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 1jla_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKXXXXK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSIXXETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI CQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLX 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 RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVS 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 0.000 177.357 177.300 0.095 0.000 1.155 1 P CA 0.000 63.142 63.100 0.070 0.000 0.800 1 P CB 0.000 31.731 31.700 0.051 0.000 0.726 2 I N 1.247 121.869 120.570 0.087 0.000 2.312 2 I HA 0.340 4.526 4.170 0.026 0.000 0.291 2 I C 0.306 176.480 176.117 0.094 0.000 1.031 2 I CA -0.365 60.996 61.300 0.103 0.000 1.293 2 I CB 1.367 39.425 38.000 0.096 0.000 1.403 2 I HN 0.084 nan 8.210 nan 0.000 0.484 3 S N 7.717 123.487 115.700 0.116 0.000 2.549 3 S HA 0.237 4.723 4.470 0.026 0.000 0.279 3 S C -2.055 172.627 174.600 0.135 0.000 1.321 3 S CA -1.032 57.252 58.200 0.140 0.000 1.054 3 S CB 0.586 63.886 63.200 0.168 0.000 0.899 3 S HN 0.337 nan 8.310 nan 0.000 0.497 4 P HA 0.281 nan 4.420 nan 0.000 0.225 4 P C -0.884 176.524 177.300 0.181 0.000 1.768 4 P CA 0.158 63.313 63.100 0.092 0.000 0.943 4 P CB -0.421 31.270 31.700 -0.015 0.000 1.936 5 I N -0.772 119.914 120.570 0.193 0.000 2.707 5 I HA 0.351 4.536 4.170 0.026 0.000 0.309 5 I C 0.812 176.998 176.117 0.115 0.000 1.001 5 I CA -1.396 60.020 61.300 0.193 0.000 1.129 5 I CB 1.276 39.349 38.000 0.121 0.000 1.308 5 I HN -0.098 nan 8.210 nan 0.000 0.466 6 E N 3.255 123.514 120.200 0.098 0.000 2.324 6 E HA 0.104 4.469 4.350 0.026 0.000 0.271 6 E C -0.277 176.356 176.600 0.055 0.000 1.028 6 E CA -0.281 56.161 56.400 0.070 0.000 0.890 6 E CB 0.609 30.346 29.700 0.061 0.000 1.004 6 E HN 0.636 nan 8.360 nan 0.000 0.431 7 T N 0.711 115.301 114.554 0.060 0.000 2.813 7 T HA 0.302 4.667 4.350 0.026 0.000 0.297 7 T C 0.163 174.897 174.700 0.057 0.000 1.036 7 T CA -0.897 61.239 62.100 0.061 0.000 1.044 7 T CB 0.857 69.770 68.868 0.074 0.000 0.993 7 T HN 0.190 nan 8.240 nan 0.000 0.535 8 V N 4.176 124.128 119.914 0.063 0.000 2.439 8 V HA 0.400 4.536 4.120 0.026 0.000 0.282 8 V C -1.820 174.325 176.094 0.086 0.000 1.039 8 V CA -1.946 60.397 62.300 0.072 0.000 0.913 8 V CB 1.122 32.996 31.823 0.085 0.000 0.983 8 V HN 0.880 nan 8.190 nan 0.000 0.460 9 P HA 0.230 nan 4.420 nan 0.000 0.276 9 P C -0.842 176.499 177.300 0.067 0.000 1.264 9 P CA 0.080 63.224 63.100 0.073 0.000 0.769 9 P CB 1.266 33.000 31.700 0.058 0.000 0.840 10 V N 5.311 125.251 119.914 0.043 0.000 2.628 10 V HA 0.421 4.557 4.120 0.026 0.000 0.306 10 V C 0.426 176.501 176.094 -0.031 0.000 1.045 10 V CA -0.466 61.808 62.300 -0.043 0.000 0.905 10 V CB 2.113 33.809 31.823 -0.211 0.000 0.997 10 V HN 0.495 nan 8.190 nan 0.000 0.436 11 K N 3.237 123.616 120.400 -0.035 0.000 2.400 11 K HA 0.684 5.019 4.320 0.026 0.000 0.246 11 K C -1.245 175.399 176.600 0.073 0.000 0.995 11 K CA -0.874 55.457 56.287 0.073 0.000 0.840 11 K CB 2.479 34.995 32.500 0.027 0.000 1.293 11 K HN 0.408 nan 8.250 nan 0.000 0.445 12 L N 1.672 122.930 121.223 0.058 0.000 2.439 12 L HA 0.284 4.639 4.340 0.026 0.000 0.261 12 L C 0.329 177.183 176.870 -0.027 0.000 1.153 12 L CA -0.474 54.361 54.840 -0.008 0.000 0.808 12 L CB 0.641 42.589 42.059 -0.185 0.000 1.126 12 L HN 0.422 nan 8.230 nan 0.000 0.460 13 K N 2.074 122.458 120.400 -0.027 0.000 2.518 13 K HA -0.047 4.289 4.320 0.026 0.000 0.276 13 K C -1.539 175.047 176.600 -0.024 0.000 0.974 13 K CA -0.889 55.378 56.287 -0.032 0.000 0.986 13 K CB 0.251 32.738 32.500 -0.021 0.000 0.901 13 K HN 0.306 nan 8.250 nan 0.000 0.497 14 P HA -0.270 nan 4.420 nan 0.000 0.218 14 P C 0.442 177.742 177.300 -0.000 0.000 1.018 14 P CA 1.734 64.828 63.100 -0.011 0.000 1.016 14 P CB 0.050 31.743 31.700 -0.011 0.000 0.748 15 G N -1.561 107.241 108.800 0.003 0.000 4.403 15 G HA2 0.555 4.530 3.960 0.026 0.000 0.297 15 G HA3 0.555 4.530 3.960 0.026 0.000 0.297 15 G C -0.302 174.607 174.900 0.015 0.000 1.325 15 G CA -0.156 44.951 45.100 0.012 0.000 1.378 15 G HN 0.077 nan 8.290 nan 0.000 0.595 16 M N -0.010 119.595 119.600 0.008 0.000 2.618 16 M HA 0.432 4.928 4.480 0.026 0.000 0.281 16 M C -1.746 174.558 176.300 0.006 0.000 1.267 16 M CA -0.938 54.368 55.300 0.010 0.000 0.845 16 M CB 2.641 35.239 32.600 -0.003 0.000 1.732 16 M HN 0.073 nan 8.290 nan 0.000 0.461 17 D N -0.050 120.370 120.400 0.033 0.000 2.374 17 D HA 0.608 5.264 4.640 0.026 0.000 0.239 17 D C -0.276 176.026 176.300 0.003 0.000 0.991 17 D CA 0.071 54.120 54.000 0.082 0.000 0.960 17 D CB 1.941 42.862 40.800 0.201 0.000 1.284 17 D HN 0.706 nan 8.370 nan 0.000 0.512 18 G N 0.998 109.738 108.800 -0.099 0.000 2.630 18 G HA2 0.291 4.267 3.960 0.026 0.000 0.236 18 G HA3 0.291 4.267 3.960 0.026 0.000 0.236 18 G C -2.186 172.776 174.900 0.104 0.000 1.248 18 G CA -0.702 44.214 45.100 -0.308 0.000 0.844 18 G HN 0.401 nan 8.290 nan 0.000 0.588 19 P HA 0.245 nan 4.420 nan 0.000 0.274 19 P C -0.830 176.633 177.300 0.271 0.000 1.231 19 P CA -0.217 62.991 63.100 0.180 0.000 0.790 19 P CB 1.014 32.798 31.700 0.140 0.000 0.951 20 K N 0.925 121.441 120.400 0.193 0.000 2.950 20 K HA 0.415 4.751 4.320 0.026 0.000 0.199 20 K C -0.915 175.740 176.600 0.092 0.000 1.144 20 K CA -0.811 55.567 56.287 0.151 0.000 0.983 20 K CB 0.701 33.278 32.500 0.127 0.000 1.187 20 K HN 0.195 nan 8.250 nan 0.000 0.595 21 V N 0.726 120.686 119.914 0.076 0.000 2.612 21 V HA 0.388 4.523 4.120 0.026 0.000 0.301 21 V C -0.364 175.754 176.094 0.040 0.000 1.046 21 V CA -0.643 61.686 62.300 0.049 0.000 0.946 21 V CB 1.617 33.453 31.823 0.021 0.000 1.003 21 V HN 0.691 nan 8.190 nan 0.000 0.459 22 K N 3.223 123.657 120.400 0.057 0.000 2.295 22 K HA 0.211 4.546 4.320 0.026 0.000 0.270 22 K C -0.131 176.515 176.600 0.078 0.000 1.011 22 K CA -0.242 56.090 56.287 0.074 0.000 0.953 22 K CB 0.682 33.247 32.500 0.107 0.000 0.956 22 K HN 0.835 nan 8.250 nan 0.000 0.477 23 Q N 3.807 123.647 119.800 0.068 0.000 2.307 23 Q HA 0.018 4.374 4.340 0.026 0.000 0.261 23 Q C -1.415 174.697 176.000 0.187 0.000 1.051 23 Q CA -0.100 55.733 55.803 0.050 0.000 0.911 23 Q CB 0.255 29.006 28.738 0.021 0.000 1.227 23 Q HN 0.354 nan 8.270 nan 0.000 0.418 24 W N 6.793 128.081 121.300 -0.020 0.000 2.520 24 W HA 0.130 4.805 4.660 0.026 0.000 0.337 24 W C -1.845 174.734 176.519 0.099 0.000 1.406 24 W CA -1.661 55.758 57.345 0.123 0.000 1.318 24 W CB -0.311 29.406 29.460 0.429 0.000 1.338 24 W HN 0.639 nan 8.180 nan 0.000 0.570 25 P HA -0.019 nan 4.420 nan 0.000 0.263 25 P C -0.457 176.903 177.300 0.101 0.000 1.175 25 P CA 0.640 63.792 63.100 0.088 0.000 0.761 25 P CB 0.388 32.096 31.700 0.012 0.000 0.794 26 L N 1.531 122.801 121.223 0.079 0.000 2.354 26 L HA 0.480 4.836 4.340 0.026 0.000 0.264 26 L C 1.030 177.930 176.870 0.050 0.000 1.008 26 L CA -0.953 53.934 54.840 0.078 0.000 0.819 26 L CB 2.018 44.117 42.059 0.067 0.000 1.339 26 L HN 0.332 nan 8.230 nan 0.000 0.420 27 T N -2.811 111.778 114.554 0.058 0.000 2.701 27 T HA 0.032 4.398 4.350 0.026 0.000 0.303 27 T C 1.008 175.740 174.700 0.054 0.000 1.030 27 T CA -0.082 62.052 62.100 0.057 0.000 1.010 27 T CB 0.649 69.565 68.868 0.081 0.000 1.007 27 T HN 0.842 nan 8.240 nan 0.000 0.532 28 E N -0.300 119.932 120.200 0.053 0.000 2.204 28 E HA -0.175 4.190 4.350 0.026 0.000 0.194 28 E C 1.944 178.586 176.600 0.070 0.000 0.989 28 E CA 1.015 57.445 56.400 0.049 0.000 0.824 28 E CB -0.201 29.524 29.700 0.043 0.000 0.756 28 E HN 0.854 nan 8.360 nan 0.000 0.477 29 E N 1.568 121.832 120.200 0.107 0.000 2.106 29 E HA -0.182 4.184 4.350 0.026 0.000 0.192 29 E C 1.782 178.502 176.600 0.201 0.000 0.984 29 E CA 1.027 57.535 56.400 0.180 0.000 0.806 29 E CB 0.151 29.988 29.700 0.228 0.000 0.750 29 E HN 0.258 nan 8.360 nan 0.000 0.458 30 K N 0.173 120.634 120.400 0.102 0.000 2.076 30 K HA -0.016 4.320 4.320 0.026 0.000 0.204 30 K C 2.238 178.734 176.600 -0.174 0.000 1.051 30 K CA 1.062 57.267 56.287 -0.137 0.000 0.949 30 K CB -0.069 32.362 32.500 -0.115 0.000 0.726 30 K HN 0.170 nan 8.250 nan 0.000 0.443 31 I N 1.685 122.220 120.570 -0.058 0.000 2.335 31 I HA -0.279 3.906 4.170 0.026 0.000 0.251 31 I C 2.533 178.627 176.117 -0.038 0.000 1.129 31 I CA 1.010 62.286 61.300 -0.041 0.000 1.402 31 I CB -0.279 37.720 38.000 -0.002 0.000 1.069 31 I HN 0.101 nan 8.210 nan 0.000 0.424 32 K N 1.535 121.929 120.400 -0.012 0.000 2.057 32 K HA -0.158 4.178 4.320 0.026 0.000 0.207 32 K C 2.148 178.741 176.600 -0.011 0.000 1.049 32 K CA 1.730 58.028 56.287 0.017 0.000 0.931 32 K CB -0.144 32.397 32.500 0.069 0.000 0.714 32 K HN 0.342 nan 8.250 nan 0.000 0.440 33 A N 1.355 124.115 122.820 -0.100 0.000 1.840 33 A HA -0.081 4.255 4.320 0.026 0.000 0.214 33 A C 2.333 179.811 177.584 -0.178 0.000 1.198 33 A CA 1.060 52.982 52.037 -0.191 0.000 0.608 33 A CB -0.709 17.837 19.000 -0.756 0.000 0.839 33 A HN 0.287 nan 8.150 nan 0.000 0.443 34 L N -0.078 121.014 121.223 -0.219 0.000 2.129 34 L HA -0.206 4.150 4.340 0.026 0.000 0.212 34 L C 2.457 179.295 176.870 -0.055 0.000 1.087 34 L CA 1.091 55.849 54.840 -0.137 0.000 0.757 34 L CB -0.566 41.430 42.059 -0.105 0.000 0.896 34 L HN 0.275 nan 8.230 nan 0.000 0.434 35 V N -0.517 119.381 119.914 -0.026 0.000 2.379 35 V HA -0.210 3.925 4.120 0.026 0.000 0.245 35 V C 2.306 178.401 176.094 0.001 0.000 1.044 35 V CA 1.508 63.820 62.300 0.020 0.000 1.036 35 V CB -0.411 31.430 31.823 0.030 0.000 0.664 35 V HN 0.447 nan 8.190 nan 0.000 0.453 36 E N 0.405 120.599 120.200 -0.011 0.000 2.012 36 E HA -0.235 4.130 4.350 0.026 0.000 0.197 36 E C 2.205 178.783 176.600 -0.036 0.000 1.007 36 E CA 1.922 58.318 56.400 -0.007 0.000 0.816 36 E CB -0.338 29.370 29.700 0.013 0.000 0.762 36 E HN 0.511 nan 8.360 nan 0.000 0.451 37 I N 1.117 121.653 120.570 -0.057 0.000 2.145 37 I HA -0.382 3.803 4.170 0.026 0.000 0.244 37 I C 2.629 178.658 176.117 -0.148 0.000 1.075 37 I CA 1.115 62.359 61.300 -0.092 0.000 1.332 37 I CB -0.510 37.427 38.000 -0.105 0.000 1.033 37 I HN 0.266 nan 8.210 nan 0.000 0.410 38 C N 0.126 119.320 119.300 -0.176 0.000 2.432 38 C HA -0.097 4.378 4.460 0.026 0.000 0.280 38 C C 2.961 177.774 174.990 -0.293 0.000 1.353 38 C CA 1.274 60.084 59.018 -0.346 0.000 1.766 38 C CB -1.193 26.257 27.740 -0.483 0.000 1.924 38 C HN 0.536 nan 8.230 nan 0.000 0.509 39 T N 0.614 115.105 114.554 -0.105 0.000 2.904 39 T HA -0.150 4.215 4.350 0.026 0.000 0.267 39 T C 1.660 176.330 174.700 -0.051 0.000 1.059 39 T CA 1.650 63.737 62.100 -0.022 0.000 1.137 39 T CB -0.178 68.700 68.868 0.018 0.000 0.879 39 T HN 0.633 nan 8.240 nan 0.000 0.467 40 E N 1.720 121.875 120.200 -0.075 0.000 2.007 40 E HA -0.081 4.284 4.350 0.026 0.000 0.194 40 E C 2.143 178.683 176.600 -0.099 0.000 0.999 40 E CA 1.388 57.744 56.400 -0.072 0.000 0.811 40 E CB -0.390 29.265 29.700 -0.076 0.000 0.762 40 E HN 0.428 nan 8.360 nan 0.000 0.450 41 M N 0.202 119.706 119.600 -0.161 0.000 2.108 41 M HA -0.192 4.303 4.480 0.026 0.000 0.261 41 M C 2.454 178.662 176.300 -0.152 0.000 1.066 41 M CA 2.101 57.283 55.300 -0.196 0.000 1.107 41 M CB -0.460 31.961 32.600 -0.299 0.000 1.356 41 M HN 0.245 nan 8.290 nan 0.000 0.406 42 E N 0.699 120.807 120.200 -0.153 0.000 2.118 42 E HA -0.213 4.153 4.350 0.026 0.000 0.195 42 E C 1.922 178.513 176.600 -0.015 0.000 0.992 42 E CA 1.146 57.513 56.400 -0.055 0.000 0.804 42 E CB 0.190 29.929 29.700 0.064 0.000 0.741 42 E HN 0.232 nan 8.360 nan 0.000 0.458 43 K N 0.742 121.129 120.400 -0.023 0.000 2.057 43 K HA -0.115 4.221 4.320 0.026 0.000 0.206 43 K C 1.934 178.528 176.600 -0.010 0.000 1.050 43 K CA 1.370 57.651 56.287 -0.009 0.000 0.935 43 K CB -0.193 32.300 32.500 -0.011 0.000 0.715 43 K HN 0.342 nan 8.250 nan 0.000 0.439 44 E N -0.445 119.740 120.200 -0.025 0.000 2.333 44 E HA -0.089 4.277 4.350 0.026 0.000 0.198 44 E C 0.813 177.416 176.600 0.005 0.000 1.007 44 E CA 0.660 57.051 56.400 -0.014 0.000 0.845 44 E CB -0.031 29.649 29.700 -0.033 0.000 0.766 44 E HN 0.506 nan 8.360 nan 0.000 0.507 45 G N 1.354 110.154 108.800 -0.000 0.000 2.141 45 G HA2 -0.308 3.668 3.960 0.026 0.000 0.242 45 G HA3 -0.308 3.668 3.960 0.026 0.000 0.242 45 G C 0.767 175.689 174.900 0.036 0.000 0.982 45 G CA 0.492 45.604 45.100 0.021 0.000 0.662 45 G HN 0.227 nan 8.290 nan 0.000 0.527 46 K N -0.308 120.097 120.400 0.008 0.000 2.228 46 K HA 0.285 4.621 4.320 0.026 0.000 0.202 46 K C 1.325 177.918 176.600 -0.011 0.000 1.051 46 K CA 1.359 57.672 56.287 0.043 0.000 0.960 46 K CB 0.256 32.751 32.500 -0.008 0.000 0.743 46 K HN 0.827 nan 8.250 nan 0.000 0.458 47 I N -2.954 117.560 120.570 -0.093 0.000 2.802 47 I HA 0.365 4.550 4.170 0.026 0.000 0.298 47 I C -1.219 174.917 176.117 0.032 0.000 1.176 47 I CA -0.864 60.370 61.300 -0.111 0.000 1.025 47 I CB 2.595 40.409 38.000 -0.310 0.000 1.243 47 I HN -0.324 nan 8.210 nan 0.000 0.424 48 S N 3.803 119.563 115.700 0.101 0.000 2.519 48 S HA 0.408 4.894 4.470 0.026 0.000 0.309 48 S C -0.706 173.946 174.600 0.088 0.000 1.100 48 S CA -0.953 57.315 58.200 0.113 0.000 1.059 48 S CB 1.608 64.834 63.200 0.044 0.000 1.008 48 S HN 0.718 nan 8.310 nan 0.000 0.478 49 K N 2.980 123.367 120.400 -0.022 0.000 2.448 49 K HA 0.337 4.672 4.320 0.026 0.000 0.278 49 K C -0.041 176.422 176.600 -0.229 0.000 1.009 49 K CA -0.066 55.978 56.287 -0.405 0.000 0.995 49 K CB -0.099 32.088 32.500 -0.522 0.000 0.917 49 K HN 0.656 nan 8.250 nan 0.000 0.481 50 I N -1.758 118.662 120.570 -0.250 0.000 2.846 50 I HA 0.514 4.700 4.170 0.026 0.000 0.307 50 I C 0.313 176.337 176.117 -0.155 0.000 1.053 50 I CA -1.380 59.824 61.300 -0.160 0.000 1.050 50 I CB 1.844 39.771 38.000 -0.122 0.000 1.239 50 I HN 0.705 nan 8.210 nan 0.000 0.439 51 G N 2.545 111.277 108.800 -0.114 0.000 2.750 51 G HA2 0.260 4.235 3.960 0.026 0.000 0.250 51 G HA3 0.260 4.235 3.960 0.026 0.000 0.250 51 G C -1.470 173.366 174.900 -0.107 0.000 1.230 51 G CA -0.733 44.305 45.100 -0.103 0.000 0.883 51 G HN 0.715 nan 8.290 nan 0.000 0.573 52 P HA 0.033 nan 4.420 nan 0.000 0.245 52 P C 0.993 178.236 177.300 -0.095 0.000 1.206 52 P CA 0.475 63.518 63.100 -0.095 0.000 0.781 52 P CB 0.394 32.045 31.700 -0.083 0.000 0.994 53 E N 0.289 120.435 120.200 -0.089 0.000 2.455 53 E HA -0.113 4.252 4.350 0.026 0.000 0.202 53 E C 0.557 177.085 176.600 -0.119 0.000 1.045 53 E CA 0.070 56.416 56.400 -0.091 0.000 0.872 53 E CB -0.170 29.485 29.700 -0.074 0.000 0.792 53 E HN 0.096 nan 8.360 nan 0.000 0.542 54 N N 0.911 119.538 118.700 -0.123 0.000 2.408 54 N HA 0.036 4.791 4.740 0.026 0.000 0.257 54 N C -1.695 173.683 175.510 -0.221 0.000 1.064 54 N CA -1.467 51.493 53.050 -0.150 0.000 0.952 54 N CB 1.461 39.902 38.487 -0.078 0.000 1.093 54 N HN 0.007 nan 8.380 nan 0.000 0.490 55 P HA 0.006 nan 4.420 nan 0.000 0.231 55 P C -0.458 176.602 177.300 -0.399 0.000 1.168 55 P CA 0.593 63.420 63.100 -0.455 0.000 0.779 55 P CB 0.193 31.546 31.700 -0.579 0.000 0.844 56 Y N 0.917 121.215 120.300 -0.002 0.000 2.320 56 Y HA 0.517 5.083 4.550 0.026 0.000 0.324 56 Y C 0.856 176.774 175.900 0.029 0.000 1.190 56 Y CA -0.757 57.362 58.100 0.032 0.000 1.215 56 Y CB 0.349 38.846 38.460 0.061 0.000 1.221 56 Y HN -0.115 nan 8.280 nan 0.000 0.486 57 N N -0.617 118.210 118.700 0.213 0.000 2.405 57 N HA 0.544 5.300 4.740 0.026 0.000 0.274 57 N C -1.949 173.632 175.510 0.120 0.000 1.170 57 N CA -0.509 52.624 53.050 0.139 0.000 0.848 57 N CB 1.724 40.254 38.487 0.072 0.000 1.629 57 N HN 0.584 nan 8.380 nan 0.000 0.481 58 T N 2.926 117.539 114.554 0.099 0.000 2.841 58 T HA 0.491 4.856 4.350 0.026 0.000 0.285 58 T C -2.838 171.788 174.700 -0.123 0.000 0.991 58 T CA -1.002 61.085 62.100 -0.022 0.000 0.966 58 T CB 1.903 70.720 68.868 -0.084 0.000 0.962 58 T HN 0.385 nan 8.240 nan 0.000 0.438 59 P HA 0.189 nan 4.420 nan 0.000 0.267 59 P C -0.471 176.451 177.300 -0.630 0.000 1.205 59 P CA -0.229 62.620 63.100 -0.418 0.000 0.765 59 P CB 1.010 32.413 31.700 -0.496 0.000 0.828 60 V N 5.181 124.730 119.914 -0.609 0.000 2.630 60 V HA 0.639 4.774 4.120 0.026 0.000 0.305 60 V C -1.077 174.597 176.094 -0.701 0.000 1.046 60 V CA -0.573 61.392 62.300 -0.559 0.000 0.934 60 V CB 0.859 32.479 31.823 -0.338 0.000 1.003 60 V HN 0.296 nan 8.190 nan 0.000 0.451 61 F N 3.291 123.178 119.950 -0.105 0.000 2.603 61 F HA 0.845 5.388 4.527 0.026 0.000 0.317 61 F C 0.262 175.993 175.800 -0.114 0.000 1.066 61 F CA -0.522 57.441 58.000 -0.061 0.000 0.941 61 F CB 2.172 41.161 39.000 -0.017 0.000 1.291 61 F HN 0.645 nan 8.300 nan 0.000 0.472 62 A N 3.092 125.959 122.820 0.079 0.000 2.311 62 A HA 0.824 5.160 4.320 0.026 0.000 0.306 62 A C -0.958 176.587 177.584 -0.065 0.000 1.189 62 A CA -0.530 51.387 52.037 -0.201 0.000 0.791 62 A CB 0.282 18.927 19.000 -0.593 0.000 1.172 62 A HN 0.722 nan 8.150 nan 0.000 0.481 63 I N -0.290 120.355 120.570 0.124 0.000 2.545 63 I HA 0.547 4.732 4.170 0.026 0.000 0.292 63 I C -0.232 176.215 176.117 0.550 0.000 1.040 63 I CA -0.966 60.550 61.300 0.359 0.000 1.068 63 I CB 2.083 40.197 38.000 0.190 0.000 1.251 63 I HN 0.362 nan 8.210 nan 0.000 0.424 64 K N 6.908 127.646 120.400 0.564 0.000 2.127 64 K HA 0.116 4.451 4.320 0.026 0.000 0.261 64 K C 0.227 176.898 176.600 0.118 0.000 1.129 64 K CA -0.277 56.143 56.287 0.222 0.000 0.993 64 K CB 0.310 32.666 32.500 -0.242 0.000 1.410 64 K HN 0.766 nan 8.250 nan 0.000 0.380 71 W N 0.750 122.059 121.300 0.016 0.000 3.419 71 W HA 0.591 5.266 4.660 0.025 0.000 0.298 71 W C -1.524 175.005 176.519 0.017 0.000 1.260 71 W CA -0.734 56.622 57.345 0.018 0.000 1.199 71 W CB 2.617 32.087 29.460 0.018 0.000 1.349 71 W HN 0.204 nan 8.180 nan 0.000 0.557 72 R N 2.820 123.545 120.500 0.375 0.000 2.604 72 R HA 0.295 4.650 4.340 0.026 0.000 0.270 72 R C -1.082 175.234 176.300 0.027 0.000 1.052 72 R CA -0.877 55.311 56.100 0.147 0.000 0.902 72 R CB 1.926 32.317 30.300 0.151 0.000 1.233 72 R HN 0.215 nan 8.270 nan 0.000 0.455 73 K N 3.720 124.105 120.400 -0.025 0.000 2.130 73 K HA 0.499 4.835 4.320 0.026 0.000 0.268 73 K C -1.366 175.218 176.600 -0.027 0.000 0.983 73 K CA -0.530 55.714 56.287 -0.073 0.000 0.893 73 K CB 1.192 33.616 32.500 -0.126 0.000 1.066 73 K HN 0.512 nan 8.250 nan 0.000 0.450 74 L N 4.109 125.317 121.223 -0.025 0.000 2.436 74 L HA 0.392 4.747 4.340 0.026 0.000 0.268 74 L C -1.589 175.230 176.870 -0.085 0.000 0.974 74 L CA -0.643 54.199 54.840 0.003 0.000 0.826 74 L CB 2.102 44.211 42.059 0.083 0.000 1.291 74 L HN 0.334 nan 8.230 nan 0.000 0.406 75 V N 3.021 122.838 119.914 -0.162 0.000 2.483 75 V HA 0.382 4.517 4.120 0.026 0.000 0.295 75 V C -0.669 175.202 176.094 -0.371 0.000 1.035 75 V CA -0.567 61.488 62.300 -0.408 0.000 0.896 75 V CB 1.639 33.061 31.823 -0.668 0.000 0.986 75 V HN 0.737 nan 8.190 nan 0.000 0.447 76 D N 2.985 123.157 120.400 -0.381 0.000 2.494 76 D HA 0.285 4.940 4.640 0.026 0.000 0.217 76 D C 0.401 176.564 176.300 -0.228 0.000 1.153 76 D CA -0.173 53.711 54.000 -0.194 0.000 0.954 76 D CB 0.088 40.849 40.800 -0.066 0.000 1.034 76 D HN 0.434 nan 8.370 nan 0.000 0.518 77 F N 1.593 121.561 119.950 0.031 0.000 2.804 77 F HA 0.143 4.685 4.527 0.026 0.000 0.303 77 F C 2.202 178.047 175.800 0.075 0.000 1.154 77 F CA -0.284 57.759 58.000 0.072 0.000 1.401 77 F CB 0.163 39.244 39.000 0.134 0.000 1.106 77 F HN 0.200 nan 8.300 nan 0.000 0.568 78 R N 0.417 121.018 120.500 0.168 0.000 2.159 78 R HA -0.231 4.124 4.340 0.026 0.000 0.252 78 R C 1.977 178.350 176.300 0.122 0.000 1.144 78 R CA 1.792 57.959 56.100 0.113 0.000 0.961 78 R CB -0.384 29.943 30.300 0.046 0.000 0.877 78 R HN 0.293 nan 8.270 nan 0.000 0.444 79 E N 0.633 120.905 120.200 0.119 0.000 2.015 79 E HA -0.160 4.206 4.350 0.026 0.000 0.191 79 E C 2.026 178.722 176.600 0.160 0.000 0.991 79 E CA 0.756 57.224 56.400 0.115 0.000 0.802 79 E CB -0.480 29.276 29.700 0.093 0.000 0.759 79 E HN 0.118 nan 8.360 nan 0.000 0.447 80 L N 2.256 123.624 121.223 0.242 0.000 2.013 80 L HA -0.235 4.121 4.340 0.026 0.000 0.212 80 L C 1.622 178.671 176.870 0.297 0.000 1.073 80 L CA 1.803 56.808 54.840 0.276 0.000 0.753 80 L CB -0.892 41.412 42.059 0.408 0.000 0.890 80 L HN 0.027 nan 8.230 nan 0.000 0.432 81 N N 0.838 119.719 118.700 0.302 0.000 2.007 81 N HA -0.256 4.499 4.740 0.026 0.000 0.197 81 N C 1.670 177.249 175.510 0.115 0.000 1.050 81 N CA 2.180 55.345 53.050 0.191 0.000 0.856 81 N CB -0.602 37.959 38.487 0.124 0.000 1.050 81 N HN 0.604 nan 8.380 nan 0.000 0.423 82 K N 1.083 121.537 120.400 0.091 0.000 2.286 82 K HA -0.147 4.188 4.320 0.026 0.000 0.203 82 K C 1.103 177.735 176.600 0.053 0.000 1.045 82 K CA 1.344 57.665 56.287 0.056 0.000 0.935 82 K CB -0.230 32.298 32.500 0.047 0.000 0.737 82 K HN 0.358 nan 8.250 nan 0.000 0.460 83 R N 0.500 121.045 120.500 0.076 0.000 2.468 83 R HA 0.213 4.568 4.340 0.026 0.000 0.280 83 R C -0.451 175.889 176.300 0.067 0.000 0.963 83 R CA -0.368 55.762 56.100 0.051 0.000 1.083 83 R CB 0.347 30.664 30.300 0.030 0.000 1.200 83 R HN -0.126 nan 8.270 nan 0.000 0.541 84 T N 1.975 116.605 114.554 0.127 0.000 2.928 84 T HA 0.102 4.468 4.350 0.026 0.000 0.284 84 T C -0.063 174.653 174.700 0.025 0.000 1.008 84 T CA -0.729 61.484 62.100 0.189 0.000 1.057 84 T CB 1.595 70.686 68.868 0.372 0.000 1.018 84 T HN 0.352 nan 8.240 nan 0.000 0.493 85 Q N 1.387 121.143 119.800 -0.073 0.000 2.614 85 Q HA 0.130 4.486 4.340 0.026 0.000 0.244 85 Q C -1.036 174.726 176.000 -0.397 0.000 1.097 85 Q CA -0.055 55.596 55.803 -0.254 0.000 0.986 85 Q CB 0.166 28.676 28.738 -0.380 0.000 1.308 85 Q HN 0.494 nan 8.270 nan 0.000 0.546 86 D N -0.125 120.041 120.400 -0.390 0.000 2.277 86 D HA 0.471 5.126 4.640 0.026 0.000 0.250 86 D C -1.116 174.861 176.300 -0.538 0.000 1.032 86 D CA -0.222 53.603 54.000 -0.291 0.000 0.947 86 D CB 0.688 41.422 40.800 -0.111 0.000 1.159 86 D HN 0.345 nan 8.370 nan 0.000 0.460 87 F N -0.262 119.657 119.950 -0.053 0.000 2.618 87 F HA 0.330 4.872 4.527 0.025 0.000 0.332 87 F C -0.227 175.628 175.800 0.093 0.000 1.061 87 F CA -1.141 56.859 58.000 -0.001 0.000 0.974 87 F CB 0.954 39.907 39.000 -0.078 0.000 1.310 87 F HN 0.323 nan 8.300 nan 0.000 0.491 88 W N 3.415 124.792 121.300 0.128 0.000 2.110 88 W HA 0.158 4.833 4.660 0.026 0.000 0.450 88 W C -0.473 176.077 176.519 0.051 0.000 0.893 88 W CA -0.107 57.270 57.345 0.054 0.000 1.688 88 W CB 0.224 29.703 29.460 0.032 0.000 1.779 88 W HN 0.536 nan 8.180 nan 0.000 0.300 89 E N 3.843 123.845 120.200 -0.330 0.000 2.341 89 E HA -0.030 4.336 4.350 0.026 0.000 0.279 89 E C 0.801 177.088 176.600 -0.521 0.000 1.395 89 E CA -0.117 56.083 56.400 -0.334 0.000 1.648 89 E CB 1.101 30.698 29.700 -0.171 0.000 1.524 89 E HN 0.243 nan 8.360 nan 0.000 0.462 90 V N 2.173 121.572 119.914 -0.859 0.000 3.577 90 V HA -0.092 4.043 4.120 0.026 0.000 0.294 90 V C 1.837 177.734 176.094 -0.327 0.000 1.317 90 V CA 0.564 62.453 62.300 -0.685 0.000 1.169 90 V CB -0.219 31.055 31.823 -0.914 0.000 1.011 90 V HN 0.396 nan 8.190 nan 0.000 0.426 91 Q N -0.764 118.890 119.800 -0.244 0.000 2.515 91 Q HA -0.020 4.336 4.340 0.026 0.000 0.214 91 Q C 0.791 176.734 176.000 -0.095 0.000 0.971 91 Q CA 0.303 56.036 55.803 -0.116 0.000 0.952 91 Q CB -0.128 28.577 28.738 -0.055 0.000 0.999 91 Q HN 0.439 nan 8.270 nan 0.000 0.524 92 L N 2.067 123.214 121.223 -0.127 0.000 2.821 92 L HA 0.300 4.655 4.340 0.026 0.000 0.239 92 L C 0.212 177.030 176.870 -0.088 0.000 1.391 92 L CA 0.342 55.123 54.840 -0.098 0.000 1.231 92 L CB -0.260 41.735 42.059 -0.106 0.000 1.598 92 L HN 0.208 nan 8.230 nan 0.000 0.428 93 G N 1.104 109.855 108.800 -0.081 0.000 3.749 93 G HA2 0.409 4.384 3.960 0.026 0.000 0.339 93 G HA3 0.409 4.384 3.960 0.026 0.000 0.339 93 G C -0.014 174.847 174.900 -0.066 0.000 1.513 93 G CA -0.355 44.703 45.100 -0.069 0.000 1.035 93 G HN 0.227 nan 8.290 nan 0.000 0.480 94 I N 2.513 123.041 120.570 -0.069 0.000 2.517 94 I HA 0.125 4.310 4.170 0.026 0.000 0.285 94 I C -1.557 174.569 176.117 0.015 0.000 1.106 94 I CA -1.321 59.942 61.300 -0.062 0.000 1.402 94 I CB 0.708 38.635 38.000 -0.123 0.000 1.399 94 I HN 0.208 nan 8.210 nan 0.000 0.535 95 P HA 0.077 nan 4.420 nan 0.000 0.271 95 P C -0.947 176.447 177.300 0.156 0.000 1.233 95 P CA -0.018 63.115 63.100 0.055 0.000 0.789 95 P CB 0.388 32.060 31.700 -0.048 0.000 0.951 96 H N 0.719 119.709 119.070 -0.133 0.000 2.495 96 H HA 0.307 4.879 4.556 0.026 0.000 0.348 96 H C -1.892 173.209 175.328 -0.379 0.000 1.113 96 H CA -2.076 53.834 56.048 -0.230 0.000 1.195 96 H CB 1.363 30.947 29.762 -0.297 0.000 1.521 96 H HN 0.202 nan 8.280 nan 0.000 0.509 97 P HA -0.246 nan 4.420 nan 0.000 0.216 97 P C 0.932 177.853 177.300 -0.632 0.000 1.154 97 P CA 2.436 64.900 63.100 -1.060 0.000 0.865 97 P CB 0.026 30.522 31.700 -2.006 0.000 0.789 98 A N -0.763 121.714 122.820 -0.571 0.000 2.186 98 A HA -0.067 4.268 4.320 0.026 0.000 0.219 98 A C 2.268 180.036 177.584 0.307 0.000 1.159 98 A CA 1.858 54.020 52.037 0.209 0.000 0.680 98 A CB -1.563 17.811 19.000 0.622 0.000 0.787 98 A HN 0.341 nan 8.150 nan 0.000 0.467 99 G N -1.018 107.758 108.800 -0.039 0.000 2.744 99 G HA2 0.320 4.295 3.960 0.026 0.000 0.211 99 G HA3 0.320 4.295 3.960 0.026 0.000 0.211 99 G C 0.561 175.509 174.900 0.080 0.000 1.146 99 G CA -0.297 44.726 45.100 -0.129 0.000 0.787 99 G HN 0.401 nan 8.290 nan 0.000 0.534 100 L N 0.958 122.212 121.223 0.053 0.000 2.426 100 L HA 0.286 4.641 4.340 0.026 0.000 0.271 100 L C 0.096 177.059 176.870 0.154 0.000 1.169 100 L CA -0.262 54.590 54.840 0.021 0.000 0.836 100 L CB 0.905 42.896 42.059 -0.113 0.000 1.112 100 L HN -0.005 nan 8.230 nan 0.000 0.465 101 K N 2.252 122.696 120.400 0.073 0.000 2.098 101 K HA 0.285 4.620 4.320 0.026 0.000 0.261 101 K C -0.326 176.237 176.600 -0.063 0.000 0.987 101 K CA -0.769 55.563 56.287 0.074 0.000 0.916 101 K CB 1.043 33.564 32.500 0.036 0.000 1.039 101 K HN 0.317 nan 8.250 nan 0.000 0.455 102 K N 1.732 122.116 120.400 -0.026 0.000 2.414 102 K HA 0.013 4.348 4.320 0.026 0.000 0.272 102 K C -0.638 175.899 176.600 -0.105 0.000 0.993 102 K CA 0.256 56.481 56.287 -0.104 0.000 0.964 102 K CB 0.473 32.997 32.500 0.041 0.000 0.925 102 K HN 0.228 nan 8.250 nan 0.000 0.487 103 K N 3.629 123.947 120.400 -0.136 0.000 2.471 103 K HA 0.138 4.473 4.320 0.026 0.000 0.252 103 K C 0.255 176.817 176.600 -0.063 0.000 0.938 103 K CA -0.717 55.519 56.287 -0.084 0.000 0.796 103 K CB 1.752 34.199 32.500 -0.089 0.000 1.161 103 K HN 0.492 nan 8.250 nan 0.000 0.425 104 K N 0.941 121.312 120.400 -0.049 0.000 2.059 104 K HA -0.096 4.239 4.320 0.026 0.000 0.212 104 K C 0.219 176.764 176.600 -0.090 0.000 1.050 104 K CA 1.436 57.693 56.287 -0.049 0.000 0.927 104 K CB 0.161 32.639 32.500 -0.036 0.000 0.714 104 K HN 0.815 nan 8.250 nan 0.000 0.447 105 S N -1.558 114.039 115.700 -0.171 0.000 2.537 105 S HA 0.505 4.990 4.470 0.026 0.000 0.271 105 S C -0.906 173.513 174.600 -0.302 0.000 1.148 105 S CA -1.133 56.910 58.200 -0.261 0.000 0.868 105 S CB 2.548 65.509 63.200 -0.399 0.000 1.115 105 S HN -0.149 nan 8.310 nan 0.000 0.461 106 V N 1.614 121.475 119.914 -0.087 0.000 2.638 106 V HA 0.703 4.839 4.120 0.026 0.000 0.306 106 V C -0.520 175.737 176.094 0.271 0.000 1.052 106 V CA -0.319 62.051 62.300 0.117 0.000 0.885 106 V CB 2.153 34.115 31.823 0.233 0.000 0.999 106 V HN 1.074 nan 8.190 nan 0.000 0.424 107 T N 3.650 118.397 114.554 0.322 0.000 2.856 107 T HA 0.584 4.949 4.350 0.026 0.000 0.283 107 T C -0.846 173.922 174.700 0.113 0.000 1.008 107 T CA -0.425 61.842 62.100 0.279 0.000 0.997 107 T CB 1.954 70.999 68.868 0.294 0.000 0.992 107 T HN 0.525 nan 8.240 nan 0.000 0.454 108 V N 5.104 125.045 119.914 0.045 0.000 2.409 108 V HA 0.571 4.707 4.120 0.026 0.000 0.291 108 V C -1.181 174.821 176.094 -0.153 0.000 1.020 108 V CA -0.861 61.311 62.300 -0.213 0.000 0.848 108 V CB 0.951 32.544 31.823 -0.384 0.000 0.990 108 V HN 0.637 nan 8.190 nan 0.000 0.430 109 L N 5.004 126.103 121.223 -0.208 0.000 2.322 109 L HA 0.576 4.931 4.340 0.026 0.000 0.279 109 L C -0.275 176.507 176.870 -0.147 0.000 1.036 109 L CA -0.041 54.718 54.840 -0.134 0.000 0.807 109 L CB 1.590 43.576 42.059 -0.122 0.000 1.226 109 L HN 0.798 nan 8.230 nan 0.000 0.433 110 D N 1.468 121.822 120.400 -0.078 0.000 2.232 110 D HA 0.366 5.021 4.640 0.026 0.000 0.242 110 D C 0.204 176.488 176.300 -0.027 0.000 1.093 110 D CA -0.290 53.675 54.000 -0.057 0.000 0.845 110 D CB 1.252 42.041 40.800 -0.018 0.000 1.124 110 D HN 0.249 nan 8.370 nan 0.000 0.467 111 V N 2.327 122.236 119.914 -0.008 0.000 2.778 111 V HA 0.545 4.680 4.120 0.026 0.000 0.356 111 V C 1.200 177.310 176.094 0.028 0.000 1.283 111 V CA 0.045 62.380 62.300 0.058 0.000 1.247 111 V CB 0.394 32.323 31.823 0.177 0.000 1.408 111 V HN 0.520 nan 8.190 nan 0.000 0.620 112 G N 2.277 111.075 108.800 -0.003 0.000 2.616 112 G HA2 -0.192 3.784 3.960 0.026 0.000 0.215 112 G HA3 -0.192 3.784 3.960 0.026 0.000 0.215 112 G C 1.096 176.019 174.900 0.039 0.000 1.284 112 G CA 1.178 46.266 45.100 -0.021 0.000 0.823 112 G HN 0.695 nan 8.290 nan 0.000 0.569 113 D N 1.563 122.011 120.400 0.079 0.000 2.354 113 D HA 0.023 4.678 4.640 0.026 0.000 0.216 113 D C 2.037 178.473 176.300 0.227 0.000 0.970 113 D CA 1.008 55.121 54.000 0.188 0.000 0.905 113 D CB -0.534 40.357 40.800 0.152 0.000 0.903 113 D HN 0.289 nan 8.370 nan 0.000 0.508 114 A N -1.066 121.848 122.820 0.156 0.000 2.258 114 A HA -0.020 4.315 4.320 0.026 0.000 0.206 114 A C 1.342 179.048 177.584 0.203 0.000 1.222 114 A CA 0.095 52.244 52.037 0.187 0.000 0.822 114 A CB -1.009 18.105 19.000 0.190 0.000 0.804 114 A HN 0.290 nan 8.150 nan 0.000 0.483 115 Y N -1.961 118.312 120.300 -0.044 0.000 2.365 115 Y HA 0.066 4.631 4.550 0.025 0.000 0.293 115 Y C 1.125 176.969 175.900 -0.093 0.000 1.119 115 Y CA 1.152 59.148 58.100 -0.173 0.000 1.203 115 Y CB 0.042 38.201 38.460 -0.502 0.000 1.026 115 Y HN 0.405 nan 8.280 nan 0.000 0.549 116 F N -1.192 118.896 119.950 0.230 0.000 2.769 116 F HA 0.007 4.549 4.527 0.026 0.000 0.304 116 F C 1.916 177.808 175.800 0.153 0.000 1.158 116 F CA 0.421 58.538 58.000 0.195 0.000 1.398 116 F CB -0.205 38.895 39.000 0.168 0.000 1.094 116 F HN -0.123 nan 8.300 nan 0.000 0.553 117 S N -1.117 114.745 115.700 0.269 0.000 2.503 117 S HA 0.123 4.609 4.470 0.026 0.000 0.217 117 S C 0.681 175.373 174.600 0.152 0.000 0.999 117 S CA 0.047 58.364 58.200 0.194 0.000 0.914 117 S CB 0.254 63.555 63.200 0.168 0.000 0.782 117 S HN -0.078 nan 8.310 nan 0.000 0.520 118 V N 5.109 125.107 119.914 0.140 0.000 2.394 118 V HA 0.332 4.467 4.120 0.026 0.000 0.282 118 V C -2.324 173.842 176.094 0.120 0.000 1.031 118 V CA -2.296 60.061 62.300 0.095 0.000 0.881 118 V CB 1.229 33.076 31.823 0.041 0.000 0.982 118 V HN 0.124 nan 8.190 nan 0.000 0.451 119 P HA 0.163 nan 4.420 nan 0.000 0.275 119 P C -0.721 176.642 177.300 0.105 0.000 1.227 119 P CA -0.380 62.790 63.100 0.116 0.000 0.781 119 P CB 1.448 33.209 31.700 0.101 0.000 0.906 120 L N 2.988 124.279 121.223 0.113 0.000 2.326 120 L HA 0.287 4.643 4.340 0.026 0.000 0.278 120 L C 0.229 177.161 176.870 0.103 0.000 1.092 120 L CA -0.323 54.570 54.840 0.087 0.000 0.810 120 L CB 0.014 42.110 42.059 0.061 0.000 1.153 120 L HN 0.299 nan 8.230 nan 0.000 0.439 121 D N 3.177 123.639 120.400 0.103 0.000 2.518 121 D HA -0.115 4.540 4.640 0.026 0.000 0.270 121 D C 1.200 177.593 176.300 0.155 0.000 1.338 121 D CA 0.597 54.671 54.000 0.123 0.000 0.983 121 D CB 0.717 41.593 40.800 0.127 0.000 1.126 121 D HN 0.640 nan 8.370 nan 0.000 0.543 122 E N 2.955 123.225 120.200 0.117 0.000 2.339 122 E HA -0.287 4.079 4.350 0.026 0.000 0.201 122 E C 0.317 176.975 176.600 0.098 0.000 1.015 122 E CA 1.193 57.652 56.400 0.099 0.000 0.841 122 E CB -0.091 29.653 29.700 0.073 0.000 0.754 122 E HN 0.663 nan 8.360 nan 0.000 0.508 123 D N -0.771 119.711 120.400 0.136 0.000 2.348 123 D HA 0.008 4.663 4.640 0.026 0.000 0.211 123 D C 1.012 177.438 176.300 0.209 0.000 0.998 123 D CA 0.287 54.370 54.000 0.138 0.000 0.873 123 D CB -0.088 40.803 40.800 0.152 0.000 0.925 123 D HN 0.214 nan 8.370 nan 0.000 0.524 124 F N 1.483 121.481 119.950 0.080 0.000 2.694 124 F HA 0.165 4.707 4.527 0.026 0.000 0.292 124 F C 2.074 177.899 175.800 0.042 0.000 1.121 124 F CA -0.023 58.073 58.000 0.159 0.000 1.352 124 F CB 0.259 39.328 39.000 0.116 0.000 1.107 124 F HN -0.312 nan 8.300 nan 0.000 0.597 125 R N 1.339 121.892 120.500 0.087 0.000 2.153 125 R HA -0.241 4.114 4.340 0.026 0.000 0.252 125 R C 2.130 178.363 176.300 -0.112 0.000 1.158 125 R CA 2.067 58.174 56.100 0.012 0.000 0.975 125 R CB -0.761 29.577 30.300 0.063 0.000 0.871 125 R HN 0.412 nan 8.270 nan 0.000 0.450 126 K N -0.053 120.202 120.400 -0.241 0.000 2.211 126 K HA -0.193 4.143 4.320 0.026 0.000 0.204 126 K C 1.323 177.689 176.600 -0.390 0.000 1.047 126 K CA 1.699 57.796 56.287 -0.317 0.000 0.935 126 K CB -0.366 31.894 32.500 -0.400 0.000 0.728 126 K HN 0.280 nan 8.250 nan 0.000 0.452 127 Y N 2.511 122.574 120.300 -0.394 0.000 2.516 127 Y HA -0.046 4.520 4.550 0.026 0.000 0.291 127 Y C 2.429 178.200 175.900 -0.216 0.000 1.131 127 Y CA 1.205 58.993 58.100 -0.519 0.000 1.281 127 Y CB -0.389 37.521 38.460 -0.916 0.000 1.013 127 Y HN 0.274 nan 8.280 nan 0.000 0.554 128 T N -1.915 112.625 114.554 -0.023 0.000 3.194 128 T HA 0.353 4.719 4.350 0.026 0.000 0.251 128 T C 0.879 175.834 174.700 0.425 0.000 1.132 128 T CA 0.064 62.312 62.100 0.248 0.000 1.028 128 T CB -0.715 68.282 68.868 0.215 0.000 0.976 128 T HN 0.214 nan 8.240 nan 0.000 0.535 129 A N 1.804 124.775 122.820 0.252 0.000 2.520 129 A HA 0.529 4.865 4.320 0.026 0.000 0.245 129 A C -0.018 177.725 177.584 0.265 0.000 1.072 129 A CA -0.529 51.622 52.037 0.191 0.000 0.761 129 A CB -0.557 18.500 19.000 0.095 0.000 1.004 129 A HN 0.750 nan 8.150 nan 0.000 0.499 130 F N -0.228 119.779 119.950 0.095 0.000 2.629 130 F HA 0.853 5.396 4.527 0.026 0.000 0.316 130 F C -0.272 175.543 175.800 0.025 0.000 1.081 130 F CA -0.829 57.190 58.000 0.031 0.000 0.954 130 F CB 1.513 40.513 39.000 -0.001 0.000 1.337 130 F HN 0.323 nan 8.300 nan 0.000 0.474 131 T N 2.564 117.203 114.554 0.142 0.000 2.861 131 T HA 0.533 4.899 4.350 0.026 0.000 0.287 131 T C -0.588 174.172 174.700 0.099 0.000 1.003 131 T CA -0.445 61.671 62.100 0.027 0.000 0.977 131 T CB 1.537 70.401 68.868 -0.005 0.000 0.996 131 T HN 0.559 nan 8.240 nan 0.000 0.448 132 I N 5.804 126.414 120.570 0.067 0.000 2.297 132 I HA 0.262 4.447 4.170 0.026 0.000 0.291 132 I C -1.739 174.394 176.117 0.026 0.000 1.033 132 I CA -2.333 59.014 61.300 0.078 0.000 1.253 132 I CB 1.376 39.443 38.000 0.112 0.000 1.396 132 I HN 0.331 nan 8.210 nan 0.000 0.476 133 P HA 0.035 nan 4.420 nan 0.000 0.272 133 P C -0.432 176.874 177.300 0.009 0.000 1.254 133 P CA -0.189 62.920 63.100 0.015 0.000 0.795 133 P CB 1.135 32.851 31.700 0.026 0.000 1.022 134 S N -0.539 115.165 115.700 0.006 0.000 2.634 134 S HA 0.515 5.001 4.470 0.026 0.000 0.296 134 S C 0.265 174.869 174.600 0.007 0.000 1.104 134 S CA -0.910 57.292 58.200 0.004 0.000 0.920 134 S CB 0.325 63.522 63.200 -0.005 0.000 1.111 134 S HN 0.178 nan 8.310 nan 0.000 0.493 139 T N -0.781 113.768 114.554 -0.007 0.000 2.724 139 T HA 0.512 4.877 4.350 0.026 0.000 0.274 139 T C -1.719 172.970 174.700 -0.019 0.000 0.984 139 T CA -1.339 60.754 62.100 -0.013 0.000 1.024 139 T CB 0.484 69.345 68.868 -0.011 0.000 1.320 139 T HN 0.098 nan 8.240 nan 0.000 0.555 140 P HA 0.090 nan 4.420 nan 0.000 0.216 140 P C 0.604 177.879 177.300 -0.041 0.000 0.860 140 P CA 2.315 65.393 63.100 -0.037 0.000 1.042 140 P CB -0.888 30.786 31.700 -0.043 0.000 0.716 141 G N -1.969 106.804 108.800 -0.045 0.000 3.069 141 G HA2 0.027 4.003 3.960 0.026 0.000 0.686 141 G HA3 0.027 4.003 3.960 0.026 0.000 0.686 141 G C -0.842 174.008 174.900 -0.085 0.000 1.161 141 G CA -0.887 44.184 45.100 -0.047 0.000 0.804 141 G HN 0.243 nan 8.290 nan 0.000 0.608 142 I N 2.689 123.205 120.570 -0.090 0.000 2.416 142 I HA 0.397 4.582 4.170 0.026 0.000 0.288 142 I C 0.794 176.755 176.117 -0.259 0.000 1.051 142 I CA -0.485 60.705 61.300 -0.183 0.000 1.375 142 I CB 1.073 38.991 38.000 -0.137 0.000 1.407 142 I HN 0.393 nan 8.210 nan 0.000 0.516 143 R N 6.631 126.896 120.500 -0.391 0.000 2.295 143 R HA 0.503 4.858 4.340 0.026 0.000 0.324 143 R C -1.116 174.809 176.300 -0.625 0.000 0.968 143 R CA -0.571 55.282 56.100 -0.411 0.000 0.837 143 R CB 1.421 31.558 30.300 -0.273 0.000 1.133 143 R HN 0.461 nan 8.270 nan 0.000 0.450 144 Y N 0.368 120.284 120.300 -0.641 0.000 2.630 144 Y HA 0.388 4.953 4.550 0.026 0.000 0.337 144 Y C 0.421 175.957 175.900 -0.607 0.000 1.051 144 Y CA -0.702 56.983 58.100 -0.692 0.000 1.121 144 Y CB 2.251 40.142 38.460 -0.949 0.000 1.299 144 Y HN 0.383 nan 8.280 nan 0.000 0.498 145 Q N 0.525 120.277 119.800 -0.079 0.000 2.418 145 Q HA 0.365 4.721 4.340 0.026 0.000 0.282 145 Q C -2.186 173.915 176.000 0.168 0.000 1.044 145 Q CA -0.798 55.060 55.803 0.092 0.000 0.813 145 Q CB 2.004 30.769 28.738 0.044 0.000 1.428 145 Q HN 0.765 nan 8.270 nan 0.000 0.402 146 Y N 1.780 122.213 120.300 0.220 0.000 2.301 146 Y HA 0.245 4.811 4.550 0.026 0.000 0.325 146 Y C 1.015 176.990 175.900 0.125 0.000 1.203 146 Y CA 0.248 58.470 58.100 0.203 0.000 1.255 146 Y CB 1.084 39.669 38.460 0.208 0.000 1.232 146 Y HN 0.670 nan 8.280 nan 0.000 0.501 147 N N 0.908 119.779 118.700 0.284 0.000 2.227 147 N HA 0.083 4.838 4.740 0.026 0.000 0.196 147 N C -0.519 175.122 175.510 0.218 0.000 1.142 147 N CA 0.435 53.601 53.050 0.194 0.000 0.887 147 N CB 0.997 39.565 38.487 0.135 0.000 1.022 147 N HN 0.379 nan 8.380 nan 0.000 0.500 148 V N -2.329 117.780 119.914 0.326 0.000 3.164 148 V HA 0.523 4.658 4.120 0.026 0.000 0.313 148 V C 0.050 176.286 176.094 0.237 0.000 1.188 148 V CA -1.139 61.336 62.300 0.291 0.000 1.058 148 V CB 1.551 33.593 31.823 0.365 0.000 1.110 148 V HN -0.159 nan 8.190 nan 0.000 0.453 149 L N 3.551 124.863 121.223 0.149 0.000 2.562 149 L HA 0.291 4.647 4.340 0.026 0.000 0.271 149 L C -2.034 174.771 176.870 -0.108 0.000 1.167 149 L CA -1.016 53.862 54.840 0.064 0.000 0.917 149 L CB 0.430 42.586 42.059 0.160 0.000 1.187 149 L HN 0.551 nan 8.230 nan 0.000 0.482 150 P HA 0.082 nan 4.420 nan 0.000 0.279 150 P C -0.908 176.189 177.300 -0.339 0.000 1.239 150 P CA -0.633 62.110 63.100 -0.595 0.000 0.789 150 P CB 0.934 31.941 31.700 -1.155 0.000 0.933 151 Q N 1.261 120.877 119.800 -0.306 0.000 2.337 151 Q HA 0.239 4.594 4.340 0.026 0.000 0.270 151 Q C 1.505 177.480 176.000 -0.041 0.000 1.002 151 Q CA 1.096 56.744 55.803 -0.259 0.000 0.888 151 Q CB 0.064 28.712 28.738 -0.152 0.000 1.222 151 Q HN 0.926 nan 8.270 nan 0.000 0.400 152 G N 1.869 110.613 108.800 -0.094 0.000 2.179 152 G HA2 -0.267 3.708 3.960 0.026 0.000 0.260 152 G HA3 -0.267 3.708 3.960 0.026 0.000 0.260 152 G C -0.399 174.548 174.900 0.078 0.000 0.977 152 G CA 0.274 45.390 45.100 0.027 0.000 0.641 152 G HN 0.626 nan 8.290 nan 0.000 0.533 153 W N 1.661 122.799 121.300 -0.269 0.000 2.316 153 W HA 0.626 5.302 4.660 0.026 0.000 0.321 153 W C 1.300 177.683 176.519 -0.227 0.000 1.203 153 W CA -0.652 56.465 57.345 -0.380 0.000 1.214 153 W CB 0.852 29.924 29.460 -0.647 0.000 1.169 153 W HN 0.067 nan 8.180 nan 0.000 0.561 154 K N 2.561 122.478 120.400 -0.805 0.000 2.107 154 K HA -0.201 4.135 4.320 0.026 0.000 0.211 154 K C 1.650 177.605 176.600 -1.075 0.000 1.049 154 K CA 2.170 58.001 56.287 -0.760 0.000 0.927 154 K CB -0.639 31.552 32.500 -0.514 0.000 0.714 154 K HN 0.760 nan 8.250 nan 0.000 0.452 155 G N -0.887 106.645 108.800 -2.114 0.000 3.042 155 G HA2 -0.031 3.944 3.960 0.026 0.000 0.212 155 G HA3 -0.031 3.944 3.960 0.026 0.000 0.212 155 G C 1.139 175.420 174.900 -1.031 0.000 1.166 155 G CA 0.149 44.021 45.100 -2.047 0.000 0.767 155 G HN 0.231 nan 8.290 nan 0.000 0.546 156 S N 1.922 117.330 115.700 -0.485 0.000 2.359 156 S HA -0.103 4.382 4.470 0.026 0.000 0.222 156 S C 0.098 174.802 174.600 0.173 0.000 1.038 156 S CA 1.587 59.825 58.200 0.063 0.000 1.051 156 S CB -0.813 62.457 63.200 0.117 0.000 0.944 156 S HN 0.282 nan 8.310 nan 0.000 0.433 157 P HA -0.109 nan 4.420 nan 0.000 0.214 157 P C 1.549 178.873 177.300 0.039 0.000 1.163 157 P CA 1.662 64.834 63.100 0.119 0.000 0.889 157 P CB -0.166 31.499 31.700 -0.059 0.000 0.790 158 A N -0.632 122.080 122.820 -0.181 0.000 1.851 158 A HA -0.216 4.119 4.320 0.026 0.000 0.216 158 A C 2.252 179.751 177.584 -0.140 0.000 1.195 158 A CA 1.903 53.824 52.037 -0.195 0.000 0.622 158 A CB -1.744 17.013 19.000 -0.404 0.000 0.831 158 A HN 0.097 nan 8.150 nan 0.000 0.444 159 I N -1.813 118.625 120.570 -0.221 0.000 2.208 159 I HA -0.248 3.937 4.170 0.026 0.000 0.245 159 I C 2.403 178.467 176.117 -0.088 0.000 1.097 159 I CA 1.831 63.060 61.300 -0.117 0.000 1.363 159 I CB -0.386 37.568 38.000 -0.078 0.000 1.051 159 I HN 0.483 nan 8.210 nan 0.000 0.413 160 F N 1.386 121.189 119.950 -0.244 0.000 2.134 160 F HA -0.254 4.289 4.527 0.025 0.000 0.299 160 F C 2.661 178.292 175.800 -0.282 0.000 1.097 160 F CA 1.711 59.470 58.000 -0.402 0.000 1.264 160 F CB -0.415 37.999 39.000 -0.976 0.000 1.001 160 F HN 0.020 nan 8.300 nan 0.000 0.479 161 Q N 0.018 119.815 119.800 -0.005 0.000 2.061 161 Q HA -0.231 4.124 4.340 0.026 0.000 0.204 161 Q C 2.514 178.401 176.000 -0.188 0.000 0.984 161 Q CA 2.029 57.798 55.803 -0.055 0.000 0.846 161 Q CB -0.608 28.179 28.738 0.082 0.000 0.902 161 Q HN 0.493 nan 8.270 nan 0.000 0.421 162 S N -0.306 115.314 115.700 -0.134 0.000 2.370 162 S HA -0.133 4.353 4.470 0.026 0.000 0.226 162 S C 2.069 176.546 174.600 -0.204 0.000 1.033 162 S CA 1.745 59.872 58.200 -0.121 0.000 1.011 162 S CB -0.113 63.050 63.200 -0.061 0.000 0.852 162 S HN 0.423 nan 8.310 nan 0.000 0.457 163 S N 1.095 116.620 115.700 -0.292 0.000 2.368 163 S HA -0.057 4.428 4.470 0.026 0.000 0.224 163 S C 1.810 176.126 174.600 -0.473 0.000 1.029 163 S CA 1.503 59.491 58.200 -0.353 0.000 0.988 163 S CB -0.455 62.518 63.200 -0.377 0.000 0.838 163 S HN 0.559 nan 8.310 nan 0.000 0.462 164 M N 2.232 121.452 119.600 -0.635 0.000 2.108 164 M HA -0.103 4.393 4.480 0.026 0.000 0.261 164 M C 1.925 177.987 176.300 -0.396 0.000 1.066 164 M CA 1.673 56.608 55.300 -0.608 0.000 1.107 164 M CB -1.459 30.739 32.600 -0.670 0.000 1.356 164 M HN 0.201 nan 8.290 nan 0.000 0.406 165 T N 0.281 114.658 114.554 -0.295 0.000 2.720 165 T HA -0.173 4.192 4.350 0.026 0.000 0.268 165 T C 1.870 176.449 174.700 -0.203 0.000 1.037 165 T CA 1.736 63.720 62.100 -0.194 0.000 1.144 165 T CB -0.205 68.587 68.868 -0.126 0.000 0.864 165 T HN 0.444 nan 8.240 nan 0.000 0.444 166 K N 0.431 120.684 120.400 -0.245 0.000 2.057 166 K HA 0.047 4.382 4.320 0.026 0.000 0.207 166 K C 2.222 178.611 176.600 -0.352 0.000 1.049 166 K CA 1.117 57.258 56.287 -0.244 0.000 0.931 166 K CB -0.278 32.078 32.500 -0.240 0.000 0.714 166 K HN 0.333 nan 8.250 nan 0.000 0.440 167 I N 1.044 121.289 120.570 -0.542 0.000 2.361 167 I HA -0.257 3.928 4.170 0.026 0.000 0.251 167 I C 1.792 177.634 176.117 -0.459 0.000 1.133 167 I CA 1.140 61.962 61.300 -0.798 0.000 1.413 167 I CB -0.140 37.269 38.000 -0.984 0.000 1.073 167 I HN 0.128 nan 8.210 nan 0.000 0.424 168 L N 0.226 121.271 121.223 -0.297 0.000 2.554 168 L HA -0.052 4.303 4.340 0.026 0.000 0.226 168 L C 2.296 179.180 176.870 0.024 0.000 1.137 168 L CA 0.169 54.941 54.840 -0.113 0.000 0.863 168 L CB -0.395 41.589 42.059 -0.125 0.000 0.985 168 L HN 0.192 nan 8.230 nan 0.000 0.451 169 E N 1.504 121.686 120.200 -0.030 0.000 2.049 169 E HA -0.205 4.160 4.350 0.026 0.000 0.198 169 E C -0.595 176.046 176.600 0.068 0.000 1.007 169 E CA 1.887 58.291 56.400 0.007 0.000 0.809 169 E CB -0.841 28.842 29.700 -0.028 0.000 0.749 169 E HN 0.247 nan 8.360 nan 0.000 0.450 170 P HA -0.103 nan 4.420 nan 0.000 0.213 170 P C 1.188 178.569 177.300 0.135 0.000 1.170 170 P CA 1.196 64.370 63.100 0.123 0.000 0.893 170 P CB -0.251 31.547 31.700 0.163 0.000 0.784 171 F N 0.638 120.638 119.950 0.084 0.000 2.095 171 F HA -0.204 4.339 4.527 0.025 0.000 0.298 171 F C 2.311 178.128 175.800 0.029 0.000 1.104 171 F CA 1.637 59.678 58.000 0.069 0.000 1.232 171 F CB -0.321 38.785 39.000 0.176 0.000 0.987 171 F HN -0.281 nan 8.300 nan 0.000 0.475 172 R N -0.212 120.429 120.500 0.235 0.000 2.096 172 R HA -0.185 4.171 4.340 0.026 0.000 0.235 172 R C 2.165 178.469 176.300 0.007 0.000 1.127 172 R CA 1.474 57.642 56.100 0.112 0.000 0.968 172 R CB -0.350 30.008 30.300 0.096 0.000 0.861 172 R HN 0.115 nan 8.270 nan 0.000 0.440 173 K N 1.114 121.517 120.400 0.005 0.000 2.002 173 K HA -0.155 4.180 4.320 0.026 0.000 0.209 173 K C 2.064 178.625 176.600 -0.064 0.000 1.048 173 K CA 1.655 57.930 56.287 -0.020 0.000 0.930 173 K CB -0.007 32.490 32.500 -0.005 0.000 0.714 173 K HN 0.195 nan 8.250 nan 0.000 0.438 174 Q N -0.049 119.684 119.800 -0.112 0.000 2.079 174 Q HA -0.018 4.337 4.340 0.026 0.000 0.200 174 Q C -0.011 175.867 176.000 -0.203 0.000 0.974 174 Q CA 1.006 56.713 55.803 -0.160 0.000 0.840 174 Q CB 0.013 28.623 28.738 -0.213 0.000 0.898 174 Q HN 0.257 nan 8.270 nan 0.000 0.430 175 N N 1.597 120.121 118.700 -0.292 0.000 3.114 175 N HA 0.124 4.880 4.740 0.026 0.000 0.289 175 N C -2.175 173.261 175.510 -0.124 0.000 1.519 175 N CA -0.875 52.017 53.050 -0.264 0.000 1.026 175 N CB 0.949 39.141 38.487 -0.493 0.000 1.306 175 N HN 0.194 nan 8.380 nan 0.000 0.495 176 P HA -0.097 nan 4.420 nan 0.000 0.228 176 P C 0.325 177.618 177.300 -0.012 0.000 1.151 176 P CA 0.990 64.072 63.100 -0.029 0.000 0.770 176 P CB 0.247 31.932 31.700 -0.026 0.000 0.786 177 D N -0.715 119.674 120.400 -0.019 0.000 2.336 177 D HA 0.038 4.693 4.640 0.026 0.000 0.228 177 D C 0.313 176.629 176.300 0.027 0.000 1.120 177 D CA -0.141 53.861 54.000 0.002 0.000 0.839 177 D CB -0.008 40.790 40.800 -0.004 0.000 0.932 177 D HN 0.143 nan 8.370 nan 0.000 0.509 178 I N 1.592 122.184 120.570 0.037 0.000 2.418 178 I HA 0.215 4.400 4.170 0.026 0.000 0.287 178 I C -0.279 175.891 176.117 0.088 0.000 1.008 178 I CA -0.985 60.366 61.300 0.086 0.000 1.104 178 I CB 2.017 40.096 38.000 0.133 0.000 1.264 178 I HN -0.256 nan 8.210 nan 0.000 0.438 179 V N 7.557 127.519 119.914 0.081 0.000 2.439 179 V HA 0.480 4.615 4.120 0.026 0.000 0.282 179 V C 0.206 176.338 176.094 0.063 0.000 1.039 179 V CA -0.409 61.925 62.300 0.056 0.000 0.913 179 V CB 1.916 33.756 31.823 0.029 0.000 0.983 179 V HN 0.432 nan 8.190 nan 0.000 0.460 180 I N 4.470 125.069 120.570 0.048 0.000 2.468 180 I HA 0.375 4.560 4.170 0.026 0.000 0.285 180 I C -0.487 175.645 176.117 0.026 0.000 1.039 180 I CA -0.198 61.125 61.300 0.038 0.000 1.074 180 I CB 1.785 39.802 38.000 0.029 0.000 1.228 180 I HN 0.659 nan 8.210 nan 0.000 0.436 181 C N 6.398 125.724 119.300 0.043 0.000 2.355 181 C HA 0.465 4.941 4.460 0.026 0.000 0.332 181 C C -0.288 174.770 174.990 0.113 0.000 1.255 181 C CA -0.126 58.923 59.018 0.052 0.000 1.792 181 C CB 1.298 29.039 27.740 0.002 0.000 2.300 181 C HN 0.780 nan 8.230 nan 0.000 0.515 182 Q N 3.849 123.718 119.800 0.115 0.000 2.331 182 Q HA 0.355 4.710 4.340 0.026 0.000 0.267 182 Q C -1.914 174.260 176.000 0.290 0.000 1.006 182 Q CA -0.334 55.560 55.803 0.151 0.000 0.818 182 Q CB 1.747 30.538 28.738 0.088 0.000 1.276 182 Q HN 0.956 nan 8.270 nan 0.000 0.450 183 Y N 6.579 126.976 120.300 0.162 0.000 2.422 183 Y HA 0.182 4.747 4.550 0.026 0.000 0.344 183 Y C 0.163 176.170 175.900 0.178 0.000 1.097 183 Y CA -0.427 57.798 58.100 0.209 0.000 1.307 183 Y CB 0.465 39.127 38.460 0.337 0.000 1.102 183 Y HN 0.923 nan 8.280 nan 0.000 0.520 184 M N 0.964 120.634 119.600 0.117 0.000 7.319 184 M HA -0.371 4.125 4.480 0.026 0.000 0.294 184 M C 0.103 176.385 176.300 -0.031 0.000 0.480 184 M CA 2.058 57.323 55.300 -0.059 0.000 1.311 184 M CB -1.008 31.383 32.600 -0.349 0.000 0.421 184 M HN 0.579 nan 8.290 nan 0.000 0.557 185 D N 1.081 121.409 120.400 -0.120 0.000 2.349 185 D HA 0.119 4.774 4.640 0.026 0.000 0.224 185 D C -0.360 175.894 176.300 -0.077 0.000 1.029 185 D CA 0.641 54.586 54.000 -0.092 0.000 0.879 185 D CB -0.098 40.636 40.800 -0.109 0.000 0.906 185 D HN 0.309 nan 8.370 nan 0.000 0.528 186 D N 0.782 121.122 120.400 -0.099 0.000 2.185 186 D HA 0.407 5.063 4.640 0.026 0.000 0.247 186 D C -0.633 175.519 176.300 -0.247 0.000 1.027 186 D CA -0.543 53.310 54.000 -0.244 0.000 0.861 186 D CB 2.412 42.999 40.800 -0.355 0.000 1.202 186 D HN -0.130 nan 8.370 nan 0.000 0.453 187 L N 2.744 123.724 121.223 -0.405 0.000 2.372 187 L HA 0.322 4.677 4.340 0.026 0.000 0.273 187 L C -1.594 175.011 176.870 -0.441 0.000 0.989 187 L CA -0.577 54.099 54.840 -0.274 0.000 0.841 187 L CB 0.833 42.789 42.059 -0.172 0.000 1.225 187 L HN 0.279 nan 8.230 nan 0.000 0.414 188 Y N 4.256 124.490 120.300 -0.110 0.000 2.404 188 Y HA 0.523 5.088 4.550 0.026 0.000 0.344 188 Y C -0.026 175.819 175.900 -0.091 0.000 0.970 188 Y CA -0.708 57.292 58.100 -0.166 0.000 1.180 188 Y CB 1.265 39.562 38.460 -0.272 0.000 1.138 188 Y HN 0.205 nan 8.280 nan 0.000 0.510 189 V N 3.682 123.627 119.914 0.053 0.000 2.370 189 V HA 0.794 4.929 4.120 0.026 0.000 0.283 189 V C 0.363 176.578 176.094 0.203 0.000 1.023 189 V CA -0.611 61.745 62.300 0.093 0.000 0.857 189 V CB 1.119 32.968 31.823 0.043 0.000 0.985 189 V HN 0.902 nan 8.190 nan 0.000 0.443 190 G N 2.906 111.818 108.800 0.187 0.000 2.605 190 G HA2 0.858 4.834 3.960 0.026 0.000 0.296 190 G HA3 0.858 4.834 3.960 0.026 0.000 0.296 190 G C -0.725 174.304 174.900 0.215 0.000 1.304 190 G CA -0.081 45.139 45.100 0.201 0.000 0.941 190 G HN 1.031 nan 8.290 nan 0.000 0.475 191 S N -1.220 114.585 115.700 0.174 0.000 2.661 191 S HA 0.516 5.001 4.470 0.026 0.000 0.268 191 S C -1.249 173.392 174.600 0.067 0.000 1.162 191 S CA -0.683 57.614 58.200 0.161 0.000 0.817 191 S CB 2.042 65.426 63.200 0.307 0.000 1.141 191 S HN 0.333 nan 8.310 nan 0.000 0.477 192 D N 0.536 120.973 120.400 0.061 0.000 2.501 192 D HA 0.339 4.994 4.640 0.026 0.000 0.224 192 D C 0.057 176.381 176.300 0.040 0.000 1.202 192 D CA -0.012 54.003 54.000 0.026 0.000 0.829 192 D CB 0.261 41.069 40.800 0.013 0.000 1.023 192 D HN 0.423 nan 8.370 nan 0.000 0.499 193 L N 1.719 122.990 121.223 0.081 0.000 2.452 193 L HA 0.128 4.484 4.340 0.026 0.000 0.267 193 L C 1.181 178.095 176.870 0.075 0.000 1.188 193 L CA -0.432 54.458 54.840 0.083 0.000 0.821 193 L CB 0.414 42.546 42.059 0.121 0.000 1.102 193 L HN 0.023 nan 8.230 nan 0.000 0.470 194 E N 1.773 122.008 120.200 0.059 0.000 2.415 194 E HA -0.013 4.353 4.350 0.026 0.000 0.262 194 E C 1.192 177.838 176.600 0.076 0.000 1.038 194 E CA -0.267 56.163 56.400 0.049 0.000 0.921 194 E CB 0.733 30.455 29.700 0.038 0.000 0.950 194 E HN 0.668 nan 8.360 nan 0.000 0.438 195 I N 0.589 121.194 120.570 0.058 0.000 2.181 195 I HA -0.274 3.912 4.170 0.026 0.000 0.247 195 I C 1.819 178.002 176.117 0.109 0.000 1.081 195 I CA 2.202 63.549 61.300 0.078 0.000 1.340 195 I CB -0.723 37.303 38.000 0.044 0.000 1.036 195 I HN 0.639 nan 8.210 nan 0.000 0.417 196 G N -0.102 108.744 108.800 0.077 0.000 2.422 196 G HA2 -0.256 3.719 3.960 0.026 0.000 0.218 196 G HA3 -0.256 3.719 3.960 0.026 0.000 0.218 196 G C 1.573 176.518 174.900 0.075 0.000 1.140 196 G CA 0.932 46.074 45.100 0.069 0.000 0.775 196 G HN 0.509 nan 8.290 nan 0.000 0.545 197 Q N -0.103 119.745 119.800 0.081 0.000 2.096 197 Q HA -0.035 4.320 4.340 0.026 0.000 0.197 197 Q C 2.128 178.183 176.000 0.091 0.000 0.964 197 Q CA 1.643 57.488 55.803 0.071 0.000 0.838 197 Q CB -0.527 28.248 28.738 0.061 0.000 0.906 197 Q HN 0.666 nan 8.270 nan 0.000 0.444 198 H N -0.004 119.093 119.070 0.045 0.000 2.319 198 H HA -0.063 4.508 4.556 0.026 0.000 0.299 198 H C 2.016 177.384 175.328 0.066 0.000 1.092 198 H CA 2.201 58.283 56.048 0.058 0.000 1.302 198 H CB 0.019 29.813 29.762 0.053 0.000 1.373 198 H HN 0.118 nan 8.280 nan 0.000 0.497 199 R N -0.259 120.320 120.500 0.133 0.000 2.096 199 R HA -0.113 4.242 4.340 0.026 0.000 0.235 199 R C 1.720 178.037 176.300 0.027 0.000 1.127 199 R CA 1.844 57.992 56.100 0.079 0.000 0.968 199 R CB -0.435 29.927 30.300 0.104 0.000 0.861 199 R HN 0.415 nan 8.270 nan 0.000 0.440 200 T N 1.207 115.782 114.554 0.034 0.000 2.821 200 T HA -0.037 4.328 4.350 0.026 0.000 0.267 200 T C 1.679 176.400 174.700 0.036 0.000 1.046 200 T CA 0.909 63.029 62.100 0.034 0.000 1.139 200 T CB 0.045 68.934 68.868 0.035 0.000 0.871 200 T HN 0.154 nan 8.240 nan 0.000 0.454 201 K N 0.731 121.141 120.400 0.017 0.000 2.116 201 K HA 0.140 4.475 4.320 0.026 0.000 0.203 201 K C 2.146 178.803 176.600 0.095 0.000 1.052 201 K CA 0.616 56.949 56.287 0.075 0.000 0.952 201 K CB -0.535 31.992 32.500 0.044 0.000 0.729 201 K HN 0.267 nan 8.250 nan 0.000 0.446 202 I N 1.688 122.224 120.570 -0.057 0.000 2.163 202 I HA -0.252 3.934 4.170 0.026 0.000 0.243 202 I C 2.351 178.454 176.117 -0.022 0.000 1.085 202 I CA 1.386 62.640 61.300 -0.077 0.000 1.347 202 I CB -0.529 37.408 38.000 -0.105 0.000 1.044 202 I HN 0.176 nan 8.210 nan 0.000 0.408 203 E N 0.610 120.816 120.200 0.011 0.000 2.153 203 E HA -0.259 4.106 4.350 0.026 0.000 0.194 203 E C 2.107 178.739 176.600 0.054 0.000 0.988 203 E CA 1.499 57.916 56.400 0.028 0.000 0.811 203 E CB -0.206 29.515 29.700 0.035 0.000 0.746 203 E HN 0.542 nan 8.360 nan 0.000 0.466 204 E N -0.180 120.080 120.200 0.100 0.000 2.047 204 E HA -0.151 4.214 4.350 0.026 0.000 0.191 204 E C 2.164 178.885 176.600 0.201 0.000 0.987 204 E CA 0.995 57.502 56.400 0.178 0.000 0.799 204 E CB -0.231 29.620 29.700 0.252 0.000 0.752 204 E HN 0.395 nan 8.360 nan 0.000 0.449 205 L N 0.733 121.994 121.223 0.064 0.000 2.017 205 L HA -0.211 4.145 4.340 0.026 0.000 0.208 205 L C 2.807 179.575 176.870 -0.171 0.000 1.073 205 L CA 1.464 56.054 54.840 -0.417 0.000 0.745 205 L CB -0.234 41.320 42.059 -0.841 0.000 0.894 205 L HN 0.126 nan 8.230 nan 0.000 0.432 206 R N -0.463 119.981 120.500 -0.094 0.000 2.091 206 R HA -0.237 4.118 4.340 0.026 0.000 0.238 206 R C 2.302 178.611 176.300 0.016 0.000 1.136 206 R CA 1.995 58.067 56.100 -0.047 0.000 0.959 206 R CB -0.143 30.143 30.300 -0.023 0.000 0.856 206 R HN 0.497 nan 8.270 nan 0.000 0.437 207 Q N -1.426 118.409 119.800 0.058 0.000 2.119 207 Q HA -0.208 4.147 4.340 0.026 0.000 0.201 207 Q C 1.951 178.047 176.000 0.160 0.000 0.972 207 Q CA 1.640 57.496 55.803 0.088 0.000 0.847 207 Q CB -0.163 28.625 28.738 0.083 0.000 0.903 207 Q HN 0.628 nan 8.270 nan 0.000 0.433 208 H N 0.606 119.713 119.070 0.062 0.000 2.270 208 H HA -0.133 4.438 4.556 0.026 0.000 0.299 208 H C 2.097 177.537 175.328 0.187 0.000 1.077 208 H CA 1.228 57.355 56.048 0.131 0.000 1.294 208 H CB 0.022 29.854 29.762 0.117 0.000 1.371 208 H HN 0.158 nan 8.280 nan 0.000 0.491 209 L N 0.626 121.852 121.223 0.005 0.000 2.043 209 L HA -0.240 4.115 4.340 0.026 0.000 0.212 209 L C 2.872 179.796 176.870 0.090 0.000 1.075 209 L CA 0.885 55.685 54.840 -0.066 0.000 0.752 209 L CB -0.364 41.611 42.059 -0.139 0.000 0.891 209 L HN 0.410 nan 8.230 nan 0.000 0.432 210 L N -0.370 120.901 121.223 0.080 0.000 2.131 210 L HA -0.232 4.123 4.340 0.026 0.000 0.210 210 L C 2.854 179.771 176.870 0.077 0.000 1.092 210 L CA 1.047 55.929 54.840 0.070 0.000 0.759 210 L CB -0.305 41.784 42.059 0.049 0.000 0.903 210 L HN 0.283 nan 8.230 nan 0.000 0.435 211 R N -0.535 120.027 120.500 0.104 0.000 2.120 211 R HA -0.207 4.148 4.340 0.026 0.000 0.234 211 R C 0.993 177.224 176.300 -0.115 0.000 1.123 211 R CA 1.459 57.556 56.100 -0.006 0.000 0.975 211 R CB -0.169 30.143 30.300 0.020 0.000 0.866 211 R HN 0.332 nan 8.270 nan 0.000 0.446 212 W N 0.389 121.689 121.300 0.000 0.000 3.314 212 W HA 0.316 4.991 4.660 0.026 0.000 0.419 212 W C 1.230 177.734 176.519 -0.025 0.000 1.021 212 W CA 0.492 57.822 57.345 -0.025 0.000 1.935 212 W CB 0.256 29.667 29.460 -0.082 0.000 1.008 212 W HN 0.398 nan 8.180 nan 0.000 0.803 213 G N 0.397 109.266 108.800 0.116 0.000 2.382 213 G HA2 -0.378 3.597 3.960 0.026 0.000 0.259 213 G HA3 -0.378 3.597 3.960 0.026 0.000 0.259 213 G C 0.471 175.426 174.900 0.092 0.000 1.009 213 G CA 0.270 45.424 45.100 0.089 0.000 0.625 213 G HN 0.216 nan 8.290 nan 0.000 0.541 214 L N 2.775 124.060 121.223 0.104 0.000 2.654 214 L HA 0.195 4.550 4.340 0.026 0.000 0.271 214 L C 1.271 178.172 176.870 0.052 0.000 1.169 214 L CA 0.046 54.931 54.840 0.074 0.000 0.947 214 L CB -0.074 42.008 42.059 0.038 0.000 1.232 214 L HN 0.168 nan 8.230 nan 0.000 0.486 215 T N 1.644 116.230 114.554 0.054 0.000 2.855 215 T HA -0.014 4.351 4.350 0.026 0.000 0.322 215 T C 0.490 175.201 174.700 0.017 0.000 1.088 215 T CA -0.044 62.077 62.100 0.034 0.000 1.104 215 T CB 0.707 69.595 68.868 0.034 0.000 0.996 215 T HN 0.635 nan 8.240 nan 0.000 0.549 216 T N 3.240 117.799 114.554 0.008 0.000 2.771 216 T HA 0.406 4.772 4.350 0.026 0.000 0.281 216 T C -2.389 172.306 174.700 -0.008 0.000 0.982 216 T CA -2.031 60.069 62.100 0.000 0.000 0.978 216 T CB 0.479 69.351 68.868 0.007 0.000 0.930 216 T HN 0.374 nan 8.240 nan 0.000 0.447 217 P HA 0.143 nan 4.420 nan 0.000 0.262 217 P C -0.279 177.031 177.300 0.017 0.000 1.199 217 P CA -0.205 62.885 63.100 -0.016 0.000 0.763 217 P CB 0.385 32.088 31.700 0.005 0.000 0.790 218 D N 2.410 122.814 120.400 0.007 0.000 2.478 218 D HA -0.080 4.575 4.640 0.026 0.000 0.234 218 D C 1.457 177.841 176.300 0.141 0.000 1.154 218 D CA 0.187 54.237 54.000 0.082 0.000 0.874 218 D CB 0.734 41.607 40.800 0.122 0.000 1.198 218 D HN 0.282 nan 8.370 nan 0.000 0.455 219 K N 2.047 122.511 120.400 0.106 0.000 2.281 219 K HA -0.180 4.156 4.320 0.026 0.000 0.203 219 K C 1.453 178.110 176.600 0.096 0.000 1.046 219 K CA 0.930 57.270 56.287 0.089 0.000 0.938 219 K CB 0.162 32.700 32.500 0.063 0.000 0.737 219 K HN 0.309 nan 8.250 nan 0.000 0.458 220 K N -0.047 120.430 120.400 0.130 0.000 2.097 220 K HA -0.127 4.208 4.320 0.026 0.000 0.205 220 K C 1.096 177.668 176.600 -0.046 0.000 1.050 220 K CA 1.316 57.630 56.287 0.047 0.000 0.938 220 K CB -0.071 32.462 32.500 0.054 0.000 0.718 220 K HN 0.370 nan 8.250 nan 0.000 0.442 221 H N 0.081 119.170 119.070 0.033 0.000 2.519 221 H HA 0.146 4.718 4.556 0.026 0.000 0.289 221 H C -0.068 175.285 175.328 0.042 0.000 1.040 221 H CA -0.174 55.896 56.048 0.036 0.000 1.165 221 H CB 0.161 29.941 29.762 0.030 0.000 1.462 221 H HN -0.066 nan 8.280 nan 0.000 0.555 222 Q N 1.914 121.793 119.800 0.133 0.000 2.286 222 Q HA 0.077 4.433 4.340 0.026 0.000 0.265 222 Q C -0.056 176.011 176.000 0.113 0.000 1.080 222 Q CA 0.178 56.046 55.803 0.109 0.000 0.906 222 Q CB 0.464 29.256 28.738 0.090 0.000 1.227 222 Q HN 0.496 nan 8.270 nan 0.000 0.409 223 K N 2.262 122.745 120.400 0.139 0.000 2.237 223 K HA 0.269 4.604 4.320 0.026 0.000 0.270 223 K C 0.142 176.889 176.600 0.245 0.000 1.015 223 K CA -0.230 56.172 56.287 0.191 0.000 0.949 223 K CB 0.944 33.577 32.500 0.222 0.000 0.976 223 K HN 0.368 nan 8.250 nan 0.000 0.472 224 E N 1.769 122.098 120.200 0.215 0.000 2.408 224 E HA 0.326 4.691 4.350 0.026 0.000 0.275 224 E C -2.550 173.950 176.600 -0.167 0.000 0.935 224 E CA -2.005 54.451 56.400 0.092 0.000 0.775 224 E CB 1.763 31.475 29.700 0.021 0.000 1.277 224 E HN 0.430 nan 8.360 nan 0.000 0.455 225 P HA 0.295 nan 4.420 nan 0.000 0.274 225 P C -2.437 174.626 177.300 -0.395 0.000 1.246 225 P CA -1.213 61.342 63.100 -0.909 0.000 0.795 225 P CB -0.583 30.525 31.700 -0.987 0.000 1.006 226 P HA 0.171 nan 4.420 nan 0.000 0.268 226 P C -0.718 176.500 177.300 -0.137 0.000 1.205 226 P CA 0.310 63.235 63.100 -0.292 0.000 0.771 226 P CB 0.002 31.566 31.700 -0.226 0.000 0.858 227 F N 1.995 122.066 119.950 0.202 0.000 2.420 227 F HA 0.208 4.751 4.527 0.025 0.000 0.352 227 F C 0.300 176.270 175.800 0.285 0.000 1.108 227 F CA -0.467 57.667 58.000 0.223 0.000 1.162 227 F CB 0.152 39.257 39.000 0.175 0.000 1.118 227 F HN 0.030 nan 8.300 nan 0.000 0.510 228 L N 4.397 125.903 121.223 0.472 0.000 2.328 228 L HA 0.131 4.486 4.340 0.026 0.000 0.280 228 L C -0.879 176.269 176.870 0.464 0.000 1.111 228 L CA -0.311 54.768 54.840 0.397 0.000 0.909 228 L CB -0.265 41.963 42.059 0.282 0.000 1.277 228 L HN 0.581 nan 8.230 nan 0.000 0.433 229 W N 6.828 128.288 121.300 0.265 0.000 2.282 229 W HA 0.507 5.182 4.660 0.025 0.000 0.322 229 W C 0.075 176.753 176.519 0.265 0.000 1.011 229 W CA -2.018 55.462 57.345 0.224 0.000 1.392 229 W CB 0.625 30.151 29.460 0.110 0.000 1.215 229 W HN 0.600 nan 8.180 nan 0.000 0.394 230 M N 5.631 125.194 119.600 -0.062 0.000 3.590 230 M HA -0.089 4.406 4.480 0.026 0.000 0.160 230 M C 0.974 177.203 176.300 -0.119 0.000 1.460 230 M CA 1.870 57.067 55.300 -0.172 0.000 0.958 230 M CB -1.659 30.732 32.600 -0.348 0.000 1.312 230 M HN 0.983 nan 8.290 nan 0.000 0.501 231 G N -0.474 108.295 108.800 -0.051 0.000 2.376 231 G HA2 -0.199 3.776 3.960 0.026 0.000 0.208 231 G HA3 -0.199 3.776 3.960 0.026 0.000 0.208 231 G C -0.228 174.538 174.900 -0.224 0.000 1.032 231 G CA -0.076 44.896 45.100 -0.213 0.000 0.641 231 G HN 0.911 nan 8.290 nan 0.000 0.503 232 Y N 0.306 120.726 120.300 0.199 0.000 2.693 232 Y HA 0.786 5.351 4.550 0.025 0.000 0.331 232 Y C 0.182 176.265 175.900 0.305 0.000 1.092 232 Y CA -1.574 56.691 58.100 0.274 0.000 1.131 232 Y CB 0.960 39.599 38.460 0.298 0.000 1.318 232 Y HN 0.058 nan 8.280 nan 0.000 0.510 233 E N 1.572 122.082 120.200 0.517 0.000 2.141 233 E HA 0.348 4.713 4.350 0.026 0.000 0.259 233 E C -1.513 175.382 176.600 0.492 0.000 0.883 233 E CA -0.668 56.005 56.400 0.455 0.000 0.744 233 E CB 1.080 31.013 29.700 0.388 0.000 1.150 233 E HN 0.261 nan 8.360 nan 0.000 0.420 234 L N 4.247 125.787 121.223 0.527 0.000 2.278 234 L HA 0.296 4.652 4.340 0.026 0.000 0.287 234 L C 0.362 177.579 176.870 0.578 0.000 1.072 234 L CA 0.199 55.361 54.840 0.536 0.000 0.819 234 L CB -0.486 41.837 42.059 0.441 0.000 1.176 234 L HN 0.519 nan 8.230 nan 0.000 0.435 235 H N 4.804 124.072 119.070 0.331 0.000 2.595 235 H HA 0.262 4.833 4.556 0.026 0.000 0.346 235 H C -1.314 174.183 175.328 0.282 0.000 1.181 235 H CA -1.813 54.356 56.048 0.203 0.000 1.242 235 H CB 1.898 31.746 29.762 0.143 0.000 1.652 235 H HN 0.349 nan 8.280 nan 0.000 0.548 236 P HA -0.216 nan 4.420 nan 0.000 0.216 236 P C 0.660 178.143 177.300 0.306 0.000 1.150 236 P CA 1.688 64.904 63.100 0.193 0.000 0.843 236 P CB 0.548 32.299 31.700 0.085 0.000 0.787 237 D N -0.816 119.793 120.400 0.347 0.000 2.469 237 D HA 0.084 4.739 4.640 0.026 0.000 0.213 237 D C 0.573 177.034 176.300 0.267 0.000 1.135 237 D CA 0.266 54.462 54.000 0.327 0.000 0.834 237 D CB 0.903 41.809 40.800 0.176 0.000 1.009 237 D HN 0.386 nan 8.370 nan 0.000 0.507 238 K N -0.536 119.991 120.400 0.212 0.000 2.607 238 K HA 0.328 4.663 4.320 0.026 0.000 0.287 238 K C -1.289 175.236 176.600 -0.125 0.000 0.996 238 K CA -1.121 55.067 56.287 -0.165 0.000 0.876 238 K CB 1.071 33.492 32.500 -0.132 0.000 1.496 238 K HN -0.116 nan 8.250 nan 0.000 0.415 239 W N 0.757 121.821 121.300 -0.393 0.000 2.761 239 W HA 0.650 5.326 4.660 0.026 0.000 0.340 239 W C -1.135 175.297 176.519 -0.145 0.000 1.072 239 W CA -0.819 56.391 57.345 -0.225 0.000 1.215 239 W CB 1.216 30.535 29.460 -0.235 0.000 1.420 239 W HN 0.865 nan 8.180 nan 0.000 0.519 240 T N -1.255 113.377 114.554 0.130 0.000 2.887 240 T HA 0.673 5.039 4.350 0.026 0.000 0.292 240 T C -1.172 173.738 174.700 0.350 0.000 1.087 240 T CA -0.700 61.430 62.100 0.050 0.000 1.009 240 T CB 1.758 70.569 68.868 -0.094 0.000 1.203 240 T HN 0.391 nan 8.240 nan 0.000 0.518 241 V N 1.919 121.971 119.914 0.230 0.000 2.398 241 V HA 0.365 4.500 4.120 0.026 0.000 0.286 241 V C 0.328 176.522 176.094 0.166 0.000 1.026 241 V CA -0.984 61.455 62.300 0.232 0.000 0.868 241 V CB 1.229 33.146 31.823 0.156 0.000 0.982 241 V HN 0.945 nan 8.190 nan 0.000 0.443 242 Q N 6.013 125.905 119.800 0.153 0.000 2.269 242 Q HA 0.103 4.458 4.340 0.026 0.000 0.300 242 Q C -2.040 174.043 176.000 0.137 0.000 1.070 242 Q CA -0.948 54.938 55.803 0.139 0.000 0.957 242 Q CB 0.185 28.995 28.738 0.119 0.000 1.131 242 Q HN 0.525 nan 8.270 nan 0.000 0.377 243 P HA -0.023 nan 4.420 nan 0.000 0.264 243 P C -0.903 176.464 177.300 0.112 0.000 1.183 243 P CA 0.200 63.375 63.100 0.124 0.000 0.763 243 P CB 0.481 32.237 31.700 0.094 0.000 0.807 244 I N 3.718 124.358 120.570 0.117 0.000 2.312 244 I HA 0.133 4.319 4.170 0.026 0.000 0.290 244 I C 0.596 176.748 176.117 0.058 0.000 1.008 244 I CA -0.791 60.571 61.300 0.103 0.000 1.226 244 I CB 1.097 39.183 38.000 0.143 0.000 1.371 244 I HN 0.145 nan 8.210 nan 0.000 0.468 245 V N 5.318 125.264 119.914 0.054 0.000 2.439 245 V HA 0.544 4.680 4.120 0.026 0.000 0.282 245 V C -0.201 175.924 176.094 0.051 0.000 1.039 245 V CA -0.707 61.619 62.300 0.043 0.000 0.913 245 V CB 1.352 33.199 31.823 0.039 0.000 0.983 245 V HN 0.375 nan 8.190 nan 0.000 0.460 246 L N 6.933 128.188 121.223 0.053 0.000 2.265 246 L HA 0.493 4.848 4.340 0.026 0.000 0.288 246 L C -1.848 175.090 176.870 0.113 0.000 1.058 246 L CA -1.718 53.175 54.840 0.087 0.000 0.809 246 L CB 0.832 42.936 42.059 0.074 0.000 1.179 246 L HN 0.637 nan 8.230 nan 0.000 0.429 247 P HA 0.109 nan 4.420 nan 0.000 0.269 247 P C -0.262 177.123 177.300 0.142 0.000 1.252 247 P CA -0.190 62.963 63.100 0.090 0.000 0.780 247 P CB 0.760 32.483 31.700 0.038 0.000 0.829 248 E N 3.742 124.002 120.200 0.099 0.000 2.289 248 E HA 0.217 4.582 4.350 0.026 0.000 0.278 248 E C -0.430 176.163 176.600 -0.011 0.000 1.032 248 E CA -0.410 56.077 56.400 0.144 0.000 0.854 248 E CB 0.626 30.392 29.700 0.110 0.000 1.046 248 E HN 0.321 nan 8.360 nan 0.000 0.409 249 K N 2.772 123.147 120.400 -0.041 0.000 2.430 249 K HA 0.269 4.604 4.320 0.026 0.000 0.268 249 K C -0.772 175.779 176.600 -0.080 0.000 1.043 249 K CA -0.874 55.246 56.287 -0.279 0.000 0.899 249 K CB 1.312 33.313 32.500 -0.831 0.000 1.472 249 K HN 0.337 nan 8.250 nan 0.000 0.451 250 D N 0.545 120.867 120.400 -0.130 0.000 2.623 250 D HA 0.237 4.892 4.640 0.026 0.000 0.252 250 D C -1.234 175.050 176.300 -0.027 0.000 1.294 250 D CA 0.238 54.239 54.000 0.002 0.000 0.824 250 D CB 0.639 41.440 40.800 0.002 0.000 1.070 250 D HN 0.367 nan 8.370 nan 0.000 0.487 251 S N -0.073 115.516 115.700 -0.184 0.000 2.582 251 S HA 0.279 4.764 4.470 0.026 0.000 0.287 251 S C -1.710 172.673 174.600 -0.363 0.000 1.146 251 S CA -0.733 57.391 58.200 -0.127 0.000 0.941 251 S CB 0.811 63.939 63.200 -0.120 0.000 1.115 251 S HN 0.107 nan 8.310 nan 0.000 0.458 252 W N 2.328 123.626 121.300 -0.003 0.000 2.554 252 W HA 0.517 5.193 4.660 0.027 0.000 0.324 252 W C 0.526 177.043 176.519 -0.002 0.000 1.018 252 W CA -0.571 56.773 57.345 -0.003 0.000 1.243 252 W CB 1.483 30.942 29.460 -0.002 0.000 1.345 252 W HN 0.639 nan 8.180 nan 0.000 0.441 253 T N -1.502 113.146 114.554 0.157 0.000 2.902 253 T HA 0.295 4.661 4.350 0.026 0.000 0.280 253 T C 0.912 175.689 174.700 0.128 0.000 0.992 253 T CA -0.708 61.455 62.100 0.104 0.000 1.015 253 T CB 1.526 70.418 68.868 0.041 0.000 1.044 253 T HN 0.192 nan 8.240 nan 0.000 0.520 254 V N 1.887 121.852 119.914 0.086 0.000 2.278 254 V HA -0.252 3.883 4.120 0.026 0.000 0.251 254 V C 2.801 178.940 176.094 0.075 0.000 1.062 254 V CA 2.534 64.878 62.300 0.073 0.000 1.038 254 V CB -1.189 30.662 31.823 0.047 0.000 0.646 254 V HN 1.009 nan 8.190 nan 0.000 0.447 255 N N -0.532 118.204 118.700 0.061 0.000 2.069 255 N HA -0.207 4.548 4.740 0.026 0.000 0.191 255 N C 1.556 177.113 175.510 0.079 0.000 1.031 255 N CA 1.447 54.529 53.050 0.053 0.000 0.852 255 N CB -0.063 38.443 38.487 0.032 0.000 1.018 255 N HN 0.514 nan 8.380 nan 0.000 0.423 256 D N 0.898 121.361 120.400 0.105 0.000 2.104 256 D HA -0.148 4.507 4.640 0.026 0.000 0.194 256 D C 1.994 178.451 176.300 0.262 0.000 0.994 256 D CA 0.873 54.971 54.000 0.164 0.000 0.830 256 D CB -0.291 40.604 40.800 0.159 0.000 0.959 256 D HN 0.417 nan 8.370 nan 0.000 0.452 257 I N 0.944 121.669 120.570 0.258 0.000 2.226 257 I HA -0.283 3.902 4.170 0.026 0.000 0.245 257 I C 2.514 178.684 176.117 0.089 0.000 1.100 257 I CA 1.109 62.509 61.300 0.167 0.000 1.374 257 I CB -0.351 37.711 38.000 0.103 0.000 1.057 257 I HN 0.001 nan 8.210 nan 0.000 0.413 258 Q N 0.900 120.746 119.800 0.076 0.000 2.084 258 Q HA -0.214 4.141 4.340 0.026 0.000 0.202 258 Q C 2.239 178.272 176.000 0.055 0.000 0.978 258 Q CA 1.387 57.221 55.803 0.051 0.000 0.844 258 Q CB -0.142 28.621 28.738 0.042 0.000 0.898 258 Q HN 0.502 nan 8.270 nan 0.000 0.426 259 K N 0.486 120.927 120.400 0.068 0.000 2.032 259 K HA -0.183 4.152 4.320 0.026 0.000 0.209 259 K C 2.140 178.784 176.600 0.074 0.000 1.048 259 K CA 1.017 57.340 56.287 0.061 0.000 0.927 259 K CB -0.290 32.248 32.500 0.063 0.000 0.712 259 K HN 0.077 nan 8.250 nan 0.000 0.441 260 L N 1.292 122.579 121.223 0.106 0.000 1.955 260 L HA -0.221 4.134 4.340 0.026 0.000 0.213 260 L C 2.180 179.081 176.870 0.051 0.000 1.072 260 L CA 1.579 56.475 54.840 0.094 0.000 0.755 260 L CB -0.586 41.524 42.059 0.085 0.000 0.888 260 L HN -0.086 nan 8.230 nan 0.000 0.432 261 V N 0.350 120.282 119.914 0.031 0.000 2.317 261 V HA -0.340 3.795 4.120 0.026 0.000 0.251 261 V C 2.566 178.690 176.094 0.049 0.000 1.065 261 V CA 2.074 64.388 62.300 0.024 0.000 1.049 261 V CB -1.779 30.053 31.823 0.015 0.000 0.651 261 V HN 0.712 nan 8.190 nan 0.000 0.450 262 G N -0.978 107.854 108.800 0.054 0.000 2.421 262 G HA2 -0.295 3.680 3.960 0.026 0.000 0.216 262 G HA3 -0.295 3.680 3.960 0.026 0.000 0.216 262 G C 1.647 176.604 174.900 0.096 0.000 1.171 262 G CA 0.987 46.126 45.100 0.065 0.000 0.775 262 G HN 0.491 nan 8.290 nan 0.000 0.543 263 K N -0.354 120.096 120.400 0.083 0.000 2.097 263 K HA 0.038 4.374 4.320 0.026 0.000 0.206 263 K C 2.329 179.045 176.600 0.193 0.000 1.049 263 K CA 0.597 56.954 56.287 0.116 0.000 0.933 263 K CB -0.151 32.397 32.500 0.079 0.000 0.717 263 K HN 0.158 nan 8.250 nan 0.000 0.442 264 L N 1.581 122.877 121.223 0.122 0.000 2.217 264 L HA -0.135 4.221 4.340 0.026 0.000 0.211 264 L C 2.144 179.079 176.870 0.107 0.000 1.107 264 L CA 1.387 56.284 54.840 0.095 0.000 0.783 264 L CB -1.389 40.691 42.059 0.035 0.000 0.919 264 L HN 0.427 nan 8.230 nan 0.000 0.442 265 N N -0.260 118.514 118.700 0.124 0.000 2.216 265 N HA -0.221 4.535 4.740 0.026 0.000 0.183 265 N C 1.959 177.569 175.510 0.166 0.000 1.017 265 N CA 0.998 54.119 53.050 0.118 0.000 0.861 265 N CB -0.058 38.494 38.487 0.109 0.000 0.986 265 N HN 0.522 nan 8.380 nan 0.000 0.428 266 W N 2.007 123.326 121.300 0.031 0.000 2.425 266 W HA 0.028 4.705 4.660 0.028 0.000 0.277 266 W C 1.488 178.038 176.519 0.052 0.000 1.231 266 W CA 1.149 58.515 57.345 0.034 0.000 1.248 266 W CB -0.415 29.058 29.460 0.022 0.000 1.117 266 W HN 0.035 nan 8.180 nan 0.000 0.568 267 A N 1.030 123.855 122.820 0.009 0.000 2.014 267 A HA -0.112 4.223 4.320 0.026 0.000 0.218 267 A C 2.103 179.669 177.584 -0.031 0.000 1.163 267 A CA 1.666 53.669 52.037 -0.057 0.000 0.652 267 A CB -0.934 18.151 19.000 0.142 0.000 0.808 267 A HN 0.262 nan 8.150 nan 0.000 0.449 268 S N 0.300 115.988 115.700 -0.021 0.000 2.392 268 S HA -0.249 4.237 4.470 0.026 0.000 0.232 268 S C 2.075 176.616 174.600 -0.098 0.000 1.041 268 S CA 1.579 59.765 58.200 -0.023 0.000 1.026 268 S CB -0.317 62.877 63.200 -0.009 0.000 0.845 268 S HN 0.652 nan 8.310 nan 0.000 0.465 269 Q N 0.672 120.358 119.800 -0.190 0.000 1.975 269 Q HA -0.039 4.316 4.340 0.026 0.000 0.205 269 Q C 2.230 178.050 176.000 -0.300 0.000 0.990 269 Q CA 1.172 56.812 55.803 -0.271 0.000 0.845 269 Q CB -0.854 27.675 28.738 -0.348 0.000 0.913 269 Q HN 0.586 nan 8.270 nan 0.000 0.420 270 I N -0.833 119.531 120.570 -0.344 0.000 3.428 270 I HA -0.088 4.098 4.170 0.026 0.000 0.286 270 I C -0.385 175.411 176.117 -0.535 0.000 1.287 270 I CA 0.431 61.479 61.300 -0.421 0.000 1.396 270 I CB 0.066 37.791 38.000 -0.459 0.000 1.062 270 I HN 0.003 nan 8.210 nan 0.000 0.471 271 Y N 0.460 120.662 120.300 -0.164 0.000 2.609 271 Y HA 0.402 4.967 4.550 0.024 0.000 0.350 271 Y C -1.906 173.928 175.900 -0.111 0.000 1.050 271 Y CA -2.317 55.712 58.100 -0.117 0.000 1.290 271 Y CB 0.684 39.090 38.460 -0.090 0.000 1.094 271 Y HN 0.002 nan 8.280 nan 0.000 0.583 272 P HA -0.136 nan 4.420 nan 0.000 0.221 272 P C 1.660 178.957 177.300 -0.005 0.000 1.145 272 P CA 1.667 64.749 63.100 -0.031 0.000 0.795 272 P CB 0.444 32.105 31.700 -0.065 0.000 0.775 273 G N -0.139 108.675 108.800 0.023 0.000 2.422 273 G HA2 -0.119 3.856 3.960 0.026 0.000 0.218 273 G HA3 -0.119 3.856 3.960 0.026 0.000 0.218 273 G C 0.673 175.568 174.900 -0.010 0.000 1.140 273 G CA -0.034 45.068 45.100 0.004 0.000 0.775 273 G HN 0.143 nan 8.290 nan 0.000 0.545 274 I N 0.987 121.555 120.570 -0.005 0.000 2.996 274 I HA -0.001 4.185 4.170 0.026 0.000 0.311 274 I C 0.187 176.291 176.117 -0.022 0.000 1.219 274 I CA 1.083 62.368 61.300 -0.024 0.000 1.452 274 I CB -0.103 37.890 38.000 -0.012 0.000 1.319 274 I HN 0.140 nan 8.210 nan 0.000 0.564 275 K N 4.528 124.909 120.400 -0.032 0.000 2.426 275 K HA 0.568 4.903 4.320 0.026 0.000 0.251 275 K C -0.097 176.482 176.600 -0.035 0.000 0.941 275 K CA -0.612 55.657 56.287 -0.030 0.000 0.808 275 K CB 2.846 35.326 32.500 -0.034 0.000 1.265 275 K HN 0.440 nan 8.250 nan 0.000 0.432 276 V N -0.794 119.103 119.914 -0.028 0.000 3.070 276 V HA 0.259 4.394 4.120 0.026 0.000 0.355 276 V C 1.001 177.075 176.094 -0.033 0.000 1.400 276 V CA -0.333 61.947 62.300 -0.033 0.000 1.170 276 V CB 0.142 31.954 31.823 -0.018 0.000 1.169 276 V HN 0.667 nan 8.190 nan 0.000 0.554 277 R N 0.110 120.590 120.500 -0.033 0.000 2.064 277 R HA -0.032 4.323 4.340 0.026 0.000 0.228 277 R C 2.171 178.448 176.300 -0.038 0.000 1.144 277 R CA 2.117 58.198 56.100 -0.031 0.000 0.932 277 R CB -0.280 30.002 30.300 -0.029 0.000 0.833 277 R HN 0.481 nan 8.270 nan 0.000 0.429 278 Q N 0.388 120.159 119.800 -0.048 0.000 2.234 278 Q HA -0.070 4.285 4.340 0.026 0.000 0.206 278 Q C 1.076 177.033 176.000 -0.072 0.000 0.980 278 Q CA 0.854 56.623 55.803 -0.056 0.000 0.869 278 Q CB -0.164 28.537 28.738 -0.062 0.000 0.912 278 Q HN 0.215 nan 8.270 nan 0.000 0.436 282 L N 1.720 122.927 121.223 -0.027 0.000 2.599 282 L HA 0.153 4.509 4.340 0.026 0.000 0.230 282 L C 0.951 177.818 176.870 -0.004 0.000 1.141 282 L CA 0.823 55.651 54.840 -0.021 0.000 0.877 282 L CB 0.160 42.196 42.059 -0.039 0.000 1.009 282 L HN 0.171 nan 8.230 nan 0.000 0.447 283 L N -1.345 119.876 121.223 -0.002 0.000 2.585 283 L HA 0.158 4.513 4.340 0.026 0.000 0.226 283 L C 1.083 177.958 176.870 0.007 0.000 1.113 283 L CA 0.253 55.097 54.840 0.007 0.000 0.876 283 L CB -0.402 41.662 42.059 0.009 0.000 1.072 283 L HN 0.028 nan 8.230 nan 0.000 0.468 284 R N 0.337 120.839 120.500 0.003 0.000 2.502 284 R HA 0.241 4.597 4.340 0.026 0.000 0.292 284 R C 1.367 177.670 176.300 0.006 0.000 0.998 284 R CA 0.819 56.921 56.100 0.003 0.000 1.056 284 R CB -0.220 30.080 30.300 -0.000 0.000 0.939 284 R HN 0.341 nan 8.270 nan 0.000 0.411 285 G N 2.180 110.984 108.800 0.006 0.000 2.196 285 G HA2 -0.380 3.596 3.960 0.026 0.000 0.268 285 G HA3 -0.380 3.596 3.960 0.026 0.000 0.268 285 G C 0.401 175.307 174.900 0.010 0.000 0.975 285 G CA 0.791 45.895 45.100 0.007 0.000 0.648 285 G HN 0.807 nan 8.290 nan 0.000 0.538 286 T N -1.044 113.517 114.554 0.012 0.000 2.903 286 T HA 0.275 4.640 4.350 0.026 0.000 0.299 286 T C 1.419 176.127 174.700 0.014 0.000 1.041 286 T CA 1.094 63.203 62.100 0.015 0.000 1.138 286 T CB 1.044 69.923 68.868 0.019 0.000 1.040 286 T HN 0.921 nan 8.240 nan 0.000 0.524 287 K N 1.468 121.877 120.400 0.015 0.000 2.308 287 K HA 0.550 4.885 4.320 0.026 0.000 0.197 287 K C 0.598 177.206 176.600 0.013 0.000 1.049 287 K CA 0.042 56.337 56.287 0.013 0.000 0.991 287 K CB 0.557 33.064 32.500 0.012 0.000 0.836 287 K HN 0.794 nan 8.250 nan 0.000 0.500 288 A N 0.603 123.433 122.820 0.016 0.000 2.604 288 A HA 0.411 4.747 4.320 0.026 0.000 0.295 288 A C 0.188 177.783 177.584 0.019 0.000 1.067 288 A CA -0.812 51.234 52.037 0.015 0.000 0.683 288 A CB 0.734 19.741 19.000 0.013 0.000 1.281 288 A HN 0.116 nan 8.150 nan 0.000 0.407 289 L N 0.547 121.780 121.223 0.018 0.000 2.131 289 L HA -0.144 4.211 4.340 0.026 0.000 0.210 289 L C 2.754 179.638 176.870 0.023 0.000 1.092 289 L CA 2.170 57.023 54.840 0.021 0.000 0.759 289 L CB -0.387 41.682 42.059 0.017 0.000 0.903 289 L HN 0.996 nan 8.230 nan 0.000 0.435 290 T N -3.700 110.864 114.554 0.016 0.000 3.067 290 T HA -0.096 4.269 4.350 0.026 0.000 0.261 290 T C 0.859 175.570 174.700 0.018 0.000 1.110 290 T CA -0.202 61.905 62.100 0.013 0.000 1.113 290 T CB -0.223 68.649 68.868 0.006 0.000 0.917 290 T HN 0.273 nan 8.240 nan 0.000 0.499 291 E N 1.604 121.818 120.200 0.022 0.000 2.529 291 E HA 0.112 4.478 4.350 0.026 0.000 0.259 291 E C -0.746 175.877 176.600 0.039 0.000 0.966 291 E CA -0.222 56.194 56.400 0.026 0.000 0.937 291 E CB 0.526 30.242 29.700 0.026 0.000 0.923 291 E HN 0.217 nan 8.360 nan 0.000 0.468 292 V N 6.414 126.351 119.914 0.038 0.000 2.607 292 V HA 0.309 4.445 4.120 0.026 0.000 0.289 292 V C 0.378 176.513 176.094 0.068 0.000 1.053 292 V CA -0.283 62.051 62.300 0.056 0.000 0.996 292 V CB 1.069 32.916 31.823 0.040 0.000 0.995 292 V HN 0.507 nan 8.190 nan 0.000 0.476 293 I N 5.879 126.511 120.570 0.104 0.000 2.498 293 I HA 0.437 4.623 4.170 0.026 0.000 0.290 293 I C -2.455 173.727 176.117 0.110 0.000 1.032 293 I CA -1.952 59.401 61.300 0.089 0.000 1.073 293 I CB 2.618 40.664 38.000 0.076 0.000 1.251 293 I HN 0.456 nan 8.210 nan 0.000 0.426 294 P HA 0.235 nan 4.420 nan 0.000 0.286 294 P C -0.932 176.387 177.300 0.033 0.000 1.269 294 P CA -0.529 62.612 63.100 0.070 0.000 0.787 294 P CB 1.235 32.963 31.700 0.046 0.000 0.920 295 L N 3.937 125.171 121.223 0.019 0.000 2.418 295 L HA 0.133 4.489 4.340 0.026 0.000 0.274 295 L C 1.747 178.594 176.870 -0.039 0.000 1.135 295 L CA 0.693 55.499 54.840 -0.057 0.000 0.870 295 L CB -0.588 41.397 42.059 -0.123 0.000 1.154 295 L HN 0.506 nan 8.230 nan 0.000 0.462 296 T N -0.742 113.784 114.554 -0.046 0.000 2.680 296 T HA 0.018 4.383 4.350 0.026 0.000 0.314 296 T C 1.087 175.764 174.700 -0.039 0.000 1.045 296 T CA -0.104 61.976 62.100 -0.033 0.000 1.025 296 T CB 0.532 69.380 68.868 -0.034 0.000 1.000 296 T HN 0.717 nan 8.240 nan 0.000 0.535 297 E N 0.065 120.248 120.200 -0.029 0.000 2.106 297 E HA -0.162 4.203 4.350 0.026 0.000 0.192 297 E C 1.876 178.453 176.600 -0.038 0.000 0.984 297 E CA 1.055 57.438 56.400 -0.028 0.000 0.806 297 E CB -0.065 29.624 29.700 -0.019 0.000 0.750 297 E HN 0.745 nan 8.360 nan 0.000 0.458 298 E N 0.516 120.693 120.200 -0.039 0.000 2.110 298 E HA -0.136 4.230 4.350 0.026 0.000 0.193 298 E C 1.760 178.324 176.600 -0.061 0.000 0.988 298 E CA 1.217 57.591 56.400 -0.043 0.000 0.804 298 E CB -0.301 29.376 29.700 -0.038 0.000 0.745 298 E HN 0.378 nan 8.360 nan 0.000 0.458 299 A N 0.774 123.549 122.820 -0.075 0.000 1.873 299 A HA -0.211 4.124 4.320 0.026 0.000 0.215 299 A C 2.184 179.691 177.584 -0.128 0.000 1.186 299 A CA 1.696 53.667 52.037 -0.111 0.000 0.616 299 A CB -0.568 18.352 19.000 -0.133 0.000 0.823 299 A HN 0.208 nan 8.150 nan 0.000 0.442 300 E N -0.261 119.875 120.200 -0.107 0.000 2.049 300 E HA -0.222 4.143 4.350 0.026 0.000 0.198 300 E C 1.789 178.344 176.600 -0.074 0.000 1.007 300 E CA 1.553 57.898 56.400 -0.092 0.000 0.809 300 E CB -0.432 29.236 29.700 -0.052 0.000 0.749 300 E HN 0.408 nan 8.360 nan 0.000 0.450 301 L N 1.051 122.238 121.223 -0.059 0.000 1.970 301 L HA -0.214 4.141 4.340 0.026 0.000 0.212 301 L C 2.390 179.224 176.870 -0.059 0.000 1.071 301 L CA 2.508 57.319 54.840 -0.049 0.000 0.751 301 L CB -0.715 41.320 42.059 -0.040 0.000 0.889 301 L HN 0.310 nan 8.230 nan 0.000 0.432 302 E N -0.875 119.284 120.200 -0.070 0.000 2.049 302 E HA -0.302 4.063 4.350 0.026 0.000 0.198 302 E C 2.215 178.762 176.600 -0.089 0.000 1.007 302 E CA 1.761 58.116 56.400 -0.075 0.000 0.809 302 E CB -0.356 29.296 29.700 -0.080 0.000 0.749 302 E HN 0.387 nan 8.360 nan 0.000 0.450 303 L N 0.746 121.898 121.223 -0.119 0.000 2.127 303 L HA -0.157 4.198 4.340 0.026 0.000 0.211 303 L C 2.119 178.938 176.870 -0.086 0.000 1.089 303 L CA 2.203 56.963 54.840 -0.134 0.000 0.757 303 L CB -0.721 41.209 42.059 -0.215 0.000 0.899 303 L HN 0.217 nan 8.230 nan 0.000 0.434 304 A N -0.646 122.133 122.820 -0.068 0.000 1.855 304 A HA -0.200 4.136 4.320 0.026 0.000 0.215 304 A C 2.113 179.669 177.584 -0.046 0.000 1.191 304 A CA 1.594 53.605 52.037 -0.044 0.000 0.613 304 A CB -0.634 18.346 19.000 -0.033 0.000 0.829 304 A HN 0.579 nan 8.150 nan 0.000 0.442 305 E N 0.312 120.482 120.200 -0.051 0.000 2.058 305 E HA -0.215 4.151 4.350 0.026 0.000 0.194 305 E C 1.859 178.418 176.600 -0.067 0.000 0.997 305 E CA 1.329 57.698 56.400 -0.051 0.000 0.801 305 E CB -0.280 29.391 29.700 -0.048 0.000 0.746 305 E HN 0.528 nan 8.360 nan 0.000 0.450 306 N N 0.893 119.547 118.700 -0.077 0.000 2.094 306 N HA -0.178 4.577 4.740 0.026 0.000 0.191 306 N C 1.684 177.125 175.510 -0.115 0.000 1.023 306 N CA 1.075 54.065 53.050 -0.100 0.000 0.857 306 N CB -0.269 38.164 38.487 -0.090 0.000 1.013 306 N HN 0.163 nan 8.380 nan 0.000 0.426 307 R N 0.547 120.999 120.500 -0.079 0.000 2.105 307 R HA -0.134 4.222 4.340 0.026 0.000 0.239 307 R C 1.945 178.200 176.300 -0.075 0.000 1.135 307 R CA 1.149 57.210 56.100 -0.064 0.000 0.967 307 R CB -0.112 30.170 30.300 -0.030 0.000 0.861 307 R HN 0.215 nan 8.270 nan 0.000 0.442 308 E N 1.033 121.192 120.200 -0.069 0.000 2.006 308 E HA -0.137 4.229 4.350 0.026 0.000 0.192 308 E C 1.757 178.305 176.600 -0.086 0.000 0.993 308 E CA 0.972 57.337 56.400 -0.059 0.000 0.808 308 E CB -0.268 29.406 29.700 -0.043 0.000 0.764 308 E HN 0.241 nan 8.360 nan 0.000 0.449 309 I N 0.315 120.817 120.570 -0.114 0.000 2.315 309 I HA -0.254 3.932 4.170 0.026 0.000 0.251 309 I C 1.460 177.374 176.117 -0.338 0.000 1.125 309 I CA 1.147 62.357 61.300 -0.151 0.000 1.392 309 I CB 0.040 37.954 38.000 -0.142 0.000 1.065 309 I HN 0.153 nan 8.210 nan 0.000 0.424 310 L N 0.398 121.379 121.223 -0.403 0.000 2.622 310 L HA -0.090 4.265 4.340 0.026 0.000 0.233 310 L C 2.143 178.896 176.870 -0.195 0.000 1.156 310 L CA 0.602 55.127 54.840 -0.524 0.000 0.866 310 L CB -0.485 41.368 42.059 -0.344 0.000 0.980 310 L HN 0.279 nan 8.230 nan 0.000 0.448 311 K N -0.043 120.300 120.400 -0.095 0.000 2.128 311 K HA -0.035 4.301 4.320 0.026 0.000 0.202 311 K C 0.584 177.217 176.600 0.055 0.000 1.050 311 K CA 0.053 56.336 56.287 -0.006 0.000 0.966 311 K CB 0.210 32.707 32.500 -0.006 0.000 0.759 311 K HN 0.009 nan 8.250 nan 0.000 0.454 312 E N 1.962 122.209 120.200 0.080 0.000 2.529 312 E HA -0.034 4.332 4.350 0.026 0.000 0.259 312 E C -2.549 174.176 176.600 0.209 0.000 0.966 312 E CA -1.150 55.336 56.400 0.144 0.000 0.937 312 E CB 0.356 30.160 29.700 0.174 0.000 0.923 312 E HN -0.027 nan 8.360 nan 0.000 0.468 313 P HA 0.093 nan 4.420 nan 0.000 0.287 313 P C -1.186 176.200 177.300 0.142 0.000 1.294 313 P CA -0.450 62.731 63.100 0.135 0.000 0.776 313 P CB 0.776 32.518 31.700 0.070 0.000 0.889 314 V N 2.401 122.331 119.914 0.027 0.000 2.318 314 V HA 0.488 4.623 4.120 0.026 0.000 0.271 314 V C -0.050 175.902 176.094 -0.236 0.000 1.030 314 V CA -0.501 61.684 62.300 -0.192 0.000 0.844 314 V CB 0.090 31.640 31.823 -0.454 0.000 1.015 314 V HN 0.606 nan 8.190 nan 0.000 0.460 315 H N 3.402 122.215 119.070 -0.429 0.000 2.524 315 H HA 0.884 5.456 4.556 0.026 0.000 0.353 315 H C 0.012 174.777 175.328 -0.937 0.000 1.136 315 H CA -0.542 55.118 56.048 -0.647 0.000 1.193 315 H CB 2.090 31.584 29.762 -0.446 0.000 1.558 315 H HN 0.734 nan 8.280 nan 0.000 0.515 316 G N 0.404 108.192 108.800 -1.687 0.000 3.016 316 G HA2 0.515 4.490 3.960 0.026 0.000 0.270 316 G HA3 0.515 4.490 3.960 0.026 0.000 0.270 316 G C -1.115 173.109 174.900 -1.126 0.000 1.352 316 G CA -0.588 43.578 45.100 -1.556 0.000 1.060 316 G HN 0.595 nan 8.290 nan 0.000 0.538 317 V N -1.473 118.175 119.914 -0.443 0.000 3.141 317 V HA 0.703 4.838 4.120 0.026 0.000 0.312 317 V C -1.139 175.004 176.094 0.081 0.000 1.157 317 V CA -0.985 61.176 62.300 -0.232 0.000 1.041 317 V CB 1.882 33.622 31.823 -0.138 0.000 1.071 317 V HN 0.601 nan 8.190 nan 0.000 0.441 318 Y N 1.354 121.837 120.300 0.305 0.000 2.282 318 Y HA 0.365 4.931 4.550 0.027 0.000 0.335 318 Y C -0.069 176.016 175.900 0.308 0.000 1.335 318 Y CA -0.127 58.150 58.100 0.296 0.000 1.529 318 Y CB 0.344 38.923 38.460 0.199 0.000 1.429 318 Y HN 0.630 nan 8.280 nan 0.000 0.563 319 Y N 0.952 121.468 120.300 0.361 0.000 2.310 319 Y HA 0.249 4.814 4.550 0.025 0.000 0.326 319 Y C -0.579 175.410 175.900 0.148 0.000 1.151 319 Y CA -0.792 57.453 58.100 0.241 0.000 1.195 319 Y CB 0.848 39.514 38.460 0.343 0.000 1.210 319 Y HN 0.546 nan 8.280 nan 0.000 0.483 320 D N 7.823 128.026 120.400 -0.328 0.000 2.454 320 D HA 0.298 4.954 4.640 0.026 0.000 0.247 320 D C -2.279 173.567 176.300 -0.757 0.000 1.129 320 D CA -2.631 51.123 54.000 -0.410 0.000 0.877 320 D CB 1.962 42.679 40.800 -0.139 0.000 1.082 320 D HN 0.309 nan 8.370 nan 0.000 0.537 321 P HA -0.080 nan 4.420 nan 0.000 0.229 321 P C 0.872 178.034 177.300 -0.231 0.000 1.150 321 P CA 0.788 63.547 63.100 -0.568 0.000 0.765 321 P CB 0.214 31.727 31.700 -0.312 0.000 0.783 322 S N -2.898 112.688 115.700 -0.190 0.000 2.575 322 S HA 0.163 4.648 4.470 0.026 0.000 0.215 322 S C 0.698 175.255 174.600 -0.072 0.000 0.966 322 S CA -0.137 58.005 58.200 -0.096 0.000 0.911 322 S CB -0.285 62.871 63.200 -0.074 0.000 0.780 322 S HN 0.024 nan 8.310 nan 0.000 0.514 323 K N 1.089 121.438 120.400 -0.085 0.000 2.295 323 K HA 0.417 4.752 4.320 0.026 0.000 0.239 323 K C -1.089 175.492 176.600 -0.032 0.000 0.991 323 K CA -0.853 55.406 56.287 -0.047 0.000 0.845 323 K CB 0.900 33.379 32.500 -0.036 0.000 1.197 323 K HN 0.107 nan 8.250 nan 0.000 0.441 324 D N 1.220 121.593 120.400 -0.045 0.000 2.357 324 D HA 0.170 4.826 4.640 0.026 0.000 0.242 324 D C -0.293 175.922 176.300 -0.141 0.000 1.153 324 D CA 0.090 54.043 54.000 -0.078 0.000 0.918 324 D CB 0.913 41.660 40.800 -0.087 0.000 1.181 324 D HN 0.146 nan 8.370 nan 0.000 0.435 325 L N 2.213 123.304 121.223 -0.220 0.000 2.296 325 L HA 0.455 4.810 4.340 0.026 0.000 0.286 325 L C -0.334 176.261 176.870 -0.459 0.000 1.023 325 L CA -0.524 54.080 54.840 -0.393 0.000 0.812 325 L CB 1.055 42.835 42.059 -0.465 0.000 1.223 325 L HN 0.171 nan 8.230 nan 0.000 0.421 326 I N 3.044 123.244 120.570 -0.616 0.000 2.608 326 I HA 0.616 4.802 4.170 0.026 0.000 0.295 326 I C -0.357 175.261 176.117 -0.831 0.000 1.049 326 I CA -0.518 60.355 61.300 -0.712 0.000 1.063 326 I CB 2.241 39.780 38.000 -0.767 0.000 1.248 326 I HN 0.585 nan 8.210 nan 0.000 0.424 327 A N 5.065 127.487 122.820 -0.663 0.000 2.343 327 A HA 0.668 5.004 4.320 0.026 0.000 0.308 327 A C -0.962 176.517 177.584 -0.176 0.000 1.092 327 A CA -0.473 51.280 52.037 -0.473 0.000 0.751 327 A CB 1.467 20.055 19.000 -0.687 0.000 1.203 327 A HN 0.747 nan 8.150 nan 0.000 0.452 328 E N 2.180 122.396 120.200 0.026 0.000 2.212 328 E HA 0.717 5.083 4.350 0.026 0.000 0.268 328 E C -1.397 175.317 176.600 0.189 0.000 0.902 328 E CA -0.497 55.989 56.400 0.142 0.000 0.779 328 E CB 1.382 31.214 29.700 0.219 0.000 1.172 328 E HN 0.640 nan 8.360 nan 0.000 0.409 329 I N 2.662 123.342 120.570 0.184 0.000 2.689 329 I HA 0.315 4.501 4.170 0.026 0.000 0.299 329 I C -0.885 175.360 176.117 0.214 0.000 1.059 329 I CA -0.878 60.556 61.300 0.222 0.000 1.055 329 I CB 2.143 40.259 38.000 0.195 0.000 1.243 329 I HN 0.453 nan 8.210 nan 0.000 0.425 330 Q N 3.660 123.604 119.800 0.241 0.000 2.397 330 Q HA 0.449 4.804 4.340 0.026 0.000 0.275 330 Q C -1.002 175.104 176.000 0.177 0.000 1.090 330 Q CA -0.869 55.039 55.803 0.174 0.000 0.809 330 Q CB 2.634 31.421 28.738 0.080 0.000 1.362 330 Q HN 0.317 nan 8.270 nan 0.000 0.431 331 K N 1.694 122.098 120.400 0.007 0.000 2.263 331 K HA 0.196 4.532 4.320 0.026 0.000 0.272 331 K C -0.099 176.349 176.600 -0.255 0.000 1.033 331 K CA -0.215 55.843 56.287 -0.383 0.000 0.884 331 K CB 0.742 32.931 32.500 -0.518 0.000 1.107 331 K HN 0.547 nan 8.250 nan 0.000 0.460 332 Q N 1.710 121.345 119.800 -0.274 0.000 2.392 332 Q HA 0.180 4.535 4.340 0.026 0.000 0.203 332 Q C 0.557 176.458 176.000 -0.164 0.000 0.917 332 Q CA 0.213 55.920 55.803 -0.160 0.000 0.939 332 Q CB 1.407 30.078 28.738 -0.112 0.000 1.063 332 Q HN 0.890 nan 8.270 nan 0.000 0.516 333 G N -0.052 108.600 108.800 -0.247 0.000 2.341 333 G HA2 0.069 4.045 3.960 0.026 0.000 0.299 333 G HA3 0.069 4.045 3.960 0.026 0.000 0.299 333 G C -1.727 173.025 174.900 -0.247 0.000 1.274 333 G CA -0.889 44.102 45.100 -0.181 0.000 0.853 333 G HN -0.002 nan 8.290 nan 0.000 0.493 334 Q N 0.080 119.787 119.800 -0.155 0.000 2.293 334 Q HA 0.436 4.791 4.340 0.026 0.000 0.263 334 Q C 1.203 177.130 176.000 -0.122 0.000 1.002 334 Q CA 1.047 56.772 55.803 -0.131 0.000 0.910 334 Q CB 0.356 29.046 28.738 -0.080 0.000 1.185 334 Q HN 2.205 nan 8.270 nan 0.000 0.401 335 G N 3.331 112.064 108.800 -0.111 0.000 2.153 335 G HA2 -0.301 3.675 3.960 0.026 0.000 0.252 335 G HA3 -0.301 3.675 3.960 0.026 0.000 0.252 335 G C -0.410 174.499 174.900 0.014 0.000 0.994 335 G CA 0.709 45.850 45.100 0.068 0.000 0.698 335 G HN 0.697 nan 8.290 nan 0.000 0.521 336 Q N -1.398 118.180 119.800 -0.369 0.000 2.271 336 Q HA 0.663 5.019 4.340 0.026 0.000 0.268 336 Q C -1.125 174.572 176.000 -0.505 0.000 1.021 336 Q CA -1.307 54.376 55.803 -0.201 0.000 0.802 336 Q CB 1.527 30.210 28.738 -0.092 0.000 1.282 336 Q HN 0.316 nan 8.270 nan 0.000 0.431 337 W N 1.124 122.475 121.300 0.086 0.000 2.882 337 W HA 0.681 5.358 4.660 0.029 0.000 0.345 337 W C -0.513 176.012 176.519 0.010 0.000 1.125 337 W CA -0.640 56.748 57.345 0.071 0.000 1.167 337 W CB 2.009 31.548 29.460 0.131 0.000 1.431 337 W HN 0.673 nan 8.180 nan 0.000 0.543 338 T N -0.590 114.089 114.554 0.209 0.000 2.893 338 T HA 0.798 5.163 4.350 0.026 0.000 0.291 338 T C -1.335 173.437 174.700 0.120 0.000 1.028 338 T CA -0.736 61.378 62.100 0.023 0.000 0.995 338 T CB 1.692 70.529 68.868 -0.051 0.000 1.051 338 T HN 0.554 nan 8.240 nan 0.000 0.470 339 Y N -0.125 120.157 120.300 -0.030 0.000 2.588 339 Y HA 0.780 5.345 4.550 0.024 0.000 0.343 339 Y C -1.278 174.614 175.900 -0.013 0.000 1.065 339 Y CA -1.312 56.788 58.100 0.000 0.000 1.038 339 Y CB 1.714 40.171 38.460 -0.005 0.000 1.297 339 Y HN 0.807 nan 8.280 nan 0.000 0.467 340 Q N 3.098 123.041 119.800 0.239 0.000 2.315 340 Q HA 0.588 4.944 4.340 0.026 0.000 0.273 340 Q C -1.745 174.400 176.000 0.242 0.000 1.053 340 Q CA -0.737 55.170 55.803 0.173 0.000 0.817 340 Q CB 2.952 31.749 28.738 0.097 0.000 1.326 340 Q HN 0.936 nan 8.270 nan 0.000 0.423 341 I N 3.378 124.056 120.570 0.180 0.000 2.378 341 I HA 0.575 4.760 4.170 0.026 0.000 0.291 341 I C -0.920 175.164 176.117 -0.054 0.000 0.992 341 I CA -1.028 60.231 61.300 -0.069 0.000 1.154 341 I CB 1.037 38.975 38.000 -0.103 0.000 1.315 341 I HN 0.712 nan 8.210 nan 0.000 0.448 342 Y N 3.031 123.225 120.300 -0.177 0.000 2.689 342 Y HA 0.522 5.086 4.550 0.024 0.000 0.333 342 Y C -0.174 175.625 175.900 -0.167 0.000 1.190 342 Y CA -0.883 57.122 58.100 -0.157 0.000 1.063 342 Y CB 1.050 39.438 38.460 -0.121 0.000 1.294 342 Y HN 0.435 nan 8.280 nan 0.000 0.466 343 Q N 0.039 119.893 119.800 0.090 0.000 2.619 343 Q HA 0.269 4.624 4.340 0.026 0.000 0.230 343 Q C -0.725 175.370 176.000 0.160 0.000 0.871 343 Q CA 0.103 55.926 55.803 0.033 0.000 0.934 343 Q CB 1.008 29.755 28.738 0.014 0.000 1.183 343 Q HN 0.736 nan 8.270 nan 0.000 0.631 344 E N 1.710 122.002 120.200 0.153 0.000 2.191 344 E HA 0.300 4.666 4.350 0.026 0.000 0.274 344 E C -2.585 174.052 176.600 0.062 0.000 0.948 344 E CA -2.280 54.184 56.400 0.106 0.000 0.802 344 E CB 1.541 31.277 29.700 0.060 0.000 1.137 344 E HN -0.053 nan 8.360 nan 0.000 0.397 345 P HA -0.070 nan 4.420 nan 0.000 0.266 345 P C -0.167 177.098 177.300 -0.058 0.000 1.195 345 P CA 0.404 63.363 63.100 -0.236 0.000 0.768 345 P CB 0.222 31.834 31.700 -0.146 0.000 0.838 346 F N 0.954 120.693 119.950 -0.351 0.000 2.518 346 F HA -0.268 4.273 4.527 0.024 0.000 0.648 346 F C -0.259 175.428 175.800 -0.188 0.000 0.494 346 F CA 1.269 59.130 58.000 -0.232 0.000 0.962 346 F CB -1.396 37.513 39.000 -0.152 0.000 1.777 346 F HN 0.170 nan 8.300 nan 0.000 0.262 347 K N 3.647 123.745 120.400 -0.504 0.000 2.083 347 K HA 0.204 4.540 4.320 0.026 0.000 0.246 347 K C -0.355 176.061 176.600 -0.306 0.000 1.160 347 K CA 0.118 56.084 56.287 -0.535 0.000 1.060 347 K CB -0.959 31.413 32.500 -0.214 0.000 1.417 347 K HN 0.334 nan 8.250 nan 0.000 0.329 348 N N 2.491 120.954 118.700 -0.395 0.000 2.497 348 N HA 0.086 4.842 4.740 0.026 0.000 0.271 348 N C 1.260 176.721 175.510 -0.080 0.000 1.142 348 N CA -0.083 52.863 53.050 -0.174 0.000 0.965 348 N CB 1.136 39.489 38.487 -0.224 0.000 1.077 348 N HN 0.283 nan 8.380 nan 0.000 0.462 349 L N 1.825 123.105 121.223 0.094 0.000 2.162 349 L HA 0.029 4.384 4.340 0.026 0.000 0.205 349 L C 0.846 177.999 176.870 0.472 0.000 1.086 349 L CA 0.961 55.972 54.840 0.286 0.000 0.778 349 L CB -0.030 42.169 42.059 0.233 0.000 0.928 349 L HN 0.627 nan 8.230 nan 0.000 0.446 350 K N -1.413 119.188 120.400 0.335 0.000 2.711 350 K HA 0.414 4.749 4.320 0.026 0.000 0.294 350 K C -1.011 175.681 176.600 0.153 0.000 1.037 350 K CA -0.706 55.793 56.287 0.353 0.000 0.858 350 K CB 1.446 34.230 32.500 0.473 0.000 1.521 350 K HN -0.115 nan 8.250 nan 0.000 0.386 351 T N -2.070 112.487 114.554 0.005 0.000 2.831 351 T HA 0.930 5.295 4.350 0.026 0.000 0.287 351 T C 0.041 174.377 174.700 -0.606 0.000 1.070 351 T CA -0.421 61.507 62.100 -0.287 0.000 1.010 351 T CB 1.778 70.481 68.868 -0.274 0.000 1.264 351 T HN 1.201 nan 8.240 nan 0.000 0.532 352 G N -0.125 107.989 108.800 -1.143 0.000 2.356 352 G HA2 0.588 4.563 3.960 0.026 0.000 0.294 352 G HA3 0.588 4.563 3.960 0.026 0.000 0.294 352 G C -2.136 172.173 174.900 -0.985 0.000 1.423 352 G CA -0.773 43.663 45.100 -1.107 0.000 0.806 352 G HN 1.030 nan 8.290 nan 0.000 0.527 353 K N -1.021 119.034 120.400 -0.575 0.000 2.546 353 K HA 0.735 5.070 4.320 0.026 0.000 0.264 353 K C -2.090 174.380 176.600 -0.216 0.000 0.937 353 K CA -1.033 55.055 56.287 -0.332 0.000 0.833 353 K CB 2.079 34.483 32.500 -0.159 0.000 1.378 353 K HN 0.419 nan 8.250 nan 0.000 0.432 354 Y N 0.577 121.011 120.300 0.224 0.000 2.429 354 Y HA 0.710 5.275 4.550 0.025 0.000 0.342 354 Y C 0.159 176.187 175.900 0.213 0.000 1.004 354 Y CA -0.648 57.585 58.100 0.221 0.000 1.075 354 Y CB 2.308 40.915 38.460 0.245 0.000 1.214 354 Y HN 0.931 nan 8.280 nan 0.000 0.455 355 A N 2.728 125.754 122.820 0.344 0.000 2.468 355 A HA 1.048 5.383 4.320 0.026 0.000 0.277 355 A C -0.875 176.824 177.584 0.193 0.000 1.203 355 A CA -0.744 51.422 52.037 0.216 0.000 0.932 355 A CB 1.714 20.800 19.000 0.144 0.000 1.438 355 A HN 0.891 nan 8.150 nan 0.000 0.468 356 R N -1.788 118.793 120.500 0.133 0.000 3.321 356 R HA 0.413 4.769 4.340 0.026 0.000 0.271 356 R C -1.362 174.985 176.300 0.079 0.000 0.994 356 R CA -0.318 55.846 56.100 0.106 0.000 0.920 356 R CB 0.117 30.499 30.300 0.137 0.000 1.271 356 R HN 1.045 nan 8.270 nan 0.000 0.531 357 M N 1.045 120.681 119.600 0.060 0.000 2.006 357 M HA 0.544 5.040 4.480 0.026 0.000 0.314 357 M C -0.758 175.568 176.300 0.042 0.000 0.926 357 M CA -0.525 54.802 55.300 0.046 0.000 0.906 357 M CB 1.283 33.905 32.600 0.036 0.000 1.422 357 M HN 0.674 nan 8.290 nan 0.000 0.397 358 R N 1.825 122.352 120.500 0.045 0.000 2.470 358 R HA -0.126 4.229 4.340 0.026 0.000 0.230 358 R C 0.629 176.956 176.300 0.045 0.000 0.785 358 R CA 1.188 57.317 56.100 0.047 0.000 0.566 358 R CB -2.347 27.974 30.300 0.036 0.000 1.388 358 R HN 1.018 nan 8.270 nan 0.000 0.534 359 G N 0.662 109.491 108.800 0.048 0.000 2.414 359 G HA2 0.260 4.235 3.960 0.026 0.000 0.236 359 G HA3 0.260 4.235 3.960 0.026 0.000 0.236 359 G C 1.379 176.281 174.900 0.003 0.000 1.293 359 G CA -0.130 44.982 45.100 0.020 0.000 0.869 359 G HN 0.618 nan 8.290 nan 0.000 0.556 360 A N 2.405 125.185 122.820 -0.067 0.000 2.030 360 A HA -0.128 4.208 4.320 0.026 0.000 0.226 360 A C 1.120 178.709 177.584 0.009 0.000 1.282 360 A CA 2.697 54.674 52.037 -0.100 0.000 0.691 360 A CB -0.807 18.009 19.000 -0.307 0.000 0.829 360 A HN 2.045 nan 8.150 nan 0.000 0.497 361 H N -5.133 114.015 119.070 0.130 0.000 3.179 361 H HA 0.508 5.079 4.556 0.025 0.000 0.301 361 H C -0.507 174.938 175.328 0.196 0.000 1.382 361 H CA -0.416 55.731 56.048 0.165 0.000 1.605 361 H CB -0.362 29.518 29.762 0.197 0.000 2.343 361 H HN 0.389 nan 8.280 nan 0.000 0.372 362 T N 0.644 115.381 114.554 0.305 0.000 2.572 362 T HA 0.718 5.084 4.350 0.026 0.000 0.274 362 T C -0.682 174.163 174.700 0.241 0.000 0.949 362 T CA -0.560 61.708 62.100 0.281 0.000 1.126 362 T CB 1.555 70.538 68.868 0.191 0.000 1.478 362 T HN 0.948 nan 8.240 nan 0.000 0.492 363 N N -1.416 117.386 118.700 0.170 0.000 2.708 363 N HA 0.392 5.147 4.740 0.026 0.000 0.257 363 N C -0.460 175.091 175.510 0.067 0.000 1.373 363 N CA -0.746 52.384 53.050 0.133 0.000 0.843 363 N CB 0.664 39.217 38.487 0.111 0.000 1.503 363 N HN 0.394 nan 8.380 nan 0.000 0.504 364 D N -0.099 120.389 120.400 0.147 0.000 2.182 364 D HA -0.085 4.570 4.640 0.026 0.000 0.201 364 D C 1.525 177.825 176.300 0.000 0.000 0.986 364 D CA 1.044 55.181 54.000 0.228 0.000 0.847 364 D CB 0.048 41.050 40.800 0.337 0.000 0.942 364 D HN 0.378 nan 8.370 nan 0.000 0.467 365 V N 0.774 120.491 119.914 -0.330 0.000 2.379 365 V HA -0.202 3.933 4.120 0.026 0.000 0.245 365 V C 2.354 177.969 176.094 -0.798 0.000 1.044 365 V CA 1.270 63.172 62.300 -0.664 0.000 1.036 365 V CB -0.355 30.757 31.823 -1.184 0.000 0.664 365 V HN 0.060 nan 8.190 nan 0.000 0.453 366 K N 0.785 120.700 120.400 -0.809 0.000 2.001 366 K HA -0.239 4.096 4.320 0.026 0.000 0.214 366 K C 2.206 178.622 176.600 -0.308 0.000 1.050 366 K CA 1.940 57.947 56.287 -0.467 0.000 0.934 366 K CB -0.650 31.767 32.500 -0.139 0.000 0.718 366 K HN 0.460 nan 8.250 nan 0.000 0.443 367 Q N -0.216 119.456 119.800 -0.213 0.000 2.077 367 Q HA -0.169 4.186 4.340 0.026 0.000 0.206 367 Q C 2.006 177.621 176.000 -0.642 0.000 0.989 367 Q CA 1.679 57.349 55.803 -0.222 0.000 0.853 367 Q CB -0.292 28.524 28.738 0.131 0.000 0.907 367 Q HN 0.402 nan 8.270 nan 0.000 0.418 368 L N 0.439 121.183 121.223 -0.797 0.000 2.042 368 L HA -0.219 4.137 4.340 0.026 0.000 0.210 368 L C 2.038 178.442 176.870 -0.776 0.000 1.076 368 L CA 1.874 56.053 54.840 -1.101 0.000 0.749 368 L CB -0.861 40.763 42.059 -0.725 0.000 0.893 368 L HN 0.302 nan 8.230 nan 0.000 0.432 369 T N 0.141 114.345 114.554 -0.583 0.000 2.699 369 T HA -0.244 4.121 4.350 0.026 0.000 0.268 369 T C 1.659 176.111 174.700 -0.414 0.000 1.036 369 T CA 1.985 63.809 62.100 -0.461 0.000 1.147 369 T CB -0.123 68.607 68.868 -0.230 0.000 0.862 369 T HN 0.480 nan 8.240 nan 0.000 0.446 370 E N 0.404 120.379 120.200 -0.375 0.000 2.152 370 E HA 0.039 4.404 4.350 0.026 0.000 0.192 370 E C 2.468 178.825 176.600 -0.405 0.000 0.983 370 E CA 0.712 56.918 56.400 -0.323 0.000 0.818 370 E CB -0.127 29.422 29.700 -0.251 0.000 0.758 370 E HN 0.470 nan 8.360 nan 0.000 0.467 371 A N 0.882 123.401 122.820 -0.502 0.000 1.873 371 A HA -0.132 4.203 4.320 0.026 0.000 0.215 371 A C 2.478 179.878 177.584 -0.307 0.000 1.186 371 A CA 0.998 52.803 52.037 -0.387 0.000 0.616 371 A CB -0.687 18.035 19.000 -0.463 0.000 0.823 371 A HN 0.108 nan 8.150 nan 0.000 0.442 372 V N 1.083 120.716 119.914 -0.468 0.000 2.282 372 V HA -0.367 3.768 4.120 0.026 0.000 0.249 372 V C 2.896 178.742 176.094 -0.414 0.000 1.057 372 V CA 2.629 64.570 62.300 -0.599 0.000 1.032 372 V CB -1.008 30.243 31.823 -0.953 0.000 0.645 372 V HN 0.926 nan 8.190 nan 0.000 0.447 373 Q N 0.624 120.218 119.800 -0.343 0.000 2.172 373 Q HA -0.188 4.167 4.340 0.026 0.000 0.200 373 Q C 1.968 177.878 176.000 -0.149 0.000 0.964 373 Q CA 1.974 57.651 55.803 -0.209 0.000 0.855 373 Q CB -0.493 28.144 28.738 -0.167 0.000 0.918 373 Q HN 0.468 nan 8.270 nan 0.000 0.444 374 K N 0.598 120.874 120.400 -0.207 0.000 2.057 374 K HA -0.026 4.310 4.320 0.026 0.000 0.207 374 K C 1.833 178.390 176.600 -0.072 0.000 1.049 374 K CA 1.705 57.875 56.287 -0.195 0.000 0.931 374 K CB -0.236 31.985 32.500 -0.465 0.000 0.714 374 K HN 0.353 nan 8.250 nan 0.000 0.440 375 I N -0.009 120.528 120.570 -0.055 0.000 2.142 375 I HA -0.304 3.881 4.170 0.026 0.000 0.240 375 I C 1.975 178.105 176.117 0.021 0.000 1.078 375 I CA 1.542 62.799 61.300 -0.073 0.000 1.343 375 I CB -0.633 37.312 38.000 -0.091 0.000 1.046 375 I HN 0.213 nan 8.210 nan 0.000 0.405 376 T N 0.320 114.929 114.554 0.092 0.000 2.685 376 T HA -0.219 4.146 4.350 0.026 0.000 0.268 376 T C 1.869 176.600 174.700 0.052 0.000 1.034 376 T CA 2.241 64.409 62.100 0.113 0.000 1.149 376 T CB -0.457 68.462 68.868 0.084 0.000 0.860 376 T HN 0.408 nan 8.240 nan 0.000 0.449 377 T N 2.099 116.660 114.554 0.011 0.000 2.701 377 T HA -0.122 4.243 4.350 0.026 0.000 0.263 377 T C 2.057 176.749 174.700 -0.013 0.000 1.040 377 T CA 1.626 63.725 62.100 -0.001 0.000 1.147 377 T CB -0.381 68.474 68.868 -0.021 0.000 0.865 377 T HN 0.780 nan 8.240 nan 0.000 0.426 378 E N 1.414 121.600 120.200 -0.024 0.000 2.204 378 E HA -0.113 4.253 4.350 0.026 0.000 0.195 378 E C 2.085 178.628 176.600 -0.096 0.000 0.990 378 E CA 1.444 57.803 56.400 -0.068 0.000 0.821 378 E CB -0.328 29.335 29.700 -0.061 0.000 0.750 378 E HN 0.324 nan 8.360 nan 0.000 0.477 379 S N 1.150 116.869 115.700 0.032 0.000 2.355 379 S HA -0.055 4.431 4.470 0.026 0.000 0.222 379 S C 1.982 176.646 174.600 0.106 0.000 1.031 379 S CA 1.112 59.437 58.200 0.208 0.000 0.993 379 S CB -0.263 63.098 63.200 0.267 0.000 0.859 379 S HN 0.265 nan 8.310 nan 0.000 0.453 380 I N 1.434 122.037 120.570 0.055 0.000 2.423 380 I HA -0.139 4.046 4.170 0.026 0.000 0.254 380 I C 2.017 178.121 176.117 -0.021 0.000 1.151 380 I CA 0.782 62.103 61.300 0.036 0.000 1.421 380 I CB -0.373 37.647 38.000 0.034 0.000 1.079 380 I HN 0.156 nan 8.210 nan 0.000 0.431 381 V N 0.828 120.698 119.914 -0.075 0.000 2.407 381 V HA -0.195 3.941 4.120 0.026 0.000 0.245 381 V C 2.137 178.103 176.094 -0.214 0.000 1.041 381 V CA 1.668 63.897 62.300 -0.118 0.000 1.040 381 V CB -0.195 31.553 31.823 -0.125 0.000 0.671 381 V HN 0.320 nan 8.190 nan 0.000 0.455 382 I N -1.882 118.452 120.570 -0.394 0.000 2.703 382 I HA -0.078 4.107 4.170 0.026 0.000 0.259 382 I C 1.841 177.476 176.117 -0.803 0.000 1.151 382 I CA 1.130 61.979 61.300 -0.751 0.000 1.470 382 I CB -0.072 37.104 38.000 -1.373 0.000 1.112 382 I HN 0.387 nan 8.210 nan 0.000 0.437 383 W N 0.196 121.392 121.300 -0.174 0.000 2.714 383 W HA 0.384 5.059 4.660 0.026 0.000 0.353 383 W C 1.455 177.914 176.519 -0.100 0.000 0.999 383 W CA 0.513 57.709 57.345 -0.250 0.000 1.629 383 W CB 0.026 29.199 29.460 -0.478 0.000 1.106 383 W HN 0.286 nan 8.180 nan 0.000 0.545 384 G N 2.270 111.133 108.800 0.105 0.000 2.184 384 G HA2 -0.324 3.651 3.960 0.026 0.000 0.264 384 G HA3 -0.324 3.651 3.960 0.026 0.000 0.264 384 G C 0.218 175.179 174.900 0.103 0.000 0.975 384 G CA 1.122 46.279 45.100 0.094 0.000 0.642 384 G HN 0.365 nan 8.290 nan 0.000 0.536 385 K N -1.174 119.299 120.400 0.122 0.000 2.555 385 K HA 0.707 5.042 4.320 0.026 0.000 0.279 385 K C -0.353 176.287 176.600 0.066 0.000 0.986 385 K CA -0.398 55.940 56.287 0.086 0.000 0.880 385 K CB 1.079 33.622 32.500 0.072 0.000 1.474 385 K HN 0.544 nan 8.250 nan 0.000 0.433 386 T N -0.432 114.146 114.554 0.040 0.000 2.909 386 T HA 0.537 4.903 4.350 0.026 0.000 0.286 386 T C -2.309 172.326 174.700 -0.109 0.000 1.002 386 T CA -1.435 60.673 62.100 0.014 0.000 1.074 386 T CB 0.869 69.789 68.868 0.087 0.000 0.984 386 T HN 0.401 nan 8.240 nan 0.000 0.495 387 P HA 0.373 nan 4.420 nan 0.000 0.278 387 P C -0.663 176.316 177.300 -0.535 0.000 1.266 387 P CA -0.856 61.936 63.100 -0.513 0.000 0.807 387 P CB 0.488 31.725 31.700 -0.771 0.000 1.094 388 K N 1.140 121.279 120.400 -0.435 0.000 2.205 388 K HA 0.380 4.715 4.320 0.026 0.000 0.279 388 K C -0.354 176.025 176.600 -0.367 0.000 1.027 388 K CA -0.062 56.078 56.287 -0.244 0.000 0.932 388 K CB 0.196 32.598 32.500 -0.162 0.000 1.032 388 K HN 0.377 nan 8.250 nan 0.000 0.466 389 F N 1.157 121.070 119.950 -0.062 0.000 2.425 389 F HA 0.282 4.822 4.527 0.023 0.000 0.331 389 F C 0.559 176.386 175.800 0.045 0.000 1.085 389 F CA -0.731 57.241 58.000 -0.048 0.000 1.028 389 F CB 1.351 40.291 39.000 -0.099 0.000 1.177 389 F HN 0.165 nan 8.300 nan 0.000 0.487 390 K N 3.684 124.206 120.400 0.203 0.000 2.527 390 K HA 0.507 4.842 4.320 0.026 0.000 0.240 390 K C -1.389 175.322 176.600 0.184 0.000 0.989 390 K CA -0.020 56.369 56.287 0.170 0.000 0.985 390 K CB 0.607 33.164 32.500 0.094 0.000 1.221 390 K HN 0.466 nan 8.250 nan 0.000 0.458 391 L N 3.939 125.308 121.223 0.244 0.000 2.334 391 L HA 0.597 4.952 4.340 0.026 0.000 0.273 391 L C -1.810 175.198 176.870 0.229 0.000 1.013 391 L CA -2.136 52.781 54.840 0.128 0.000 0.816 391 L CB 1.865 43.819 42.059 -0.176 0.000 1.278 391 L HN 0.375 nan 8.230 nan 0.000 0.431 392 P HA 0.205 nan 4.420 nan 0.000 0.218 392 P C -0.636 176.868 177.300 0.340 0.000 1.793 392 P CA 0.391 63.651 63.100 0.266 0.000 0.941 392 P CB 0.305 32.114 31.700 0.181 0.000 1.919 393 I N -0.411 120.432 120.570 0.455 0.000 2.752 393 I HA 0.241 4.426 4.170 0.026 0.000 0.295 393 I C -0.647 175.573 176.117 0.173 0.000 1.219 393 I CA -0.957 60.481 61.300 0.229 0.000 1.030 393 I CB 2.794 40.807 38.000 0.021 0.000 1.259 393 I HN -0.171 nan 8.210 nan 0.000 0.423 394 Q N 5.518 125.224 119.800 -0.155 0.000 2.332 394 Q HA 0.143 4.498 4.340 0.026 0.000 0.263 394 Q C 0.361 176.429 176.000 0.115 0.000 0.979 394 Q CA 0.044 55.635 55.803 -0.353 0.000 0.885 394 Q CB 1.395 29.948 28.738 -0.308 0.000 1.218 394 Q HN 0.591 nan 8.270 nan 0.000 0.405 395 K N 1.939 122.409 120.400 0.116 0.000 2.442 395 K HA -0.157 4.178 4.320 0.026 0.000 0.198 395 K C 1.094 177.873 176.600 0.297 0.000 1.042 395 K CA 0.991 57.464 56.287 0.309 0.000 0.958 395 K CB 0.406 32.928 32.500 0.037 0.000 0.766 395 K HN 0.476 nan 8.250 nan 0.000 0.474 396 E N -0.461 119.822 120.200 0.138 0.000 2.076 396 E HA -0.068 4.297 4.350 0.026 0.000 0.190 396 E C 1.881 178.561 176.600 0.133 0.000 0.979 396 E CA 1.234 57.697 56.400 0.105 0.000 0.807 396 E CB -0.142 29.573 29.700 0.025 0.000 0.761 396 E HN 0.121 nan 8.360 nan 0.000 0.454 397 T N 1.115 115.745 114.554 0.127 0.000 2.652 397 T HA -0.207 4.159 4.350 0.026 0.000 0.267 397 T C 1.341 176.196 174.700 0.258 0.000 1.039 397 T CA 1.316 63.494 62.100 0.130 0.000 1.153 397 T CB -0.502 68.406 68.868 0.067 0.000 0.863 397 T HN 0.413 nan 8.240 nan 0.000 0.428 398 W N 2.248 123.660 121.300 0.186 0.000 2.332 398 W HA -0.243 4.431 4.660 0.022 0.000 0.321 398 W C 2.242 179.027 176.519 0.443 0.000 1.219 398 W CA 1.888 59.412 57.345 0.298 0.000 1.277 398 W CB -0.452 29.221 29.460 0.356 0.000 1.161 398 W HN 0.292 nan 8.180 nan 0.000 0.476 399 E N 0.223 120.569 120.200 0.243 0.000 2.114 399 E HA -0.241 4.125 4.350 0.026 0.000 0.199 399 E C 2.104 178.623 176.600 -0.135 0.000 1.008 399 E CA 3.205 59.648 56.400 0.070 0.000 0.810 399 E CB -0.662 29.145 29.700 0.177 0.000 0.739 399 E HN 0.102 nan 8.360 nan 0.000 0.456 400 T N -0.426 114.117 114.554 -0.017 0.000 2.746 400 T HA -0.160 4.206 4.350 0.026 0.000 0.267 400 T C 1.046 175.716 174.700 -0.050 0.000 1.039 400 T CA 1.387 63.461 62.100 -0.043 0.000 1.142 400 T CB -0.464 68.419 68.868 0.025 0.000 0.866 400 T HN 0.422 nan 8.240 nan 0.000 0.444 401 W N 0.683 121.881 121.300 -0.170 0.000 2.424 401 W HA -0.034 4.645 4.660 0.031 0.000 0.323 401 W C 2.164 178.553 176.519 -0.216 0.000 1.175 401 W CA 1.106 58.353 57.345 -0.163 0.000 1.312 401 W CB -1.010 28.372 29.460 -0.130 0.000 1.186 401 W HN 0.358 nan 8.180 nan 0.000 0.463 402 W N 1.841 122.836 121.300 -0.509 0.000 2.280 402 W HA -0.360 4.313 4.660 0.023 0.000 0.332 402 W C 2.125 178.331 176.519 -0.522 0.000 1.300 402 W CA 3.650 60.532 57.345 -0.772 0.000 1.274 402 W CB -1.406 27.354 29.460 -1.167 0.000 1.141 402 W HN -0.102 nan 8.180 nan 0.000 0.474 403 T N 1.165 115.014 114.554 -1.176 0.000 2.714 403 T HA -0.255 4.110 4.350 0.026 0.000 0.268 403 T C 1.328 175.678 174.700 -0.583 0.000 1.036 403 T CA 2.211 63.631 62.100 -1.134 0.000 1.148 403 T CB -0.262 68.068 68.868 -0.897 0.000 0.856 403 T HN 0.335 nan 8.240 nan 0.000 0.462 404 E N -0.834 119.099 120.200 -0.444 0.000 2.473 404 E HA 0.126 4.492 4.350 0.026 0.000 0.204 404 E C 0.202 176.649 176.600 -0.255 0.000 0.994 404 E CA -0.226 56.003 56.400 -0.286 0.000 0.945 404 E CB -0.065 29.515 29.700 -0.199 0.000 0.990 404 E HN 0.507 nan 8.360 nan 0.000 0.493 405 Y N 2.876 122.825 120.300 -0.586 0.000 2.702 405 Y HA -0.158 4.409 4.550 0.028 0.000 0.336 405 Y C 1.486 177.172 175.900 -0.357 0.000 1.235 405 Y CA -0.397 57.333 58.100 -0.618 0.000 1.492 405 Y CB 0.421 38.145 38.460 -1.226 0.000 1.308 405 Y HN 0.148 nan 8.280 nan 0.000 0.589 406 W N 4.397 125.236 121.300 -0.768 0.000 2.525 406 W HA -0.018 4.657 4.660 0.025 0.000 0.259 406 W C -0.468 175.807 176.519 -0.406 0.000 1.253 406 W CA 0.433 57.473 57.345 -0.508 0.000 1.262 406 W CB -0.284 28.898 29.460 -0.462 0.000 1.122 406 W HN 0.566 nan 8.180 nan 0.000 0.607 407 Q N 1.418 120.260 119.800 -1.597 0.000 2.312 407 Q HA 0.524 4.879 4.340 0.026 0.000 0.263 407 Q C -0.199 175.552 176.000 -0.414 0.000 0.995 407 Q CA -0.533 54.550 55.803 -1.201 0.000 0.853 407 Q CB 2.163 29.822 28.738 -1.799 0.000 1.300 407 Q HN 0.026 nan 8.270 nan 0.000 0.448 408 A N 2.753 125.436 122.820 -0.227 0.000 2.561 408 A HA 0.318 4.654 4.320 0.026 0.000 0.234 408 A C 0.048 177.648 177.584 0.026 0.000 1.055 408 A CA 0.857 52.865 52.037 -0.048 0.000 0.756 408 A CB 0.417 19.397 19.000 -0.034 0.000 0.986 408 A HN 0.729 nan 8.150 nan 0.000 0.505 409 T N 0.837 115.464 114.554 0.122 0.000 2.802 409 T HA 0.552 4.917 4.350 0.026 0.000 0.311 409 T C -2.016 172.855 174.700 0.285 0.000 1.405 409 T CA -0.249 61.976 62.100 0.208 0.000 1.016 409 T CB 0.778 69.834 68.868 0.314 0.000 1.352 409 T HN 1.383 nan 8.240 nan 0.000 0.498 410 W N 2.811 124.140 121.300 0.048 0.000 3.161 410 W HA 0.720 5.398 4.660 0.029 0.000 0.314 410 W C -2.564 173.842 176.519 -0.187 0.000 1.245 410 W CA -0.942 56.377 57.345 -0.043 0.000 1.191 410 W CB 0.954 30.352 29.460 -0.104 0.000 1.392 410 W HN 0.698 nan 8.180 nan 0.000 0.568 411 I N 5.187 125.082 120.570 -1.125 0.000 2.512 411 I HA 0.291 4.476 4.170 0.026 0.000 0.287 411 I C -2.051 173.071 176.117 -1.660 0.000 1.069 411 I CA -2.032 58.459 61.300 -1.347 0.000 1.056 411 I CB 2.040 39.121 38.000 -1.532 0.000 1.229 411 I HN 0.061 nan 8.210 nan 0.000 0.429 412 P HA -0.017 nan 4.420 nan 0.000 0.272 412 P C -0.343 176.765 177.300 -0.319 0.000 1.254 412 P CA -0.405 62.075 63.100 -1.033 0.000 0.795 412 P CB 0.424 31.857 31.700 -0.445 0.000 1.022 413 E N 1.149 121.312 120.200 -0.061 0.000 2.820 413 E HA -0.070 4.295 4.350 0.026 0.000 0.251 413 E C -0.775 175.937 176.600 0.186 0.000 0.944 413 E CA 0.337 56.767 56.400 0.050 0.000 0.955 413 E CB 0.030 29.756 29.700 0.043 0.000 0.904 413 E HN 0.338 nan 8.360 nan 0.000 0.513 414 W N 2.942 124.180 121.300 -0.104 0.000 3.018 414 W HA 0.535 5.207 4.660 0.020 0.000 0.352 414 W C -1.297 175.200 176.519 -0.036 0.000 1.230 414 W CA -0.898 56.412 57.345 -0.058 0.000 1.162 414 W CB 0.379 29.756 29.460 -0.138 0.000 1.483 414 W HN 0.460 nan 8.180 nan 0.000 0.584 415 E N 0.540 120.810 120.200 0.117 0.000 2.433 415 E HA 0.519 4.884 4.350 0.026 0.000 0.273 415 E C -1.894 174.877 176.600 0.286 0.000 0.950 415 E CA -0.992 55.382 56.400 -0.044 0.000 0.796 415 E CB 3.013 32.713 29.700 -0.001 0.000 1.330 415 E HN 0.211 nan 8.360 nan 0.000 0.455 416 F N 1.572 121.549 119.950 0.044 0.000 2.404 416 F HA 0.468 5.000 4.527 0.008 0.000 0.345 416 F C -0.957 174.917 175.800 0.122 0.000 1.110 416 F CA -0.980 57.131 58.000 0.185 0.000 1.130 416 F CB 1.275 40.349 39.000 0.125 0.000 1.129 416 F HN 0.174 nan 8.300 nan 0.000 0.500 417 V N 7.663 127.229 119.914 -0.579 0.000 2.376 417 V HA 0.285 4.420 4.120 0.026 0.000 0.287 417 V C -0.159 175.402 176.094 -0.889 0.000 1.015 417 V CA -0.731 61.218 62.300 -0.584 0.000 0.834 417 V CB 1.067 32.789 31.823 -0.168 0.000 1.001 417 V HN 0.841 nan 8.190 nan 0.000 0.428 418 N N 4.594 122.717 118.700 -0.963 0.000 3.167 418 N HA 0.041 4.797 4.740 0.026 0.000 0.318 418 N C -0.117 175.301 175.510 -0.153 0.000 1.268 418 N CA 0.136 52.884 53.050 -0.502 0.000 1.197 418 N CB -0.114 38.249 38.487 -0.206 0.000 1.464 418 N HN 0.731 nan 8.380 nan 0.000 0.555 419 T N 2.234 116.722 114.554 -0.110 0.000 2.801 419 T HA 0.334 4.700 4.350 0.026 0.000 0.306 419 T C -2.399 172.317 174.700 0.026 0.000 1.020 419 T CA -1.275 60.808 62.100 -0.030 0.000 0.948 419 T CB 1.633 70.487 68.868 -0.025 0.000 0.962 419 T HN 0.196 nan 8.240 nan 0.000 0.465 420 P HA 0.212 nan 4.420 nan 0.000 0.269 420 P C -2.181 175.137 177.300 0.030 0.000 1.215 420 P CA -1.060 62.067 63.100 0.044 0.000 0.780 420 P CB -0.166 31.555 31.700 0.036 0.000 0.898 421 P HA 0.243 nan 4.420 nan 0.000 0.284 421 P C -0.774 176.560 177.300 0.056 0.000 1.253 421 P CA -0.200 62.922 63.100 0.037 0.000 0.800 421 P CB 0.835 32.552 31.700 0.029 0.000 0.961 422 L N 2.041 123.305 121.223 0.069 0.000 2.417 422 L HA 0.246 4.601 4.340 0.026 0.000 0.268 422 L C 0.573 177.461 176.870 0.029 0.000 1.158 422 L CA -1.024 53.878 54.840 0.103 0.000 0.819 422 L CB 0.708 42.851 42.059 0.140 0.000 1.112 422 L HN 0.145 nan 8.230 nan 0.000 0.458 423 V N 2.967 122.917 119.914 0.060 0.000 2.614 423 V HA 0.265 4.400 4.120 0.026 0.000 0.291 423 V C 0.222 176.258 176.094 -0.097 0.000 1.049 423 V CA -0.219 62.093 62.300 0.020 0.000 1.038 423 V CB 0.924 32.816 31.823 0.114 0.000 0.980 423 V HN 0.883 nan 8.190 nan 0.000 0.481 424 K N 4.062 124.311 120.400 -0.252 0.000 2.499 424 K HA 0.680 5.015 4.320 0.026 0.000 0.277 424 K C -1.628 174.707 176.600 -0.442 0.000 1.025 424 K CA -1.100 54.987 56.287 -0.333 0.000 0.900 424 K CB 1.721 33.979 32.500 -0.404 0.000 1.494 424 K HN 0.366 nan 8.250 nan 0.000 0.442 425 L N 2.084 123.125 121.223 -0.304 0.000 2.290 425 L HA 0.258 4.613 4.340 0.026 0.000 0.284 425 L C 0.172 176.898 176.870 -0.240 0.000 1.078 425 L CA -0.677 54.043 54.840 -0.200 0.000 0.815 425 L CB 0.365 42.385 42.059 -0.066 0.000 1.162 425 L HN 0.716 nan 8.230 nan 0.000 0.435 426 W N 2.896 124.199 121.300 0.004 0.000 2.467 426 W HA -0.035 4.640 4.660 0.024 0.000 0.275 426 W C 0.288 176.924 176.519 0.195 0.000 1.239 426 W CA 0.150 57.557 57.345 0.103 0.000 1.266 426 W CB -0.060 29.502 29.460 0.170 0.000 1.112 426 W HN 0.510 nan 8.180 nan 0.000 0.576 427 Y N -2.682 117.772 120.300 0.256 0.000 2.677 427 Y HA 0.560 5.124 4.550 0.024 0.000 0.334 427 Y C -1.298 174.694 175.900 0.155 0.000 1.196 427 Y CA -2.160 56.046 58.100 0.176 0.000 1.059 427 Y CB 0.468 39.029 38.460 0.170 0.000 1.315 427 Y HN -0.157 nan 8.280 nan 0.000 0.455 428 Q N 2.800 122.739 119.800 0.231 0.000 2.263 428 Q HA 0.501 4.856 4.340 0.026 0.000 0.266 428 Q C -1.343 174.806 176.000 0.248 0.000 1.002 428 Q CA -0.871 55.016 55.803 0.140 0.000 0.790 428 Q CB 3.133 31.921 28.738 0.084 0.000 1.272 428 Q HN 0.707 nan 8.270 nan 0.000 0.435 429 L N 1.674 123.052 121.223 0.259 0.000 2.467 429 L HA 0.150 4.505 4.340 0.026 0.000 0.270 429 L C 0.672 177.661 176.870 0.199 0.000 1.205 429 L CA -0.159 54.822 54.840 0.236 0.000 0.828 429 L CB 0.277 42.459 42.059 0.205 0.000 1.101 429 L HN 0.457 nan 8.230 nan 0.000 0.479 430 E N 1.883 122.226 120.200 0.238 0.000 2.354 430 E HA 0.057 4.422 4.350 0.026 0.000 0.269 430 E C 0.534 177.308 176.600 0.289 0.000 1.036 430 E CA -0.257 56.274 56.400 0.218 0.000 0.876 430 E CB 1.106 30.924 29.700 0.197 0.000 1.009 430 E HN 0.344 nan 8.360 nan 0.000 0.416 431 K N 1.242 121.722 120.400 0.135 0.000 2.167 431 K HA 0.025 4.361 4.320 0.026 0.000 0.203 431 K C 0.436 177.045 176.600 0.016 0.000 1.052 431 K CA 0.929 57.286 56.287 0.116 0.000 0.956 431 K CB 0.362 32.886 32.500 0.040 0.000 0.735 431 K HN 0.399 nan 8.250 nan 0.000 0.451 432 E N 0.170 120.234 120.200 -0.228 0.000 2.320 432 E HA 0.333 4.698 4.350 0.026 0.000 0.264 432 E C -2.602 173.390 176.600 -1.015 0.000 0.923 432 E CA -2.483 53.588 56.400 -0.549 0.000 0.796 432 E CB 1.780 31.321 29.700 -0.265 0.000 1.262 432 E HN -0.122 nan 8.360 nan 0.000 0.428 433 P HA 0.194 nan 4.420 nan 0.000 0.271 433 P C 0.005 177.139 177.300 -0.277 0.000 1.216 433 P CA 0.021 62.687 63.100 -0.723 0.000 0.771 433 P CB 0.398 31.892 31.700 -0.345 0.000 0.864 434 I N 3.747 124.250 120.570 -0.111 0.000 2.494 434 I HA -0.072 4.113 4.170 0.026 0.000 0.289 434 I C 2.229 178.327 176.117 -0.031 0.000 1.106 434 I CA 0.047 61.323 61.300 -0.041 0.000 1.369 434 I CB 0.585 38.597 38.000 0.019 0.000 1.410 434 I HN 0.198 nan 8.210 nan 0.000 0.523 435 V N 6.981 126.871 119.914 -0.040 0.000 2.252 435 V HA -0.249 3.886 4.120 0.026 0.000 0.249 435 V C 2.024 178.113 176.094 -0.009 0.000 1.056 435 V CA 2.683 64.967 62.300 -0.027 0.000 1.022 435 V CB -0.444 31.362 31.823 -0.028 0.000 0.641 435 V HN 0.994 nan 8.190 nan 0.000 0.445 436 G N -1.377 107.421 108.800 -0.003 0.000 3.042 436 G HA2 0.449 4.424 3.960 0.026 0.000 0.212 436 G HA3 0.449 4.424 3.960 0.026 0.000 0.212 436 G C 0.466 175.373 174.900 0.011 0.000 1.166 436 G CA 0.507 45.609 45.100 0.003 0.000 0.767 436 G HN 0.862 nan 8.290 nan 0.000 0.546 437 A N 0.053 122.884 122.820 0.017 0.000 2.304 437 A HA 0.559 4.895 4.320 0.026 0.000 0.271 437 A C 0.242 177.848 177.584 0.037 0.000 1.091 437 A CA -0.467 51.590 52.037 0.034 0.000 0.812 437 A CB 0.604 19.631 19.000 0.046 0.000 1.056 437 A HN 0.307 nan 8.150 nan 0.000 0.489 438 E N 0.059 120.292 120.200 0.055 0.000 2.383 438 E HA 0.288 4.654 4.350 0.026 0.000 0.264 438 E C -0.763 175.871 176.600 0.057 0.000 1.050 438 E CA -0.003 56.411 56.400 0.024 0.000 0.896 438 E CB 0.537 30.247 29.700 0.016 0.000 0.982 438 E HN 0.527 nan 8.360 nan 0.000 0.424 439 T N 4.532 119.072 114.554 -0.023 0.000 2.756 439 T HA 0.308 4.674 4.350 0.026 0.000 0.290 439 T C -0.962 173.678 174.700 -0.101 0.000 0.985 439 T CA -0.353 61.724 62.100 -0.038 0.000 0.955 439 T CB -0.026 68.800 68.868 -0.070 0.000 0.930 439 T HN 0.236 nan 8.240 nan 0.000 0.451 440 F N 2.903 122.739 119.950 -0.189 0.000 2.405 440 F HA 0.403 4.946 4.527 0.027 0.000 0.355 440 F C -0.121 175.578 175.800 -0.169 0.000 1.121 440 F CA -0.983 56.927 58.000 -0.150 0.000 1.112 440 F CB 0.741 39.598 39.000 -0.239 0.000 1.126 440 F HN 0.525 nan 8.300 nan 0.000 0.481 441 Y N 3.679 124.063 120.300 0.140 0.000 2.454 441 Y HA 0.457 5.023 4.550 0.026 0.000 0.345 441 Y C 0.122 176.121 175.900 0.165 0.000 0.970 441 Y CA -0.952 57.211 58.100 0.105 0.000 1.204 441 Y CB 0.755 39.244 38.460 0.048 0.000 1.122 441 Y HN 0.354 nan 8.280 nan 0.000 0.514 442 V N -0.072 119.981 119.914 0.232 0.000 2.834 442 V HA 0.813 4.949 4.120 0.026 0.000 0.313 442 V C -0.733 175.445 176.094 0.140 0.000 1.060 442 V CA -0.668 61.761 62.300 0.216 0.000 0.989 442 V CB 2.062 33.980 31.823 0.159 0.000 1.041 442 V HN 0.661 nan 8.190 nan 0.000 0.459 443 D N 0.474 120.944 120.400 0.118 0.000 2.745 443 D HA 0.644 5.300 4.640 0.026 0.000 0.221 443 D C -0.532 175.799 176.300 0.052 0.000 1.237 443 D CA 0.387 54.426 54.000 0.066 0.000 0.781 443 D CB 1.864 42.691 40.800 0.045 0.000 1.575 443 D HN 1.177 nan 8.370 nan 0.000 0.482 444 G N 0.507 109.328 108.800 0.035 0.000 2.620 444 G HA2 0.853 4.828 3.960 0.026 0.000 0.301 444 G HA3 0.853 4.828 3.960 0.026 0.000 0.301 444 G C -1.491 173.422 174.900 0.022 0.000 1.347 444 G CA -0.359 44.759 45.100 0.030 0.000 0.971 444 G HN 0.666 nan 8.290 nan 0.000 0.488 445 A N -0.292 122.541 122.820 0.022 0.000 2.549 445 A HA 1.021 5.357 4.320 0.026 0.000 0.297 445 A C -0.424 177.176 177.584 0.026 0.000 1.061 445 A CA -0.006 52.046 52.037 0.025 0.000 0.690 445 A CB 1.701 20.716 19.000 0.025 0.000 1.287 445 A HN 2.311 nan 8.150 nan 0.000 0.402 446 A N 1.213 124.051 122.820 0.030 0.000 2.556 446 A HA 0.771 5.107 4.320 0.026 0.000 0.294 446 A C -1.026 176.576 177.584 0.030 0.000 1.091 446 A CA -0.685 51.368 52.037 0.027 0.000 0.704 446 A CB 1.277 20.292 19.000 0.025 0.000 1.300 446 A HN 0.815 nan 8.150 nan 0.000 0.406 447 N N 0.806 119.520 118.700 0.024 0.000 2.462 447 N HA 0.122 4.877 4.740 0.026 0.000 0.242 447 N C 0.483 176.006 175.510 0.023 0.000 1.010 447 N CA -0.457 52.607 53.050 0.024 0.000 0.939 447 N CB 0.766 39.265 38.487 0.019 0.000 1.127 447 N HN 0.565 nan 8.380 nan 0.000 0.509 448 R N 2.049 122.564 120.500 0.026 0.000 2.241 448 R HA -0.066 4.290 4.340 0.026 0.000 0.224 448 R C 0.853 177.165 176.300 0.019 0.000 1.101 448 R CA 0.897 57.011 56.100 0.024 0.000 0.995 448 R CB 0.237 30.554 30.300 0.028 0.000 0.870 448 R HN 0.699 nan 8.270 nan 0.000 0.463 449 E N -0.669 119.541 120.200 0.018 0.000 2.057 449 E HA -0.052 4.313 4.350 0.026 0.000 0.190 449 E C 1.843 178.450 176.600 0.013 0.000 0.969 449 E CA 1.590 57.999 56.400 0.014 0.000 0.812 449 E CB -0.091 29.617 29.700 0.013 0.000 0.777 449 E HN 0.371 nan 8.360 nan 0.000 0.455 450 T N -1.250 113.312 114.554 0.013 0.000 3.014 450 T HA 0.045 4.410 4.350 0.026 0.000 0.263 450 T C 0.964 175.670 174.700 0.011 0.000 1.078 450 T CA 0.469 62.576 62.100 0.011 0.000 1.135 450 T CB 0.012 68.886 68.868 0.010 0.000 0.895 450 T HN 0.067 nan 8.240 nan 0.000 0.480 451 K N 0.360 120.767 120.400 0.013 0.000 3.339 451 K HA -0.080 4.255 4.320 0.026 0.000 0.299 451 K C -0.814 175.793 176.600 0.011 0.000 1.270 451 K CA 0.110 56.405 56.287 0.013 0.000 0.875 451 K CB -1.560 30.947 32.500 0.011 0.000 1.298 451 K HN 0.351 nan 8.250 nan 0.000 0.485 452 L N 1.321 122.551 121.223 0.011 0.000 2.257 452 L HA 0.427 4.782 4.340 0.026 0.000 0.290 452 L C 1.122 177.999 176.870 0.012 0.000 1.044 452 L CA 0.512 55.358 54.840 0.010 0.000 0.810 452 L CB 0.934 42.998 42.059 0.009 0.000 1.193 452 L HN 0.304 nan 8.230 nan 0.000 0.425 453 G N 3.647 112.454 108.800 0.011 0.000 3.042 453 G HA2 0.733 4.708 3.960 0.026 0.000 0.278 453 G HA3 0.733 4.708 3.960 0.026 0.000 0.278 453 G C -1.159 173.748 174.900 0.010 0.000 1.371 453 G CA -0.477 44.631 45.100 0.013 0.000 1.009 453 G HN 0.447 nan 8.290 nan 0.000 0.523 454 K N -0.903 119.503 120.400 0.012 0.000 2.535 454 K HA 0.636 4.972 4.320 0.026 0.000 0.251 454 K C -1.084 175.524 176.600 0.013 0.000 0.942 454 K CA -0.497 55.794 56.287 0.007 0.000 0.798 454 K CB 2.524 35.026 32.500 0.003 0.000 1.267 454 K HN 0.759 nan 8.250 nan 0.000 0.434 455 A N 1.571 124.399 122.820 0.013 0.000 2.386 455 A HA 0.959 5.294 4.320 0.026 0.000 0.311 455 A C -0.583 177.008 177.584 0.013 0.000 1.068 455 A CA -0.394 51.659 52.037 0.028 0.000 0.743 455 A CB 1.765 20.791 19.000 0.043 0.000 1.258 455 A HN 0.782 nan 8.150 nan 0.000 0.429 456 G N -0.315 108.504 108.800 0.031 0.000 2.488 456 G HA2 0.695 4.670 3.960 0.026 0.000 0.301 456 G HA3 0.695 4.670 3.960 0.026 0.000 0.301 456 G C -1.479 173.476 174.900 0.091 0.000 1.339 456 G CA 0.171 45.252 45.100 -0.032 0.000 0.803 456 G HN 2.013 nan 8.290 nan 0.000 0.482 457 Y N -2.735 117.627 120.300 0.104 0.000 2.689 457 Y HA 0.842 5.408 4.550 0.026 0.000 0.333 457 Y C -1.320 174.639 175.900 0.099 0.000 1.208 457 Y CA -1.825 56.365 58.100 0.150 0.000 1.055 457 Y CB 1.272 39.903 38.460 0.286 0.000 1.304 457 Y HN 0.770 nan 8.280 nan 0.000 0.455 458 V N 1.522 121.695 119.914 0.433 0.000 2.851 458 V HA 0.694 4.830 4.120 0.026 0.000 0.307 458 V C -0.481 175.717 176.094 0.173 0.000 1.129 458 V CA -0.105 62.336 62.300 0.234 0.000 0.932 458 V CB 2.056 33.928 31.823 0.082 0.000 1.024 458 V HN 1.206 nan 8.190 nan 0.000 0.426 459 T N -0.373 114.175 114.554 -0.011 0.000 2.942 459 T HA 0.333 4.698 4.350 0.026 0.000 0.289 459 T C 0.913 175.585 174.700 -0.047 0.000 1.044 459 T CA -0.381 61.622 62.100 -0.163 0.000 1.023 459 T CB 1.541 70.034 68.868 -0.626 0.000 1.123 459 T HN 0.692 nan 8.240 nan 0.000 0.512 460 N N 0.879 119.576 118.700 -0.005 0.000 2.573 460 N HA -0.106 4.650 4.740 0.026 0.000 0.187 460 N C 1.070 176.561 175.510 -0.030 0.000 1.107 460 N CA 0.434 53.493 53.050 0.015 0.000 0.918 460 N CB -0.379 38.143 38.487 0.058 0.000 0.966 460 N HN 0.658 nan 8.380 nan 0.000 0.448 461 R N -0.599 119.858 120.500 -0.072 0.000 2.359 461 R HA 0.198 4.553 4.340 0.026 0.000 0.231 461 R C 0.721 176.994 176.300 -0.046 0.000 0.913 461 R CA 0.425 56.489 56.100 -0.059 0.000 1.075 461 R CB 0.211 30.465 30.300 -0.077 0.000 1.087 461 R HN 0.370 nan 8.270 nan 0.000 0.515 462 G N 1.863 110.638 108.800 -0.043 0.000 2.175 462 G HA2 -0.344 3.631 3.960 0.026 0.000 0.244 462 G HA3 -0.344 3.631 3.960 0.026 0.000 0.244 462 G C 0.200 175.091 174.900 -0.014 0.000 0.982 462 G CA 0.083 45.168 45.100 -0.026 0.000 0.641 462 G HN 0.372 nan 8.290 nan 0.000 0.527 463 R N 1.276 121.762 120.500 -0.023 0.000 2.390 463 R HA 0.571 4.926 4.340 0.026 0.000 0.291 463 R C 0.525 176.895 176.300 0.116 0.000 1.070 463 R CA 0.269 56.389 56.100 0.034 0.000 1.014 463 R CB 0.285 30.595 30.300 0.016 0.000 1.007 463 R HN 0.617 nan 8.270 nan 0.000 0.466 464 Q N 2.526 122.388 119.800 0.103 0.000 2.511 464 Q HA 0.477 4.832 4.340 0.026 0.000 0.289 464 Q C -1.709 174.149 176.000 -0.237 0.000 1.021 464 Q CA -1.317 54.472 55.803 -0.022 0.000 0.785 464 Q CB 2.361 31.074 28.738 -0.042 0.000 1.472 464 Q HN 0.496 nan 8.270 nan 0.000 0.411 465 K N 0.314 120.400 120.400 -0.523 0.000 2.592 465 K HA 0.473 4.809 4.320 0.026 0.000 0.259 465 K C -2.280 174.086 176.600 -0.390 0.000 0.937 465 K CA -0.500 55.497 56.287 -0.484 0.000 0.874 465 K CB 2.347 34.461 32.500 -0.644 0.000 1.339 465 K HN 0.512 nan 8.250 nan 0.000 0.425 466 V N 3.656 123.450 119.914 -0.199 0.000 2.588 466 V HA 0.580 4.715 4.120 0.026 0.000 0.304 466 V C -0.844 175.203 176.094 -0.078 0.000 1.042 466 V CA -0.858 61.369 62.300 -0.122 0.000 0.877 466 V CB 1.764 33.540 31.823 -0.078 0.000 0.996 466 V HN 0.566 nan 8.190 nan 0.000 0.425 467 V N 2.990 122.874 119.914 -0.050 0.000 2.604 467 V HA 0.597 4.733 4.120 0.026 0.000 0.305 467 V C 0.087 176.176 176.094 -0.009 0.000 1.043 467 V CA -0.351 61.937 62.300 -0.021 0.000 0.888 467 V CB 2.321 34.143 31.823 -0.001 0.000 0.995 467 V HN 0.937 nan 8.190 nan 0.000 0.429 468 T N 6.120 120.671 114.554 -0.005 0.000 2.794 468 T HA 0.755 5.120 4.350 0.026 0.000 0.280 468 T C -0.935 173.767 174.700 0.004 0.000 0.987 468 T CA -0.307 61.792 62.100 -0.001 0.000 0.993 468 T CB 0.361 69.227 68.868 -0.003 0.000 0.939 468 T HN 0.441 nan 8.240 nan 0.000 0.449 469 L N 4.215 125.442 121.223 0.006 0.000 2.381 469 L HA 0.663 5.018 4.340 0.026 0.000 0.268 469 L C 0.520 177.393 176.870 0.006 0.000 0.997 469 L CA -1.186 53.658 54.840 0.007 0.000 0.818 469 L CB 2.438 44.502 42.059 0.008 0.000 1.310 469 L HN 0.730 nan 8.230 nan 0.000 0.416 470 T N -3.019 111.538 114.554 0.005 0.000 2.940 470 T HA 0.394 4.759 4.350 0.026 0.000 0.288 470 T C 0.048 174.751 174.700 0.005 0.000 1.033 470 T CA -0.491 61.612 62.100 0.005 0.000 1.033 470 T CB 1.638 70.508 68.868 0.004 0.000 1.079 470 T HN 0.701 nan 8.240 nan 0.000 0.496 471 D N -0.113 120.290 120.400 0.006 0.000 2.699 471 D HA -0.163 4.493 4.640 0.026 0.000 0.239 471 D C -0.270 176.033 176.300 0.005 0.000 1.136 471 D CA 1.500 55.503 54.000 0.005 0.000 0.668 471 D CB -1.173 39.629 40.800 0.003 0.000 1.060 471 D HN 0.899 nan 8.370 nan 0.000 0.429 472 T N -1.042 113.517 114.554 0.008 0.000 2.916 472 T HA 0.752 5.117 4.350 0.026 0.000 0.292 472 T C 0.136 174.844 174.700 0.013 0.000 1.064 472 T CA 0.282 62.387 62.100 0.008 0.000 1.011 472 T CB 1.617 70.489 68.868 0.007 0.000 1.152 472 T HN 0.262 nan 8.240 nan 0.000 0.510 473 T N -0.214 114.349 114.554 0.016 0.000 2.919 473 T HA 0.414 4.780 4.350 0.026 0.000 0.282 473 T C 1.097 175.814 174.700 0.027 0.000 1.020 473 T CA -0.576 61.538 62.100 0.023 0.000 0.994 473 T CB 1.144 70.029 68.868 0.028 0.000 1.180 473 T HN 0.636 nan 8.240 nan 0.000 0.566 474 N N -0.584 118.137 118.700 0.036 0.000 2.135 474 N HA -0.144 4.611 4.740 0.026 0.000 0.186 474 N C 2.032 177.568 175.510 0.043 0.000 1.027 474 N CA 0.714 53.789 53.050 0.041 0.000 0.849 474 N CB -0.089 38.429 38.487 0.051 0.000 1.002 474 N HN 0.751 nan 8.380 nan 0.000 0.425 475 Q N 0.985 120.817 119.800 0.054 0.000 2.152 475 Q HA -0.201 4.154 4.340 0.026 0.000 0.206 475 Q C 1.529 177.540 176.000 0.018 0.000 0.985 475 Q CA 1.572 57.413 55.803 0.063 0.000 0.863 475 Q CB 0.166 28.964 28.738 0.101 0.000 0.904 475 Q HN 0.318 nan 8.270 nan 0.000 0.422 476 K N -0.536 119.871 120.400 0.010 0.000 2.062 476 K HA -0.073 4.262 4.320 0.026 0.000 0.205 476 K C 2.269 178.865 176.600 -0.007 0.000 1.051 476 K CA 1.618 57.897 56.287 -0.014 0.000 0.941 476 K CB -0.149 32.344 32.500 -0.011 0.000 0.719 476 K HN 0.397 nan 8.250 nan 0.000 0.440 477 T N -0.060 114.499 114.554 0.010 0.000 2.720 477 T HA -0.180 4.185 4.350 0.026 0.000 0.268 477 T C 1.794 176.507 174.700 0.023 0.000 1.037 477 T CA 1.295 63.406 62.100 0.018 0.000 1.144 477 T CB -0.299 68.582 68.868 0.022 0.000 0.864 477 T HN 0.239 nan 8.240 nan 0.000 0.444 478 E N 1.014 121.226 120.200 0.021 0.000 2.051 478 E HA -0.006 4.359 4.350 0.026 0.000 0.192 478 E C 2.236 178.839 176.600 0.005 0.000 0.991 478 E CA 1.156 57.571 56.400 0.024 0.000 0.799 478 E CB -0.326 29.395 29.700 0.035 0.000 0.748 478 E HN 0.478 nan 8.360 nan 0.000 0.449 479 L N 0.489 121.692 121.223 -0.035 0.000 2.156 479 L HA -0.172 4.183 4.340 0.026 0.000 0.208 479 L C 2.597 179.461 176.870 -0.011 0.000 1.095 479 L CA 0.694 55.489 54.840 -0.074 0.000 0.770 479 L CB -0.176 41.785 42.059 -0.163 0.000 0.914 479 L HN 0.134 nan 8.230 nan 0.000 0.439 480 Q N 0.613 120.420 119.800 0.011 0.000 2.119 480 Q HA -0.131 4.225 4.340 0.026 0.000 0.201 480 Q C 2.206 178.281 176.000 0.124 0.000 0.972 480 Q CA 1.914 57.759 55.803 0.070 0.000 0.847 480 Q CB -0.204 28.560 28.738 0.044 0.000 0.903 480 Q HN 0.399 nan 8.270 nan 0.000 0.433 481 A N 0.143 123.017 122.820 0.090 0.000 1.972 481 A HA -0.120 4.215 4.320 0.026 0.000 0.219 481 A C 2.089 179.737 177.584 0.107 0.000 1.169 481 A CA 1.421 53.529 52.037 0.118 0.000 0.635 481 A CB -0.657 18.404 19.000 0.102 0.000 0.810 481 A HN 0.489 nan 8.150 nan 0.000 0.446 482 I N -2.325 118.281 120.570 0.060 0.000 2.353 482 I HA -0.188 3.998 4.170 0.026 0.000 0.248 482 I C 2.404 178.515 176.117 -0.010 0.000 1.119 482 I CA 1.226 62.528 61.300 0.003 0.000 1.417 482 I CB -0.307 37.682 38.000 -0.018 0.000 1.078 482 I HN 0.501 nan 8.210 nan 0.000 0.421 483 Y N 1.738 121.991 120.300 -0.079 0.000 2.200 483 Y HA -0.170 4.394 4.550 0.024 0.000 0.290 483 Y C 2.268 178.124 175.900 -0.073 0.000 1.137 483 Y CA 1.472 59.521 58.100 -0.086 0.000 1.163 483 Y CB -0.253 38.168 38.460 -0.065 0.000 0.988 483 Y HN 0.001 nan 8.280 nan 0.000 0.518 484 L N -0.507 120.715 121.223 -0.003 0.000 2.046 484 L HA -0.238 4.117 4.340 0.026 0.000 0.208 484 L C 2.765 179.545 176.870 -0.150 0.000 1.077 484 L CA 1.186 56.024 54.840 -0.004 0.000 0.747 484 L CB -1.035 41.164 42.059 0.235 0.000 0.896 484 L HN 0.303 nan 8.230 nan 0.000 0.432 485 A N 0.331 122.991 122.820 -0.267 0.000 1.858 485 A HA -0.185 4.150 4.320 0.026 0.000 0.216 485 A C 2.253 179.290 177.584 -0.911 0.000 1.190 485 A CA 1.541 53.047 52.037 -0.886 0.000 0.617 485 A CB -0.807 17.765 19.000 -0.713 0.000 0.827 485 A HN 0.352 nan 8.150 nan 0.000 0.443 486 L N -0.747 120.138 121.223 -0.562 0.000 2.079 486 L HA -0.271 4.084 4.340 0.026 0.000 0.210 486 L C 2.956 179.561 176.870 -0.442 0.000 1.081 486 L CA 1.586 56.149 54.840 -0.461 0.000 0.752 486 L CB -0.669 41.190 42.059 -0.334 0.000 0.896 486 L HN 0.515 nan 8.230 nan 0.000 0.433 487 Q N -0.153 119.348 119.800 -0.498 0.000 2.050 487 Q HA -0.199 4.157 4.340 0.026 0.000 0.202 487 Q C 1.423 177.279 176.000 -0.240 0.000 0.980 487 Q CA 1.523 57.088 55.803 -0.396 0.000 0.840 487 Q CB -0.087 28.388 28.738 -0.439 0.000 0.898 487 Q HN 0.535 nan 8.270 nan 0.000 0.424 488 D N 0.321 120.583 120.400 -0.230 0.000 2.349 488 D HA -0.007 4.649 4.640 0.026 0.000 0.215 488 D C 0.651 176.913 176.300 -0.064 0.000 1.016 488 D CA 0.261 54.214 54.000 -0.078 0.000 0.870 488 D CB 0.160 41.023 40.800 0.104 0.000 0.917 488 D HN 0.123 nan 8.370 nan 0.000 0.524 489 S N -0.760 114.783 115.700 -0.262 0.000 2.713 489 S HA 0.672 5.158 4.470 0.026 0.000 0.283 489 S C 0.796 175.352 174.600 -0.072 0.000 1.161 489 S CA -0.672 57.446 58.200 -0.136 0.000 0.999 489 S CB 2.037 64.987 63.200 -0.417 0.000 1.039 489 S HN 0.055 nan 8.310 nan 0.000 0.548 490 G N -0.121 108.676 108.800 -0.004 0.000 2.494 490 G HA2 0.383 4.359 3.960 0.026 0.000 0.270 490 G HA3 0.383 4.359 3.960 0.026 0.000 0.270 490 G C 0.488 175.374 174.900 -0.023 0.000 1.423 490 G CA -0.792 44.304 45.100 -0.007 0.000 1.055 490 G HN 0.570 nan 8.290 nan 0.000 0.536 491 L N -0.083 121.136 121.223 -0.007 0.000 2.549 491 L HA 0.142 4.497 4.340 0.026 0.000 0.229 491 L C 0.892 177.763 176.870 0.002 0.000 1.158 491 L CA 1.241 56.078 54.840 -0.004 0.000 0.842 491 L CB -1.518 40.546 42.059 0.007 0.000 0.952 491 L HN 0.481 nan 8.230 nan 0.000 0.452 492 E N -0.721 119.484 120.200 0.008 0.000 2.278 492 E HA 0.607 4.973 4.350 0.026 0.000 0.272 492 E C -1.202 175.416 176.600 0.030 0.000 0.890 492 E CA -0.356 56.057 56.400 0.021 0.000 0.770 492 E CB 2.669 32.386 29.700 0.028 0.000 1.212 492 E HN -0.136 nan 8.360 nan 0.000 0.415 493 V N 0.284 120.215 119.914 0.029 0.000 3.012 493 V HA 0.529 4.664 4.120 0.026 0.000 0.307 493 V C -0.798 175.339 176.094 0.070 0.000 1.166 493 V CA -1.214 61.116 62.300 0.050 0.000 0.974 493 V CB 2.236 34.029 31.823 -0.049 0.000 1.040 493 V HN 0.573 nan 8.190 nan 0.000 0.428 494 N N 2.191 120.952 118.700 0.101 0.000 2.372 494 N HA 0.769 5.524 4.740 0.026 0.000 0.291 494 N C -1.269 174.259 175.510 0.029 0.000 1.024 494 N CA -0.290 52.828 53.050 0.113 0.000 0.873 494 N CB 2.611 41.174 38.487 0.127 0.000 1.206 494 N HN 0.720 nan 8.380 nan 0.000 0.486 495 I N 1.258 121.797 120.570 -0.051 0.000 2.499 495 I HA 0.259 4.444 4.170 0.026 0.000 0.288 495 I C -0.447 175.575 176.117 -0.158 0.000 1.048 495 I CA -1.090 60.151 61.300 -0.099 0.000 1.062 495 I CB 2.402 40.339 38.000 -0.105 0.000 1.238 495 I HN 0.091 nan 8.210 nan 0.000 0.426 496 V N 5.090 124.884 119.914 -0.201 0.000 2.448 496 V HA 0.777 4.912 4.120 0.026 0.000 0.295 496 V C -0.636 175.412 176.094 -0.076 0.000 1.025 496 V CA 0.301 62.494 62.300 -0.179 0.000 0.859 496 V CB 1.825 33.481 31.823 -0.278 0.000 0.988 496 V HN 0.864 nan 8.190 nan 0.000 0.431 497 T N 2.974 117.499 114.554 -0.047 0.000 2.883 497 T HA 0.491 4.856 4.350 0.026 0.000 0.296 497 T C -0.199 174.460 174.700 -0.069 0.000 1.117 497 T CA 0.195 62.293 62.100 -0.002 0.000 1.006 497 T CB 1.934 70.836 68.868 0.057 0.000 1.191 497 T HN 0.936 nan 8.240 nan 0.000 0.508 498 D N 0.603 120.973 120.400 -0.051 0.000 2.395 498 D HA 0.177 4.833 4.640 0.026 0.000 0.213 498 D C 0.650 177.143 176.300 0.321 0.000 1.110 498 D CA -0.173 53.742 54.000 -0.141 0.000 0.835 498 D CB -0.028 40.669 40.800 -0.172 0.000 0.965 498 D HN 0.287 nan 8.370 nan 0.000 0.505 499 S N 0.484 116.373 115.700 0.315 0.000 2.516 499 S HA -0.013 4.472 4.470 0.026 0.000 0.282 499 S C 1.284 176.070 174.600 0.311 0.000 1.286 499 S CA -0.323 58.048 58.200 0.284 0.000 1.066 499 S CB 0.807 64.106 63.200 0.164 0.000 0.884 499 S HN 0.043 nan 8.310 nan 0.000 0.491 500 Q N 3.955 123.869 119.800 0.190 0.000 2.079 500 Q HA -0.150 4.205 4.340 0.026 0.000 0.200 500 Q C 1.499 177.482 176.000 -0.029 0.000 0.974 500 Q CA 1.763 57.541 55.803 -0.042 0.000 0.840 500 Q CB -0.459 28.260 28.738 -0.032 0.000 0.898 500 Q HN 1.003 nan 8.270 nan 0.000 0.430 501 Y N 0.845 121.107 120.300 -0.062 0.000 2.128 501 Y HA -0.288 4.277 4.550 0.025 0.000 0.284 501 Y C 2.255 178.099 175.900 -0.093 0.000 1.154 501 Y CA 1.150 59.206 58.100 -0.074 0.000 1.149 501 Y CB -0.003 38.440 38.460 -0.029 0.000 0.976 501 Y HN 0.172 nan 8.280 nan 0.000 0.505 502 A N 0.006 122.944 122.820 0.197 0.000 1.978 502 A HA -0.251 4.085 4.320 0.026 0.000 0.220 502 A C 2.021 179.624 177.584 0.033 0.000 1.170 502 A CA 1.690 53.784 52.037 0.095 0.000 0.636 502 A CB -1.031 18.023 19.000 0.091 0.000 0.810 502 A HN 0.553 nan 8.150 nan 0.000 0.448 503 L N -0.105 121.076 121.223 -0.071 0.000 2.131 503 L HA -0.029 4.326 4.340 0.026 0.000 0.210 503 L C 2.371 179.131 176.870 -0.185 0.000 1.092 503 L CA 1.971 56.673 54.840 -0.229 0.000 0.759 503 L CB -0.903 40.816 42.059 -0.568 0.000 0.903 503 L HN 0.318 nan 8.230 nan 0.000 0.435 504 G N -0.622 108.091 108.800 -0.146 0.000 2.394 504 G HA2 -0.199 3.776 3.960 0.026 0.000 0.215 504 G HA3 -0.199 3.776 3.960 0.026 0.000 0.215 504 G C 1.622 176.454 174.900 -0.113 0.000 1.165 504 G CA 0.889 45.870 45.100 -0.198 0.000 0.784 504 G HN 0.442 nan 8.290 nan 0.000 0.535 505 I N 0.709 121.282 120.570 0.005 0.000 2.264 505 I HA -0.165 4.021 4.170 0.026 0.000 0.248 505 I C 2.607 178.772 176.117 0.081 0.000 1.111 505 I CA 0.793 62.130 61.300 0.061 0.000 1.382 505 I CB -0.205 37.842 38.000 0.077 0.000 1.060 505 I HN 0.164 nan 8.210 nan 0.000 0.418 506 I N 0.209 120.797 120.570 0.031 0.000 2.179 506 I HA -0.324 3.862 4.170 0.026 0.000 0.242 506 I C 2.723 178.860 176.117 0.033 0.000 1.088 506 I CA 1.542 62.863 61.300 0.035 0.000 1.357 506 I CB -0.455 37.538 38.000 -0.012 0.000 1.051 506 I HN 0.341 nan 8.210 nan 0.000 0.409 507 Q N 1.018 120.795 119.800 -0.038 0.000 2.016 507 Q HA -0.183 4.172 4.340 0.026 0.000 0.200 507 Q C 2.278 178.321 176.000 0.072 0.000 0.978 507 Q CA 1.917 57.684 55.803 -0.061 0.000 0.833 507 Q CB -0.063 28.520 28.738 -0.258 0.000 0.895 507 Q HN 0.524 nan 8.270 nan 0.000 0.427 508 A N -0.118 122.759 122.820 0.095 0.000 1.975 508 A HA -0.053 4.282 4.320 0.026 0.000 0.215 508 A C 0.654 178.469 177.584 0.385 0.000 1.170 508 A CA 0.604 52.848 52.037 0.345 0.000 0.656 508 A CB -0.054 19.114 19.000 0.279 0.000 0.821 508 A HN 0.574 nan 8.150 nan 0.000 0.449 509 Q N -0.639 119.320 119.800 0.264 0.000 2.443 509 Q HA -0.129 4.226 4.340 0.026 0.000 0.337 509 Q C -2.178 173.994 176.000 0.286 0.000 1.401 509 Q CA 0.353 56.325 55.803 0.283 0.000 0.943 509 Q CB -1.429 27.407 28.738 0.163 0.000 1.177 509 Q HN 0.603 nan 8.270 nan 0.000 0.394 510 P HA -0.020 nan 4.420 nan 0.000 0.272 510 P C -0.021 177.492 177.300 0.356 0.000 1.240 510 P CA 0.508 63.805 63.100 0.329 0.000 0.791 510 P CB 0.594 32.483 31.700 0.315 0.000 0.978 511 D N -2.222 118.343 120.400 0.275 0.000 2.562 511 D HA 0.120 4.776 4.640 0.026 0.000 0.246 511 D C -0.180 176.167 176.300 0.079 0.000 1.347 511 D CA -0.078 54.054 54.000 0.220 0.000 0.800 511 D CB 0.154 41.095 40.800 0.236 0.000 1.111 511 D HN 0.335 nan 8.370 nan 0.000 0.508 512 Q N -0.237 119.640 119.800 0.128 0.000 2.353 512 Q HA 0.655 5.010 4.340 0.026 0.000 0.275 512 Q C -1.571 174.515 176.000 0.143 0.000 1.029 512 Q CA -0.838 55.019 55.803 0.089 0.000 0.848 512 Q CB 2.632 31.427 28.738 0.094 0.000 1.390 512 Q HN 0.044 nan 8.270 nan 0.000 0.401 513 S N -0.176 115.590 115.700 0.109 0.000 2.596 513 S HA 0.240 4.726 4.470 0.026 0.000 0.270 513 S C -0.313 174.342 174.600 0.092 0.000 1.155 513 S CA -0.379 57.908 58.200 0.144 0.000 0.827 513 S CB 1.316 64.606 63.200 0.149 0.000 1.130 513 S HN 0.769 nan 8.310 nan 0.000 0.467 514 E N 0.921 121.183 120.200 0.103 0.000 2.086 514 E HA 0.177 4.542 4.350 0.026 0.000 0.190 514 E C 0.624 177.256 176.600 0.053 0.000 0.975 514 E CA 0.536 56.976 56.400 0.066 0.000 0.813 514 E CB -0.223 29.514 29.700 0.062 0.000 0.768 514 E HN 0.300 nan 8.360 nan 0.000 0.457 515 S N 0.655 116.399 115.700 0.072 0.000 2.455 515 S HA 0.001 4.487 4.470 0.026 0.000 0.278 515 S C 0.734 175.329 174.600 -0.007 0.000 1.216 515 S CA -0.353 57.868 58.200 0.035 0.000 1.055 515 S CB 0.784 64.014 63.200 0.050 0.000 0.939 515 S HN 0.390 nan 8.310 nan 0.000 0.494 516 E N 4.034 124.215 120.200 -0.031 0.000 2.338 516 E HA -0.078 4.287 4.350 0.026 0.000 0.197 516 E C 1.585 178.118 176.600 -0.111 0.000 1.007 516 E CA 0.638 57.002 56.400 -0.060 0.000 0.849 516 E CB -0.024 29.641 29.700 -0.059 0.000 0.774 516 E HN 0.843 nan 8.360 nan 0.000 0.506 517 L N -0.234 120.913 121.223 -0.126 0.000 2.072 517 L HA -0.105 4.250 4.340 0.026 0.000 0.205 517 L C 2.022 178.775 176.870 -0.194 0.000 1.079 517 L CA 0.783 55.499 54.840 -0.206 0.000 0.752 517 L CB -0.013 41.938 42.059 -0.179 0.000 0.906 517 L HN 0.118 nan 8.230 nan 0.000 0.436 518 V N 0.442 120.276 119.914 -0.132 0.000 2.515 518 V HA -0.226 3.909 4.120 0.026 0.000 0.250 518 V C 2.089 178.145 176.094 -0.064 0.000 1.058 518 V CA 1.546 63.779 62.300 -0.111 0.000 1.064 518 V CB -0.797 30.989 31.823 -0.061 0.000 0.675 518 V HN 0.526 nan 8.190 nan 0.000 0.461 519 N N -0.061 118.604 118.700 -0.059 0.000 2.354 519 N HA -0.106 4.650 4.740 0.026 0.000 0.179 519 N C 1.896 177.364 175.510 -0.069 0.000 1.021 519 N CA 0.885 53.906 53.050 -0.048 0.000 0.887 519 N CB -0.101 38.359 38.487 -0.045 0.000 0.974 519 N HN 0.597 nan 8.380 nan 0.000 0.437 520 Q N 0.417 120.148 119.800 -0.116 0.000 2.123 520 Q HA 0.090 4.445 4.340 0.026 0.000 0.199 520 Q C 2.036 178.052 176.000 0.028 0.000 0.966 520 Q CA 0.633 56.369 55.803 -0.112 0.000 0.845 520 Q CB 0.149 28.663 28.738 -0.372 0.000 0.907 520 Q HN 0.384 nan 8.270 nan 0.000 0.439 521 I N 0.575 121.138 120.570 -0.011 0.000 2.252 521 I HA -0.272 3.913 4.170 0.026 0.000 0.245 521 I C 2.179 178.270 176.117 -0.042 0.000 1.102 521 I CA 1.077 62.413 61.300 0.060 0.000 1.385 521 I CB -0.246 37.742 38.000 -0.021 0.000 1.064 521 I HN 0.197 nan 8.210 nan 0.000 0.414 522 I N 0.551 121.082 120.570 -0.066 0.000 2.208 522 I HA -0.278 3.907 4.170 0.026 0.000 0.245 522 I C 2.589 178.649 176.117 -0.095 0.000 1.097 522 I CA 1.244 62.485 61.300 -0.099 0.000 1.363 522 I CB -0.438 37.558 38.000 -0.008 0.000 1.051 522 I HN 0.252 nan 8.210 nan 0.000 0.413 523 E N 0.559 120.729 120.200 -0.049 0.000 2.058 523 E HA -0.231 4.134 4.350 0.026 0.000 0.194 523 E C 2.199 178.782 176.600 -0.029 0.000 0.997 523 E CA 1.153 57.533 56.400 -0.034 0.000 0.801 523 E CB -0.372 29.323 29.700 -0.009 0.000 0.746 523 E HN 0.493 nan 8.360 nan 0.000 0.450 524 Q N 0.313 120.102 119.800 -0.019 0.000 2.124 524 Q HA -0.057 4.299 4.340 0.026 0.000 0.202 524 Q C 2.540 178.470 176.000 -0.116 0.000 0.977 524 Q CA 0.727 56.491 55.803 -0.065 0.000 0.850 524 Q CB -0.393 28.294 28.738 -0.086 0.000 0.901 524 Q HN 0.350 nan 8.270 nan 0.000 0.429 525 L N -0.049 121.060 121.223 -0.189 0.000 2.131 525 L HA -0.143 4.212 4.340 0.026 0.000 0.210 525 L C 2.261 179.020 176.870 -0.185 0.000 1.092 525 L CA 0.782 55.434 54.840 -0.313 0.000 0.759 525 L CB -0.344 41.277 42.059 -0.730 0.000 0.903 525 L HN 0.181 nan 8.230 nan 0.000 0.435 526 I N -0.702 119.826 120.570 -0.069 0.000 2.500 526 I HA -0.194 3.991 4.170 0.026 0.000 0.252 526 I C 2.356 178.531 176.117 0.097 0.000 1.142 526 I CA 0.747 62.119 61.300 0.119 0.000 1.451 526 I CB -0.226 37.883 38.000 0.182 0.000 1.093 526 I HN 0.188 nan 8.210 nan 0.000 0.430 527 K N 1.226 121.645 120.400 0.032 0.000 2.148 527 K HA -0.021 4.314 4.320 0.026 0.000 0.204 527 K C 0.728 177.339 176.600 0.018 0.000 1.050 527 K CA 0.710 57.012 56.287 0.025 0.000 0.942 527 K CB -0.162 32.334 32.500 -0.007 0.000 0.724 527 K HN 0.273 nan 8.250 nan 0.000 0.446 528 K N 1.312 121.711 120.400 -0.000 0.000 2.219 528 K HA 0.058 4.393 4.320 0.026 0.000 0.258 528 K C 1.144 177.766 176.600 0.037 0.000 1.008 528 K CA 0.145 56.433 56.287 0.001 0.000 0.928 528 K CB 0.745 33.229 32.500 -0.026 0.000 0.983 528 K HN 0.080 nan 8.250 nan 0.000 0.484 529 E N 0.794 121.015 120.200 0.035 0.000 2.075 529 E HA -0.008 4.357 4.350 0.026 0.000 0.190 529 E C -0.171 176.465 176.600 0.060 0.000 0.969 529 E CA 0.903 57.332 56.400 0.048 0.000 0.815 529 E CB 0.419 30.141 29.700 0.036 0.000 0.776 529 E HN 0.237 nan 8.360 nan 0.000 0.457 530 K N 0.896 121.326 120.400 0.050 0.000 2.397 530 K HA 0.484 4.819 4.320 0.026 0.000 0.253 530 K C -1.295 175.342 176.600 0.062 0.000 0.932 530 K CA -0.565 55.760 56.287 0.063 0.000 0.795 530 K CB 2.805 35.336 32.500 0.051 0.000 1.159 530 K HN -0.156 nan 8.250 nan 0.000 0.424 531 V N 3.309 123.278 119.914 0.091 0.000 2.655 531 V HA 0.235 4.370 4.120 0.026 0.000 0.301 531 V C -1.614 174.572 176.094 0.153 0.000 1.082 531 V CA -0.980 61.367 62.300 0.079 0.000 0.899 531 V CB 1.728 33.562 31.823 0.019 0.000 1.014 531 V HN 0.706 nan 8.190 nan 0.000 0.429 532 Y N 5.613 125.917 120.300 0.007 0.000 2.328 532 Y HA 0.677 5.242 4.550 0.025 0.000 0.333 532 Y C -0.878 175.025 175.900 0.005 0.000 0.958 532 Y CA -0.939 57.171 58.100 0.016 0.000 1.167 532 Y CB 1.435 39.901 38.460 0.009 0.000 1.151 532 Y HN 0.587 nan 8.280 nan 0.000 0.470 533 L N 6.407 127.354 121.223 -0.461 0.000 2.265 533 L HA 0.772 5.128 4.340 0.026 0.000 0.289 533 L C -0.550 175.970 176.870 -0.583 0.000 1.033 533 L CA -0.660 53.941 54.840 -0.398 0.000 0.814 533 L CB 0.796 42.754 42.059 -0.167 0.000 1.203 533 L HN 0.855 nan 8.230 nan 0.000 0.423 534 A N 4.422 126.976 122.820 -0.444 0.000 2.365 534 A HA 0.535 4.871 4.320 0.026 0.000 0.318 534 A C -1.741 175.825 177.584 -0.029 0.000 1.091 534 A CA -0.463 51.410 52.037 -0.273 0.000 0.763 534 A CB 1.171 20.030 19.000 -0.234 0.000 1.248 534 A HN 0.766 nan 8.150 nan 0.000 0.442 535 W N 2.730 123.965 121.300 -0.109 0.000 2.627 535 W HA 0.628 5.303 4.660 0.025 0.000 0.339 535 W C -0.900 175.606 176.519 -0.022 0.000 1.058 535 W CA -0.380 56.931 57.345 -0.057 0.000 1.223 535 W CB 1.837 31.267 29.460 -0.049 0.000 1.389 535 W HN 0.990 nan 8.180 nan 0.000 0.541 536 V N 2.626 121.698 119.914 -1.403 0.000 3.087 536 V HA 0.641 4.776 4.120 0.026 0.000 0.306 536 V C -2.838 172.297 176.094 -1.598 0.000 1.187 536 V CA -3.015 58.494 62.300 -1.318 0.000 0.999 536 V CB 1.506 33.020 31.823 -0.514 0.000 1.049 536 V HN 0.498 nan 8.190 nan 0.000 0.431 537 P HA 0.294 nan 4.420 nan 0.000 0.262 537 P C -0.077 177.059 177.300 -0.274 0.000 1.182 537 P CA 0.897 63.712 63.100 -0.475 0.000 0.761 537 P CB 0.444 32.027 31.700 -0.196 0.000 0.795 538 A N 3.517 126.258 122.820 -0.131 0.000 2.287 538 A HA 0.356 4.692 4.320 0.026 0.000 0.273 538 A C 0.457 177.997 177.584 -0.074 0.000 1.091 538 A CA -0.131 51.801 52.037 -0.176 0.000 0.817 538 A CB -0.292 18.568 19.000 -0.234 0.000 1.069 538 A HN 0.784 nan 8.150 nan 0.000 0.492 539 H N -1.967 117.096 119.070 -0.011 0.000 3.080 539 H HA -0.119 4.452 4.556 0.026 0.000 0.254 539 H C -0.054 175.265 175.328 -0.015 0.000 1.179 539 H CA 1.485 57.530 56.048 -0.005 0.000 1.144 539 H CB -1.404 28.364 29.762 0.009 0.000 1.261 539 H HN 0.581 nan 8.280 nan 0.000 0.333 540 K N -0.374 120.052 120.400 0.044 0.000 2.210 540 K HA 0.568 4.903 4.320 0.026 0.000 0.236 540 K C 1.655 178.252 176.600 -0.004 0.000 1.016 540 K CA 0.291 56.586 56.287 0.014 0.000 0.913 540 K CB 0.526 33.012 32.500 -0.024 0.000 1.141 540 K HN 0.092 nan 8.250 nan 0.000 0.462 541 G N 0.302 109.096 108.800 -0.010 0.000 2.534 541 G HA2 -0.050 3.926 3.960 0.026 0.000 0.217 541 G HA3 -0.050 3.926 3.960 0.026 0.000 0.217 541 G C 0.182 175.062 174.900 -0.033 0.000 1.128 541 G CA 0.048 45.137 45.100 -0.017 0.000 0.784 541 G HN 0.545 nan 8.290 nan 0.000 0.542 542 I N 2.458 123.003 120.570 -0.040 0.000 3.353 542 I HA -0.065 4.120 4.170 0.026 0.000 0.323 542 I C 1.680 177.760 176.117 -0.062 0.000 1.254 542 I CA 0.050 61.322 61.300 -0.046 0.000 1.395 542 I CB -0.594 37.371 38.000 -0.059 0.000 1.387 542 I HN 0.077 nan 8.210 nan 0.000 0.504 543 G N 4.315 113.068 108.800 -0.079 0.000 2.732 543 G HA2 0.341 4.316 3.960 0.026 0.000 0.244 543 G HA3 0.341 4.316 3.960 0.026 0.000 0.244 543 G C 1.078 175.810 174.900 -0.281 0.000 1.226 543 G CA -0.029 44.983 45.100 -0.147 0.000 0.860 543 G HN 1.178 nan 8.290 nan 0.000 0.583 544 G N 0.730 109.281 108.800 -0.415 0.000 4.236 544 G HA2 -0.409 3.566 3.960 0.026 0.000 0.222 544 G HA3 -0.409 3.566 3.960 0.026 0.000 0.222 544 G C 1.318 176.040 174.900 -0.295 0.000 1.354 544 G CA 1.065 45.711 45.100 -0.757 0.000 0.966 544 G HN 1.012 nan 8.290 nan 0.000 0.624 545 N N 2.329 120.968 118.700 -0.102 0.000 2.413 545 N HA 0.314 5.069 4.740 0.026 0.000 0.207 545 N C 1.531 177.015 175.510 -0.042 0.000 1.206 545 N CA 1.369 54.428 53.050 0.014 0.000 0.832 545 N CB -0.078 38.432 38.487 0.039 0.000 1.037 545 N HN 0.866 nan 8.380 nan 0.000 0.467 546 E N -2.419 117.738 120.200 -0.072 0.000 2.489 546 E HA 0.069 4.434 4.350 0.026 0.000 0.208 546 E C 1.097 177.666 176.600 -0.053 0.000 0.814 546 E CA -0.151 56.215 56.400 -0.056 0.000 1.348 546 E CB -0.127 29.538 29.700 -0.059 0.000 1.334 546 E HN 0.019 nan 8.360 nan 0.000 0.672 547 Q N 0.842 120.595 119.800 -0.078 0.000 2.204 547 Q HA 0.104 4.460 4.340 0.026 0.000 0.198 547 Q C 2.339 178.315 176.000 -0.040 0.000 0.946 547 Q CA 1.256 57.020 55.803 -0.064 0.000 0.859 547 Q CB 0.696 29.380 28.738 -0.090 0.000 0.946 547 Q HN 0.271 nan 8.270 nan 0.000 0.474 548 V N 0.959 120.856 119.914 -0.028 0.000 2.535 548 V HA -0.108 4.027 4.120 0.026 0.000 0.246 548 V C 1.929 178.027 176.094 0.007 0.000 1.045 548 V CA 1.372 63.677 62.300 0.007 0.000 1.058 548 V CB -0.303 31.560 31.823 0.067 0.000 0.689 548 V HN 0.217 nan 8.190 nan 0.000 0.461 549 D N 0.552 120.952 120.400 0.001 0.000 2.178 549 D HA -0.141 4.514 4.640 0.026 0.000 0.202 549 D C 2.145 178.442 176.300 -0.005 0.000 0.974 549 D CA 1.169 55.165 54.000 -0.006 0.000 0.841 549 D CB 0.192 40.978 40.800 -0.023 0.000 0.953 549 D HN 0.411 nan 8.370 nan 0.000 0.478 550 K N -0.232 120.163 120.400 -0.008 0.000 2.186 550 K HA 0.102 4.437 4.320 0.026 0.000 0.202 550 K C 2.173 178.771 176.600 -0.003 0.000 1.052 550 K CA 0.129 56.415 56.287 -0.003 0.000 0.965 550 K CB 0.306 32.801 32.500 -0.008 0.000 0.746 550 K HN 0.117 nan 8.250 nan 0.000 0.457 551 L N 0.969 122.186 121.223 -0.009 0.000 2.313 551 L HA -0.036 4.319 4.340 0.026 0.000 0.214 551 L C 1.254 178.119 176.870 -0.008 0.000 1.119 551 L CA 0.686 55.519 54.840 -0.012 0.000 0.809 551 L CB 0.046 42.093 42.059 -0.020 0.000 0.933 551 L HN 0.040 nan 8.230 nan 0.000 0.449 552 V N -4.035 115.877 119.914 -0.003 0.000 2.908 552 V HA 0.385 4.520 4.120 0.026 0.000 0.369 552 V C 0.211 176.310 176.094 0.009 0.000 1.259 552 V CA -0.336 61.965 62.300 0.001 0.000 1.406 552 V CB -0.102 31.724 31.823 0.004 0.000 1.475 552 V HN 0.120 nan 8.190 nan 0.000 0.587 553 S N 0.000 115.706 115.700 0.011 0.000 2.498 553 S HA 0.000 4.485 4.470 0.026 0.000 0.327 553 S CA 0.000 58.212 58.200 0.021 0.000 1.107 553 S CB 0.000 63.218 63.200 0.029 0.000 0.593 553 S HN 0.000 nan 8.310 nan 0.000 0.517