 35 V HA -0.255 3.864 4.120 -0.001 0.000 0.245 35 V C 2.540 178.633 176.094 -0.002 0.000 1.045 35 V CA 2.096 64.394 62.300 -0.004 0.000 1.024 35 V CB -0.696 31.116 31.823 -0.019 0.000 0.651 35 V HN 0.647 nan 8.190 nan 0.000 0.449 36 E N 0.670 120.865 120.200 -0.008 0.000 2.051 36 E HA -0.210 4.139 4.350 -0.001 0.000 0.192 36 E C 2.213 178.810 176.600 -0.004 0.000 0.991 36 E CA 1.817 58.218 56.400 0.002 0.000 0.799 36 E CB -0.513 29.198 29.700 0.017 0.000 0.748 36 E HN 0.539 nan 8.360 nan 0.000 0.449 37 I N 1.577 122.148 120.570 0.001 0.000 2.087 37 I HA -0.382 3.787 4.170 -0.001 0.000 0.240 37 I C 2.756 178.834 176.117 -0.065 0.000 1.054 37 I CA 1.635 62.933 61.300 -0.003 0.000 1.311 37 I CB -0.645 37.368 38.000 0.022 0.000 1.024 37 I HN 0.346 nan 8.210 nan 0.000 0.402 38 C N 0.171 119.406 119.300 -0.108 0.000 2.429 38 C HA -0.138 4.322 4.460 -0.001 0.000 0.277 38 C C 2.994 177.820 174.990 -0.274 0.000 1.262 38 C CA 1.334 60.166 59.018 -0.308 0.000 1.733 38 C CB -1.362 26.102 27.740 -0.460 0.000 2.010 38 C HN 0.544 nan 8.230 nan 0.000 0.483 39 T N 0.882 115.371 114.554 -0.107 0.000 2.685 39 T HA -0.264 4.086 4.350 -0.001 0.000 0.268 39 T C 1.684 176.353 174.700 -0.051 0.000 1.034 39 T CA 2.238 64.316 62.100 -0.037 0.000 1.149 39 T CB -0.308 68.560 68.868 -0.001 0.000 0.860 39 T HN 0.720 nan 8.240 nan 0.000 0.449 40 E N 0.647 120.814 120.200 -0.054 0.000 2.076 40 E HA 0.022 4.371 4.350 -0.001 0.000 0.190 40 E C 2.193 178.757 176.600 -0.060 0.000 0.979 40 E CA 0.890 57.268 56.400 -0.035 0.000 0.807 40 E CB -0.270 29.424 29.700 -0.011 0.000 0.761 40 E HN 0.467 nan 8.360 nan 0.000 0.454 41 M N 0.413 119.947 119.600 -0.111 0.000 2.086 41 M HA -0.150 4.329 4.480 -0.001 0.000 0.261 41 M C 2.442 178.657 176.300 -0.141 0.000 1.067 41 M CA 1.906 57.121 55.300 -0.141 0.000 1.116 41 M CB -0.402 32.068 32.600 -0.217 0.000 1.348 41 M HN 0.204 nan 8.290 nan 0.000 0.407 42 E N 1.032 121.115 120.200 -0.194 0.000 2.097 42 E HA -0.287 4.062 4.350 -0.001 0.000 0.196 42 E C 1.992 178.569 176.600 -0.038 0.000 1.000 42 E CA 1.617 57.950 56.400 -0.112 0.000 0.804 42 E CB -0.043 29.625 29.700 -0.052 0.000 0.740 42 E HN 0.407 nan 8.360 nan 0.000 0.454 43 K N 0.139 120.518 120.400 -0.035 0.000 2.097 43 K HA -0.149 4.170 4.320 -0.001 0.000 0.205 43 K C 1.862 178.460 176.600 -0.002 0.000 1.050 43 K CA 1.397 57.679 56.287 -0.009 0.000 0.938 43 K CB 0.109 32.606 32.500 -0.005 0.000 0.718 43 K HN 0.068 nan 8.250 nan 0.000 0.442 44 E N -0.761 119.432 120.200 -0.012 0.000 2.274 44 E HA -0.071 4.278 4.350 -0.001 0.000 0.194 44 E C 1.377 177.986 176.600 0.014 0.000 0.996 44 E CA 1.101 57.505 56.400 0.006 0.000 0.840 44 E CB 0.284 29.987 29.700 0.004 0.000 0.772 44 E HN 0.655 nan 8.360 nan 0.000 0.491 45 G N 1.199 109.999 108.800 0.000 0.000 2.254 45 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.225 45 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.225 45 G C 1.130 176.039 174.900 0.015 0.000 1.003 45 G CA 0.443 45.553 45.100 0.017 0.000 0.622 45 G HN 0.291 nan 8.290 nan 0.000 0.507 46 K N 0.278 120.670 120.400 -0.013 0.000 2.127 46 K HA 0.004 4.324 4.320 -0.001 0.000 0.208 46 K C 1.553 178.147 176.600 -0.010 0.000 1.047 46 K CA 1.753 58.024 56.287 -0.026 0.000 0.927 46 K CB -0.195 32.210 32.500 -0.159 0.000 0.716 46 K HN 0.847 nan 8.250 nan 0.000 0.450 47 I N -4.527 115.986 120.570 -0.095 0.000 3.239 47 I HA 0.441 4.611 4.170 -0.001 0.000 0.314 47 I C -0.906 175.204 176.117 -0.012 0.000 1.126 47 I CA -1.070 60.159 61.300 -0.119 0.000 0.973 47 I CB 2.568 40.364 38.000 -0.341 0.000 1.252 47 I HN -0.328 nan 8.210 nan 0.000 0.463 48 S N 0.410 116.166 115.700 0.094 0.000 2.556 48 S HA 0.465 4.934 4.470 -0.001 0.000 0.271 48 S C -1.120 173.598 174.600 0.197 0.000 1.135 48 S CA -0.959 57.332 58.200 0.152 0.000 0.858 48 S CB 2.104 65.341 63.200 0.063 0.000 1.114 48 S HN 0.543 nan 8.310 nan 0.000 0.468 49 K N 1.776 122.203 120.400 0.044 0.000 2.237 49 K HA 0.612 4.931 4.320 -0.001 0.000 0.270 49 K C -0.067 176.422 176.600 -0.186 0.000 1.015 49 K CA -0.298 55.827 56.287 -0.271 0.000 0.949 49 K CB 0.405 32.724 32.500 -0.301 0.000 0.976 49 K HN 0.604 nan 8.250 nan 0.000 0.472 50 I N -2.661 117.762 120.570 -0.245 0.000 3.145 50 I HA 0.667 4.836 4.170 -0.001 0.000 0.313 50 I C 0.117 176.132 176.117 -0.171 0.000 1.122 50 I CA -1.153 60.047 61.300 -0.166 0.000 0.987 50 I CB 1.979 39.897 38.000 -0.137 0.000 1.236 50 I HN 0.592 nan 8.210 nan 0.000 0.453 51 G N 0.561 109.284 108.800 -0.130 0.000 2.736 51 G HA2 0.561 4.521 3.960 -0.001 0.000 0.229 51 G HA3 0.561 4.521 3.960 -0.001 0.000 0.229 51 G C -1.982 172.846 174.900 -0.119 0.000 1.380 51 G CA -0.878 44.149 45.100 -0.121 0.000 1.040 51 G HN 0.588 nan 8.290 nan 0.000 0.568 52 P HA 0.041 nan 4.420 nan 0.000 0.240 52 P C 0.810 178.045 177.300 -0.109 0.000 1.190 52 P CA 0.593 63.630 63.100 -0.106 0.000 0.781 52 P CB 0.338 31.982 31.700 -0.093 0.000 0.931 53 E N 0.321 120.461 120.200 -0.100 0.000 2.335 53 E HA -0.015 4.334 4.350 -0.001 0.000 0.191 53 E C -0.177 176.353 176.600 -0.115 0.000 1.150 53 E CA 0.045 56.385 56.400 -0.099 0.000 1.001 53 E CB -0.896 28.757 29.700 -0.077 0.000 1.127 53 E HN 0.099 nan 8.360 nan 0.000 0.462 54 N N 1.610 120.229 118.700 -0.135 0.000 2.640 54 N HA 0.122 4.861 4.740 -0.001 0.000 0.262 54 N C -2.071 173.316 175.510 -0.204 0.000 1.174 54 N CA -1.474 51.493 53.050 -0.137 0.000 0.791 54 N CB 1.709 40.156 38.487 -0.068 0.000 1.279 54 N HN -0.120 nan 8.380 nan 0.000 0.535 55 P HA -0.032 nan 4.420 nan 0.000 0.230 55 P C -0.121 176.976 177.300 -0.339 0.000 1.158 55 P CA 0.530 63.399 63.100 -0.384 0.000 0.769 55 P CB 0.098 31.507 31.700 -0.485 0.000 0.807 56 Y N 1.204 121.475 120.300 -0.047 0.000 2.326 56 Y HA 0.414 4.963 4.550 -0.001 0.000 0.333 56 Y C 1.122 177.022 175.900 -0.001 0.000 1.240 56 Y CA -0.071 58.023 58.100 -0.010 0.000 1.365 56 Y CB 0.113 38.562 38.460 -0.019 0.000 1.289 56 Y HN -0.033 nan 8.280 nan 0.000 0.548 57 N N -0.594 118.237 118.700 0.218 0.000 3.126 57 N HA 0.240 4.979 4.740 -0.001 0.000 0.233 57 N C -1.961 173.632 175.510 0.138 0.000 1.069 57 N CA -0.448 52.687 53.050 0.143 0.000 1.071 57 N CB 1.052 39.575 38.487 0.060 0.000 1.683 57 N HN 0.543 nan 8.380 nan 0.000 0.586 58 T N 2.712 117.345 114.554 0.133 0.000 2.855 58 T HA 0.599 4.949 4.350 -0.001 0.000 0.281 58 T C -2.736 171.990 174.700 0.044 0.000 1.007 58 T CA -1.348 60.796 62.100 0.073 0.000 1.009 58 T CB 1.743 70.588 68.868 -0.038 0.000 0.983 58 T HN 0.303 nan 8.240 nan 0.000 0.455 59 P HA 0.251 nan 4.420 nan 0.000 0.268 59 P C -0.751 176.497 177.300 -0.087 0.000 1.204 59 P CA -0.446 62.666 63.100 0.021 0.000 0.768 59 P CB 0.413 32.247 31.700 0.224 0.000 0.842 60 V N 1.517 121.299 119.914 -0.221 0.000 2.656 60 V HA 0.693 4.812 4.120 -0.001 0.000 0.307 60 V C -1.038 174.882 176.094 -0.290 0.000 1.051 60 V CA -0.669 61.550 62.300 -0.135 0.000 0.893 60 V CB 1.133 32.957 31.823 0.002 0.000 0.999 60 V HN 0.233 nan 8.190 nan 0.000 0.426 61 F N 2.642 122.582 119.950 -0.018 0.000 2.697 61 F HA 0.992 5.519 4.527 -0.001 0.000 0.386 61 F C 0.553 176.305 175.800 -0.079 0.000 1.154 61 F CA -0.491 57.458 58.000 -0.086 0.000 1.108 61 F CB 1.709 40.596 39.000 -0.189 0.000 1.429 61 F HN 0.897 nan 8.300 nan 0.000 0.509 62 A N 1.297 124.186 122.820 0.116 0.000 2.381 62 A HA 0.822 5.141 4.320 -0.001 0.000 0.299 62 A C -1.182 176.532 177.584 0.217 0.000 1.049 62 A CA -0.516 51.564 52.037 0.071 0.000 0.715 62 A CB 0.916 19.792 19.000 -0.207 0.000 1.222 62 A HN 0.732 nan 8.150 nan 0.000 0.428 63 I N -0.957 119.819 120.570 0.345 0.000 2.802 63 I HA 0.574 4.744 4.170 -0.001 0.000 0.298 63 I C -0.639 175.617 176.117 0.232 0.000 1.176 63 I CA -1.152 60.341 61.300 0.322 0.000 1.025 63 I CB 2.108 40.205 38.000 0.161 0.000 1.243 63 I HN 0.316 nan 8.210 nan 0.000 0.424 64 K N 3.720 124.109 120.400 -0.019 0.000 2.258 64 K HA 0.250 4.570 4.320 -0.001 0.000 0.264 64 K C 0.372 176.905 176.600 -0.112 0.000 1.007 64 K CA -0.366 55.787 56.287 -0.223 0.000 0.941 64 K CB 1.454 33.714 32.500 -0.401 0.000 0.966 64 K HN 0.661 nan 8.250 nan 0.000 0.480 65 K N 1.702 122.032 120.400 -0.116 0.000 2.015 65 K HA -0.039 4.280 4.320 -0.001 0.000 0.215 65 K C 0.968 177.500 176.600 -0.113 0.000 1.027 65 K CA 0.999 57.230 56.287 -0.093 0.000 0.960 65 K CB 0.117 32.571 32.500 -0.077 0.000 0.798 65 K HN 0.373 nan 8.250 nan 0.000 0.447 66 K N -0.103 120.230 120.400 -0.112 0.000 2.588 66 K HA 0.120 4.439 4.320 -0.001 0.000 0.216 66 K C -0.387 176.146 176.600 -0.112 0.000 1.382 66 K CA 0.026 56.251 56.287 -0.103 0.000 1.008 66 K CB 0.808 33.259 32.500 -0.081 0.000 1.138 66 K HN 0.098 nan 8.250 nan 0.000 0.619 67 D N 2.813 123.138 120.400 -0.124 0.000 2.498 67 D HA 0.084 4.724 4.640 -0.001 0.000 0.229 67 D C -0.450 175.733 176.300 -0.194 0.000 1.188 67 D CA 0.257 54.179 54.000 -0.131 0.000 1.028 67 D CB 0.386 41.119 40.800 -0.110 0.000 1.087 67 D HN -0.110 nan 8.370 nan 0.000 0.510 68 S N 1.181 116.766 115.700 -0.192 0.000 3.797 68 S HA -0.025 4.445 4.470 -0.001 0.000 0.187 68 S C 1.600 176.059 174.600 -0.235 0.000 1.165 68 S CA 0.185 58.228 58.200 -0.260 0.000 1.013 68 S CB -0.196 62.886 63.200 -0.197 0.000 1.456 68 S HN 0.644 nan 8.310 nan 0.000 0.442 69 T N -1.684 112.725 114.554 -0.242 0.000 3.313 69 T HA 0.318 4.667 4.350 -0.001 0.000 0.266 69 T C 0.278 174.862 174.700 -0.193 0.000 0.987 69 T CA -0.301 61.698 62.100 -0.168 0.000 1.086 69 T CB 0.209 69.017 68.868 -0.100 0.000 1.159 69 T HN 0.253 nan 8.240 nan 0.000 0.450 70 K N -0.004 120.276 120.400 -0.200 0.000 2.316 70 K HA 0.539 4.858 4.320 -0.001 0.000 0.251 70 K C -1.681 174.820 176.600 -0.164 0.000 0.934 70 K CA -1.049 55.164 56.287 -0.124 0.000 0.802 70 K CB 1.714 34.206 32.500 -0.014 0.000 1.171 70 K HN 0.305 nan 8.250 nan 0.000 0.426 71 W N 2.858 124.155 121.300 -0.005 0.000 2.359 71 W HA 0.427 5.087 4.660 -0.001 0.000 0.344 71 W C 0.083 176.608 176.519 0.009 0.000 1.170 71 W CA -0.457 56.886 57.345 -0.003 0.000 1.296 71 W CB 0.794 30.252 29.460 -0.003 0.000 1.197 71 W HN 0.471 nan 8.180 nan 0.000 0.618 72 R N 1.305 121.979 120.500 0.290 0.000 2.574 72 R HA 0.460 4.800 4.340 -0.001 0.000 0.288 72 R C -0.979 175.428 176.300 0.179 0.000 1.004 72 R CA -1.164 55.048 56.100 0.185 0.000 0.895 72 R CB 1.512 31.885 30.300 0.122 0.000 1.191 72 R HN 0.470 nan 8.270 nan 0.000 0.444 73 K N 3.028 123.514 120.400 0.143 0.000 2.416 73 K HA 0.077 4.396 4.320 -0.001 0.000 0.283 73 K C -0.997 175.681 176.600 0.131 0.000 1.037 73 K CA -0.376 55.979 56.287 0.112 0.000 0.995 73 K CB 0.585 33.123 32.500 0.062 0.000 0.938 73 K HN 0.592 nan 8.250 nan 0.000 0.475 74 L N 7.043 128.354 121.223 0.145 0.000 2.417 74 L HA 0.234 4.573 4.340 -0.001 0.000 0.259 74 L C -1.070 175.914 176.870 0.190 0.000 1.023 74 L CA -0.731 54.215 54.840 0.176 0.000 0.901 74 L CB 1.212 43.387 42.059 0.192 0.000 1.227 74 L HN 0.462 nan 8.230 nan 0.000 0.454 75 V N 0.644 120.597 119.914 0.065 0.000 2.572 75 V HA 0.301 4.420 4.120 -0.001 0.000 0.291 75 V C 0.393 176.458 176.094 -0.049 0.000 1.039 75 V CA -0.405 61.817 62.300 -0.130 0.000 1.055 75 V CB 1.067 32.578 31.823 -0.521 0.000 0.969 75 V HN 0.752 nan 8.190 nan 0.000 0.482 76 D N 3.939 124.367 120.400 0.047 0.000 2.619 76 D HA 0.182 4.821 4.640 -0.001 0.000 0.224 76 D C 0.162 176.510 176.300 0.081 0.000 1.133 76 D CA -0.608 53.491 54.000 0.165 0.000 1.017 76 D CB -0.559 40.478 40.800 0.396 0.000 1.077 76 D HN 0.529 nan 8.370 nan 0.000 0.503 77 F N 1.275 121.331 119.950 0.177 0.000 2.763 77 F HA 0.178 4.704 4.527 -0.001 0.000 0.309 77 F C 1.967 177.853 175.800 0.144 0.000 1.267 77 F CA 0.005 58.104 58.000 0.165 0.000 1.417 77 F CB -0.172 38.942 39.000 0.190 0.000 1.223 77 F HN 0.188 nan 8.300 nan 0.000 0.539 78 R N -0.507 120.140 120.500 0.245 0.000 2.153 78 R HA -0.113 4.227 4.340 -0.001 0.000 0.218 78 R C 1.876 178.290 176.300 0.189 0.000 1.072 78 R CA 0.858 57.051 56.100 0.156 0.000 0.990 78 R CB 0.110 30.429 30.300 0.033 0.000 0.889 78 R HN 0.231 nan 8.270 nan 0.000 0.452 79 E N 0.579 120.911 120.200 0.220 0.000 2.057 79 E HA -0.065 4.284 4.350 -0.001 0.000 0.190 79 E C 1.599 178.347 176.600 0.247 0.000 0.969 79 E CA 0.330 56.854 56.400 0.206 0.000 0.812 79 E CB -0.070 29.739 29.700 0.181 0.000 0.777 79 E HN 0.054 nan 8.360 nan 0.000 0.455 80 L N 1.074 122.479 121.223 0.304 0.000 2.263 80 L HA -0.187 4.153 4.340 -0.001 0.000 0.216 80 L C 1.336 178.435 176.870 0.382 0.000 1.111 80 L CA 1.449 56.449 54.840 0.267 0.000 0.773 80 L CB -0.450 41.767 42.059 0.264 0.000 0.906 80 L HN 0.100 nan 8.230 nan 0.000 0.439 81 N N 0.495 119.459 118.700 0.441 0.000 2.048 81 N HA -0.163 4.577 4.740 -0.001 0.000 0.193 81 N C 1.611 177.539 175.510 0.695 0.000 1.061 81 N CA 1.858 55.260 53.050 0.586 0.000 0.849 81 N CB -0.364 38.313 38.487 0.316 0.000 1.044 81 N HN 0.325 nan 8.380 nan 0.000 0.429 82 K N 0.599 121.276 120.400 0.462 0.000 2.242 82 K HA -0.143 4.176 4.320 -0.001 0.000 0.206 82 K C 1.350 178.069 176.600 0.198 0.000 1.045 82 K CA 1.173 57.645 56.287 0.308 0.000 0.930 82 K CB -0.183 32.433 32.500 0.193 0.000 0.726 82 K HN 0.255 nan 8.250 nan 0.000 0.462 83 R N 0.371 121.001 120.500 0.217 0.000 2.334 83 R HA 0.038 4.377 4.340 -0.001 0.000 0.220 83 R C 0.942 177.318 176.300 0.127 0.000 0.917 83 R CA 0.913 57.083 56.100 0.117 0.000 1.073 83 R CB 0.319 30.657 30.300 0.064 0.000 1.056 83 R HN 0.294 nan 8.270 nan 0.000 0.506 84 T N -3.967 110.737 114.554 0.250 0.000 2.993 84 T HA -0.019 4.330 4.350 -0.001 0.000 0.260 84 T C 1.571 176.256 174.700 -0.024 0.000 0.939 84 T CA -0.440 61.818 62.100 0.263 0.000 0.886 84 T CB 0.291 69.552 68.868 0.655 0.000 1.209 84 T HN 0.005 nan 8.240 nan 0.000 0.518 85 Q N 2.240 121.807 119.800 -0.388 0.000 2.124 85 Q HA -0.344 3.996 4.340 -0.001 0.000 0.215 85 Q C 1.913 177.344 176.000 -0.949 0.000 1.015 85 Q CA 2.670 57.557 55.803 -1.526 0.000 0.890 85 Q CB -0.433 27.769 28.738 -0.893 0.000 0.966 85 Q HN 0.708 nan 8.270 nan 0.000 0.412 86 D N -0.923 119.227 120.400 -0.417 0.000 2.315 86 D HA -0.210 4.429 4.640 -0.001 0.000 0.211 86 D C 1.485 177.690 176.300 -0.157 0.000 0.977 86 D CA 1.153 55.010 54.000 -0.238 0.000 0.894 86 D CB -0.410 40.323 40.800 -0.111 0.000 0.910 86 D HN 0.474 nan 8.370 nan 0.000 0.490 87 F N 0.743 120.506 119.950 -0.311 0.000 2.315 87 F HA 0.115 4.641 4.527 -0.001 0.000 0.284 87 F C 2.079 177.794 175.800 -0.143 0.000 1.049 87 F CA 0.420 58.316 58.000 -0.174 0.000 1.323 87 F CB -0.392 38.562 39.000 -0.077 0.000 1.113 87 F HN 0.002 nan 8.300 nan 0.000 0.544 88 W N 0.942 122.294 121.300 0.087 0.000 3.077 88 W HA 0.121 4.780 4.660 -0.001 0.000 0.245 88 W C 1.102 177.544 176.519 -0.128 0.000 1.316 88 W CA 0.879 58.153 57.345 -0.118 0.000 1.537 88 W CB -0.852 28.522 29.460 -0.143 0.000 1.131 88 W HN 0.362 nan 8.180 nan 0.000 0.695 89 E N 0.496 120.564 120.200 -0.218 0.000 2.500 89 E HA -0.014 4.335 4.350 -0.001 0.000 0.217 89 E C 1.352 177.857 176.600 -0.157 0.000 0.848 89 E CA 0.269 56.584 56.400 -0.142 0.000 1.217 89 E CB 0.282 29.752 29.700 -0.383 0.000 1.217 89 E HN 0.012 nan 8.360 nan 0.000 0.573 90 V N 0.987 120.769 119.914 -0.220 0.000 2.607 90 V HA -0.049 4.070 4.120 -0.001 0.000 0.228 90 V C 2.321 178.309 176.094 -0.177 0.000 1.106 90 V CA 1.271 63.470 62.300 -0.169 0.000 1.141 90 V CB -0.602 31.125 31.823 -0.161 0.000 0.808 90 V HN 0.203 nan 8.190 nan 0.000 0.501 91 Q N 0.215 119.877 119.800 -0.230 0.000 1.900 91 Q HA -0.183 4.156 4.340 -0.001 0.000 0.219 91 Q C 1.467 177.294 176.000 -0.289 0.000 1.012 91 Q CA 2.319 57.963 55.803 -0.265 0.000 0.876 91 Q CB -0.228 28.293 28.738 -0.362 0.000 0.952 91 Q HN 0.591 nan 8.270 nan 0.000 0.419 92 L N 0.988 121.944 121.223 -0.446 0.000 2.783 92 L HA 0.376 4.715 4.340 -0.001 0.000 0.236 92 L C 0.863 177.615 176.870 -0.197 0.000 1.225 92 L CA -0.443 54.196 54.840 -0.335 0.000 1.026 92 L CB -0.378 41.408 42.059 -0.455 0.000 1.314 92 L HN 0.215 nan 8.230 nan 0.000 0.489 93 G N 1.230 109.948 108.800 -0.136 0.000 2.760 93 G HA2 0.179 4.139 3.960 -0.001 0.000 0.236 93 G HA3 0.179 4.139 3.960 -0.001 0.000 0.236 93 G C 0.056 174.959 174.900 0.006 0.000 1.243 93 G CA -0.226 44.858 45.100 -0.028 0.000 0.850 93 G HN 0.158 nan 8.290 nan 0.000 0.595 94 I N 2.484 123.099 120.570 0.075 0.000 2.382 94 I HA 0.239 4.408 4.170 -0.001 0.000 0.285 94 I C -1.810 174.342 176.117 0.060 0.000 1.007 94 I CA -1.947 59.407 61.300 0.091 0.000 1.142 94 I CB 1.006 39.124 38.000 0.196 0.000 1.289 94 I HN 0.355 nan 8.210 nan 0.000 0.453 95 P HA 0.050 nan 4.420 nan 0.000 0.267 95 P C -0.767 176.404 177.300 -0.216 0.000 1.200 95 P CA 0.205 63.267 63.100 -0.064 0.000 0.772 95 P CB 0.744 32.406 31.700 -0.063 0.000 0.855 96 H N 3.493 122.363 119.070 -0.334 0.000 2.623 96 H HA 0.326 4.881 4.556 -0.001 0.000 0.299 96 H C -1.893 173.220 175.328 -0.358 0.000 1.052 96 H CA -1.962 53.732 56.048 -0.591 0.000 1.231 96 H CB 0.386 29.906 29.762 -0.403 0.000 1.389 96 H HN 0.224 nan 8.280 nan 0.000 0.469 97 P HA 0.061 nan 4.420 nan 0.000 0.264 97 P C 0.379 177.355 177.300 -0.539 0.000 1.229 97 P CA -0.064 62.753 63.100 -0.471 0.000 0.780 97 P CB 1.183 32.694 31.700 -0.316 0.000 0.808 98 A N 3.788 126.428 122.820 -0.299 0.000 2.172 98 A HA 0.010 4.329 4.320 -0.001 0.000 0.216 98 A C 2.104 179.595 177.584 -0.155 0.000 1.154 98 A CA 1.504 53.426 52.037 -0.193 0.000 0.701 98 A CB -0.853 18.094 19.000 -0.088 0.000 0.789 98 A HN 0.610 nan 8.150 nan 0.000 0.465 99 G N -0.492 108.218 108.800 -0.150 0.000 2.539 99 G HA2 0.065 4.024 3.960 -0.001 0.000 0.215 99 G HA3 0.065 4.024 3.960 -0.001 0.000 0.215 99 G C 1.320 176.163 174.900 -0.095 0.000 1.141 99 G CA 0.716 45.756 45.100 -0.101 0.000 0.806 99 G HN 0.472 nan 8.290 nan 0.000 0.533 100 L N 2.153 123.305 121.223 -0.118 0.000 2.064 100 L HA -0.177 4.162 4.340 -0.001 0.000 0.216 100 L C 2.620 179.454 176.870 -0.061 0.000 1.077 100 L CA 2.672 57.474 54.840 -0.064 0.000 0.766 100 L CB -0.616 41.405 42.059 -0.062 0.000 0.890 100 L HN 0.468 nan 8.230 nan 0.000 0.435 101 K N -1.131 119.220 120.400 -0.083 0.000 2.574 101 K HA -0.114 4.206 4.320 -0.001 0.000 0.193 101 K C 1.537 178.058 176.600 -0.132 0.000 1.035 101 K CA 1.116 57.345 56.287 -0.097 0.000 0.982 101 K CB -0.214 32.230 32.500 -0.093 0.000 0.795 101 K HN 0.439 nan 8.250 nan 0.000 0.491 102 K N 0.754 121.090 120.400 -0.108 0.000 2.244 102 K HA 0.092 4.411 4.320 -0.001 0.000 0.200 102 K C 0.186 176.726 176.600 -0.100 0.000 1.052 102 K CA -0.155 56.073 56.287 -0.098 0.000 0.980 102 K CB 0.191 32.648 32.500 -0.071 0.000 0.838 102 K HN -0.049 nan 8.250 nan 0.000 0.481 103 K N 1.996 122.346 120.400 -0.083 0.000 2.508 103 K HA -0.087 4.232 4.320 -0.001 0.000 0.273 103 K C 0.862 177.393 176.600 -0.116 0.000 0.964 103 K CA 0.637 56.881 56.287 -0.072 0.000 0.948 103 K CB 0.251 32.729 32.500 -0.037 0.000 0.917 103 K HN 0.077 nan 8.250 nan 0.000 0.512 104 K N 0.317 120.655 120.400 -0.103 0.000 2.305 104 K HA 0.032 4.351 4.320 -0.001 0.000 0.199 104 K C 0.171 176.707 176.600 -0.107 0.000 1.047 104 K CA 0.575 56.795 56.287 -0.112 0.000 0.976 104 K CB 0.330 32.778 32.500 -0.087 0.000 0.765 104 K HN 0.318 nan 8.250 nan 0.000 0.474 105 S N 0.308 115.873 115.700 -0.225 0.000 2.548 105 S HA 0.400 4.869 4.470 -0.001 0.000 0.276 105 S C -1.202 173.144 174.600 -0.423 0.000 1.129 105 S CA -0.769 57.178 58.200 -0.422 0.000 0.931 105 S CB 2.400 65.084 63.200 -0.860 0.000 1.068 105 S HN -0.147 nan 8.310 nan 0.000 0.480 106 V N 2.969 122.714 119.914 -0.282 0.000 2.482 106 V HA 0.486 4.606 4.120 -0.001 0.000 0.295 106 V C -0.433 175.676 176.094 0.025 0.000 1.026 106 V CA -0.689 61.597 62.300 -0.024 0.000 0.856 106 V CB 1.748 33.597 31.823 0.043 0.000 1.001 106 V HN 0.881 nan 8.190 nan 0.000 0.424 107 T N 4.205 118.867 114.554 0.179 0.000 2.749 107 T HA 0.546 4.895 4.350 -0.001 0.000 0.287 107 T C -0.130 174.605 174.700 0.057 0.000 0.970 107 T CA -0.434 61.744 62.100 0.129 0.000 0.980 107 T CB 1.556 70.529 68.868 0.175 0.000 0.924 107 T HN 0.369 nan 8.240 nan 0.000 0.456 108 V N 5.822 125.766 119.914 0.050 0.000 2.383 108 V HA 0.515 4.634 4.120 -0.001 0.000 0.275 108 V C 0.079 176.096 176.094 -0.129 0.000 1.036 108 V CA -0.876 61.293 62.300 -0.219 0.000 0.889 108 V CB 0.354 31.921 31.823 -0.426 0.000 0.985 108 V HN 0.760 nan 8.190 nan 0.000 0.459 109 L N 0.799 121.932 121.223 -0.151 0.000 2.362 109 L HA 0.795 5.134 4.340 -0.001 0.000 0.271 109 L C -0.341 176.451 176.870 -0.130 0.000 1.002 109 L CA -0.854 53.920 54.840 -0.111 0.000 0.818 109 L CB 1.643 43.659 42.059 -0.072 0.000 1.298 109 L HN 0.278 nan 8.230 nan 0.000 0.420 110 D N 1.426 121.745 120.400 -0.134 0.000 2.458 110 D HA 0.224 4.864 4.640 -0.001 0.000 0.243 110 D C 0.685 176.874 176.300 -0.185 0.000 1.146 110 D CA 0.262 54.170 54.000 -0.154 0.000 0.877 110 D CB 1.875 42.584 40.800 -0.151 0.000 1.176 110 D HN 0.594 nan 8.370 nan 0.000 0.461 111 V N 0.896 120.655 119.914 -0.258 0.000 3.382 111 V HA 0.344 4.464 4.120 -0.001 0.000 0.296 111 V C 1.712 177.396 176.094 -0.684 0.000 1.529 111 V CA 0.472 62.556 62.300 -0.360 0.000 1.048 111 V CB 0.392 32.050 31.823 -0.274 0.000 0.878 111 V HN 0.493 nan 8.190 nan 0.000 0.442 112 G N 0.804 109.221 108.800 -0.638 0.000 2.550 112 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.222 112 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.222 112 G C 1.201 175.501 174.900 -1.000 0.000 1.113 112 G CA 1.456 46.062 45.100 -0.822 0.000 0.748 112 G HN 0.562 nan 8.290 nan 0.000 0.585 113 D N 0.783 120.741 120.400 -0.736 0.000 2.269 113 D HA 0.057 4.696 4.640 -0.001 0.000 0.208 113 D C 2.670 178.627 176.300 -0.573 0.000 0.963 113 D CA 0.835 54.435 54.000 -0.666 0.000 0.864 113 D CB -0.179 40.424 40.800 -0.327 0.000 0.936 113 D HN 0.272 nan 8.370 nan 0.000 0.505 114 A N -0.497 121.929 122.820 -0.657 0.000 2.178 114 A HA -0.155 4.164 4.320 -0.001 0.000 0.218 114 A C 1.770 178.931 177.584 -0.705 0.000 1.157 114 A CA 0.744 52.438 52.037 -0.573 0.000 0.689 114 A CB -0.904 17.721 19.000 -0.625 0.000 0.787 114 A HN 0.449 nan 8.150 nan 0.000 0.465 115 Y N -2.441 117.435 120.300 -0.706 0.000 2.420 115 Y HA -0.005 4.544 4.550 -0.001 0.000 0.292 115 Y C 1.013 176.912 175.900 -0.002 0.000 1.119 115 Y CA -0.247 57.572 58.100 -0.468 0.000 1.229 115 Y CB 0.037 38.259 38.460 -0.396 0.000 1.026 115 Y HN 0.285 nan 8.280 nan 0.000 0.554 116 F N 0.327 120.318 119.950 0.068 0.000 2.716 116 F HA 0.018 4.545 4.527 -0.001 0.000 0.301 116 F C 1.549 177.409 175.800 0.099 0.000 1.210 116 F CA -0.349 57.709 58.000 0.095 0.000 1.422 116 F CB -1.104 37.949 39.000 0.088 0.000 1.073 116 F HN 0.011 nan 8.300 nan 0.000 0.525 117 S N -2.630 113.231 115.700 0.268 0.000 2.632 117 S HA 0.266 4.735 4.470 -0.001 0.000 0.237 117 S C 0.099 174.838 174.600 0.231 0.000 1.037 117 S CA -0.181 58.154 58.200 0.226 0.000 1.009 117 S CB 0.017 63.340 63.200 0.205 0.000 0.974 117 S HN -0.107 nan 8.310 nan 0.000 0.544 118 V N 5.326 125.393 119.914 0.254 0.000 2.328 118 V HA 0.472 4.591 4.120 -0.001 0.000 0.278 118 V C -2.416 173.805 176.094 0.210 0.000 1.021 118 V CA -2.170 60.277 62.300 0.245 0.000 0.838 118 V CB 1.402 33.410 31.823 0.308 0.000 0.999 118 V HN 0.261 nan 8.190 nan 0.000 0.447 119 P HA 0.080 nan 4.420 nan 0.000 0.268 119 P C -0.632 176.766 177.300 0.163 0.000 1.205 119 P CA -0.294 62.902 63.100 0.160 0.000 0.771 119 P CB 1.308 33.087 31.700 0.132 0.000 0.858 120 L N 2.931 124.253 121.223 0.166 0.000 2.350 120 L HA 0.293 4.632 4.340 -0.001 0.000 0.275 120 L C 0.249 177.210 176.870 0.152 0.000 1.099 120 L CA -0.419 54.526 54.840 0.174 0.000 0.808 120 L CB 0.076 42.245 42.059 0.184 0.000 1.149 120 L HN 0.305 nan 8.230 nan 0.000 0.442 121 D N 2.552 123.037 120.400 0.140 0.000 2.554 121 D HA -0.098 4.541 4.640 -0.001 0.000 0.251 121 D C 1.169 177.556 176.300 0.146 0.000 1.213 121 D CA 0.517 54.590 54.000 0.121 0.000 0.900 121 D CB 0.684 41.526 40.800 0.070 0.000 1.135 121 D HN 0.650 nan 8.370 nan 0.000 0.522 122 E N 3.138 123.403 120.200 0.109 0.000 2.164 122 E HA -0.315 4.034 4.350 -0.001 0.000 0.233 122 E C 0.689 177.342 176.600 0.089 0.000 1.073 122 E CA 2.268 58.721 56.400 0.089 0.000 0.941 122 E CB -0.184 29.558 29.700 0.069 0.000 0.820 122 E HN 0.669 nan 8.360 nan 0.000 0.486 123 D N -1.256 119.205 120.400 0.102 0.000 2.400 123 D HA -0.118 4.522 4.640 -0.001 0.000 0.242 123 D C 0.954 177.364 176.300 0.183 0.000 1.077 123 D CA 0.469 54.533 54.000 0.106 0.000 0.943 123 D CB -0.165 40.703 40.800 0.113 0.000 0.882 123 D HN 0.247 nan 8.370 nan 0.000 0.529 124 F N 0.387 120.342 119.950 0.009 0.000 2.819 124 F HA 0.176 4.702 4.527 -0.001 0.000 0.325 124 F C 1.898 177.681 175.800 -0.029 0.000 1.041 124 F CA -0.264 57.765 58.000 0.049 0.000 1.184 124 F CB 0.352 39.317 39.000 -0.059 0.000 1.019 124 F HN -0.309 nan 8.300 nan 0.000 0.590 125 R N 1.486 121.964 120.500 -0.036 0.000 2.154 125 R HA -0.212 4.127 4.340 -0.001 0.000 0.248 125 R C 2.034 178.216 176.300 -0.197 0.000 1.155 125 R CA 1.941 57.999 56.100 -0.071 0.000 0.979 125 R CB -0.702 29.618 30.300 0.034 0.000 0.869 125 R HN 0.410 nan 8.270 nan 0.000 0.452 126 K N -0.105 120.104 120.400 -0.318 0.000 2.360 126 K HA -0.176 4.143 4.320 -0.001 0.000 0.201 126 K C 0.884 177.164 176.600 -0.534 0.000 1.046 126 K CA 1.541 57.595 56.287 -0.388 0.000 0.940 126 K CB -0.195 32.030 32.500 -0.459 0.000 0.748 126 K HN 0.292 nan 8.250 nan 0.000 0.465 127 Y N 2.112 122.074 120.300 -0.563 0.000 2.482 127 Y HA 0.023 4.572 4.550 -0.001 0.000 0.270 127 Y C 1.474 177.192 175.900 -0.303 0.000 1.152 127 Y CA 0.727 58.430 58.100 -0.662 0.000 1.292 127 Y CB 0.391 38.222 38.460 -1.048 0.000 1.070 127 Y HN 0.188 nan 8.280 nan 0.000 0.528 128 T N -1.626 112.890 114.554 -0.065 0.000 3.240 128 T HA 0.674 5.023 4.350 -0.001 0.000 0.248 128 T C 0.264 175.218 174.700 0.424 0.000 0.929 128 T CA -0.417 61.863 62.100 0.300 0.000 0.939 128 T CB -0.604 68.443 68.868 0.299 0.000 1.114 128 T HN 0.159 nan 8.240 nan 0.000 0.558 129 A N 1.999 124.991 122.820 0.285 0.000 2.306 129 A HA 0.792 5.111 4.320 -0.001 0.000 0.314 129 A C -0.368 177.417 177.584 0.334 0.000 1.164 129 A CA -0.922 51.271 52.037 0.260 0.000 0.822 129 A CB 0.365 19.429 19.000 0.107 0.000 1.130 129 A HN 0.743 nan 8.150 nan 0.000 0.496 130 F N -0.811 119.158 119.950 0.030 0.000 2.629 130 F HA 0.837 5.364 4.527 -0.001 0.000 0.316 130 F C -0.414 175.375 175.800 -0.018 0.000 1.081 130 F CA -1.126 56.871 58.000 -0.006 0.000 0.954 130 F CB 1.180 40.165 39.000 -0.026 0.000 1.337 130 F HN 0.322 nan 8.300 nan 0.000 0.474 131 T N 2.807 117.339 114.554 -0.036 0.000 2.824 131 T HA 0.593 4.943 4.350 -0.001 0.000 0.282 131 T C -0.322 174.344 174.700 -0.057 0.000 0.993 131 T CA -0.427 61.590 62.100 -0.138 0.000 0.967 131 T CB 1.329 70.134 68.868 -0.106 0.000 0.960 131 T HN 0.580 nan 8.240 nan 0.000 0.441 132 I N 5.423 125.940 120.570 -0.089 0.000 2.291 132 I HA 0.255 4.424 4.170 -0.001 0.000 0.292 132 I C -1.838 174.237 176.117 -0.069 0.000 1.064 132 I CA -2.355 58.925 61.300 -0.033 0.000 1.269 132 I CB 0.604 38.601 38.000 -0.004 0.000 1.418 132 I HN 0.303 nan 8.210 nan 0.000 0.485 133 P HA -0.054 nan 4.420 nan 0.000 0.271 133 P C -0.291 176.964 177.300 -0.075 0.000 1.228 133 P CA -0.018 63.036 63.100 -0.076 0.000 0.797 133 P CB 0.741 32.397 31.700 -0.073 0.000 0.914 134 S N -0.025 115.631 115.700 -0.073 0.000 2.532 134 S HA 0.464 4.934 4.470 -0.001 0.000 0.299 134 S C 0.085 174.649 174.600 -0.061 0.000 1.105 134 S CA -0.711 57.449 58.200 -0.067 0.000 1.018 134 S CB 0.167 63.326 63.200 -0.068 0.000 1.021 134 S HN 0.213 nan 8.310 nan 0.000 0.483 135 I N 3.688 124.224 120.570 -0.056 0.000 2.710 135 I HA 0.063 4.232 4.170 -0.001 0.000 0.286 135 I C 1.163 177.252 176.117 -0.046 0.000 1.181 135 I CA 0.062 61.332 61.300 -0.050 0.000 1.430 135 I CB -0.103 37.869 38.000 -0.046 0.000 1.367 135 I HN 0.770 nan 8.210 nan 0.000 0.577 136 N N 5.026 123.700 118.700 -0.043 0.000 2.696 136 N HA -0.303 4.437 4.740 -0.001 0.000 0.249 136 N C 0.289 175.773 175.510 -0.043 0.000 1.090 136 N CA 1.199 54.226 53.050 -0.039 0.000 0.716 136 N CB -0.924 37.543 38.487 -0.034 0.000 1.020 136 N HN 0.875 nan 8.380 nan 0.000 0.548 137 N N -1.705 116.965 118.700 -0.050 0.000 2.690 137 N HA -0.267 4.472 4.740 -0.001 0.000 0.249 137 N C 0.674 176.154 175.510 -0.051 0.000 1.125 137 N CA 1.385 54.402 53.050 -0.054 0.000 0.794 137 N CB -0.820 37.636 38.487 -0.052 0.000 1.152 137 N HN 0.704 nan 8.380 nan 0.000 0.571 138 E N 0.077 120.249 120.200 -0.047 0.000 2.063 138 E HA -0.208 4.142 4.350 -0.001 0.000 0.221 138 E C 1.291 177.861 176.600 -0.049 0.000 1.052 138 E CA 2.397 58.771 56.400 -0.045 0.000 0.891 138 E CB -0.106 29.568 29.700 -0.043 0.000 0.792 138 E HN 0.676 nan 8.360 nan 0.000 0.482 139 T N -1.297 113.224 114.554 -0.055 0.000 2.938 139 T HA 0.412 4.762 4.350 -0.001 0.000 0.285 139 T C -2.676 171.982 174.700 -0.070 0.000 1.028 139 T CA -2.023 60.041 62.100 -0.061 0.000 1.005 139 T CB 1.711 70.542 68.868 -0.062 0.000 1.157 139 T HN -0.154 nan 8.240 nan 0.000 0.550 140 P HA 0.315 nan 4.420 nan 0.000 0.275 140 P C 0.651 177.888 177.300 -0.105 0.000 1.228 140 P CA -0.083 62.962 63.100 -0.091 0.000 0.786 140 P CB 0.251 31.894 31.700 -0.095 0.000 0.927 141 G N 1.892 110.625 108.800 -0.112 0.000 2.744 141 G HA2 0.276 4.235 3.960 -0.001 0.000 0.257 141 G HA3 0.276 4.235 3.960 -0.001 0.000 0.257 141 G C -0.276 174.523 174.900 -0.168 0.000 1.244 141 G CA -0.395 44.630 45.100 -0.125 0.000 0.916 141 G HN 0.388 nan 8.290 nan 0.000 0.564 142 I N -0.019 120.433 120.570 -0.197 0.000 2.428 142 I HA 0.384 4.554 4.170 -0.001 0.000 0.296 142 I C 0.298 176.156 176.117 -0.432 0.000 0.985 142 I CA -0.438 60.675 61.300 -0.312 0.000 1.260 142 I CB 1.687 39.519 38.000 -0.279 0.000 1.389 142 I HN 0.186 nan 8.210 nan 0.000 0.484 143 R N 5.621 125.777 120.500 -0.574 0.000 2.393 143 R HA 0.542 4.881 4.340 -0.001 0.000 0.315 143 R C -1.525 174.300 176.300 -0.792 0.000 0.952 143 R CA -0.780 54.984 56.100 -0.559 0.000 0.842 143 R CB 1.338 31.424 30.300 -0.357 0.000 1.163 143 R HN 0.453 nan 8.270 nan 0.000 0.450 144 Y N 0.623 120.537 120.300 -0.644 0.000 2.576 144 Y HA 0.314 4.864 4.550 -0.001 0.000 0.346 144 Y C 0.029 175.695 175.900 -0.391 0.000 1.018 144 Y CA -0.881 56.858 58.100 -0.601 0.000 1.050 144 Y CB 2.375 40.289 38.460 -0.911 0.000 1.280 144 Y HN 0.444 nan 8.280 nan 0.000 0.474 145 Q N -0.154 119.677 119.800 0.051 0.000 2.416 145 Q HA 0.566 4.906 4.340 -0.001 0.000 0.281 145 Q C -1.989 174.093 176.000 0.136 0.000 1.067 145 Q CA -1.068 54.822 55.803 0.145 0.000 0.809 145 Q CB 2.086 30.863 28.738 0.065 0.000 1.418 145 Q HN 0.556 nan 8.270 nan 0.000 0.411 146 Y N 1.015 121.437 120.300 0.202 0.000 2.299 146 Y HA 0.243 4.793 4.550 -0.001 0.000 0.335 146 Y C 0.865 176.814 175.900 0.082 0.000 1.287 146 Y CA 0.225 58.406 58.100 0.135 0.000 1.424 146 Y CB 0.794 39.329 38.460 0.125 0.000 1.326 146 Y HN 0.776 nan 8.280 nan 0.000 0.567 147 N N -0.321 118.560 118.700 0.302 0.000 2.118 147 N HA 0.133 4.872 4.740 -0.001 0.000 0.226 147 N C -1.199 174.426 175.510 0.192 0.000 1.305 147 N CA 0.365 53.529 53.050 0.189 0.000 0.890 147 N CB 1.185 39.749 38.487 0.128 0.000 1.118 147 N HN 0.331 nan 8.380 nan 0.000 0.511 148 V N -2.201 117.854 119.914 0.235 0.000 3.160 148 V HA 0.557 4.676 4.120 -0.001 0.000 0.310 148 V C -0.152 176.052 176.094 0.183 0.000 1.181 148 V CA -1.145 61.283 62.300 0.214 0.000 1.047 148 V CB 1.863 33.826 31.823 0.232 0.000 1.068 148 V HN -0.126 nan 8.190 nan 0.000 0.441 149 L N 3.855 125.200 121.223 0.203 0.000 2.615 149 L HA 0.291 4.630 4.340 -0.001 0.000 0.271 149 L C -2.041 174.894 176.870 0.108 0.000 1.183 149 L CA -0.862 54.066 54.840 0.146 0.000 0.933 149 L CB 0.351 42.442 42.059 0.054 0.000 1.199 149 L HN 0.546 nan 8.230 nan 0.000 0.487 150 P HA 0.157 nan 4.420 nan 0.000 0.290 150 P C -1.075 176.249 177.300 0.040 0.000 1.276 150 P CA -0.736 62.163 63.100 -0.334 0.000 0.808 150 P CB 1.030 31.960 31.700 -1.284 0.000 0.966 151 Q N 1.117 121.106 119.800 0.315 0.000 2.414 151 Q HA 0.283 4.622 4.340 -0.001 0.000 0.288 151 Q C 1.387 177.554 176.000 0.278 0.000 1.086 151 Q CA 0.986 56.965 55.803 0.293 0.000 0.943 151 Q CB -0.287 28.626 28.738 0.292 0.000 1.282 151 Q HN 0.857 nan 8.270 nan 0.000 0.438 152 G N 0.516 109.453 108.800 0.228 0.000 2.299 152 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.237 152 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.237 152 G C -0.653 174.378 174.900 0.219 0.000 1.027 152 G CA -0.001 45.286 45.100 0.312 0.000 0.619 152 G HN 0.684 nan 8.290 nan 0.000 0.513 153 W N 3.666 124.836 121.300 -0.216 0.000 2.358 153 W HA 0.699 5.359 4.660 -0.001 0.000 0.307 153 W C 1.038 177.325 176.519 -0.386 0.000 1.203 153 W CA -0.981 56.088 57.345 -0.459 0.000 1.279 153 W CB 0.515 29.537 29.460 -0.729 0.000 1.264 153 W HN 0.090 nan 8.180 nan 0.000 0.474 154 K N 3.564 123.435 120.400 -0.881 0.000 2.640 154 K HA -0.065 4.254 4.320 -0.001 0.000 0.193 154 K C 1.605 177.532 176.600 -1.121 0.000 1.036 154 K CA 0.936 56.550 56.287 -1.121 0.000 0.962 154 K CB -0.034 31.366 32.500 -1.832 0.000 0.791 154 K HN 0.737 nan 8.250 nan 0.000 0.491 155 G N -0.430 107.265 108.800 -1.843 0.000 2.743 155 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.206 155 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.206 155 G C 1.350 175.634 174.900 -1.027 0.000 1.115 155 G CA -0.219 43.903 45.100 -1.630 0.000 0.782 155 G HN 0.114 nan 8.290 nan 0.000 0.524 156 S N 1.758 116.889 115.700 -0.949 0.000 2.372 156 S HA -0.107 4.362 4.470 -0.001 0.000 0.227 156 S C 0.315 174.418 174.600 -0.830 0.000 1.044 156 S CA 1.863 59.626 58.200 -0.729 0.000 1.050 156 S CB -0.634 62.035 63.200 -0.886 0.000 0.901 156 S HN 0.428 nan 8.310 nan 0.000 0.447 157 P HA 0.050 nan 4.420 nan 0.000 0.214 157 P C 1.352 178.601 177.300 -0.085 0.000 1.162 157 P CA 1.426 64.366 63.100 -0.267 0.000 0.871 157 P CB -0.166 31.441 31.700 -0.156 0.000 0.783 158 A N -0.191 122.533 122.820 -0.160 0.000 2.024 158 A HA -0.145 4.175 4.320 -0.001 0.000 0.220 158 A C 2.351 179.895 177.584 -0.066 0.000 1.164 158 A CA 1.337 53.314 52.037 -0.099 0.000 0.643 158 A CB -1.567 17.349 19.000 -0.141 0.000 0.806 158 A HN 0.163 nan 8.150 nan 0.000 0.451 159 I N -2.808 117.742 120.570 -0.033 0.000 2.400 159 I HA -0.088 4.081 4.170 -0.001 0.000 0.248 159 I C 2.107 178.291 176.117 0.112 0.000 1.109 159 I CA 0.814 62.148 61.300 0.057 0.000 1.425 159 I CB -0.175 37.888 38.000 0.104 0.000 1.094 159 I HN 0.346 nan 8.210 nan 0.000 0.425 160 F N 1.560 121.486 119.950 -0.039 0.000 2.502 160 F HA -0.143 4.384 4.527 -0.001 0.000 0.298 160 F C 2.491 178.309 175.800 0.030 0.000 1.111 160 F CA 1.069 59.093 58.000 0.040 0.000 1.445 160 F CB -0.384 38.713 39.000 0.161 0.000 1.081 160 F HN 0.064 nan 8.300 nan 0.000 0.558 161 Q N 0.020 119.867 119.800 0.079 0.000 2.224 161 Q HA -0.314 4.026 4.340 -0.001 0.000 0.213 161 Q C 2.313 178.259 176.000 -0.090 0.000 0.998 161 Q CA 2.644 58.454 55.803 0.010 0.000 0.895 161 Q CB -0.159 28.580 28.738 0.002 0.000 0.926 161 Q HN 0.546 nan 8.270 nan 0.000 0.417 162 S N -0.902 114.718 115.700 -0.133 0.000 2.335 162 S HA -0.094 4.375 4.470 -0.001 0.000 0.217 162 S C 2.062 176.504 174.600 -0.263 0.000 1.032 162 S CA 1.093 59.197 58.200 -0.159 0.000 0.985 162 S CB -0.582 62.545 63.200 -0.121 0.000 0.896 162 S HN 0.417 nan 8.310 nan 0.000 0.445 163 S N 2.276 117.727 115.700 -0.414 0.000 2.387 163 S HA -0.162 4.307 4.470 -0.001 0.000 0.230 163 S C 1.760 176.036 174.600 -0.540 0.000 1.035 163 S CA 1.733 59.612 58.200 -0.536 0.000 1.014 163 S CB -0.697 62.019 63.200 -0.807 0.000 0.836 163 S HN 0.547 nan 8.310 nan 0.000 0.466 164 M N 3.040 122.296 119.600 -0.573 0.000 2.218 164 M HA -0.134 4.346 4.480 -0.001 0.000 0.262 164 M C 2.425 178.622 176.300 -0.172 0.000 1.081 164 M CA 2.575 57.712 55.300 -0.271 0.000 1.100 164 M CB -1.631 30.950 32.600 -0.031 0.000 1.258 164 M HN 0.397 nan 8.290 nan 0.000 0.438 165 T N -1.426 113.060 114.554 -0.112 0.000 2.792 165 T HA -0.283 4.066 4.350 -0.001 0.000 0.268 165 T C 1.872 176.506 174.700 -0.109 0.000 1.059 165 T CA 2.093 64.147 62.100 -0.076 0.000 1.136 165 T CB -0.865 67.973 68.868 -0.051 0.000 0.846 165 T HN 0.615 nan 8.240 nan 0.000 0.489 166 K N 0.794 121.092 120.400 -0.171 0.000 2.097 166 K HA 0.035 4.354 4.320 -0.001 0.000 0.205 166 K C 2.286 178.718 176.600 -0.279 0.000 1.050 166 K CA 1.250 57.414 56.287 -0.205 0.000 0.938 166 K CB -0.277 32.078 32.500 -0.241 0.000 0.718 166 K HN 0.506 nan 8.250 nan 0.000 0.442 167 I N 1.127 121.505 120.570 -0.321 0.000 2.353 167 I HA -0.217 3.952 4.170 -0.001 0.000 0.248 167 I C 1.848 177.833 176.117 -0.221 0.000 1.119 167 I CA 0.787 61.837 61.300 -0.417 0.000 1.417 167 I CB -0.089 37.701 38.000 -0.349 0.000 1.078 167 I HN 0.142 nan 8.210 nan 0.000 0.421 168 L N 0.402 121.557 121.223 -0.114 0.000 2.551 168 L HA -0.098 4.241 4.340 -0.001 0.000 0.228 168 L C 2.299 179.244 176.870 0.125 0.000 1.153 168 L CA 0.415 55.270 54.840 0.024 0.000 0.851 168 L CB -0.558 41.502 42.059 0.001 0.000 0.959 168 L HN 0.210 nan 8.230 nan 0.000 0.451 169 E N 1.283 121.506 120.200 0.038 0.000 2.130 169 E HA -0.179 4.170 4.350 -0.001 0.000 0.196 169 E C -0.555 176.107 176.600 0.103 0.000 0.998 169 E CA 1.726 58.152 56.400 0.043 0.000 0.806 169 E CB -0.719 28.962 29.700 -0.031 0.000 0.738 169 E HN 0.336 nan 8.360 nan 0.000 0.459 170 P HA 0.033 nan 4.420 nan 0.000 0.217 170 P C 1.097 178.485 177.300 0.147 0.000 1.153 170 P CA 0.543 63.726 63.100 0.138 0.000 0.843 170 P CB -0.141 31.640 31.700 0.135 0.000 0.794 171 F N 1.539 121.552 119.950 0.104 0.000 2.171 171 F HA -0.116 4.410 4.527 -0.001 0.000 0.300 171 F C 2.028 177.867 175.800 0.065 0.000 1.090 171 F CA 1.568 59.621 58.000 0.089 0.000 1.293 171 F CB -0.287 38.881 39.000 0.280 0.000 1.013 171 F HN -0.272 nan 8.300 nan 0.000 0.486 172 K N 0.429 121.070 120.400 0.401 0.000 2.155 172 K HA -0.177 4.142 4.320 -0.001 0.000 0.203 172 K C 2.353 179.008 176.600 0.093 0.000 1.052 172 K CA 1.038 57.484 56.287 0.265 0.000 0.948 172 K CB -0.163 32.457 32.500 0.201 0.000 0.728 172 K HN 0.216 nan 8.250 nan 0.000 0.448 173 K N 0.826 121.260 120.400 0.057 0.000 1.984 173 K HA -0.203 4.116 4.320 -0.001 0.000 0.209 173 K C 1.975 178.555 176.600 -0.033 0.000 1.046 173 K CA 1.750 58.044 56.287 0.011 0.000 0.934 173 K CB -0.030 32.475 32.500 0.008 0.000 0.717 173 K HN 0.193 nan 8.250 nan 0.000 0.438 174 Q N 0.055 119.809 119.800 -0.077 0.000 2.170 174 Q HA -0.114 4.226 4.340 -0.001 0.000 0.203 174 Q C -0.083 175.800 176.000 -0.196 0.000 0.976 174 Q CA 1.216 56.934 55.803 -0.141 0.000 0.858 174 Q CB 0.013 28.646 28.738 -0.175 0.000 0.907 174 Q HN 0.280 nan 8.270 nan 0.000 0.433 175 N N 0.679 119.227 118.700 -0.253 0.000 2.976 175 N HA 0.110 4.850 4.740 -0.001 0.000 0.255 175 N C -2.314 173.167 175.510 -0.049 0.000 1.312 175 N CA -1.087 51.833 53.050 -0.217 0.000 0.897 175 N CB 1.233 39.457 38.487 -0.438 0.000 1.184 175 N HN 0.062 nan 8.380 nan 0.000 0.497 176 P HA 0.083 nan 4.420 nan 0.000 0.253 176 P C -0.456 176.858 177.300 0.022 0.000 1.281 176 P CA 0.609 63.715 63.100 0.010 0.000 0.792 176 P CB 0.522 32.220 31.700 -0.003 0.000 1.193 177 D N -0.832 119.585 120.400 0.029 0.000 2.433 177 D HA 0.205 4.844 4.640 -0.001 0.000 0.211 177 D C 0.651 176.990 176.300 0.064 0.000 1.114 177 D CA 0.035 54.056 54.000 0.035 0.000 0.837 177 D CB 0.264 41.078 40.800 0.023 0.000 0.984 177 D HN 0.196 nan 8.370 nan 0.000 0.505 178 I N 1.680 122.312 120.570 0.103 0.000 2.396 178 I HA 0.180 4.349 4.170 -0.001 0.000 0.292 178 I C 0.270 176.468 176.117 0.135 0.000 0.999 178 I CA -1.039 60.352 61.300 0.152 0.000 1.310 178 I CB 1.444 39.599 38.000 0.258 0.000 1.404 178 I HN -0.219 nan 8.210 nan 0.000 0.496 179 V N 5.448 125.432 119.914 0.117 0.000 2.539 179 V HA 0.597 4.717 4.120 -0.001 0.000 0.292 179 V C -0.322 175.850 176.094 0.130 0.000 1.045 179 V CA -0.401 61.955 62.300 0.093 0.000 0.945 179 V CB 1.651 33.507 31.823 0.056 0.000 0.993 179 V HN 0.597 nan 8.190 nan 0.000 0.464 180 I N 5.607 126.253 120.570 0.126 0.000 2.560 180 I HA 0.280 4.449 4.170 -0.001 0.000 0.278 180 I C -1.449 174.805 176.117 0.228 0.000 1.089 180 I CA -0.436 60.962 61.300 0.162 0.000 1.086 180 I CB 1.450 39.510 38.000 0.100 0.000 1.202 180 I HN 0.767 nan 8.210 nan 0.000 0.471 181 Y N 6.458 126.830 120.300 0.120 0.000 2.341 181 Y HA 0.334 4.883 4.550 -0.001 0.000 0.340 181 Y C -0.176 175.853 175.900 0.215 0.000 0.997 181 Y CA -0.952 57.217 58.100 0.115 0.000 1.149 181 Y CB 1.197 39.680 38.460 0.038 0.000 1.171 181 Y HN 0.527 nan 8.280 nan 0.000 0.494 182 Q N 6.664 126.829 119.800 0.609 0.000 2.331 182 Q HA 0.196 4.535 4.340 -0.001 0.000 0.257 182 Q C -2.087 174.044 176.000 0.218 0.000 0.957 182 Q CA -0.593 55.409 55.803 0.331 0.000 0.923 182 Q CB 0.605 29.508 28.738 0.275 0.000 1.212 182 Q HN 0.733 nan 8.270 nan 0.000 0.443 183 Y N 6.850 127.077 120.300 -0.122 0.000 2.376 183 Y HA 0.293 4.842 4.550 -0.001 0.000 0.326 183 Y C 0.029 175.953 175.900 0.041 0.000 0.970 183 Y CA -0.351 57.613 58.100 -0.226 0.000 1.248 183 Y CB 0.419 38.466 38.460 -0.687 0.000 1.117 183 Y HN 0.949 nan 8.280 nan 0.000 0.476 184 M N 1.647 121.030 119.600 -0.362 0.000 7.319 184 M HA -0.445 4.035 4.480 -0.001 0.000 0.097 184 M C 0.804 177.173 176.300 0.116 0.000 0.480 184 M CA 2.060 57.245 55.300 -0.193 0.000 1.311 184 M CB -0.600 31.855 32.600 -0.241 0.000 0.421 184 M HN 0.732 nan 8.290 nan 0.000 0.169 185 D N 0.352 120.857 120.400 0.176 0.000 2.221 185 D HA -0.037 4.603 4.640 -0.001 0.000 0.204 185 D C 0.102 176.400 176.300 -0.002 0.000 0.982 185 D CA 1.460 55.505 54.000 0.074 0.000 0.857 185 D CB -0.378 40.461 40.800 0.065 0.000 0.934 185 D HN 0.347 nan 8.370 nan 0.000 0.475 186 D N 0.225 120.701 120.400 0.125 0.000 2.304 186 D HA 0.330 4.969 4.640 -0.001 0.000 0.247 186 D C -0.435 175.971 176.300 0.178 0.000 1.089 186 D CA -0.438 53.630 54.000 0.114 0.000 0.910 186 D CB 1.666 42.628 40.800 0.269 0.000 1.199 186 D HN -0.011 nan 8.370 nan 0.000 0.426 187 L N 2.575 123.827 121.223 0.048 0.000 2.356 187 L HA 0.329 4.668 4.340 -0.001 0.000 0.277 187 L C -1.745 175.185 176.870 0.099 0.000 0.996 187 L CA -0.765 54.163 54.840 0.148 0.000 0.822 187 L CB 1.167 43.253 42.059 0.045 0.000 1.256 187 L HN 0.178 nan 8.230 nan 0.000 0.413 188 Y N 4.442 124.797 120.300 0.091 0.000 2.342 188 Y HA 0.566 5.116 4.550 -0.001 0.000 0.338 188 Y C -0.103 175.869 175.900 0.120 0.000 0.965 188 Y CA -0.924 57.248 58.100 0.119 0.000 1.159 188 Y CB 1.680 40.219 38.460 0.132 0.000 1.157 188 Y HN 0.258 nan 8.280 nan 0.000 0.486 189 V N 3.576 123.610 119.914 0.201 0.000 2.347 189 V HA 0.748 4.867 4.120 -0.001 0.000 0.280 189 V C 0.385 176.621 176.094 0.237 0.000 1.021 189 V CA -0.710 61.694 62.300 0.173 0.000 0.847 189 V CB 1.222 33.097 31.823 0.087 0.000 0.990 189 V HN 0.915 nan 8.190 nan 0.000 0.444 190 G N 3.047 111.974 108.800 0.211 0.000 2.513 190 G HA2 0.765 4.724 3.960 -0.001 0.000 0.317 190 G HA3 0.765 4.724 3.960 -0.001 0.000 0.317 190 G C -0.515 174.488 174.900 0.172 0.000 1.277 190 G CA 0.035 45.239 45.100 0.173 0.000 0.955 190 G HN 0.995 nan 8.290 nan 0.000 0.484 191 S N -0.080 115.710 115.700 0.151 0.000 2.703 191 S HA 0.538 5.007 4.470 -0.001 0.000 0.273 191 S C -1.486 173.152 174.600 0.065 0.000 1.178 191 S CA -0.782 57.508 58.200 0.150 0.000 0.838 191 S CB 2.011 65.378 63.200 0.279 0.000 1.178 191 S HN 0.362 nan 8.310 nan 0.000 0.494 192 D N 1.331 121.773 120.400 0.071 0.000 2.891 192 D HA 0.344 4.983 4.640 -0.001 0.000 0.332 192 D C 0.171 176.497 176.300 0.044 0.000 1.369 192 D CA -0.035 53.980 54.000 0.024 0.000 0.827 192 D CB 0.278 41.081 40.800 0.005 0.000 1.141 192 D HN 0.474 nan 8.370 nan 0.000 0.464 193 L N -0.975 120.306 121.223 0.097 0.000 2.635 193 L HA 0.445 4.784 4.340 -0.001 0.000 0.250 193 L C 0.967 177.882 176.870 0.074 0.000 1.117 193 L CA -1.146 53.748 54.840 0.089 0.000 0.834 193 L CB 0.427 42.559 42.059 0.122 0.000 1.544 193 L HN -0.252 nan 8.230 nan 0.000 0.511 194 E N 0.389 120.629 120.200 0.066 0.000 2.418 194 E HA 0.072 4.421 4.350 -0.001 0.000 0.261 194 E C 0.884 177.539 176.600 0.092 0.000 1.070 194 E CA 0.290 56.720 56.400 0.050 0.000 0.931 194 E CB 1.010 30.733 29.700 0.037 0.000 0.954 194 E HN 0.464 nan 8.360 nan 0.000 0.439 195 I N 1.461 122.069 120.570 0.064 0.000 3.241 195 I HA -0.129 4.040 4.170 -0.001 0.000 0.280 195 I C 1.714 177.898 176.117 0.111 0.000 1.320 195 I CA 0.738 62.097 61.300 0.098 0.000 1.413 195 I CB -0.141 37.885 38.000 0.043 0.000 1.060 195 I HN 0.497 nan 8.210 nan 0.000 0.500 196 G N -0.232 108.619 108.800 0.084 0.000 2.556 196 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.209 196 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.209 196 G C 1.469 176.410 174.900 0.069 0.000 1.159 196 G CA -0.002 45.138 45.100 0.067 0.000 0.828 196 G HN 0.274 nan 8.290 nan 0.000 0.553 197 Q N -0.461 119.383 119.800 0.073 0.000 2.083 197 Q HA -0.068 4.271 4.340 -0.001 0.000 0.198 197 Q C 2.185 178.222 176.000 0.061 0.000 0.969 197 Q CA 1.231 57.069 55.803 0.058 0.000 0.838 197 Q CB -0.224 28.546 28.738 0.053 0.000 0.900 197 Q HN 0.684 nan 8.270 nan 0.000 0.436 198 H N 0.994 120.092 119.070 0.045 0.000 2.492 198 H HA -0.073 4.482 4.556 -0.001 0.000 0.296 198 H C 1.221 176.585 175.328 0.060 0.000 1.095 198 H CA 1.347 57.429 56.048 0.057 0.000 1.281 198 H CB 0.254 30.049 29.762 0.055 0.000 1.374 198 H HN 0.048 nan 8.280 nan 0.000 0.545 199 R N -1.209 119.293 120.500 0.003 0.000 2.310 199 R HA 0.087 4.426 4.340 -0.001 0.000 0.202 199 R C 1.098 177.386 176.300 -0.019 0.000 0.933 199 R CA 0.932 57.027 56.100 -0.008 0.000 1.054 199 R CB 0.464 30.803 30.300 0.065 0.000 0.985 199 R HN 0.266 nan 8.270 nan 0.000 0.489 200 T N 0.228 114.769 114.554 -0.021 0.000 3.046 200 T HA 0.066 4.415 4.350 -0.001 0.000 0.242 200 T C 1.545 176.255 174.700 0.017 0.000 1.018 200 T CA 0.227 62.330 62.100 0.005 0.000 1.131 200 T CB 0.280 69.156 68.868 0.015 0.000 0.904 200 T HN -0.067 nan 8.240 nan 0.000 0.459 201 K N 1.609 122.009 120.400 0.001 0.000 2.148 201 K HA 0.115 4.435 4.320 -0.001 0.000 0.204 201 K C 2.104 178.786 176.600 0.137 0.000 1.050 201 K CA 0.588 56.927 56.287 0.087 0.000 0.942 201 K CB -0.547 32.002 32.500 0.083 0.000 0.724 201 K HN 0.282 nan 8.250 nan 0.000 0.446 202 I N 1.212 121.760 120.570 -0.037 0.000 2.099 202 I HA -0.250 3.919 4.170 -0.001 0.000 0.239 202 I C 2.212 178.338 176.117 0.016 0.000 1.066 202 I CA 1.374 62.640 61.300 -0.057 0.000 1.324 202 I CB -0.922 37.003 38.000 -0.125 0.000 1.037 202 I HN 0.161 nan 8.210 nan 0.000 0.401 203 E N 1.042 121.257 120.200 0.024 0.000 2.171 203 E HA -0.238 4.111 4.350 -0.001 0.000 0.197 203 E C 2.064 178.718 176.600 0.091 0.000 0.997 203 E CA 1.423 57.850 56.400 0.045 0.000 0.810 203 E CB -0.107 29.614 29.700 0.035 0.000 0.738 203 E HN 0.444 nan 8.360 nan 0.000 0.467 204 E N -0.665 119.624 120.200 0.147 0.000 2.017 204 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 204 E C 2.057 178.853 176.600 0.326 0.000 0.997 204 E CA 1.161 57.700 56.400 0.233 0.000 0.804 204 E CB -0.263 29.603 29.700 0.276 0.000 0.757 204 E HN 0.194 nan 8.360 nan 0.000 0.448 205 L N 1.426 122.852 121.223 0.338 0.000 1.989 205 L HA -0.221 4.119 4.340 -0.001 0.000 0.211 205 L C 2.139 179.020 176.870 0.019 0.000 1.071 205 L CA 1.773 56.583 54.840 -0.049 0.000 0.749 205 L CB -0.366 41.354 42.059 -0.564 0.000 0.890 205 L HN -0.020 nan 8.230 nan 0.000 0.431 206 R N -0.243 120.264 120.500 0.012 0.000 2.134 206 R HA -0.203 4.136 4.340 -0.001 0.000 0.248 206 R C 2.224 178.555 176.300 0.051 0.000 1.143 206 R CA 1.813 57.920 56.100 0.011 0.000 0.957 206 R CB -1.028 29.282 30.300 0.016 0.000 0.867 206 R HN 0.576 nan 8.270 nan 0.000 0.441 207 Q N -0.811 119.046 119.800 0.095 0.000 2.123 207 Q HA -0.132 4.207 4.340 -0.001 0.000 0.199 207 Q C 2.054 178.163 176.000 0.182 0.000 0.966 207 Q CA 1.242 57.111 55.803 0.111 0.000 0.845 207 Q CB -0.598 28.201 28.738 0.102 0.000 0.907 207 Q HN 0.484 nan 8.270 nan 0.000 0.439 208 H N 1.011 120.150 119.070 0.115 0.000 2.293 208 H HA -0.028 4.528 4.556 -0.001 0.000 0.300 208 H C 2.003 177.439 175.328 0.180 0.000 1.082 208 H CA 1.508 57.661 56.048 0.176 0.000 1.308 208 H CB -0.408 29.505 29.762 0.252 0.000 1.375 208 H HN 0.115 nan 8.280 nan 0.000 0.495 209 L N -0.565 120.666 121.223 0.012 0.000 2.083 209 L HA -0.148 4.192 4.340 -0.001 0.000 0.209 209 L C 2.527 179.421 176.870 0.040 0.000 1.083 209 L CA 0.931 55.733 54.840 -0.064 0.000 0.752 209 L CB -0.340 41.669 42.059 -0.084 0.000 0.899 209 L HN 0.271 nan 8.230 nan 0.000 0.433 210 L N -0.159 121.096 121.223 0.053 0.000 2.131 210 L HA -0.205 4.134 4.340 -0.001 0.000 0.210 210 L C 2.603 179.510 176.870 0.061 0.000 1.092 210 L CA 1.699 56.567 54.840 0.047 0.000 0.759 210 L CB -0.345 41.736 42.059 0.037 0.000 0.903 210 L HN 0.145 nan 8.230 nan 0.000 0.435 211 R N -2.346 118.206 120.500 0.086 0.000 2.055 211 R HA -0.067 4.272 4.340 -0.001 0.000 0.221 211 R C 0.578 176.909 176.300 0.052 0.000 1.154 211 R CA 0.630 56.749 56.100 0.031 0.000 0.975 211 R CB -0.702 29.598 30.300 0.001 0.000 0.869 211 R HN 0.256 nan 8.270 nan 0.000 0.437 212 W N 2.396 123.722 121.300 0.044 0.000 2.429 212 W HA 0.093 4.752 4.660 -0.001 0.000 0.431 212 W C 0.462 176.979 176.519 -0.003 0.000 1.038 212 W CA 0.701 58.059 57.345 0.021 0.000 1.635 212 W CB 0.289 29.731 29.460 -0.030 0.000 1.721 212 W HN 0.575 nan 8.180 nan 0.000 0.366 213 G N 3.004 112.048 108.800 0.407 0.000 2.176 213 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.232 213 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.232 213 G C 0.585 175.587 174.900 0.170 0.000 0.986 213 G CA -0.246 45.029 45.100 0.291 0.000 0.643 213 G HN 1.105 nan 8.290 nan 0.000 0.522 214 L N -2.474 118.823 121.223 0.124 0.000 4.312 214 L HA -0.192 4.147 4.340 -0.001 0.000 0.427 214 L C 0.548 177.448 176.870 0.051 0.000 1.149 214 L CA 0.932 55.814 54.840 0.070 0.000 0.978 214 L CB -2.919 39.176 42.059 0.061 0.000 1.963 214 L HN 0.289 nan 8.230 nan 0.000 0.970 215 T N 1.376 115.970 114.554 0.066 0.000 2.761 215 T HA 0.140 4.489 4.350 -0.001 0.000 0.262 215 T C 0.969 175.653 174.700 -0.026 0.000 0.968 215 T CA 0.788 62.896 62.100 0.013 0.000 1.235 215 T CB -0.041 68.853 68.868 0.043 0.000 0.925 215 T HN 0.299 nan 8.240 nan 0.000 0.545 216 T N 8.029 122.554 114.554 -0.048 0.000 2.738 216 T HA 0.296 4.646 4.350 -0.001 0.000 0.294 216 T C -2.093 172.557 174.700 -0.084 0.000 0.914 216 T CA -0.941 61.130 62.100 -0.047 0.000 1.052 216 T CB 0.544 69.392 68.868 -0.033 0.000 0.897 216 T HN 0.297 nan 8.240 nan 0.000 0.522 217 P HA 0.377 nan 4.420 nan 0.000 0.293 217 P C -0.862 176.402 177.300 -0.059 0.000 1.291 217 P CA -0.830 62.219 63.100 -0.084 0.000 0.867 217 P CB 0.838 32.495 31.700 -0.073 0.000 1.074 218 D N 2.553 122.913 120.400 -0.067 0.000 2.411 218 D HA 0.124 4.764 4.640 -0.001 0.000 0.225 218 D C 0.334 176.613 176.300 -0.034 0.000 1.156 218 D CA 0.019 53.991 54.000 -0.046 0.000 0.874 218 D CB 0.718 41.483 40.800 -0.057 0.000 1.034 218 D HN 0.387 nan 8.370 nan 0.000 0.502 219 K N 0.495 120.889 120.400 -0.010 0.000 2.245 219 K HA 0.645 4.965 4.320 -0.001 0.000 0.234 219 K C -0.340 176.273 176.600 0.020 0.000 1.021 219 K CA -0.941 55.351 56.287 0.008 0.000 0.898 219 K CB 1.827 34.342 32.500 0.025 0.000 1.163 219 K HN -0.197 nan 8.250 nan 0.000 0.459 220 K N 2.156 122.574 120.400 0.031 0.000 2.695 220 K HA 0.130 4.449 4.320 -0.001 0.000 0.255 220 K C -0.821 175.797 176.600 0.029 0.000 1.016 220 K CA -0.625 55.668 56.287 0.010 0.000 0.928 220 K CB 0.949 33.427 32.500 -0.037 0.000 1.235 220 K HN 0.923 nan 8.250 nan 0.000 0.467 232 Y N 0.391 120.675 120.300 -0.026 0.000 3.202 232 Y HA -0.183 4.367 4.550 -0.001 0.000 0.188 232 Y C 0.017 175.900 175.900 -0.029 0.000 1.761 232 Y CA -0.103 57.978 58.100 -0.033 0.000 1.315 232 Y CB -1.442 36.980 38.460 -0.064 0.000 1.545 232 Y HN 0.395 nan 8.280 nan 0.000 0.463 233 E N 2.551 122.573 120.200 -0.297 0.000 2.414 233 E HA 0.443 4.793 4.350 -0.001 0.000 0.263 233 E C 0.048 176.260 176.600 -0.646 0.000 1.000 233 E CA 0.046 56.229 56.400 -0.362 0.000 0.914 233 E CB 0.915 30.497 29.700 -0.197 0.000 0.948 233 E HN 0.517 nan 8.360 nan 0.000 0.444 234 L N 2.879 123.707 121.223 -0.658 0.000 2.401 234 L HA 0.321 4.661 4.340 -0.001 0.000 0.266 234 L C -0.524 175.891 176.870 -0.759 0.000 0.991 234 L CA -0.683 53.843 54.840 -0.523 0.000 0.818 234 L CB 1.842 43.832 42.059 -0.116 0.000 1.321 234 L HN 0.450 nan 8.230 nan 0.000 0.413 235 H N 3.066 122.000 119.070 -0.227 0.000 2.791 235 H HA 0.177 4.732 4.556 -0.001 0.000 0.272 235 H C -2.054 172.685 175.328 -0.981 0.000 1.188 235 H CA -1.673 54.123 56.048 -0.420 0.000 1.436 235 H CB 1.470 31.085 29.762 -0.245 0.000 1.467 235 H HN 0.364 nan 8.280 nan 0.000 0.500 236 P HA -0.239 nan 4.420 nan 0.000 0.214 236 P C 1.226 177.967 177.300 -0.931 0.000 1.163 236 P CA 1.600 63.799 63.100 -1.501 0.000 0.889 236 P CB 0.478 31.767 31.700 -0.685 0.000 0.790 237 D N 0.559 120.670 120.400 -0.481 0.000 2.106 237 D HA -0.227 4.413 4.640 -0.001 0.000 0.191 237 D C 1.706 177.903 176.300 -0.170 0.000 0.997 237 D CA 1.530 55.385 54.000 -0.241 0.000 0.834 237 D CB -1.006 39.695 40.800 -0.165 0.000 0.956 237 D HN 0.063 nan 8.370 nan 0.000 0.448 238 K N -0.068 120.210 120.400 -0.205 0.000 2.173 238 K HA -0.133 4.187 4.320 -0.001 0.000 0.207 238 K C 0.540 177.227 176.600 0.146 0.000 1.046 238 K CA 0.476 56.742 56.287 -0.035 0.000 0.929 238 K CB -0.517 31.987 32.500 0.007 0.000 0.720 238 K HN 0.413 nan 8.250 nan 0.000 0.453 239 W N 2.552 123.891 121.300 0.065 0.000 2.812 239 W HA 0.054 4.714 4.660 -0.001 0.000 0.376 239 W C 0.487 177.041 176.519 0.058 0.000 1.309 239 W CA 0.273 57.664 57.345 0.077 0.000 1.479 239 W CB -1.210 28.302 29.460 0.086 0.000 1.595 239 W HN 0.048 nan 8.180 nan 0.000 0.508 240 T N -1.723 112.982 114.554 0.252 0.000 4.242 240 T HA 0.125 4.475 4.350 -0.001 0.000 0.288 240 T C -0.059 174.721 174.700 0.132 0.000 0.931 240 T CA -0.447 61.747 62.100 0.157 0.000 1.071 240 T CB -0.778 68.154 68.868 0.107 0.000 1.054 240 T HN -0.080 nan 8.240 nan 0.000 0.481 241 V N 2.808 122.808 119.914 0.144 0.000 3.451 241 V HA -0.022 4.097 4.120 -0.001 0.000 0.332 241 V C 2.569 178.725 176.094 0.103 0.000 1.198 241 V CA 0.998 63.370 62.300 0.120 0.000 1.317 241 V CB -1.126 30.772 31.823 0.125 0.000 1.117 241 V HN 0.770 nan 8.190 nan 0.000 0.421 242 Q N 1.372 121.229 119.800 0.095 0.000 2.167 242 Q HA -0.008 4.331 4.340 -0.001 0.000 0.202 242 Q C -0.922 175.134 176.000 0.093 0.000 0.970 242 Q CA 0.431 56.292 55.803 0.096 0.000 0.855 242 Q CB -1.648 27.141 28.738 0.085 0.000 0.911 242 Q HN 0.607 nan 8.270 nan 0.000 0.438 243 P HA 0.003 nan 4.420 nan 0.000 0.270 243 P C -0.046 177.285 177.300 0.051 0.000 1.221 243 P CA 0.388 63.516 63.100 0.047 0.000 0.788 243 P CB 0.411 32.133 31.700 0.037 0.000 0.904 244 I N -1.899 118.670 120.570 -0.001 0.000 2.926 244 I HA 0.274 4.444 4.170 -0.001 0.000 0.295 244 I C -0.002 176.079 176.117 -0.060 0.000 1.463 244 I CA -1.212 60.075 61.300 -0.021 0.000 0.892 244 I CB 1.044 38.999 38.000 -0.076 0.000 1.874 244 I HN -0.037 nan 8.210 nan 0.000 0.620 245 V N 5.016 124.912 119.914 -0.031 0.000 2.644 245 V HA 0.082 4.201 4.120 -0.001 0.000 0.305 245 V C 0.315 176.376 176.094 -0.054 0.000 1.053 245 V CA 0.630 62.910 62.300 -0.033 0.000 1.186 245 V CB 0.788 32.607 31.823 -0.006 0.000 0.895 245 V HN 0.546 nan 8.190 nan 0.000 0.490 246 L N 9.036 130.239 121.223 -0.034 0.000 2.325 246 L HA 0.496 4.835 4.340 -0.001 0.000 0.279 246 L C -2.006 174.891 176.870 0.045 0.000 1.054 246 L CA -1.892 52.940 54.840 -0.013 0.000 0.804 246 L CB 1.477 43.533 42.059 -0.005 0.000 1.200 246 L HN 0.508 nan 8.230 nan 0.000 0.436 247 P HA 0.026 nan 4.420 nan 0.000 0.266 247 P C -0.997 176.420 177.300 0.195 0.000 1.215 247 P CA -0.142 63.003 63.100 0.076 0.000 0.763 247 P CB 0.379 32.106 31.700 0.045 0.000 0.806 248 E N 4.011 124.278 120.200 0.112 0.000 2.103 248 E HA 0.266 4.616 4.350 -0.001 0.000 0.254 248 E C -0.441 176.165 176.600 0.010 0.000 0.940 248 E CA -0.932 55.588 56.400 0.200 0.000 0.771 248 E CB 0.719 30.506 29.700 0.146 0.000 1.153 248 E HN 0.293 nan 8.360 nan 0.000 0.428 249 K N 2.196 122.428 120.400 -0.280 0.000 2.842 249 K HA 0.209 4.528 4.320 -0.001 0.000 0.310 249 K C -0.088 176.336 176.600 -0.295 0.000 0.992 249 K CA 0.035 56.028 56.287 -0.491 0.000 1.207 249 K CB 0.298 32.203 32.500 -0.992 0.000 1.478 249 K HN 0.393 nan 8.250 nan 0.000 0.601 250 D N -1.357 118.810 120.400 -0.388 0.000 2.680 250 D HA -0.005 4.635 4.640 -0.001 0.000 0.295 250 D C 0.007 176.196 176.300 -0.186 0.000 1.097 250 D CA -0.204 53.705 54.000 -0.151 0.000 0.952 250 D CB 0.116 40.859 40.800 -0.096 0.000 1.491 250 D HN 0.176 nan 8.370 nan 0.000 0.486 251 S N -0.390 115.114 115.700 -0.327 0.000 2.429 251 S HA 0.510 4.979 4.470 -0.001 0.000 0.302 251 S C -1.677 172.734 174.600 -0.316 0.000 1.115 251 S CA -0.753 57.329 58.200 -0.196 0.000 1.095 251 S CB 0.121 63.247 63.200 -0.124 0.000 0.987 251 S HN 0.241 nan 8.310 nan 0.000 0.474 252 W N 3.093 124.389 121.300 -0.006 0.000 2.600 252 W HA 0.422 5.082 4.660 -0.001 0.000 0.325 252 W C 0.390 176.906 176.519 -0.005 0.000 1.034 252 W CA -0.762 56.579 57.345 -0.007 0.000 1.226 252 W CB 1.354 30.808 29.460 -0.009 0.000 1.379 252 W HN 0.634 nan 8.180 nan 0.000 0.466 253 T N -1.807 112.878 114.554 0.219 0.000 2.927 253 T HA 0.291 4.641 4.350 -0.001 0.000 0.281 253 T C 0.965 175.741 174.700 0.127 0.000 0.998 253 T CA -0.797 61.381 62.100 0.130 0.000 1.019 253 T CB 1.356 70.270 68.868 0.078 0.000 1.061 253 T HN 0.230 nan 8.240 nan 0.000 0.518 254 V N 1.563 121.523 119.914 0.078 0.000 2.278 254 V HA -0.277 3.842 4.120 -0.001 0.000 0.251 254 V C 2.944 179.072 176.094 0.057 0.000 1.062 254 V CA 2.339 64.671 62.300 0.053 0.000 1.038 254 V CB -1.204 30.640 31.823 0.034 0.000 0.646 254 V HN 1.049 nan 8.190 nan 0.000 0.447 255 N N 0.434 119.170 118.700 0.060 0.000 2.094 255 N HA -0.250 4.490 4.740 -0.001 0.000 0.191 255 N C 1.507 177.066 175.510 0.081 0.000 1.023 255 N CA 2.162 55.246 53.050 0.057 0.000 0.857 255 N CB -0.258 38.258 38.487 0.049 0.000 1.013 255 N HN 0.535 nan 8.380 nan 0.000 0.426 256 D N 0.435 120.913 120.400 0.130 0.000 2.277 256 D HA 0.011 4.651 4.640 -0.001 0.000 0.208 256 D C 2.039 178.469 176.300 0.216 0.000 0.962 256 D CA 0.289 54.414 54.000 0.209 0.000 0.865 256 D CB 0.217 41.198 40.800 0.302 0.000 0.939 256 D HN 0.461 nan 8.370 nan 0.000 0.510 257 I N 0.806 121.449 120.570 0.123 0.000 2.333 257 I HA -0.217 3.953 4.170 -0.001 0.000 0.246 257 I C 2.387 178.491 176.117 -0.021 0.000 1.106 257 I CA 0.766 62.057 61.300 -0.016 0.000 1.411 257 I CB -0.251 37.719 38.000 -0.049 0.000 1.082 257 I HN -0.080 nan 8.210 nan 0.000 0.420 258 Q N 1.057 120.862 119.800 0.010 0.000 2.020 258 Q HA -0.188 4.151 4.340 -0.001 0.000 0.202 258 Q C 2.196 178.201 176.000 0.009 0.000 0.982 258 Q CA 1.282 57.087 55.803 0.004 0.000 0.838 258 Q CB -0.132 28.614 28.738 0.015 0.000 0.899 258 Q HN 0.350 nan 8.270 nan 0.000 0.423 259 K N 0.480 120.898 120.400 0.030 0.000 2.211 259 K HA -0.167 4.152 4.320 -0.001 0.000 0.204 259 K C 2.014 178.623 176.600 0.015 0.000 1.047 259 K CA 0.815 57.120 56.287 0.030 0.000 0.935 259 K CB -0.230 32.303 32.500 0.056 0.000 0.728 259 K HN 0.154 nan 8.250 nan 0.000 0.452 260 L N 0.557 121.788 121.223 0.014 0.000 2.102 260 L HA -0.083 4.256 4.340 -0.001 0.000 0.202 260 L C 2.154 178.992 176.870 -0.053 0.000 1.076 260 L CA 1.057 55.883 54.840 -0.023 0.000 0.761 260 L CB -0.278 41.734 42.059 -0.078 0.000 0.921 260 L HN -0.190 nan 8.230 nan 0.000 0.444 261 V N 0.056 119.935 119.914 -0.058 0.000 2.233 261 V HA -0.234 3.886 4.120 -0.001 0.000 0.247 261 V C 2.580 178.661 176.094 -0.022 0.000 1.050 261 V CA 1.944 64.212 62.300 -0.053 0.000 1.010 261 V CB -1.817 29.978 31.823 -0.047 0.000 0.637 261 V HN 0.588 nan 8.190 nan 0.000 0.444 262 G N -0.373 108.424 108.800 -0.006 0.000 2.545 262 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.217 262 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.217 262 G C 1.603 176.526 174.900 0.039 0.000 1.218 262 G CA 1.179 46.290 45.100 0.019 0.000 0.787 262 G HN 0.494 nan 8.290 nan 0.000 0.571 263 K N -0.388 120.014 120.400 0.004 0.000 2.362 263 K HA -0.045 4.275 4.320 -0.001 0.000 0.202 263 K C 2.206 178.841 176.600 0.059 0.000 1.045 263 K CA 0.950 57.233 56.287 -0.005 0.000 0.936 263 K CB -0.137 32.322 32.500 -0.068 0.000 0.747 263 K HN 0.323 nan 8.250 nan 0.000 0.467 264 L N 0.133 121.363 121.223 0.011 0.000 2.408 264 L HA 0.106 4.446 4.340 -0.001 0.000 0.215 264 L C 1.592 178.439 176.870 -0.039 0.000 1.081 264 L CA 1.056 55.876 54.840 -0.033 0.000 0.840 264 L CB -0.195 41.821 42.059 -0.071 0.000 1.002 264 L HN 0.140 nan 8.230 nan 0.000 0.468 265 N N -1.316 117.383 118.700 -0.001 0.000 2.173 265 N HA -0.256 4.483 4.740 -0.001 0.000 0.184 265 N C 1.774 177.273 175.510 -0.018 0.000 1.025 265 N CA 1.449 54.490 53.050 -0.015 0.000 0.852 265 N CB -0.437 38.057 38.487 0.011 0.000 0.998 265 N HN 0.447 nan 8.380 nan 0.000 0.427 266 W N 1.688 122.906 121.300 -0.137 0.000 2.325 266 W HA -0.160 4.499 4.660 -0.001 0.000 0.299 266 W C 2.027 178.384 176.519 -0.269 0.000 1.215 266 W CA 2.121 59.362 57.345 -0.174 0.000 1.244 266 W CB -0.659 28.694 29.460 -0.178 0.000 1.140 266 W HN 0.150 nan 8.180 nan 0.000 0.523 267 A N 1.001 123.602 122.820 -0.364 0.000 1.873 267 A HA -0.337 3.982 4.320 -0.001 0.000 0.218 267 A C 2.157 179.359 177.584 -0.636 0.000 1.193 267 A CA 3.345 54.954 52.037 -0.712 0.000 0.629 267 A CB -1.717 17.102 19.000 -0.303 0.000 0.826 267 A HN 0.558 nan 8.150 nan 0.000 0.447 268 S N -0.263 115.219 115.700 -0.362 0.000 2.493 268 S HA -0.224 4.245 4.470 -0.001 0.000 0.243 268 S C 1.509 175.945 174.600 -0.273 0.000 0.991 268 S CA 1.327 59.388 58.200 -0.232 0.000 0.957 268 S CB -0.614 62.502 63.200 -0.139 0.000 0.756 268 S HN 0.701 nan 8.310 nan 0.000 0.521 269 Q N 0.028 119.541 119.800 -0.479 0.000 2.541 269 Q HA 0.178 4.517 4.340 -0.001 0.000 0.215 269 Q C 1.302 177.023 176.000 -0.465 0.000 0.977 269 Q CA 0.794 56.320 55.803 -0.462 0.000 0.934 269 Q CB -0.230 28.059 28.738 -0.748 0.000 0.988 269 Q HN 0.711 nan 8.270 nan 0.000 0.521 270 I N -2.202 118.098 120.570 -0.450 0.000 3.809 270 I HA 0.005 4.174 4.170 -0.001 0.000 0.245 270 I C -0.245 175.741 176.117 -0.218 0.000 1.119 270 I CA -0.283 60.835 61.300 -0.303 0.000 1.597 270 I CB 0.240 38.048 38.000 -0.320 0.000 1.605 270 I HN -0.080 nan 8.210 nan 0.000 0.441 271 Y N 4.253 124.392 120.300 -0.269 0.000 2.496 271 Y HA 0.100 4.649 4.550 -0.001 0.000 0.334 271 Y C -1.387 174.431 175.900 -0.138 0.000 1.080 271 Y CA -2.428 55.567 58.100 -0.175 0.000 1.355 271 Y CB -0.418 37.934 38.460 -0.180 0.000 1.193 271 Y HN 0.114 nan 8.280 nan 0.000 0.523 272 P HA -0.130 nan 4.420 nan 0.000 0.216 272 P C 1.169 178.473 177.300 0.005 0.000 1.153 272 P CA 1.762 64.857 63.100 -0.008 0.000 0.848 272 P CB 0.267 31.963 31.700 -0.008 0.000 0.787 273 G N -0.347 108.470 108.800 0.028 0.000 3.181 273 G HA2 0.158 4.117 3.960 -0.001 0.000 0.219 273 G HA3 0.158 4.117 3.960 -0.001 0.000 0.219 273 G C 0.668 175.567 174.900 -0.000 0.000 1.182 273 G CA -0.337 44.772 45.100 0.016 0.000 0.791 273 G HN 0.229 nan 8.290 nan 0.000 0.537 274 I N 1.382 121.946 120.570 -0.011 0.000 2.494 274 I HA 0.080 4.249 4.170 -0.001 0.000 0.289 274 I C -0.081 176.006 176.117 -0.050 0.000 1.106 274 I CA 0.433 61.704 61.300 -0.047 0.000 1.369 274 I CB 0.540 38.491 38.000 -0.083 0.000 1.410 274 I HN -0.032 nan 8.210 nan 0.000 0.523 275 K N 6.415 126.785 120.400 -0.049 0.000 2.389 275 K HA 0.302 4.622 4.320 -0.001 0.000 0.261 275 K C -0.074 176.492 176.600 -0.057 0.000 1.014 275 K CA -0.515 55.744 56.287 -0.046 0.000 0.920 275 K CB 1.824 34.302 32.500 -0.036 0.000 1.149 275 K HN 0.521 nan 8.250 nan 0.000 0.444 276 V N 1.485 121.364 119.914 -0.057 0.000 2.584 276 V HA 0.257 4.376 4.120 -0.001 0.000 0.319 276 V C 0.759 176.819 176.094 -0.057 0.000 1.363 276 V CA -0.290 61.971 62.300 -0.065 0.000 1.518 276 V CB -0.422 31.363 31.823 -0.062 0.000 1.514 276 V HN 0.667 nan 8.190 nan 0.000 0.553 277 R N -0.166 120.302 120.500 -0.053 0.000 2.056 277 R HA 0.185 4.525 4.340 -0.001 0.000 0.215 277 R C 1.614 177.884 176.300 -0.050 0.000 1.205 277 R CA 0.480 56.553 56.100 -0.045 0.000 1.020 277 R CB -0.242 30.037 30.300 -0.035 0.000 0.911 277 R HN 0.486 nan 8.270 nan 0.000 0.451 278 Q N 1.320 121.089 119.800 -0.053 0.000 2.561 278 Q HA -0.023 4.317 4.340 -0.001 0.000 0.217 278 Q C 1.810 177.765 176.000 -0.075 0.000 0.980 278 Q CA 0.801 56.570 55.803 -0.056 0.000 0.927 278 Q CB 0.015 28.722 28.738 -0.052 0.000 0.980 278 Q HN 0.434 nan 8.270 nan 0.000 0.525 279 L N -0.471 120.700 121.223 -0.087 0.000 2.253 279 L HA -0.013 4.326 4.340 -0.001 0.000 0.205 279 L C 1.787 178.603 176.870 -0.090 0.000 1.078 279 L CA 0.587 55.358 54.840 -0.116 0.000 0.805 279 L CB -0.146 41.831 42.059 -0.136 0.000 0.963 279 L HN 0.057 nan 8.230 nan 0.000 0.459 280 S N -0.125 115.536 115.700 -0.066 0.000 2.547 280 S HA -0.144 4.326 4.470 -0.001 0.000 0.235 280 S C 1.708 176.284 174.600 -0.041 0.000 0.980 280 S CA 0.747 58.918 58.200 -0.048 0.000 0.941 280 S CB -0.109 63.069 63.200 -0.036 0.000 0.763 280 S HN 0.195 nan 8.310 nan 0.000 0.532 281 K N 1.744 122.116 120.400 -0.047 0.000 2.057 281 K HA 0.061 4.381 4.320 -0.001 0.000 0.207 281 K C 1.447 178.026 176.600 -0.035 0.000 1.049 281 K CA 1.102 57.366 56.287 -0.039 0.000 0.931 281 K CB -0.374 32.100 32.500 -0.043 0.000 0.714 281 K HN 0.258 nan 8.250 nan 0.000 0.440 282 L N 0.171 121.367 121.223 -0.046 0.000 2.418 282 L HA 0.109 4.448 4.340 -0.001 0.000 0.218 282 L C 1.355 178.211 176.870 -0.024 0.000 1.125 282 L CA 0.628 55.447 54.840 -0.035 0.000 0.835 282 L CB -0.087 41.943 42.059 -0.048 0.000 0.953 282 L HN 0.079 nan 8.230 nan 0.000 0.454 283 L N -0.495 120.711 121.223 -0.029 0.000 2.645 283 L HA 0.046 4.385 4.340 -0.001 0.000 0.235 283 L C 0.641 177.504 176.870 -0.012 0.000 1.150 283 L CA 0.003 54.832 54.840 -0.018 0.000 0.911 283 L CB -0.461 41.585 42.059 -0.023 0.000 1.077 283 L HN 0.127 nan 8.230 nan 0.000 0.438 284 R N 0.875 121.368 120.500 -0.013 0.000 2.340 284 R HA 0.459 4.798 4.340 -0.001 0.000 0.300 284 R C 0.366 176.664 176.300 -0.004 0.000 1.069 284 R CA 0.337 56.432 56.100 -0.009 0.000 0.984 284 R CB 0.860 31.153 30.300 -0.010 0.000 1.003 284 R HN 0.200 nan 8.270 nan 0.000 0.459 285 G N 1.598 110.397 108.800 -0.002 0.000 3.039 285 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.686 285 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.686 285 G C -0.128 174.774 174.900 0.003 0.000 1.066 285 G CA -0.546 44.554 45.100 0.001 0.000 0.774 285 G HN 0.637 nan 8.290 nan 0.000 0.591 286 T N 0.050 114.606 114.554 0.004 0.000 2.825 286 T HA 0.489 4.839 4.350 -0.001 0.000 0.270 286 T C 0.495 175.199 174.700 0.007 0.000 0.919 286 T CA 0.279 62.382 62.100 0.006 0.000 1.159 286 T CB 0.386 69.257 68.868 0.006 0.000 0.889 286 T HN 0.685 nan 8.240 nan 0.000 0.565 287 K N 1.754 122.159 120.400 0.008 0.000 2.258 287 K HA 0.744 5.063 4.320 -0.001 0.000 0.236 287 K C 0.385 176.992 176.600 0.012 0.000 1.008 287 K CA -1.150 55.144 56.287 0.010 0.000 0.869 287 K CB 1.706 34.214 32.500 0.012 0.000 1.171 287 K HN 0.646 nan 8.250 nan 0.000 0.447 288 A N 1.101 123.929 122.820 0.013 0.000 2.386 288 A HA 0.153 4.472 4.320 -0.001 0.000 0.246 288 A C 0.961 178.555 177.584 0.018 0.000 1.089 288 A CA -0.082 51.963 52.037 0.014 0.000 0.790 288 A CB -0.047 18.961 19.000 0.013 0.000 1.042 288 A HN 0.765 nan 8.150 nan 0.000 0.497 289 L N 0.012 121.246 121.223 0.018 0.000 2.270 289 L HA -0.012 4.327 4.340 -0.001 0.000 0.210 289 L C 1.074 177.960 176.870 0.027 0.000 1.104 289 L CA 0.965 55.819 54.840 0.023 0.000 0.804 289 L CB -0.184 41.887 42.059 0.021 0.000 0.937 289 L HN 0.717 nan 8.230 nan 0.000 0.450 290 T N 0.551 115.118 114.554 0.022 0.000 3.591 290 T HA 0.113 4.463 4.350 -0.001 0.000 0.232 290 T C 0.016 174.730 174.700 0.023 0.000 1.116 290 T CA 0.077 62.190 62.100 0.022 0.000 1.063 290 T CB -0.373 68.504 68.868 0.015 0.000 1.227 290 T HN 0.153 nan 8.240 nan 0.000 0.685 291 E N 1.668 121.886 120.200 0.030 0.000 2.235 291 E HA 0.358 4.707 4.350 -0.001 0.000 0.252 291 E C -0.699 175.927 176.600 0.044 0.000 0.886 291 E CA -0.595 55.823 56.400 0.030 0.000 0.767 291 E CB 0.974 30.689 29.700 0.026 0.000 1.205 291 E HN 0.071 nan 8.360 nan 0.000 0.421 292 V N 6.512 126.452 119.914 0.044 0.000 2.529 292 V HA 0.084 4.203 4.120 -0.001 0.000 0.292 292 V C 0.509 176.642 176.094 0.065 0.000 1.028 292 V CA 0.221 62.558 62.300 0.062 0.000 1.074 292 V CB 0.005 31.855 31.823 0.046 0.000 0.958 292 V HN 0.571 nan 8.190 nan 0.000 0.481 293 I N 4.282 124.906 120.570 0.091 0.000 2.495 293 I HA 0.463 4.632 4.170 -0.001 0.000 0.277 293 I C -2.420 173.755 176.117 0.096 0.000 1.045 293 I CA -2.243 59.100 61.300 0.070 0.000 1.135 293 I CB 1.670 39.697 38.000 0.045 0.000 1.241 293 I HN 0.381 nan 8.210 nan 0.000 0.469 294 P HA 0.047 nan 4.420 nan 0.000 0.262 294 P C -0.036 177.308 177.300 0.073 0.000 1.182 294 P CA 0.119 63.281 63.100 0.103 0.000 0.761 294 P CB 0.974 32.715 31.700 0.067 0.000 0.795 295 L N 2.842 124.121 121.223 0.093 0.000 2.559 295 L HA 0.006 4.345 4.340 -0.001 0.000 0.282 295 L C 1.868 178.737 176.870 -0.003 0.000 1.232 295 L CA 0.219 55.059 54.840 0.001 0.000 0.885 295 L CB -0.313 41.738 42.059 -0.014 0.000 1.131 295 L HN 0.526 nan 8.230 nan 0.000 0.498 296 T N -1.215 113.321 114.554 -0.031 0.000 2.726 296 T HA 0.035 4.385 4.350 -0.001 0.000 0.294 296 T C 0.887 175.576 174.700 -0.019 0.000 1.013 296 T CA -0.390 61.698 62.100 -0.021 0.000 0.996 296 T CB 1.260 70.111 68.868 -0.029 0.000 1.016 296 T HN 0.737 nan 8.240 nan 0.000 0.529 297 E N -0.214 119.979 120.200 -0.013 0.000 2.051 297 E HA -0.123 4.227 4.350 -0.001 0.000 0.189 297 E C 1.997 178.587 176.600 -0.017 0.000 0.979 297 E CA 0.871 57.265 56.400 -0.010 0.000 0.803 297 E CB -0.052 29.645 29.700 -0.006 0.000 0.761 297 E HN 0.883 nan 8.360 nan 0.000 0.451 298 E N -0.209 119.978 120.200 -0.021 0.000 2.427 298 E HA -0.094 4.255 4.350 -0.001 0.000 0.196 298 E C 1.556 178.134 176.600 -0.036 0.000 1.028 298 E CA 0.581 56.966 56.400 -0.025 0.000 0.864 298 E CB 0.113 29.799 29.700 -0.024 0.000 0.813 298 E HN 0.283 nan 8.360 nan 0.000 0.514 299 A N 1.722 124.515 122.820 -0.045 0.000 1.832 299 A HA -0.138 4.182 4.320 -0.001 0.000 0.214 299 A C 1.830 179.365 177.584 -0.081 0.000 1.204 299 A CA 1.202 53.197 52.037 -0.070 0.000 0.606 299 A CB -0.488 18.462 19.000 -0.083 0.000 0.849 299 A HN 0.301 nan 8.150 nan 0.000 0.445 300 E N -0.055 120.105 120.200 -0.067 0.000 2.501 300 E HA -0.139 4.210 4.350 -0.001 0.000 0.203 300 E C 1.603 178.175 176.600 -0.046 0.000 1.072 300 E CA 0.522 56.886 56.400 -0.060 0.000 0.885 300 E CB -0.379 29.308 29.700 -0.021 0.000 0.813 300 E HN 0.559 nan 8.360 nan 0.000 0.556 301 L N 1.365 122.562 121.223 -0.044 0.000 1.955 301 L HA -0.235 4.104 4.340 -0.001 0.000 0.213 301 L C 2.120 178.964 176.870 -0.044 0.000 1.072 301 L CA 1.977 56.796 54.840 -0.035 0.000 0.755 301 L CB -0.283 41.756 42.059 -0.033 0.000 0.888 301 L HN -0.131 nan 8.230 nan 0.000 0.432 302 E N -0.359 119.805 120.200 -0.061 0.000 2.160 302 E HA -0.218 4.131 4.350 -0.001 0.000 0.195 302 E C 2.010 178.560 176.600 -0.084 0.000 0.991 302 E CA 1.339 57.695 56.400 -0.074 0.000 0.810 302 E CB -0.667 28.979 29.700 -0.090 0.000 0.742 302 E HN 0.449 nan 8.360 nan 0.000 0.466 303 L N 0.155 121.323 121.223 -0.092 0.000 1.951 303 L HA -0.242 4.098 4.340 -0.001 0.000 0.222 303 L C 2.072 178.913 176.870 -0.048 0.000 1.078 303 L CA 2.678 57.467 54.840 -0.086 0.000 0.778 303 L CB -0.997 41.025 42.059 -0.062 0.000 0.893 303 L HN 0.153 nan 8.230 nan 0.000 0.436 304 A N -1.934 120.869 122.820 -0.028 0.000 1.984 304 A HA -0.083 4.236 4.320 -0.001 0.000 0.214 304 A C 2.147 179.717 177.584 -0.023 0.000 1.173 304 A CA 1.000 53.027 52.037 -0.017 0.000 0.673 304 A CB -0.508 18.491 19.000 -0.003 0.000 0.830 304 A HN 0.494 nan 8.150 nan 0.000 0.453 305 E N 0.984 121.168 120.200 -0.027 0.000 2.160 305 E HA -0.169 4.180 4.350 -0.001 0.000 0.195 305 E C 1.545 178.127 176.600 -0.029 0.000 0.991 305 E CA 1.674 58.060 56.400 -0.022 0.000 0.810 305 E CB -0.160 29.526 29.700 -0.023 0.000 0.742 305 E HN 0.555 nan 8.360 nan 0.000 0.466 306 N N -0.388 118.284 118.700 -0.048 0.000 2.387 306 N HA 0.047 4.786 4.740 -0.001 0.000 0.176 306 N C 1.447 176.907 175.510 -0.083 0.000 1.022 306 N CA 0.478 53.488 53.050 -0.068 0.000 0.883 306 N CB -0.114 38.320 38.487 -0.087 0.000 1.019 306 N HN 0.099 nan 8.380 nan 0.000 0.435 307 R N 1.078 121.537 120.500 -0.068 0.000 2.211 307 R HA -0.126 4.213 4.340 -0.001 0.000 0.240 307 R C 1.778 178.046 176.300 -0.054 0.000 1.144 307 R CA 0.939 57.000 56.100 -0.066 0.000 0.992 307 R CB 0.012 30.292 30.300 -0.034 0.000 0.869 307 R HN 0.473 nan 8.270 nan 0.000 0.462 308 E N 1.037 121.216 120.200 -0.034 0.000 2.033 308 E HA -0.123 4.226 4.350 -0.001 0.000 0.189 308 E C 1.784 178.387 176.600 0.004 0.000 0.979 308 E CA 0.719 57.115 56.400 -0.007 0.000 0.802 308 E CB 0.027 29.730 29.700 0.006 0.000 0.763 308 E HN 0.263 nan 8.360 nan 0.000 0.449 309 I N 1.272 121.842 120.570 -0.001 0.000 2.700 309 I HA -0.208 3.961 4.170 -0.001 0.000 0.261 309 I C 1.636 177.746 176.117 -0.011 0.000 1.219 309 I CA 0.698 62.030 61.300 0.054 0.000 1.463 309 I CB 0.004 38.042 38.000 0.063 0.000 1.092 309 I HN 0.222 nan 8.210 nan 0.000 0.452 310 L N -0.216 120.920 121.223 -0.145 0.000 2.667 310 L HA 0.106 4.446 4.340 -0.001 0.000 0.232 310 L C 1.898 178.701 176.870 -0.112 0.000 1.138 310 L CA 0.156 54.828 54.840 -0.280 0.000 0.921 310 L CB -0.119 41.745 42.059 -0.325 0.000 1.180 310 L HN 0.112 nan 8.230 nan 0.000 0.487 311 K N 0.324 120.705 120.400 -0.031 0.000 2.214 311 K HA 0.136 4.456 4.320 -0.001 0.000 0.201 311 K C 0.164 176.786 176.600 0.037 0.000 1.049 311 K CA 0.377 56.667 56.287 0.005 0.000 0.978 311 K CB 0.511 33.019 32.500 0.012 0.000 0.842 311 K HN 0.229 nan 8.250 nan 0.000 0.474 312 E N 2.371 122.608 120.200 0.062 0.000 2.134 312 E HA 0.181 4.530 4.350 -0.001 0.000 0.278 312 E C -2.475 174.159 176.600 0.056 0.000 0.959 312 E CA -2.308 54.138 56.400 0.077 0.000 0.783 312 E CB 1.319 31.103 29.700 0.139 0.000 1.095 312 E HN -0.001 nan 8.360 nan 0.000 0.399 313 P HA -0.070 nan 4.420 nan 0.000 0.280 313 P C -0.368 176.671 177.300 -0.434 0.000 1.278 313 P CA -0.540 62.530 63.100 -0.051 0.000 0.787 313 P CB 0.203 31.889 31.700 -0.024 0.000 1.163 314 V N -1.899 117.767 119.914 -0.412 0.000 2.625 314 V HA -0.024 4.096 4.120 -0.001 0.000 0.305 314 V C -0.012 175.809 176.094 -0.454 0.000 1.055 314 V CA 0.513 62.499 62.300 -0.523 0.000 1.209 314 V CB -1.057 30.567 31.823 -0.332 0.000 0.877 314 V HN 0.395 nan 8.190 nan 0.000 0.489 315 H N 4.619 123.597 119.070 -0.154 0.000 2.725 315 H HA 0.584 5.140 4.556 -0.001 0.000 0.283 315 H C 0.979 176.282 175.328 -0.041 0.000 1.110 315 H CA -0.060 55.941 56.048 -0.079 0.000 1.289 315 H CB 1.033 30.772 29.762 -0.038 0.000 1.400 315 H HN 1.248 nan 8.280 nan 0.000 0.493 316 G N 2.362 111.195 108.800 0.056 0.000 2.165 316 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.144 316 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.144 316 G C -0.570 174.363 174.900 0.056 0.000 1.049 316 G CA -0.398 44.803 45.100 0.169 0.000 0.741 316 G HN 0.394 nan 8.290 nan 0.000 0.493 317 V N 1.402 121.179 119.914 -0.229 0.000 2.294 317 V HA 0.600 4.719 4.120 -0.001 0.000 0.272 317 V C -0.617 175.271 176.094 -0.343 0.000 1.027 317 V CA -0.729 61.477 62.300 -0.157 0.000 0.823 317 V CB 0.159 31.926 31.823 -0.093 0.000 1.030 317 V HN 0.274 nan 8.190 nan 0.000 0.457 318 Y N 3.631 123.996 120.300 0.107 0.000 2.326 318 Y HA 0.431 4.980 4.550 -0.001 0.000 0.331 318 Y C 0.032 176.032 175.900 0.166 0.000 0.962 318 Y CA -1.132 57.056 58.100 0.146 0.000 1.167 318 Y CB 1.238 39.761 38.460 0.104 0.000 1.148 318 Y HN 0.690 nan 8.280 nan 0.000 0.463 319 Y N 3.157 123.591 120.300 0.223 0.000 2.890 319 Y HA 0.035 4.585 4.550 -0.001 0.000 0.341 319 Y C -0.157 175.808 175.900 0.108 0.000 1.269 319 Y CA 0.532 58.727 58.100 0.159 0.000 1.517 319 Y CB 0.538 39.189 38.460 0.318 0.000 1.314 319 Y HN 0.610 nan 8.280 nan 0.000 0.622 320 D N 6.919 126.746 120.400 -0.954 0.000 2.629 320 D HA 0.255 4.894 4.640 -0.001 0.000 0.250 320 D C -2.284 173.351 176.300 -1.108 0.000 1.126 320 D CA -2.364 51.200 54.000 -0.727 0.000 0.852 320 D CB 2.214 42.794 40.800 -0.367 0.000 1.335 320 D HN 0.390 nan 8.370 nan 0.000 0.518 321 P HA -0.008 nan 4.420 nan 0.000 0.245 321 P C 0.801 178.013 177.300 -0.146 0.000 1.206 321 P CA 0.309 63.277 63.100 -0.220 0.000 0.781 321 P CB 0.390 32.159 31.700 0.115 0.000 0.994 322 S N -1.239 114.354 115.700 -0.179 0.000 2.470 322 S HA 0.121 4.590 4.470 -0.001 0.000 0.222 322 S C 0.906 175.417 174.600 -0.147 0.000 1.024 322 S CA -0.047 58.078 58.200 -0.124 0.000 0.931 322 S CB -0.374 62.765 63.200 -0.101 0.000 0.791 322 S HN 0.087 nan 8.310 nan 0.000 0.513 323 K N 2.778 123.049 120.400 -0.214 0.000 2.138 323 K HA 0.366 4.685 4.320 -0.001 0.000 0.263 323 K C -1.023 175.430 176.600 -0.244 0.000 0.965 323 K CA -0.776 55.384 56.287 -0.212 0.000 0.868 323 K CB 0.883 33.245 32.500 -0.229 0.000 1.083 323 K HN 0.349 nan 8.250 nan 0.000 0.443 324 D N 1.976 122.256 120.400 -0.201 0.000 2.387 324 D HA 0.169 4.808 4.640 -0.001 0.000 0.251 324 D C -0.151 175.984 176.300 -0.275 0.000 1.141 324 D CA -0.515 53.364 54.000 -0.200 0.000 0.987 324 D CB 0.628 41.343 40.800 -0.142 0.000 1.116 324 D HN 0.248 nan 8.370 nan 0.000 0.491 325 L N -0.053 120.996 121.223 -0.290 0.000 2.292 325 L HA 0.371 4.711 4.340 -0.001 0.000 0.284 325 L C 0.130 176.783 176.870 -0.361 0.000 1.065 325 L CA -0.658 53.960 54.840 -0.371 0.000 0.806 325 L CB 0.747 42.547 42.059 -0.432 0.000 1.175 325 L HN 0.212 nan 8.230 nan 0.000 0.431 326 I N 2.675 122.999 120.570 -0.409 0.000 2.412 326 I HA 0.574 4.743 4.170 -0.001 0.000 0.296 326 I C 0.002 176.028 176.117 -0.151 0.000 0.987 326 I CA -0.463 60.638 61.300 -0.331 0.000 1.180 326 I CB 1.878 39.579 38.000 -0.497 0.000 1.340 326 I HN 0.625 nan 8.210 nan 0.000 0.455 327 A N 5.944 128.656 122.820 -0.180 0.000 2.332 327 A HA 0.584 4.904 4.320 -0.001 0.000 0.300 327 A C -0.692 176.919 177.584 0.046 0.000 1.153 327 A CA -0.556 51.405 52.037 -0.127 0.000 0.764 327 A CB 0.740 19.384 19.000 -0.593 0.000 1.174 327 A HN 0.738 nan 8.150 nan 0.000 0.467 328 E N 1.977 122.254 120.200 0.128 0.000 2.179 328 E HA 0.597 4.946 4.350 -0.001 0.000 0.275 328 E C -1.061 175.615 176.600 0.127 0.000 0.945 328 E CA -0.416 56.055 56.400 0.118 0.000 0.792 328 E CB 2.116 31.861 29.700 0.075 0.000 1.125 328 E HN 0.640 nan 8.360 nan 0.000 0.397 329 I N 2.805 123.473 120.570 0.162 0.000 2.569 329 I HA 0.206 4.375 4.170 -0.001 0.000 0.296 329 I C -0.422 175.834 176.117 0.230 0.000 1.028 329 I CA -0.957 60.473 61.300 0.217 0.000 1.082 329 I CB 1.712 39.844 38.000 0.220 0.000 1.264 329 I HN 0.332 nan 8.210 nan 0.000 0.429 330 Q N 5.416 125.361 119.800 0.242 0.000 2.337 330 Q HA 0.396 4.736 4.340 -0.001 0.000 0.270 330 Q C -1.028 175.057 176.000 0.141 0.000 1.043 330 Q CA -1.015 54.899 55.803 0.185 0.000 0.794 330 Q CB 2.655 31.433 28.738 0.068 0.000 1.281 330 Q HN 0.524 nan 8.270 nan 0.000 0.446 331 K N 1.704 122.060 120.400 -0.074 0.000 2.416 331 K HA -0.053 4.266 4.320 -0.001 0.000 0.283 331 K C 0.155 176.438 176.600 -0.527 0.000 1.037 331 K CA 0.330 56.080 56.287 -0.895 0.000 0.995 331 K CB 0.679 32.731 32.500 -0.747 0.000 0.938 331 K HN 0.593 nan 8.250 nan 0.000 0.475 332 Q N 2.391 121.814 119.800 -0.629 0.000 2.317 332 Q HA 0.209 4.549 4.340 -0.001 0.000 0.220 332 Q C -0.488 175.297 176.000 -0.358 0.000 0.873 332 Q CA 0.750 56.349 55.803 -0.340 0.000 0.936 332 Q CB 0.941 29.574 28.738 -0.175 0.000 1.105 332 Q HN 0.969 nan 8.270 nan 0.000 0.520 333 G N 0.925 109.452 108.800 -0.455 0.000 3.039 333 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.686 333 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.686 333 G C -0.708 174.057 174.900 -0.225 0.000 1.066 333 G CA -0.252 44.665 45.100 -0.306 0.000 0.774 333 G HN 0.222 nan 8.290 nan 0.000 0.591 334 Q N -0.837 118.870 119.800 -0.155 0.000 2.493 334 Q HA -0.092 4.247 4.340 -0.001 0.000 0.278 334 Q C 1.617 177.595 176.000 -0.037 0.000 1.198 334 Q CA 2.111 57.866 55.803 -0.080 0.000 0.880 334 Q CB -1.583 27.111 28.738 -0.073 0.000 1.260 334 Q HN 2.920 nan 8.270 nan 0.000 0.470 335 G N -0.685 108.111 108.800 -0.007 0.000 2.162 335 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.260 335 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.260 335 G C -0.046 174.953 174.900 0.165 0.000 0.976 335 G CA 0.391 45.588 45.100 0.161 0.000 0.655 335 G HN 0.277 nan 8.290 nan 0.000 0.533 336 Q N -0.755 118.998 119.800 -0.078 0.000 2.296 336 Q HA 0.525 4.865 4.340 -0.001 0.000 0.257 336 Q C -0.777 175.100 176.000 -0.205 0.000 0.942 336 Q CA 0.047 55.817 55.803 -0.056 0.000 0.939 336 Q CB 0.833 29.511 28.738 -0.101 0.000 1.198 336 Q HN 0.468 nan 8.270 nan 0.000 0.429 337 W N 1.345 122.722 121.300 0.129 0.000 2.884 337 W HA 0.239 4.898 4.660 -0.001 0.000 0.336 337 W C 0.092 176.724 176.519 0.188 0.000 1.038 337 W CA -0.553 56.883 57.345 0.152 0.000 1.247 337 W CB 1.469 31.047 29.460 0.196 0.000 1.351 337 W HN 0.436 nan 8.180 nan 0.000 0.446 338 T N -0.080 114.671 114.554 0.328 0.000 2.936 338 T HA 0.860 5.209 4.350 -0.001 0.000 0.282 338 T C -0.943 173.907 174.700 0.249 0.000 1.003 338 T CA -0.539 61.703 62.100 0.237 0.000 1.005 338 T CB 1.907 70.800 68.868 0.042 0.000 1.097 338 T HN 0.550 nan 8.240 nan 0.000 0.532 339 Y N -1.525 118.692 120.300 -0.139 0.000 2.620 339 Y HA 0.660 5.210 4.550 -0.001 0.000 0.331 339 Y C -2.047 173.696 175.900 -0.261 0.000 1.173 339 Y CA -1.438 56.558 58.100 -0.174 0.000 1.076 339 Y CB 1.119 39.575 38.460 -0.006 0.000 1.336 339 Y HN 0.640 nan 8.280 nan 0.000 0.459 340 Q N 3.047 122.641 119.800 -0.343 0.000 2.347 340 Q HA 0.671 5.011 4.340 -0.001 0.000 0.271 340 Q C -1.390 174.597 176.000 -0.022 0.000 1.064 340 Q CA -0.608 54.997 55.803 -0.330 0.000 0.800 340 Q CB 3.201 31.681 28.738 -0.429 0.000 1.304 340 Q HN 0.742 nan 8.270 nan 0.000 0.438 341 I N 3.620 124.230 120.570 0.068 0.000 2.377 341 I HA 0.637 4.807 4.170 -0.001 0.000 0.293 341 I C -0.637 175.642 176.117 0.270 0.000 0.987 341 I CA -0.865 60.530 61.300 0.159 0.000 1.185 341 I CB 0.731 38.797 38.000 0.110 0.000 1.341 341 I HN 0.766 nan 8.210 nan 0.000 0.455 342 Y N 3.112 123.350 120.300 -0.105 0.000 2.955 342 Y HA 0.439 4.988 4.550 -0.001 0.000 0.330 342 Y C -0.563 175.262 175.900 -0.124 0.000 1.480 342 Y CA -0.774 57.281 58.100 -0.075 0.000 1.096 342 Y CB 1.231 39.697 38.460 0.011 0.000 1.828 342 Y HN 0.394 nan 8.280 nan 0.000 0.428 343 Q N -0.858 118.740 119.800 -0.336 0.000 2.497 343 Q HA 0.194 4.534 4.340 -0.001 0.000 0.201 343 Q C -0.844 174.972 176.000 -0.307 0.000 0.724 343 Q CA -0.222 55.316 55.803 -0.442 0.000 0.923 343 Q CB 0.907 29.480 28.738 -0.276 0.000 1.302 343 Q HN 0.452 nan 8.270 nan 0.000 0.484 344 E N 3.187 123.358 120.200 -0.048 0.000 2.081 344 E HA 0.225 4.574 4.350 -0.001 0.000 0.281 344 E C -2.490 174.233 176.600 0.205 0.000 0.986 344 E CA -2.105 54.311 56.400 0.026 0.000 0.796 344 E CB 1.122 30.838 29.700 0.027 0.000 1.085 344 E HN 0.126 nan 8.360 nan 0.000 0.398 345 P HA -0.155 nan 4.420 nan 0.000 0.257 345 P C -0.082 177.231 177.300 0.021 0.000 1.144 345 P CA 0.919 64.100 63.100 0.135 0.000 0.761 345 P CB -0.193 31.399 31.700 -0.180 0.000 0.734 346 F N -0.078 119.929 119.950 0.095 0.000 2.667 346 F HA -0.179 4.347 4.527 -0.001 0.000 0.283 346 F C 0.479 176.286 175.800 0.012 0.000 0.718 346 F CA 0.147 58.153 58.000 0.010 0.000 1.580 346 F CB -1.446 37.529 39.000 -0.042 0.000 1.831 346 F HN 0.364 nan 8.300 nan 0.000 0.364 347 K N 1.458 122.016 120.400 0.263 0.000 2.814 347 K HA 0.252 4.571 4.320 -0.001 0.000 0.205 347 K C -0.459 176.263 176.600 0.203 0.000 1.093 347 K CA -0.479 55.906 56.287 0.164 0.000 1.035 347 K CB 0.894 33.475 32.500 0.134 0.000 1.220 347 K HN 0.010 nan 8.250 nan 0.000 0.576 348 N N 2.268 121.069 118.700 0.169 0.000 2.503 348 N HA 0.190 4.929 4.740 -0.001 0.000 0.267 348 N C 0.851 176.466 175.510 0.174 0.000 1.214 348 N CA -0.049 53.115 53.050 0.189 0.000 0.959 348 N CB 1.517 40.107 38.487 0.171 0.000 1.142 348 N HN 0.332 nan 8.380 nan 0.000 0.455 349 L N -0.115 121.242 121.223 0.225 0.000 2.470 349 L HA 0.237 4.577 4.340 -0.001 0.000 0.219 349 L C 0.789 177.860 176.870 0.334 0.000 1.071 349 L CA 0.513 55.551 54.840 0.330 0.000 0.850 349 L CB 0.194 42.535 42.059 0.470 0.000 1.040 349 L HN 0.519 nan 8.230 nan 0.000 0.475 350 K N -0.047 120.507 120.400 0.257 0.000 2.575 350 K HA 0.400 4.720 4.320 -0.001 0.000 0.279 350 K C -1.330 175.257 176.600 -0.022 0.000 0.969 350 K CA -0.433 55.950 56.287 0.160 0.000 0.868 350 K CB 2.301 34.947 32.500 0.243 0.000 1.457 350 K HN -0.054 nan 8.250 nan 0.000 0.426 351 T N -0.951 113.527 114.554 -0.128 0.000 2.900 351 T HA 0.877 5.227 4.350 -0.001 0.000 0.303 351 T C -0.178 174.253 174.700 -0.447 0.000 1.142 351 T CA -0.246 61.636 62.100 -0.362 0.000 1.007 351 T CB 1.947 70.777 68.868 -0.063 0.000 1.156 351 T HN 0.817 nan 8.240 nan 0.000 0.490 352 G N 0.811 109.173 108.800 -0.729 0.000 2.494 352 G HA2 0.662 4.621 3.960 -0.001 0.000 0.308 352 G HA3 0.662 4.621 3.960 -0.001 0.000 0.308 352 G C -2.162 172.856 174.900 0.198 0.000 1.263 352 G CA -1.103 43.903 45.100 -0.157 0.000 0.840 352 G HN 0.821 nan 8.290 nan 0.000 0.479 353 K N -0.646 120.019 120.400 0.441 0.000 2.523 353 K HA 0.456 4.776 4.320 -0.001 0.000 0.257 353 K C -1.970 174.854 176.600 0.373 0.000 0.932 353 K CA -0.707 55.815 56.287 0.391 0.000 0.812 353 K CB 3.025 35.670 32.500 0.242 0.000 1.326 353 K HN 0.534 nan 8.250 nan 0.000 0.433 354 Y N 1.025 121.468 120.300 0.239 0.000 2.534 354 Y HA 0.731 5.280 4.550 -0.001 0.000 0.329 354 Y C -1.299 174.716 175.900 0.192 0.000 1.154 354 Y CA -0.642 57.542 58.100 0.141 0.000 1.192 354 Y CB 1.842 40.328 38.460 0.043 0.000 1.275 354 Y HN 0.709 nan 8.280 nan 0.000 0.491 355 A N 4.791 127.097 122.820 -0.857 0.000 2.520 355 A HA 0.560 4.879 4.320 -0.001 0.000 0.298 355 A C -1.577 175.691 177.584 -0.527 0.000 1.051 355 A CA -1.022 50.744 52.037 -0.452 0.000 0.690 355 A CB 1.450 20.321 19.000 -0.216 0.000 1.281 355 A HN 0.685 nan 8.150 nan 0.000 0.402 356 R N 3.427 123.835 120.500 -0.152 0.000 2.234 356 R HA 0.495 4.835 4.340 -0.001 0.000 0.324 356 R C -0.234 176.028 176.300 -0.064 0.000 1.054 356 R CA -0.161 55.908 56.100 -0.053 0.000 0.912 356 R CB 0.919 31.254 30.300 0.059 0.000 1.030 356 R HN 1.022 nan 8.270 nan 0.000 0.455 357 M N 3.623 123.184 119.600 -0.064 0.000 2.227 357 M HA 0.213 4.693 4.480 -0.001 0.000 0.226 357 M C 0.111 176.392 176.300 -0.030 0.000 1.423 357 M CA 0.291 55.562 55.300 -0.048 0.000 1.055 357 M CB 0.805 33.369 32.600 -0.061 0.000 1.572 357 M HN 0.489 nan 8.290 nan 0.000 0.567 358 R N 1.153 121.636 120.500 -0.028 0.000 2.886 358 R HA 0.465 4.804 4.340 -0.001 0.000 0.306 358 R C -1.283 174.992 176.300 -0.040 0.000 1.300 358 R CA -0.028 56.054 56.100 -0.031 0.000 1.441 358 R CB 1.015 31.300 30.300 -0.025 0.000 1.328 358 R HN 0.364 nan 8.270 nan 0.000 0.629 359 G N -0.511 108.265 108.800 -0.041 0.000 2.659 359 G HA2 0.465 4.424 3.960 -0.001 0.000 0.291 359 G HA3 0.465 4.424 3.960 -0.001 0.000 0.291 359 G C -0.427 174.449 174.900 -0.040 0.000 1.379 359 G CA -0.257 44.808 45.100 -0.058 0.000 1.254 359 G HN 0.228 nan 8.290 nan 0.000 0.590 360 A N 1.464 124.226 122.820 -0.096 0.000 2.423 360 A HA 0.383 4.702 4.320 -0.001 0.000 0.246 360 A C 0.819 178.514 177.584 0.186 0.000 1.278 360 A CA 0.169 52.211 52.037 0.009 0.000 0.903 360 A CB -0.190 18.806 19.000 -0.007 0.000 0.997 360 A HN 0.797 nan 8.150 nan 0.000 0.510 361 H N -1.188 117.890 119.070 0.014 0.000 2.893 361 H HA 0.113 4.669 4.556 -0.001 0.000 0.270 361 H C -0.277 175.065 175.328 0.023 0.000 1.095 361 H CA -0.226 55.833 56.048 0.017 0.000 1.186 361 H CB 0.732 30.508 29.762 0.023 0.000 1.562 361 H HN 0.258 nan 8.280 nan 0.000 0.536 362 T N 2.747 117.376 114.554 0.124 0.000 2.752 362 T HA 0.041 4.390 4.350 -0.001 0.000 0.295 362 T C 0.371 175.095 174.700 0.040 0.000 0.923 362 T CA -0.437 61.701 62.100 0.064 0.000 1.112 362 T CB 0.100 69.003 68.868 0.059 0.000 0.884 362 T HN 0.523 nan 8.240 nan 0.000 0.525 363 N N 1.943 120.630 118.700 -0.023 0.000 2.525 363 N HA 0.377 5.116 4.740 -0.001 0.000 0.288 363 N C 0.434 175.930 175.510 -0.024 0.000 1.242 363 N CA -0.906 52.129 53.050 -0.025 0.000 0.905 363 N CB 0.761 39.207 38.487 -0.068 0.000 1.258 363 N HN 0.101 nan 8.380 nan 0.000 0.551 364 D N -0.002 120.436 120.400 0.064 0.000 2.242 364 D HA -0.206 4.434 4.640 -0.001 0.000 0.193 364 D C 1.841 178.134 176.300 -0.011 0.000 1.005 364 D CA 1.667 55.782 54.000 0.192 0.000 0.856 364 D CB -0.727 40.219 40.800 0.242 0.000 1.001 364 D HN 0.315 nan 8.370 nan 0.000 0.452 365 V N 1.476 121.333 119.914 -0.094 0.000 2.236 365 V HA -0.346 3.774 4.120 -0.001 0.000 0.255 365 V C 2.565 178.374 176.094 -0.476 0.000 1.068 365 V CA 2.464 64.638 62.300 -0.211 0.000 1.044 365 V CB -0.636 31.068 31.823 -0.197 0.000 0.653 365 V HN 0.288 nan 8.190 nan 0.000 0.448 366 K N -0.666 119.209 120.400 -0.875 0.000 2.034 366 K HA -0.313 4.006 4.320 -0.001 0.000 0.214 366 K C 2.254 178.574 176.600 -0.466 0.000 1.051 366 K CA 2.360 57.969 56.287 -1.129 0.000 0.931 366 K CB -0.220 31.682 32.500 -0.997 0.000 0.715 366 K HN 0.591 nan 8.250 nan 0.000 0.446 367 Q N 0.390 120.013 119.800 -0.295 0.000 1.956 367 Q HA -0.211 4.129 4.340 -0.001 0.000 0.208 367 Q C 2.210 177.881 176.000 -0.549 0.000 0.998 367 Q CA 1.934 57.601 55.803 -0.226 0.000 0.855 367 Q CB -0.313 28.393 28.738 -0.053 0.000 0.928 367 Q HN 0.238 nan 8.270 nan 0.000 0.418 368 L N 0.450 121.266 121.223 -0.678 0.000 2.034 368 L HA -0.287 4.052 4.340 -0.001 0.000 0.217 368 L C 2.243 178.969 176.870 -0.240 0.000 1.077 368 L CA 2.219 56.696 54.840 -0.606 0.000 0.769 368 L CB -0.935 40.953 42.059 -0.285 0.000 0.890 368 L HN 0.311 nan 8.230 nan 0.000 0.435 369 T N -1.111 113.396 114.554 -0.079 0.000 2.759 369 T HA -0.202 4.147 4.350 -0.001 0.000 0.269 369 T C 1.685 176.322 174.700 -0.106 0.000 1.042 369 T CA 1.794 63.972 62.100 0.131 0.000 1.140 369 T CB -0.218 68.718 68.868 0.114 0.000 0.864 369 T HN 0.501 nan 8.240 nan 0.000 0.455 370 E N 1.014 121.028 120.200 -0.310 0.000 2.051 370 E HA 0.122 4.472 4.350 -0.001 0.000 0.189 370 E C 2.660 178.803 176.600 -0.762 0.000 0.979 370 E CA 0.695 56.840 56.400 -0.425 0.000 0.803 370 E CB -0.258 29.273 29.700 -0.280 0.000 0.761 370 E HN 0.431 nan 8.360 nan 0.000 0.451 371 A N 1.156 123.231 122.820 -1.242 0.000 1.948 371 A HA -0.199 4.121 4.320 -0.001 0.000 0.220 371 A C 2.457 179.685 177.584 -0.593 0.000 1.177 371 A CA 1.375 52.657 52.037 -1.259 0.000 0.636 371 A CB -0.755 17.631 19.000 -1.024 0.000 0.815 371 A HN 0.128 nan 8.150 nan 0.000 0.449 372 V N -0.495 119.158 119.914 -0.434 0.000 2.255 372 V HA -0.292 3.827 4.120 -0.001 0.000 0.243 372 V C 2.617 178.628 176.094 -0.139 0.000 1.038 372 V CA 2.243 64.345 62.300 -0.331 0.000 1.008 372 V CB -0.851 30.692 31.823 -0.467 0.000 0.645 372 V HN 0.673 nan 8.190 nan 0.000 0.449 373 Q N -0.308 119.384 119.800 -0.180 0.000 2.152 373 Q HA -0.317 4.023 4.340 -0.001 0.000 0.206 373 Q C 2.208 178.231 176.000 0.039 0.000 0.985 373 Q CA 2.096 57.846 55.803 -0.088 0.000 0.863 373 Q CB -0.269 28.211 28.738 -0.430 0.000 0.904 373 Q HN 0.447 nan 8.270 nan 0.000 0.422 374 K N 1.392 121.730 120.400 -0.104 0.000 1.978 374 K HA -0.154 4.166 4.320 -0.001 0.000 0.214 374 K C 1.668 178.223 176.600 -0.075 0.000 1.049 374 K CA 1.632 57.873 56.287 -0.077 0.000 0.939 374 K CB -0.547 31.855 32.500 -0.163 0.000 0.721 374 K HN 0.180 nan 8.250 nan 0.000 0.441 375 I N 0.714 121.205 120.570 -0.132 0.000 2.315 375 I HA -0.307 3.862 4.170 -0.001 0.000 0.251 375 I C 1.868 178.046 176.117 0.102 0.000 1.125 375 I CA 1.712 62.971 61.300 -0.069 0.000 1.392 375 I CB -0.524 37.456 38.000 -0.033 0.000 1.065 375 I HN 0.276 nan 8.210 nan 0.000 0.424 376 T N -0.392 114.305 114.554 0.238 0.000 2.812 376 T HA -0.120 4.230 4.350 -0.001 0.000 0.264 376 T C 1.929 176.624 174.700 -0.008 0.000 1.042 376 T CA 1.850 64.038 62.100 0.148 0.000 1.140 376 T CB -0.271 68.714 68.868 0.196 0.000 0.870 376 T HN 0.360 nan 8.240 nan 0.000 0.445 377 T N 2.060 116.704 114.554 0.150 0.000 2.857 377 T HA -0.034 4.316 4.350 -0.001 0.000 0.266 377 T C 1.912 176.697 174.700 0.142 0.000 1.048 377 T CA 0.851 63.087 62.100 0.227 0.000 1.139 377 T CB -0.185 68.926 68.868 0.405 0.000 0.874 377 T HN 0.494 nan 8.240 nan 0.000 0.455 378 E N 1.164 121.372 120.200 0.012 0.000 2.070 378 E HA -0.139 4.211 4.350 -0.001 0.000 0.197 378 E C 2.564 179.231 176.600 0.113 0.000 1.004 378 E CA 1.471 57.824 56.400 -0.080 0.000 0.805 378 E CB -0.172 29.372 29.700 -0.260 0.000 0.744 378 E HN 0.359 nan 8.360 nan 0.000 0.451 379 S N 0.872 116.654 115.700 0.138 0.000 2.345 379 S HA -0.115 4.355 4.470 -0.001 0.000 0.220 379 S C 2.074 176.702 174.600 0.046 0.000 1.031 379 S CA 0.770 59.135 58.200 0.275 0.000 0.996 379 S CB -0.242 63.040 63.200 0.137 0.000 0.882 379 S HN 0.210 nan 8.310 nan 0.000 0.445 380 I N 1.005 121.467 120.570 -0.180 0.000 2.381 380 I HA -0.176 3.993 4.170 -0.001 0.000 0.255 380 I C 1.997 177.909 176.117 -0.342 0.000 1.140 380 I CA 0.796 61.797 61.300 -0.498 0.000 1.404 380 I CB -0.314 37.300 38.000 -0.645 0.000 1.075 380 I HN 0.166 nan 8.210 nan 0.000 0.433 381 V N 0.570 120.449 119.914 -0.059 0.000 2.391 381 V HA -0.110 4.010 4.120 -0.001 0.000 0.237 381 V C 2.138 178.334 176.094 0.170 0.000 1.046 381 V CA 1.211 63.571 62.300 0.100 0.000 1.053 381 V CB 0.044 32.040 31.823 0.287 0.000 0.704 381 V HN 0.211 nan 8.190 nan 0.000 0.475 382 I N -1.004 119.579 120.570 0.021 0.000 2.264 382 I HA -0.259 3.910 4.170 -0.001 0.000 0.248 382 I C 1.916 177.744 176.117 -0.481 0.000 1.111 382 I CA 1.837 62.947 61.300 -0.316 0.000 1.382 382 I CB -0.191 37.348 38.000 -0.767 0.000 1.060 382 I HN 0.452 nan 8.210 nan 0.000 0.418 383 W N -0.362 120.794 121.300 -0.240 0.000 2.714 383 W HA 0.333 4.992 4.660 -0.001 0.000 0.353 383 W C 1.558 177.571 176.519 -0.844 0.000 0.999 383 W CA 0.614 57.634 57.345 -0.541 0.000 1.629 383 W CB 0.055 29.266 29.460 -0.414 0.000 1.106 383 W HN 0.298 nan 8.180 nan 0.000 0.545 384 G N 2.116 110.542 108.800 -0.623 0.000 2.175 384 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.265 384 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.265 384 G C 0.191 174.905 174.900 -0.311 0.000 0.979 384 G CA 0.823 45.677 45.100 -0.410 0.000 0.663 384 G HN 0.250 nan 8.290 nan 0.000 0.533 385 K N 0.154 120.404 120.400 -0.251 0.000 2.469 385 K HA 0.575 4.895 4.320 -0.001 0.000 0.254 385 K C -0.000 176.479 176.600 -0.201 0.000 0.939 385 K CA -0.227 55.972 56.287 -0.145 0.000 0.812 385 K CB 1.794 34.290 32.500 -0.007 0.000 1.301 385 K HN 0.236 nan 8.250 nan 0.000 0.433 386 T N 0.092 114.540 114.554 -0.176 0.000 2.780 386 T HA 0.355 4.705 4.350 -0.001 0.000 0.294 386 T C -1.794 172.801 174.700 -0.176 0.000 0.949 386 T CA -1.482 60.498 62.100 -0.200 0.000 1.074 386 T CB 0.663 69.422 68.868 -0.182 0.000 0.910 386 T HN 0.285 nan 8.240 nan 0.000 0.501 387 P HA 0.265 nan 4.420 nan 0.000 0.275 387 P C -0.846 176.239 177.300 -0.358 0.000 1.266 387 P CA -0.731 62.145 63.100 -0.374 0.000 0.793 387 P CB 0.824 32.200 31.700 -0.540 0.000 1.074 388 K N 0.908 121.102 120.400 -0.343 0.000 2.265 388 K HA 0.354 4.674 4.320 -0.001 0.000 0.267 388 K C -0.971 175.495 176.600 -0.224 0.000 0.994 388 K CA -0.576 55.598 56.287 -0.188 0.000 0.860 388 K CB 0.228 32.642 32.500 -0.144 0.000 1.099 388 K HN 0.191 nan 8.250 nan 0.000 0.448 389 F N 2.758 122.658 119.950 -0.082 0.000 2.384 389 F HA 0.281 4.808 4.527 -0.001 0.000 0.338 389 F C 0.780 176.500 175.800 -0.133 0.000 1.103 389 F CA -0.425 57.524 58.000 -0.085 0.000 1.157 389 F CB 1.105 40.044 39.000 -0.101 0.000 1.167 389 F HN 0.283 nan 8.300 nan 0.000 0.529 390 K N 4.540 124.990 120.400 0.083 0.000 2.457 390 K HA 0.325 4.645 4.320 -0.001 0.000 0.226 390 K C -0.909 175.698 176.600 0.012 0.000 1.114 390 K CA -0.252 56.043 56.287 0.013 0.000 1.089 390 K CB 0.249 32.785 32.500 0.060 0.000 1.739 390 K HN 0.518 nan 8.250 nan 0.000 0.473 391 L N 3.994 125.146 121.223 -0.120 0.000 2.562 391 L HA 0.051 4.390 4.340 -0.001 0.000 0.271 391 L C -1.628 175.279 176.870 0.062 0.000 1.167 391 L CA -1.269 53.494 54.840 -0.128 0.000 0.917 391 L CB -0.275 41.499 42.059 -0.475 0.000 1.187 391 L HN 0.180 nan 8.230 nan 0.000 0.482 392 P HA 0.247 nan 4.420 nan 0.000 0.231 392 P C -0.463 176.975 177.300 0.229 0.000 1.811 392 P CA 0.324 63.540 63.100 0.193 0.000 1.051 392 P CB 0.625 32.453 31.700 0.213 0.000 1.951 393 I N -0.097 120.617 120.570 0.241 0.000 3.181 393 I HA 0.302 4.471 4.170 -0.001 0.000 0.311 393 I C -1.204 175.012 176.117 0.165 0.000 1.287 393 I CA -1.479 59.965 61.300 0.239 0.000 0.958 393 I CB 3.101 41.294 38.000 0.323 0.000 1.294 393 I HN -0.068 nan 8.210 nan 0.000 0.467 394 Q N 4.029 123.874 119.800 0.076 0.000 2.304 394 Q HA 0.134 4.473 4.340 -0.001 0.000 0.260 394 Q C 0.704 176.471 176.000 -0.388 0.000 0.965 394 Q CA -0.017 55.742 55.803 -0.073 0.000 0.898 394 Q CB 1.491 30.227 28.738 -0.004 0.000 1.196 394 Q HN 0.611 nan 8.270 nan 0.000 0.402 395 K N 3.126 123.059 120.400 -0.778 0.000 2.074 395 K HA -0.284 4.036 4.320 -0.001 0.000 0.209 395 K C 0.895 177.167 176.600 -0.547 0.000 1.048 395 K CA 2.147 57.570 56.287 -1.439 0.000 0.926 395 K CB 0.265 32.281 32.500 -0.807 0.000 0.713 395 K HN 0.690 nan 8.250 nan 0.000 0.444 396 E N -0.306 119.766 120.200 -0.213 0.000 2.046 396 E HA -0.084 4.266 4.350 -0.001 0.000 0.190 396 E C 1.963 178.561 176.600 -0.003 0.000 0.982 396 E CA 1.798 58.178 56.400 -0.032 0.000 0.800 396 E CB -0.296 29.412 29.700 0.012 0.000 0.756 396 E HN 0.315 nan 8.360 nan 0.000 0.449 397 T N 0.774 115.345 114.554 0.027 0.000 2.684 397 T HA -0.189 4.160 4.350 -0.001 0.000 0.267 397 T C 1.361 176.157 174.700 0.160 0.000 1.036 397 T CA 1.250 63.440 62.100 0.150 0.000 1.148 397 T CB -0.417 68.581 68.868 0.216 0.000 0.863 397 T HN 0.367 nan 8.240 nan 0.000 0.436 398 W N 2.392 123.667 121.300 -0.042 0.000 2.354 398 W HA -0.099 4.560 4.660 -0.001 0.000 0.315 398 W C 1.552 178.115 176.519 0.073 0.000 1.206 398 W CA 1.240 58.577 57.345 -0.014 0.000 1.290 398 W CB -0.411 28.958 29.460 -0.152 0.000 1.152 398 W HN 0.371 nan 8.180 nan 0.000 0.489 399 E N -0.316 119.980 120.200 0.160 0.000 2.501 399 E HA -0.135 4.215 4.350 -0.001 0.000 0.203 399 E C 1.620 178.145 176.600 -0.125 0.000 1.072 399 E CA 1.172 57.618 56.400 0.076 0.000 0.885 399 E CB 0.072 29.756 29.700 -0.027 0.000 0.813 399 E HN 0.230 nan 8.360 nan 0.000 0.556 400 T N -1.289 113.137 114.554 -0.214 0.000 3.071 400 T HA 0.011 4.361 4.350 -0.001 0.000 0.239 400 T C 1.105 175.384 174.700 -0.703 0.000 0.997 400 T CA 0.132 61.915 62.100 -0.528 0.000 1.134 400 T CB -0.061 68.341 68.868 -0.777 0.000 0.928 400 T HN 0.317 nan 8.240 nan 0.000 0.453 401 W N 1.488 122.647 121.300 -0.234 0.000 2.630 401 W HA 0.182 4.841 4.660 -0.001 0.000 0.271 401 W C 2.223 178.529 176.519 -0.355 0.000 1.244 401 W CA -0.628 56.568 57.345 -0.248 0.000 1.353 401 W CB -0.259 29.156 29.460 -0.075 0.000 1.080 401 W HN 0.316 nan 8.180 nan 0.000 0.594 402 W N 1.577 122.576 121.300 -0.502 0.000 2.290 402 W HA -0.314 4.345 4.660 -0.001 0.000 0.318 402 W C 1.750 178.172 176.519 -0.162 0.000 1.248 402 W CA 2.339 59.330 57.345 -0.590 0.000 1.263 402 W CB -2.170 26.499 29.460 -1.318 0.000 1.147 402 W HN 0.017 nan 8.180 nan 0.000 0.494 403 T N -0.618 113.139 114.554 -1.329 0.000 3.139 403 T HA -0.160 4.189 4.350 -0.001 0.000 0.267 403 T C 1.414 175.899 174.700 -0.358 0.000 1.164 403 T CA 1.683 63.148 62.100 -1.058 0.000 1.075 403 T CB -0.214 67.868 68.868 -1.311 0.000 0.904 403 T HN 0.204 nan 8.240 nan 0.000 0.540 404 E N 1.141 121.188 120.200 -0.256 0.000 2.011 404 E HA -0.015 4.335 4.350 -0.001 0.000 0.191 404 E C 1.321 177.752 176.600 -0.281 0.000 0.979 404 E CA 1.323 57.546 56.400 -0.294 0.000 0.822 404 E CB -0.489 28.886 29.700 -0.541 0.000 0.782 404 E HN 0.752 nan 8.360 nan 0.000 0.459 405 Y N -0.801 119.507 120.300 0.012 0.000 2.544 405 Y HA 0.111 4.660 4.550 -0.001 0.000 0.286 405 Y C 0.695 176.623 175.900 0.046 0.000 1.141 405 Y CA -0.399 57.706 58.100 0.008 0.000 1.299 405 Y CB -0.563 37.888 38.460 -0.014 0.000 1.030 405 Y HN 0.129 nan 8.280 nan 0.000 0.543 406 W N 4.821 126.169 121.300 0.080 0.000 2.210 406 W HA 0.210 4.869 4.660 -0.001 0.000 0.330 406 W C -0.096 176.412 176.519 -0.018 0.000 1.334 406 W CA 0.082 57.470 57.345 0.073 0.000 1.227 406 W CB 0.650 30.239 29.460 0.215 0.000 1.178 406 W HN 0.344 nan 8.180 nan 0.000 0.560 407 Q N 4.483 124.062 119.800 -0.368 0.000 2.781 407 Q HA 0.520 4.859 4.340 -0.001 0.000 0.316 407 Q C -1.100 174.620 176.000 -0.465 0.000 0.768 407 Q CA -0.529 55.127 55.803 -0.244 0.000 1.035 407 Q CB -0.067 28.567 28.738 -0.173 0.000 1.466 407 Q HN 0.288 nan 8.270 nan 0.000 0.379 408 A N 0.411 122.821 122.820 -0.684 0.000 2.284 408 A HA 0.718 5.037 4.320 -0.001 0.000 0.317 408 A C 0.866 178.193 177.584 -0.428 0.000 1.120 408 A CA 0.088 51.623 52.037 -0.836 0.000 0.900 408 A CB 1.279 19.350 19.000 -1.548 0.000 1.319 408 A HN 0.453 nan 8.150 nan 0.000 0.494 409 T N -2.950 111.222 114.554 -0.636 0.000 3.040 409 T HA 0.231 4.580 4.350 -0.001 0.000 0.250 409 T C 0.285 174.979 174.700 -0.009 0.000 1.058 409 T CA 0.005 61.978 62.100 -0.210 0.000 0.988 409 T CB -0.300 68.488 68.868 -0.133 0.000 0.993 409 T HN 0.718 nan 8.240 nan 0.000 0.519 410 W N 0.409 121.884 121.300 0.292 0.000 2.850 410 W HA 0.771 5.430 4.660 -0.001 0.000 0.349 410 W C -1.471 175.277 176.519 0.381 0.000 1.133 410 W CA -1.885 55.621 57.345 0.269 0.000 1.117 410 W CB 0.847 30.428 29.460 0.203 0.000 1.442 410 W HN -0.143 nan 8.180 nan 0.000 0.575 411 I N 3.052 123.977 120.570 0.592 0.000 2.468 411 I HA 0.220 4.389 4.170 -0.001 0.000 0.285 411 I C -1.990 174.152 176.117 0.043 0.000 1.039 411 I CA -2.139 59.305 61.300 0.240 0.000 1.074 411 I CB 2.075 39.954 38.000 -0.203 0.000 1.228 411 I HN -0.040 nan 8.210 nan 0.000 0.436 412 P HA 0.204 nan 4.420 nan 0.000 0.279 412 P C -0.800 176.285 177.300 -0.358 0.000 1.282 412 P CA -0.398 62.696 63.100 -0.010 0.000 0.788 412 P CB 0.878 32.775 31.700 0.330 0.000 1.139 413 E N -0.072 120.008 120.200 -0.200 0.000 2.313 413 E HA 0.267 4.616 4.350 -0.001 0.000 0.276 413 E C -0.553 175.942 176.600 -0.176 0.000 1.031 413 E CA 0.203 56.424 56.400 -0.299 0.000 0.857 413 E CB 0.373 29.986 29.700 -0.145 0.000 1.040 413 E HN 0.438 nan 8.360 nan 0.000 0.408 414 W N 1.211 122.386 121.300 -0.208 0.000 3.107 414 W HA 0.546 5.205 4.660 -0.001 0.000 0.331 414 W C -0.506 175.683 176.519 -0.550 0.000 1.204 414 W CA -1.174 55.940 57.345 -0.386 0.000 1.184 414 W CB 0.119 29.181 29.460 -0.663 0.000 1.421 414 W HN 0.508 nan 8.180 nan 0.000 0.544 415 E N 0.358 120.350 120.200 -0.346 0.000 2.446 415 E HA 0.822 5.172 4.350 -0.001 0.000 0.267 415 E C -1.776 174.322 176.600 -0.838 0.000 0.955 415 E CA -1.068 55.051 56.400 -0.469 0.000 0.842 415 E CB 2.371 31.994 29.700 -0.129 0.000 1.504 415 E HN 0.247 nan 8.360 nan 0.000 0.438 416 F N 0.070 120.030 119.950 0.017 0.000 2.551 416 F HA 0.566 5.093 4.527 -0.001 0.000 0.316 416 F C -0.260 175.558 175.800 0.031 0.000 1.089 416 F CA -0.828 57.167 58.000 -0.010 0.000 0.915 416 F CB 2.349 41.343 39.000 -0.011 0.000 1.186 416 F HN 0.489 nan 8.300 nan 0.000 0.456 417 V N -0.384 119.653 119.914 0.206 0.000 3.102 417 V HA 0.644 4.764 4.120 -0.001 0.000 0.312 417 V C -1.189 174.992 176.094 0.145 0.000 1.135 417 V CA -1.015 61.375 62.300 0.150 0.000 1.022 417 V CB 2.274 34.167 31.823 0.117 0.000 1.056 417 V HN 0.871 nan 8.190 nan 0.000 0.436 418 N N -0.018 118.754 118.700 0.119 0.000 2.762 418 N HA 0.146 4.886 4.740 -0.001 0.000 0.252 418 N C -0.177 175.390 175.510 0.094 0.000 1.269 418 N CA -0.246 52.867 53.050 0.103 0.000 0.799 418 N CB 1.567 40.108 38.487 0.091 0.000 1.173 418 N HN 0.846 nan 8.380 nan 0.000 0.516 419 T N 2.570 117.184 114.554 0.099 0.000 2.867 419 T HA -0.012 4.338 4.350 -0.001 0.000 0.290 419 T C -1.980 172.771 174.700 0.085 0.000 1.025 419 T CA -0.296 61.862 62.100 0.097 0.000 1.146 419 T CB -0.033 68.895 68.868 0.099 0.000 1.024 419 T HN 0.420 nan 8.240 nan 0.000 0.519 420 P HA 0.285 nan 4.420 nan 0.000 0.287 420 P C -2.613 174.730 177.300 0.072 0.000 1.307 420 P CA -1.871 61.280 63.100 0.084 0.000 0.777 420 P CB 0.535 32.299 31.700 0.106 0.000 0.883 421 P HA 0.012 nan 4.420 nan 0.000 0.252 421 P C 0.256 177.552 177.300 -0.007 0.000 1.635 421 P CA 0.217 63.335 63.100 0.030 0.000 1.206 421 P CB -0.223 31.491 31.700 0.022 0.000 1.911 422 L N 1.085 122.289 121.223 -0.033 0.000 2.483 422 L HA 0.112 4.451 4.340 -0.001 0.000 0.275 422 L C 1.598 178.398 176.870 -0.116 0.000 1.220 422 L CA -0.703 54.018 54.840 -0.199 0.000 0.833 422 L CB -0.006 41.824 42.059 -0.382 0.000 1.102 422 L HN -0.079 nan 8.230 nan 0.000 0.490 423 V N 1.439 121.275 119.914 -0.131 0.000 3.458 423 V HA -0.076 4.043 4.120 -0.001 0.000 0.318 423 V C 0.595 176.748 176.094 0.100 0.000 1.182 423 V CA 0.481 62.786 62.300 0.007 0.000 1.303 423 V CB -2.187 29.660 31.823 0.039 0.000 1.073 423 V HN 0.838 nan 8.190 nan 0.000 0.418 424 K N 0.183 120.599 120.400 0.026 0.000 4.361 424 K HA -0.187 4.132 4.320 -0.001 0.000 0.294 424 K C 0.251 176.835 176.600 -0.027 0.000 0.970 424 K CA 0.279 56.697 56.287 0.218 0.000 0.913 424 K CB -1.193 31.524 32.500 0.361 0.000 1.583 424 K HN 0.422 nan 8.250 nan 0.000 0.438 425 L N 0.724 121.557 121.223 -0.650 0.000 3.163 425 L HA -0.080 4.260 4.340 -0.001 0.000 0.261 425 L C 0.866 177.275 176.870 -0.768 0.000 1.313 425 L CA 0.689 55.022 54.840 -0.845 0.000 1.111 425 L CB -0.645 40.589 42.059 -1.375 0.000 1.511 425 L HN 0.568 nan 8.230 nan 0.000 0.419 426 W N -2.061 119.111 121.300 -0.215 0.000 3.063 426 W HA 0.083 4.743 4.660 -0.001 0.000 0.246 426 W C 1.049 177.550 176.519 -0.031 0.000 1.145 426 W CA -0.511 56.802 57.345 -0.053 0.000 1.510 426 W CB -0.138 29.337 29.460 0.026 0.000 0.904 426 W HN 0.069 nan 8.180 nan 0.000 0.679 427 Y N 1.669 122.088 120.300 0.197 0.000 2.457 427 Y HA 0.271 4.820 4.550 -0.001 0.000 0.341 427 Y C 1.211 177.153 175.900 0.071 0.000 1.240 427 Y CA -0.504 57.666 58.100 0.116 0.000 1.437 427 Y CB 0.449 38.950 38.460 0.068 0.000 1.328 427 Y HN 0.016 nan 8.280 nan 0.000 0.588 428 Q N 2.505 122.421 119.800 0.193 0.000 2.387 428 Q HA 0.269 4.608 4.340 -0.001 0.000 0.208 428 Q C 0.464 176.557 176.000 0.155 0.000 0.935 428 Q CA -0.044 55.811 55.803 0.087 0.000 0.891 428 Q CB 0.183 28.972 28.738 0.086 0.000 1.007 428 Q HN 0.766 nan 8.270 nan 0.000 0.548 429 L N 0.000 121.361 121.223 0.230 0.000 2.949 429 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 429 L CA 0.000 54.946 54.840 0.176 0.000 0.813 429 L CB 0.000 42.126 42.059 0.112 0.000 0.961 429 L HN 0.000 nan 8.230 nan 0.000 0.502