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 1n5y_1_A 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 HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDICKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIRK 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 0.000 177.355 177.300 0.092 0.000 1.155 1 P CA 0.000 63.141 63.100 0.068 0.000 0.800 1 P CB 0.000 31.728 31.700 0.046 0.000 0.726 2 I N -0.148 120.469 120.570 0.080 0.000 2.740 2 I HA 0.441 4.611 4.170 -0.000 0.000 0.303 2 I C 0.323 176.498 176.117 0.096 0.000 1.044 2 I CA -0.587 60.772 61.300 0.098 0.000 1.064 2 I CB 1.690 39.738 38.000 0.079 0.000 1.249 2 I HN 0.294 nan 8.210 nan 0.000 0.433 3 S N 5.491 121.269 115.700 0.129 0.000 2.603 3 S HA 0.304 4.774 4.470 -0.000 0.000 0.268 3 S C -1.808 172.870 174.600 0.130 0.000 1.317 3 S CA -0.604 57.691 58.200 0.159 0.000 1.012 3 S CB 0.627 63.957 63.200 0.216 0.000 0.926 3 S HN 0.481 nan 8.310 nan 0.000 0.539 4 P HA 0.282 nan 4.420 nan 0.000 0.261 4 P C -0.322 177.105 177.300 0.213 0.000 1.268 4 P CA -0.034 63.118 63.100 0.086 0.000 0.833 4 P CB -0.041 31.604 31.700 -0.091 0.000 1.231 5 I N 0.953 121.715 120.570 0.320 0.000 2.741 5 I HA -0.086 4.084 4.170 -0.000 0.000 0.288 5 I C 1.161 177.365 176.117 0.145 0.000 1.192 5 I CA 0.109 61.571 61.300 0.269 0.000 1.426 5 I CB -0.082 38.013 38.000 0.158 0.000 1.367 5 I HN 0.069 nan 8.210 nan 0.000 0.563 6 E N 4.757 125.029 120.200 0.120 0.000 2.502 6 E HA -0.068 4.282 4.350 -0.000 0.000 0.261 6 E C -0.147 176.488 176.600 0.058 0.000 0.974 6 E CA -0.001 56.446 56.400 0.077 0.000 0.936 6 E CB 0.670 30.406 29.700 0.061 0.000 0.926 6 E HN 0.581 nan 8.360 nan 0.000 0.459 7 T N 3.147 117.733 114.554 0.054 0.000 2.907 7 T HA 0.196 4.546 4.350 -0.000 0.000 0.298 7 T C -0.561 174.165 174.700 0.044 0.000 1.017 7 T CA -0.729 61.401 62.100 0.050 0.000 1.118 7 T CB 0.610 69.509 68.868 0.052 0.000 0.948 7 T HN 0.265 nan 8.240 nan 0.000 0.531 8 V N 9.086 129.029 119.914 0.047 0.000 2.432 8 V HA 0.319 4.439 4.120 -0.000 0.000 0.271 8 V C -1.683 174.445 176.094 0.055 0.000 1.046 8 V CA -1.611 60.719 62.300 0.050 0.000 0.945 8 V CB 0.885 32.745 31.823 0.062 0.000 0.992 8 V HN 0.785 nan 8.190 nan 0.000 0.471 9 P HA 0.230 nan 4.420 nan 0.000 0.276 9 P C -0.708 176.581 177.300 -0.017 0.000 1.253 9 P CA 0.136 63.246 63.100 0.016 0.000 0.766 9 P CB 1.399 33.106 31.700 0.013 0.000 0.845 10 V N 1.398 121.261 119.914 -0.085 0.000 2.604 10 V HA 0.620 4.740 4.120 -0.000 0.000 0.305 10 V C -0.246 175.689 176.094 -0.265 0.000 1.043 10 V CA -0.837 61.329 62.300 -0.222 0.000 0.888 10 V CB 2.244 33.893 31.823 -0.290 0.000 0.995 10 V HN 0.354 nan 8.190 nan 0.000 0.429 11 K N 3.332 123.612 120.400 -0.200 0.000 2.380 11 K HA 0.747 5.067 4.320 -0.000 0.000 0.243 11 K C -1.037 175.559 176.600 -0.006 0.000 1.071 11 K CA -0.985 55.282 56.287 -0.033 0.000 0.942 11 K CB 1.845 34.331 32.500 -0.023 0.000 1.324 11 K HN 0.665 nan 8.250 nan 0.000 0.517 12 L N 1.228 122.487 121.223 0.061 0.000 2.332 12 L HA 0.390 4.730 4.340 -0.000 0.000 0.269 12 L C -0.073 176.786 176.870 -0.019 0.000 1.016 12 L CA -0.901 53.957 54.840 0.029 0.000 0.809 12 L CB 1.489 43.514 42.059 -0.057 0.000 1.280 12 L HN 0.430 nan 8.230 nan 0.000 0.447 13 K N 1.355 121.740 120.400 -0.025 0.000 2.469 13 K HA 0.090 4.410 4.320 -0.000 0.000 0.274 13 K C -2.280 174.311 176.600 -0.016 0.000 0.983 13 K CA -1.337 54.931 56.287 -0.030 0.000 0.974 13 K CB -0.126 32.363 32.500 -0.019 0.000 0.913 13 K HN 0.241 nan 8.250 nan 0.000 0.493 14 P HA -0.101 nan 4.420 nan 0.000 0.260 14 P C 0.335 177.639 177.300 0.005 0.000 1.172 14 P CA 1.004 64.102 63.100 -0.003 0.000 0.760 14 P CB 0.281 31.977 31.700 -0.006 0.000 0.773 15 G N 2.256 111.064 108.800 0.014 0.000 2.179 15 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.257 15 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.257 15 G C 0.007 174.921 174.900 0.022 0.000 1.010 15 G CA -0.132 44.980 45.100 0.020 0.000 0.736 15 G HN 0.455 nan 8.290 nan 0.000 0.513 16 M N -0.669 118.942 119.600 0.019 0.000 2.662 16 M HA 0.548 5.028 4.480 -0.000 0.000 0.310 16 M C -0.458 175.856 176.300 0.023 0.000 1.204 16 M CA -0.844 54.466 55.300 0.018 0.000 0.891 16 M CB 1.842 34.443 32.600 0.001 0.000 1.732 16 M HN 0.093 nan 8.290 nan 0.000 0.467 17 D N -0.001 120.427 120.400 0.047 0.000 2.506 17 D HA 0.631 5.271 4.640 -0.000 0.000 0.254 17 D C -0.068 176.260 176.300 0.046 0.000 1.089 17 D CA -0.053 54.015 54.000 0.112 0.000 1.050 17 D CB 1.576 42.497 40.800 0.201 0.000 1.221 17 D HN 0.673 nan 8.370 nan 0.000 0.589 18 G N -0.421 108.471 108.800 0.153 0.000 2.570 18 G HA2 0.362 4.322 3.960 -0.000 0.000 0.276 18 G HA3 0.362 4.322 3.960 -0.000 0.000 0.276 18 G C -2.267 172.794 174.900 0.268 0.000 1.346 18 G CA -0.755 44.288 45.100 -0.096 0.000 1.034 18 G HN 0.420 nan 8.290 nan 0.000 0.512 19 P HA 0.315 nan 4.420 nan 0.000 0.293 19 P C -1.143 176.293 177.300 0.227 0.000 1.300 19 P CA -0.257 62.960 63.100 0.195 0.000 0.792 19 P CB 1.325 33.110 31.700 0.142 0.000 0.925 20 K N 2.499 122.966 120.400 0.112 0.000 2.800 20 K HA 0.344 4.664 4.320 -0.000 0.000 0.185 20 K C -0.740 175.864 176.600 0.007 0.000 1.082 20 K CA -0.525 55.781 56.287 0.032 0.000 0.978 20 K CB 1.052 33.531 32.500 -0.036 0.000 1.364 20 K HN 0.218 nan 8.250 nan 0.000 0.592 21 V N 4.703 124.618 119.914 0.001 0.000 2.318 21 V HA 0.077 4.197 4.120 -0.000 0.000 0.271 21 V C 0.347 176.377 176.094 -0.108 0.000 1.030 21 V CA -1.080 61.194 62.300 -0.044 0.000 0.844 21 V CB 0.565 32.359 31.823 -0.049 0.000 1.015 21 V HN 0.539 nan 8.190 nan 0.000 0.460 22 K N 3.637 123.978 120.400 -0.098 0.000 2.584 22 K HA -0.104 4.216 4.320 -0.000 0.000 0.277 22 K C -0.266 176.171 176.600 -0.271 0.000 0.960 22 K CA 0.023 56.235 56.287 -0.126 0.000 0.975 22 K CB 0.592 33.051 32.500 -0.068 0.000 0.885 22 K HN 0.625 nan 8.250 nan 0.000 0.515 23 Q N 1.150 120.801 119.800 -0.248 0.000 2.282 23 Q HA 0.288 4.628 4.340 -0.000 0.000 0.260 23 Q C -1.260 174.608 176.000 -0.219 0.000 0.964 23 Q CA -0.530 55.044 55.803 -0.381 0.000 0.880 23 Q CB 0.916 29.535 28.738 -0.197 0.000 1.286 23 Q HN 0.572 nan 8.270 nan 0.000 0.445 24 W N 4.121 125.422 121.300 0.002 0.000 2.261 24 W HA 0.388 5.048 4.660 -0.000 0.000 0.323 24 W C -2.211 174.331 176.519 0.037 0.000 1.243 24 W CA -2.253 55.103 57.345 0.017 0.000 1.210 24 W CB -0.182 29.289 29.460 0.018 0.000 1.149 24 W HN 0.541 nan 8.180 nan 0.000 0.562 25 P HA 0.178 nan 4.420 nan 0.000 0.271 25 P C -0.190 177.231 177.300 0.203 0.000 1.218 25 P CA 0.181 63.385 63.100 0.174 0.000 0.780 25 P CB 0.782 32.554 31.700 0.120 0.000 0.901 26 L N 0.370 121.691 121.223 0.162 0.000 2.279 26 L HA 0.563 4.902 4.340 -0.000 0.000 0.262 26 L C 0.655 177.580 176.870 0.092 0.000 1.019 26 L CA -1.009 53.926 54.840 0.159 0.000 0.823 26 L CB 1.755 43.927 42.059 0.187 0.000 1.358 26 L HN 0.300 nan 8.230 nan 0.000 0.432 27 T N -3.362 111.236 114.554 0.073 0.000 2.907 27 T HA 0.059 4.409 4.350 -0.000 0.000 0.298 27 T C 0.833 175.529 174.700 -0.007 0.000 1.017 27 T CA -0.395 61.725 62.100 0.034 0.000 1.118 27 T CB 1.221 70.110 68.868 0.036 0.000 0.948 27 T HN 0.802 nan 8.240 nan 0.000 0.531 28 E N 1.069 121.263 120.200 -0.011 0.000 2.273 28 E HA -0.260 4.090 4.350 -0.000 0.000 0.198 28 E C 1.762 178.314 176.600 -0.081 0.000 1.002 28 E CA 1.163 57.544 56.400 -0.032 0.000 0.828 28 E CB -0.002 29.686 29.700 -0.020 0.000 0.747 28 E HN 0.813 nan 8.360 nan 0.000 0.491 29 E N 0.623 120.771 120.200 -0.086 0.000 2.106 29 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 29 E C 1.533 177.919 176.600 -0.356 0.000 0.984 29 E CA 1.170 57.479 56.400 -0.152 0.000 0.806 29 E CB 0.184 29.849 29.700 -0.059 0.000 0.750 29 E HN 0.303 nan 8.360 nan 0.000 0.458 30 K N -0.326 119.901 120.400 -0.289 0.000 2.168 30 K HA 0.130 4.450 4.320 -0.000 0.000 0.201 30 K C 2.320 178.776 176.600 -0.240 0.000 1.049 30 K CA 0.335 56.379 56.287 -0.405 0.000 0.974 30 K CB 0.126 32.566 32.500 -0.100 0.000 0.792 30 K HN 0.036 nan 8.250 nan 0.000 0.463 31 I N 1.630 122.137 120.570 -0.105 0.000 2.052 31 I HA -0.312 3.858 4.170 -0.000 0.000 0.235 31 I C 2.205 178.283 176.117 -0.065 0.000 1.046 31 I CA 1.233 62.510 61.300 -0.039 0.000 1.308 31 I CB -0.252 37.744 38.000 -0.007 0.000 1.031 31 I HN 0.014 nan 8.210 nan 0.000 0.395 32 K N 1.294 121.642 120.400 -0.088 0.000 2.442 32 K HA -0.121 4.199 4.320 -0.000 0.000 0.199 32 K C 1.682 178.210 176.600 -0.121 0.000 1.044 32 K CA 1.275 57.514 56.287 -0.080 0.000 0.941 32 K CB -0.330 32.124 32.500 -0.077 0.000 0.759 32 K HN 0.419 nan 8.250 nan 0.000 0.472 33 A N -0.061 122.628 122.820 -0.218 0.000 1.878 33 A HA 0.011 4.330 4.320 -0.000 0.000 0.213 33 A C 2.060 179.574 177.584 -0.116 0.000 1.192 33 A CA 0.898 52.755 52.037 -0.299 0.000 0.619 33 A CB -0.461 18.099 19.000 -0.733 0.000 0.837 33 A HN 0.261 nan 8.150 nan 0.000 0.446 34 L N 0.044 121.232 121.223 -0.059 0.000 2.012 34 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 34 L C 2.515 179.425 176.870 0.066 0.000 1.073 34 L CA 1.381 56.250 54.840 0.048 0.000 0.748 34 L CB -0.694 41.423 42.059 0.097 0.000 0.891 34 L HN 0.262 nan 8.230 nan 0.000 0.431 35 V N -0.200 119.747 119.914 0.056 0.000 2.439 35 V HA -0.334 3.786 4.120 -0.000 0.000 0.253 35 V C 2.320 178.450 176.094 0.059 0.000 1.074 35 V CA 2.006 64.352 62.300 0.076 0.000 1.076 35 V CB -0.777 31.073 31.823 0.045 0.000 0.664 35 V HN 0.503 nan 8.190 nan 0.000 0.461 36 E N 0.277 120.494 120.200 0.029 0.000 2.031 36 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 36 E C 2.182 178.808 176.600 0.042 0.000 0.994 36 E CA 1.750 58.167 56.400 0.029 0.000 0.800 36 E CB -0.284 29.427 29.700 0.017 0.000 0.752 36 E HN 0.610 nan 8.360 nan 0.000 0.447 37 I N 0.945 121.546 120.570 0.051 0.000 2.127 37 I HA -0.345 3.825 4.170 -0.000 0.000 0.241 37 I C 2.603 178.738 176.117 0.030 0.000 1.075 37 I CA 0.897 62.233 61.300 0.059 0.000 1.334 37 I CB -0.613 37.438 38.000 0.084 0.000 1.040 37 I HN 0.225 nan 8.210 nan 0.000 0.405 38 C N 0.534 119.844 119.300 0.016 0.000 2.453 38 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 38 C C 3.092 178.009 174.990 -0.121 0.000 1.262 38 C CA 1.531 60.479 59.018 -0.116 0.000 1.718 38 C CB -1.177 26.492 27.740 -0.117 0.000 2.031 38 C HN 0.530 nan 8.230 nan 0.000 0.480 39 T N 0.723 115.290 114.554 0.021 0.000 2.653 39 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 39 T C 1.694 176.401 174.700 0.011 0.000 1.035 39 T CA 2.176 64.309 62.100 0.055 0.000 1.154 39 T CB -0.385 68.522 68.868 0.065 0.000 0.862 39 T HN 0.543 nan 8.240 nan 0.000 0.441 40 E N 1.031 121.238 120.200 0.011 0.000 2.058 40 E HA -0.062 4.287 4.350 -0.000 0.000 0.194 40 E C 2.135 178.736 176.600 0.002 0.000 0.997 40 E CA 1.423 57.834 56.400 0.018 0.000 0.801 40 E CB -0.424 29.298 29.700 0.037 0.000 0.746 40 E HN 0.527 nan 8.360 nan 0.000 0.450 41 M N -0.029 119.552 119.600 -0.033 0.000 2.229 41 M HA -0.108 4.372 4.480 -0.000 0.000 0.264 41 M C 2.306 178.537 176.300 -0.115 0.000 1.063 41 M CA 1.347 56.607 55.300 -0.066 0.000 1.114 41 M CB -0.229 32.289 32.600 -0.135 0.000 1.387 41 M HN 0.158 nan 8.290 nan 0.000 0.420 42 E N 0.879 120.996 120.200 -0.140 0.000 2.077 42 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 42 E C 1.943 178.528 176.600 -0.024 0.000 0.989 42 E CA 1.307 57.652 56.400 -0.092 0.000 0.800 42 E CB 0.086 29.784 29.700 -0.002 0.000 0.746 42 E HN 0.388 nan 8.360 nan 0.000 0.452 43 K N 0.480 120.877 120.400 -0.005 0.000 2.148 43 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 43 K C 1.879 178.486 176.600 0.011 0.000 1.050 43 K CA 1.102 57.395 56.287 0.010 0.000 0.942 43 K CB 0.120 32.631 32.500 0.018 0.000 0.724 43 K HN 0.079 nan 8.250 nan 0.000 0.446 44 E N -1.261 118.946 120.200 0.011 0.000 2.338 44 E HA -0.078 4.272 4.350 -0.000 0.000 0.197 44 E C 0.939 177.552 176.600 0.023 0.000 1.007 44 E CA 0.711 57.129 56.400 0.030 0.000 0.849 44 E CB 0.227 29.961 29.700 0.057 0.000 0.774 44 E HN 0.618 nan 8.360 nan 0.000 0.506 45 G N 0.967 109.763 108.800 -0.007 0.000 2.259 45 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 45 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 45 G C 1.059 175.932 174.900 -0.046 0.000 1.001 45 G CA 0.328 45.421 45.100 -0.012 0.000 0.627 45 G HN 0.048 nan 8.290 nan 0.000 0.501 46 K N 0.687 121.038 120.400 -0.081 0.000 2.211 46 K HA 0.080 4.400 4.320 -0.000 0.000 0.204 46 K C 1.571 178.000 176.600 -0.284 0.000 1.047 46 K CA 1.822 57.996 56.287 -0.187 0.000 0.935 46 K CB -0.415 31.904 32.500 -0.301 0.000 0.728 46 K HN 1.014 nan 8.250 nan 0.000 0.452 47 I N -4.725 115.682 120.570 -0.271 0.000 3.279 47 I HA 0.479 4.649 4.170 -0.000 0.000 0.315 47 I C -1.065 174.972 176.117 -0.133 0.000 1.187 47 I CA -1.028 60.091 61.300 -0.301 0.000 0.953 47 I CB 2.599 40.284 38.000 -0.525 0.000 1.279 47 I HN -0.315 nan 8.210 nan 0.000 0.465 48 S N 0.887 116.570 115.700 -0.029 0.000 2.533 48 S HA 0.363 4.833 4.470 -0.000 0.000 0.271 48 S C -1.060 173.633 174.600 0.154 0.000 1.143 48 S CA -0.815 57.430 58.200 0.075 0.000 0.891 48 S CB 1.966 65.171 63.200 0.009 0.000 1.105 48 S HN 0.672 nan 8.310 nan 0.000 0.468 49 K N 2.651 123.113 120.400 0.103 0.000 2.401 49 K HA 0.329 4.649 4.320 -0.000 0.000 0.278 49 K C -0.167 176.363 176.600 -0.117 0.000 1.018 49 K CA -0.134 56.069 56.287 -0.140 0.000 0.981 49 K CB 0.100 32.465 32.500 -0.224 0.000 0.933 49 K HN 0.630 nan 8.250 nan 0.000 0.477 50 I N 0.269 120.741 120.570 -0.162 0.000 2.750 50 I HA 0.569 4.739 4.170 -0.000 0.000 0.308 50 I C 0.508 176.556 176.117 -0.116 0.000 1.016 50 I CA -1.113 60.117 61.300 -0.115 0.000 1.098 50 I CB 1.698 39.638 38.000 -0.099 0.000 1.279 50 I HN 0.580 nan 8.210 nan 0.000 0.454 51 G N 1.951 110.701 108.800 -0.084 0.000 2.621 51 G HA2 0.408 4.368 3.960 -0.000 0.000 0.271 51 G HA3 0.408 4.368 3.960 -0.000 0.000 0.271 51 G C -1.539 173.317 174.900 -0.073 0.000 1.236 51 G CA -0.947 44.107 45.100 -0.075 0.000 0.958 51 G HN 0.654 nan 8.290 nan 0.000 0.512 52 P HA -0.093 nan 4.420 nan 0.000 0.215 52 P C 1.517 178.784 177.300 -0.056 0.000 1.157 52 P CA 1.296 64.358 63.100 -0.063 0.000 0.856 52 P CB 0.047 31.713 31.700 -0.057 0.000 0.786 53 E N 0.654 120.825 120.200 -0.047 0.000 2.301 53 E HA -0.213 4.137 4.350 -0.000 0.000 0.202 53 E C 0.700 177.275 176.600 -0.042 0.000 1.017 53 E CA 0.879 57.254 56.400 -0.042 0.000 0.831 53 E CB -1.385 28.296 29.700 -0.031 0.000 0.742 53 E HN 0.216 nan 8.360 nan 0.000 0.491 54 N N 2.402 121.082 118.700 -0.034 0.000 2.431 54 N HA 0.013 4.753 4.740 -0.000 0.000 0.265 54 N C -1.479 173.997 175.510 -0.057 0.000 1.184 54 N CA -1.038 52.011 53.050 -0.000 0.000 0.943 54 N CB 1.351 39.847 38.487 0.016 0.000 1.080 54 N HN 0.043 nan 8.380 nan 0.000 0.477 55 P HA 0.021 nan 4.420 nan 0.000 0.232 55 P C -0.165 176.953 177.300 -0.302 0.000 1.170 55 P CA 0.408 63.323 63.100 -0.308 0.000 0.824 55 P CB 0.272 31.681 31.700 -0.485 0.000 0.896 56 Y N 1.355 121.665 120.300 0.016 0.000 2.426 56 Y HA 0.322 4.872 4.550 -0.000 0.000 0.344 56 Y C 1.014 176.930 175.900 0.027 0.000 1.256 56 Y CA 0.287 58.412 58.100 0.042 0.000 1.451 56 Y CB -0.142 38.380 38.460 0.104 0.000 1.342 56 Y HN -0.015 nan 8.280 nan 0.000 0.600 57 N N -0.769 118.045 118.700 0.190 0.000 2.647 57 N HA 0.338 5.078 4.740 -0.000 0.000 0.259 57 N C -1.694 173.870 175.510 0.090 0.000 1.098 57 N CA -0.565 52.557 53.050 0.119 0.000 0.984 57 N CB 1.343 39.849 38.487 0.031 0.000 1.683 57 N HN 0.739 nan 8.380 nan 0.000 0.501 58 T N 0.511 115.120 114.554 0.093 0.000 2.887 58 T HA 0.694 5.044 4.350 -0.000 0.000 0.288 58 T C -2.889 171.716 174.700 -0.157 0.000 1.021 58 T CA -1.960 60.136 62.100 -0.007 0.000 1.000 58 T CB 1.979 70.886 68.868 0.065 0.000 1.034 58 T HN 0.147 nan 8.240 nan 0.000 0.467 59 P HA 0.400 nan 4.420 nan 0.000 0.270 59 P C -1.057 175.916 177.300 -0.545 0.000 1.223 59 P CA -0.504 62.190 63.100 -0.678 0.000 0.785 59 P CB 0.736 31.767 31.700 -1.115 0.000 0.923 60 V N 4.238 123.854 119.914 -0.496 0.000 2.789 60 V HA 0.658 4.778 4.120 -0.000 0.000 0.300 60 V C -1.489 174.733 176.094 0.213 0.000 1.184 60 V CA -0.537 61.677 62.300 -0.144 0.000 0.930 60 V CB 0.221 31.982 31.823 -0.103 0.000 1.041 60 V HN 0.548 nan 8.190 nan 0.000 0.430 61 F N 4.398 124.495 119.950 0.245 0.000 2.691 61 F HA 1.033 5.560 4.527 -0.000 0.000 0.334 61 F C -0.189 175.739 175.800 0.212 0.000 1.107 61 F CA -0.904 57.285 58.000 0.316 0.000 0.991 61 F CB 1.862 41.139 39.000 0.461 0.000 1.400 61 F HN 0.756 nan 8.300 nan 0.000 0.503 62 A N 1.221 124.226 122.820 0.308 0.000 2.413 62 A HA 0.826 5.146 4.320 -0.000 0.000 0.307 62 A C -1.770 175.894 177.584 0.133 0.000 1.087 62 A CA -0.762 51.416 52.037 0.234 0.000 0.750 62 A CB 1.968 21.184 19.000 0.361 0.000 1.296 62 A HN 0.743 nan 8.150 nan 0.000 0.423 63 I N 0.261 120.858 120.570 0.045 0.000 2.894 63 I HA 0.469 4.639 4.170 -0.000 0.000 0.302 63 I C -0.609 175.266 176.117 -0.403 0.000 1.188 63 I CA -0.612 60.562 61.300 -0.210 0.000 1.014 63 I CB 2.286 40.099 38.000 -0.311 0.000 1.242 63 I HN 0.766 nan 8.210 nan 0.000 0.430 64 K N 4.133 124.112 120.400 -0.702 0.000 2.143 64 K HA 0.557 4.877 4.320 -0.000 0.000 0.272 64 K C -0.866 175.479 176.600 -0.425 0.000 1.001 64 K CA -0.827 54.977 56.287 -0.805 0.000 0.915 64 K CB 1.369 33.254 32.500 -1.025 0.000 1.047 64 K HN 0.258 nan 8.250 nan 0.000 0.458 65 K N 2.785 122.984 120.400 -0.335 0.000 2.299 65 K HA 0.129 4.449 4.320 -0.000 0.000 0.268 65 K C 0.407 176.889 176.600 -0.196 0.000 1.075 65 K CA -0.452 55.709 56.287 -0.209 0.000 0.936 65 K CB 0.861 33.274 32.500 -0.145 0.000 1.228 65 K HN 0.506 nan 8.250 nan 0.000 0.454 66 K N 1.753 122.046 120.400 -0.178 0.000 2.228 66 K HA -0.245 4.075 4.320 -0.000 0.000 0.205 66 K C 0.894 177.432 176.600 -0.103 0.000 1.045 66 K CA 1.980 58.181 56.287 -0.142 0.000 0.931 66 K CB 0.011 32.441 32.500 -0.117 0.000 0.727 66 K HN 0.751 nan 8.250 nan 0.000 0.458 67 D N 0.000 120.346 120.400 -0.091 0.000 2.085 67 D HA -0.070 4.570 4.640 -0.000 0.000 0.199 67 D C 1.602 177.867 176.300 -0.058 0.000 0.981 67 D CA 1.511 55.472 54.000 -0.065 0.000 0.834 67 D CB -0.033 40.732 40.800 -0.057 0.000 0.992 67 D HN -0.072 nan 8.370 nan 0.000 0.457 68 S N -1.578 114.084 115.700 -0.064 0.000 2.527 68 S HA 0.026 4.496 4.470 -0.000 0.000 0.222 68 S C 0.475 175.047 174.600 -0.048 0.000 0.985 68 S CA 0.923 59.096 58.200 -0.046 0.000 0.921 68 S CB -0.089 63.087 63.200 -0.039 0.000 0.772 68 S HN 0.453 nan 8.310 nan 0.000 0.529 69 T N 1.649 116.150 114.554 -0.089 0.000 5.221 69 T HA -0.221 4.129 4.350 -0.000 0.000 0.299 69 T C -0.030 174.616 174.700 -0.089 0.000 1.489 69 T CA 1.590 63.629 62.100 -0.102 0.000 2.593 69 T CB -1.560 67.289 68.868 -0.032 0.000 1.859 69 T HN 0.762 nan 8.240 nan 0.000 0.982 70 K N -0.486 119.861 120.400 -0.088 0.000 2.087 70 K HA 0.564 4.884 4.320 -0.000 0.000 0.255 70 K C -0.410 176.126 176.600 -0.106 0.000 0.988 70 K CA -1.000 55.294 56.287 0.011 0.000 0.915 70 K CB 1.143 33.664 32.500 0.035 0.000 1.043 70 K HN 0.157 nan 8.250 nan 0.000 0.457 71 W N 0.790 122.086 121.300 -0.006 0.000 2.436 71 W HA 0.468 5.128 4.660 -0.000 0.000 0.347 71 W C 0.069 176.586 176.519 -0.004 0.000 1.136 71 W CA -0.347 56.993 57.345 -0.009 0.000 1.286 71 W CB 1.426 30.887 29.460 0.002 0.000 1.253 71 W HN 0.623 nan 8.180 nan 0.000 0.617 72 R N 1.683 122.305 120.500 0.202 0.000 2.725 72 R HA 0.398 4.738 4.340 -0.000 0.000 0.277 72 R C -1.137 175.253 176.300 0.149 0.000 0.987 72 R CA -0.907 55.270 56.100 0.127 0.000 0.901 72 R CB 1.586 31.907 30.300 0.034 0.000 1.207 72 R HN 0.443 nan 8.270 nan 0.000 0.463 73 K N 3.115 123.599 120.400 0.139 0.000 2.172 73 K HA 0.450 4.770 4.320 -0.000 0.000 0.276 73 K C -1.393 175.288 176.600 0.135 0.000 1.013 73 K CA -0.556 55.816 56.287 0.141 0.000 0.913 73 K CB 0.796 33.369 32.500 0.121 0.000 1.055 73 K HN 0.370 nan 8.250 nan 0.000 0.461 74 L N 4.424 125.749 121.223 0.171 0.000 2.438 74 L HA 0.356 4.696 4.340 -0.000 0.000 0.270 74 L C -1.331 175.646 176.870 0.178 0.000 0.972 74 L CA -0.624 54.342 54.840 0.209 0.000 0.831 74 L CB 2.121 44.351 42.059 0.286 0.000 1.273 74 L HN 0.374 nan 8.230 nan 0.000 0.405 75 V N 2.083 121.962 119.914 -0.058 0.000 2.547 75 V HA 0.407 4.527 4.120 -0.000 0.000 0.299 75 V C -0.609 175.242 176.094 -0.406 0.000 1.040 75 V CA -0.694 61.368 62.300 -0.397 0.000 0.913 75 V CB 1.927 33.252 31.823 -0.829 0.000 0.992 75 V HN 0.657 nan 8.190 nan 0.000 0.449 76 D N 2.558 122.700 120.400 -0.429 0.000 2.500 76 D HA 0.293 4.933 4.640 -0.000 0.000 0.219 76 D C 0.248 176.411 176.300 -0.227 0.000 1.137 76 D CA -0.319 53.540 54.000 -0.235 0.000 0.946 76 D CB 0.202 40.900 40.800 -0.170 0.000 1.022 76 D HN 0.336 nan 8.370 nan 0.000 0.518 77 F N 1.782 121.769 119.950 0.063 0.000 2.795 77 F HA 0.202 4.729 4.527 -0.000 0.000 0.303 77 F C 2.113 177.980 175.800 0.113 0.000 1.186 77 F CA -0.059 57.997 58.000 0.092 0.000 1.415 77 F CB -0.186 38.902 39.000 0.147 0.000 1.106 77 F HN 0.263 nan 8.300 nan 0.000 0.558 78 R N 0.288 120.914 120.500 0.210 0.000 2.143 78 R HA -0.222 4.118 4.340 -0.000 0.000 0.239 78 R C 2.199 178.594 176.300 0.158 0.000 1.126 78 R CA 1.940 58.136 56.100 0.160 0.000 0.927 78 R CB -0.352 30.013 30.300 0.109 0.000 0.860 78 R HN 0.168 nan 8.270 nan 0.000 0.433 79 E N 0.720 121.002 120.200 0.138 0.000 2.058 79 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 79 E C 2.052 178.742 176.600 0.150 0.000 0.997 79 E CA 0.839 57.312 56.400 0.121 0.000 0.801 79 E CB -0.302 29.453 29.700 0.093 0.000 0.746 79 E HN 0.325 nan 8.360 nan 0.000 0.450 80 L N 1.361 122.716 121.223 0.219 0.000 1.971 80 L HA -0.272 4.068 4.340 -0.000 0.000 0.215 80 L C 1.967 178.998 176.870 0.269 0.000 1.072 80 L CA 1.563 56.542 54.840 0.231 0.000 0.758 80 L CB -0.423 41.815 42.059 0.298 0.000 0.889 80 L HN 0.145 nan 8.230 nan 0.000 0.433 81 N N 0.313 119.194 118.700 0.302 0.000 2.061 81 N HA -0.256 4.484 4.740 -0.000 0.000 0.193 81 N C 1.685 177.272 175.510 0.129 0.000 1.030 81 N CA 1.396 54.568 53.050 0.204 0.000 0.856 81 N CB -0.358 38.220 38.487 0.151 0.000 1.023 81 N HN 0.342 nan 8.380 nan 0.000 0.424 82 K N 0.468 120.937 120.400 0.114 0.000 2.160 82 K HA -0.084 4.235 4.320 -0.000 0.000 0.206 82 K C 1.960 178.598 176.600 0.064 0.000 1.047 82 K CA 1.162 57.495 56.287 0.075 0.000 0.930 82 K CB 0.026 32.568 32.500 0.070 0.000 0.720 82 K HN 0.132 nan 8.250 nan 0.000 0.450 83 R N -0.407 120.141 120.500 0.080 0.000 2.156 83 R HA 0.056 4.396 4.340 -0.000 0.000 0.207 83 R C 0.422 176.765 176.300 0.071 0.000 1.040 83 R CA 0.250 56.379 56.100 0.050 0.000 1.013 83 R CB 0.200 30.507 30.300 0.012 0.000 0.931 83 R HN -0.043 nan 8.270 nan 0.000 0.465 84 T N 2.884 117.541 114.554 0.171 0.000 2.905 84 T HA -0.057 4.293 4.350 -0.000 0.000 0.299 84 T C 0.089 174.803 174.700 0.024 0.000 1.024 84 T CA 0.134 62.378 62.100 0.239 0.000 1.151 84 T CB 0.523 69.620 68.868 0.381 0.000 0.987 84 T HN 0.236 nan 8.240 nan 0.000 0.535 85 Q N 2.586 122.331 119.800 -0.092 0.000 2.624 85 Q HA 0.200 4.540 4.340 -0.000 0.000 0.256 85 Q C -0.432 175.343 176.000 -0.374 0.000 1.119 85 Q CA -0.321 55.344 55.803 -0.229 0.000 0.995 85 Q CB 0.233 28.785 28.738 -0.311 0.000 1.318 85 Q HN 0.603 nan 8.270 nan 0.000 0.534 86 D N -0.220 119.989 120.400 -0.318 0.000 2.163 86 D HA 0.403 5.043 4.640 -0.000 0.000 0.248 86 D C -0.923 175.144 176.300 -0.388 0.000 1.035 86 D CA -0.578 53.267 54.000 -0.259 0.000 0.872 86 D CB 0.479 41.235 40.800 -0.073 0.000 1.183 86 D HN 0.427 nan 8.370 nan 0.000 0.445 87 F N -0.324 119.569 119.950 -0.095 0.000 2.364 87 F HA 0.371 4.898 4.527 -0.000 0.000 0.316 87 F C 0.596 176.411 175.800 0.024 0.000 1.133 87 F CA -1.153 56.816 58.000 -0.052 0.000 1.051 87 F CB 0.945 39.868 39.000 -0.128 0.000 1.342 87 F HN 0.336 nan 8.300 nan 0.000 0.507 88 W N 2.779 124.154 121.300 0.125 0.000 2.347 88 W HA 0.282 4.942 4.660 -0.000 0.000 0.321 88 W C -0.839 175.711 176.519 0.051 0.000 0.971 88 W CA -0.811 56.565 57.345 0.052 0.000 1.508 88 W CB 0.497 29.968 29.460 0.018 0.000 1.299 88 W HN 0.509 nan 8.180 nan 0.000 0.399 89 E N 2.692 122.590 120.200 -0.503 0.000 2.481 89 E HA -0.068 4.282 4.350 -0.000 0.000 0.263 89 E C 0.834 177.182 176.600 -0.420 0.000 0.992 89 E CA 0.291 56.455 56.400 -0.394 0.000 0.938 89 E CB 1.961 31.436 29.700 -0.375 0.000 0.933 89 E HN 0.373 nan 8.360 nan 0.000 0.453 90 V N 1.804 121.628 119.914 -0.151 0.000 2.795 90 V HA -0.103 4.017 4.120 -0.000 0.000 0.243 90 V C 1.036 177.112 176.094 -0.030 0.000 1.069 90 V CA 0.413 62.701 62.300 -0.021 0.000 1.089 90 V CB -0.154 31.688 31.823 0.032 0.000 0.756 90 V HN 0.509 nan 8.190 nan 0.000 0.471 91 Q N 1.120 120.885 119.800 -0.058 0.000 2.247 91 Q HA 0.071 4.411 4.340 -0.000 0.000 0.288 91 Q C 0.126 176.113 176.000 -0.022 0.000 1.079 91 Q CA 0.891 56.684 55.803 -0.017 0.000 0.932 91 Q CB 0.396 29.117 28.738 -0.029 0.000 1.133 91 Q HN 0.522 nan 8.270 nan 0.000 0.377 92 L N 3.148 124.379 121.223 0.013 0.000 2.959 92 L HA 0.565 4.905 4.340 -0.000 0.000 0.259 92 L C 0.584 177.463 176.870 0.015 0.000 1.185 92 L CA -0.014 54.829 54.840 0.006 0.000 0.998 92 L CB 0.055 42.132 42.059 0.031 0.000 1.337 92 L HN 0.766 nan 8.230 nan 0.000 0.555 93 G N 1.313 110.132 108.800 0.032 0.000 2.352 93 G HA2 0.169 4.129 3.960 -0.000 0.000 0.303 93 G HA3 0.169 4.129 3.960 -0.000 0.000 0.303 93 G C -1.480 173.439 174.900 0.031 0.000 1.593 93 G CA -0.806 44.310 45.100 0.027 0.000 0.963 93 G HN 0.059 nan 8.290 nan 0.000 0.685 94 I N 1.153 121.720 120.570 -0.006 0.000 2.440 94 I HA 0.718 4.888 4.170 -0.000 0.000 0.294 94 I C -1.481 174.553 176.117 -0.139 0.000 0.995 94 I CA -1.979 59.248 61.300 -0.121 0.000 1.306 94 I CB 1.658 39.533 38.000 -0.208 0.000 1.407 94 I HN 0.437 nan 8.210 nan 0.000 0.501 95 P HA 0.133 nan 4.420 nan 0.000 0.272 95 P C -1.328 175.885 177.300 -0.144 0.000 1.240 95 P CA 0.155 63.225 63.100 -0.050 0.000 0.791 95 P CB 0.587 32.397 31.700 0.184 0.000 0.978 96 H N 1.622 120.574 119.070 -0.197 0.000 2.667 96 H HA 0.214 4.770 4.556 -0.000 0.000 0.353 96 H C -1.924 173.146 175.328 -0.430 0.000 1.072 96 H CA -2.121 53.703 56.048 -0.374 0.000 1.214 96 H CB 2.329 31.892 29.762 -0.332 0.000 1.600 96 H HN 0.150 nan 8.280 nan 0.000 0.527 97 P HA -0.187 nan 4.420 nan 0.000 0.217 97 P C 1.054 178.076 177.300 -0.463 0.000 1.151 97 P CA 1.781 64.498 63.100 -0.638 0.000 0.849 97 P CB 0.023 30.901 31.700 -1.370 0.000 0.787 98 A N -0.071 122.634 122.820 -0.191 0.000 2.194 98 A HA -0.053 4.267 4.320 -0.000 0.000 0.220 98 A C 2.357 179.987 177.584 0.076 0.000 1.162 98 A CA 1.781 53.843 52.037 0.041 0.000 0.674 98 A CB -1.580 17.321 19.000 -0.165 0.000 0.789 98 A HN 0.388 nan 8.150 nan 0.000 0.470 99 G N -1.285 107.411 108.800 -0.172 0.000 3.020 99 G HA2 0.398 4.358 3.960 -0.000 0.000 0.217 99 G HA3 0.398 4.358 3.960 -0.000 0.000 0.217 99 G C 0.499 175.386 174.900 -0.021 0.000 1.144 99 G CA -0.323 44.681 45.100 -0.161 0.000 0.760 99 G HN 0.380 nan 8.290 nan 0.000 0.548 100 L N 0.228 121.312 121.223 -0.233 0.000 2.456 100 L HA 0.445 4.785 4.340 -0.000 0.000 0.257 100 L C 0.001 176.769 176.870 -0.170 0.000 1.162 100 L CA -0.378 54.221 54.840 -0.401 0.000 0.808 100 L CB 0.959 42.478 42.059 -0.901 0.000 1.136 100 L HN -0.038 nan 8.230 nan 0.000 0.466 101 K N 0.961 121.288 120.400 -0.121 0.000 2.324 101 K HA 0.384 4.704 4.320 -0.000 0.000 0.253 101 K C -1.118 175.519 176.600 0.061 0.000 0.932 101 K CA -1.006 55.306 56.287 0.042 0.000 0.799 101 K CB 1.855 34.396 32.500 0.068 0.000 1.154 101 K HN 0.327 nan 8.250 nan 0.000 0.425 102 K N 2.690 123.237 120.400 0.245 0.000 2.504 102 K HA -0.016 4.304 4.320 -0.000 0.000 0.278 102 K C -0.224 176.465 176.600 0.148 0.000 1.025 102 K CA 0.515 56.981 56.287 0.300 0.000 1.093 102 K CB 0.149 32.800 32.500 0.252 0.000 0.873 102 K HN 0.233 nan 8.250 nan 0.000 0.483 103 K N 3.255 123.737 120.400 0.135 0.000 2.345 103 K HA 0.176 4.496 4.320 -0.000 0.000 0.255 103 K C 0.655 177.285 176.600 0.050 0.000 0.934 103 K CA -0.793 55.543 56.287 0.081 0.000 0.801 103 K CB 1.803 34.347 32.500 0.073 0.000 1.137 103 K HN 0.277 nan 8.250 nan 0.000 0.424 104 K N 1.045 121.458 120.400 0.023 0.000 2.015 104 K HA -0.090 4.230 4.320 -0.000 0.000 0.220 104 K C 0.372 176.933 176.600 -0.064 0.000 1.055 104 K CA 1.597 57.878 56.287 -0.010 0.000 0.951 104 K CB -0.161 32.331 32.500 -0.013 0.000 0.725 104 K HN 0.573 nan 8.250 nan 0.000 0.449 105 S N 0.084 115.687 115.700 -0.161 0.000 2.472 105 S HA 0.514 4.984 4.470 -0.000 0.000 0.303 105 S C -0.471 173.905 174.600 -0.373 0.000 1.099 105 S CA -0.954 56.991 58.200 -0.425 0.000 1.077 105 S CB 2.607 65.243 63.200 -0.940 0.000 1.031 105 S HN -0.023 nan 8.310 nan 0.000 0.487 106 V N 2.094 121.907 119.914 -0.170 0.000 2.841 106 V HA 0.750 4.870 4.120 -0.000 0.000 0.310 106 V C -0.400 175.670 176.094 -0.041 0.000 1.090 106 V CA -0.571 61.730 62.300 0.001 0.000 0.930 106 V CB 2.361 34.364 31.823 0.301 0.000 1.014 106 V HN 0.986 nan 8.190 nan 0.000 0.425 107 T N 2.265 116.635 114.554 -0.306 0.000 2.900 107 T HA 0.743 5.093 4.350 -0.000 0.000 0.303 107 T C -1.254 173.052 174.700 -0.656 0.000 1.142 107 T CA -0.566 61.273 62.100 -0.435 0.000 1.007 107 T CB 2.229 71.016 68.868 -0.135 0.000 1.156 107 T HN 0.430 nan 8.240 nan 0.000 0.490 108 V N 2.477 122.034 119.914 -0.596 0.000 2.841 108 V HA 0.704 4.824 4.120 -0.000 0.000 0.310 108 V C -1.086 174.898 176.094 -0.183 0.000 1.090 108 V CA -0.640 61.390 62.300 -0.450 0.000 0.930 108 V CB 1.898 33.324 31.823 -0.661 0.000 1.014 108 V HN 0.736 nan 8.190 nan 0.000 0.425 109 L N 2.820 123.999 121.223 -0.074 0.000 2.251 109 L HA 0.839 5.179 4.340 -0.000 0.000 0.244 109 L C -1.275 175.631 176.870 0.060 0.000 1.095 109 L CA -0.788 54.058 54.840 0.010 0.000 0.910 109 L CB 2.211 44.258 42.059 -0.020 0.000 1.516 109 L HN 0.447 nan 8.230 nan 0.000 0.429 110 D N -0.957 119.479 120.400 0.059 0.000 2.615 110 D HA 0.620 5.259 4.640 -0.000 0.000 0.267 110 D C -1.565 174.764 176.300 0.049 0.000 1.236 110 D CA -0.174 53.863 54.000 0.061 0.000 0.839 110 D CB 3.013 43.848 40.800 0.059 0.000 1.380 110 D HN 0.106 nan 8.370 nan 0.000 0.433 111 V N 0.326 120.267 119.914 0.045 0.000 2.628 111 V HA 0.787 4.907 4.120 -0.000 0.000 0.306 111 V C 0.586 176.691 176.094 0.018 0.000 1.045 111 V CA -0.628 61.709 62.300 0.061 0.000 0.905 111 V CB 1.909 33.812 31.823 0.133 0.000 0.997 111 V HN 0.607 nan 8.190 nan 0.000 0.436 112 G N 1.067 109.884 108.800 0.028 0.000 2.412 112 G HA2 0.528 4.488 3.960 -0.000 0.000 0.318 112 G HA3 0.528 4.488 3.960 -0.000 0.000 0.318 112 G C -0.255 174.650 174.900 0.008 0.000 1.146 112 G CA -0.227 44.869 45.100 -0.007 0.000 0.882 112 G HN 0.833 nan 8.290 nan 0.000 0.501 113 D N -0.033 120.331 120.400 -0.060 0.000 2.708 113 D HA -0.254 4.386 4.640 -0.000 0.000 0.236 113 D C 1.688 178.034 176.300 0.077 0.000 1.146 113 D CA 0.914 54.890 54.000 -0.040 0.000 0.662 113 D CB -1.167 39.681 40.800 0.080 0.000 1.059 113 D HN 0.663 nan 8.370 nan 0.000 0.428 114 A N -0.087 122.720 122.820 -0.021 0.000 1.870 114 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 114 A C 1.844 179.664 177.584 0.392 0.000 1.224 114 A CA 1.676 53.754 52.037 0.067 0.000 0.650 114 A CB -0.599 18.139 19.000 -0.437 0.000 0.836 114 A HN 0.380 nan 8.150 nan 0.000 0.454 115 Y N -1.466 118.899 120.300 0.108 0.000 2.153 115 Y HA -0.042 4.508 4.550 -0.000 0.000 0.289 115 Y C 2.043 178.243 175.900 0.500 0.000 1.127 115 Y CA 0.169 58.466 58.100 0.328 0.000 1.131 115 Y CB -1.342 37.302 38.460 0.308 0.000 0.995 115 Y HN 0.324 nan 8.280 nan 0.000 0.505 116 F N -0.092 120.043 119.950 0.307 0.000 2.706 116 F HA -0.077 4.450 4.527 -0.000 0.000 0.295 116 F C 1.767 177.687 175.800 0.200 0.000 1.228 116 F CA 0.426 58.566 58.000 0.233 0.000 1.474 116 F CB -1.093 38.012 39.000 0.174 0.000 1.120 116 F HN -0.082 nan 8.300 nan 0.000 0.605 117 S N -1.382 114.570 115.700 0.419 0.000 2.603 117 S HA 0.229 4.699 4.470 -0.000 0.000 0.232 117 S C 0.344 175.100 174.600 0.260 0.000 1.016 117 S CA -0.090 58.293 58.200 0.304 0.000 0.976 117 S CB 0.750 64.126 63.200 0.293 0.000 0.921 117 S HN -0.101 nan 8.310 nan 0.000 0.516 118 V N 3.601 123.682 119.914 0.278 0.000 2.495 118 V HA 0.411 4.531 4.120 -0.000 0.000 0.298 118 V C -2.704 173.480 176.094 0.149 0.000 1.031 118 V CA -2.420 59.995 62.300 0.192 0.000 0.871 118 V CB 1.478 33.409 31.823 0.180 0.000 0.988 118 V HN 0.004 nan 8.190 nan 0.000 0.432 119 P HA 0.109 nan 4.420 nan 0.000 0.266 119 P C -0.750 176.597 177.300 0.078 0.000 1.195 119 P CA -0.114 63.038 63.100 0.086 0.000 0.768 119 P CB 0.492 32.237 31.700 0.076 0.000 0.838 120 L N 2.892 124.153 121.223 0.063 0.000 2.322 120 L HA 0.361 4.701 4.340 -0.000 0.000 0.279 120 L C 0.112 177.015 176.870 0.055 0.000 1.036 120 L CA -0.561 54.306 54.840 0.045 0.000 0.807 120 L CB 0.632 42.693 42.059 0.003 0.000 1.226 120 L HN 0.277 nan 8.230 nan 0.000 0.433 121 D N 2.800 123.240 120.400 0.067 0.000 2.570 121 D HA -0.152 4.488 4.640 -0.000 0.000 0.243 121 D C 0.956 177.303 176.300 0.079 0.000 1.171 121 D CA 0.631 54.675 54.000 0.074 0.000 0.879 121 D CB 0.877 41.722 40.800 0.074 0.000 1.143 121 D HN 0.815 nan 8.370 nan 0.000 0.511 122 E N 2.907 123.137 120.200 0.050 0.000 2.086 122 E HA -0.244 4.106 4.350 -0.000 0.000 0.200 122 E C 0.854 177.466 176.600 0.019 0.000 1.012 122 E CA 1.707 58.123 56.400 0.027 0.000 0.812 122 E CB 0.135 29.846 29.700 0.018 0.000 0.743 122 E HN 0.486 nan 8.360 nan 0.000 0.453 123 D N -1.203 119.221 120.400 0.042 0.000 2.390 123 D HA -0.098 4.542 4.640 -0.000 0.000 0.235 123 D C 0.536 176.884 176.300 0.080 0.000 1.040 123 D CA 0.446 54.467 54.000 0.035 0.000 0.923 123 D CB 0.059 40.894 40.800 0.058 0.000 0.886 123 D HN 0.237 nan 8.370 nan 0.000 0.532 124 F N 0.053 119.941 119.950 -0.104 0.000 2.784 124 F HA 0.204 4.731 4.527 -0.000 0.000 0.323 124 F C 1.767 177.456 175.800 -0.186 0.000 1.085 124 F CA -0.259 57.688 58.000 -0.088 0.000 1.196 124 F CB 0.364 39.370 39.000 0.011 0.000 1.053 124 F HN -0.272 nan 8.300 nan 0.000 0.578 125 R N 1.236 121.658 120.500 -0.129 0.000 2.091 125 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 125 R C 2.118 178.247 176.300 -0.285 0.000 1.136 125 R CA 1.948 57.943 56.100 -0.174 0.000 0.959 125 R CB -0.623 29.636 30.300 -0.069 0.000 0.856 125 R HN 0.342 nan 8.270 nan 0.000 0.437 126 K N 0.082 120.239 120.400 -0.405 0.000 2.293 126 K HA -0.207 4.113 4.320 -0.000 0.000 0.204 126 K C 0.979 177.305 176.600 -0.457 0.000 1.045 126 K CA 1.703 57.741 56.287 -0.416 0.000 0.933 126 K CB -0.304 31.897 32.500 -0.498 0.000 0.736 126 K HN 0.269 nan 8.250 nan 0.000 0.463 127 Y N 2.010 121.975 120.300 -0.558 0.000 2.517 127 Y HA 0.014 4.564 4.550 -0.000 0.000 0.281 127 Y C 2.170 177.863 175.900 -0.345 0.000 1.125 127 Y CA 0.919 58.633 58.100 -0.643 0.000 1.283 127 Y CB -0.183 37.665 38.460 -1.020 0.000 1.042 127 Y HN 0.272 nan 8.280 nan 0.000 0.547 128 T N -1.971 112.498 114.554 -0.143 0.000 3.219 128 T HA 0.454 4.804 4.350 -0.000 0.000 0.249 128 T C 0.831 175.763 174.700 0.388 0.000 1.099 128 T CA 0.002 62.157 62.100 0.093 0.000 0.988 128 T CB -0.712 68.163 68.868 0.012 0.000 0.999 128 T HN 0.191 nan 8.240 nan 0.000 0.550 129 A N 1.834 124.786 122.820 0.220 0.000 2.511 129 A HA 0.547 4.867 4.320 -0.000 0.000 0.242 129 A C -0.049 177.716 177.584 0.301 0.000 1.069 129 A CA -0.508 51.639 52.037 0.184 0.000 0.763 129 A CB -0.516 18.550 19.000 0.111 0.000 1.001 129 A HN 0.773 nan 8.150 nan 0.000 0.498 130 F N -0.387 119.645 119.950 0.137 0.000 2.643 130 F HA 0.825 5.352 4.527 -0.000 0.000 0.314 130 F C -0.284 175.553 175.800 0.062 0.000 1.096 130 F CA -0.824 57.224 58.000 0.080 0.000 0.953 130 F CB 1.295 40.346 39.000 0.085 0.000 1.345 130 F HN 0.351 nan 8.300 nan 0.000 0.468 131 T N 2.541 117.209 114.554 0.189 0.000 2.885 131 T HA 0.561 4.911 4.350 -0.000 0.000 0.285 131 T C -1.022 173.794 174.700 0.194 0.000 1.019 131 T CA -0.523 61.612 62.100 0.058 0.000 1.010 131 T CB 1.732 70.601 68.868 0.001 0.000 1.022 131 T HN 0.835 nan 8.240 nan 0.000 0.466 132 I N 4.402 125.055 120.570 0.138 0.000 2.502 132 I HA 0.357 4.527 4.170 -0.000 0.000 0.276 132 I C -2.308 173.858 176.117 0.082 0.000 1.057 132 I CA -2.776 58.632 61.300 0.179 0.000 1.163 132 I CB 1.329 39.490 38.000 0.267 0.000 1.288 132 I HN 0.367 nan 8.210 nan 0.000 0.479 133 P HA -0.085 nan 4.420 nan 0.000 0.267 133 P C -0.095 177.222 177.300 0.028 0.000 1.175 133 P CA 0.368 63.490 63.100 0.037 0.000 0.763 133 P CB 0.389 32.120 31.700 0.053 0.000 0.795 134 S N 1.891 117.598 115.700 0.011 0.000 2.614 134 S HA 0.153 4.623 4.470 -0.000 0.000 0.265 134 S C 1.759 176.366 174.600 0.011 0.000 1.303 134 S CA -0.500 57.702 58.200 0.003 0.000 1.000 134 S CB 0.150 63.346 63.200 -0.007 0.000 0.935 134 S HN 0.577 nan 8.310 nan 0.000 0.551 135 I N -1.264 119.308 120.570 0.004 0.000 2.454 135 I HA -0.055 4.115 4.170 -0.000 0.000 0.254 135 I C 0.448 176.571 176.117 0.009 0.000 1.156 135 I CA 0.834 62.137 61.300 0.005 0.000 1.433 135 I CB -0.753 37.245 38.000 -0.003 0.000 1.082 135 I HN 0.773 nan 8.210 nan 0.000 0.432 136 N N 0.657 119.361 118.700 0.007 0.000 2.825 136 N HA 0.007 4.747 4.740 -0.000 0.000 0.253 136 N C -0.204 175.309 175.510 0.005 0.000 1.426 136 N CA -0.648 52.407 53.050 0.008 0.000 0.851 136 N CB 0.226 38.716 38.487 0.005 0.000 1.470 136 N HN -0.100 nan 8.380 nan 0.000 0.517 137 N N 0.172 118.876 118.700 0.007 0.000 2.903 137 N HA -0.199 4.541 4.740 -0.000 0.000 0.209 137 N C 0.232 175.741 175.510 -0.003 0.000 1.421 137 N CA 0.730 53.782 53.050 0.004 0.000 1.004 137 N CB -0.252 38.238 38.487 0.005 0.000 1.135 137 N HN 0.614 nan 8.380 nan 0.000 0.452 138 E N -0.948 119.249 120.200 -0.005 0.000 3.188 138 E HA 0.049 4.399 4.350 -0.000 0.000 0.262 138 E C -0.227 176.364 176.600 -0.015 0.000 1.341 138 E CA -0.423 55.971 56.400 -0.010 0.000 1.140 138 E CB 0.488 30.182 29.700 -0.010 0.000 1.306 138 E HN 0.136 nan 8.360 nan 0.000 0.694 139 T N 1.594 116.136 114.554 -0.020 0.000 2.770 139 T HA -0.072 4.278 4.350 -0.000 0.000 0.308 139 T C -2.224 172.457 174.700 -0.032 0.000 1.027 139 T CA -0.780 61.304 62.100 -0.027 0.000 1.144 139 T CB 0.004 68.853 68.868 -0.032 0.000 1.087 139 T HN 0.245 nan 8.240 nan 0.000 0.484 140 P HA 0.179 nan 4.420 nan 0.000 0.265 140 P C 0.697 177.964 177.300 -0.055 0.000 1.193 140 P CA -0.168 62.904 63.100 -0.046 0.000 0.765 140 P CB -0.004 31.663 31.700 -0.055 0.000 0.823 141 G N 2.882 111.654 108.800 -0.047 0.000 2.680 141 G HA2 0.113 4.073 3.960 -0.000 0.000 0.274 141 G HA3 0.113 4.073 3.960 -0.000 0.000 0.274 141 G C 0.092 174.936 174.900 -0.094 0.000 1.292 141 G CA -0.672 44.398 45.100 -0.049 0.000 1.007 141 G HN 0.506 nan 8.290 nan 0.000 0.578 142 I N 0.860 121.363 120.570 -0.110 0.000 2.371 142 I HA 0.249 4.419 4.170 -0.000 0.000 0.290 142 I C 0.245 176.172 176.117 -0.317 0.000 1.028 142 I CA -0.562 60.598 61.300 -0.233 0.000 1.345 142 I CB 0.933 38.793 38.000 -0.233 0.000 1.407 142 I HN 0.190 nan 8.210 nan 0.000 0.501 143 R N 5.711 125.966 120.500 -0.408 0.000 2.428 143 R HA 0.574 4.914 4.340 -0.000 0.000 0.294 143 R C -1.319 174.614 176.300 -0.611 0.000 1.000 143 R CA -0.757 55.102 56.100 -0.402 0.000 0.960 143 R CB 1.479 31.624 30.300 -0.258 0.000 1.076 143 R HN 0.406 nan 8.270 nan 0.000 0.475 144 Y N -0.075 119.855 120.300 -0.617 0.000 2.562 144 Y HA 0.259 4.809 4.550 -0.000 0.000 0.345 144 Y C 0.199 175.742 175.900 -0.595 0.000 1.045 144 Y CA -0.824 56.856 58.100 -0.700 0.000 1.028 144 Y CB 2.148 39.974 38.460 -1.057 0.000 1.297 144 Y HN 0.497 nan 8.280 nan 0.000 0.463 145 Q N 1.106 120.857 119.800 -0.081 0.000 2.458 145 Q HA 0.545 4.885 4.340 -0.000 0.000 0.282 145 Q C -1.977 174.044 176.000 0.034 0.000 1.106 145 Q CA -0.852 54.968 55.803 0.028 0.000 0.814 145 Q CB 2.333 31.065 28.738 -0.010 0.000 1.425 145 Q HN 0.716 nan 8.270 nan 0.000 0.437 146 Y N 1.046 121.364 120.300 0.031 0.000 2.352 146 Y HA 0.323 4.873 4.550 -0.000 0.000 0.326 146 Y C 0.658 176.521 175.900 -0.061 0.000 1.166 146 Y CA -0.090 58.002 58.100 -0.014 0.000 1.182 146 Y CB 1.590 40.024 38.460 -0.043 0.000 1.216 146 Y HN 0.728 nan 8.280 nan 0.000 0.474 147 N N 0.601 119.333 118.700 0.054 0.000 2.210 147 N HA 0.092 4.832 4.740 -0.000 0.000 0.203 147 N C -0.510 175.033 175.510 0.055 0.000 1.175 147 N CA 0.432 53.500 53.050 0.030 0.000 0.894 147 N CB 1.084 39.567 38.487 -0.007 0.000 1.041 147 N HN 0.385 nan 8.380 nan 0.000 0.506 148 V N -1.994 117.973 119.914 0.089 0.000 3.182 148 V HA 0.553 4.672 4.120 -0.000 0.000 0.311 148 V C 0.208 176.365 176.094 0.105 0.000 1.221 148 V CA -1.037 61.324 62.300 0.102 0.000 1.060 148 V CB 1.191 33.067 31.823 0.090 0.000 1.164 148 V HN -0.167 nan 8.190 nan 0.000 0.466 149 L N 2.470 123.779 121.223 0.143 0.000 2.456 149 L HA 0.343 4.683 4.340 -0.000 0.000 0.277 149 L C -2.227 174.718 176.870 0.125 0.000 1.124 149 L CA -1.188 53.705 54.840 0.089 0.000 0.880 149 L CB 0.425 42.508 42.059 0.039 0.000 1.192 149 L HN 0.507 nan 8.230 nan 0.000 0.463 150 P HA 0.047 nan 4.420 nan 0.000 0.269 150 P C -0.850 176.572 177.300 0.205 0.000 1.209 150 P CA -0.247 62.659 63.100 -0.323 0.000 0.776 150 P CB 0.525 31.652 31.700 -0.955 0.000 0.876 151 Q N 1.077 121.134 119.800 0.428 0.000 2.267 151 Q HA 0.437 4.777 4.340 -0.000 0.000 0.255 151 Q C 0.916 177.164 176.000 0.414 0.000 0.923 151 Q CA 0.325 56.427 55.803 0.497 0.000 0.925 151 Q CB 0.540 29.530 28.738 0.420 0.000 1.195 151 Q HN 0.824 nan 8.270 nan 0.000 0.417 152 G N 2.514 111.533 108.800 0.364 0.000 2.130 152 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.216 152 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.216 152 G C -0.899 174.219 174.900 0.364 0.000 0.999 152 G CA -0.013 45.276 45.100 0.316 0.000 0.686 152 G HN 0.629 nan 8.290 nan 0.000 0.515 153 W N 0.707 122.039 121.300 0.053 0.000 2.578 153 W HA 0.712 5.372 4.660 -0.000 0.000 0.346 153 W C 1.030 177.512 176.519 -0.061 0.000 1.075 153 W CA -1.130 56.171 57.345 -0.074 0.000 1.233 153 W CB 1.014 30.277 29.460 -0.327 0.000 1.358 153 W HN -0.070 nan 8.180 nan 0.000 0.574 154 K N 1.722 121.646 120.400 -0.794 0.000 2.044 154 K HA -0.150 4.170 4.320 -0.000 0.000 0.210 154 K C 1.799 177.682 176.600 -1.194 0.000 1.049 154 K CA 2.129 57.958 56.287 -0.763 0.000 0.927 154 K CB -0.672 31.545 32.500 -0.472 0.000 0.713 154 K HN 0.821 nan 8.250 nan 0.000 0.443 155 G N 0.080 107.490 108.800 -2.318 0.000 2.403 155 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 155 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 155 G C 1.449 175.723 174.900 -1.044 0.000 1.154 155 G CA 0.828 44.616 45.100 -2.187 0.000 0.784 155 G HN 0.284 nan 8.290 nan 0.000 0.538 156 S N 2.001 117.408 115.700 -0.489 0.000 2.426 156 S HA -0.208 4.262 4.470 -0.000 0.000 0.253 156 S C 0.200 174.442 174.600 -0.597 0.000 1.104 156 S CA 2.169 60.094 58.200 -0.459 0.000 1.158 156 S CB -1.223 61.672 63.200 -0.509 0.000 1.043 156 S HN 0.385 nan 8.310 nan 0.000 0.443 157 P HA -0.012 nan 4.420 nan 0.000 0.212 157 P C 1.638 178.839 177.300 -0.166 0.000 1.180 157 P CA 1.599 64.598 63.100 -0.169 0.000 0.906 157 P CB -0.208 31.401 31.700 -0.151 0.000 0.782 158 A N -0.736 121.891 122.820 -0.321 0.000 1.902 158 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 158 A C 2.280 179.749 177.584 -0.191 0.000 1.181 158 A CA 1.505 53.384 52.037 -0.263 0.000 0.623 158 A CB -1.701 17.071 19.000 -0.379 0.000 0.818 158 A HN 0.080 nan 8.150 nan 0.000 0.443 159 I N -1.895 118.515 120.570 -0.266 0.000 2.142 159 I HA -0.249 3.921 4.170 -0.000 0.000 0.240 159 I C 2.401 178.477 176.117 -0.068 0.000 1.078 159 I CA 1.895 63.117 61.300 -0.130 0.000 1.343 159 I CB -0.492 37.454 38.000 -0.091 0.000 1.046 159 I HN 0.466 nan 8.210 nan 0.000 0.405 160 F N 1.696 121.546 119.950 -0.166 0.000 2.120 160 F HA -0.311 4.216 4.527 -0.000 0.000 0.300 160 F C 2.632 178.412 175.800 -0.034 0.000 1.095 160 F CA 1.819 59.780 58.000 -0.065 0.000 1.249 160 F CB -0.228 38.774 39.000 0.004 0.000 0.995 160 F HN 0.066 nan 8.300 nan 0.000 0.480 161 Q N -0.401 119.507 119.800 0.180 0.000 2.020 161 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 161 Q C 2.501 178.457 176.000 -0.073 0.000 0.982 161 Q CA 2.012 57.868 55.803 0.088 0.000 0.838 161 Q CB -0.484 28.287 28.738 0.055 0.000 0.899 161 Q HN 0.342 nan 8.270 nan 0.000 0.423 162 S N 0.189 115.844 115.700 -0.076 0.000 2.359 162 S HA -0.205 4.265 4.470 -0.000 0.000 0.223 162 S C 2.038 176.554 174.600 -0.140 0.000 1.039 162 S CA 1.458 59.610 58.200 -0.079 0.000 1.042 162 S CB -0.274 62.898 63.200 -0.048 0.000 0.915 162 S HN 0.351 nan 8.310 nan 0.000 0.439 163 S N 1.589 117.168 115.700 -0.200 0.000 2.378 163 S HA -0.249 4.221 4.470 -0.000 0.000 0.221 163 S C 1.886 176.286 174.600 -0.333 0.000 1.037 163 S CA 1.886 59.928 58.200 -0.264 0.000 1.069 163 S CB -0.664 62.336 63.200 -0.333 0.000 1.006 163 S HN 0.478 nan 8.310 nan 0.000 0.423 164 M N 2.056 121.360 119.600 -0.494 0.000 2.124 164 M HA -0.199 4.281 4.480 -0.000 0.000 0.253 164 M C 1.954 178.124 176.300 -0.217 0.000 1.077 164 M CA 2.038 57.105 55.300 -0.388 0.000 1.085 164 M CB -1.627 30.761 32.600 -0.354 0.000 1.320 164 M HN 0.322 nan 8.290 nan 0.000 0.404 165 T N 0.384 114.842 114.554 -0.160 0.000 2.684 165 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 165 T C 1.863 176.483 174.700 -0.132 0.000 1.036 165 T CA 1.768 63.803 62.100 -0.108 0.000 1.148 165 T CB -0.258 68.568 68.868 -0.070 0.000 0.863 165 T HN 0.455 nan 8.240 nan 0.000 0.436 166 K N 0.392 120.695 120.400 -0.163 0.000 2.103 166 K HA -0.040 4.280 4.320 -0.000 0.000 0.207 166 K C 2.223 178.662 176.600 -0.268 0.000 1.048 166 K CA 1.174 57.352 56.287 -0.182 0.000 0.930 166 K CB -0.338 32.051 32.500 -0.186 0.000 0.716 166 K HN 0.374 nan 8.250 nan 0.000 0.444 167 I N 0.938 121.294 120.570 -0.356 0.000 2.252 167 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 167 I C 2.036 177.993 176.117 -0.267 0.000 1.102 167 I CA 1.171 62.181 61.300 -0.484 0.000 1.385 167 I CB -0.176 37.546 38.000 -0.464 0.000 1.064 167 I HN 0.134 nan 8.210 nan 0.000 0.414 168 L N 0.129 121.240 121.223 -0.187 0.000 2.313 168 L HA -0.133 4.207 4.340 -0.000 0.000 0.214 168 L C 2.379 179.224 176.870 -0.042 0.000 1.119 168 L CA 0.428 55.195 54.840 -0.122 0.000 0.809 168 L CB -0.544 41.462 42.059 -0.088 0.000 0.933 168 L HN 0.199 nan 8.230 nan 0.000 0.449 169 E N 1.585 121.746 120.200 -0.065 0.000 2.110 169 E HA -0.261 4.089 4.350 -0.000 0.000 0.225 169 E C -0.543 176.060 176.600 0.006 0.000 1.063 169 E CA 2.718 59.097 56.400 -0.034 0.000 0.906 169 E CB -1.324 28.342 29.700 -0.057 0.000 0.795 169 E HN 0.284 nan 8.360 nan 0.000 0.479 170 P HA -0.131 nan 4.420 nan 0.000 0.218 170 P C 1.610 178.948 177.300 0.063 0.000 1.149 170 P CA 1.272 64.419 63.100 0.078 0.000 0.817 170 P CB -0.267 31.534 31.700 0.167 0.000 0.785 171 F N 1.667 121.570 119.950 -0.079 0.000 2.113 171 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 171 F C 2.262 178.011 175.800 -0.085 0.000 1.103 171 F CA 1.698 59.614 58.000 -0.140 0.000 1.248 171 F CB -0.375 38.407 39.000 -0.363 0.000 0.999 171 F HN -0.262 nan 8.300 nan 0.000 0.475 172 K N 0.479 120.927 120.400 0.081 0.000 2.057 172 K HA -0.225 4.095 4.320 -0.000 0.000 0.207 172 K C 2.104 178.651 176.600 -0.089 0.000 1.049 172 K CA 1.624 57.921 56.287 0.018 0.000 0.931 172 K CB -0.321 32.212 32.500 0.056 0.000 0.714 172 K HN 0.135 nan 8.250 nan 0.000 0.440 173 K N 0.475 120.833 120.400 -0.070 0.000 2.218 173 K HA -0.201 4.119 4.320 -0.000 0.000 0.205 173 K C 1.614 178.144 176.600 -0.116 0.000 1.046 173 K CA 1.346 57.592 56.287 -0.069 0.000 0.933 173 K CB 0.195 32.672 32.500 -0.038 0.000 0.728 173 K HN 0.114 nan 8.250 nan 0.000 0.454 174 Q N -0.251 119.423 119.800 -0.211 0.000 2.402 174 Q HA 0.058 4.398 4.340 -0.000 0.000 0.206 174 Q C -0.081 175.735 176.000 -0.306 0.000 0.919 174 Q CA 0.586 56.240 55.803 -0.249 0.000 0.923 174 Q CB 0.659 29.223 28.738 -0.291 0.000 1.048 174 Q HN 0.422 nan 8.270 nan 0.000 0.515 175 N N 1.139 119.620 118.700 -0.365 0.000 2.672 175 N HA 0.124 4.864 4.740 -0.000 0.000 0.295 175 N C -2.220 173.223 175.510 -0.113 0.000 1.924 175 N CA -0.824 52.068 53.050 -0.264 0.000 0.851 175 N CB 1.244 39.495 38.487 -0.393 0.000 1.281 175 N HN 0.020 nan 8.380 nan 0.000 0.494 176 P HA -0.111 nan 4.420 nan 0.000 0.224 176 P C -0.329 176.973 177.300 0.004 0.000 1.142 176 P CA 1.183 64.268 63.100 -0.026 0.000 0.778 176 P CB 0.206 31.889 31.700 -0.028 0.000 0.764 177 D N 0.241 120.644 120.400 0.005 0.000 3.088 177 D HA 0.400 5.040 4.640 -0.000 0.000 0.310 177 D C -0.132 176.198 176.300 0.050 0.000 1.351 177 D CA 0.042 54.059 54.000 0.029 0.000 0.921 177 D CB -0.202 40.611 40.800 0.022 0.000 1.045 177 D HN 0.177 nan 8.370 nan 0.000 0.504 178 I N 0.563 121.173 120.570 0.067 0.000 2.667 178 I HA 0.150 4.320 4.170 -0.000 0.000 0.288 178 I C -0.672 175.512 176.117 0.112 0.000 1.267 178 I CA -1.293 60.062 61.300 0.091 0.000 1.055 178 I CB 2.062 40.124 38.000 0.104 0.000 1.294 178 I HN -0.203 nan 8.210 nan 0.000 0.429 179 V N 4.880 124.876 119.914 0.137 0.000 2.407 179 V HA 0.642 4.762 4.120 -0.000 0.000 0.278 179 V C -0.153 176.090 176.094 0.248 0.000 1.037 179 V CA -0.414 62.010 62.300 0.208 0.000 0.900 179 V CB 1.235 33.234 31.823 0.294 0.000 0.983 179 V HN 0.532 nan 8.190 nan 0.000 0.459 180 I N 4.113 124.828 120.570 0.242 0.000 2.439 180 I HA 0.416 4.586 4.170 -0.000 0.000 0.283 180 I C -1.160 175.148 176.117 0.318 0.000 1.023 180 I CA -0.522 60.918 61.300 0.234 0.000 1.100 180 I CB 1.292 39.349 38.000 0.093 0.000 1.238 180 I HN 0.562 nan 8.210 nan 0.000 0.445 181 Y N 5.347 125.761 120.300 0.191 0.000 2.595 181 Y HA 0.197 4.747 4.550 -0.000 0.000 0.347 181 Y C 0.684 176.724 175.900 0.234 0.000 1.025 181 Y CA -0.818 57.386 58.100 0.172 0.000 1.295 181 Y CB 0.972 39.496 38.460 0.106 0.000 1.147 181 Y HN 0.573 nan 8.280 nan 0.000 0.515 182 Q N 2.964 122.916 119.800 0.253 0.000 2.294 182 Q HA 0.215 4.554 4.340 -0.000 0.000 0.257 182 Q C -1.730 174.460 176.000 0.317 0.000 0.955 182 Q CA -0.628 55.321 55.803 0.244 0.000 0.936 182 Q CB 0.976 29.797 28.738 0.137 0.000 1.188 182 Q HN 0.633 nan 8.270 nan 0.000 0.420 183 Y N 5.404 125.812 120.300 0.180 0.000 2.426 183 Y HA 0.339 4.889 4.550 -0.000 0.000 0.325 183 Y C 0.071 176.028 175.900 0.096 0.000 0.989 183 Y CA -0.975 57.197 58.100 0.120 0.000 1.284 183 Y CB 0.824 39.341 38.460 0.096 0.000 1.104 183 Y HN 1.114 nan 8.280 nan 0.000 0.481 184 M N 2.119 121.580 119.600 -0.231 0.000 7.319 184 M HA -0.329 4.151 4.480 -0.000 0.000 0.313 184 M C 0.061 176.373 176.300 0.020 0.000 0.480 184 M CA 2.493 57.681 55.300 -0.188 0.000 1.311 184 M CB -0.741 31.590 32.600 -0.447 0.000 0.421 184 M HN 0.758 nan 8.290 nan 0.000 0.747 185 D N 1.047 121.350 120.400 -0.161 0.000 3.060 185 D HA 0.186 4.826 4.640 -0.000 0.000 0.245 185 D C -0.673 175.646 176.300 0.032 0.000 1.274 185 D CA 0.291 54.235 54.000 -0.093 0.000 0.864 185 D CB -0.568 40.020 40.800 -0.354 0.000 1.073 185 D HN 0.545 nan 8.370 nan 0.000 0.473 186 D N 0.763 121.235 120.400 0.121 0.000 2.947 186 D HA 0.268 4.907 4.640 -0.000 0.000 0.224 186 D C -1.239 175.191 176.300 0.217 0.000 1.230 186 D CA -0.551 53.547 54.000 0.164 0.000 0.871 186 D CB 2.084 43.005 40.800 0.201 0.000 1.671 186 D HN 0.106 nan 8.370 nan 0.000 0.507 187 L N 3.613 124.935 121.223 0.165 0.000 2.349 187 L HA 0.354 4.694 4.340 -0.000 0.000 0.278 187 L C -0.985 175.950 176.870 0.109 0.000 0.996 187 L CA -1.136 53.792 54.840 0.146 0.000 0.825 187 L CB 1.878 43.964 42.059 0.044 0.000 1.243 187 L HN 0.410 nan 8.230 nan 0.000 0.412 188 Y N 4.496 124.804 120.300 0.014 0.000 2.335 188 Y HA 0.620 5.170 4.550 -0.000 0.000 0.339 188 Y C -0.950 174.855 175.900 -0.159 0.000 0.987 188 Y CA -0.734 57.241 58.100 -0.209 0.000 1.140 188 Y CB 1.287 39.427 38.460 -0.534 0.000 1.173 188 Y HN 0.236 nan 8.280 nan 0.000 0.486 189 V N 5.697 125.181 119.914 -0.716 0.000 2.540 189 V HA 0.897 5.017 4.120 -0.000 0.000 0.302 189 V C 0.103 175.812 176.094 -0.642 0.000 1.035 189 V CA -0.407 61.602 62.300 -0.484 0.000 0.873 189 V CB 1.354 32.996 31.823 -0.302 0.000 0.992 189 V HN 1.040 nan 8.190 nan 0.000 0.428 190 G N 2.101 110.704 108.800 -0.328 0.000 2.706 190 G HA2 0.797 4.757 3.960 -0.000 0.000 0.297 190 G HA3 0.797 4.757 3.960 -0.000 0.000 0.297 190 G C -0.898 174.054 174.900 0.086 0.000 1.403 190 G CA -0.079 44.946 45.100 -0.125 0.000 0.954 190 G HN 1.136 nan 8.290 nan 0.000 0.500 191 S N -0.437 115.360 115.700 0.162 0.000 2.615 191 S HA 0.520 4.990 4.470 -0.000 0.000 0.269 191 S C -1.265 173.389 174.600 0.091 0.000 1.161 191 S CA -0.805 57.482 58.200 0.145 0.000 0.817 191 S CB 2.251 65.575 63.200 0.207 0.000 1.131 191 S HN 0.289 nan 8.310 nan 0.000 0.467 192 D N 1.138 121.583 120.400 0.075 0.000 2.706 192 D HA 0.370 5.010 4.640 -0.000 0.000 0.236 192 D C 0.274 176.602 176.300 0.046 0.000 1.231 192 D CA 0.064 54.092 54.000 0.047 0.000 0.828 192 D CB -0.189 40.636 40.800 0.042 0.000 1.015 192 D HN 0.409 nan 8.370 nan 0.000 0.484 193 L N -0.179 121.085 121.223 0.069 0.000 2.544 193 L HA 0.352 4.692 4.340 -0.000 0.000 0.256 193 L C 0.871 177.764 176.870 0.037 0.000 1.097 193 L CA -0.988 53.896 54.840 0.073 0.000 0.812 193 L CB 0.590 42.729 42.059 0.133 0.000 1.440 193 L HN -0.219 nan 8.230 nan 0.000 0.496 194 E N 0.864 121.092 120.200 0.048 0.000 2.283 194 E HA 0.148 4.498 4.350 -0.000 0.000 0.278 194 E C 1.035 177.659 176.600 0.039 0.000 1.027 194 E CA -0.526 55.891 56.400 0.029 0.000 0.843 194 E CB 1.372 31.092 29.700 0.033 0.000 1.062 194 E HN 0.364 nan 8.360 nan 0.000 0.401 195 I N 1.822 122.395 120.570 0.006 0.000 2.707 195 I HA -0.245 3.925 4.170 -0.000 0.000 0.266 195 I C 1.585 177.745 176.117 0.071 0.000 1.215 195 I CA 1.474 62.782 61.300 0.013 0.000 1.442 195 I CB -1.535 36.469 38.000 0.006 0.000 1.108 195 I HN 0.538 nan 8.210 nan 0.000 0.464 196 G N 0.119 108.961 108.800 0.070 0.000 2.599 196 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.210 196 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.210 196 G C 1.432 176.384 174.900 0.087 0.000 1.177 196 G CA -0.013 45.130 45.100 0.070 0.000 0.835 196 G HN 0.380 nan 8.290 nan 0.000 0.575 197 Q N -0.283 119.568 119.800 0.085 0.000 2.135 197 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 197 Q C 2.164 178.230 176.000 0.110 0.000 0.981 197 Q CA 1.457 57.309 55.803 0.082 0.000 0.856 197 Q CB -0.317 28.463 28.738 0.071 0.000 0.902 197 Q HN 0.639 nan 8.270 nan 0.000 0.425 198 H N 1.241 120.326 119.070 0.025 0.000 2.255 198 H HA -0.178 4.378 4.556 -0.000 0.000 0.290 198 H C 2.057 177.397 175.328 0.019 0.000 1.087 198 H CA 2.292 58.352 56.048 0.020 0.000 1.213 198 H CB 0.197 29.966 29.762 0.012 0.000 1.349 198 H HN 0.048 nan 8.280 nan 0.000 0.487 199 R N -0.583 119.991 120.500 0.124 0.000 2.096 199 R HA -0.099 4.241 4.340 -0.000 0.000 0.240 199 R C 2.474 178.783 176.300 0.016 0.000 1.139 199 R CA 1.663 57.788 56.100 0.042 0.000 0.952 199 R CB -1.492 28.848 30.300 0.067 0.000 0.854 199 R HN 0.411 nan 8.270 nan 0.000 0.436 200 T N 1.345 115.923 114.554 0.041 0.000 2.848 200 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 200 T C 1.718 176.442 174.700 0.039 0.000 1.081 200 T CA 1.854 63.978 62.100 0.039 0.000 1.125 200 T CB -0.052 68.843 68.868 0.045 0.000 0.848 200 T HN 0.113 nan 8.240 nan 0.000 0.503 201 K N 0.443 120.854 120.400 0.019 0.000 2.108 201 K HA 0.271 4.590 4.320 -0.000 0.000 0.204 201 K C 2.057 178.655 176.600 -0.003 0.000 1.036 201 K CA 0.194 56.506 56.287 0.042 0.000 0.965 201 K CB -0.445 32.068 32.500 0.022 0.000 0.804 201 K HN 0.052 nan 8.250 nan 0.000 0.454 202 I N 1.901 122.393 120.570 -0.130 0.000 2.181 202 I HA -0.306 3.864 4.170 -0.000 0.000 0.247 202 I C 2.104 178.167 176.117 -0.091 0.000 1.081 202 I CA 1.668 62.865 61.300 -0.172 0.000 1.340 202 I CB -0.866 37.010 38.000 -0.207 0.000 1.036 202 I HN 0.346 nan 8.210 nan 0.000 0.417 203 E N 1.315 121.494 120.200 -0.035 0.000 2.017 203 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 203 E C 2.120 178.733 176.600 0.022 0.000 0.997 203 E CA 1.831 58.230 56.400 -0.001 0.000 0.804 203 E CB -0.380 29.331 29.700 0.018 0.000 0.757 203 E HN 0.446 nan 8.360 nan 0.000 0.448 204 E N -0.452 119.784 120.200 0.059 0.000 2.187 204 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 204 E C 2.100 178.780 176.600 0.134 0.000 1.004 204 E CA 1.312 57.790 56.400 0.129 0.000 0.813 204 E CB -0.222 29.594 29.700 0.194 0.000 0.736 204 E HN 0.346 nan 8.360 nan 0.000 0.468 205 L N 0.433 121.640 121.223 -0.027 0.000 2.023 205 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 205 L C 2.518 179.328 176.870 -0.101 0.000 1.073 205 L CA 1.370 56.038 54.840 -0.285 0.000 0.745 205 L CB -0.131 41.602 42.059 -0.543 0.000 0.900 205 L HN -0.035 nan 8.230 nan 0.000 0.435 206 R N -0.700 119.765 120.500 -0.059 0.000 2.117 206 R HA -0.200 4.140 4.340 -0.000 0.000 0.243 206 R C 2.183 178.518 176.300 0.059 0.000 1.143 206 R CA 1.808 57.906 56.100 -0.002 0.000 0.968 206 R CB -0.389 29.909 30.300 -0.004 0.000 0.863 206 R HN 0.529 nan 8.270 nan 0.000 0.444 207 Q N -0.841 119.003 119.800 0.073 0.000 2.488 207 Q HA -0.123 4.217 4.340 -0.000 0.000 0.211 207 Q C 1.634 177.719 176.000 0.142 0.000 0.967 207 Q CA 0.588 56.444 55.803 0.089 0.000 0.926 207 Q CB 0.122 28.906 28.738 0.076 0.000 0.992 207 Q HN 0.466 nan 8.270 nan 0.000 0.506 208 H N 0.322 119.438 119.070 0.078 0.000 2.451 208 H HA 0.075 4.631 4.556 -0.000 0.000 0.294 208 H C 1.710 177.187 175.328 0.248 0.000 1.028 208 H CA 0.673 56.820 56.048 0.165 0.000 1.349 208 H CB 0.296 30.151 29.762 0.155 0.000 1.444 208 H HN 0.201 nan 8.280 nan 0.000 0.538 209 L N 0.196 121.642 121.223 0.373 0.000 2.131 209 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 209 L C 2.672 179.695 176.870 0.256 0.000 1.087 209 L CA 0.489 55.526 54.840 0.328 0.000 0.767 209 L CB -0.395 41.762 42.059 0.163 0.000 0.917 209 L HN 0.170 nan 8.230 nan 0.000 0.441 210 L N 0.980 122.299 121.223 0.160 0.000 2.079 210 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 210 L C 3.112 180.020 176.870 0.064 0.000 1.081 210 L CA 2.271 57.172 54.840 0.101 0.000 0.752 210 L CB -0.741 41.357 42.059 0.065 0.000 0.896 210 L HN 0.176 nan 8.230 nan 0.000 0.433 211 R N -1.109 119.409 120.500 0.029 0.000 2.120 211 R HA -0.205 4.135 4.340 -0.000 0.000 0.234 211 R C 1.670 177.841 176.300 -0.215 0.000 1.123 211 R CA 1.991 58.007 56.100 -0.140 0.000 0.975 211 R CB -2.147 28.003 30.300 -0.249 0.000 0.866 211 R HN 0.720 nan 8.270 nan 0.000 0.446 212 W N -1.053 120.235 121.300 -0.019 0.000 3.388 212 W HA 0.409 5.069 4.660 -0.000 0.000 0.324 212 W C 1.534 178.071 176.519 0.029 0.000 1.250 212 W CA 0.498 57.845 57.345 0.003 0.000 1.809 212 W CB 0.524 29.996 29.460 0.021 0.000 1.083 212 W HN 0.603 nan 8.180 nan 0.000 0.685 213 G N -0.412 108.511 108.800 0.206 0.000 2.213 213 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.236 213 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.236 213 G C 0.006 175.013 174.900 0.179 0.000 0.991 213 G CA -0.385 44.817 45.100 0.170 0.000 0.629 213 G HN -0.016 nan 8.290 nan 0.000 0.517 214 L N 2.632 123.975 121.223 0.201 0.000 2.342 214 L HA 0.427 4.766 4.340 -0.000 0.000 0.285 214 L C 1.211 178.163 176.870 0.137 0.000 1.095 214 L CA 0.838 55.785 54.840 0.179 0.000 0.843 214 L CB 0.120 42.284 42.059 0.174 0.000 1.201 214 L HN 0.362 nan 8.230 nan 0.000 0.445 215 T N 1.390 116.017 114.554 0.122 0.000 2.752 215 T HA 0.222 4.572 4.350 -0.000 0.000 0.295 215 T C 0.606 175.349 174.700 0.072 0.000 0.923 215 T CA -0.461 61.691 62.100 0.088 0.000 1.112 215 T CB -0.014 68.901 68.868 0.078 0.000 0.884 215 T HN 0.657 nan 8.240 nan 0.000 0.525 216 T N 4.532 119.120 114.554 0.057 0.000 3.400 216 T HA 0.468 4.818 4.350 -0.000 0.000 0.364 216 T C -2.392 172.327 174.700 0.032 0.000 1.636 216 T CA -1.583 60.542 62.100 0.042 0.000 1.211 216 T CB -0.021 68.865 68.868 0.029 0.000 1.180 216 T HN 0.444 nan 8.240 nan 0.000 0.730 217 P HA 0.100 nan 4.420 nan 0.000 0.272 217 P C -0.025 177.287 177.300 0.019 0.000 1.243 217 P CA -0.344 62.769 63.100 0.022 0.000 0.803 217 P CB 0.452 32.161 31.700 0.015 0.000 0.974 218 D N 0.947 121.356 120.400 0.015 0.000 2.619 218 D HA 0.065 4.705 4.640 -0.000 0.000 0.224 218 D C 0.316 176.620 176.300 0.007 0.000 1.133 218 D CA 0.322 54.329 54.000 0.012 0.000 1.017 218 D CB -0.317 40.489 40.800 0.011 0.000 1.077 218 D HN 0.414 nan 8.370 nan 0.000 0.503 219 K N -0.003 120.405 120.400 0.013 0.000 3.365 219 K HA 0.183 4.503 4.320 -0.000 0.000 0.187 219 K C -0.706 175.921 176.600 0.044 0.000 1.062 219 K CA -0.895 55.396 56.287 0.006 0.000 0.882 219 K CB 0.172 32.676 32.500 0.006 0.000 0.750 219 K HN -0.145 nan 8.250 nan 0.000 0.479 220 K N -0.018 120.412 120.400 0.050 0.000 2.259 220 K HA 0.369 4.689 4.320 -0.000 0.000 0.252 220 K C -0.979 175.696 176.600 0.125 0.000 0.936 220 K CA -0.670 55.688 56.287 0.118 0.000 0.810 220 K CB 0.714 33.242 32.500 0.047 0.000 1.143 220 K HN 0.235 nan 8.250 nan 0.000 0.427 221 H N 2.403 121.426 119.070 -0.079 0.000 2.723 221 H HA 0.113 4.669 4.556 -0.000 0.000 0.294 221 H C -0.636 174.624 175.328 -0.114 0.000 1.079 221 H CA -0.807 55.203 56.048 -0.065 0.000 1.411 221 H CB 0.993 30.685 29.762 -0.116 0.000 1.439 221 H HN 0.701 nan 8.280 nan 0.000 0.474 222 Q N 2.319 122.208 119.800 0.148 0.000 2.330 222 Q HA 0.264 4.604 4.340 -0.000 0.000 0.269 222 Q C -0.486 175.654 176.000 0.235 0.000 1.022 222 Q CA -1.336 54.548 55.803 0.135 0.000 0.796 222 Q CB 1.816 30.606 28.738 0.087 0.000 1.271 222 Q HN 0.607 nan 8.270 nan 0.000 0.450 223 K N 1.197 121.783 120.400 0.309 0.000 3.010 223 K HA -0.278 4.042 4.320 -0.000 0.000 0.255 223 K C -0.483 176.254 176.600 0.228 0.000 0.929 223 K CA 1.604 58.041 56.287 0.250 0.000 0.687 223 K CB -1.375 31.200 32.500 0.124 0.000 1.304 223 K HN 0.808 nan 8.250 nan 0.000 0.479 224 E N 0.354 120.812 120.200 0.429 0.000 2.609 224 E HA 0.089 4.439 4.350 -0.000 0.000 0.208 224 E C -2.227 174.480 176.600 0.178 0.000 1.013 224 E CA -1.741 54.832 56.400 0.288 0.000 1.093 224 E CB 0.509 30.383 29.700 0.291 0.000 1.129 224 E HN 0.365 nan 8.360 nan 0.000 0.450 225 P HA 0.013 nan 4.420 nan 0.000 0.267 225 P C -2.508 174.677 177.300 -0.190 0.000 1.201 225 P CA -0.889 61.883 63.100 -0.547 0.000 0.775 225 P CB -0.166 31.113 31.700 -0.701 0.000 0.854 226 P HA 0.111 nan 4.420 nan 0.000 0.265 226 P C -0.573 176.773 177.300 0.078 0.000 1.193 226 P CA 0.540 63.463 63.100 -0.296 0.000 0.765 226 P CB 0.013 31.548 31.700 -0.274 0.000 0.823 227 F N 2.255 122.258 119.950 0.088 0.000 2.404 227 F HA 0.284 4.811 4.527 -0.000 0.000 0.345 227 F C 0.739 176.686 175.800 0.245 0.000 1.110 227 F CA -1.111 57.009 58.000 0.200 0.000 1.130 227 F CB 0.788 39.822 39.000 0.056 0.000 1.129 227 F HN -0.028 nan 8.300 nan 0.000 0.500 228 L N 4.109 125.681 121.223 0.580 0.000 2.288 228 L HA 0.239 4.578 4.340 -0.000 0.000 0.283 228 L C -1.102 176.026 176.870 0.431 0.000 1.072 228 L CA -0.340 54.783 54.840 0.472 0.000 0.862 228 L CB 0.189 42.509 42.059 0.435 0.000 1.245 228 L HN 0.619 nan 8.230 nan 0.000 0.432 229 W N 6.521 127.931 121.300 0.183 0.000 2.683 229 W HA 0.474 5.134 4.660 -0.000 0.000 0.329 229 W C 0.254 176.871 176.519 0.164 0.000 1.037 229 W CA -0.785 56.621 57.345 0.102 0.000 1.232 229 W CB 1.352 30.826 29.460 0.025 0.000 1.390 229 W HN 0.357 nan 8.180 nan 0.000 0.465 230 M N 4.991 124.289 119.600 -0.502 0.000 2.811 230 M HA -0.230 4.250 4.480 -0.000 0.000 0.183 230 M C 1.085 177.354 176.300 -0.051 0.000 0.618 230 M CA 2.038 57.012 55.300 -0.543 0.000 0.633 230 M CB -2.326 29.500 32.600 -1.291 0.000 2.305 230 M HN 1.520 nan 8.290 nan 0.000 0.472 231 G N -1.926 106.900 108.800 0.044 0.000 2.179 231 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.220 231 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.220 231 G C -0.302 174.598 174.900 0.000 0.000 0.990 231 G CA 0.237 45.324 45.100 -0.021 0.000 0.646 231 G HN 0.510 nan 8.290 nan 0.000 0.517 232 Y N 0.212 120.600 120.300 0.148 0.000 2.650 232 Y HA 0.756 5.306 4.550 -0.000 0.000 0.331 232 Y C 0.531 176.616 175.900 0.309 0.000 1.082 232 Y CA -1.583 56.673 58.100 0.259 0.000 1.171 232 Y CB 0.958 39.555 38.460 0.228 0.000 1.326 232 Y HN 0.083 nan 8.280 nan 0.000 0.513 233 E N 1.348 121.882 120.200 0.558 0.000 2.176 233 E HA 0.476 4.826 4.350 -0.000 0.000 0.267 233 E C -1.537 175.334 176.600 0.452 0.000 0.893 233 E CA -0.575 56.069 56.400 0.407 0.000 0.761 233 E CB 1.794 31.697 29.700 0.338 0.000 1.133 233 E HN 0.417 nan 8.360 nan 0.000 0.409 234 L N 3.835 125.245 121.223 0.312 0.000 2.265 234 L HA 0.388 4.728 4.340 -0.000 0.000 0.289 234 L C -0.420 176.474 176.870 0.040 0.000 1.033 234 L CA -0.572 54.476 54.840 0.347 0.000 0.814 234 L CB 0.424 42.700 42.059 0.361 0.000 1.203 234 L HN 0.463 nan 8.230 nan 0.000 0.423 235 H N 3.015 122.216 119.070 0.218 0.000 2.499 235 H HA 0.276 4.832 4.556 -0.000 0.000 0.340 235 H C -1.687 173.657 175.328 0.027 0.000 1.148 235 H CA -1.604 54.470 56.048 0.044 0.000 1.215 235 H CB 1.291 31.071 29.762 0.030 0.000 1.529 235 H HN 0.290 nan 8.280 nan 0.000 0.510 236 P HA -0.222 nan 4.420 nan 0.000 0.218 236 P C 0.350 177.662 177.300 0.021 0.000 1.154 236 P CA 1.654 64.778 63.100 0.040 0.000 0.872 236 P CB 0.402 32.099 31.700 -0.005 0.000 0.790 237 D N -2.505 117.873 120.400 -0.036 0.000 2.422 237 D HA 0.118 4.758 4.640 -0.000 0.000 0.218 237 D C 1.219 177.349 176.300 -0.283 0.000 1.047 237 D CA 0.820 54.744 54.000 -0.126 0.000 0.885 237 D CB 0.436 41.198 40.800 -0.064 0.000 1.035 237 D HN 0.206 nan 8.370 nan 0.000 0.502 238 K N 0.723 121.009 120.400 -0.191 0.000 2.175 238 K HA 0.649 4.969 4.320 -0.000 0.000 0.257 238 K C -1.675 175.047 176.600 0.203 0.000 1.026 238 K CA -0.928 55.271 56.287 -0.146 0.000 0.866 238 K CB 1.605 34.143 32.500 0.064 0.000 1.474 238 K HN 0.232 nan 8.250 nan 0.000 0.442 239 W N 0.564 121.971 121.300 0.179 0.000 3.372 239 W HA 0.619 5.279 4.660 -0.000 0.000 0.315 239 W C -0.639 176.063 176.519 0.304 0.000 1.223 239 W CA -0.093 57.471 57.345 0.366 0.000 1.202 239 W CB 0.585 30.320 29.460 0.458 0.000 1.367 239 W HN 1.170 nan 8.180 nan 0.000 0.531 240 T N 0.058 114.979 114.554 0.612 0.000 2.926 240 T HA 0.598 4.948 4.350 -0.000 0.000 0.289 240 T C -1.236 173.800 174.700 0.561 0.000 1.054 240 T CA -0.581 61.723 62.100 0.340 0.000 1.015 240 T CB 2.082 71.089 68.868 0.233 0.000 1.167 240 T HN 0.793 nan 8.240 nan 0.000 0.526 241 V N 2.453 122.544 119.914 0.294 0.000 2.370 241 V HA 0.413 4.533 4.120 -0.000 0.000 0.283 241 V C 0.172 176.365 176.094 0.166 0.000 1.023 241 V CA -0.606 61.813 62.300 0.199 0.000 0.857 241 V CB 0.949 32.759 31.823 -0.020 0.000 0.985 241 V HN 1.068 nan 8.190 nan 0.000 0.443 242 Q N 8.424 128.327 119.800 0.171 0.000 2.478 242 Q HA 0.071 4.411 4.340 -0.000 0.000 0.323 242 Q C -1.922 174.173 176.000 0.158 0.000 1.087 242 Q CA -0.658 55.240 55.803 0.159 0.000 1.056 242 Q CB 0.134 28.946 28.738 0.124 0.000 1.018 242 Q HN 0.640 nan 8.270 nan 0.000 0.387 243 P HA -0.219 nan 4.420 nan 0.000 0.269 243 P C -0.708 176.683 177.300 0.151 0.000 1.153 243 P CA 0.993 64.183 63.100 0.150 0.000 0.754 243 P CB 0.427 32.197 31.700 0.116 0.000 0.758 244 I N 2.927 123.605 120.570 0.178 0.000 2.382 244 I HA 0.208 4.378 4.170 -0.000 0.000 0.286 244 I C -0.204 175.984 176.117 0.119 0.000 1.002 244 I CA -1.305 60.097 61.300 0.170 0.000 1.135 244 I CB 1.639 39.793 38.000 0.257 0.000 1.288 244 I HN 0.048 nan 8.210 nan 0.000 0.448 245 V N 7.298 127.264 119.914 0.086 0.000 2.322 245 V HA 0.287 4.406 4.120 -0.000 0.000 0.258 245 V C 0.328 176.466 176.094 0.073 0.000 1.074 245 V CA -0.814 61.527 62.300 0.068 0.000 0.909 245 V CB -0.115 31.737 31.823 0.048 0.000 1.090 245 V HN 0.662 nan 8.190 nan 0.000 0.486 246 L N 3.062 124.330 121.223 0.076 0.000 2.513 246 L HA 0.464 4.804 4.340 -0.000 0.000 0.272 246 L C -2.205 174.734 176.870 0.114 0.000 1.187 246 L CA -1.296 53.595 54.840 0.085 0.000 0.895 246 L CB -0.816 41.278 42.059 0.059 0.000 1.147 246 L HN 0.298 nan 8.230 nan 0.000 0.483 247 P HA 0.108 nan 4.420 nan 0.000 0.276 247 P C -0.231 177.308 177.300 0.397 0.000 1.253 247 P CA -0.146 63.087 63.100 0.221 0.000 0.766 247 P CB 0.664 32.525 31.700 0.267 0.000 0.845 248 E N 1.932 122.291 120.200 0.265 0.000 2.548 248 E HA 0.121 4.471 4.350 -0.000 0.000 0.206 248 E C -0.113 176.562 176.600 0.125 0.000 1.005 248 E CA -0.557 56.039 56.400 0.327 0.000 0.951 248 E CB 0.152 29.952 29.700 0.166 0.000 1.035 248 E HN 0.288 nan 8.360 nan 0.000 0.470 249 K N 1.910 122.164 120.400 -0.243 0.000 2.544 249 K HA -0.145 4.175 4.320 -0.000 0.000 0.274 249 K C 0.515 176.752 176.600 -0.605 0.000 0.962 249 K CA 1.036 57.011 56.287 -0.520 0.000 0.946 249 K CB 0.345 32.434 32.500 -0.685 0.000 0.905 249 K HN 0.215 nan 8.250 nan 0.000 0.521 250 D N -0.017 120.132 120.400 -0.420 0.000 2.095 250 D HA -0.155 4.485 4.640 -0.000 0.000 0.192 250 D C 0.344 176.430 176.300 -0.357 0.000 0.990 250 D CA 1.287 55.121 54.000 -0.276 0.000 0.836 250 D CB -0.126 40.565 40.800 -0.182 0.000 0.979 250 D HN 0.419 nan 8.370 nan 0.000 0.447 251 S N -1.858 113.568 115.700 -0.457 0.000 2.537 251 S HA 0.581 5.050 4.470 -0.000 0.000 0.301 251 S C -1.267 172.985 174.600 -0.581 0.000 1.092 251 S CA -1.130 56.864 58.200 -0.343 0.000 1.048 251 S CB 0.952 64.062 63.200 -0.150 0.000 1.053 251 S HN 0.359 nan 8.310 nan 0.000 0.501 252 W N 1.170 122.470 121.300 -0.000 0.000 2.587 252 W HA 0.585 5.245 4.660 -0.000 0.000 0.324 252 W C 0.337 176.857 176.519 0.002 0.000 1.040 252 W CA -0.569 56.777 57.345 0.001 0.000 1.222 252 W CB 1.707 31.169 29.460 0.002 0.000 1.381 252 W HN 0.848 nan 8.180 nan 0.000 0.483 253 T N -0.458 114.210 114.554 0.189 0.000 2.918 253 T HA 0.343 4.692 4.350 -0.000 0.000 0.286 253 T C 0.638 175.417 174.700 0.132 0.000 1.026 253 T CA -0.574 61.596 62.100 0.117 0.000 1.031 253 T CB 1.799 70.700 68.868 0.055 0.000 1.046 253 T HN 0.440 nan 8.240 nan 0.000 0.479 254 V N 2.701 122.670 119.914 0.092 0.000 2.238 254 V HA -0.348 3.772 4.120 -0.000 0.000 0.253 254 V C 2.528 178.672 176.094 0.083 0.000 1.050 254 V CA 3.159 65.505 62.300 0.077 0.000 1.045 254 V CB -1.193 30.660 31.823 0.052 0.000 0.670 254 V HN 1.153 nan 8.190 nan 0.000 0.469 255 N N 0.060 118.800 118.700 0.066 0.000 2.112 255 N HA -0.301 4.439 4.740 -0.000 0.000 0.200 255 N C 1.628 177.189 175.510 0.085 0.000 1.011 255 N CA 2.791 55.877 53.050 0.060 0.000 0.891 255 N CB -0.838 37.675 38.487 0.043 0.000 1.060 255 N HN 0.746 nan 8.380 nan 0.000 0.478 256 D N 0.380 120.850 120.400 0.117 0.000 2.265 256 D HA -0.124 4.516 4.640 -0.000 0.000 0.208 256 D C 2.058 178.498 176.300 0.233 0.000 0.977 256 D CA 0.770 54.879 54.000 0.181 0.000 0.871 256 D CB -0.055 40.876 40.800 0.219 0.000 0.925 256 D HN 0.534 nan 8.370 nan 0.000 0.485 257 I N 0.499 121.174 120.570 0.174 0.000 2.233 257 I HA -0.234 3.936 4.170 -0.000 0.000 0.243 257 I C 2.623 178.778 176.117 0.063 0.000 1.093 257 I CA 0.503 61.859 61.300 0.093 0.000 1.380 257 I CB -0.498 37.532 38.000 0.049 0.000 1.067 257 I HN 0.042 nan 8.210 nan 0.000 0.413 258 C N 0.999 120.337 119.300 0.063 0.000 2.401 258 C HA -0.224 4.236 4.460 -0.000 0.000 0.276 258 C C 2.842 177.865 174.990 0.055 0.000 1.233 258 C CA 1.194 60.242 59.018 0.051 0.000 1.753 258 C CB -1.061 26.706 27.740 0.045 0.000 2.029 258 C HN 0.451 nan 8.230 nan 0.000 0.478 259 K N -0.070 120.371 120.400 0.069 0.000 2.211 259 K HA -0.130 4.190 4.320 -0.000 0.000 0.203 259 K C 1.780 178.426 176.600 0.076 0.000 1.050 259 K CA 0.909 57.236 56.287 0.067 0.000 0.945 259 K CB -0.151 32.395 32.500 0.078 0.000 0.732 259 K HN 0.403 nan 8.250 nan 0.000 0.451 260 L N -0.182 121.089 121.223 0.079 0.000 2.056 260 L HA -0.057 4.282 4.340 -0.000 0.000 0.202 260 L C 2.002 178.898 176.870 0.044 0.000 1.086 260 L CA 1.314 56.188 54.840 0.056 0.000 0.758 260 L CB -0.943 41.116 42.059 0.000 0.000 0.912 260 L HN 0.024 nan 8.230 nan 0.000 0.446 261 V N 0.532 120.462 119.914 0.027 0.000 2.226 261 V HA -0.360 3.760 4.120 -0.000 0.000 0.254 261 V C 2.322 178.456 176.094 0.066 0.000 1.065 261 V CA 2.723 65.044 62.300 0.035 0.000 1.039 261 V CB -1.440 30.401 31.823 0.030 0.000 0.653 261 V HN 0.684 nan 8.190 nan 0.000 0.450 262 G N -0.883 107.958 108.800 0.069 0.000 2.586 262 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.218 262 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.218 262 G C 1.648 176.625 174.900 0.129 0.000 1.216 262 G CA 1.277 46.430 45.100 0.088 0.000 0.786 262 G HN 0.573 nan 8.290 nan 0.000 0.583 263 K N -0.161 120.307 120.400 0.113 0.000 2.077 263 K HA -0.129 4.191 4.320 -0.000 0.000 0.213 263 K C 2.660 179.389 176.600 0.216 0.000 1.051 263 K CA 1.496 57.880 56.287 0.161 0.000 0.929 263 K CB -0.471 32.099 32.500 0.117 0.000 0.715 263 K HN 0.337 nan 8.250 nan 0.000 0.451 264 L N 1.159 122.466 121.223 0.139 0.000 1.990 264 L HA -0.303 4.036 4.340 -0.000 0.000 0.213 264 L C 2.217 179.167 176.870 0.134 0.000 1.072 264 L CA 1.364 56.274 54.840 0.117 0.000 0.755 264 L CB -0.723 41.373 42.059 0.061 0.000 0.889 264 L HN 0.281 nan 8.230 nan 0.000 0.432 265 N N -0.367 118.416 118.700 0.138 0.000 2.036 265 N HA -0.297 4.443 4.740 -0.000 0.000 0.195 265 N C 1.578 177.185 175.510 0.162 0.000 1.037 265 N CA 1.923 55.054 53.050 0.135 0.000 0.855 265 N CB -0.645 37.931 38.487 0.149 0.000 1.033 265 N HN 0.574 nan 8.380 nan 0.000 0.423 266 W N 2.090 123.413 121.300 0.038 0.000 2.313 266 W HA -0.228 4.432 4.660 -0.000 0.000 0.293 266 W C 1.840 178.384 176.519 0.041 0.000 1.216 266 W CA 1.775 59.133 57.345 0.022 0.000 1.223 266 W CB -0.107 29.351 29.460 -0.003 0.000 1.138 266 W HN 0.056 nan 8.180 nan 0.000 0.535 267 A N 0.505 123.331 122.820 0.010 0.000 1.970 267 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 267 A C 2.008 179.585 177.584 -0.012 0.000 1.170 267 A CA 1.675 53.714 52.037 0.002 0.000 0.645 267 A CB -1.051 18.097 19.000 0.247 0.000 0.816 267 A HN 0.303 nan 8.150 nan 0.000 0.447 268 S N 0.952 116.651 115.700 -0.002 0.000 2.420 268 S HA -0.309 4.161 4.470 -0.000 0.000 0.237 268 S C 1.944 176.487 174.600 -0.095 0.000 1.023 268 S CA 1.495 59.678 58.200 -0.030 0.000 0.991 268 S CB -0.636 62.545 63.200 -0.031 0.000 0.792 268 S HN 0.892 nan 8.310 nan 0.000 0.488 269 Q N 0.392 120.115 119.800 -0.129 0.000 2.297 269 Q HA -0.048 4.292 4.340 -0.000 0.000 0.208 269 Q C 1.800 177.792 176.000 -0.014 0.000 0.981 269 Q CA 1.404 57.163 55.803 -0.073 0.000 0.876 269 Q CB -0.199 28.462 28.738 -0.129 0.000 0.921 269 Q HN 0.605 nan 8.270 nan 0.000 0.446 270 I N -1.794 118.698 120.570 -0.129 0.000 4.399 270 I HA 0.166 4.336 4.170 -0.000 0.000 0.301 270 I C -0.650 175.345 176.117 -0.203 0.000 1.198 270 I CA -0.497 60.694 61.300 -0.181 0.000 1.315 270 I CB 0.712 38.511 38.000 -0.335 0.000 1.452 270 I HN -0.021 nan 8.210 nan 0.000 0.457 271 Y N 4.463 124.709 120.300 -0.091 0.000 2.674 271 Y HA 0.336 4.886 4.550 -0.000 0.000 0.354 271 Y C -2.010 173.842 175.900 -0.081 0.000 1.089 271 Y CA -2.946 55.105 58.100 -0.080 0.000 1.444 271 Y CB -1.052 37.369 38.460 -0.065 0.000 1.187 271 Y HN 0.106 nan 8.280 nan 0.000 0.523 272 P HA -0.110 nan 4.420 nan 0.000 0.265 272 P C 0.304 177.610 177.300 0.010 0.000 1.167 272 P CA 1.038 64.150 63.100 0.019 0.000 0.760 272 P CB 0.543 32.255 31.700 0.020 0.000 0.783 273 G N 3.172 111.963 108.800 -0.016 0.000 2.704 273 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.338 273 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.338 273 G C -0.534 174.361 174.900 -0.008 0.000 0.073 273 G CA -0.407 44.687 45.100 -0.011 0.000 1.219 273 G HN 0.436 nan 8.290 nan 0.000 0.578 274 I N 2.500 123.065 120.570 -0.009 0.000 2.569 274 I HA 0.387 4.557 4.170 -0.000 0.000 0.290 274 I C 0.230 176.350 176.117 0.005 0.000 1.088 274 I CA -0.910 60.388 61.300 -0.003 0.000 1.047 274 I CB 2.021 40.027 38.000 0.009 0.000 1.237 274 I HN 0.483 nan 8.210 nan 0.000 0.421 275 K N 4.106 124.505 120.400 -0.002 0.000 2.138 275 K HA 0.715 5.035 4.320 -0.000 0.000 0.263 275 K C 0.024 176.626 176.600 0.003 0.000 0.965 275 K CA -0.573 55.716 56.287 0.003 0.000 0.868 275 K CB 2.866 35.359 32.500 -0.012 0.000 1.083 275 K HN 0.354 nan 8.250 nan 0.000 0.443 276 V N 1.385 121.308 119.914 0.016 0.000 3.283 276 V HA -0.047 4.073 4.120 -0.000 0.000 0.265 276 V C 1.570 177.672 176.094 0.014 0.000 1.672 276 V CA -0.033 62.274 62.300 0.012 0.000 1.020 276 V CB 0.492 32.333 31.823 0.029 0.000 0.854 276 V HN 0.727 nan 8.190 nan 0.000 0.408 277 R N 1.878 122.394 120.500 0.027 0.000 2.140 277 R HA -0.229 4.111 4.340 -0.000 0.000 0.250 277 R C 2.045 178.349 176.300 0.006 0.000 1.150 277 R CA 2.423 58.540 56.100 0.028 0.000 0.966 277 R CB -0.406 29.914 30.300 0.033 0.000 0.869 277 R HN 0.614 nan 8.270 nan 0.000 0.445 278 Q N 0.932 120.727 119.800 -0.008 0.000 1.858 278 Q HA -0.226 4.114 4.340 -0.000 0.000 0.240 278 Q C 2.209 178.191 176.000 -0.031 0.000 1.014 278 Q CA 2.322 58.110 55.803 -0.024 0.000 0.884 278 Q CB -0.895 27.820 28.738 -0.038 0.000 0.957 278 Q HN 0.641 nan 8.270 nan 0.000 0.419 279 L N -0.895 120.299 121.223 -0.047 0.000 2.465 279 L HA 0.100 4.440 4.340 -0.000 0.000 0.224 279 L C 2.453 179.303 176.870 -0.033 0.000 1.145 279 L CA 1.077 55.880 54.840 -0.061 0.000 0.834 279 L CB -0.462 41.532 42.059 -0.107 0.000 0.944 279 L HN 0.093 nan 8.230 nan 0.000 0.451 280 S N 0.900 116.593 115.700 -0.012 0.000 2.348 280 S HA -0.167 4.303 4.470 -0.000 0.000 0.221 280 S C 2.092 176.697 174.600 0.009 0.000 1.033 280 S CA 1.267 59.472 58.200 0.007 0.000 1.010 280 S CB -0.115 63.099 63.200 0.024 0.000 0.891 280 S HN 0.390 nan 8.310 nan 0.000 0.442 281 K N 1.184 121.589 120.400 0.007 0.000 2.211 281 K HA 0.016 4.336 4.320 -0.000 0.000 0.204 281 K C 2.036 178.640 176.600 0.006 0.000 1.047 281 K CA 0.684 56.977 56.287 0.009 0.000 0.935 281 K CB -0.842 31.662 32.500 0.007 0.000 0.728 281 K HN 0.469 nan 8.250 nan 0.000 0.452 282 L N 0.720 121.942 121.223 -0.003 0.000 2.054 282 L HA -0.289 4.051 4.340 -0.000 0.000 0.220 282 L C 2.261 179.138 176.870 0.011 0.000 1.081 282 L CA 1.585 56.424 54.840 -0.002 0.000 0.780 282 L CB -0.893 41.156 42.059 -0.015 0.000 0.893 282 L HN 0.168 nan 8.230 nan 0.000 0.438 283 L N -0.613 120.618 121.223 0.014 0.000 2.141 283 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 283 L C 1.985 178.867 176.870 0.021 0.000 1.094 283 L CA 0.475 55.328 54.840 0.022 0.000 0.763 283 L CB -1.482 40.592 42.059 0.025 0.000 0.908 283 L HN 0.261 nan 8.230 nan 0.000 0.437 284 R N 1.835 122.346 120.500 0.018 0.000 2.705 284 R HA 0.388 4.728 4.340 -0.000 0.000 0.264 284 R C 0.834 177.145 176.300 0.017 0.000 0.988 284 R CA 0.690 56.800 56.100 0.018 0.000 1.103 284 R CB -1.445 28.865 30.300 0.017 0.000 0.950 284 R HN 0.655 nan 8.270 nan 0.000 0.427 285 G N -0.748 108.062 108.800 0.017 0.000 2.525 285 G HA2 0.061 4.021 3.960 -0.000 0.000 0.685 285 G HA3 0.061 4.021 3.960 -0.000 0.000 0.685 285 G C 0.332 175.242 174.900 0.017 0.000 1.290 285 G CA 0.081 45.191 45.100 0.016 0.000 0.915 285 G HN 1.484 nan 8.290 nan 0.000 0.548 286 T N 1.286 115.850 114.554 0.016 0.000 3.406 286 T HA 0.568 4.918 4.350 -0.000 0.000 0.244 286 T C 1.292 176.002 174.700 0.017 0.000 0.949 286 T CA 1.301 63.411 62.100 0.016 0.000 0.926 286 T CB -0.492 68.385 68.868 0.015 0.000 1.089 286 T HN 1.283 nan 8.240 nan 0.000 0.604 287 K N 0.857 121.268 120.400 0.019 0.000 2.323 287 K HA 0.606 4.925 4.320 -0.000 0.000 0.259 287 K C 0.928 177.540 176.600 0.021 0.000 0.993 287 K CA 0.405 56.704 56.287 0.021 0.000 0.866 287 K CB -0.437 32.077 32.500 0.024 0.000 0.997 287 K HN 0.504 nan 8.250 nan 0.000 0.524 288 A N -1.014 121.819 122.820 0.022 0.000 3.696 288 A HA 0.699 5.019 4.320 -0.000 0.000 0.156 288 A C 1.020 178.617 177.584 0.023 0.000 1.732 288 A CA 0.606 52.655 52.037 0.020 0.000 1.004 288 A CB 0.247 19.259 19.000 0.019 0.000 1.799 288 A HN 1.309 nan 8.150 nan 0.000 0.665 289 L N -2.725 118.511 121.223 0.021 0.000 3.128 289 L HA 0.257 4.597 4.340 -0.000 0.000 0.277 289 L C 1.177 178.061 176.870 0.023 0.000 1.171 289 L CA 1.648 56.502 54.840 0.023 0.000 1.008 289 L CB 0.504 42.574 42.059 0.019 0.000 1.442 289 L HN 0.644 nan 8.230 nan 0.000 0.584 290 T N -2.429 112.137 114.554 0.020 0.000 2.954 290 T HA 0.129 4.479 4.350 -0.000 0.000 0.252 290 T C 0.633 175.346 174.700 0.021 0.000 0.983 290 T CA -0.344 61.766 62.100 0.017 0.000 0.941 290 T CB 0.387 69.261 68.868 0.009 0.000 1.141 290 T HN 0.163 nan 8.240 nan 0.000 0.500 291 E N 2.650 122.864 120.200 0.023 0.000 2.708 291 E HA 0.054 4.403 4.350 -0.000 0.000 0.260 291 E C -0.327 176.295 176.600 0.036 0.000 0.937 291 E CA -0.049 56.367 56.400 0.026 0.000 0.953 291 E CB 0.500 30.216 29.700 0.026 0.000 0.915 291 E HN 0.087 nan 8.360 nan 0.000 0.487 292 V N 4.964 124.899 119.914 0.034 0.000 3.133 292 V HA 0.316 4.436 4.120 -0.000 0.000 0.305 292 V C 0.349 176.479 176.094 0.060 0.000 1.084 292 V CA -0.254 62.075 62.300 0.049 0.000 1.089 292 V CB 1.087 32.931 31.823 0.035 0.000 1.073 292 V HN 0.634 nan 8.190 nan 0.000 0.477 293 I N 3.012 123.634 120.570 0.087 0.000 2.743 293 I HA 0.549 4.719 4.170 -0.000 0.000 0.292 293 I C -2.754 173.424 176.117 0.102 0.000 1.343 293 I CA -1.856 59.492 61.300 0.080 0.000 1.038 293 I CB 2.733 40.774 38.000 0.069 0.000 1.311 293 I HN 0.528 nan 8.210 nan 0.000 0.426 294 P HA 0.271 nan 4.420 nan 0.000 0.282 294 P C -1.053 176.274 177.300 0.046 0.000 1.262 294 P CA -0.384 62.760 63.100 0.072 0.000 0.773 294 P CB 0.953 32.682 31.700 0.049 0.000 0.879 295 L N 3.818 125.067 121.223 0.043 0.000 2.385 295 L HA 0.176 4.516 4.340 -0.000 0.000 0.281 295 L C 1.230 178.086 176.870 -0.024 0.000 1.106 295 L CA 0.773 55.596 54.840 -0.029 0.000 0.856 295 L CB -0.381 41.613 42.059 -0.108 0.000 1.186 295 L HN 0.391 nan 8.230 nan 0.000 0.453 296 T N 1.710 116.246 114.554 -0.029 0.000 2.701 296 T HA 0.051 4.401 4.350 -0.000 0.000 0.303 296 T C 1.255 175.936 174.700 -0.032 0.000 1.030 296 T CA -0.594 61.492 62.100 -0.022 0.000 1.010 296 T CB 0.829 69.685 68.868 -0.020 0.000 1.007 296 T HN 0.489 nan 8.240 nan 0.000 0.532 297 E N 0.676 120.861 120.200 -0.024 0.000 2.158 297 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 297 E C 1.974 178.555 176.600 -0.033 0.000 0.982 297 E CA 0.763 57.147 56.400 -0.027 0.000 0.823 297 E CB 0.006 29.695 29.700 -0.019 0.000 0.766 297 E HN 0.666 nan 8.360 nan 0.000 0.468 298 E N 0.236 120.418 120.200 -0.030 0.000 2.478 298 E HA -0.034 4.316 4.350 -0.000 0.000 0.198 298 E C 1.359 177.935 176.600 -0.039 0.000 1.046 298 E CA 0.595 56.977 56.400 -0.031 0.000 0.870 298 E CB 0.230 29.915 29.700 -0.025 0.000 0.818 298 E HN 0.100 nan 8.360 nan 0.000 0.527 299 A N 0.408 123.199 122.820 -0.048 0.000 2.324 299 A HA 0.051 4.371 4.320 -0.000 0.000 0.220 299 A C 1.833 179.362 177.584 -0.092 0.000 1.209 299 A CA -0.113 51.883 52.037 -0.068 0.000 0.918 299 A CB 0.466 19.424 19.000 -0.071 0.000 0.959 299 A HN -0.076 nan 8.150 nan 0.000 0.507 300 E N 0.044 120.199 120.200 -0.075 0.000 2.086 300 E HA 0.001 4.351 4.350 -0.000 0.000 0.190 300 E C 2.387 178.945 176.600 -0.070 0.000 0.975 300 E CA 1.278 57.630 56.400 -0.081 0.000 0.813 300 E CB -0.455 29.212 29.700 -0.054 0.000 0.768 300 E HN 0.503 nan 8.360 nan 0.000 0.457 301 L N 1.239 122.430 121.223 -0.054 0.000 2.131 301 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 301 L C 2.494 179.331 176.870 -0.055 0.000 1.092 301 L CA 2.839 57.651 54.840 -0.047 0.000 0.759 301 L CB -2.157 39.879 42.059 -0.039 0.000 0.903 301 L HN 0.338 nan 8.230 nan 0.000 0.435 302 E N 0.103 120.266 120.200 -0.062 0.000 2.002 302 E HA -0.270 4.080 4.350 -0.000 0.000 0.205 302 E C 2.246 178.800 176.600 -0.077 0.000 1.020 302 E CA 1.792 58.153 56.400 -0.065 0.000 0.856 302 E CB -1.177 28.481 29.700 -0.070 0.000 0.788 302 E HN 0.888 nan 8.360 nan 0.000 0.477 303 L N 1.005 122.165 121.223 -0.105 0.000 2.011 303 L HA -0.200 4.140 4.340 -0.000 0.000 0.225 303 L C 2.770 179.590 176.870 -0.084 0.000 1.084 303 L CA 3.478 58.248 54.840 -0.118 0.000 0.791 303 L CB -1.171 40.782 42.059 -0.177 0.000 0.898 303 L HN 0.484 nan 8.230 nan 0.000 0.440 304 A N -1.054 121.724 122.820 -0.071 0.000 1.873 304 A HA -0.317 4.003 4.320 -0.000 0.000 0.218 304 A C 2.351 179.902 177.584 -0.054 0.000 1.193 304 A CA 2.091 54.097 52.037 -0.053 0.000 0.629 304 A CB -0.923 18.051 19.000 -0.042 0.000 0.826 304 A HN 0.679 nan 8.150 nan 0.000 0.447 305 E N -0.255 119.912 120.200 -0.054 0.000 2.110 305 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 305 E C 1.860 178.422 176.600 -0.064 0.000 0.988 305 E CA 1.327 57.695 56.400 -0.053 0.000 0.804 305 E CB -0.192 29.481 29.700 -0.047 0.000 0.745 305 E HN 0.805 nan 8.360 nan 0.000 0.458 306 N N 0.020 118.680 118.700 -0.067 0.000 2.022 306 N HA -0.147 4.592 4.740 -0.000 0.000 0.194 306 N C 1.871 177.321 175.510 -0.101 0.000 1.057 306 N CA 1.138 54.142 53.050 -0.077 0.000 0.849 306 N CB -0.137 38.310 38.487 -0.067 0.000 1.044 306 N HN 0.026 nan 8.380 nan 0.000 0.424 307 R N 1.066 121.513 120.500 -0.088 0.000 2.178 307 R HA -0.203 4.137 4.340 -0.000 0.000 0.257 307 R C 1.935 178.167 176.300 -0.112 0.000 1.163 307 R CA 1.159 57.204 56.100 -0.091 0.000 0.981 307 R CB -0.330 29.935 30.300 -0.057 0.000 0.878 307 R HN 0.362 nan 8.270 nan 0.000 0.454 308 E N 0.884 121.028 120.200 -0.094 0.000 2.013 308 E HA -0.206 4.144 4.350 -0.000 0.000 0.202 308 E C 2.061 178.583 176.600 -0.129 0.000 1.018 308 E CA 1.605 57.950 56.400 -0.092 0.000 0.834 308 E CB -0.315 29.342 29.700 -0.071 0.000 0.770 308 E HN 0.329 nan 8.360 nan 0.000 0.459 309 I N 1.029 121.514 120.570 -0.141 0.000 2.118 309 I HA -0.303 3.867 4.170 -0.000 0.000 0.241 309 I C 2.809 178.715 176.117 -0.352 0.000 1.070 309 I CA 1.030 62.223 61.300 -0.179 0.000 1.327 309 I CB -0.485 37.431 38.000 -0.140 0.000 1.034 309 I HN 0.110 nan 8.210 nan 0.000 0.405 310 L N 1.311 122.246 121.223 -0.480 0.000 2.261 310 L HA -0.273 4.067 4.340 -0.000 0.000 0.216 310 L C 2.935 179.500 176.870 -0.509 0.000 1.114 310 L CA 1.884 56.221 54.840 -0.838 0.000 0.777 310 L CB -0.463 41.287 42.059 -0.515 0.000 0.910 310 L HN 0.285 nan 8.230 nan 0.000 0.440 311 K N 0.347 120.588 120.400 -0.265 0.000 2.103 311 K HA 0.061 4.381 4.320 -0.000 0.000 0.204 311 K C 1.055 177.597 176.600 -0.096 0.000 1.052 311 K CA 1.207 57.412 56.287 -0.137 0.000 0.945 311 K CB -1.305 31.140 32.500 -0.091 0.000 0.722 311 K HN 0.577 nan 8.250 nan 0.000 0.443 312 E N 2.517 122.653 120.200 -0.107 0.000 2.257 312 E HA 0.415 4.765 4.350 -0.000 0.000 0.278 312 E C -2.605 174.012 176.600 0.027 0.000 1.049 312 E CA -2.266 54.109 56.400 -0.042 0.000 0.876 312 E CB -0.205 29.469 29.700 -0.043 0.000 1.035 312 E HN 0.460 nan 8.360 nan 0.000 0.419 313 P HA 0.267 nan 4.420 nan 0.000 0.267 313 P C -0.363 177.007 177.300 0.115 0.000 1.205 313 P CA -0.074 63.090 63.100 0.107 0.000 0.765 313 P CB 1.014 32.737 31.700 0.038 0.000 0.828 314 V N 0.759 120.767 119.914 0.156 0.000 3.181 314 V HA 0.837 4.957 4.120 -0.000 0.000 0.308 314 V C -1.063 175.039 176.094 0.012 0.000 1.214 314 V CA -0.751 61.608 62.300 0.098 0.000 1.053 314 V CB 2.510 34.375 31.823 0.071 0.000 1.069 314 V HN 0.786 nan 8.190 nan 0.000 0.441 315 H N 0.146 119.050 119.070 -0.277 0.000 3.017 315 H HA 0.842 5.398 4.556 -0.000 0.000 0.346 315 H C -0.447 174.536 175.328 -0.575 0.000 1.286 315 H CA -0.353 55.430 56.048 -0.442 0.000 1.120 315 H CB 1.532 31.086 29.762 -0.346 0.000 1.860 315 H HN 1.203 nan 8.280 nan 0.000 0.542 316 G N -0.161 107.932 108.800 -1.178 0.000 2.597 316 G HA2 0.546 4.506 3.960 -0.000 0.000 0.317 316 G HA3 0.546 4.506 3.960 -0.000 0.000 0.317 316 G C -1.091 173.372 174.900 -0.727 0.000 1.230 316 G CA -0.338 44.098 45.100 -1.107 0.000 0.996 316 G HN 0.557 nan 8.290 nan 0.000 0.490 317 V N -1.241 118.622 119.914 -0.085 0.000 3.182 317 V HA 0.684 4.804 4.120 -0.000 0.000 0.311 317 V C -1.024 175.450 176.094 0.634 0.000 1.221 317 V CA -1.196 61.190 62.300 0.142 0.000 1.060 317 V CB 1.844 33.688 31.823 0.035 0.000 1.164 317 V HN 0.663 nan 8.190 nan 0.000 0.466 318 Y N 0.590 121.094 120.300 0.341 0.000 2.403 318 Y HA 0.377 4.927 4.550 -0.000 0.000 0.323 318 Y C -0.498 175.581 175.900 0.297 0.000 1.226 318 Y CA -0.764 57.518 58.100 0.304 0.000 1.235 318 Y CB 1.251 39.832 38.460 0.202 0.000 1.248 318 Y HN 0.674 nan 8.280 nan 0.000 0.489 319 Y N 2.348 122.864 120.300 0.360 0.000 2.346 319 Y HA 0.104 4.654 4.550 -0.000 0.000 0.330 319 Y C -0.450 175.545 175.900 0.158 0.000 1.178 319 Y CA -0.956 57.291 58.100 0.246 0.000 1.331 319 Y CB 0.687 39.378 38.460 0.386 0.000 1.253 319 Y HN 0.494 nan 8.280 nan 0.000 0.529 320 D N 7.670 127.783 120.400 -0.478 0.000 2.481 320 D HA 0.278 4.918 4.640 -0.000 0.000 0.246 320 D C -2.357 173.361 176.300 -0.969 0.000 1.109 320 D CA -2.134 51.545 54.000 -0.536 0.000 0.845 320 D CB 2.490 43.167 40.800 -0.203 0.000 1.160 320 D HN 0.308 nan 8.370 nan 0.000 0.534 321 P HA -0.217 nan 4.420 nan 0.000 0.205 321 P C 1.581 178.744 177.300 -0.228 0.000 1.164 321 P CA 2.123 64.901 63.100 -0.536 0.000 0.938 321 P CB 0.018 31.581 31.700 -0.229 0.000 0.777 322 S N -0.010 115.600 115.700 -0.150 0.000 2.406 322 S HA -0.261 4.209 4.470 -0.000 0.000 0.242 322 S C 0.812 175.365 174.600 -0.078 0.000 1.079 322 S CA 1.558 59.706 58.200 -0.085 0.000 1.133 322 S CB -1.655 61.501 63.200 -0.073 0.000 1.005 322 S HN 0.225 nan 8.310 nan 0.000 0.443 323 K N 3.689 124.027 120.400 -0.104 0.000 2.237 323 K HA 0.154 4.474 4.320 -0.000 0.000 0.283 323 K C -0.444 176.112 176.600 -0.073 0.000 1.080 323 K CA 0.039 56.276 56.287 -0.084 0.000 0.965 323 K CB -0.180 32.271 32.500 -0.081 0.000 1.098 323 K HN 0.547 nan 8.250 nan 0.000 0.434 324 D N 1.536 121.893 120.400 -0.072 0.000 2.383 324 D HA -0.101 4.539 4.640 -0.000 0.000 0.233 324 D C 0.133 176.335 176.300 -0.164 0.000 1.233 324 D CA -0.316 53.631 54.000 -0.088 0.000 0.881 324 D CB 0.439 41.182 40.800 -0.096 0.000 1.212 324 D HN 0.009 nan 8.370 nan 0.000 0.467 325 L N -0.221 120.855 121.223 -0.245 0.000 2.456 325 L HA 0.505 4.845 4.340 -0.000 0.000 0.257 325 L C 0.057 176.651 176.870 -0.460 0.000 1.162 325 L CA -0.289 54.309 54.840 -0.404 0.000 0.808 325 L CB 0.417 42.150 42.059 -0.543 0.000 1.136 325 L HN 0.496 nan 8.230 nan 0.000 0.466 326 I N 0.994 121.207 120.570 -0.594 0.000 2.649 326 I HA 0.528 4.698 4.170 -0.000 0.000 0.289 326 I C -1.002 174.719 176.117 -0.660 0.000 1.222 326 I CA -0.573 60.302 61.300 -0.710 0.000 1.046 326 I CB 1.977 39.348 38.000 -1.049 0.000 1.272 326 I HN 0.584 nan 8.210 nan 0.000 0.425 327 A N 5.251 127.779 122.820 -0.488 0.000 2.311 327 A HA 0.639 4.959 4.320 -0.000 0.000 0.306 327 A C -0.837 176.827 177.584 0.135 0.000 1.189 327 A CA -0.466 51.477 52.037 -0.157 0.000 0.791 327 A CB 1.272 20.125 19.000 -0.245 0.000 1.172 327 A HN 0.730 nan 8.150 nan 0.000 0.481 328 E N 2.693 123.061 120.200 0.280 0.000 2.166 328 E HA 0.507 4.857 4.350 -0.000 0.000 0.275 328 E C -0.854 175.955 176.600 0.349 0.000 0.941 328 E CA -0.593 56.005 56.400 0.329 0.000 0.784 328 E CB 0.942 30.864 29.700 0.371 0.000 1.115 328 E HN 0.579 nan 8.360 nan 0.000 0.399 329 I N 2.659 123.418 120.570 0.314 0.000 2.525 329 I HA 0.330 4.499 4.170 -0.000 0.000 0.301 329 I C -0.041 176.267 176.117 0.319 0.000 0.992 329 I CA -0.598 60.899 61.300 0.329 0.000 1.162 329 I CB 1.397 39.547 38.000 0.249 0.000 1.332 329 I HN 0.553 nan 8.210 nan 0.000 0.458 330 Q N 2.865 122.867 119.800 0.337 0.000 2.372 330 Q HA 0.373 4.713 4.340 -0.000 0.000 0.273 330 Q C -0.561 175.548 176.000 0.181 0.000 1.078 330 Q CA -0.999 54.944 55.803 0.233 0.000 0.806 330 Q CB 3.376 32.215 28.738 0.168 0.000 1.332 330 Q HN 0.329 nan 8.270 nan 0.000 0.435 331 K N 1.633 122.032 120.400 -0.000 0.000 2.219 331 K HA 0.238 4.558 4.320 -0.000 0.000 0.258 331 K C -0.294 176.157 176.600 -0.248 0.000 1.008 331 K CA 0.318 56.404 56.287 -0.334 0.000 0.928 331 K CB 0.857 33.183 32.500 -0.290 0.000 0.983 331 K HN 0.588 nan 8.250 nan 0.000 0.484 332 Q N -0.629 118.942 119.800 -0.381 0.000 3.110 332 Q HA 0.367 4.707 4.340 -0.000 0.000 0.360 332 Q C 0.295 176.173 176.000 -0.203 0.000 0.820 332 Q CA -0.811 54.869 55.803 -0.206 0.000 0.845 332 Q CB -0.164 28.495 28.738 -0.131 0.000 1.357 332 Q HN 0.763 nan 8.270 nan 0.000 0.480 333 G N 0.511 109.236 108.800 -0.125 0.000 2.593 333 G HA2 0.032 3.992 3.960 -0.000 0.000 0.279 333 G HA3 0.032 3.992 3.960 -0.000 0.000 0.279 333 G C -0.310 174.520 174.900 -0.117 0.000 1.329 333 G CA -0.020 45.021 45.100 -0.097 0.000 1.036 333 G HN 0.273 nan 8.290 nan 0.000 0.555 334 Q N -0.163 119.594 119.800 -0.073 0.000 2.263 334 Q HA 0.435 4.775 4.340 -0.000 0.000 0.270 334 Q C 1.111 177.101 176.000 -0.017 0.000 1.104 334 Q CA 1.658 57.428 55.803 -0.054 0.000 0.909 334 Q CB 0.438 29.157 28.738 -0.033 0.000 1.214 334 Q HN 1.173 nan 8.270 nan 0.000 0.400 335 G N 2.614 111.411 108.800 -0.005 0.000 2.490 335 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.214 335 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.214 335 G C 0.036 175.030 174.900 0.157 0.000 1.151 335 G CA -0.084 45.080 45.100 0.107 0.000 0.684 335 G HN 0.561 nan 8.290 nan 0.000 0.518 336 Q N -0.495 119.328 119.800 0.038 0.000 2.474 336 Q HA 0.460 4.800 4.340 -0.000 0.000 0.256 336 Q C -0.615 175.367 176.000 -0.030 0.000 1.048 336 Q CA 0.483 56.336 55.803 0.084 0.000 0.922 336 Q CB 0.503 29.254 28.738 0.021 0.000 1.288 336 Q HN 0.532 nan 8.270 nan 0.000 0.484 337 W N -0.785 120.580 121.300 0.109 0.000 3.248 337 W HA 0.363 5.023 4.660 -0.000 0.000 0.311 337 W C -1.017 175.569 176.519 0.111 0.000 1.258 337 W CA -0.387 57.033 57.345 0.126 0.000 1.191 337 W CB 1.918 31.488 29.460 0.184 0.000 1.389 337 W HN 0.366 nan 8.180 nan 0.000 0.561 338 T N 1.715 116.506 114.554 0.395 0.000 2.896 338 T HA 0.694 5.044 4.350 -0.000 0.000 0.297 338 T C -1.737 173.151 174.700 0.312 0.000 1.108 338 T CA -0.723 61.507 62.100 0.217 0.000 1.004 338 T CB 1.875 70.799 68.868 0.094 0.000 1.159 338 T HN 0.314 nan 8.240 nan 0.000 0.499 339 Y N -0.447 119.923 120.300 0.117 0.000 2.558 339 Y HA 0.781 5.330 4.550 -0.000 0.000 0.333 339 Y C -1.618 174.360 175.900 0.130 0.000 1.125 339 Y CA -1.355 56.828 58.100 0.138 0.000 1.039 339 Y CB 1.124 39.660 38.460 0.126 0.000 1.331 339 Y HN 0.411 nan 8.280 nan 0.000 0.456 340 Q N 3.047 123.041 119.800 0.323 0.000 2.375 340 Q HA 0.725 5.064 4.340 -0.000 0.000 0.271 340 Q C -1.355 174.884 176.000 0.400 0.000 1.074 340 Q CA -0.637 55.325 55.803 0.266 0.000 0.808 340 Q CB 3.281 32.138 28.738 0.198 0.000 1.327 340 Q HN 0.770 nan 8.270 nan 0.000 0.441 341 I N 3.114 123.888 120.570 0.340 0.000 2.433 341 I HA 0.601 4.770 4.170 -0.000 0.000 0.292 341 I C -1.088 175.157 176.117 0.212 0.000 1.001 341 I CA -1.003 60.406 61.300 0.182 0.000 1.119 341 I CB 0.932 39.002 38.000 0.116 0.000 1.289 341 I HN 0.686 nan 8.210 nan 0.000 0.438 342 Y N 3.199 123.429 120.300 -0.118 0.000 2.764 342 Y HA 0.412 4.962 4.550 -0.000 0.000 0.331 342 Y C -0.225 175.581 175.900 -0.156 0.000 1.280 342 Y CA -1.015 57.016 58.100 -0.115 0.000 1.065 342 Y CB 0.831 39.230 38.460 -0.102 0.000 1.319 342 Y HN 0.568 nan 8.280 nan 0.000 0.453 343 Q N -1.055 118.756 119.800 0.017 0.000 2.215 343 Q HA 0.395 4.735 4.340 -0.000 0.000 0.257 343 Q C -0.381 175.631 176.000 0.020 0.000 0.792 343 Q CA -0.178 55.578 55.803 -0.078 0.000 0.958 343 Q CB 1.376 30.080 28.738 -0.057 0.000 1.158 343 Q HN 0.540 nan 8.270 nan 0.000 0.490 344 E N 1.454 121.727 120.200 0.122 0.000 2.281 344 E HA 0.295 4.645 4.350 -0.000 0.000 0.257 344 E C -1.844 174.819 176.600 0.104 0.000 0.971 344 E CA -2.222 54.226 56.400 0.080 0.000 0.839 344 E CB 1.420 31.144 29.700 0.041 0.000 1.238 344 E HN -0.156 nan 8.360 nan 0.000 0.412 345 P HA -0.193 nan 4.420 nan 0.000 0.209 345 P C 0.514 177.534 177.300 -0.468 0.000 1.080 345 P CA 1.781 64.807 63.100 -0.124 0.000 0.971 345 P CB 0.063 31.757 31.700 -0.011 0.000 0.768 346 F N -1.496 118.349 119.950 -0.175 0.000 2.790 346 F HA 0.275 4.802 4.527 -0.000 0.000 0.371 346 F C 0.551 176.227 175.800 -0.208 0.000 1.293 346 F CA -0.422 57.412 58.000 -0.276 0.000 1.205 346 F CB 0.412 39.291 39.000 -0.201 0.000 1.047 346 F HN -0.317 nan 8.300 nan 0.000 0.510 347 K N 1.585 121.961 120.400 -0.040 0.000 2.290 347 K HA 0.243 4.562 4.320 -0.000 0.000 0.250 347 K C -0.239 176.341 176.600 -0.033 0.000 1.092 347 K CA -0.315 55.945 56.287 -0.046 0.000 1.006 347 K CB 0.183 32.673 32.500 -0.016 0.000 1.549 347 K HN 0.094 nan 8.250 nan 0.000 0.436 348 N N 2.301 120.962 118.700 -0.065 0.000 2.407 348 N HA -0.030 4.710 4.740 -0.000 0.000 0.250 348 N C 1.226 176.770 175.510 0.056 0.000 1.236 348 N CA 0.213 53.267 53.050 0.007 0.000 0.879 348 N CB 1.016 39.483 38.487 -0.033 0.000 1.088 348 N HN 0.383 nan 8.380 nan 0.000 0.450 349 L N 0.815 122.146 121.223 0.180 0.000 2.269 349 L HA 0.197 4.536 4.340 -0.000 0.000 0.200 349 L C 0.971 178.073 176.870 0.386 0.000 1.069 349 L CA 0.705 55.727 54.840 0.303 0.000 0.804 349 L CB 0.156 42.395 42.059 0.300 0.000 0.987 349 L HN 0.512 nan 8.230 nan 0.000 0.468 350 K N -1.051 119.530 120.400 0.303 0.000 2.548 350 K HA 0.394 4.714 4.320 -0.000 0.000 0.282 350 K C -1.404 175.300 176.600 0.172 0.000 1.006 350 K CA -0.457 56.000 56.287 0.284 0.000 0.892 350 K CB 2.270 34.925 32.500 0.258 0.000 1.499 350 K HN -0.002 nan 8.250 nan 0.000 0.433 351 T N -1.432 113.157 114.554 0.059 0.000 2.868 351 T HA 0.825 5.175 4.350 -0.000 0.000 0.306 351 T C -0.327 174.127 174.700 -0.410 0.000 1.224 351 T CA -0.418 61.586 62.100 -0.159 0.000 1.012 351 T CB 1.912 70.706 68.868 -0.124 0.000 1.221 351 T HN 0.745 nan 8.240 nan 0.000 0.499 352 G N 0.589 108.724 108.800 -1.107 0.000 2.706 352 G HA2 0.761 4.721 3.960 -0.000 0.000 0.307 352 G HA3 0.761 4.721 3.960 -0.000 0.000 0.307 352 G C -2.010 172.356 174.900 -0.891 0.000 1.307 352 G CA -0.990 43.505 45.100 -1.007 0.000 0.790 352 G HN 1.059 nan 8.290 nan 0.000 0.503 353 K N -1.154 119.006 120.400 -0.399 0.000 2.557 353 K HA 0.630 4.950 4.320 -0.000 0.000 0.261 353 K C -2.107 174.429 176.600 -0.106 0.000 0.932 353 K CA -0.801 55.410 56.287 -0.127 0.000 0.829 353 K CB 1.303 33.784 32.500 -0.031 0.000 1.358 353 K HN 0.571 nan 8.250 nan 0.000 0.430 354 Y N 0.945 121.452 120.300 0.345 0.000 2.364 354 Y HA 0.620 5.170 4.550 -0.000 0.000 0.340 354 Y C 0.391 176.475 175.900 0.307 0.000 0.975 354 Y CA -0.858 57.398 58.100 0.259 0.000 1.089 354 Y CB 2.537 41.063 38.460 0.111 0.000 1.192 354 Y HN 0.934 nan 8.280 nan 0.000 0.454 355 A N 3.261 126.372 122.820 0.486 0.000 2.701 355 A HA 0.187 4.507 4.320 -0.000 0.000 0.241 355 A C 0.204 177.917 177.584 0.215 0.000 1.231 355 A CA -0.430 51.804 52.037 0.330 0.000 1.003 355 A CB 0.251 19.395 19.000 0.240 0.000 1.281 355 A HN 0.737 nan 8.150 nan 0.000 0.600 356 R N 0.571 121.163 120.500 0.153 0.000 2.491 356 R HA 0.395 4.735 4.340 -0.000 0.000 0.283 356 R C -0.082 176.255 176.300 0.061 0.000 1.072 356 R CA 0.109 56.251 56.100 0.070 0.000 1.048 356 R CB 0.253 30.553 30.300 -0.000 0.000 0.983 356 R HN 0.370 nan 8.270 nan 0.000 0.450 357 M N 5.402 125.036 119.600 0.057 0.000 2.103 357 M HA 0.284 4.764 4.480 -0.000 0.000 0.350 357 M C -0.647 175.669 176.300 0.027 0.000 1.100 357 M CA -0.706 54.628 55.300 0.057 0.000 1.042 357 M CB 0.665 33.304 32.600 0.065 0.000 1.368 357 M HN 0.443 nan 8.290 nan 0.000 0.404 358 R N 3.684 124.192 120.500 0.014 0.000 2.605 358 R HA 0.435 4.775 4.340 -0.000 0.000 0.271 358 R C 0.233 176.543 176.300 0.016 0.000 1.418 358 R CA 0.194 56.295 56.100 0.003 0.000 1.102 358 R CB -1.024 29.269 30.300 -0.012 0.000 1.131 358 R HN 0.965 nan 8.270 nan 0.000 0.554 359 G N -0.099 108.702 108.800 0.002 0.000 2.381 359 G HA2 0.026 3.986 3.960 -0.000 0.000 0.672 359 G HA3 0.026 3.986 3.960 -0.000 0.000 0.672 359 G C 0.015 174.885 174.900 -0.049 0.000 1.324 359 G CA -0.375 44.715 45.100 -0.015 0.000 0.975 359 G HN 0.387 nan 8.290 nan 0.000 0.593 360 A N -0.864 121.864 122.820 -0.153 0.000 1.887 360 A HA 0.430 4.750 4.320 -0.000 0.000 0.210 360 A C 0.846 178.309 177.584 -0.200 0.000 1.221 360 A CA 1.285 53.168 52.037 -0.257 0.000 0.635 360 A CB -0.104 18.594 19.000 -0.504 0.000 0.881 360 A HN 0.941 nan 8.150 nan 0.000 0.456 361 H N 0.132 119.258 119.070 0.094 0.000 2.641 361 H HA 0.548 5.104 4.556 -0.000 0.000 0.295 361 H C -0.609 174.785 175.328 0.110 0.000 1.070 361 H CA 0.141 56.252 56.048 0.105 0.000 1.257 361 H CB 0.608 30.450 29.762 0.133 0.000 1.393 361 H HN 0.244 nan 8.280 nan 0.000 0.464 362 T N 2.130 116.797 114.554 0.189 0.000 2.838 362 T HA 0.402 4.752 4.350 -0.000 0.000 0.292 362 T C -0.107 174.668 174.700 0.125 0.000 1.113 362 T CA -0.757 61.432 62.100 0.149 0.000 1.008 362 T CB 1.708 70.648 68.868 0.120 0.000 1.259 362 T HN 0.762 nan 8.240 nan 0.000 0.520 363 N N 0.099 118.853 118.700 0.091 0.000 3.369 363 N HA 0.463 5.202 4.740 -0.000 0.000 0.362 363 N C -0.519 175.038 175.510 0.078 0.000 1.523 363 N CA -0.458 52.623 53.050 0.051 0.000 0.684 363 N CB 0.180 38.618 38.487 -0.082 0.000 1.796 363 N HN 0.397 nan 8.380 nan 0.000 0.641 364 D N -1.509 118.921 120.400 0.049 0.000 2.398 364 D HA 0.224 4.864 4.640 -0.000 0.000 0.210 364 D C 1.127 177.473 176.300 0.077 0.000 1.094 364 D CA 0.139 54.224 54.000 0.142 0.000 0.839 364 D CB 0.430 41.340 40.800 0.183 0.000 0.963 364 D HN 0.334 nan 8.370 nan 0.000 0.506 365 V N -0.291 119.553 119.914 -0.116 0.000 2.403 365 V HA -0.030 4.090 4.120 -0.000 0.000 0.239 365 V C 2.239 178.351 176.094 0.030 0.000 1.041 365 V CA 0.446 62.666 62.300 -0.134 0.000 1.051 365 V CB -0.476 31.031 31.823 -0.526 0.000 0.704 365 V HN -0.040 nan 8.190 nan 0.000 0.472 366 K N 0.433 120.892 120.400 0.098 0.000 2.044 366 K HA -0.339 3.981 4.320 -0.000 0.000 0.224 366 K C 2.384 179.010 176.600 0.045 0.000 1.056 366 K CA 2.732 59.134 56.287 0.192 0.000 0.962 366 K CB -0.390 32.227 32.500 0.196 0.000 0.730 366 K HN 0.576 nan 8.250 nan 0.000 0.453 367 Q N 0.319 120.139 119.800 0.032 0.000 2.030 367 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 367 Q C 2.310 178.060 176.000 -0.415 0.000 0.986 367 Q CA 1.451 57.205 55.803 -0.081 0.000 0.843 367 Q CB -0.356 28.497 28.738 0.193 0.000 0.904 367 Q HN 0.251 nan 8.270 nan 0.000 0.420 368 L N 0.932 121.903 121.223 -0.421 0.000 1.990 368 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 368 L C 2.336 178.883 176.870 -0.538 0.000 1.072 368 L CA 2.218 56.636 54.840 -0.704 0.000 0.755 368 L CB -1.100 40.741 42.059 -0.364 0.000 0.889 368 L HN 0.151 nan 8.230 nan 0.000 0.432 369 T N -0.291 114.069 114.554 -0.323 0.000 2.592 369 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 369 T C 1.692 176.215 174.700 -0.295 0.000 1.060 369 T CA 1.944 63.882 62.100 -0.270 0.000 1.167 369 T CB -0.293 68.582 68.868 0.011 0.000 0.863 369 T HN 0.511 nan 8.240 nan 0.000 0.431 370 E N 1.169 121.221 120.200 -0.247 0.000 2.097 370 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 370 E C 2.457 178.844 176.600 -0.355 0.000 1.000 370 E CA 1.367 57.609 56.400 -0.263 0.000 0.804 370 E CB -0.611 28.947 29.700 -0.236 0.000 0.740 370 E HN 0.603 nan 8.360 nan 0.000 0.454 371 A N 1.240 123.789 122.820 -0.452 0.000 1.930 371 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 371 A C 2.642 180.049 177.584 -0.295 0.000 1.175 371 A CA 1.295 53.124 52.037 -0.347 0.000 0.627 371 A CB -0.529 18.141 19.000 -0.550 0.000 0.815 371 A HN 0.139 nan 8.150 nan 0.000 0.443 372 V N -0.546 119.092 119.914 -0.461 0.000 2.358 372 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 372 V C 2.632 178.574 176.094 -0.254 0.000 1.047 372 V CA 2.219 64.174 62.300 -0.575 0.000 1.035 372 V CB -0.874 30.432 31.823 -0.861 0.000 0.658 372 V HN 0.613 nan 8.190 nan 0.000 0.452 373 Q N 0.106 119.775 119.800 -0.220 0.000 2.014 373 Q HA -0.275 4.065 4.340 -0.000 0.000 0.207 373 Q C 2.324 178.286 176.000 -0.064 0.000 0.993 373 Q CA 2.253 57.988 55.803 -0.113 0.000 0.850 373 Q CB -0.249 28.415 28.738 -0.123 0.000 0.916 373 Q HN 0.470 nan 8.270 nan 0.000 0.417 374 K N -0.339 119.997 120.400 -0.105 0.000 2.147 374 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 374 K C 1.672 178.341 176.600 0.115 0.000 1.049 374 K CA 0.866 57.141 56.287 -0.019 0.000 0.936 374 K CB 0.024 32.377 32.500 -0.247 0.000 0.722 374 K HN 0.182 nan 8.250 nan 0.000 0.446 375 I N 0.617 121.228 120.570 0.068 0.000 2.252 375 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 375 I C 1.824 178.005 176.117 0.106 0.000 1.102 375 I CA 1.389 62.689 61.300 -0.000 0.000 1.385 375 I CB -1.315 36.705 38.000 0.032 0.000 1.064 375 I HN 0.206 nan 8.210 nan 0.000 0.414 376 T N 0.704 115.354 114.554 0.161 0.000 2.595 376 T HA -0.188 4.162 4.350 -0.000 0.000 0.264 376 T C 1.977 176.733 174.700 0.094 0.000 1.058 376 T CA 2.380 64.567 62.100 0.146 0.000 1.166 376 T CB -0.529 68.428 68.868 0.147 0.000 0.863 376 T HN 0.285 nan 8.240 nan 0.000 0.415 377 T N 1.414 116.010 114.554 0.069 0.000 2.592 377 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 377 T C 1.831 176.563 174.700 0.053 0.000 1.060 377 T CA 1.709 63.839 62.100 0.051 0.000 1.167 377 T CB -0.477 68.413 68.868 0.036 0.000 0.863 377 T HN 0.496 nan 8.240 nan 0.000 0.431 378 E N 0.027 120.269 120.200 0.069 0.000 2.455 378 E HA -0.115 4.235 4.350 -0.000 0.000 0.202 378 E C 1.855 178.480 176.600 0.041 0.000 1.045 378 E CA 0.683 57.118 56.400 0.058 0.000 0.872 378 E CB 0.075 29.837 29.700 0.102 0.000 0.792 378 E HN 0.398 nan 8.360 nan 0.000 0.542 379 S N -0.127 115.644 115.700 0.119 0.000 2.433 379 S HA 0.062 4.532 4.470 -0.000 0.000 0.216 379 S C 1.818 176.503 174.600 0.141 0.000 1.031 379 S CA -0.063 58.311 58.200 0.290 0.000 0.931 379 S CB -0.100 63.301 63.200 0.336 0.000 0.875 379 S HN 0.224 nan 8.310 nan 0.000 0.553 380 I N 2.104 122.735 120.570 0.101 0.000 2.231 380 I HA -0.271 3.899 4.170 -0.000 0.000 0.251 380 I C 1.988 178.102 176.117 -0.006 0.000 1.076 380 I CA 1.186 62.519 61.300 0.054 0.000 1.347 380 I CB -0.408 37.617 38.000 0.041 0.000 1.038 380 I HN 0.143 nan 8.210 nan 0.000 0.429 381 V N 0.503 120.390 119.914 -0.045 0.000 2.667 381 V HA -0.198 3.922 4.120 -0.000 0.000 0.252 381 V C 1.905 177.875 176.094 -0.208 0.000 1.065 381 V CA 1.599 63.842 62.300 -0.095 0.000 1.083 381 V CB -0.189 31.589 31.823 -0.076 0.000 0.692 381 V HN 0.397 nan 8.190 nan 0.000 0.468 382 I N -2.626 117.711 120.570 -0.388 0.000 3.939 382 I HA 0.049 4.219 4.170 -0.000 0.000 0.313 382 I C 1.668 177.297 176.117 -0.813 0.000 1.274 382 I CA 0.512 61.353 61.300 -0.766 0.000 1.301 382 I CB 0.205 37.304 38.000 -1.502 0.000 1.105 382 I HN 0.351 nan 8.210 nan 0.000 0.427 383 W N 0.562 121.746 121.300 -0.194 0.000 2.592 383 W HA 0.365 5.025 4.660 -0.000 0.000 0.306 383 W C 1.361 177.800 176.519 -0.133 0.000 0.991 383 W CA 0.441 57.622 57.345 -0.274 0.000 1.430 383 W CB 0.073 29.214 29.460 -0.532 0.000 1.017 383 W HN 0.210 nan 8.180 nan 0.000 0.557 384 G N 2.571 111.423 108.800 0.086 0.000 2.225 384 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.267 384 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.267 384 G C 0.078 175.025 174.900 0.078 0.000 1.024 384 G CA 1.247 46.385 45.100 0.064 0.000 0.784 384 G HN 0.240 nan 8.290 nan 0.000 0.507 385 K N -0.745 119.712 120.400 0.096 0.000 2.536 385 K HA 0.606 4.926 4.320 -0.000 0.000 0.269 385 K C -0.420 176.201 176.600 0.035 0.000 0.965 385 K CA -0.471 55.850 56.287 0.057 0.000 0.860 385 K CB 1.273 33.799 32.500 0.043 0.000 1.423 385 K HN 0.053 nan 8.250 nan 0.000 0.438 386 T N 3.216 117.771 114.554 0.001 0.000 2.907 386 T HA 0.458 4.808 4.350 -0.000 0.000 0.284 386 T C -2.380 172.240 174.700 -0.133 0.000 1.004 386 T CA -1.189 60.896 62.100 -0.025 0.000 1.063 386 T CB 1.431 70.313 68.868 0.024 0.000 0.992 386 T HN 0.452 nan 8.240 nan 0.000 0.483 387 P HA 0.444 nan 4.420 nan 0.000 0.285 387 P C -1.114 175.864 177.300 -0.537 0.000 1.285 387 P CA -0.940 61.886 63.100 -0.458 0.000 0.854 387 P CB 1.331 32.658 31.700 -0.622 0.000 1.180 388 K N 0.895 121.009 120.400 -0.477 0.000 2.156 388 K HA 0.462 4.782 4.320 -0.000 0.000 0.271 388 K C -0.393 175.960 176.600 -0.411 0.000 0.995 388 K CA -0.351 55.748 56.287 -0.313 0.000 0.890 388 K CB 0.726 33.111 32.500 -0.191 0.000 1.073 388 K HN 0.352 nan 8.250 nan 0.000 0.454 389 F N 1.226 121.168 119.950 -0.013 0.000 2.440 389 F HA 0.372 4.899 4.527 -0.000 0.000 0.328 389 F C 0.447 176.308 175.800 0.102 0.000 1.070 389 F CA -0.650 57.362 58.000 0.019 0.000 1.011 389 F CB 1.335 40.339 39.000 0.007 0.000 1.226 389 F HN 0.152 nan 8.300 nan 0.000 0.491 390 K N 3.410 124.019 120.400 0.347 0.000 2.621 390 K HA 0.504 4.824 4.320 -0.000 0.000 0.233 390 K C -1.576 175.218 176.600 0.323 0.000 0.972 390 K CA -0.278 56.186 56.287 0.296 0.000 0.988 390 K CB 1.245 33.865 32.500 0.200 0.000 1.187 390 K HN 0.452 nan 8.250 nan 0.000 0.471 391 L N 2.717 124.166 121.223 0.376 0.000 2.346 391 L HA 0.512 4.852 4.340 -0.000 0.000 0.274 391 L C -2.361 174.693 176.870 0.308 0.000 1.007 391 L CA -2.595 52.385 54.840 0.233 0.000 0.818 391 L CB 1.794 43.797 42.059 -0.093 0.000 1.284 391 L HN 0.221 nan 8.230 nan 0.000 0.424 392 P HA 0.285 nan 4.420 nan 0.000 0.237 392 P C -0.738 176.532 177.300 -0.051 0.000 1.788 392 P CA 0.400 63.610 63.100 0.183 0.000 1.061 392 P CB -0.206 31.604 31.700 0.184 0.000 1.967 393 I N -0.053 120.361 120.570 -0.261 0.000 2.740 393 I HA 0.075 4.245 4.170 -0.000 0.000 0.275 393 I C -1.210 174.696 176.117 -0.353 0.000 1.453 393 I CA -0.533 60.568 61.300 -0.332 0.000 1.151 393 I CB 1.126 39.000 38.000 -0.210 0.000 1.477 393 I HN -0.028 nan 8.210 nan 0.000 0.428 394 Q N 6.500 125.920 119.800 -0.633 0.000 2.392 394 Q HA 0.177 4.516 4.340 -0.000 0.000 0.262 394 Q C 0.715 176.822 176.000 0.177 0.000 1.003 394 Q CA -0.265 55.338 55.803 -0.333 0.000 0.888 394 Q CB 0.993 29.555 28.738 -0.294 0.000 1.260 394 Q HN 0.593 nan 8.270 nan 0.000 0.435 395 K N 1.778 122.364 120.400 0.309 0.000 2.144 395 K HA -0.277 4.043 4.320 -0.000 0.000 0.209 395 K C 1.546 178.341 176.600 0.325 0.000 1.047 395 K CA 1.763 58.283 56.287 0.388 0.000 0.927 395 K CB 0.011 32.606 32.500 0.159 0.000 0.716 395 K HN 0.573 nan 8.250 nan 0.000 0.454 396 E N 0.116 120.423 120.200 0.178 0.000 2.038 396 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 396 E C 2.141 178.799 176.600 0.097 0.000 1.000 396 E CA 1.911 58.374 56.400 0.105 0.000 0.803 396 E CB -0.267 29.463 29.700 0.050 0.000 0.750 396 E HN 0.413 nan 8.360 nan 0.000 0.448 397 T N 0.966 115.570 114.554 0.083 0.000 2.684 397 T HA -0.211 4.139 4.350 -0.000 0.000 0.267 397 T C 1.420 176.230 174.700 0.183 0.000 1.036 397 T CA 1.238 63.367 62.100 0.048 0.000 1.148 397 T CB -0.548 68.300 68.868 -0.034 0.000 0.863 397 T HN 0.418 nan 8.240 nan 0.000 0.436 398 W N 1.976 123.347 121.300 0.118 0.000 2.380 398 W HA -0.118 4.542 4.660 -0.000 0.000 0.317 398 W C 2.139 178.835 176.519 0.294 0.000 1.196 398 W CA 1.235 58.739 57.345 0.265 0.000 1.307 398 W CB -0.319 29.344 29.460 0.338 0.000 1.157 398 W HN 0.316 nan 8.180 nan 0.000 0.483 399 E N -0.569 119.767 120.200 0.228 0.000 2.236 399 E HA -0.275 4.075 4.350 -0.000 0.000 0.205 399 E C 1.912 178.264 176.600 -0.413 0.000 1.028 399 E CA 2.565 58.898 56.400 -0.113 0.000 0.827 399 E CB -0.137 29.588 29.700 0.041 0.000 0.735 399 E HN 0.237 nan 8.360 nan 0.000 0.470 400 T N -0.662 113.781 114.554 -0.184 0.000 3.009 400 T HA -0.093 4.257 4.350 -0.000 0.000 0.258 400 T C 1.087 175.722 174.700 -0.109 0.000 1.063 400 T CA 0.361 62.361 62.100 -0.167 0.000 1.139 400 T CB -0.244 68.587 68.868 -0.062 0.000 0.890 400 T HN 0.404 nan 8.240 nan 0.000 0.471 401 W N 1.918 123.024 121.300 -0.323 0.000 2.338 401 W HA -0.153 4.507 4.660 -0.000 0.000 0.325 401 W C 2.260 178.588 176.519 -0.318 0.000 1.206 401 W CA 0.846 58.017 57.345 -0.291 0.000 1.257 401 W CB -0.304 29.022 29.460 -0.224 0.000 1.184 401 W HN 0.429 nan 8.180 nan 0.000 0.456 402 W N 1.657 122.527 121.300 -0.716 0.000 2.480 402 W HA -0.145 4.515 4.660 -0.000 0.000 0.257 402 W C 1.601 177.855 176.519 -0.442 0.000 1.235 402 W CA 1.393 58.254 57.345 -0.806 0.000 1.218 402 W CB -1.507 27.352 29.460 -1.003 0.000 1.131 402 W HN -0.058 nan 8.180 nan 0.000 0.606 403 T N 0.440 114.557 114.554 -0.727 0.000 2.901 403 T HA -0.127 4.223 4.350 -0.000 0.000 0.252 403 T C 1.753 176.279 174.700 -0.290 0.000 1.035 403 T CA 1.674 63.381 62.100 -0.654 0.000 1.142 403 T CB -0.298 68.116 68.868 -0.757 0.000 0.869 403 T HN 0.234 nan 8.240 nan 0.000 0.442 404 E N -0.971 119.093 120.200 -0.227 0.000 2.152 404 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 404 E C -0.005 176.565 176.600 -0.049 0.000 0.983 404 E CA 0.087 56.429 56.400 -0.096 0.000 0.818 404 E CB -0.016 29.660 29.700 -0.040 0.000 0.758 404 E HN 0.448 nan 8.360 nan 0.000 0.467 405 Y N 0.549 120.594 120.300 -0.425 0.000 2.578 405 Y HA -0.146 4.404 4.550 -0.000 0.000 0.339 405 Y C 0.577 176.276 175.900 -0.335 0.000 1.231 405 Y CA -0.416 57.304 58.100 -0.632 0.000 1.461 405 Y CB 0.229 37.931 38.460 -1.264 0.000 1.323 405 Y HN 0.120 nan 8.280 nan 0.000 0.590 406 W N 1.552 122.963 121.300 0.186 0.000 3.077 406 W HA 0.300 4.960 4.660 -0.000 0.000 0.266 406 W C -0.116 176.244 176.519 -0.266 0.000 1.300 406 W CA -0.281 57.030 57.345 -0.057 0.000 1.586 406 W CB -0.325 29.143 29.460 0.013 0.000 1.103 406 W HN 0.412 nan 8.180 nan 0.000 0.652 407 Q N 1.902 121.079 119.800 -1.038 0.000 2.235 407 Q HA 0.569 4.909 4.340 -0.000 0.000 0.250 407 Q C -0.088 175.528 176.000 -0.640 0.000 0.909 407 Q CA -0.281 55.012 55.803 -0.849 0.000 0.910 407 Q CB 1.528 29.449 28.738 -1.362 0.000 1.223 407 Q HN 0.200 nan 8.270 nan 0.000 0.432 408 A N 2.502 125.121 122.820 -0.335 0.000 2.371 408 A HA 0.688 5.007 4.320 -0.000 0.000 0.257 408 A C -0.515 176.947 177.584 -0.204 0.000 1.089 408 A CA 0.220 52.129 52.037 -0.214 0.000 0.794 408 A CB 0.361 19.288 19.000 -0.123 0.000 1.029 408 A HN 0.829 nan 8.150 nan 0.000 0.488 409 T N -0.883 113.602 114.554 -0.116 0.000 2.739 409 T HA 0.719 5.069 4.350 -0.000 0.000 0.303 409 T C -0.904 173.907 174.700 0.186 0.000 1.389 409 T CA -0.634 61.474 62.100 0.013 0.000 1.001 409 T CB 1.383 70.255 68.868 0.007 0.000 1.436 409 T HN 1.581 nan 8.240 nan 0.000 0.500 410 W N 0.372 121.718 121.300 0.077 0.000 2.986 410 W HA 0.628 5.288 4.660 -0.000 0.000 0.345 410 W C -2.975 173.565 176.519 0.036 0.000 1.191 410 W CA -1.283 56.113 57.345 0.086 0.000 1.170 410 W CB 0.497 29.909 29.460 -0.079 0.000 1.438 410 W HN 0.869 nan 8.180 nan 0.000 0.567 411 I N 3.893 123.930 120.570 -0.888 0.000 2.692 411 I HA 0.274 4.444 4.170 -0.000 0.000 0.293 411 I C -2.038 173.415 176.117 -1.108 0.000 1.200 411 I CA -1.994 58.758 61.300 -0.913 0.000 1.036 411 I CB 2.793 40.059 38.000 -1.223 0.000 1.258 411 I HN 0.026 nan 8.210 nan 0.000 0.421 412 P HA 0.064 nan 4.420 nan 0.000 0.274 412 P C -0.493 176.855 177.300 0.079 0.000 1.256 412 P CA -0.298 62.773 63.100 -0.048 0.000 0.795 412 P CB 0.605 32.444 31.700 0.232 0.000 1.038 413 E N 1.485 121.749 120.200 0.108 0.000 3.056 413 E HA -0.090 4.260 4.350 -0.000 0.000 0.264 413 E C -0.814 175.923 176.600 0.227 0.000 0.899 413 E CA 0.508 56.959 56.400 0.086 0.000 0.966 413 E CB -0.024 29.703 29.700 0.045 0.000 0.913 413 E HN 0.387 nan 8.360 nan 0.000 0.522 414 W N 3.365 124.624 121.300 -0.067 0.000 3.275 414 W HA 0.494 5.154 4.660 -0.000 0.000 0.306 414 W C -1.298 175.212 176.519 -0.015 0.000 1.259 414 W CA -0.849 56.484 57.345 -0.020 0.000 1.194 414 W CB 0.550 29.975 29.460 -0.058 0.000 1.375 414 W HN 0.353 nan 8.180 nan 0.000 0.564 415 E N 1.388 121.587 120.200 -0.001 0.000 2.303 415 E HA 0.556 4.906 4.350 -0.000 0.000 0.254 415 E C -1.375 175.358 176.600 0.222 0.000 0.979 415 E CA -1.089 55.226 56.400 -0.142 0.000 0.843 415 E CB 2.024 31.690 29.700 -0.058 0.000 1.245 415 E HN 0.284 nan 8.360 nan 0.000 0.413 416 F N 1.809 121.768 119.950 0.015 0.000 2.404 416 F HA 0.405 4.932 4.527 -0.000 0.000 0.354 416 F C -0.939 174.937 175.800 0.126 0.000 1.122 416 F CA -1.353 56.757 58.000 0.184 0.000 1.080 416 F CB 0.648 39.740 39.000 0.152 0.000 1.131 416 F HN 0.017 nan 8.300 nan 0.000 0.471 417 V N 7.449 127.642 119.914 0.466 0.000 2.394 417 V HA 0.356 4.476 4.120 -0.000 0.000 0.282 417 V C -0.440 175.709 176.094 0.092 0.000 1.031 417 V CA -0.619 61.739 62.300 0.096 0.000 0.881 417 V CB 1.014 32.962 31.823 0.208 0.000 0.982 417 V HN 0.780 nan 8.190 nan 0.000 0.451 418 N N 4.491 123.031 118.700 -0.267 0.000 2.448 418 N HA 0.249 4.989 4.740 -0.000 0.000 0.250 418 N C -0.481 175.098 175.510 0.116 0.000 1.136 418 N CA 0.379 53.399 53.050 -0.049 0.000 0.953 418 N CB 0.649 39.003 38.487 -0.222 0.000 1.251 418 N HN 0.833 nan 8.380 nan 0.000 0.502 419 T N 3.670 118.355 114.554 0.218 0.000 3.505 419 T HA 0.290 4.640 4.350 -0.000 0.000 0.308 419 T C -2.903 171.882 174.700 0.142 0.000 0.767 419 T CA -1.107 61.083 62.100 0.150 0.000 1.194 419 T CB 0.364 69.317 68.868 0.142 0.000 0.997 419 T HN 0.131 nan 8.240 nan 0.000 0.504 420 P HA 0.251 nan 4.420 nan 0.000 0.271 420 P C -2.406 174.925 177.300 0.051 0.000 1.238 420 P CA -0.786 62.361 63.100 0.079 0.000 0.794 420 P CB -0.023 31.718 31.700 0.068 0.000 0.959 421 P HA 0.087 nan 4.420 nan 0.000 0.268 421 P C -0.480 176.831 177.300 0.017 0.000 1.204 421 P CA 0.475 63.588 63.100 0.022 0.000 0.768 421 P CB 0.502 32.203 31.700 0.001 0.000 0.842 422 L N 2.350 123.582 121.223 0.015 0.000 2.454 422 L HA 0.424 4.764 4.340 -0.000 0.000 0.256 422 L C 0.359 177.187 176.870 -0.071 0.000 1.136 422 L CA -1.149 53.679 54.840 -0.019 0.000 0.804 422 L CB 0.964 42.998 42.059 -0.042 0.000 1.181 422 L HN 0.126 nan 8.230 nan 0.000 0.469 423 V N 0.456 120.310 119.914 -0.101 0.000 2.448 423 V HA 0.788 4.908 4.120 -0.000 0.000 0.295 423 V C 0.030 175.988 176.094 -0.227 0.000 1.025 423 V CA -0.522 61.711 62.300 -0.112 0.000 0.859 423 V CB 1.222 33.045 31.823 0.001 0.000 0.988 423 V HN 0.845 nan 8.190 nan 0.000 0.431 424 K N 4.139 124.331 120.400 -0.348 0.000 2.592 424 K HA 0.617 4.937 4.320 -0.000 0.000 0.259 424 K C -1.018 175.224 176.600 -0.597 0.000 0.937 424 K CA -0.767 55.267 56.287 -0.422 0.000 0.874 424 K CB 0.440 32.685 32.500 -0.425 0.000 1.339 424 K HN 0.656 nan 8.250 nan 0.000 0.425 425 L N 1.169 122.124 121.223 -0.447 0.000 2.529 425 L HA 0.159 4.499 4.340 -0.000 0.000 0.287 425 L C 1.060 177.697 176.870 -0.388 0.000 1.241 425 L CA 0.063 54.671 54.840 -0.387 0.000 0.857 425 L CB 0.331 42.170 42.059 -0.367 0.000 1.113 425 L HN 0.926 nan 8.230 nan 0.000 0.504 426 W N 0.600 121.857 121.300 -0.072 0.000 2.588 426 W HA 0.088 4.748 4.660 -0.000 0.000 0.277 426 W C 0.799 177.390 176.519 0.120 0.000 1.221 426 W CA -0.024 57.340 57.345 0.033 0.000 1.355 426 W CB -0.145 29.361 29.460 0.077 0.000 1.083 426 W HN 0.542 nan 8.180 nan 0.000 0.581 427 Y N -0.457 119.941 120.300 0.162 0.000 2.833 427 Y HA 0.746 5.296 4.550 -0.000 0.000 0.323 427 Y C -0.451 175.476 175.900 0.045 0.000 1.220 427 Y CA -2.248 55.909 58.100 0.096 0.000 1.174 427 Y CB 0.349 38.863 38.460 0.091 0.000 1.404 427 Y HN -0.112 nan 8.280 nan 0.000 0.607 428 Q N 0.990 120.948 119.800 0.262 0.000 2.638 428 Q HA 0.349 4.689 4.340 -0.000 0.000 0.227 428 Q C -2.053 174.049 176.000 0.170 0.000 0.842 428 Q CA -0.209 55.642 55.803 0.079 0.000 1.095 428 Q CB 0.919 29.681 28.738 0.041 0.000 1.595 428 Q HN 0.858 nan 8.270 nan 0.000 0.511 429 L N 1.433 122.746 121.223 0.150 0.000 2.394 429 L HA 0.321 4.660 4.340 -0.000 0.000 0.229 429 L C 0.594 177.537 176.870 0.121 0.000 1.225 429 L CA -0.202 54.727 54.840 0.149 0.000 0.829 429 L CB 0.309 42.431 42.059 0.106 0.000 1.195 429 L HN 0.603 nan 8.230 nan 0.000 0.548 430 E N -0.173 120.115 120.200 0.146 0.000 2.221 430 E HA 0.238 4.587 4.350 -0.000 0.000 0.268 430 E C 0.065 176.801 176.600 0.226 0.000 0.933 430 E CA -0.485 56.035 56.400 0.200 0.000 0.809 430 E CB 1.995 31.871 29.700 0.293 0.000 1.190 430 E HN 0.376 nan 8.360 nan 0.000 0.406 431 K N 0.614 121.135 120.400 0.201 0.000 2.137 431 K HA 0.053 4.373 4.320 -0.000 0.000 0.202 431 K C 0.219 177.016 176.600 0.329 0.000 1.052 431 K CA 0.688 57.088 56.287 0.187 0.000 0.961 431 K CB 0.390 32.955 32.500 0.108 0.000 0.741 431 K HN 0.294 nan 8.250 nan 0.000 0.452 432 E N 0.985 121.346 120.200 0.269 0.000 2.227 432 E HA 0.262 4.612 4.350 -0.000 0.000 0.268 432 E C -2.616 173.797 176.600 -0.313 0.000 0.907 432 E CA -2.878 53.582 56.400 0.100 0.000 0.786 432 E CB 1.213 30.923 29.700 0.018 0.000 1.191 432 E HN -0.048 nan 8.360 nan 0.000 0.411 433 P HA 0.049 nan 4.420 nan 0.000 0.265 433 P C -0.166 176.881 177.300 -0.423 0.000 1.193 433 P CA -0.264 62.193 63.100 -1.072 0.000 0.765 433 P CB 0.609 31.848 31.700 -0.768 0.000 0.823 434 I N 4.339 124.735 120.570 -0.289 0.000 2.428 434 I HA 0.145 4.315 4.170 -0.000 0.000 0.296 434 I C -0.587 175.465 176.117 -0.109 0.000 0.985 434 I CA -0.920 60.301 61.300 -0.132 0.000 1.260 434 I CB 1.476 39.443 38.000 -0.056 0.000 1.389 434 I HN 0.063 nan 8.210 nan 0.000 0.484 435 V N 7.008 126.877 119.914 -0.076 0.000 2.350 435 V HA 0.726 4.846 4.120 -0.000 0.000 0.276 435 V C 0.697 176.765 176.094 -0.044 0.000 1.028 435 V CA 0.190 62.453 62.300 -0.062 0.000 0.860 435 V CB 0.277 32.068 31.823 -0.052 0.000 0.990 435 V HN 1.046 nan 8.190 nan 0.000 0.453 436 G N 3.137 111.910 108.800 -0.045 0.000 2.207 436 G HA2 0.394 4.354 3.960 -0.000 0.000 0.193 436 G HA3 0.394 4.354 3.960 -0.000 0.000 0.193 436 G C -0.215 174.664 174.900 -0.035 0.000 1.050 436 G CA 0.161 45.241 45.100 -0.033 0.000 0.780 436 G HN 1.487 nan 8.290 nan 0.000 0.504 437 A N -0.145 122.644 122.820 -0.052 0.000 2.574 437 A HA 0.795 5.115 4.320 -0.000 0.000 0.297 437 A C -0.423 177.090 177.584 -0.117 0.000 1.062 437 A CA -0.631 51.369 52.037 -0.062 0.000 0.686 437 A CB 1.138 20.121 19.000 -0.029 0.000 1.285 437 A HN 0.318 nan 8.150 nan 0.000 0.403 438 E N 0.957 121.034 120.200 -0.205 0.000 2.354 438 E HA 0.392 4.742 4.350 -0.000 0.000 0.269 438 E C 0.077 176.461 176.600 -0.360 0.000 1.036 438 E CA -0.064 56.129 56.400 -0.345 0.000 0.876 438 E CB 0.765 30.079 29.700 -0.642 0.000 1.009 438 E HN 0.624 nan 8.360 nan 0.000 0.416 439 T N 0.411 114.828 114.554 -0.229 0.000 2.782 439 T HA 0.264 4.614 4.350 -0.000 0.000 0.298 439 T C -0.449 174.192 174.700 -0.099 0.000 0.944 439 T CA -0.713 61.306 62.100 -0.134 0.000 1.001 439 T CB -0.420 68.424 68.868 -0.040 0.000 0.932 439 T HN 0.167 nan 8.240 nan 0.000 0.524 440 F N 3.775 123.702 119.950 -0.039 0.000 2.471 440 F HA 0.314 4.841 4.527 -0.000 0.000 0.365 440 F C 0.108 175.921 175.800 0.021 0.000 1.095 440 F CA -0.996 56.994 58.000 -0.016 0.000 1.174 440 F CB 0.244 39.118 39.000 -0.209 0.000 1.105 440 F HN 0.542 nan 8.300 nan 0.000 0.535 441 Y N 3.512 123.944 120.300 0.219 0.000 2.477 441 Y HA 0.432 4.982 4.550 -0.000 0.000 0.349 441 Y C 0.176 176.195 175.900 0.198 0.000 0.977 441 Y CA -1.105 57.089 58.100 0.157 0.000 1.214 441 Y CB 0.336 38.858 38.460 0.102 0.000 1.124 441 Y HN 0.304 nan 8.280 nan 0.000 0.521 442 V N 0.343 120.402 119.914 0.243 0.000 2.966 442 V HA 0.827 4.947 4.120 -0.000 0.000 0.317 442 V C -0.396 175.778 176.094 0.135 0.000 1.070 442 V CA -0.640 61.780 62.300 0.201 0.000 1.008 442 V CB 1.988 33.887 31.823 0.126 0.000 1.070 442 V HN 0.654 nan 8.190 nan 0.000 0.457 443 D N -0.836 119.632 120.400 0.114 0.000 2.913 443 D HA 0.634 5.274 4.640 -0.000 0.000 0.293 443 D C -0.587 175.750 176.300 0.062 0.000 1.238 443 D CA 0.545 54.593 54.000 0.078 0.000 0.738 443 D CB 1.457 42.307 40.800 0.083 0.000 1.254 443 D HN 1.211 nan 8.370 nan 0.000 0.429 444 G N -0.867 107.964 108.800 0.052 0.000 2.576 444 G HA2 0.872 4.832 3.960 -0.000 0.000 0.290 444 G HA3 0.872 4.832 3.960 -0.000 0.000 0.290 444 G C -1.703 173.226 174.900 0.048 0.000 1.442 444 G CA 0.051 45.175 45.100 0.040 0.000 0.792 444 G HN 0.931 nan 8.290 nan 0.000 0.491 445 A N -1.223 121.621 122.820 0.041 0.000 2.599 445 A HA 1.122 5.442 4.320 -0.000 0.000 0.290 445 A C -0.590 177.018 177.584 0.039 0.000 1.101 445 A CA 0.217 52.283 52.037 0.049 0.000 0.674 445 A CB 1.242 20.273 19.000 0.051 0.000 1.277 445 A HN 2.633 nan 8.150 nan 0.000 0.419 446 A N 0.110 122.956 122.820 0.043 0.000 2.610 446 A HA 0.770 5.090 4.320 -0.000 0.000 0.291 446 A C -1.321 176.284 177.584 0.036 0.000 1.086 446 A CA -0.403 51.656 52.037 0.036 0.000 0.677 446 A CB 1.317 20.340 19.000 0.038 0.000 1.278 446 A HN 1.328 nan 8.150 nan 0.000 0.414 447 N N -0.299 118.419 118.700 0.030 0.000 2.443 447 N HA 0.404 5.144 4.740 -0.000 0.000 0.269 447 N C 0.893 176.420 175.510 0.028 0.000 0.985 447 N CA -0.616 52.451 53.050 0.028 0.000 0.921 447 N CB 1.085 39.584 38.487 0.021 0.000 1.195 447 N HN 0.584 nan 8.380 nan 0.000 0.492 448 R N 1.966 122.484 120.500 0.031 0.000 2.094 448 R HA -0.157 4.183 4.340 -0.000 0.000 0.239 448 R C 0.592 176.906 176.300 0.024 0.000 1.137 448 R CA 1.743 57.861 56.100 0.030 0.000 0.943 448 R CB -0.136 30.183 30.300 0.031 0.000 0.850 448 R HN 0.711 nan 8.270 nan 0.000 0.433 449 E N -0.264 119.950 120.200 0.022 0.000 2.501 449 E HA -0.151 4.199 4.350 -0.000 0.000 0.203 449 E C 1.315 177.925 176.600 0.016 0.000 1.072 449 E CA 1.449 57.860 56.400 0.018 0.000 0.885 449 E CB 0.003 29.712 29.700 0.016 0.000 0.813 449 E HN 0.575 nan 8.360 nan 0.000 0.556 450 T N -2.747 111.818 114.554 0.018 0.000 2.980 450 T HA 0.070 4.420 4.350 -0.000 0.000 0.252 450 T C 1.102 175.812 174.700 0.017 0.000 0.962 450 T CA 0.269 62.378 62.100 0.016 0.000 0.932 450 T CB 0.291 69.168 68.868 0.014 0.000 1.188 450 T HN 0.222 nan 8.240 nan 0.000 0.500 451 K N 0.848 121.260 120.400 0.020 0.000 3.548 451 K HA -0.156 4.164 4.320 -0.000 0.000 0.296 451 K C -0.536 176.076 176.600 0.020 0.000 1.324 451 K CA 0.951 57.251 56.287 0.021 0.000 0.976 451 K CB -2.657 29.854 32.500 0.019 0.000 1.294 451 K HN 0.535 nan 8.250 nan 0.000 0.464 452 L N 0.451 121.685 121.223 0.018 0.000 2.365 452 L HA 0.885 5.225 4.340 -0.000 0.000 0.267 452 L C 0.666 177.546 176.870 0.018 0.000 1.033 452 L CA -0.415 54.434 54.840 0.016 0.000 0.802 452 L CB 1.851 43.917 42.059 0.012 0.000 1.267 452 L HN 0.316 nan 8.230 nan 0.000 0.457 453 G N 0.118 108.927 108.800 0.015 0.000 2.361 453 G HA2 0.280 4.240 3.960 -0.000 0.000 0.299 453 G HA3 0.280 4.240 3.960 -0.000 0.000 0.299 453 G C -1.845 173.062 174.900 0.011 0.000 1.544 453 G CA -0.874 44.236 45.100 0.016 0.000 0.860 453 G HN 0.448 nan 8.290 nan 0.000 0.610 454 K N -0.552 119.853 120.400 0.008 0.000 2.288 454 K HA 0.918 5.238 4.320 -0.000 0.000 0.234 454 K C -0.314 176.288 176.600 0.004 0.000 1.037 454 K CA -0.516 55.771 56.287 0.000 0.000 0.914 454 K CB 2.255 34.750 32.500 -0.009 0.000 1.197 454 K HN 1.387 nan 8.250 nan 0.000 0.471 455 A N 0.061 122.877 122.820 -0.006 0.000 2.547 455 A HA 0.634 4.954 4.320 -0.000 0.000 0.300 455 A C -0.794 176.774 177.584 -0.026 0.000 1.061 455 A CA -0.107 51.931 52.037 0.002 0.000 0.808 455 A CB 1.352 20.364 19.000 0.019 0.000 1.304 455 A HN 0.794 nan 8.150 nan 0.000 0.393 456 G N 0.309 109.093 108.800 -0.028 0.000 2.588 456 G HA2 0.822 4.782 3.960 -0.000 0.000 0.281 456 G HA3 0.822 4.782 3.960 -0.000 0.000 0.281 456 G C -1.104 173.776 174.900 -0.033 0.000 1.223 456 G CA 0.406 45.427 45.100 -0.132 0.000 0.871 456 G HN 2.092 nan 8.290 nan 0.000 0.492 457 Y N -2.888 117.444 120.300 0.053 0.000 2.725 457 Y HA 0.785 5.335 4.550 -0.000 0.000 0.333 457 Y C -1.311 174.677 175.900 0.146 0.000 1.242 457 Y CA -1.538 56.634 58.100 0.120 0.000 1.059 457 Y CB 1.671 40.225 38.460 0.157 0.000 1.306 457 Y HN 0.552 nan 8.280 nan 0.000 0.454 458 V N 1.446 121.666 119.914 0.510 0.000 2.524 458 V HA 0.399 4.519 4.120 -0.000 0.000 0.297 458 V C -0.227 176.073 176.094 0.342 0.000 1.035 458 V CA -0.425 62.070 62.300 0.324 0.000 0.867 458 V CB 1.358 33.247 31.823 0.109 0.000 1.004 458 V HN 1.008 nan 8.190 nan 0.000 0.426 459 T N 2.487 117.208 114.554 0.278 0.000 2.847 459 T HA 0.195 4.545 4.350 -0.000 0.000 0.279 459 T C 1.459 176.153 174.700 -0.011 0.000 0.984 459 T CA -0.010 62.111 62.100 0.035 0.000 0.988 459 T CB 0.809 69.527 68.868 -0.251 0.000 1.040 459 T HN 0.868 nan 8.240 nan 0.000 0.528 460 N N 1.766 120.439 118.700 -0.044 0.000 2.364 460 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 460 N C 0.847 176.325 175.510 -0.053 0.000 1.022 460 N CA 1.078 54.103 53.050 -0.042 0.000 0.883 460 N CB -0.300 38.178 38.487 -0.014 0.000 0.965 460 N HN 0.574 nan 8.380 nan 0.000 0.438 461 K N -0.071 120.291 120.400 -0.064 0.000 2.627 461 K HA 0.238 4.558 4.320 -0.000 0.000 0.212 461 K C 0.727 177.317 176.600 -0.017 0.000 1.041 461 K CA 0.287 56.547 56.287 -0.044 0.000 1.205 461 K CB -0.205 32.263 32.500 -0.053 0.000 0.936 461 K HN 0.344 nan 8.250 nan 0.000 0.489 462 G N 2.117 110.910 108.800 -0.012 0.000 2.270 462 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.268 462 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.268 462 G C 0.456 175.383 174.900 0.044 0.000 0.982 462 G CA 0.835 45.939 45.100 0.006 0.000 0.628 462 G HN 0.487 nan 8.290 nan 0.000 0.544 463 R N 0.340 120.886 120.500 0.077 0.000 2.919 463 R HA 0.448 4.788 4.340 -0.000 0.000 0.271 463 R C 0.277 176.694 176.300 0.195 0.000 0.995 463 R CA 1.155 57.345 56.100 0.150 0.000 1.158 463 R CB 0.125 30.561 30.300 0.226 0.000 1.071 463 R HN 0.475 nan 8.270 nan 0.000 0.476 464 Q N -0.269 119.636 119.800 0.174 0.000 2.578 464 Q HA 0.377 4.717 4.340 -0.000 0.000 0.284 464 Q C -2.049 173.856 176.000 -0.158 0.000 0.960 464 Q CA -0.914 54.902 55.803 0.023 0.000 0.809 464 Q CB 1.717 30.447 28.738 -0.013 0.000 1.462 464 Q HN 0.542 nan 8.270 nan 0.000 0.392 465 K N -0.113 120.004 120.400 -0.470 0.000 2.589 465 K HA 0.704 5.024 4.320 -0.000 0.000 0.265 465 K C -2.245 174.096 176.600 -0.431 0.000 0.935 465 K CA -0.483 55.513 56.287 -0.486 0.000 0.850 465 K CB 1.926 34.005 32.500 -0.703 0.000 1.372 465 K HN 0.314 nan 8.250 nan 0.000 0.420 466 V N 4.129 123.901 119.914 -0.237 0.000 2.757 466 V HA 0.244 4.364 4.120 -0.000 0.000 0.262 466 V C -0.828 175.209 176.094 -0.095 0.000 0.971 466 V CA -0.547 61.659 62.300 -0.156 0.000 0.906 466 V CB 1.375 33.133 31.823 -0.108 0.000 1.056 466 V HN 0.704 nan 8.190 nan 0.000 0.489 467 V N 3.385 123.252 119.914 -0.078 0.000 2.546 467 V HA 0.772 4.892 4.120 -0.000 0.000 0.284 467 V C -2.200 173.881 176.094 -0.023 0.000 1.050 467 V CA -1.711 60.565 62.300 -0.040 0.000 0.981 467 V CB 1.451 33.260 31.823 -0.023 0.000 0.990 467 V HN 0.614 nan 8.190 nan 0.000 0.474 468 P HA 0.711 nan 4.420 nan 0.000 0.299 468 P C -1.537 175.764 177.300 0.002 0.000 1.323 468 P CA -0.667 62.429 63.100 -0.007 0.000 0.896 468 P CB 2.254 33.949 31.700 -0.008 0.000 1.081 469 L N 1.345 122.572 121.223 0.007 0.000 2.309 469 L HA 0.804 5.144 4.340 -0.000 0.000 0.261 469 L C 0.623 177.501 176.870 0.012 0.000 1.021 469 L CA -0.552 54.295 54.840 0.012 0.000 0.823 469 L CB 1.657 43.725 42.059 0.016 0.000 1.366 469 L HN 0.427 nan 8.230 nan 0.000 0.423 470 T N -2.084 112.478 114.554 0.013 0.000 2.876 470 T HA 0.471 4.820 4.350 -0.000 0.000 0.289 470 T C -0.254 174.456 174.700 0.016 0.000 1.014 470 T CA -0.781 61.327 62.100 0.014 0.000 0.986 470 T CB 1.402 70.277 68.868 0.011 0.000 1.021 470 T HN 0.855 nan 8.240 nan 0.000 0.458 471 N N 1.233 119.944 118.700 0.018 0.000 2.522 471 N HA -0.192 4.548 4.740 -0.000 0.000 0.281 471 N C -1.086 174.438 175.510 0.023 0.000 1.267 471 N CA 0.848 53.910 53.050 0.020 0.000 0.675 471 N CB -0.828 37.670 38.487 0.018 0.000 0.890 471 N HN 1.002 nan 8.380 nan 0.000 0.542 472 T N 0.859 115.430 114.554 0.028 0.000 2.843 472 T HA 0.357 4.707 4.350 -0.000 0.000 0.337 472 T C -1.106 173.617 174.700 0.039 0.000 1.754 472 T CA -0.077 62.043 62.100 0.032 0.000 1.052 472 T CB 1.805 70.688 68.868 0.026 0.000 1.588 472 T HN 0.306 nan 8.240 nan 0.000 0.493 473 T N 2.224 116.807 114.554 0.050 0.000 2.926 473 T HA 0.351 4.701 4.350 -0.000 0.000 0.289 473 T C 1.277 176.015 174.700 0.063 0.000 1.054 473 T CA -0.827 61.308 62.100 0.057 0.000 1.015 473 T CB 1.266 70.174 68.868 0.067 0.000 1.167 473 T HN 0.630 nan 8.240 nan 0.000 0.526 474 N N 0.884 119.625 118.700 0.069 0.000 2.089 474 N HA -0.231 4.509 4.740 -0.000 0.000 0.198 474 N C 1.760 177.313 175.510 0.072 0.000 1.017 474 N CA 1.738 54.832 53.050 0.072 0.000 0.880 474 N CB -0.351 38.187 38.487 0.086 0.000 1.042 474 N HN 0.507 nan 8.380 nan 0.000 0.446 475 Q N 0.219 120.088 119.800 0.115 0.000 2.124 475 Q HA 0.012 4.352 4.340 -0.000 0.000 0.202 475 Q C 1.707 177.698 176.000 -0.016 0.000 0.977 475 Q CA 1.301 57.184 55.803 0.134 0.000 0.850 475 Q CB 0.029 29.014 28.738 0.412 0.000 0.901 475 Q HN 0.448 nan 8.270 nan 0.000 0.429 476 K N -0.540 119.879 120.400 0.032 0.000 2.116 476 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 476 K C 2.278 178.864 176.600 -0.024 0.000 1.052 476 K CA 1.516 57.797 56.287 -0.010 0.000 0.952 476 K CB -0.146 32.371 32.500 0.028 0.000 0.729 476 K HN 0.373 nan 8.250 nan 0.000 0.446 477 T N -0.512 114.044 114.554 0.003 0.000 2.777 477 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 477 T C 1.924 176.625 174.700 0.001 0.000 1.040 477 T CA 1.285 63.391 62.100 0.010 0.000 1.141 477 T CB -0.119 68.764 68.868 0.025 0.000 0.868 477 T HN 0.143 nan 8.240 nan 0.000 0.444 478 E N 0.158 120.351 120.200 -0.012 0.000 2.268 478 E HA 0.075 4.425 4.350 -0.000 0.000 0.195 478 E C 1.757 178.323 176.600 -0.056 0.000 0.995 478 E CA 0.348 56.738 56.400 -0.016 0.000 0.836 478 E CB -0.255 29.439 29.700 -0.009 0.000 0.763 478 E HN 0.439 nan 8.360 nan 0.000 0.491 479 L N 0.179 121.334 121.223 -0.113 0.000 2.509 479 L HA 0.038 4.378 4.340 -0.000 0.000 0.222 479 L C 1.830 178.665 176.870 -0.059 0.000 1.123 479 L CA 0.882 55.633 54.840 -0.148 0.000 0.856 479 L CB 0.106 42.007 42.059 -0.263 0.000 0.985 479 L HN 0.046 nan 8.230 nan 0.000 0.456 480 Q N -0.418 119.373 119.800 -0.015 0.000 2.061 480 Q HA 0.036 4.376 4.340 -0.000 0.000 0.195 480 Q C 2.238 178.293 176.000 0.092 0.000 0.967 480 Q CA 1.703 57.534 55.803 0.046 0.000 0.829 480 Q CB -0.275 28.485 28.738 0.038 0.000 0.900 480 Q HN 0.460 nan 8.270 nan 0.000 0.450 481 A N 1.051 123.910 122.820 0.065 0.000 1.859 481 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 481 A C 2.100 179.734 177.584 0.083 0.000 1.209 481 A CA 2.052 54.143 52.037 0.090 0.000 0.639 481 A CB -1.291 17.762 19.000 0.087 0.000 0.835 481 A HN 0.513 nan 8.150 nan 0.000 0.450 482 I N -1.732 118.868 120.570 0.051 0.000 2.479 482 I HA -0.317 3.853 4.170 -0.000 0.000 0.258 482 I C 2.413 178.562 176.117 0.055 0.000 1.165 482 I CA 1.796 63.111 61.300 0.025 0.000 1.422 482 I CB -0.431 37.574 38.000 0.008 0.000 1.087 482 I HN 0.576 nan 8.210 nan 0.000 0.441 483 Y N 1.642 121.902 120.300 -0.067 0.000 2.184 483 Y HA -0.151 4.399 4.550 -0.000 0.000 0.290 483 Y C 2.168 178.017 175.900 -0.085 0.000 1.129 483 Y CA 1.237 59.291 58.100 -0.077 0.000 1.144 483 Y CB -0.504 37.921 38.460 -0.059 0.000 0.995 483 Y HN -0.009 nan 8.280 nan 0.000 0.513 484 L N 0.082 121.221 121.223 -0.140 0.000 1.924 484 L HA -0.266 4.074 4.340 -0.000 0.000 0.222 484 L C 2.744 179.396 176.870 -0.364 0.000 1.081 484 L CA 1.611 56.326 54.840 -0.208 0.000 0.780 484 L CB -1.552 40.573 42.059 0.110 0.000 0.891 484 L HN 0.172 nan 8.230 nan 0.000 0.434 485 A N -0.052 122.471 122.820 -0.496 0.000 2.144 485 A HA -0.232 4.088 4.320 -0.000 0.000 0.225 485 A C 1.962 179.173 177.584 -0.622 0.000 1.181 485 A CA 1.964 53.387 52.037 -1.024 0.000 0.680 485 A CB -1.116 17.390 19.000 -0.822 0.000 0.819 485 A HN 0.486 nan 8.150 nan 0.000 0.485 486 L N -1.884 119.119 121.223 -0.367 0.000 2.728 486 L HA 0.117 4.456 4.340 -0.000 0.000 0.235 486 L C 1.674 178.389 176.870 -0.259 0.000 1.197 486 L CA 0.063 54.761 54.840 -0.235 0.000 0.992 486 L CB -0.085 41.905 42.059 -0.116 0.000 1.263 486 L HN 0.499 nan 8.230 nan 0.000 0.484 487 Q N -1.260 118.346 119.800 -0.322 0.000 2.477 487 Q HA 0.069 4.409 4.340 -0.000 0.000 0.197 487 Q C -0.079 175.804 176.000 -0.195 0.000 0.706 487 Q CA -0.159 55.486 55.803 -0.264 0.000 0.900 487 Q CB 0.571 29.096 28.738 -0.355 0.000 1.285 487 Q HN 0.202 nan 8.270 nan 0.000 0.504 488 D N 1.479 121.729 120.400 -0.250 0.000 2.848 488 D HA 0.216 4.856 4.640 -0.000 0.000 0.232 488 D C -0.838 175.339 176.300 -0.204 0.000 1.107 488 D CA 0.456 54.349 54.000 -0.178 0.000 1.020 488 D CB 0.310 41.025 40.800 -0.142 0.000 1.148 488 D HN -0.083 nan 8.370 nan 0.000 0.453 489 S N -1.490 114.170 115.700 -0.067 0.000 2.578 489 S HA 0.577 5.047 4.470 -0.000 0.000 0.272 489 S C 0.703 175.339 174.600 0.060 0.000 1.145 489 S CA -0.585 57.685 58.200 0.117 0.000 0.835 489 S CB 0.919 64.197 63.200 0.131 0.000 1.104 489 S HN 0.228 nan 8.310 nan 0.000 0.458 490 G N 1.009 109.860 108.800 0.084 0.000 2.679 490 G HA2 0.237 4.197 3.960 -0.000 0.000 0.158 490 G HA3 0.237 4.197 3.960 -0.000 0.000 0.158 490 G C 0.407 175.323 174.900 0.027 0.000 1.702 490 G CA 0.360 45.485 45.100 0.042 0.000 1.041 490 G HN 0.570 nan 8.290 nan 0.000 0.507 491 L N -0.252 120.986 121.223 0.026 0.000 2.766 491 L HA 0.430 4.770 4.340 -0.000 0.000 0.242 491 L C 0.275 177.165 176.870 0.032 0.000 1.136 491 L CA 0.288 55.142 54.840 0.024 0.000 0.933 491 L CB 0.243 42.315 42.059 0.021 0.000 1.241 491 L HN 0.415 nan 8.230 nan 0.000 0.522 492 E N -1.015 119.207 120.200 0.037 0.000 2.308 492 E HA 0.649 4.999 4.350 -0.000 0.000 0.275 492 E C -1.680 174.951 176.600 0.052 0.000 0.890 492 E CA -0.389 56.035 56.400 0.040 0.000 0.754 492 E CB 3.284 32.998 29.700 0.023 0.000 1.207 492 E HN -0.202 nan 8.360 nan 0.000 0.426 493 V N 2.296 122.251 119.914 0.068 0.000 3.236 493 V HA 0.360 4.480 4.120 -0.000 0.000 0.287 493 V C -1.999 174.159 176.094 0.107 0.000 1.491 493 V CA -0.618 61.738 62.300 0.092 0.000 1.037 493 V CB 2.485 34.415 31.823 0.179 0.000 1.160 493 V HN 0.771 nan 8.190 nan 0.000 0.453 494 N N 4.654 123.407 118.700 0.089 0.000 2.407 494 N HA 0.699 5.438 4.740 -0.000 0.000 0.277 494 N C -1.140 174.436 175.510 0.110 0.000 0.995 494 N CA -0.591 52.532 53.050 0.121 0.000 0.903 494 N CB 1.919 40.410 38.487 0.006 0.000 1.218 494 N HN 0.541 nan 8.380 nan 0.000 0.487 495 I N 1.533 122.175 120.570 0.119 0.000 2.693 495 I HA 0.521 4.691 4.170 -0.000 0.000 0.303 495 I C -0.477 175.629 176.117 -0.020 0.000 1.025 495 I CA -1.140 60.196 61.300 0.060 0.000 1.086 495 I CB 2.170 40.202 38.000 0.052 0.000 1.268 495 I HN 0.087 nan 8.210 nan 0.000 0.440 496 V N 3.337 123.197 119.914 -0.089 0.000 2.569 496 V HA 0.450 4.570 4.120 -0.000 0.000 0.301 496 V C -0.213 175.843 176.094 -0.064 0.000 1.044 496 V CA -0.293 61.922 62.300 -0.143 0.000 0.874 496 V CB 2.074 33.647 31.823 -0.416 0.000 1.002 496 V HN 0.933 nan 8.190 nan 0.000 0.424 497 T N 1.484 116.013 114.554 -0.041 0.000 2.807 497 T HA 0.510 4.860 4.350 -0.000 0.000 0.277 497 T C 0.066 174.668 174.700 -0.163 0.000 1.006 497 T CA -0.366 61.718 62.100 -0.027 0.000 1.006 497 T CB 1.944 70.842 68.868 0.049 0.000 1.274 497 T HN 0.743 nan 8.240 nan 0.000 0.569 498 D N -1.095 119.232 120.400 -0.121 0.000 2.520 498 D HA 0.058 4.698 4.640 -0.000 0.000 0.223 498 D C 0.438 176.863 176.300 0.209 0.000 1.186 498 D CA -0.193 53.640 54.000 -0.279 0.000 0.821 498 D CB -0.125 40.542 40.800 -0.222 0.000 1.072 498 D HN 0.462 nan 8.370 nan 0.000 0.518 499 S N 0.545 116.393 115.700 0.247 0.000 2.410 499 S HA 0.239 4.709 4.470 -0.000 0.000 0.304 499 S C 0.811 175.614 174.600 0.337 0.000 1.095 499 S CA -0.437 57.930 58.200 0.277 0.000 1.089 499 S CB 1.985 65.261 63.200 0.126 0.000 0.968 499 S HN -0.180 nan 8.310 nan 0.000 0.480 500 Q N 2.685 122.659 119.800 0.290 0.000 2.119 500 Q HA -0.066 4.274 4.340 -0.000 0.000 0.201 500 Q C 1.512 177.599 176.000 0.146 0.000 0.972 500 Q CA 1.524 57.342 55.803 0.025 0.000 0.847 500 Q CB -0.683 27.957 28.738 -0.164 0.000 0.903 500 Q HN 0.874 nan 8.270 nan 0.000 0.433 501 Y N 1.554 121.878 120.300 0.040 0.000 1.977 501 Y HA -0.355 4.195 4.550 -0.000 0.000 0.264 501 Y C 2.259 178.194 175.900 0.060 0.000 1.167 501 Y CA 1.777 59.908 58.100 0.051 0.000 1.102 501 Y CB -1.238 37.260 38.460 0.063 0.000 0.948 501 Y HN 0.105 nan 8.280 nan 0.000 0.489 502 A N 0.421 123.218 122.820 -0.038 0.000 1.940 502 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 502 A C 2.308 179.909 177.584 0.029 0.000 1.176 502 A CA 1.774 53.711 52.037 -0.166 0.000 0.631 502 A CB -1.257 17.625 19.000 -0.196 0.000 0.814 502 A HN 0.563 nan 8.150 nan 0.000 0.446 503 L N 0.216 121.493 121.223 0.089 0.000 1.994 503 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 503 L C 2.357 179.278 176.870 0.084 0.000 1.071 503 L CA 2.487 57.378 54.840 0.085 0.000 0.745 503 L CB -1.531 40.587 42.059 0.100 0.000 0.892 503 L HN 0.310 nan 8.230 nan 0.000 0.431 504 G N 0.219 109.068 108.800 0.082 0.000 2.639 504 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.216 504 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.216 504 G C 1.681 176.732 174.900 0.252 0.000 1.267 504 G CA 1.357 46.519 45.100 0.104 0.000 0.801 504 G HN 0.483 nan 8.290 nan 0.000 0.592 505 I N 0.838 121.575 120.570 0.278 0.000 2.178 505 I HA -0.323 3.847 4.170 -0.000 0.000 0.243 505 I C 2.716 178.964 176.117 0.218 0.000 1.019 505 I CA 1.530 62.986 61.300 0.260 0.000 1.294 505 I CB -0.452 37.641 38.000 0.156 0.000 0.996 505 I HN 0.181 nan 8.210 nan 0.000 0.415 506 I N 0.273 120.950 120.570 0.178 0.000 2.133 506 I HA -0.268 3.902 4.170 -0.000 0.000 0.238 506 I C 2.586 178.853 176.117 0.250 0.000 1.074 506 I CA 1.570 62.995 61.300 0.207 0.000 1.342 506 I CB -1.488 36.604 38.000 0.153 0.000 1.053 506 I HN 0.377 nan 8.210 nan 0.000 0.404 507 Q N 0.905 120.850 119.800 0.241 0.000 2.197 507 Q HA -0.220 4.120 4.340 -0.000 0.000 0.211 507 Q C 2.129 178.275 176.000 0.244 0.000 0.993 507 Q CA 2.025 57.990 55.803 0.271 0.000 0.883 507 Q CB -0.443 28.503 28.738 0.345 0.000 0.916 507 Q HN 0.586 nan 8.270 nan 0.000 0.418 508 A N 0.645 123.635 122.820 0.284 0.000 2.272 508 A HA -0.193 4.127 4.320 -0.000 0.000 0.213 508 A C 0.398 177.951 177.584 -0.053 0.000 1.183 508 A CA 0.728 52.779 52.037 0.023 0.000 0.719 508 A CB -0.364 18.748 19.000 0.187 0.000 0.771 508 A HN 0.477 nan 8.150 nan 0.000 0.484 509 Q N -1.709 118.052 119.800 -0.066 0.000 2.451 509 Q HA -0.146 4.194 4.340 -0.000 0.000 0.305 509 Q C -2.120 173.778 176.000 -0.170 0.000 1.345 509 Q CA 0.386 55.976 55.803 -0.356 0.000 0.854 509 Q CB -1.814 26.624 28.738 -0.501 0.000 1.162 509 Q HN 0.616 nan 8.270 nan 0.000 0.440 510 P HA -0.086 nan 4.420 nan 0.000 0.269 510 P C 0.190 177.619 177.300 0.215 0.000 1.211 510 P CA 0.898 64.093 63.100 0.157 0.000 0.781 510 P CB 0.520 32.340 31.700 0.199 0.000 0.877 511 D N -1.025 119.472 120.400 0.163 0.000 2.615 511 D HA 0.198 4.838 4.640 -0.000 0.000 0.274 511 D C -0.313 176.030 176.300 0.073 0.000 1.512 511 D CA -0.266 53.835 54.000 0.169 0.000 0.803 511 D CB 0.009 40.960 40.800 0.252 0.000 1.182 511 D HN 0.237 nan 8.370 nan 0.000 0.473 512 K N -0.747 119.704 120.400 0.085 0.000 2.740 512 K HA 0.561 4.881 4.320 -0.000 0.000 0.279 512 K C -2.034 174.630 176.600 0.107 0.000 1.038 512 K CA -0.129 56.193 56.287 0.059 0.000 0.887 512 K CB 1.049 33.581 32.500 0.053 0.000 1.411 512 K HN -0.029 nan 8.250 nan 0.000 0.381 513 S N 1.225 116.984 115.700 0.099 0.000 2.800 513 S HA 0.496 4.965 4.470 -0.000 0.000 0.293 513 S C -0.386 174.276 174.600 0.105 0.000 1.209 513 S CA 0.021 58.321 58.200 0.166 0.000 0.884 513 S CB 1.257 64.636 63.200 0.298 0.000 1.244 513 S HN 0.622 nan 8.310 nan 0.000 0.540 514 E N 1.076 121.347 120.200 0.118 0.000 2.110 514 E HA 0.261 4.611 4.350 -0.000 0.000 0.193 514 E C 0.473 177.111 176.600 0.064 0.000 0.950 514 E CA 0.818 57.257 56.400 0.065 0.000 0.840 514 E CB 0.078 29.799 29.700 0.036 0.000 0.809 514 E HN 0.626 nan 8.360 nan 0.000 0.465 515 S N 0.755 116.516 115.700 0.101 0.000 2.576 515 S HA 0.112 4.582 4.470 -0.000 0.000 0.276 515 S C 0.869 175.474 174.600 0.008 0.000 1.339 515 S CA -0.587 57.648 58.200 0.058 0.000 1.039 515 S CB 1.147 64.397 63.200 0.084 0.000 0.902 515 S HN 0.041 nan 8.310 nan 0.000 0.516 516 E N 1.053 121.235 120.200 -0.030 0.000 2.072 516 E HA -0.084 4.265 4.350 -0.000 0.000 0.191 516 E C 1.930 178.439 176.600 -0.152 0.000 0.985 516 E CA 0.431 56.786 56.400 -0.075 0.000 0.801 516 E CB -0.465 29.194 29.700 -0.069 0.000 0.750 516 E HN 0.656 nan 8.360 nan 0.000 0.452 517 L N 1.208 122.329 121.223 -0.171 0.000 2.011 517 L HA -0.205 4.135 4.340 -0.000 0.000 0.225 517 L C 2.028 178.709 176.870 -0.314 0.000 1.084 517 L CA 1.890 56.556 54.840 -0.289 0.000 0.791 517 L CB -1.041 40.907 42.059 -0.186 0.000 0.898 517 L HN -0.022 nan 8.230 nan 0.000 0.440 518 V N 0.308 120.106 119.914 -0.192 0.000 3.510 518 V HA -0.075 4.045 4.120 -0.000 0.000 0.270 518 V C 2.047 178.065 176.094 -0.128 0.000 1.201 518 V CA 0.852 63.043 62.300 -0.181 0.000 1.166 518 V CB -0.811 30.876 31.823 -0.227 0.000 0.825 518 V HN 0.491 nan 8.190 nan 0.000 0.484 519 N N -0.142 118.482 118.700 -0.127 0.000 2.415 519 N HA 0.009 4.749 4.740 -0.000 0.000 0.174 519 N C 1.788 177.222 175.510 -0.128 0.000 1.048 519 N CA 0.579 53.573 53.050 -0.093 0.000 0.895 519 N CB 0.519 38.965 38.487 -0.069 0.000 1.036 519 N HN 0.553 nan 8.380 nan 0.000 0.449 520 Q N 0.231 119.909 119.800 -0.204 0.000 2.165 520 Q HA 0.206 4.545 4.340 -0.000 0.000 0.197 520 Q C 1.990 177.894 176.000 -0.160 0.000 0.952 520 Q CA 0.494 56.172 55.803 -0.209 0.000 0.848 520 Q CB 0.401 28.901 28.738 -0.395 0.000 0.931 520 Q HN 0.274 nan 8.270 nan 0.000 0.470 521 I N 0.887 121.295 120.570 -0.271 0.000 2.530 521 I HA -0.269 3.901 4.170 -0.000 0.000 0.257 521 I C 1.993 178.034 176.117 -0.127 0.000 1.179 521 I CA 1.123 62.363 61.300 -0.100 0.000 1.440 521 I CB -0.227 37.695 38.000 -0.130 0.000 1.087 521 I HN 0.275 nan 8.210 nan 0.000 0.440 522 I N 0.299 120.778 120.570 -0.150 0.000 2.233 522 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 522 I C 2.568 178.570 176.117 -0.192 0.000 1.093 522 I CA 1.008 62.189 61.300 -0.198 0.000 1.380 522 I CB -0.284 37.664 38.000 -0.087 0.000 1.067 522 I HN 0.120 nan 8.210 nan 0.000 0.413 523 E N 1.256 121.390 120.200 -0.111 0.000 2.097 523 E HA -0.306 4.044 4.350 -0.000 0.000 0.196 523 E C 2.295 178.861 176.600 -0.057 0.000 1.000 523 E CA 2.379 58.733 56.400 -0.078 0.000 0.804 523 E CB -0.407 29.266 29.700 -0.045 0.000 0.740 523 E HN 0.502 nan 8.360 nan 0.000 0.454 524 Q N -0.255 119.530 119.800 -0.025 0.000 2.124 524 Q HA -0.096 4.243 4.340 -0.000 0.000 0.202 524 Q C 2.225 178.172 176.000 -0.087 0.000 0.977 524 Q CA 1.705 57.490 55.803 -0.029 0.000 0.850 524 Q CB -0.767 27.977 28.738 0.010 0.000 0.901 524 Q HN 0.276 nan 8.270 nan 0.000 0.429 525 L N 0.167 121.276 121.223 -0.191 0.000 2.056 525 L HA 0.015 4.354 4.340 -0.000 0.000 0.207 525 L C 2.464 179.253 176.870 -0.134 0.000 1.078 525 L CA 1.671 56.339 54.840 -0.287 0.000 0.749 525 L CB -0.719 40.838 42.059 -0.837 0.000 0.901 525 L HN 0.630 nan 8.230 nan 0.000 0.433 526 I N -1.008 119.507 120.570 -0.091 0.000 2.493 526 I HA -0.287 3.883 4.170 -0.000 0.000 0.254 526 I C 2.558 178.708 176.117 0.056 0.000 1.160 526 I CA 1.167 62.508 61.300 0.068 0.000 1.445 526 I CB -0.029 38.015 38.000 0.074 0.000 1.086 526 I HN 0.302 nan 8.210 nan 0.000 0.433 527 K N 1.192 121.596 120.400 0.007 0.000 1.991 527 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 527 K C 0.692 177.304 176.600 0.019 0.000 1.045 527 K CA 0.689 56.982 56.287 0.011 0.000 0.937 527 K CB 0.088 32.583 32.500 -0.009 0.000 0.720 527 K HN 0.209 nan 8.250 nan 0.000 0.438 528 K N 0.819 121.223 120.400 0.008 0.000 2.344 528 K HA -0.091 4.229 4.320 -0.000 0.000 0.260 528 K C 0.801 177.427 176.600 0.042 0.000 0.988 528 K CA 0.371 56.669 56.287 0.019 0.000 0.909 528 K CB 0.601 33.106 32.500 0.009 0.000 0.968 528 K HN 0.204 nan 8.250 nan 0.000 0.505 529 E N 0.539 120.765 120.200 0.044 0.000 2.431 529 E HA 0.023 4.373 4.350 -0.000 0.000 0.200 529 E C -0.612 176.025 176.600 0.061 0.000 0.995 529 E CA 0.449 56.880 56.400 0.052 0.000 0.915 529 E CB 0.551 30.275 29.700 0.040 0.000 0.930 529 E HN 0.256 nan 8.360 nan 0.000 0.496 530 K N 0.466 120.903 120.400 0.063 0.000 2.587 530 K HA 0.303 4.623 4.320 -0.000 0.000 0.256 530 K C -1.715 174.939 176.600 0.090 0.000 0.974 530 K CA -0.389 55.944 56.287 0.077 0.000 0.855 530 K CB 2.450 34.986 32.500 0.061 0.000 1.292 530 K HN -0.158 nan 8.250 nan 0.000 0.444 531 V N 2.452 122.438 119.914 0.120 0.000 3.040 531 V HA 0.579 4.699 4.120 -0.000 0.000 0.312 531 V C -1.371 174.850 176.094 0.212 0.000 1.115 531 V CA -0.998 61.385 62.300 0.138 0.000 0.998 531 V CB 2.186 34.069 31.823 0.101 0.000 1.042 531 V HN 0.786 nan 8.190 nan 0.000 0.433 532 Y N 2.779 123.107 120.300 0.047 0.000 2.390 532 Y HA 0.719 5.269 4.550 -0.000 0.000 0.324 532 Y C -2.149 173.772 175.900 0.036 0.000 1.151 532 Y CA -0.820 57.307 58.100 0.045 0.000 1.053 532 Y CB 1.430 39.907 38.460 0.029 0.000 1.277 532 Y HN 0.520 nan 8.280 nan 0.000 0.432 533 L N 5.813 126.835 121.223 -0.335 0.000 2.346 533 L HA 0.996 5.335 4.340 -0.000 0.000 0.274 533 L C -0.302 176.329 176.870 -0.399 0.000 1.007 533 L CA -0.555 54.160 54.840 -0.208 0.000 0.818 533 L CB 1.819 43.832 42.059 -0.076 0.000 1.284 533 L HN 0.764 nan 8.230 nan 0.000 0.424 534 A N 0.968 123.715 122.820 -0.122 0.000 2.485 534 A HA 0.856 5.176 4.320 -0.000 0.000 0.292 534 A C -2.145 175.490 177.584 0.085 0.000 1.147 534 A CA -0.519 51.501 52.037 -0.028 0.000 0.750 534 A CB 1.335 20.412 19.000 0.130 0.000 1.331 534 A HN 0.715 nan 8.150 nan 0.000 0.419 535 W N 0.101 121.372 121.300 -0.048 0.000 2.950 535 W HA 0.669 5.329 4.660 -0.000 0.000 0.340 535 W C -1.878 174.639 176.519 -0.003 0.000 1.139 535 W CA -0.422 56.905 57.345 -0.030 0.000 1.188 535 W CB 1.884 31.317 29.460 -0.044 0.000 1.426 535 W HN 0.599 nan 8.180 nan 0.000 0.531 536 V N 5.279 124.507 119.914 -1.142 0.000 2.969 536 V HA 0.372 4.492 4.120 -0.000 0.000 0.304 536 V C -2.112 173.043 176.094 -1.565 0.000 1.192 536 V CA -1.855 59.820 62.300 -1.042 0.000 0.962 536 V CB 3.052 34.627 31.823 -0.413 0.000 1.045 536 V HN 0.410 nan 8.190 nan 0.000 0.428 537 P HA 0.161 nan 4.420 nan 0.000 0.266 537 P C 0.010 177.141 177.300 -0.283 0.000 1.419 537 P CA 0.271 63.033 63.100 -0.563 0.000 1.112 537 P CB 0.391 32.028 31.700 -0.106 0.000 1.438 538 A N 3.710 126.361 122.820 -0.282 0.000 2.583 538 A HA -0.077 4.243 4.320 -0.000 0.000 0.231 538 A C 0.809 178.411 177.584 0.029 0.000 1.065 538 A CA 0.497 52.472 52.037 -0.103 0.000 0.760 538 A CB -1.083 17.840 19.000 -0.128 0.000 1.001 538 A HN 0.779 nan 8.150 nan 0.000 0.509 539 H N -0.595 118.457 119.070 -0.029 0.000 2.969 539 H HA -0.224 4.332 4.556 -0.000 0.000 0.269 539 H C 1.146 176.469 175.328 -0.009 0.000 1.230 539 H CA 0.920 56.962 56.048 -0.009 0.000 1.123 539 H CB -1.954 27.813 29.762 0.008 0.000 1.289 539 H HN 0.934 nan 8.280 nan 0.000 0.364 540 K N 0.448 120.901 120.400 0.088 0.000 2.391 540 K HA 0.491 4.811 4.320 -0.000 0.000 0.197 540 K C 1.811 178.426 176.600 0.026 0.000 1.087 540 K CA 1.228 57.541 56.287 0.043 0.000 1.012 540 K CB 0.739 33.245 32.500 0.010 0.000 0.925 540 K HN 0.774 nan 8.250 nan 0.000 0.547 541 G N 0.127 108.940 108.800 0.021 0.000 2.253 541 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.209 541 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.209 541 G C 0.187 175.089 174.900 0.003 0.000 0.997 541 G CA -0.108 44.997 45.100 0.009 0.000 0.640 541 G HN 0.327 nan 8.290 nan 0.000 0.496 542 I N 3.297 123.868 120.570 0.002 0.000 2.978 542 I HA 0.049 4.219 4.170 -0.000 0.000 0.293 542 I C 2.245 178.370 176.117 0.013 0.000 1.218 542 I CA 1.231 62.536 61.300 0.009 0.000 1.393 542 I CB -0.721 37.277 38.000 -0.003 0.000 1.394 542 I HN 0.301 nan 8.210 nan 0.000 0.541 543 G N 6.533 115.333 108.800 -0.000 0.000 2.896 543 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.225 543 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.225 543 G C 1.498 176.333 174.900 -0.108 0.000 1.265 543 G CA 1.074 46.147 45.100 -0.045 0.000 0.778 543 G HN 0.813 nan 8.290 nan 0.000 0.714 544 G N 0.248 108.923 108.800 -0.208 0.000 2.657 544 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.224 544 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.224 544 G C 1.636 176.416 174.900 -0.200 0.000 1.086 544 G CA 1.691 46.323 45.100 -0.780 0.000 0.730 544 G HN 0.601 nan 8.290 nan 0.000 0.602 545 N N -0.374 118.363 118.700 0.062 0.000 2.176 545 N HA 0.033 4.773 4.740 -0.000 0.000 0.187 545 N C 2.018 177.544 175.510 0.026 0.000 1.043 545 N CA 0.761 53.867 53.050 0.094 0.000 0.851 545 N CB -0.045 38.484 38.487 0.070 0.000 1.018 545 N HN 0.353 nan 8.380 nan 0.000 0.436 546 E N 0.435 120.636 120.200 0.000 0.000 2.196 546 E HA -0.398 3.952 4.350 -0.000 0.000 0.222 546 E C 1.855 178.442 176.600 -0.022 0.000 1.072 546 E CA 1.756 58.148 56.400 -0.014 0.000 0.902 546 E CB -0.218 29.465 29.700 -0.029 0.000 0.780 546 E HN 0.310 nan 8.360 nan 0.000 0.467 547 Q N -0.096 119.677 119.800 -0.045 0.000 1.943 547 Q HA -0.217 4.122 4.340 -0.000 0.000 0.213 547 Q C 2.394 178.388 176.000 -0.010 0.000 1.017 547 Q CA 2.331 58.107 55.803 -0.045 0.000 0.874 547 Q CB -0.709 27.977 28.738 -0.087 0.000 0.960 547 Q HN 0.336 nan 8.270 nan 0.000 0.417 548 V N 0.239 120.165 119.914 0.021 0.000 2.380 548 V HA -0.304 3.816 4.120 -0.000 0.000 0.251 548 V C 1.827 177.942 176.094 0.034 0.000 1.063 548 V CA 2.099 64.430 62.300 0.052 0.000 1.055 548 V CB -1.012 30.882 31.823 0.118 0.000 0.657 548 V HN 0.357 nan 8.190 nan 0.000 0.455 549 D N 0.642 121.061 120.400 0.033 0.000 2.137 549 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 549 D C 2.219 178.519 176.300 0.000 0.000 0.993 549 D CA 1.592 55.607 54.000 0.025 0.000 0.846 549 D CB -0.205 40.605 40.800 0.017 0.000 0.990 549 D HN 0.177 nan 8.370 nan 0.000 0.448 550 K N -0.216 120.174 120.400 -0.015 0.000 2.107 550 K HA -0.196 4.123 4.320 -0.000 0.000 0.211 550 K C 2.201 178.790 176.600 -0.018 0.000 1.049 550 K CA 0.608 56.882 56.287 -0.023 0.000 0.927 550 K CB -0.843 31.641 32.500 -0.027 0.000 0.714 550 K HN 0.259 nan 8.250 nan 0.000 0.452 551 L N 0.601 121.815 121.223 -0.015 0.000 2.127 551 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 551 L C 1.790 178.649 176.870 -0.019 0.000 1.089 551 L CA 1.356 56.184 54.840 -0.019 0.000 0.757 551 L CB 0.103 42.150 42.059 -0.021 0.000 0.899 551 L HN -0.101 nan 8.230 nan 0.000 0.434 552 V N -2.798 117.111 119.914 -0.008 0.000 3.643 552 V HA 0.149 4.269 4.120 -0.000 0.000 0.280 552 V C 1.640 177.735 176.094 0.001 0.000 1.351 552 V CA 0.665 62.963 62.300 -0.003 0.000 1.073 552 V CB 0.232 32.060 31.823 0.009 0.000 0.863 552 V HN 0.267 nan 8.190 nan 0.000 0.436 553 S N 1.786 117.484 115.700 -0.004 0.000 2.803 553 S HA 0.293 4.763 4.470 -0.000 0.000 0.228 553 S C 1.244 175.837 174.600 -0.011 0.000 0.953 553 S CA 0.442 58.637 58.200 -0.008 0.000 0.983 553 S CB -0.178 63.007 63.200 -0.024 0.000 0.784 553 S HN 0.537 nan 8.310 nan 0.000 0.498 554 A N 1.913 124.728 122.820 -0.009 0.000 3.026 554 A HA 0.551 4.870 4.320 -0.000 0.000 0.272 554 A C 0.965 178.546 177.584 -0.005 0.000 1.782 554 A CA 0.015 52.046 52.037 -0.010 0.000 1.451 554 A CB -1.070 17.924 19.000 -0.011 0.000 1.081 554 A HN 0.594 nan 8.150 nan 0.000 0.611 555 G N 0.733 109.531 108.800 -0.004 0.000 2.327 555 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.234 555 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.234 555 G C 0.106 175.008 174.900 0.004 0.000 1.884 555 G CA -0.070 45.031 45.100 0.001 0.000 1.132 555 G HN 0.734 nan 8.290 nan 0.000 0.633 556 I N -0.487 120.083 120.570 -0.001 0.000 3.783 556 I HA 0.560 4.730 4.170 -0.000 0.000 0.310 556 I C 1.147 177.267 176.117 0.005 0.000 1.274 556 I CA 1.229 62.529 61.300 -0.002 0.000 1.294 556 I CB 0.018 38.008 38.000 -0.018 0.000 1.051 556 I HN 0.811 nan 8.210 nan 0.000 0.435 557 R N 0.476 120.980 120.500 0.006 0.000 2.835 557 R HA 0.640 4.979 4.340 -0.000 0.000 0.271 557 R C 0.159 176.464 176.300 0.008 0.000 1.013 557 R CA 0.182 56.288 56.100 0.009 0.000 0.876 557 R CB -0.173 30.131 30.300 0.007 0.000 1.348 557 R HN 0.216 nan 8.270 nan 0.000 0.453 558 K N 0.000 120.406 120.400 0.010 0.000 2.780 558 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 558 K CA 0.000 56.292 56.287 0.009 0.000 0.838 558 K CB 0.000 32.504 32.500 0.006 0.000 1.064 558 K HN 0.000 nan 8.250 nan 0.000 0.543