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 3hvt_1_A DATA FIRST_RESID 2 DATA SEQUENCE ISPIETVPVK LKPGMDGPKV KQWPLTEEKI KALVEICTEM EKEGKISKIG DATA SEQUENCE PENPYNTPVF AIKKKDSTKW RKLVDFRELN KRTQDFWEVQ LGIPHPAGLK DATA SEQUENCE KKKSVTVLDV GDAYFSVPLD EDFRKYTAFT IPSINNETPG IRYQYNVLPQ DATA SEQUENCE GWKGSPAIFQ SSMTKILEPF KKQNPDIVIY QYMDDLYVGS DLEIGQHRTK DATA SEQUENCE IEELRQHLLR WGLTTPDKKH QKEPPFLWMG YELHPDKWTV QPIVLPEKDS DATA SEQUENCE WTVNDIQKLV GKLNWASQIY PGIKVRQLCK LLRGTKALTE VIPLTEEAEL DATA SEQUENCE ELAENREILK EPVHGVYYDP SKDLIAEIQK QGQGQWTYQI YQEPFKNLKT DATA SEQUENCE GKYARMRGAH TNDVKQLTEA VQKITTESIV IWGKTPKFKL PIQKETWETW DATA SEQUENCE WTEYWQATWI PEWEFVNTPP LVKLWYQLEK EPIVGAETFY VDGAANRETK DATA SEQUENCE LGKAGYVTNK GRQKVVPLTN TTNQKTELQA IYLALQDSGL EVNIVTDSQY DATA SEQUENCE ALGIIQAQPD KSESELVNQI IEQLIKKEKV YLAWVPAHKG IGGNEQVDKL DATA SEQUENCE VSAGI 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 2 I HA 0.000 nan 4.170 nan 0.000 0.288 2 I C 0.000 176.149 176.117 0.053 0.000 1.063 2 I CA 0.000 61.328 61.300 0.047 0.000 1.566 2 I CB 0.000 38.021 38.000 0.035 0.000 1.214 3 S N 1.547 117.278 115.700 0.051 0.000 2.849 3 S HA 0.315 4.785 4.470 0.000 0.000 0.298 3 S C -3.147 171.496 174.600 0.072 0.000 0.739 3 S CA -0.603 57.640 58.200 0.072 0.000 0.730 3 S CB 1.140 64.392 63.200 0.086 0.000 0.937 3 S HN 0.615 nan 8.310 nan 0.000 0.551 4 P HA 0.584 nan 4.420 nan 0.000 0.266 4 P C -0.746 176.640 177.300 0.143 0.000 1.586 4 P CA -0.122 63.000 63.100 0.037 0.000 1.088 4 P CB -0.143 31.519 31.700 -0.063 0.000 1.584 5 I N 1.084 121.740 120.570 0.143 0.000 3.264 5 I HA 0.333 4.503 4.170 0.000 0.000 0.315 5 I C -0.135 176.039 176.117 0.095 0.000 1.154 5 I CA -1.295 60.115 61.300 0.182 0.000 0.962 5 I CB 2.451 40.527 38.000 0.128 0.000 1.265 5 I HN -0.007 nan 8.210 nan 0.000 0.463 6 E N 1.561 121.801 120.200 0.068 0.000 2.028 6 E HA 0.255 4.605 4.350 0.000 0.000 0.266 6 E C -0.809 175.797 176.600 0.011 0.000 0.962 6 E CA -0.299 56.125 56.400 0.041 0.000 0.784 6 E CB 0.891 30.619 29.700 0.046 0.000 1.114 6 E HN 0.334 nan 8.360 nan 0.000 0.414 7 T N 1.731 116.296 114.554 0.017 0.000 2.897 7 T HA -0.047 4.303 4.350 0.000 0.000 0.304 7 T C 0.064 174.770 174.700 0.011 0.000 1.051 7 T CA 0.272 62.380 62.100 0.012 0.000 1.132 7 T CB 0.221 69.108 68.868 0.032 0.000 1.066 7 T HN 0.107 nan 8.240 nan 0.000 0.518 8 V N 8.263 128.175 119.914 -0.002 0.000 2.370 8 V HA 0.319 4.439 4.120 0.000 0.000 0.279 8 V C -1.700 174.434 176.094 0.067 0.000 1.029 8 V CA -1.827 60.480 62.300 0.012 0.000 0.870 8 V CB 1.344 33.137 31.823 -0.050 0.000 0.984 8 V HN 0.764 nan 8.190 nan 0.000 0.451 9 P HA 0.111 nan 4.420 nan 0.000 0.267 9 P C -0.691 176.742 177.300 0.222 0.000 1.205 9 P CA 0.250 63.445 63.100 0.158 0.000 0.765 9 P CB 1.212 33.009 31.700 0.161 0.000 0.828 10 V N 0.745 120.806 119.914 0.245 0.000 2.419 10 V HA 0.503 4.623 4.120 0.000 0.000 0.287 10 V C -0.368 176.017 176.094 0.486 0.000 1.017 10 V CA -0.886 61.611 62.300 0.328 0.000 0.844 10 V CB 1.407 33.248 31.823 0.030 0.000 1.011 10 V HN 0.414 nan 8.190 nan 0.000 0.429 11 K N 3.731 124.476 120.400 0.574 0.000 2.123 11 K HA 0.695 5.015 4.320 0.000 0.000 0.259 11 K C -0.991 175.656 176.600 0.079 0.000 0.960 11 K CA -1.062 55.355 56.287 0.217 0.000 0.872 11 K CB 1.904 34.395 32.500 -0.014 0.000 1.079 11 K HN 0.752 nan 8.250 nan 0.000 0.440 12 L N 4.261 125.570 121.223 0.144 0.000 2.367 12 L HA 0.149 4.489 4.340 0.000 0.000 0.275 12 L C -0.122 176.678 176.870 -0.116 0.000 1.129 12 L CA 0.370 55.237 54.840 0.044 0.000 0.839 12 L CB 0.694 42.731 42.059 -0.037 0.000 1.133 12 L HN 0.566 nan 8.230 nan 0.000 0.453 13 K N 6.341 126.646 120.400 -0.159 0.000 2.539 13 K HA -0.097 4.223 4.320 0.000 0.000 0.271 13 K C -2.106 174.407 176.600 -0.146 0.000 1.004 13 K CA -0.699 55.474 56.287 -0.190 0.000 1.117 13 K CB -0.418 31.997 32.500 -0.141 0.000 0.815 13 K HN 0.439 nan 8.250 nan 0.000 0.481 14 P HA -0.221 nan 4.420 nan 0.000 0.263 14 P C 0.885 178.137 177.300 -0.081 0.000 1.168 14 P CA 1.283 64.318 63.100 -0.107 0.000 0.759 14 P CB 0.599 32.236 31.700 -0.105 0.000 0.782 15 G N 2.218 110.980 108.800 -0.063 0.000 2.498 15 G HA2 -0.274 3.686 3.960 0.000 0.000 0.229 15 G HA3 -0.274 3.686 3.960 0.000 0.000 0.229 15 G C 0.522 175.389 174.900 -0.055 0.000 1.156 15 G CA 0.386 45.456 45.100 -0.050 0.000 0.680 15 G HN 0.504 nan 8.290 nan 0.000 0.512 16 M N 0.547 120.103 119.600 -0.073 0.000 1.876 16 M HA 0.569 5.050 4.480 0.000 0.000 0.216 16 M C 0.280 176.502 176.300 -0.130 0.000 1.334 16 M CA 0.486 55.733 55.300 -0.089 0.000 0.951 16 M CB -0.006 32.537 32.600 -0.095 0.000 1.271 16 M HN 0.330 nan 8.290 nan 0.000 0.414 17 D N -1.531 118.760 120.400 -0.181 0.000 2.626 17 D HA 0.507 5.147 4.640 0.000 0.000 0.278 17 D C -0.838 175.153 176.300 -0.515 0.000 1.211 17 D CA -0.177 53.634 54.000 -0.315 0.000 0.903 17 D CB 1.519 42.241 40.800 -0.130 0.000 1.408 17 D HN 0.702 nan 8.370 nan 0.000 0.454 18 G N 1.239 109.418 108.800 -1.035 0.000 2.398 18 G HA2 0.356 4.316 3.960 0.000 0.000 0.246 18 G HA3 0.356 4.316 3.960 0.000 0.000 0.246 18 G C -2.127 172.518 174.900 -0.425 0.000 1.289 18 G CA -0.723 43.705 45.100 -1.121 0.000 0.869 18 G HN 0.326 nan 8.290 nan 0.000 0.543 19 P HA -0.007 nan 4.420 nan 0.000 0.261 19 P C -0.252 177.133 177.300 0.142 0.000 1.165 19 P CA 0.477 63.602 63.100 0.041 0.000 0.759 19 P CB 0.716 32.480 31.700 0.105 0.000 0.772 20 K N 1.994 122.468 120.400 0.123 0.000 2.832 20 K HA 0.246 4.566 4.320 0.000 0.000 0.211 20 K C -0.270 176.385 176.600 0.091 0.000 1.112 20 K CA -0.486 55.877 56.287 0.127 0.000 1.108 20 K CB 0.640 33.200 32.500 0.102 0.000 0.899 20 K HN 0.253 nan 8.250 nan 0.000 0.464 21 V N 2.135 122.113 119.914 0.107 0.000 2.353 21 V HA 0.126 4.247 4.120 0.000 0.000 0.264 21 V C 0.469 176.611 176.094 0.080 0.000 1.049 21 V CA -0.216 62.133 62.300 0.083 0.000 0.896 21 V CB 0.662 32.540 31.823 0.092 0.000 1.025 21 V HN 0.260 nan 8.190 nan 0.000 0.475 22 K N 3.521 123.942 120.400 0.034 0.000 2.488 22 K HA 0.580 4.900 4.320 0.000 0.000 0.255 22 K C -0.132 176.479 176.600 0.019 0.000 1.036 22 K CA -0.613 55.688 56.287 0.023 0.000 0.990 22 K CB 0.782 33.263 32.500 -0.032 0.000 1.304 22 K HN 0.753 nan 8.250 nan 0.000 0.505 23 Q N 0.042 119.863 119.800 0.034 0.000 2.737 23 Q HA 0.295 4.635 4.340 0.000 0.000 0.307 23 Q C -1.929 174.204 176.000 0.222 0.000 0.905 23 Q CA -0.882 54.992 55.803 0.119 0.000 0.753 23 Q CB 1.077 29.881 28.738 0.111 0.000 1.463 23 Q HN 0.659 nan 8.270 nan 0.000 0.455 24 W N -0.091 121.201 121.300 -0.014 0.000 2.728 24 W HA 0.636 5.297 4.660 0.000 0.000 0.324 24 W C -2.783 173.737 176.519 0.001 0.000 1.012 24 W CA -2.705 54.640 57.345 0.001 0.000 1.279 24 W CB -1.406 28.055 29.460 0.001 0.000 1.289 24 W HN 0.480 nan 8.180 nan 0.000 0.418 25 P HA -0.181 nan 4.420 nan 0.000 0.274 25 P C 0.265 177.604 177.300 0.065 0.000 1.177 25 P CA 0.445 63.614 63.100 0.116 0.000 0.766 25 P CB 1.029 32.803 31.700 0.124 0.000 0.771 26 L N 1.039 122.317 121.223 0.091 0.000 3.108 26 L HA 0.110 4.450 4.340 0.000 0.000 0.251 26 L C 0.927 177.871 176.870 0.124 0.000 1.315 26 L CA 0.053 54.953 54.840 0.099 0.000 1.048 26 L CB -0.793 41.350 42.059 0.140 0.000 1.432 26 L HN 0.887 nan 8.230 nan 0.000 0.543 27 T N -3.273 111.339 114.554 0.097 0.000 0.595 27 T HA -0.377 3.973 4.350 0.000 0.000 0.770 27 T C 1.123 175.893 174.700 0.116 0.000 0.990 27 T CA 1.155 63.310 62.100 0.092 0.000 4.051 27 T CB -0.384 68.525 68.868 0.067 0.000 2.290 27 T HN 0.298 nan 8.240 nan 0.000 0.399 28 E N 1.186 121.443 120.200 0.095 0.000 2.169 28 E HA -0.126 4.224 4.350 0.000 0.000 0.202 28 E C 2.207 178.890 176.600 0.139 0.000 1.016 28 E CA 1.964 58.421 56.400 0.095 0.000 0.817 28 E CB -0.460 29.274 29.700 0.057 0.000 0.736 28 E HN 0.637 nan 8.360 nan 0.000 0.462 29 E N 0.539 120.842 120.200 0.171 0.000 2.049 29 E HA -0.174 4.176 4.350 0.000 0.000 0.198 29 E C 1.744 178.688 176.600 0.573 0.000 1.007 29 E CA 1.217 57.801 56.400 0.307 0.000 0.809 29 E CB -0.171 29.736 29.700 0.345 0.000 0.749 29 E HN 0.188 nan 8.360 nan 0.000 0.450 30 K N -0.169 120.456 120.400 0.375 0.000 1.987 30 K HA -0.115 4.206 4.320 0.000 0.000 0.222 30 K C 2.009 178.740 176.600 0.218 0.000 1.029 30 K CA 1.241 57.678 56.287 0.250 0.000 1.011 30 K CB -0.367 32.232 32.500 0.165 0.000 0.769 30 K HN -0.035 nan 8.250 nan 0.000 0.444 31 I N 2.126 122.798 120.570 0.170 0.000 2.130 31 I HA -0.409 3.761 4.170 0.000 0.000 0.241 31 I C 2.115 178.322 176.117 0.149 0.000 1.023 31 I CA 1.764 63.153 61.300 0.149 0.000 1.293 31 I CB -1.551 36.523 38.000 0.125 0.000 1.001 31 I HN 0.347 nan 8.210 nan 0.000 0.407 32 K N 0.763 121.252 120.400 0.149 0.000 2.074 32 K HA -0.132 4.189 4.320 0.000 0.000 0.209 32 K C 2.207 178.901 176.600 0.156 0.000 1.048 32 K CA 1.836 58.200 56.287 0.129 0.000 0.926 32 K CB -0.857 31.703 32.500 0.100 0.000 0.713 32 K HN 0.490 nan 8.250 nan 0.000 0.444 33 A N 0.746 123.714 122.820 0.246 0.000 1.872 33 A HA -0.073 4.247 4.320 0.000 0.000 0.214 33 A C 1.602 179.292 177.584 0.178 0.000 1.187 33 A CA 0.821 53.034 52.037 0.293 0.000 0.614 33 A CB -0.348 19.025 19.000 0.623 0.000 0.826 33 A HN 0.161 nan 8.150 nan 0.000 0.442 34 L N 0.370 121.681 121.223 0.148 0.000 2.873 34 L HA 0.148 4.488 4.340 0.000 0.000 0.252 34 L C 0.717 177.650 176.870 0.105 0.000 1.266 34 L CA 0.620 55.519 54.840 0.098 0.000 1.111 34 L CB 0.061 42.177 42.059 0.095 0.000 1.440 34 L HN 0.209 nan 8.230 nan 0.000 0.427 35 V N -2.641 117.333 119.914 0.100 0.000 3.744 35 V HA 0.041 4.161 4.120 0.000 0.000 0.183 35 V C 1.664 177.805 176.094 0.078 0.000 1.397 35 V CA -0.161 62.200 62.300 0.101 0.000 1.244 35 V CB 0.090 31.983 31.823 0.117 0.000 1.227 35 V HN 0.170 nan 8.190 nan 0.000 0.569 36 E N 0.509 120.755 120.200 0.077 0.000 2.393 36 E HA -0.162 4.188 4.350 0.000 0.000 0.201 36 E C 1.646 178.276 176.600 0.050 0.000 1.025 36 E CA 1.309 57.746 56.400 0.061 0.000 0.856 36 E CB 0.090 29.826 29.700 0.061 0.000 0.771 36 E HN 0.502 nan 8.360 nan 0.000 0.526 37 I N -0.743 119.854 120.570 0.046 0.000 3.136 37 I HA -0.052 4.118 4.170 0.000 0.000 0.262 37 I C 2.094 178.202 176.117 -0.015 0.000 1.132 37 I CA 0.177 61.491 61.300 0.024 0.000 1.450 37 I CB -0.448 37.569 38.000 0.029 0.000 1.315 37 I HN 0.020 nan 8.210 nan 0.000 0.460 38 C N 0.726 120.000 119.300 -0.042 0.000 2.409 38 C HA -0.140 4.320 4.460 0.000 0.000 0.288 38 C C 2.629 177.542 174.990 -0.130 0.000 1.395 38 C CA 1.689 60.583 59.018 -0.206 0.000 1.792 38 C CB -1.298 26.264 27.740 -0.297 0.000 1.847 38 C HN 0.507 nan 8.230 nan 0.000 0.534 39 T N 0.015 114.584 114.554 0.025 0.000 3.043 39 T HA -0.047 4.303 4.350 0.000 0.000 0.263 39 T C 1.422 176.150 174.700 0.047 0.000 1.094 39 T CA 0.909 63.059 62.100 0.083 0.000 1.127 39 T CB -0.164 68.752 68.868 0.081 0.000 0.905 39 T HN 0.548 nan 8.240 nan 0.000 0.490 40 E N 0.862 121.072 120.200 0.018 0.000 2.479 40 E HA 0.219 4.569 4.350 0.000 0.000 0.193 40 E C 1.359 177.963 176.600 0.006 0.000 1.049 40 E CA 0.057 56.467 56.400 0.017 0.000 0.870 40 E CB -0.093 29.618 29.700 0.018 0.000 0.944 40 E HN 0.420 nan 8.360 nan 0.000 0.492 41 M N 0.468 120.052 119.600 -0.028 0.000 2.659 41 M HA 0.002 4.482 4.480 0.000 0.000 0.243 41 M C 0.505 176.807 176.300 0.003 0.000 1.111 41 M CA 0.970 56.239 55.300 -0.052 0.000 1.070 41 M CB -0.248 32.221 32.600 -0.219 0.000 1.525 41 M HN 0.129 nan 8.290 nan 0.000 0.517 42 E N -1.057 119.162 120.200 0.030 0.000 3.874 42 E HA 0.116 4.467 4.350 0.000 0.000 0.216 42 E C 1.283 177.903 176.600 0.034 0.000 1.307 42 E CA -0.645 55.780 56.400 0.042 0.000 1.536 42 E CB 0.127 29.865 29.700 0.062 0.000 1.996 42 E HN -0.054 nan 8.360 nan 0.000 0.602 43 K N 0.715 121.136 120.400 0.035 0.000 2.444 43 K HA -0.146 4.174 4.320 0.000 0.000 0.200 43 K C 0.482 177.097 176.600 0.025 0.000 1.045 43 K CA 1.179 57.484 56.287 0.029 0.000 0.934 43 K CB 0.046 32.563 32.500 0.030 0.000 0.756 43 K HN 0.088 nan 8.250 nan 0.000 0.477 44 E N -0.651 119.564 120.200 0.026 0.000 4.017 44 E HA 0.235 4.585 4.350 0.000 0.000 0.205 44 E C -1.104 175.512 176.600 0.027 0.000 1.054 44 E CA -0.098 56.317 56.400 0.024 0.000 1.398 44 E CB 0.436 30.150 29.700 0.023 0.000 1.164 44 E HN 0.230 nan 8.360 nan 0.000 0.445 45 G N 2.325 111.142 108.800 0.028 0.000 3.224 45 G HA2 -0.166 3.794 3.960 0.000 0.000 0.684 45 G HA3 -0.166 3.794 3.960 0.000 0.000 0.684 45 G C -0.815 174.107 174.900 0.035 0.000 1.180 45 G CA -0.712 44.407 45.100 0.033 0.000 1.099 45 G HN 0.149 nan 8.290 nan 0.000 0.476 46 K N 2.112 122.533 120.400 0.035 0.000 2.294 46 K HA 0.346 4.666 4.320 0.000 0.000 0.288 46 K C 1.218 177.844 176.600 0.045 0.000 1.072 46 K CA -0.154 56.154 56.287 0.036 0.000 0.960 46 K CB 0.694 33.213 32.500 0.032 0.000 1.043 46 K HN 0.512 nan 8.250 nan 0.000 0.455 47 I N 0.906 121.504 120.570 0.046 0.000 4.018 47 I HA -0.058 4.112 4.170 0.000 0.000 0.337 47 I C 0.295 176.442 176.117 0.050 0.000 1.327 47 I CA -0.013 61.332 61.300 0.075 0.000 1.100 47 I CB 0.245 38.309 38.000 0.106 0.000 1.025 47 I HN 0.535 nan 8.210 nan 0.000 0.396 48 S N -0.003 115.693 115.700 -0.006 0.000 2.587 48 S HA 0.573 5.043 4.470 0.000 0.000 0.269 48 S C -1.226 173.397 174.600 0.038 0.000 1.154 48 S CA -0.995 57.172 58.200 -0.056 0.000 0.824 48 S CB 2.720 65.748 63.200 -0.287 0.000 1.118 48 S HN -0.128 nan 8.310 nan 0.000 0.462 49 K N 1.193 121.620 120.400 0.044 0.000 2.422 49 K HA 0.512 4.833 4.320 0.000 0.000 0.251 49 K C -0.698 175.874 176.600 -0.047 0.000 0.933 49 K CA -0.576 55.727 56.287 0.027 0.000 0.798 49 K CB 1.871 34.365 32.500 -0.010 0.000 1.238 49 K HN 0.794 nan 8.250 nan 0.000 0.428 50 I N 0.916 121.379 120.570 -0.178 0.000 2.648 50 I HA 0.173 4.343 4.170 0.000 0.000 0.284 50 I C 0.852 176.832 176.117 -0.229 0.000 1.153 50 I CA 0.460 61.513 61.300 -0.412 0.000 1.426 50 I CB 0.626 38.348 38.000 -0.463 0.000 1.381 50 I HN 0.768 nan 8.210 nan 0.000 0.571 51 G N 7.656 116.321 108.800 -0.225 0.000 4.377 51 G HA2 0.195 4.155 3.960 0.000 0.000 0.251 51 G HA3 0.195 4.155 3.960 0.000 0.000 0.251 51 G C -1.803 173.015 174.900 -0.137 0.000 2.912 51 G CA -0.226 44.789 45.100 -0.141 0.000 0.606 51 G HN 0.465 nan 8.290 nan 0.000 0.282 52 P HA -0.034 nan 4.420 nan 0.000 0.221 52 P C 0.249 177.499 177.300 -0.083 0.000 1.150 52 P CA 1.045 64.070 63.100 -0.126 0.000 0.800 52 P CB 0.933 32.546 31.700 -0.144 0.000 0.787 53 E N -0.833 119.320 120.200 -0.077 0.000 2.283 53 E HA 0.324 4.674 4.350 0.000 0.000 0.258 53 E C -0.010 176.547 176.600 -0.071 0.000 0.893 53 E CA -0.452 55.907 56.400 -0.069 0.000 0.798 53 E CB 0.831 30.494 29.700 -0.062 0.000 1.242 53 E HN -0.130 nan 8.360 nan 0.000 0.414 54 N N 2.500 121.148 118.700 -0.087 0.000 2.460 54 N HA -0.080 4.660 4.740 0.000 0.000 0.301 54 N C -1.961 173.444 175.510 -0.175 0.000 1.649 54 N CA 0.231 53.216 53.050 -0.108 0.000 3.272 54 N CB -0.778 37.664 38.487 -0.076 0.000 1.529 54 N HN 0.340 nan 8.380 nan 0.000 1.134 55 P HA 0.274 nan 4.420 nan 0.000 0.339 55 P C 0.381 177.505 177.300 -0.293 0.000 1.376 55 P CA 0.351 63.379 63.100 -0.120 0.000 0.797 55 P CB 0.215 31.965 31.700 0.084 0.000 1.872 56 Y N -2.284 118.067 120.300 0.084 0.000 2.901 56 Y HA 0.403 4.954 4.550 0.000 0.000 0.160 56 Y C 0.866 176.824 175.900 0.096 0.000 0.910 56 Y CA -0.079 58.072 58.100 0.085 0.000 1.697 56 Y CB -0.482 38.039 38.460 0.100 0.000 1.198 56 Y HN 0.260 nan 8.280 nan 0.000 0.416 57 N N -3.102 115.806 118.700 0.347 0.000 3.501 57 N HA 0.389 5.129 4.740 0.000 0.000 0.275 57 N C -1.848 173.852 175.510 0.317 0.000 1.320 57 N CA 0.003 53.223 53.050 0.284 0.000 0.776 57 N CB 0.931 39.542 38.487 0.208 0.000 1.623 57 N HN 0.361 nan 8.380 nan 0.000 0.377 58 T N 0.124 114.877 114.554 0.332 0.000 2.886 58 T HA 0.353 4.703 4.350 0.000 0.000 0.341 58 T C -3.145 171.700 174.700 0.242 0.000 1.839 58 T CA -0.483 61.814 62.100 0.329 0.000 1.052 58 T CB 1.743 70.926 68.868 0.525 0.000 1.715 58 T HN 0.384 nan 8.240 nan 0.000 0.504 59 P HA 0.245 nan 4.420 nan 0.000 0.263 59 P C -0.400 176.893 177.300 -0.012 0.000 1.247 59 P CA -0.062 63.070 63.100 0.054 0.000 0.876 59 P CB -0.127 31.588 31.700 0.024 0.000 0.928 60 V N 5.419 125.373 119.914 0.066 0.000 2.567 60 V HA 0.578 4.698 4.120 0.000 0.000 0.289 60 V C 0.021 176.213 176.094 0.163 0.000 1.049 60 V CA -0.212 62.123 62.300 0.059 0.000 0.969 60 V CB 0.706 32.649 31.823 0.200 0.000 0.995 60 V HN 0.491 nan 8.190 nan 0.000 0.471 61 F N 2.335 122.210 119.950 -0.124 0.000 2.680 61 F HA 0.676 5.203 4.527 0.000 0.000 0.315 61 F C -0.853 174.818 175.800 -0.215 0.000 1.099 61 F CA -0.987 56.927 58.000 -0.142 0.000 1.033 61 F CB 0.750 39.666 39.000 -0.140 0.000 1.285 61 F HN 0.786 nan 8.300 nan 0.000 0.457 62 A N 4.485 127.131 122.820 -0.290 0.000 2.342 62 A HA 1.012 5.332 4.320 0.000 0.000 0.323 62 A C -0.484 176.493 177.584 -1.012 0.000 1.125 62 A CA 0.298 51.965 52.037 -0.616 0.000 0.785 62 A CB 0.813 19.501 19.000 -0.520 0.000 1.221 62 A HN 1.885 nan 8.150 nan 0.000 0.463 63 I N 0.360 120.345 120.570 -0.975 0.000 3.204 63 I HA 0.925 5.095 4.170 0.000 0.000 0.255 63 I C 1.129 176.818 176.117 -0.714 0.000 0.500 63 I CA 0.665 61.439 61.300 -0.876 0.000 3.141 63 I CB -1.352 36.225 38.000 -0.704 0.000 1.514 63 I HN 2.276 nan 8.210 nan 0.000 0.540 64 K N -0.667 119.525 120.400 -0.346 0.000 6.826 64 K HA 0.550 4.870 4.320 0.000 0.000 0.788 64 K C -0.327 176.311 176.600 0.064 0.000 2.287 64 K CA 1.497 57.721 56.287 -0.105 0.000 1.704 64 K CB -2.576 29.908 32.500 -0.026 0.000 2.053 64 K HN 3.043 nan 8.250 nan 0.000 0.296 65 K N -1.132 119.291 120.400 0.038 0.000 2.653 65 K HA 1.073 5.393 4.320 0.000 0.000 0.274 65 K C 0.054 176.671 176.600 0.029 0.000 0.974 65 K CA 0.878 57.207 56.287 0.070 0.000 0.868 65 K CB -0.045 32.509 32.500 0.090 0.000 1.408 65 K HN 2.626 nan 8.250 nan 0.000 0.397 66 K N -1.350 119.069 120.400 0.031 0.000 5.808 66 K HA 0.363 4.683 4.320 0.000 0.000 0.239 66 K C 0.452 177.063 176.600 0.019 0.000 2.192 66 K CA 1.500 57.798 56.287 0.018 0.000 1.265 66 K CB -1.521 30.983 32.500 0.007 0.000 2.077 66 K HN 2.421 nan 8.250 nan 0.000 0.365 67 D N -0.284 120.127 120.400 0.018 0.000 2.934 67 D HA 0.826 5.466 4.640 0.000 0.000 0.249 67 D C 0.165 176.477 176.300 0.019 0.000 1.293 67 D CA 1.330 55.340 54.000 0.018 0.000 0.812 67 D CB -0.182 40.628 40.800 0.016 0.000 1.439 67 D HN 1.767 nan 8.370 nan 0.000 0.555 68 S N -1.241 114.473 115.700 0.023 0.000 3.407 68 S HA 0.851 5.321 4.470 0.000 0.000 0.315 68 S C 0.675 175.291 174.600 0.026 0.000 1.211 68 S CA 0.505 58.720 58.200 0.025 0.000 1.148 68 S CB 0.823 64.039 63.200 0.028 0.000 1.511 68 S HN 0.568 nan 8.310 nan 0.000 0.604 69 T N 0.872 115.446 114.554 0.032 0.000 3.412 69 T HA 0.299 4.649 4.350 0.000 0.000 0.305 69 T C -0.535 174.187 174.700 0.038 0.000 0.892 69 T CA 0.249 62.364 62.100 0.026 0.000 0.936 69 T CB -0.268 68.608 68.868 0.013 0.000 1.202 69 T HN 0.859 nan 8.240 nan 0.000 0.621 70 K N -0.064 120.380 120.400 0.073 0.000 2.550 70 K HA 0.375 4.695 4.320 0.000 0.000 0.252 70 K C -1.624 175.106 176.600 0.217 0.000 0.943 70 K CA -0.804 55.549 56.287 0.110 0.000 0.806 70 K CB 1.204 33.748 32.500 0.073 0.000 1.289 70 K HN -0.126 nan 8.250 nan 0.000 0.435 71 W N 4.644 125.927 121.300 -0.027 0.000 2.838 71 W HA 0.087 4.747 4.660 0.000 0.000 0.412 71 W C 0.102 176.590 176.519 -0.052 0.000 1.236 71 W CA -0.060 57.262 57.345 -0.039 0.000 1.501 71 W CB -0.395 29.048 29.460 -0.027 0.000 1.617 71 W HN 0.540 nan 8.180 nan 0.000 0.496 72 R N 2.654 123.132 120.500 -0.036 0.000 2.643 72 R HA 0.139 4.479 4.340 0.000 0.000 0.270 72 R C 0.574 176.719 176.300 -0.259 0.000 1.061 72 R CA -0.184 55.840 56.100 -0.127 0.000 1.107 72 R CB 0.719 30.943 30.300 -0.127 0.000 0.999 72 R HN 0.233 nan 8.270 nan 0.000 0.460 73 K N 1.821 122.102 120.400 -0.198 0.000 2.095 73 K HA 0.464 4.784 4.320 0.000 0.000 0.252 73 K C -1.301 175.130 176.600 -0.282 0.000 0.977 73 K CA -0.713 55.436 56.287 -0.230 0.000 0.900 73 K CB 0.819 33.240 32.500 -0.131 0.000 1.060 73 K HN 0.265 nan 8.250 nan 0.000 0.449 74 L N 3.095 124.127 121.223 -0.319 0.000 2.526 74 L HA 0.399 4.740 4.340 0.000 0.000 0.263 74 L C -1.812 174.874 176.870 -0.307 0.000 0.943 74 L CA -0.492 54.149 54.840 -0.331 0.000 0.859 74 L CB 1.906 43.699 42.059 -0.444 0.000 1.313 74 L HN 0.431 nan 8.230 nan 0.000 0.406 75 V N 0.398 120.037 119.914 -0.457 0.000 3.020 75 V HA 0.467 4.587 4.120 0.000 0.000 0.275 75 V C -0.952 174.453 176.094 -1.149 0.000 0.868 75 V CA -0.431 61.437 62.300 -0.720 0.000 1.087 75 V CB 0.603 31.835 31.823 -0.985 0.000 0.954 75 V HN 0.680 nan 8.190 nan 0.000 0.495 76 D N 3.866 123.934 120.400 -0.553 0.000 2.881 76 D HA 0.309 4.949 4.640 0.000 0.000 0.240 76 D C 0.470 176.806 176.300 0.059 0.000 1.249 76 D CA -0.398 53.436 54.000 -0.275 0.000 0.839 76 D CB -0.285 40.474 40.800 -0.068 0.000 1.042 76 D HN 0.601 nan 8.370 nan 0.000 0.475 77 F N -0.015 119.975 119.950 0.067 0.000 2.016 77 F HA -0.207 4.320 4.527 0.000 0.000 0.449 77 F C 1.524 177.398 175.800 0.124 0.000 0.873 77 F CA -0.367 57.694 58.000 0.101 0.000 0.980 77 F CB -0.195 38.885 39.000 0.133 0.000 0.765 77 F HN -0.032 nan 8.300 nan 0.000 0.495 78 R N 2.026 122.689 120.500 0.271 0.000 2.210 78 R HA -0.014 4.326 4.340 0.000 0.000 0.203 78 R C 1.726 178.128 176.300 0.169 0.000 1.010 78 R CA 0.658 56.878 56.100 0.200 0.000 1.008 78 R CB -0.114 30.261 30.300 0.125 0.000 0.923 78 R HN 0.705 nan 8.270 nan 0.000 0.469 79 E N 1.011 121.312 120.200 0.169 0.000 2.016 79 E HA -0.042 4.308 4.350 0.000 0.000 0.190 79 E C 1.930 178.602 176.600 0.120 0.000 0.985 79 E CA 0.572 57.042 56.400 0.116 0.000 0.802 79 E CB -0.201 29.555 29.700 0.093 0.000 0.762 79 E HN 0.070 nan 8.360 nan 0.000 0.448 80 L N 1.066 122.387 121.223 0.164 0.000 2.013 80 L HA -0.298 4.042 4.340 0.000 0.000 0.212 80 L C 2.238 179.246 176.870 0.231 0.000 1.073 80 L CA 1.561 56.504 54.840 0.171 0.000 0.753 80 L CB -0.435 41.729 42.059 0.175 0.000 0.890 80 L HN 0.307 nan 8.230 nan 0.000 0.432 81 N N 0.438 119.294 118.700 0.261 0.000 2.133 81 N HA -0.268 4.472 4.740 0.000 0.000 0.193 81 N C 1.546 177.114 175.510 0.096 0.000 1.012 81 N CA 1.817 54.985 53.050 0.196 0.000 0.871 81 N CB -0.027 38.592 38.487 0.221 0.000 1.011 81 N HN 0.476 nan 8.380 nan 0.000 0.435 82 K N -0.054 120.398 120.400 0.088 0.000 2.379 82 K HA 0.144 4.465 4.320 0.000 0.000 0.194 82 K C 0.842 177.450 176.600 0.014 0.000 1.031 82 K CA 0.119 56.429 56.287 0.040 0.000 1.037 82 K CB 0.433 32.955 32.500 0.037 0.000 0.824 82 K HN 0.087 nan 8.250 nan 0.000 0.516 83 R N 0.741 121.257 120.500 0.027 0.000 2.480 83 R HA 0.093 4.434 4.340 0.000 0.000 0.277 83 R C 0.487 176.785 176.300 -0.004 0.000 1.008 83 R CA 0.539 56.631 56.100 -0.014 0.000 1.090 83 R CB 0.262 30.528 30.300 -0.056 0.000 1.234 83 R HN 0.216 nan 8.270 nan 0.000 0.549 84 T N -5.619 108.936 114.554 0.001 0.000 3.285 84 T HA -0.034 4.317 4.350 0.000 0.000 0.263 84 T C 1.400 176.027 174.700 -0.122 0.000 0.836 84 T CA -0.462 61.623 62.100 -0.024 0.000 0.849 84 T CB -0.095 68.861 68.868 0.146 0.000 1.252 84 T HN -0.170 nan 8.240 nan 0.000 0.617 85 Q N 1.983 121.724 119.800 -0.098 0.000 2.224 85 Q HA -0.175 4.166 4.340 0.000 0.000 0.213 85 Q C 1.760 177.686 176.000 -0.123 0.000 0.998 85 Q CA 2.112 57.847 55.803 -0.112 0.000 0.895 85 Q CB -0.722 27.989 28.738 -0.045 0.000 0.926 85 Q HN 0.485 nan 8.270 nan 0.000 0.417 86 D N -1.244 119.087 120.400 -0.115 0.000 2.221 86 D HA -0.150 4.490 4.640 0.000 0.000 0.204 86 D C 1.283 177.511 176.300 -0.119 0.000 0.982 86 D CA 0.247 54.192 54.000 -0.091 0.000 0.857 86 D CB -0.154 40.591 40.800 -0.091 0.000 0.934 86 D HN 0.157 nan 8.370 nan 0.000 0.475 87 F N 0.623 120.290 119.950 -0.472 0.000 2.104 87 F HA -0.263 4.264 4.527 0.000 0.000 0.289 87 F C 0.560 175.987 175.800 -0.621 0.000 1.115 87 F CA 1.424 58.968 58.000 -0.760 0.000 1.273 87 F CB -1.146 36.992 39.000 -1.437 0.000 0.933 87 F HN -0.023 nan 8.300 nan 0.000 0.517 88 W N 0.047 121.367 121.300 0.032 0.000 2.166 88 W HA 0.454 5.114 4.660 0.000 0.000 0.364 88 W C 0.052 176.548 176.519 -0.038 0.000 1.344 88 W CA -0.878 56.415 57.345 -0.088 0.000 1.471 88 W CB -0.154 29.165 29.460 -0.235 0.000 1.220 88 W HN -0.112 nan 8.180 nan 0.000 0.666 89 E N 1.058 121.383 120.200 0.208 0.000 2.229 89 E HA 0.311 4.662 4.350 0.000 0.000 0.283 89 E C -0.554 176.105 176.600 0.098 0.000 1.030 89 E CA -0.711 55.757 56.400 0.113 0.000 0.836 89 E CB 0.773 30.520 29.700 0.077 0.000 1.068 89 E HN 0.386 nan 8.360 nan 0.000 0.401 90 V N 2.901 122.860 119.914 0.076 0.000 2.715 90 V HA 0.175 4.295 4.120 0.000 0.000 0.299 90 V C 0.380 176.501 176.094 0.045 0.000 1.054 90 V CA -0.778 61.556 62.300 0.056 0.000 1.077 90 V CB 1.156 33.009 31.823 0.050 0.000 0.972 90 V HN 0.810 nan 8.190 nan 0.000 0.484 91 Q N 3.905 123.726 119.800 0.035 0.000 2.274 91 Q HA 0.320 4.660 4.340 0.000 0.000 0.280 91 Q C -1.133 174.923 176.000 0.094 0.000 1.047 91 Q CA 0.021 55.861 55.803 0.062 0.000 0.907 91 Q CB 0.714 29.473 28.738 0.035 0.000 1.171 91 Q HN 0.918 nan 8.270 nan 0.000 0.381 92 L N 3.833 125.123 121.223 0.111 0.000 2.635 92 L HA 0.534 4.874 4.340 0.000 0.000 0.251 92 L C -1.201 175.719 176.870 0.083 0.000 1.056 92 L CA 0.165 55.062 54.840 0.095 0.000 0.936 92 L CB 1.021 43.117 42.059 0.061 0.000 1.162 92 L HN 0.829 nan 8.230 nan 0.000 0.481 93 G N 2.917 111.771 108.800 0.089 0.000 2.442 93 G HA2 0.524 4.484 3.960 0.000 0.000 0.296 93 G HA3 0.524 4.484 3.960 0.000 0.000 0.296 93 G C -2.476 172.428 174.900 0.008 0.000 1.564 93 G CA -0.542 44.592 45.100 0.055 0.000 0.828 93 G HN 0.209 nan 8.290 nan 0.000 0.571 94 I N 1.698 122.264 120.570 -0.007 0.000 2.531 94 I HA 0.501 4.671 4.170 0.000 0.000 0.283 94 I C -2.318 173.803 176.117 0.006 0.000 1.083 94 I CA -2.317 58.958 61.300 -0.043 0.000 1.071 94 I CB 2.137 40.088 38.000 -0.081 0.000 1.210 94 I HN 0.249 nan 8.210 nan 0.000 0.450 95 P HA 0.193 nan 4.420 nan 0.000 0.276 95 P C -0.888 176.362 177.300 -0.084 0.000 1.253 95 P CA 0.056 63.101 63.100 -0.091 0.000 0.766 95 P CB 0.175 31.710 31.700 -0.274 0.000 0.845 96 H N 5.026 123.929 119.070 -0.279 0.000 2.800 96 H HA 0.098 4.654 4.556 0.000 0.000 0.291 96 H C -1.421 173.557 175.328 -0.583 0.000 1.076 96 H CA -2.133 53.666 56.048 -0.415 0.000 1.452 96 H CB 1.007 30.568 29.762 -0.335 0.000 1.461 96 H HN 0.295 nan 8.280 nan 0.000 0.488 97 P HA -0.290 nan 4.420 nan 0.000 0.219 97 P C 1.222 177.906 177.300 -1.027 0.000 1.153 97 P CA 2.211 64.711 63.100 -1.000 0.000 0.865 97 P CB 0.050 30.787 31.700 -1.605 0.000 0.788 98 A N -1.123 120.709 122.820 -1.648 0.000 2.104 98 A HA -0.167 4.153 4.320 0.000 0.000 0.223 98 A C 2.216 179.818 177.584 0.029 0.000 1.164 98 A CA 2.248 53.795 52.037 -0.817 0.000 0.659 98 A CB -1.461 17.070 19.000 -0.783 0.000 0.808 98 A HN 0.383 nan 8.150 nan 0.000 0.465 99 G N -2.144 106.547 108.800 -0.182 0.000 2.759 99 G HA2 0.383 4.343 3.960 0.000 0.000 0.208 99 G HA3 0.383 4.343 3.960 0.000 0.000 0.208 99 G C 0.117 175.011 174.900 -0.008 0.000 1.076 99 G CA -0.318 44.833 45.100 0.086 0.000 0.789 99 G HN 0.234 nan 8.290 nan 0.000 0.546 100 L N 2.681 123.771 121.223 -0.221 0.000 2.700 100 L HA 0.125 4.465 4.340 0.000 0.000 0.272 100 L C 0.864 177.553 176.870 -0.302 0.000 1.176 100 L CA 0.219 54.858 54.840 -0.335 0.000 0.961 100 L CB -0.264 41.454 42.059 -0.570 0.000 1.249 100 L HN 0.120 nan 8.230 nan 0.000 0.487 101 K N 3.135 123.449 120.400 -0.143 0.000 2.234 101 K HA 0.050 4.370 4.320 0.000 0.000 0.251 101 K C 0.304 176.813 176.600 -0.151 0.000 1.011 101 K CA -0.240 56.017 56.287 -0.050 0.000 0.889 101 K CB 0.453 32.948 32.500 -0.009 0.000 1.011 101 K HN 0.386 nan 8.250 nan 0.000 0.505 102 K N 2.045 122.456 120.400 0.018 0.000 2.258 102 K HA 0.075 4.395 4.320 0.000 0.000 0.284 102 K C -0.542 176.077 176.600 0.031 0.000 1.051 102 K CA -0.402 55.915 56.287 0.050 0.000 0.923 102 K CB 0.663 33.352 32.500 0.315 0.000 1.046 102 K HN 0.230 nan 8.250 nan 0.000 0.474 103 K N 3.007 123.402 120.400 -0.007 0.000 2.139 103 K HA 0.119 4.439 4.320 0.000 0.000 0.243 103 K C 0.514 177.136 176.600 0.037 0.000 0.983 103 K CA -0.564 55.737 56.287 0.024 0.000 0.890 103 K CB 1.580 34.093 32.500 0.022 0.000 1.090 103 K HN 0.454 nan 8.250 nan 0.000 0.445 104 K N 0.522 120.949 120.400 0.046 0.000 2.007 104 K HA 0.015 4.336 4.320 0.000 0.000 0.206 104 K C -0.045 176.526 176.600 -0.048 0.000 1.047 104 K CA 1.306 57.608 56.287 0.024 0.000 0.937 104 K CB 0.165 32.691 32.500 0.044 0.000 0.718 104 K HN 0.463 nan 8.250 nan 0.000 0.438 105 S N 0.019 115.652 115.700 -0.112 0.000 2.571 105 S HA 0.502 4.973 4.470 0.000 0.000 0.284 105 S C -1.045 173.401 174.600 -0.256 0.000 1.128 105 S CA -0.727 57.301 58.200 -0.288 0.000 0.970 105 S CB 1.888 64.767 63.200 -0.536 0.000 1.039 105 S HN 0.186 nan 8.310 nan 0.000 0.485 106 V N 0.243 120.101 119.914 -0.093 0.000 3.158 106 V HA 1.004 5.124 4.120 0.000 0.000 0.315 106 V C -0.452 175.700 176.094 0.097 0.000 1.148 106 V CA -0.430 61.903 62.300 0.054 0.000 1.042 106 V CB 1.870 33.741 31.823 0.081 0.000 1.101 106 V HN 0.774 nan 8.190 nan 0.000 0.448 107 T N 0.434 115.022 114.554 0.057 0.000 2.885 107 T HA 0.460 4.810 4.350 0.000 0.000 0.322 107 T C -1.477 173.044 174.700 -0.298 0.000 1.387 107 T CA -0.198 61.898 62.100 -0.006 0.000 1.041 107 T CB 1.871 70.771 68.868 0.053 0.000 1.287 107 T HN 1.188 nan 8.240 nan 0.000 0.491 108 V N 4.323 123.940 119.914 -0.495 0.000 2.266 108 V HA 0.485 4.605 4.120 0.000 0.000 0.266 108 V C -0.775 175.073 176.094 -0.410 0.000 1.036 108 V CA -0.565 61.259 62.300 -0.793 0.000 0.828 108 V CB -0.169 30.638 31.823 -1.694 0.000 1.081 108 V HN 0.708 nan 8.190 nan 0.000 0.449 109 L N 6.610 127.678 121.223 -0.258 0.000 2.410 109 L HA 0.362 4.702 4.340 0.000 0.000 0.273 109 L C 0.840 177.620 176.870 -0.150 0.000 1.144 109 L CA 0.032 54.784 54.840 -0.147 0.000 0.863 109 L CB 0.458 42.455 42.059 -0.104 0.000 1.140 109 L HN 0.633 nan 8.230 nan 0.000 0.463 110 D N 2.881 123.217 120.400 -0.106 0.000 2.411 110 D HA 0.339 4.979 4.640 0.000 0.000 0.251 110 D C -0.446 175.825 176.300 -0.049 0.000 1.201 110 D CA -0.464 53.489 54.000 -0.077 0.000 0.996 110 D CB 1.920 42.692 40.800 -0.047 0.000 1.101 110 D HN 0.152 nan 8.370 nan 0.000 0.504 111 V N -0.224 119.670 119.914 -0.033 0.000 2.715 111 V HA 0.499 4.620 4.120 0.000 0.000 0.310 111 V C 1.204 177.292 176.094 -0.010 0.000 1.054 111 V CA -0.478 61.816 62.300 -0.009 0.000 0.928 111 V CB 1.532 33.375 31.823 0.033 0.000 1.007 111 V HN 0.844 nan 8.190 nan 0.000 0.437 112 G N 1.245 110.050 108.800 0.007 0.000 2.593 112 G HA2 0.043 4.004 3.960 0.000 0.000 0.279 112 G HA3 0.043 4.004 3.960 0.000 0.000 0.279 112 G C -0.130 174.770 174.900 -0.000 0.000 1.329 112 G CA -0.205 44.900 45.100 0.007 0.000 1.036 112 G HN 0.783 nan 8.290 nan 0.000 0.555 113 D N -0.238 120.163 120.400 0.002 0.000 2.383 113 D HA 0.323 4.963 4.640 0.000 0.000 0.275 113 D C 1.056 177.367 176.300 0.018 0.000 1.344 113 D CA 0.789 54.784 54.000 -0.008 0.000 0.984 113 D CB 0.468 41.273 40.800 0.009 0.000 1.104 113 D HN 0.399 nan 8.370 nan 0.000 0.524 114 A N 3.596 126.408 122.820 -0.014 0.000 1.901 114 A HA 0.052 4.372 4.320 0.000 0.000 0.210 114 A C 2.106 179.817 177.584 0.213 0.000 1.208 114 A CA 0.999 53.109 52.037 0.123 0.000 0.644 114 A CB -1.046 18.046 19.000 0.152 0.000 0.863 114 A HN 0.679 nan 8.150 nan 0.000 0.454 115 Y N -1.889 118.342 120.300 -0.114 0.000 2.715 115 Y HA 0.283 4.834 4.550 0.000 0.000 0.332 115 Y C 1.574 177.521 175.900 0.079 0.000 1.213 115 Y CA 1.149 59.253 58.100 0.007 0.000 1.304 115 Y CB -1.848 36.499 38.460 -0.189 0.000 1.041 115 Y HN 0.756 nan 8.280 nan 0.000 0.502 116 F N -1.149 118.858 119.950 0.095 0.000 2.871 116 F HA 0.260 4.787 4.527 0.000 0.000 0.344 116 F C 2.021 177.883 175.800 0.105 0.000 1.078 116 F CA 0.927 58.980 58.000 0.088 0.000 1.149 116 F CB -0.380 38.666 39.000 0.075 0.000 1.087 116 F HN 0.403 nan 8.300 nan 0.000 0.557 117 S N -0.167 115.606 115.700 0.122 0.000 2.355 117 S HA 0.099 4.569 4.470 0.000 0.000 0.216 117 S C 0.839 175.487 174.600 0.081 0.000 1.037 117 S CA 0.873 59.133 58.200 0.100 0.000 0.955 117 S CB -1.092 62.171 63.200 0.106 0.000 0.877 117 S HN 0.508 nan 8.310 nan 0.000 0.488 118 V N 5.625 125.585 119.914 0.078 0.000 2.720 118 V HA 0.161 4.281 4.120 0.000 0.000 0.307 118 V C -1.702 174.411 176.094 0.032 0.000 1.071 118 V CA -1.013 61.295 62.300 0.012 0.000 1.199 118 V CB -0.176 31.612 31.823 -0.059 0.000 0.900 118 V HN 0.485 nan 8.190 nan 0.000 0.494 119 P HA 0.351 nan 4.420 nan 0.000 0.277 119 P C -0.980 176.327 177.300 0.011 0.000 1.271 119 P CA -0.505 62.611 63.100 0.028 0.000 0.795 119 P CB 1.257 32.976 31.700 0.031 0.000 1.101 120 L N 0.534 121.767 121.223 0.016 0.000 2.410 120 L HA 0.415 4.756 4.340 0.000 0.000 0.270 120 L C 0.506 177.396 176.870 0.033 0.000 0.983 120 L CA -0.482 54.355 54.840 -0.006 0.000 0.822 120 L CB 0.794 42.819 42.059 -0.056 0.000 1.285 120 L HN 0.298 nan 8.230 nan 0.000 0.409 121 D N 2.002 122.428 120.400 0.044 0.000 3.758 121 D HA -0.280 4.361 4.640 0.000 0.000 0.267 121 D C 0.580 176.932 176.300 0.087 0.000 0.733 121 D CA 2.029 56.079 54.000 0.082 0.000 0.807 121 D CB 0.365 41.245 40.800 0.133 0.000 0.410 121 D HN 0.867 nan 8.370 nan 0.000 0.269 122 E N -2.069 118.196 120.200 0.108 0.000 2.067 122 E HA -0.016 4.334 4.350 0.000 0.000 0.219 122 E C -0.518 176.122 176.600 0.067 0.000 1.054 122 E CA -0.165 56.277 56.400 0.070 0.000 1.472 122 E CB 0.246 29.976 29.700 0.050 0.000 3.768 122 E HN 0.103 nan 8.360 nan 0.000 1.006 123 D N 0.324 120.790 120.400 0.110 0.000 2.870 123 D HA 0.179 4.819 4.640 0.000 0.000 0.241 123 D C -0.374 176.031 176.300 0.174 0.000 1.234 123 D CA 0.336 54.400 54.000 0.107 0.000 0.844 123 D CB 0.228 41.107 40.800 0.131 0.000 1.051 123 D HN 0.149 nan 8.370 nan 0.000 0.469 124 F N -0.294 119.582 119.950 -0.123 0.000 1.796 124 F HA 0.083 4.610 4.527 0.000 0.000 0.233 124 F C 1.577 177.107 175.800 -0.450 0.000 1.242 124 F CA -0.091 57.775 58.000 -0.224 0.000 1.308 124 F CB 0.139 39.175 39.000 0.059 0.000 1.920 124 F HN -0.289 nan 8.300 nan 0.000 0.237 125 R N 1.909 122.412 120.500 0.004 0.000 2.424 125 R HA -0.335 4.005 4.340 0.000 0.000 0.257 125 R C 1.918 178.085 176.300 -0.221 0.000 1.058 125 R CA 2.628 58.696 56.100 -0.054 0.000 0.959 125 R CB -1.309 29.002 30.300 0.019 0.000 0.886 125 R HN 0.521 nan 8.270 nan 0.000 0.476 126 K N 0.138 120.312 120.400 -0.376 0.000 2.228 126 K HA -0.207 4.113 4.320 0.000 0.000 0.205 126 K C 0.943 177.450 176.600 -0.156 0.000 1.045 126 K CA 2.019 58.142 56.287 -0.274 0.000 0.931 126 K CB -0.385 31.951 32.500 -0.275 0.000 0.727 126 K HN 0.411 nan 8.250 nan 0.000 0.458 127 Y N 2.109 122.283 120.300 -0.210 0.000 2.470 127 Y HA 0.111 4.661 4.550 0.000 0.000 0.284 127 Y C 1.343 177.174 175.900 -0.116 0.000 1.188 127 Y CA 0.307 58.258 58.100 -0.249 0.000 1.269 127 Y CB -0.262 37.832 38.460 -0.610 0.000 1.094 127 Y HN 0.209 nan 8.280 nan 0.000 0.518 128 T N -2.599 112.011 114.554 0.092 0.000 3.248 128 T HA 0.699 5.049 4.350 0.000 0.000 0.271 128 T C 0.549 175.560 174.700 0.519 0.000 1.005 128 T CA -0.253 61.995 62.100 0.247 0.000 0.902 128 T CB -0.468 68.514 68.868 0.190 0.000 1.102 128 T HN 0.195 nan 8.240 nan 0.000 0.548 129 A N 1.698 124.746 122.820 0.380 0.000 2.287 129 A HA 0.823 5.143 4.320 0.000 0.000 0.273 129 A C -0.388 177.525 177.584 0.547 0.000 1.091 129 A CA -0.785 51.434 52.037 0.304 0.000 0.817 129 A CB 0.212 19.304 19.000 0.153 0.000 1.069 129 A HN 0.765 nan 8.150 nan 0.000 0.492 130 F N -1.945 118.125 119.950 0.200 0.000 2.678 130 F HA 0.634 5.161 4.527 0.000 0.000 0.308 130 F C -0.435 175.461 175.800 0.160 0.000 1.118 130 F CA -0.687 57.424 58.000 0.185 0.000 0.959 130 F CB 1.298 40.415 39.000 0.194 0.000 1.305 130 F HN 0.537 nan 8.300 nan 0.000 0.443 131 T N 2.489 117.203 114.554 0.267 0.000 2.794 131 T HA 0.726 5.076 4.350 0.000 0.000 0.280 131 T C -0.897 173.927 174.700 0.207 0.000 0.987 131 T CA -0.453 61.738 62.100 0.152 0.000 0.993 131 T CB 0.540 69.468 68.868 0.100 0.000 0.939 131 T HN 0.674 nan 8.240 nan 0.000 0.449 132 I N 7.109 127.786 120.570 0.177 0.000 2.330 132 I HA 0.339 4.509 4.170 0.000 0.000 0.289 132 I C -2.187 174.005 176.117 0.125 0.000 1.001 132 I CA -2.756 58.659 61.300 0.191 0.000 1.193 132 I CB 2.196 40.331 38.000 0.225 0.000 1.345 132 I HN 0.470 nan 8.210 nan 0.000 0.461 133 P HA 0.074 nan 4.420 nan 0.000 0.265 133 P C 0.384 177.731 177.300 0.077 0.000 1.193 133 P CA 0.433 63.586 63.100 0.088 0.000 0.765 133 P CB 0.876 32.633 31.700 0.095 0.000 0.823 134 S N 3.303 119.034 115.700 0.052 0.000 2.374 134 S HA 0.080 4.550 4.470 0.000 0.000 0.207 134 S C 1.199 175.827 174.600 0.046 0.000 1.042 134 S CA 1.676 59.901 58.200 0.042 0.000 1.034 134 S CB -1.205 62.005 63.200 0.016 0.000 1.018 134 S HN 0.456 nan 8.310 nan 0.000 0.419 135 I N 1.160 121.752 120.570 0.037 0.000 2.297 135 I HA 0.611 4.781 4.170 0.000 0.000 0.291 135 I C 1.082 177.224 176.117 0.040 0.000 1.033 135 I CA 0.459 61.780 61.300 0.036 0.000 1.253 135 I CB -1.097 36.918 38.000 0.025 0.000 1.396 135 I HN 1.246 nan 8.210 nan 0.000 0.476 136 N N 2.832 121.560 118.700 0.045 0.000 1.320 136 N HA -0.394 4.346 4.740 0.000 0.000 0.139 136 N C 1.687 177.228 175.510 0.051 0.000 0.550 136 N CA 3.362 56.440 53.050 0.046 0.000 1.036 136 N CB -1.560 36.949 38.487 0.036 0.000 1.344 136 N HN 2.361 nan 8.380 nan 0.000 0.468 137 N N -0.183 118.544 118.700 0.045 0.000 2.436 137 N HA 0.467 5.207 4.740 0.000 0.000 0.178 137 N C 1.838 177.376 175.510 0.046 0.000 1.026 137 N CA 2.205 55.285 53.050 0.049 0.000 0.880 137 N CB -0.337 38.176 38.487 0.043 0.000 1.061 137 N HN 1.822 nan 8.380 nan 0.000 0.434 138 E N 0.664 120.886 120.200 0.037 0.000 2.232 138 E HA 0.526 4.876 4.350 0.000 0.000 0.296 138 E C 0.408 177.026 176.600 0.030 0.000 1.372 138 E CA -0.041 56.377 56.400 0.030 0.000 1.527 138 E CB -1.320 28.394 29.700 0.023 0.000 1.424 138 E HN 0.854 nan 8.360 nan 0.000 0.485 139 T N 2.703 117.279 114.554 0.038 0.000 2.848 139 T HA 0.397 4.747 4.350 0.000 0.000 0.283 139 T C -0.524 174.193 174.700 0.028 0.000 0.919 139 T CA -1.281 60.842 62.100 0.038 0.000 1.071 139 T CB -0.222 68.678 68.868 0.054 0.000 0.912 139 T HN 0.033 nan 8.240 nan 0.000 0.570 140 P HA -0.158 nan 4.420 nan 0.000 0.222 140 P C 0.789 178.089 177.300 -0.001 0.000 1.155 140 P CA 2.077 65.179 63.100 0.003 0.000 0.890 140 P CB -0.089 31.607 31.700 -0.005 0.000 0.790 141 G N -0.822 107.980 108.800 0.003 0.000 3.071 141 G HA2 -0.041 3.919 3.960 0.000 0.000 0.620 141 G HA3 -0.041 3.919 3.960 0.000 0.000 0.620 141 G C -0.767 174.113 174.900 -0.033 0.000 1.204 141 G CA -0.832 44.267 45.100 -0.002 0.000 1.200 141 G HN 0.162 nan 8.290 nan 0.000 0.530 142 I N 2.246 122.802 120.570 -0.023 0.000 2.297 142 I HA 0.451 4.621 4.170 0.000 0.000 0.291 142 I C 0.748 176.788 176.117 -0.128 0.000 1.033 142 I CA -0.321 60.928 61.300 -0.086 0.000 1.253 142 I CB 1.056 39.059 38.000 0.005 0.000 1.396 142 I HN 0.348 nan 8.210 nan 0.000 0.476 143 R N 5.150 125.493 120.500 -0.261 0.000 2.476 143 R HA 0.472 4.812 4.340 0.000 0.000 0.305 143 R C -1.017 175.015 176.300 -0.447 0.000 0.965 143 R CA -0.435 55.505 56.100 -0.266 0.000 0.867 143 R CB 1.942 32.157 30.300 -0.141 0.000 1.176 143 R HN 0.407 nan 8.270 nan 0.000 0.447 144 Y N 1.278 121.294 120.300 -0.474 0.000 3.106 144 Y HA 0.307 4.857 4.550 0.000 0.000 0.438 144 Y C 0.058 175.710 175.900 -0.413 0.000 1.222 144 Y CA 0.146 57.933 58.100 -0.522 0.000 1.563 144 Y CB 0.723 38.679 38.460 -0.840 0.000 1.450 144 Y HN 0.451 nan 8.280 nan 0.000 0.842 145 Q N -1.410 118.261 119.800 -0.215 0.000 3.449 145 Q HA 0.035 4.376 4.340 0.000 0.000 0.138 145 Q C -2.212 173.773 176.000 -0.025 0.000 0.988 145 Q CA -0.595 55.200 55.803 -0.014 0.000 1.222 145 Q CB -0.969 27.772 28.738 0.004 0.000 1.798 145 Q HN 0.514 nan 8.270 nan 0.000 0.590 146 Y N 2.339 122.747 120.300 0.180 0.000 2.245 146 Y HA 0.178 4.729 4.550 0.000 0.000 0.355 146 Y C 1.239 177.173 175.900 0.057 0.000 1.278 146 Y CA 1.335 59.513 58.100 0.131 0.000 1.593 146 Y CB 0.512 39.043 38.460 0.118 0.000 1.393 146 Y HN 0.861 nan 8.280 nan 0.000 0.662 147 N N -1.716 117.124 118.700 0.233 0.000 1.986 147 N HA 0.198 4.939 4.740 0.000 0.000 0.227 147 N C -1.527 174.050 175.510 0.112 0.000 1.387 147 N CA 0.087 53.213 53.050 0.125 0.000 0.810 147 N CB 1.226 39.764 38.487 0.084 0.000 1.140 147 N HN 0.286 nan 8.380 nan 0.000 0.504 148 V N -2.362 117.642 119.914 0.151 0.000 3.156 148 V HA 0.562 4.682 4.120 0.000 0.000 0.310 148 V C -0.232 175.865 176.094 0.005 0.000 1.234 148 V CA -1.328 61.024 62.300 0.087 0.000 1.065 148 V CB 1.182 33.078 31.823 0.121 0.000 1.088 148 V HN -0.116 nan 8.190 nan 0.000 0.451 149 L N 2.193 123.409 121.223 -0.011 0.000 2.540 149 L HA 0.299 4.639 4.340 0.000 0.000 0.276 149 L C -2.232 174.560 176.870 -0.130 0.000 1.212 149 L CA -0.731 54.078 54.840 -0.051 0.000 0.893 149 L CB 0.052 42.155 42.059 0.072 0.000 1.138 149 L HN 0.535 nan 8.230 nan 0.000 0.491 150 P HA 0.238 nan 4.420 nan 0.000 0.290 150 P C -1.257 176.040 177.300 -0.004 0.000 1.283 150 P CA -0.872 62.036 63.100 -0.319 0.000 0.869 150 P CB 0.831 32.300 31.700 -0.384 0.000 1.100 151 Q N 0.784 120.559 119.800 -0.043 0.000 2.296 151 Q HA 0.423 4.763 4.340 0.000 0.000 0.262 151 Q C 0.482 176.563 176.000 0.135 0.000 0.981 151 Q CA 0.401 56.206 55.803 0.004 0.000 0.905 151 Q CB 0.018 28.703 28.738 -0.087 0.000 1.186 151 Q HN 0.853 nan 8.270 nan 0.000 0.399 152 G N 3.748 112.648 108.800 0.167 0.000 2.546 152 G HA2 -0.208 3.753 3.960 0.000 0.000 0.285 152 G HA3 -0.208 3.753 3.960 0.000 0.000 0.285 152 G C -1.263 173.942 174.900 0.508 0.000 1.105 152 G CA 0.046 45.286 45.100 0.235 0.000 1.189 152 G HN 0.701 nan 8.290 nan 0.000 0.534 153 W N 3.032 124.416 121.300 0.140 0.000 3.450 153 W HA 0.578 5.238 4.660 0.000 0.000 0.316 153 W C 0.332 176.872 176.519 0.036 0.000 1.099 153 W CA -1.150 56.246 57.345 0.084 0.000 1.277 153 W CB 0.358 29.771 29.460 -0.078 0.000 1.130 153 W HN 0.090 nan 8.180 nan 0.000 0.392 154 K N 2.744 123.027 120.400 -0.196 0.000 2.444 154 K HA -0.046 4.275 4.320 0.000 0.000 0.200 154 K C 1.983 178.241 176.600 -0.570 0.000 1.045 154 K CA 1.987 58.139 56.287 -0.225 0.000 0.934 154 K CB -0.270 32.200 32.500 -0.049 0.000 0.756 154 K HN 0.677 nan 8.250 nan 0.000 0.477 155 G N -0.623 107.484 108.800 -1.154 0.000 2.418 155 G HA2 -0.267 3.693 3.960 0.000 0.000 0.217 155 G HA3 -0.267 3.693 3.960 0.000 0.000 0.217 155 G C 1.480 175.764 174.900 -1.027 0.000 1.158 155 G CA 1.017 44.907 45.100 -2.017 0.000 0.771 155 G HN 0.338 nan 8.290 nan 0.000 0.545 156 S N 2.049 117.606 115.700 -0.239 0.000 2.377 156 S HA -0.147 4.323 4.470 0.000 0.000 0.224 156 S C 0.247 174.769 174.600 -0.129 0.000 1.042 156 S CA 1.947 60.134 58.200 -0.022 0.000 1.086 156 S CB -1.244 62.040 63.200 0.141 0.000 0.995 156 S HN 0.331 nan 8.310 nan 0.000 0.428 157 P HA 0.018 nan 4.420 nan 0.000 0.216 157 P C 1.583 178.791 177.300 -0.155 0.000 1.153 157 P CA 1.491 64.506 63.100 -0.141 0.000 0.848 157 P CB -0.155 31.456 31.700 -0.149 0.000 0.787 158 A N -0.508 122.130 122.820 -0.303 0.000 1.845 158 A HA -0.190 4.130 4.320 0.000 0.000 0.215 158 A C 2.242 179.637 177.584 -0.315 0.000 1.195 158 A CA 1.559 53.420 52.037 -0.293 0.000 0.616 158 A CB -1.678 17.111 19.000 -0.351 0.000 0.832 158 A HN 0.060 nan 8.150 nan 0.000 0.443 159 I N -1.931 118.330 120.570 -0.516 0.000 2.127 159 I HA -0.273 3.897 4.170 0.000 0.000 0.241 159 I C 2.374 178.360 176.117 -0.220 0.000 1.075 159 I CA 1.912 62.977 61.300 -0.391 0.000 1.334 159 I CB -0.431 37.311 38.000 -0.430 0.000 1.040 159 I HN 0.444 nan 8.210 nan 0.000 0.405 160 F N 1.607 121.410 119.950 -0.244 0.000 2.025 160 F HA -0.373 4.154 4.527 0.000 0.000 0.297 160 F C 2.827 178.526 175.800 -0.168 0.000 1.132 160 F CA 2.419 60.313 58.000 -0.177 0.000 1.191 160 F CB -0.771 38.138 39.000 -0.151 0.000 0.963 160 F HN 0.084 nan 8.300 nan 0.000 0.481 161 Q N -0.224 119.657 119.800 0.135 0.000 2.242 161 Q HA -0.247 4.093 4.340 0.000 0.000 0.211 161 Q C 1.928 177.859 176.000 -0.116 0.000 0.992 161 Q CA 2.280 58.104 55.803 0.035 0.000 0.889 161 Q CB -0.253 28.485 28.738 -0.001 0.000 0.913 161 Q HN 0.517 nan 8.270 nan 0.000 0.422 162 S N -0.504 115.099 115.700 -0.163 0.000 2.439 162 S HA 0.018 4.488 4.470 0.000 0.000 0.224 162 S C 1.947 176.396 174.600 -0.250 0.000 1.029 162 S CA 0.659 58.751 58.200 -0.180 0.000 0.946 162 S CB 0.173 63.284 63.200 -0.149 0.000 0.797 162 S HN 0.292 nan 8.310 nan 0.000 0.504 163 S N 1.782 117.271 115.700 -0.352 0.000 2.387 163 S HA 0.039 4.509 4.470 0.000 0.000 0.226 163 S C 1.817 176.133 174.600 -0.472 0.000 1.026 163 S CA 0.998 58.964 58.200 -0.391 0.000 0.972 163 S CB -0.256 62.689 63.200 -0.425 0.000 0.814 163 S HN 0.414 nan 8.310 nan 0.000 0.477 164 M N 2.075 121.331 119.600 -0.573 0.000 2.476 164 M HA -0.011 4.469 4.480 0.000 0.000 0.262 164 M C 1.475 177.563 176.300 -0.352 0.000 1.079 164 M CA 1.144 56.144 55.300 -0.499 0.000 1.104 164 M CB -0.514 31.803 32.600 -0.471 0.000 1.409 164 M HN 0.284 nan 8.290 nan 0.000 0.467 165 T N -3.561 110.827 114.554 -0.277 0.000 3.086 165 T HA 0.211 4.561 4.350 0.000 0.000 0.250 165 T C 1.540 176.123 174.700 -0.195 0.000 1.074 165 T CA 0.057 62.037 62.100 -0.200 0.000 0.988 165 T CB 0.131 68.916 68.868 -0.138 0.000 0.988 165 T HN 0.144 nan 8.240 nan 0.000 0.530 166 K N 1.648 121.892 120.400 -0.260 0.000 2.063 166 K HA 0.419 4.739 4.320 0.000 0.000 0.204 166 K C 1.892 178.271 176.600 -0.369 0.000 1.039 166 K CA 0.492 56.632 56.287 -0.245 0.000 0.957 166 K CB -0.493 31.862 32.500 -0.242 0.000 0.764 166 K HN 0.302 nan 8.250 nan 0.000 0.447 167 I N 0.750 120.956 120.570 -0.607 0.000 2.248 167 I HA -0.257 3.913 4.170 0.000 0.000 0.248 167 I C 1.466 177.216 176.117 -0.612 0.000 1.107 167 I CA 1.156 61.855 61.300 -1.001 0.000 1.373 167 I CB -0.250 37.058 38.000 -1.153 0.000 1.055 167 I HN 0.029 nan 8.210 nan 0.000 0.418 168 L N 0.511 121.514 121.223 -0.367 0.000 2.645 168 L HA 0.002 4.342 4.340 0.000 0.000 0.235 168 L C 1.981 178.859 176.870 0.014 0.000 1.150 168 L CA 0.231 54.972 54.840 -0.164 0.000 0.911 168 L CB -0.306 41.653 42.059 -0.166 0.000 1.077 168 L HN 0.149 nan 8.230 nan 0.000 0.438 169 E N 0.034 120.235 120.200 0.002 0.000 2.099 169 E HA -0.013 4.337 4.350 0.000 0.000 0.191 169 E C -0.463 176.211 176.600 0.123 0.000 0.962 169 E CA 0.664 57.097 56.400 0.054 0.000 0.826 169 E CB -1.278 28.421 29.700 -0.001 0.000 0.788 169 E HN 0.271 nan 8.360 nan 0.000 0.461 170 P HA -0.184 nan 4.420 nan 0.000 0.216 170 P C 1.695 179.056 177.300 0.101 0.000 1.153 170 P CA 1.121 64.302 63.100 0.135 0.000 0.858 170 P CB -0.235 31.578 31.700 0.189 0.000 0.789 171 F N 2.052 122.029 119.950 0.045 0.000 2.026 171 F HA -0.142 4.385 4.527 0.000 0.000 0.296 171 F C 2.224 178.028 175.800 0.007 0.000 1.133 171 F CA 1.795 59.796 58.000 0.002 0.000 1.188 171 F CB -0.788 38.324 39.000 0.186 0.000 0.968 171 F HN -0.256 nan 8.300 nan 0.000 0.476 172 K N 0.376 121.015 120.400 0.399 0.000 2.642 172 K HA -0.197 4.123 4.320 0.000 0.000 0.194 172 K C 1.720 178.350 176.600 0.050 0.000 1.039 172 K CA 0.944 57.367 56.287 0.227 0.000 0.947 172 K CB -0.143 32.469 32.500 0.188 0.000 0.784 172 K HN 0.314 nan 8.250 nan 0.000 0.491 173 K N -0.414 119.981 120.400 -0.009 0.000 2.443 173 K HA 0.004 4.324 4.320 0.000 0.000 0.200 173 K C 1.131 177.674 176.600 -0.096 0.000 1.278 173 K CA 0.387 56.653 56.287 -0.036 0.000 0.925 173 K CB 0.194 32.689 32.500 -0.008 0.000 1.225 173 K HN 0.071 nan 8.250 nan 0.000 0.514 174 Q N 1.618 121.321 119.800 -0.162 0.000 2.500 174 Q HA -0.042 4.299 4.340 0.000 0.000 0.213 174 Q C -0.569 175.277 176.000 -0.255 0.000 0.974 174 Q CA 0.987 56.666 55.803 -0.208 0.000 0.918 174 Q CB 0.042 28.616 28.738 -0.273 0.000 0.980 174 Q HN 0.384 nan 8.270 nan 0.000 0.505 175 N N -1.583 116.952 118.700 -0.275 0.000 3.111 175 N HA 0.193 4.933 4.740 0.000 0.000 0.200 175 N C -3.166 172.252 175.510 -0.154 0.000 1.464 175 N CA -1.156 51.749 53.050 -0.241 0.000 0.758 175 N CB 0.133 38.402 38.487 -0.365 0.000 1.548 175 N HN -0.207 nan 8.380 nan 0.000 0.595 176 P HA 0.315 nan 4.420 nan 0.000 0.272 176 P C -0.020 177.260 177.300 -0.032 0.000 1.254 176 P CA 0.255 63.330 63.100 -0.042 0.000 0.795 176 P CB 0.605 32.286 31.700 -0.031 0.000 1.022 177 D N -2.234 118.161 120.400 -0.008 0.000 2.202 177 D HA -0.161 4.479 4.640 0.000 0.000 0.165 177 D C 0.407 176.715 176.300 0.014 0.000 1.170 177 D CA 0.873 54.873 54.000 0.000 0.000 1.110 177 D CB -1.389 39.407 40.800 -0.008 0.000 1.160 177 D HN 0.360 nan 8.370 nan 0.000 0.496 178 I N 2.207 122.788 120.570 0.019 0.000 3.282 178 I HA 0.157 4.327 4.170 0.000 0.000 0.335 178 I C -0.076 176.095 176.117 0.090 0.000 1.325 178 I CA -0.072 61.256 61.300 0.047 0.000 1.156 178 I CB -0.587 37.433 38.000 0.034 0.000 1.644 178 I HN -0.238 nan 8.210 nan 0.000 0.493 179 V N 4.917 124.869 119.914 0.063 0.000 2.843 179 V HA 0.173 4.293 4.120 0.000 0.000 0.305 179 V C 0.909 177.042 176.094 0.064 0.000 1.065 179 V CA -0.092 62.247 62.300 0.066 0.000 1.116 179 V CB 0.954 32.801 31.823 0.041 0.000 0.968 179 V HN 0.417 nan 8.190 nan 0.000 0.487 180 I N 1.338 121.948 120.570 0.066 0.000 3.264 180 I HA 0.737 4.908 4.170 0.000 0.000 0.309 180 I C -1.253 174.931 176.117 0.111 0.000 1.099 180 I CA -1.035 60.306 61.300 0.068 0.000 0.989 180 I CB 2.332 40.351 38.000 0.032 0.000 1.250 180 I HN 0.614 nan 8.210 nan 0.000 0.478 181 Y N 1.577 121.862 120.300 -0.025 0.000 2.534 181 Y HA 0.481 5.032 4.550 0.000 0.000 0.345 181 Y C -1.389 174.531 175.900 0.033 0.000 1.031 181 Y CA -0.500 57.585 58.100 -0.025 0.000 1.022 181 Y CB 1.909 40.305 38.460 -0.106 0.000 1.292 181 Y HN 0.758 nan 8.280 nan 0.000 0.459 182 Q N 4.615 124.046 119.800 -0.615 0.000 2.347 182 Q HA 0.482 4.823 4.340 0.000 0.000 0.271 182 Q C -2.501 173.326 176.000 -0.288 0.000 1.064 182 Q CA -0.996 54.645 55.803 -0.270 0.000 0.800 182 Q CB 2.914 31.580 28.738 -0.120 0.000 1.304 182 Q HN 0.720 nan 8.270 nan 0.000 0.438 183 Y N 6.032 126.319 120.300 -0.022 0.000 2.359 183 Y HA 0.315 4.866 4.550 0.000 0.000 0.336 183 Y C -0.653 175.337 175.900 0.150 0.000 1.098 183 Y CA -0.749 57.437 58.100 0.143 0.000 1.272 183 Y CB 0.914 39.720 38.460 0.577 0.000 1.112 183 Y HN 0.947 nan 8.280 nan 0.000 0.481 184 M N 0.351 119.871 119.600 -0.133 0.000 7.319 184 M HA -0.244 4.236 4.480 0.000 0.000 0.158 184 M C -0.717 175.528 176.300 -0.092 0.000 0.480 184 M CA 1.160 56.336 55.300 -0.207 0.000 1.311 184 M CB -0.641 31.774 32.600 -0.309 0.000 0.421 184 M HN 0.660 nan 8.290 nan 0.000 0.190 185 D N 2.424 122.716 120.400 -0.181 0.000 5.015 185 D HA 0.163 4.803 4.640 0.000 0.000 0.263 185 D C -0.855 175.439 176.300 -0.009 0.000 1.515 185 D CA 1.729 55.666 54.000 -0.105 0.000 1.364 185 D CB -0.463 40.264 40.800 -0.121 0.000 1.351 185 D HN 0.498 nan 8.370 nan 0.000 0.750 186 D N 1.593 122.012 120.400 0.033 0.000 2.087 186 D HA 0.076 4.716 4.640 0.000 0.000 0.161 186 D C -0.909 175.443 176.300 0.087 0.000 1.196 186 D CA -0.419 53.619 54.000 0.064 0.000 0.916 186 D CB 0.402 41.400 40.800 0.330 0.000 2.216 186 D HN 0.131 nan 8.370 nan 0.000 0.512 187 L N 2.618 123.794 121.223 -0.078 0.000 2.295 187 L HA 0.353 4.693 4.340 0.000 0.000 0.281 187 L C -0.570 176.214 176.870 -0.143 0.000 1.018 187 L CA -0.739 54.077 54.840 -0.040 0.000 0.841 187 L CB 0.807 42.814 42.059 -0.085 0.000 1.218 187 L HN 0.292 nan 8.230 nan 0.000 0.424 188 Y N 3.085 123.326 120.300 -0.100 0.000 2.724 188 Y HA 0.184 4.734 4.550 0.000 0.000 0.332 188 Y C 0.368 176.201 175.900 -0.111 0.000 1.276 188 Y CA -0.503 57.482 58.100 -0.192 0.000 1.597 188 Y CB 0.286 38.565 38.460 -0.302 0.000 1.584 188 Y HN 0.210 nan 8.280 nan 0.000 0.478 189 V N 2.221 122.129 119.914 -0.009 0.000 2.470 189 V HA 0.595 4.715 4.120 0.000 0.000 0.276 189 V C 0.700 176.849 176.094 0.091 0.000 1.040 189 V CA -0.131 62.186 62.300 0.028 0.000 1.008 189 V CB 0.491 32.310 31.823 -0.007 0.000 0.990 189 V HN 0.759 nan 8.190 nan 0.000 0.477 190 G N 3.299 112.164 108.800 0.109 0.000 2.759 190 G HA2 0.722 4.682 3.960 0.000 0.000 0.297 190 G HA3 0.722 4.682 3.960 0.000 0.000 0.297 190 G C -0.918 174.085 174.900 0.172 0.000 1.434 190 G CA -0.082 45.118 45.100 0.166 0.000 0.980 190 G HN 0.918 nan 8.290 nan 0.000 0.531 191 S N -0.253 115.643 115.700 0.325 0.000 2.656 191 S HA 0.569 5.039 4.470 0.000 0.000 0.273 191 S C -1.407 173.335 174.600 0.237 0.000 1.168 191 S CA -0.945 57.382 58.200 0.211 0.000 0.817 191 S CB 2.195 65.455 63.200 0.100 0.000 1.146 191 S HN 0.321 nan 8.310 nan 0.000 0.475 192 D N 0.866 121.349 120.400 0.140 0.000 2.943 192 D HA 0.468 5.108 4.640 0.000 0.000 0.249 192 D C -0.849 175.532 176.300 0.134 0.000 1.231 192 D CA 0.057 54.127 54.000 0.117 0.000 0.979 192 D CB -0.106 40.738 40.800 0.072 0.000 1.053 192 D HN 0.308 nan 8.370 nan 0.000 0.504 193 L N 0.856 122.228 121.223 0.249 0.000 2.334 193 L HA 0.339 4.680 4.340 0.000 0.000 0.276 193 L C 0.446 177.430 176.870 0.190 0.000 1.014 193 L CA -1.010 53.958 54.840 0.213 0.000 0.815 193 L CB 1.765 43.937 42.059 0.189 0.000 1.268 193 L HN 0.107 nan 8.230 nan 0.000 0.428 194 E N 3.537 123.804 120.200 0.112 0.000 2.752 194 E HA -0.091 4.260 4.350 0.000 0.000 0.241 194 E C 1.130 177.792 176.600 0.103 0.000 1.016 194 E CA 0.000 56.448 56.400 0.080 0.000 0.952 194 E CB 0.505 30.240 29.700 0.058 0.000 0.921 194 E HN 0.487 nan 8.360 nan 0.000 0.515 195 I N 2.998 123.610 120.570 0.071 0.000 2.178 195 I HA -0.415 3.755 4.170 0.000 0.000 0.243 195 I C 2.343 178.525 176.117 0.108 0.000 1.019 195 I CA 1.857 63.196 61.300 0.064 0.000 1.294 195 I CB -0.967 37.045 38.000 0.019 0.000 0.996 195 I HN 0.792 nan 8.210 nan 0.000 0.415 196 G N 1.013 109.860 108.800 0.078 0.000 2.599 196 G HA2 -0.324 3.636 3.960 0.000 0.000 0.219 196 G HA3 -0.324 3.636 3.960 0.000 0.000 0.219 196 G C 1.401 176.351 174.900 0.084 0.000 1.193 196 G CA 1.181 46.323 45.100 0.071 0.000 0.778 196 G HN 0.679 nan 8.290 nan 0.000 0.589 197 Q N -0.833 119.017 119.800 0.083 0.000 2.369 197 Q HA -0.048 4.292 4.340 0.000 0.000 0.206 197 Q C 2.038 178.083 176.000 0.076 0.000 0.963 197 Q CA 1.019 56.861 55.803 0.064 0.000 0.894 197 Q CB -0.419 28.342 28.738 0.039 0.000 0.965 197 Q HN 0.629 nan 8.270 nan 0.000 0.475 198 H N 1.559 120.652 119.070 0.038 0.000 2.428 198 H HA 0.070 4.626 4.556 0.000 0.000 0.296 198 H C 1.819 177.176 175.328 0.049 0.000 1.062 198 H CA 1.050 57.126 56.048 0.046 0.000 1.350 198 H CB 0.440 30.226 29.762 0.041 0.000 1.403 198 H HN 0.189 nan 8.280 nan 0.000 0.533 199 R N -0.421 120.191 120.500 0.187 0.000 2.105 199 R HA -0.070 4.270 4.340 0.000 0.000 0.239 199 R C 2.110 178.464 176.300 0.091 0.000 1.135 199 R CA 1.325 57.501 56.100 0.126 0.000 0.967 199 R CB -0.868 29.486 30.300 0.090 0.000 0.861 199 R HN 0.279 nan 8.270 nan 0.000 0.442 200 T N 1.037 115.635 114.554 0.073 0.000 2.939 200 T HA 0.037 4.387 4.350 0.000 0.000 0.254 200 T C 1.538 176.277 174.700 0.063 0.000 1.041 200 T CA 0.486 62.622 62.100 0.059 0.000 1.142 200 T CB 0.129 69.025 68.868 0.045 0.000 0.874 200 T HN 0.011 nan 8.240 nan 0.000 0.452 201 K N 1.225 121.652 120.400 0.044 0.000 2.574 201 K HA 0.173 4.493 4.320 0.000 0.000 0.193 201 K C 1.521 178.178 176.600 0.095 0.000 1.035 201 K CA 0.430 56.754 56.287 0.061 0.000 0.982 201 K CB -0.267 32.221 32.500 -0.021 0.000 0.795 201 K HN 0.439 nan 8.250 nan 0.000 0.491 202 I N -0.255 120.359 120.570 0.072 0.000 2.927 202 I HA -0.120 4.050 4.170 0.000 0.000 0.268 202 I C 1.828 177.978 176.117 0.055 0.000 1.153 202 I CA 0.342 61.680 61.300 0.062 0.000 1.459 202 I CB 0.168 38.223 38.000 0.091 0.000 1.149 202 I HN 0.126 nan 8.210 nan 0.000 0.443 203 E N 1.098 121.339 120.200 0.070 0.000 2.058 203 E HA -0.260 4.090 4.350 0.000 0.000 0.194 203 E C 1.892 178.547 176.600 0.091 0.000 0.997 203 E CA 1.411 57.851 56.400 0.066 0.000 0.801 203 E CB -0.067 29.672 29.700 0.064 0.000 0.746 203 E HN 0.496 nan 8.360 nan 0.000 0.450 204 E N 0.824 121.108 120.200 0.139 0.000 2.058 204 E HA -0.209 4.141 4.350 0.000 0.000 0.194 204 E C 2.235 178.985 176.600 0.249 0.000 0.997 204 E CA 0.854 57.390 56.400 0.227 0.000 0.801 204 E CB -0.159 29.714 29.700 0.289 0.000 0.746 204 E HN 0.121 nan 8.360 nan 0.000 0.450 205 L N 1.152 122.444 121.223 0.115 0.000 2.042 205 L HA -0.210 4.130 4.340 0.000 0.000 0.210 205 L C 2.506 179.286 176.870 -0.151 0.000 1.076 205 L CA 1.612 56.238 54.840 -0.356 0.000 0.749 205 L CB -0.099 41.636 42.059 -0.539 0.000 0.893 205 L HN -0.046 nan 8.230 nan 0.000 0.432 206 R N -1.373 119.098 120.500 -0.048 0.000 2.189 206 R HA -0.168 4.173 4.340 0.000 0.000 0.218 206 R C 2.173 178.493 176.300 0.034 0.000 1.074 206 R CA 1.133 57.222 56.100 -0.018 0.000 0.991 206 R CB 0.029 30.329 30.300 -0.000 0.000 0.883 206 R HN 0.401 nan 8.270 nan 0.000 0.457 207 Q N -0.737 119.112 119.800 0.082 0.000 2.134 207 Q HA -0.106 4.234 4.340 0.000 0.000 0.195 207 Q C 1.678 177.796 176.000 0.195 0.000 0.958 207 Q CA 1.544 57.417 55.803 0.117 0.000 0.840 207 Q CB -0.207 28.601 28.738 0.118 0.000 0.918 207 Q HN 0.509 nan 8.270 nan 0.000 0.467 208 H N -0.833 118.312 119.070 0.126 0.000 2.456 208 H HA -0.106 4.450 4.556 0.000 0.000 0.296 208 H C 1.203 176.694 175.328 0.270 0.000 1.079 208 H CA 0.681 56.862 56.048 0.223 0.000 1.322 208 H CB 0.410 30.328 29.762 0.260 0.000 1.388 208 H HN 0.180 nan 8.280 nan 0.000 0.538 209 L N 0.839 122.108 121.223 0.077 0.000 1.982 209 L HA -0.126 4.214 4.340 0.000 0.000 0.206 209 L C 2.619 179.549 176.870 0.100 0.000 1.078 209 L CA 1.180 55.999 54.840 -0.035 0.000 0.749 209 L CB -1.031 40.975 42.059 -0.088 0.000 0.894 209 L HN 0.277 nan 8.230 nan 0.000 0.436 210 L N 0.149 121.421 121.223 0.082 0.000 2.468 210 L HA -0.242 4.098 4.340 0.000 0.000 0.225 210 L C 1.999 178.924 176.870 0.091 0.000 1.139 210 L CA 1.120 56.008 54.840 0.080 0.000 0.792 210 L CB -0.243 41.850 42.059 0.058 0.000 0.916 210 L HN 0.408 nan 8.230 nan 0.000 0.446 211 R N -3.094 117.483 120.500 0.129 0.000 2.466 211 R HA 0.021 4.362 4.340 0.000 0.000 0.279 211 R C 0.139 176.409 176.300 -0.049 0.000 0.976 211 R CA -0.107 56.008 56.100 0.026 0.000 1.081 211 R CB -0.211 30.085 30.300 -0.006 0.000 1.215 211 R HN 0.276 nan 8.270 nan 0.000 0.546 212 W N 0.596 121.870 121.300 -0.044 0.000 1.832 212 W HA 0.393 5.053 4.660 0.000 0.000 0.297 212 W C 0.661 177.141 176.519 -0.065 0.000 0.891 212 W CA 0.162 57.465 57.345 -0.070 0.000 2.000 212 W CB 1.323 30.697 29.460 -0.144 0.000 1.081 212 W HN 0.414 nan 8.180 nan 0.000 0.499 213 G N 1.180 110.072 108.800 0.154 0.000 2.588 213 G HA2 -0.368 3.593 3.960 0.000 0.000 0.273 213 G HA3 -0.368 3.593 3.960 0.000 0.000 0.273 213 G C 0.480 175.429 174.900 0.082 0.000 1.211 213 G CA -0.019 45.139 45.100 0.096 0.000 0.958 213 G HN 0.382 nan 8.290 nan 0.000 0.543 214 L N 0.670 121.934 121.223 0.068 0.000 4.413 214 L HA -0.185 4.155 4.340 0.000 0.000 0.499 214 L C 1.341 178.233 176.870 0.036 0.000 1.023 214 L CA 0.921 55.791 54.840 0.050 0.000 0.676 214 L CB -2.031 40.030 42.059 0.003 0.000 1.640 214 L HN 0.967 nan 8.230 nan 0.000 0.760 215 T N 0.549 115.127 114.554 0.041 0.000 4.216 215 T HA 0.089 4.440 4.350 0.000 0.000 0.221 215 T C 1.055 175.766 174.700 0.018 0.000 0.939 215 T CA 0.109 62.228 62.100 0.031 0.000 1.218 215 T CB -0.604 68.283 68.868 0.032 0.000 1.266 215 T HN 0.484 nan 8.240 nan 0.000 0.917 216 T N 5.884 120.442 114.554 0.006 0.000 2.561 216 T HA 0.069 4.419 4.350 0.000 0.000 0.245 216 T C -2.400 172.298 174.700 -0.004 0.000 1.071 216 T CA -1.021 61.074 62.100 -0.008 0.000 1.368 216 T CB -0.469 68.382 68.868 -0.029 0.000 1.061 216 T HN 0.420 nan 8.240 nan 0.000 0.511 217 P HA 0.468 nan 4.420 nan 0.000 0.265 217 P C 0.246 177.545 177.300 -0.001 0.000 1.222 217 P CA 0.682 63.784 63.100 0.002 0.000 0.767 217 P CB 0.100 31.801 31.700 0.003 0.000 0.801 218 D N 0.368 120.772 120.400 0.007 0.000 2.871 218 D HA 0.558 5.198 4.640 0.000 0.000 0.330 218 D C -0.785 175.525 176.300 0.018 0.000 1.364 218 D CA -0.267 53.739 54.000 0.011 0.000 0.759 218 D CB 0.301 41.102 40.800 0.002 0.000 1.325 218 D HN 0.183 nan 8.370 nan 0.000 0.452 219 K N -1.023 119.391 120.400 0.024 0.000 3.271 219 K HA 0.832 5.152 4.320 0.000 0.000 0.192 219 K C 0.648 177.268 176.600 0.033 0.000 1.108 219 K CA 1.419 57.723 56.287 0.028 0.000 0.902 219 K CB -0.181 32.336 32.500 0.028 0.000 0.889 219 K HN 2.289 nan 8.250 nan 0.000 0.520 220 K N -0.716 119.703 120.400 0.032 0.000 3.162 220 K HA 0.217 4.537 4.320 0.000 0.000 0.268 220 K C 0.395 177.024 176.600 0.049 0.000 1.062 220 K CA 1.966 58.278 56.287 0.041 0.000 0.769 220 K CB -3.168 29.362 32.500 0.050 0.000 1.274 220 K HN 2.854 nan 8.250 nan 0.000 0.478 221 H N -4.963 114.129 119.070 0.038 0.000 5.448 221 H HA 0.589 5.145 4.556 0.000 0.000 0.736 221 H C -0.122 175.241 175.328 0.057 0.000 1.800 221 H CA 1.127 57.203 56.048 0.047 0.000 1.511 221 H CB -1.985 27.821 29.762 0.073 0.000 3.678 221 H HN 2.552 nan 8.280 nan 0.000 0.651 222 Q N 0.234 120.061 119.800 0.045 0.000 2.357 222 Q HA 1.035 5.375 4.340 0.000 0.000 0.266 222 Q C 0.224 176.273 176.000 0.082 0.000 1.021 222 Q CA 0.370 56.206 55.803 0.055 0.000 0.784 222 Q CB 0.591 29.350 28.738 0.035 0.000 1.243 222 Q HN 2.685 nan 8.270 nan 0.000 0.465 223 K N 1.213 121.693 120.400 0.132 0.000 2.891 223 K HA 0.423 4.744 4.320 0.000 0.000 0.315 223 K C -0.738 175.989 176.600 0.212 0.000 1.197 223 K CA -0.228 56.186 56.287 0.212 0.000 0.974 223 K CB -0.056 32.628 32.500 0.307 0.000 1.351 223 K HN 1.115 nan 8.250 nan 0.000 0.404 224 E N 4.213 124.498 120.200 0.143 0.000 2.614 224 E HA 0.034 4.384 4.350 0.000 0.000 0.245 224 E C -1.557 174.931 176.600 -0.187 0.000 1.039 224 E CA -0.836 55.580 56.400 0.026 0.000 0.948 224 E CB 0.858 30.584 29.700 0.043 0.000 0.937 224 E HN 0.332 nan 8.360 nan 0.000 0.498 225 P HA -0.157 nan 4.420 nan 0.000 0.219 225 P C -2.100 174.793 177.300 -0.678 0.000 1.147 225 P CA 1.111 63.956 63.100 -0.425 0.000 0.821 225 P CB -0.240 31.415 31.700 -0.075 0.000 0.771 226 P HA 0.191 nan 4.420 nan 0.000 0.202 226 P C -0.529 176.698 177.300 -0.121 0.000 1.871 226 P CA -0.659 62.330 63.100 -0.185 0.000 1.068 226 P CB -0.344 31.311 31.700 -0.075 0.000 1.818 227 F N 0.357 120.471 119.950 0.273 0.000 2.669 227 F HA -0.089 4.439 4.527 0.000 0.000 0.344 227 F C 1.116 177.125 175.800 0.348 0.000 1.161 227 F CA 0.134 58.320 58.000 0.310 0.000 1.377 227 F CB -0.335 38.918 39.000 0.422 0.000 1.047 227 F HN -0.022 nan 8.300 nan 0.000 0.627 228 L N 2.787 124.352 121.223 0.570 0.000 2.272 228 L HA 0.223 4.564 4.340 0.000 0.000 0.284 228 L C 0.167 177.394 176.870 0.594 0.000 1.045 228 L CA -0.295 54.832 54.840 0.479 0.000 0.842 228 L CB 0.257 42.519 42.059 0.339 0.000 1.224 228 L HN 0.732 nan 8.230 nan 0.000 0.430 229 W N 3.974 125.466 121.300 0.320 0.000 1.746 229 W HA 0.239 4.899 4.660 0.000 0.000 0.569 229 W C 0.262 176.930 176.519 0.248 0.000 2.047 229 W CA -1.106 56.380 57.345 0.234 0.000 2.328 229 W CB 0.679 30.279 29.460 0.233 0.000 2.372 229 W HN 0.223 nan 8.180 nan 0.000 0.797 230 M N 2.929 122.320 119.600 -0.348 0.000 2.455 230 M HA 0.169 4.649 4.480 0.000 0.000 0.331 230 M C 0.751 177.046 176.300 -0.007 0.000 1.481 230 M CA 0.659 55.760 55.300 -0.333 0.000 1.362 230 M CB -1.333 30.930 32.600 -0.562 0.000 1.564 230 M HN 0.685 nan 8.290 nan 0.000 0.458 231 G N 2.777 111.639 108.800 0.104 0.000 2.583 231 G HA2 -0.337 3.623 3.960 0.000 0.000 0.292 231 G HA3 -0.337 3.623 3.960 0.000 0.000 0.292 231 G C -0.360 174.850 174.900 0.518 0.000 1.203 231 G CA 0.138 45.456 45.100 0.364 0.000 0.987 231 G HN 0.711 nan 8.290 nan 0.000 0.554 232 Y N 1.004 121.681 120.300 0.629 0.000 2.981 232 Y HA -0.147 4.403 4.550 0.000 0.000 0.204 232 Y C 1.097 177.328 175.900 0.551 0.000 1.265 232 Y CA 1.131 59.595 58.100 0.605 0.000 0.941 232 Y CB -1.594 37.223 38.460 0.594 0.000 1.254 232 Y HN 0.791 nan 8.280 nan 0.000 0.469 233 E N 1.370 121.911 120.200 0.568 0.000 2.406 233 E HA 0.298 4.648 4.350 0.000 0.000 0.258 233 E C -0.259 176.630 176.600 0.481 0.000 1.043 233 E CA -0.191 56.470 56.400 0.436 0.000 0.929 233 E CB 0.194 30.065 29.700 0.285 0.000 0.969 233 E HN 0.455 nan 8.360 nan 0.000 0.462 234 L N 2.754 124.269 121.223 0.486 0.000 2.279 234 L HA 0.764 5.104 4.340 0.000 0.000 0.262 234 L C -0.657 176.485 176.870 0.453 0.000 1.019 234 L CA -1.125 54.016 54.840 0.501 0.000 0.823 234 L CB 1.771 44.113 42.059 0.472 0.000 1.358 234 L HN 0.476 nan 8.230 nan 0.000 0.432 235 H N -1.141 118.132 119.070 0.337 0.000 3.094 235 H HA 0.348 4.904 4.556 0.000 0.000 0.346 235 H C -2.479 173.065 175.328 0.359 0.000 1.238 235 H CA -0.904 55.284 56.048 0.233 0.000 1.209 235 H CB 2.661 32.491 29.762 0.113 0.000 1.911 235 H HN 0.429 nan 8.280 nan 0.000 0.540 236 P HA -0.175 nan 4.420 nan 0.000 0.222 236 P C 0.461 177.976 177.300 0.358 0.000 1.142 236 P CA 1.213 64.418 63.100 0.175 0.000 0.788 236 P CB 0.585 32.253 31.700 -0.053 0.000 0.767 237 D N 0.379 120.981 120.400 0.337 0.000 2.077 237 D HA -0.077 4.563 4.640 0.000 0.000 0.197 237 D C 1.100 177.432 176.300 0.054 0.000 0.983 237 D CA 1.648 55.796 54.000 0.247 0.000 0.841 237 D CB 0.167 41.169 40.800 0.337 0.000 0.992 237 D HN 0.308 nan 8.370 nan 0.000 0.450 238 K N -2.531 117.889 120.400 0.034 0.000 2.210 238 K HA 0.493 4.813 4.320 0.000 0.000 0.256 238 K C -1.372 175.269 176.600 0.068 0.000 0.854 238 K CA -1.005 55.121 56.287 -0.268 0.000 0.706 238 K CB 0.733 33.090 32.500 -0.238 0.000 1.474 238 K HN 0.255 nan 8.250 nan 0.000 0.371 239 W N -1.112 120.088 121.300 -0.167 0.000 2.923 239 W HA 0.763 5.424 4.660 0.000 0.000 0.373 239 W C -1.036 175.492 176.519 0.014 0.000 1.205 239 W CA -0.077 57.293 57.345 0.041 0.000 1.180 239 W CB 0.930 30.476 29.460 0.143 0.000 1.477 239 W HN 0.893 nan 8.180 nan 0.000 0.581 240 T N -0.413 114.095 114.554 -0.077 0.000 2.674 240 T HA 0.474 4.824 4.350 0.000 0.000 0.298 240 T C -2.161 172.641 174.700 0.170 0.000 1.775 240 T CA -0.213 61.688 62.100 -0.331 0.000 0.960 240 T CB 0.465 69.170 68.868 -0.272 0.000 1.976 240 T HN 0.898 nan 8.240 nan 0.000 0.459 241 V N 1.968 121.913 119.914 0.051 0.000 2.960 241 V HA 0.630 4.750 4.120 0.000 0.000 0.315 241 V C 0.062 176.282 176.094 0.210 0.000 1.087 241 V CA -0.664 61.743 62.300 0.178 0.000 0.982 241 V CB 1.937 33.778 31.823 0.030 0.000 1.039 241 V HN 0.851 nan 8.190 nan 0.000 0.437 242 Q N 1.124 121.073 119.800 0.248 0.000 2.991 242 Q HA 0.394 4.734 4.340 0.000 0.000 0.226 242 Q C -2.139 173.958 176.000 0.162 0.000 1.132 242 Q CA -0.545 55.372 55.803 0.191 0.000 0.378 242 Q CB -0.921 27.918 28.738 0.167 0.000 5.333 242 Q HN 0.519 nan 8.270 nan 0.000 0.348 243 P HA 0.040 nan 4.420 nan 0.000 0.263 243 P C -0.346 177.016 177.300 0.103 0.000 1.195 243 P CA 0.567 63.723 63.100 0.093 0.000 0.762 243 P CB 0.164 31.907 31.700 0.071 0.000 0.799 244 I N 2.308 122.924 120.570 0.077 0.000 4.240 244 I HA 0.332 4.502 4.170 0.000 0.000 0.331 244 I C 0.319 176.460 176.117 0.040 0.000 1.381 244 I CA -0.112 61.233 61.300 0.075 0.000 1.136 244 I CB 0.229 38.275 38.000 0.075 0.000 1.137 244 I HN 0.103 nan 8.210 nan 0.000 0.411 245 V N 0.698 120.629 119.914 0.028 0.000 3.301 245 V HA 0.657 4.778 4.120 0.000 0.000 0.291 245 V C -2.135 173.976 176.094 0.028 0.000 1.549 245 V CA -0.748 61.567 62.300 0.026 0.000 1.061 245 V CB 2.824 34.663 31.823 0.026 0.000 1.154 245 V HN 0.028 nan 8.190 nan 0.000 0.466 246 L N 4.224 125.471 121.223 0.040 0.000 3.996 246 L HA 0.419 4.759 4.340 0.000 0.000 0.218 246 L C -2.831 174.090 176.870 0.086 0.000 1.038 246 L CA -0.200 54.671 54.840 0.052 0.000 1.412 246 L CB 1.408 43.487 42.059 0.033 0.000 1.786 246 L HN 0.663 nan 8.230 nan 0.000 0.734 247 P HA 0.439 nan 4.420 nan 0.000 0.228 247 P C 0.204 177.710 177.300 0.344 0.000 1.714 247 P CA -0.456 62.859 63.100 0.358 0.000 1.253 247 P CB 1.713 33.750 31.700 0.562 0.000 1.486 248 E N 2.000 122.365 120.200 0.274 0.000 1.983 248 E HA -0.117 4.233 4.350 0.000 0.000 0.208 248 E C 0.156 176.831 176.600 0.125 0.000 1.006 248 E CA 1.372 57.878 56.400 0.177 0.000 0.872 248 E CB 0.093 29.876 29.700 0.137 0.000 0.806 248 E HN 0.349 nan 8.360 nan 0.000 0.510 249 K N -0.232 120.245 120.400 0.128 0.000 2.625 249 K HA 0.108 4.428 4.320 0.000 0.000 0.284 249 K C -1.710 174.817 176.600 -0.121 0.000 0.984 249 K CA -0.520 55.709 56.287 -0.095 0.000 0.865 249 K CB 1.460 33.917 32.500 -0.071 0.000 1.468 249 K HN -0.072 nan 8.250 nan 0.000 0.407 250 D N 0.698 120.895 120.400 -0.338 0.000 2.973 250 D HA -0.019 4.621 4.640 0.000 0.000 0.214 250 D C -0.299 176.034 176.300 0.054 0.000 1.079 250 D CA 2.011 55.897 54.000 -0.190 0.000 0.797 250 D CB 0.390 41.083 40.800 -0.178 0.000 1.168 250 D HN 0.480 nan 8.370 nan 0.000 0.515 251 S N 2.646 118.459 115.700 0.187 0.000 4.707 251 S HA -0.097 4.373 4.470 0.000 0.000 0.036 251 S C -0.892 173.885 174.600 0.294 0.000 0.861 251 S CA -0.572 57.737 58.200 0.182 0.000 0.897 251 S CB -1.309 61.981 63.200 0.151 0.000 0.328 251 S HN 0.404 nan 8.310 nan 0.000 0.804 252 W N 4.552 125.853 121.300 0.001 0.000 2.611 252 W HA 0.335 4.995 4.660 0.000 0.000 0.444 252 W C 1.291 177.812 176.519 0.002 0.000 1.103 252 W CA 0.383 57.729 57.345 0.001 0.000 1.638 252 W CB -0.907 28.554 29.460 0.001 0.000 1.697 252 W HN 0.441 nan 8.180 nan 0.000 0.409 253 T N -1.289 113.307 114.554 0.070 0.000 2.868 253 T HA 0.069 4.419 4.350 0.000 0.000 0.292 253 T C 1.062 175.747 174.700 -0.024 0.000 1.028 253 T CA -0.667 61.446 62.100 0.022 0.000 1.059 253 T CB 1.801 70.666 68.868 -0.005 0.000 0.991 253 T HN 0.166 nan 8.240 nan 0.000 0.531 254 V N 1.966 121.876 119.914 -0.008 0.000 2.568 254 V HA -0.167 3.953 4.120 0.000 0.000 0.253 254 V C 2.428 178.491 176.094 -0.051 0.000 1.072 254 V CA 2.515 64.804 62.300 -0.018 0.000 1.084 254 V CB -1.373 30.449 31.823 -0.002 0.000 0.676 254 V HN 1.009 nan 8.190 nan 0.000 0.469 255 N N 0.100 118.763 118.700 -0.060 0.000 2.120 255 N HA -0.162 4.578 4.740 0.000 0.000 0.188 255 N C 1.536 176.972 175.510 -0.124 0.000 1.024 255 N CA 2.034 55.038 53.050 -0.075 0.000 0.852 255 N CB -0.149 38.299 38.487 -0.065 0.000 1.003 255 N HN 0.583 nan 8.380 nan 0.000 0.424 256 D N 0.271 120.560 120.400 -0.186 0.000 2.077 256 D HA -0.087 4.553 4.640 0.000 0.000 0.196 256 D C 2.051 178.154 176.300 -0.329 0.000 0.986 256 D CA 1.024 54.831 54.000 -0.321 0.000 0.829 256 D CB -0.402 40.075 40.800 -0.538 0.000 0.983 256 D HN 0.387 nan 8.370 nan 0.000 0.453 257 I N 1.384 121.789 120.570 -0.275 0.000 2.236 257 I HA -0.295 3.876 4.170 0.000 0.000 0.249 257 I C 2.474 178.528 176.117 -0.106 0.000 1.102 257 I CA 1.080 62.278 61.300 -0.171 0.000 1.365 257 I CB -0.460 37.521 38.000 -0.032 0.000 1.051 257 I HN -0.039 nan 8.210 nan 0.000 0.420 258 Q N 1.314 121.062 119.800 -0.088 0.000 2.135 258 Q HA -0.201 4.139 4.340 0.000 0.000 0.204 258 Q C 2.165 178.125 176.000 -0.065 0.000 0.981 258 Q CA 1.589 57.357 55.803 -0.058 0.000 0.856 258 Q CB -0.226 28.482 28.738 -0.051 0.000 0.902 258 Q HN 0.630 nan 8.270 nan 0.000 0.425 259 K N 0.094 120.433 120.400 -0.101 0.000 2.186 259 K HA 0.062 4.382 4.320 0.000 0.000 0.202 259 K C 2.198 178.744 176.600 -0.089 0.000 1.052 259 K CA 0.160 56.389 56.287 -0.096 0.000 0.965 259 K CB 0.032 32.460 32.500 -0.120 0.000 0.746 259 K HN 0.115 nan 8.250 nan 0.000 0.457 260 L N 1.725 122.871 121.223 -0.128 0.000 2.046 260 L HA -0.142 4.198 4.340 0.000 0.000 0.208 260 L C 2.365 179.224 176.870 -0.018 0.000 1.077 260 L CA 1.362 56.147 54.840 -0.093 0.000 0.747 260 L CB -0.288 41.685 42.059 -0.142 0.000 0.896 260 L HN 0.082 nan 8.230 nan 0.000 0.432 261 V N -2.933 116.974 119.914 -0.011 0.000 2.913 261 V HA -0.010 4.110 4.120 0.000 0.000 0.260 261 V C 2.096 178.209 176.094 0.032 0.000 1.098 261 V CA 1.380 63.694 62.300 0.022 0.000 1.121 261 V CB -1.105 30.733 31.823 0.024 0.000 0.714 261 V HN 0.396 nan 8.190 nan 0.000 0.487 262 G N 0.694 109.499 108.800 0.009 0.000 2.547 262 G HA2 -0.166 3.794 3.960 0.000 0.000 0.214 262 G HA3 -0.166 3.794 3.960 0.000 0.000 0.214 262 G C 1.507 176.444 174.900 0.060 0.000 1.254 262 G CA 0.819 45.929 45.100 0.016 0.000 0.817 262 G HN 0.491 nan 8.290 nan 0.000 0.551 263 K N 0.012 120.435 120.400 0.038 0.000 2.107 263 K HA -0.094 4.226 4.320 0.000 0.000 0.211 263 K C 2.524 179.199 176.600 0.125 0.000 1.049 263 K CA 1.260 57.595 56.287 0.080 0.000 0.927 263 K CB -0.361 32.159 32.500 0.034 0.000 0.714 263 K HN 0.245 nan 8.250 nan 0.000 0.452 264 L N 0.819 122.095 121.223 0.089 0.000 2.056 264 L HA -0.194 4.147 4.340 0.000 0.000 0.207 264 L C 2.149 179.085 176.870 0.111 0.000 1.078 264 L CA 1.034 55.926 54.840 0.088 0.000 0.749 264 L CB -0.612 41.485 42.059 0.063 0.000 0.901 264 L HN 0.283 nan 8.230 nan 0.000 0.433 265 N N -0.248 118.524 118.700 0.121 0.000 2.084 265 N HA -0.246 4.495 4.740 0.000 0.000 0.190 265 N C 1.596 177.219 175.510 0.188 0.000 1.030 265 N CA 1.407 54.537 53.050 0.133 0.000 0.849 265 N CB -0.393 38.169 38.487 0.126 0.000 1.012 265 N HN 0.472 nan 8.380 nan 0.000 0.423 266 W N 2.042 123.345 121.300 0.005 0.000 2.317 266 W HA -0.280 4.380 4.660 0.000 0.000 0.318 266 W C 2.075 178.618 176.519 0.040 0.000 1.227 266 W CA 1.864 59.200 57.345 -0.015 0.000 1.269 266 W CB -0.221 29.213 29.460 -0.043 0.000 1.155 266 W HN 0.081 nan 8.180 nan 0.000 0.484 267 A N 0.580 123.476 122.820 0.126 0.000 2.032 267 A HA -0.254 4.066 4.320 0.000 0.000 0.221 267 A C 1.893 179.517 177.584 0.066 0.000 1.165 267 A CA 2.272 54.374 52.037 0.108 0.000 0.645 267 A CB -1.170 17.960 19.000 0.216 0.000 0.807 267 A HN 0.382 nan 8.150 nan 0.000 0.453 268 S N -0.596 115.128 115.700 0.039 0.000 2.407 268 S HA -0.319 4.151 4.470 0.000 0.000 0.235 268 S C 1.888 176.469 174.600 -0.031 0.000 1.036 268 S CA 1.688 59.897 58.200 0.015 0.000 1.013 268 S CB -0.366 62.841 63.200 0.012 0.000 0.820 268 S HN 0.680 nan 8.310 nan 0.000 0.476 269 Q N 0.605 120.357 119.800 -0.081 0.000 2.124 269 Q HA -0.211 4.129 4.340 0.000 0.000 0.215 269 Q C 1.829 177.822 176.000 -0.013 0.000 1.015 269 Q CA 2.513 58.305 55.803 -0.018 0.000 0.890 269 Q CB -0.274 28.411 28.738 -0.088 0.000 0.966 269 Q HN 0.869 nan 8.270 nan 0.000 0.412 270 I N -6.320 114.134 120.570 -0.195 0.000 4.922 270 I HA 0.155 4.325 4.170 0.000 0.000 0.331 270 I C -0.481 175.468 176.117 -0.280 0.000 1.260 270 I CA -0.523 60.593 61.300 -0.306 0.000 1.366 270 I CB 0.164 37.801 38.000 -0.604 0.000 1.386 270 I HN -0.176 nan 8.210 nan 0.000 0.483 271 Y N 5.392 125.629 120.300 -0.105 0.000 2.650 271 Y HA 0.307 4.857 4.550 0.000 0.000 0.342 271 Y C -2.276 173.582 175.900 -0.070 0.000 1.110 271 Y CA -2.484 55.565 58.100 -0.084 0.000 1.438 271 Y CB -0.497 37.922 38.460 -0.068 0.000 1.181 271 Y HN -0.021 nan 8.280 nan 0.000 0.526 272 P HA 0.121 nan 4.420 nan 0.000 0.267 272 P C 0.741 178.053 177.300 0.019 0.000 1.205 272 P CA 0.654 63.762 63.100 0.014 0.000 0.765 272 P CB 0.781 32.475 31.700 -0.010 0.000 0.828 273 G N 2.653 111.453 108.800 -0.000 0.000 2.179 273 G HA2 -0.222 3.738 3.960 0.000 0.000 0.257 273 G HA3 -0.222 3.738 3.960 0.000 0.000 0.257 273 G C 0.263 175.168 174.900 0.008 0.000 1.010 273 G CA -0.441 44.659 45.100 0.000 0.000 0.736 273 G HN 0.444 nan 8.290 nan 0.000 0.513 274 I N -0.694 119.887 120.570 0.019 0.000 2.882 274 I HA 0.468 4.638 4.170 0.000 0.000 0.286 274 I C 0.854 176.981 176.117 0.015 0.000 1.139 274 I CA 0.192 61.505 61.300 0.023 0.000 1.379 274 I CB 1.067 39.092 38.000 0.042 0.000 1.410 274 I HN 0.021 nan 8.210 nan 0.000 0.594 275 K N 3.617 124.028 120.400 0.019 0.000 3.009 275 K HA 0.120 4.440 4.320 0.000 0.000 0.228 275 K C -0.090 176.522 176.600 0.020 0.000 1.307 275 K CA -0.093 56.203 56.287 0.015 0.000 0.882 275 K CB 0.871 33.375 32.500 0.006 0.000 1.275 275 K HN 0.366 nan 8.250 nan 0.000 0.551 276 V N 1.664 121.596 119.914 0.029 0.000 3.299 276 V HA -0.292 3.828 4.120 0.000 0.000 0.275 276 V C 2.323 178.434 176.094 0.029 0.000 1.216 276 V CA 2.019 64.340 62.300 0.035 0.000 1.209 276 V CB -1.054 30.794 31.823 0.042 0.000 0.864 276 V HN 0.491 nan 8.190 nan 0.000 0.566 277 R N 0.808 121.319 120.500 0.018 0.000 2.148 277 R HA -0.228 4.112 4.340 0.000 0.000 0.230 277 R C 2.308 178.623 176.300 0.024 0.000 1.120 277 R CA 2.284 58.393 56.100 0.014 0.000 0.902 277 R CB -0.241 30.061 30.300 0.002 0.000 0.839 277 R HN 0.576 nan 8.270 nan 0.000 0.431 278 Q N 0.151 119.966 119.800 0.025 0.000 2.437 278 Q HA -0.143 4.197 4.340 0.000 0.000 0.210 278 Q C 1.981 178.009 176.000 0.047 0.000 0.972 278 Q CA 0.863 56.685 55.803 0.031 0.000 0.903 278 Q CB -0.067 28.686 28.738 0.025 0.000 0.967 278 Q HN 0.419 nan 8.270 nan 0.000 0.486 279 L N 0.380 121.636 121.223 0.055 0.000 2.558 279 L HA -0.009 4.331 4.340 0.000 0.000 0.225 279 L C 1.610 178.520 176.870 0.067 0.000 1.128 279 L CA 0.484 55.372 54.840 0.080 0.000 0.868 279 L CB 0.274 42.391 42.059 0.097 0.000 1.006 279 L HN 0.354 nan 8.230 nan 0.000 0.454 280 C N -5.121 114.209 119.300 0.049 0.000 3.559 280 C HA 0.277 4.737 4.460 0.000 0.000 0.314 280 C C 2.145 177.158 174.990 0.038 0.000 1.419 280 C CA -0.767 58.275 59.018 0.040 0.000 1.775 280 C CB -0.202 27.558 27.740 0.034 0.000 2.430 280 C HN 0.234 nan 8.230 nan 0.000 0.686 281 K N 2.908 123.331 120.400 0.039 0.000 1.969 281 K HA -0.124 4.196 4.320 0.000 0.000 0.223 281 K C 2.039 178.660 176.600 0.036 0.000 1.048 281 K CA 2.580 58.887 56.287 0.034 0.000 0.983 281 K CB -0.643 31.876 32.500 0.032 0.000 0.738 281 K HN 0.445 nan 8.250 nan 0.000 0.446 282 L N 0.588 121.835 121.223 0.040 0.000 2.137 282 L HA -0.058 4.283 4.340 0.000 0.000 0.213 282 L C 1.211 178.104 176.870 0.039 0.000 1.085 282 L CA 1.185 56.048 54.840 0.040 0.000 0.760 282 L CB -2.123 39.963 42.059 0.046 0.000 0.893 282 L HN 0.272 nan 8.230 nan 0.000 0.434 283 L N 1.712 122.959 121.223 0.040 0.000 2.737 283 L HA 0.110 4.450 4.340 0.000 0.000 0.288 283 L C 0.293 177.180 176.870 0.028 0.000 1.185 283 L CA 0.723 55.583 54.840 0.033 0.000 1.127 283 L CB -0.581 41.496 42.059 0.029 0.000 1.432 283 L HN 0.333 nan 8.230 nan 0.000 0.449 284 R N 2.154 122.670 120.500 0.027 0.000 2.764 284 R HA 0.602 4.942 4.340 0.000 0.000 0.270 284 R C 0.846 177.159 176.300 0.022 0.000 1.014 284 R CA -0.439 55.676 56.100 0.025 0.000 0.904 284 R CB 1.254 31.570 30.300 0.027 0.000 1.236 284 R HN 0.478 nan 8.270 nan 0.000 0.466 285 G N 0.436 109.249 108.800 0.021 0.000 4.011 285 G HA2 -0.493 3.467 3.960 0.000 0.000 0.348 285 G HA3 -0.493 3.467 3.960 0.000 0.000 0.348 285 G C 0.517 175.427 174.900 0.016 0.000 1.310 285 G CA 1.937 47.048 45.100 0.018 0.000 1.056 285 G HN 1.328 nan 8.290 nan 0.000 0.728 286 T N -2.026 112.539 114.554 0.017 0.000 3.390 286 T HA 0.010 4.360 4.350 0.000 0.000 0.385 286 T C 0.817 175.524 174.700 0.011 0.000 0.768 286 T CA 2.252 64.361 62.100 0.015 0.000 1.948 286 T CB -2.374 66.504 68.868 0.016 0.000 1.746 286 T HN 2.281 nan 8.240 nan 0.000 0.630 287 K N -0.349 120.057 120.400 0.011 0.000 2.086 287 K HA 0.627 4.948 4.320 0.000 0.000 0.215 287 K C 0.611 177.216 176.600 0.007 0.000 1.207 287 K CA 0.389 56.681 56.287 0.009 0.000 1.206 287 K CB -1.269 31.237 32.500 0.010 0.000 1.253 287 K HN 2.242 nan 8.250 nan 0.000 0.234 288 A N -1.416 121.407 122.820 0.005 0.000 2.564 288 A HA 0.536 4.857 4.320 0.000 0.000 0.296 288 A C 1.020 178.604 177.584 0.000 0.000 0.924 288 A CA -0.117 51.922 52.037 0.003 0.000 0.715 288 A CB -0.775 18.229 19.000 0.006 0.000 1.137 288 A HN 1.642 nan 8.150 nan 0.000 0.376 289 L N 1.092 122.312 121.223 -0.005 0.000 1.982 289 L HA 0.425 4.766 4.340 0.000 0.000 0.206 289 L C 2.826 179.691 176.870 -0.008 0.000 1.078 289 L CA 3.247 58.080 54.840 -0.012 0.000 0.749 289 L CB -2.215 39.834 42.059 -0.017 0.000 0.894 289 L HN 2.255 nan 8.230 nan 0.000 0.436 290 T N 0.083 114.635 114.554 -0.004 0.000 3.179 290 T HA 0.265 4.615 4.350 0.000 0.000 0.269 290 T C 0.953 175.660 174.700 0.011 0.000 1.187 290 T CA 1.159 63.261 62.100 0.003 0.000 1.054 290 T CB -1.589 67.281 68.868 0.004 0.000 0.874 290 T HN 1.201 nan 8.240 nan 0.000 0.568 291 E N 0.824 121.031 120.200 0.012 0.000 1.944 291 E HA 0.580 4.930 4.350 0.000 0.000 0.272 291 E C 0.456 177.074 176.600 0.031 0.000 1.195 291 E CA -0.003 56.409 56.400 0.020 0.000 0.926 291 E CB -0.674 29.037 29.700 0.018 0.000 1.051 291 E HN 1.037 nan 8.360 nan 0.000 0.404 292 V N 2.343 122.281 119.914 0.040 0.000 2.106 292 V HA 0.452 4.572 4.120 0.000 0.000 0.235 292 V C 1.206 177.343 176.094 0.071 0.000 1.454 292 V CA 0.820 63.159 62.300 0.065 0.000 1.458 292 V CB -1.468 30.395 31.823 0.068 0.000 1.506 292 V HN 1.090 nan 8.190 nan 0.000 0.498 293 I N 4.627 125.239 120.570 0.071 0.000 2.845 293 I HA 0.396 4.566 4.170 0.000 0.000 0.296 293 I C -0.809 175.359 176.117 0.085 0.000 1.216 293 I CA -1.496 59.845 61.300 0.068 0.000 1.438 293 I CB 0.003 38.041 38.000 0.065 0.000 1.342 293 I HN 0.641 nan 8.210 nan 0.000 0.577 294 P HA 0.387 nan 4.420 nan 0.000 0.276 294 P C -0.076 177.257 177.300 0.055 0.000 1.235 294 P CA -0.229 62.901 63.100 0.049 0.000 0.772 294 P CB 1.569 33.287 31.700 0.029 0.000 0.871 295 L N 3.123 124.377 121.223 0.051 0.000 2.491 295 L HA 0.275 4.615 4.340 0.000 0.000 0.164 295 L C 1.431 178.314 176.870 0.022 0.000 0.979 295 L CA 1.206 56.077 54.840 0.052 0.000 1.124 295 L CB -0.437 41.632 42.059 0.016 0.000 1.685 295 L HN 0.501 nan 8.230 nan 0.000 0.467 296 T N -3.066 111.493 114.554 0.009 0.000 2.618 296 T HA 0.283 4.633 4.350 0.000 0.000 0.293 296 T C 0.319 175.012 174.700 -0.012 0.000 1.093 296 T CA -0.476 61.626 62.100 0.003 0.000 1.061 296 T CB 1.016 69.893 68.868 0.015 0.000 1.498 296 T HN 0.445 nan 8.240 nan 0.000 0.494 297 E N 1.056 121.250 120.200 -0.009 0.000 1.998 297 E HA 0.087 4.437 4.350 0.000 0.000 0.195 297 E C 2.434 179.025 176.600 -0.015 0.000 0.994 297 E CA 2.061 58.451 56.400 -0.016 0.000 0.835 297 E CB -0.811 28.882 29.700 -0.012 0.000 0.786 297 E HN 0.748 nan 8.360 nan 0.000 0.467 298 E N 0.929 121.126 120.200 -0.006 0.000 2.160 298 E HA -0.163 4.188 4.350 0.000 0.000 0.195 298 E C 2.100 178.702 176.600 0.004 0.000 0.991 298 E CA 1.694 58.092 56.400 -0.003 0.000 0.810 298 E CB -1.134 28.567 29.700 0.001 0.000 0.742 298 E HN 0.303 nan 8.360 nan 0.000 0.466 299 A N 0.685 123.512 122.820 0.013 0.000 1.997 299 A HA -0.061 4.259 4.320 0.000 0.000 0.221 299 A C 2.513 180.107 177.584 0.017 0.000 1.172 299 A CA 3.023 55.079 52.037 0.031 0.000 0.645 299 A CB -1.075 17.956 19.000 0.052 0.000 0.813 299 A HN 0.852 nan 8.150 nan 0.000 0.454 300 E N -1.138 119.053 120.200 -0.015 0.000 2.153 300 E HA 0.091 4.441 4.350 0.000 0.000 0.194 300 E C 2.196 178.781 176.600 -0.024 0.000 0.988 300 E CA 2.034 58.410 56.400 -0.041 0.000 0.811 300 E CB -1.444 28.220 29.700 -0.061 0.000 0.746 300 E HN 1.312 nan 8.360 nan 0.000 0.466 301 L N 0.086 121.301 121.223 -0.012 0.000 2.131 301 L HA 0.409 4.749 4.340 0.000 0.000 0.206 301 L C 2.712 179.583 176.870 0.002 0.000 1.087 301 L CA 2.285 57.120 54.840 -0.008 0.000 0.767 301 L CB -1.687 40.368 42.059 -0.007 0.000 0.917 301 L HN 0.668 nan 8.230 nan 0.000 0.441 302 E N -0.001 120.207 120.200 0.013 0.000 2.268 302 E HA 0.198 4.548 4.350 0.000 0.000 0.195 302 E C 2.174 178.795 176.600 0.034 0.000 0.995 302 E CA 2.184 58.599 56.400 0.024 0.000 0.836 302 E CB -1.057 28.663 29.700 0.033 0.000 0.763 302 E HN 1.277 nan 8.360 nan 0.000 0.491 303 L N -0.320 120.926 121.223 0.039 0.000 2.221 303 L HA 0.705 5.045 4.340 0.000 0.000 0.202 303 L C 3.028 179.910 176.870 0.019 0.000 1.074 303 L CA 1.612 56.485 54.840 0.054 0.000 0.795 303 L CB -1.357 40.748 42.059 0.077 0.000 0.960 303 L HN 0.628 nan 8.230 nan 0.000 0.458 304 A N 0.278 123.098 122.820 -0.000 0.000 1.836 304 A HA -0.134 4.186 4.320 0.000 0.000 0.215 304 A C 2.428 180.004 177.584 -0.012 0.000 1.214 304 A CA 3.064 55.093 52.037 -0.013 0.000 0.636 304 A CB -1.371 17.617 19.000 -0.020 0.000 0.847 304 A HN 1.137 nan 8.150 nan 0.000 0.451 305 E N -0.728 119.466 120.200 -0.009 0.000 2.233 305 E HA -0.289 4.062 4.350 0.000 0.000 0.199 305 E C 1.814 178.407 176.600 -0.012 0.000 1.004 305 E CA 2.675 59.069 56.400 -0.010 0.000 0.819 305 E CB -2.050 27.647 29.700 -0.006 0.000 0.738 305 E HN 0.984 nan 8.360 nan 0.000 0.478 306 N N 0.033 118.729 118.700 -0.006 0.000 2.173 306 N HA -0.041 4.699 4.740 0.000 0.000 0.184 306 N C 2.508 177.997 175.510 -0.035 0.000 1.025 306 N CA 3.165 56.208 53.050 -0.012 0.000 0.852 306 N CB -1.019 37.472 38.487 0.008 0.000 0.998 306 N HN 0.851 nan 8.380 nan 0.000 0.427 307 R N -0.075 120.410 120.500 -0.025 0.000 2.143 307 R HA -0.173 4.167 4.340 0.000 0.000 0.239 307 R C 2.608 178.873 176.300 -0.059 0.000 1.126 307 R CA 3.228 59.306 56.100 -0.036 0.000 0.927 307 R CB -1.966 28.321 30.300 -0.021 0.000 0.860 307 R HN 0.903 nan 8.270 nan 0.000 0.433 308 E N -0.090 120.083 120.200 -0.046 0.000 2.110 308 E HA 0.093 4.443 4.350 0.000 0.000 0.193 308 E C 2.645 179.209 176.600 -0.061 0.000 0.988 308 E CA 2.700 59.072 56.400 -0.047 0.000 0.804 308 E CB -1.303 28.378 29.700 -0.032 0.000 0.745 308 E HN 1.303 nan 8.360 nan 0.000 0.458 309 I N 0.801 121.336 120.570 -0.058 0.000 2.248 309 I HA 0.163 4.333 4.170 0.000 0.000 0.248 309 I C 3.020 179.054 176.117 -0.138 0.000 1.107 309 I CA 2.350 63.614 61.300 -0.059 0.000 1.373 309 I CB -1.841 36.139 38.000 -0.033 0.000 1.055 309 I HN 0.883 nan 8.210 nan 0.000 0.418 310 L N 0.425 121.507 121.223 -0.234 0.000 2.962 310 L HA 0.477 4.818 4.340 0.000 0.000 0.263 310 L C 1.984 178.618 176.870 -0.393 0.000 1.152 310 L CA 1.786 56.344 54.840 -0.470 0.000 0.954 310 L CB -3.114 38.732 42.059 -0.356 0.000 1.213 310 L HN 0.975 nan 8.230 nan 0.000 0.422 311 K N -0.199 120.075 120.400 -0.211 0.000 2.981 311 K HA 0.594 4.914 4.320 0.000 0.000 0.308 311 K C 1.459 178.045 176.600 -0.024 0.000 1.089 311 K CA 1.206 57.436 56.287 -0.095 0.000 1.362 311 K CB -0.688 31.791 32.500 -0.036 0.000 1.631 311 K HN 1.341 nan 8.250 nan 0.000 0.547 312 E N -1.631 118.604 120.200 0.058 0.000 2.801 312 E HA 0.400 4.750 4.350 0.000 0.000 0.212 312 E C -1.019 175.625 176.600 0.073 0.000 0.963 312 E CA 0.550 57.020 56.400 0.117 0.000 1.247 312 E CB 0.204 29.934 29.700 0.050 0.000 1.076 312 E HN 0.779 nan 8.360 nan 0.000 0.504 313 P HA 0.788 nan 4.420 nan 0.000 0.236 313 P C -0.016 177.296 177.300 0.021 0.000 1.709 313 P CA 1.157 64.269 63.100 0.020 0.000 0.942 313 P CB -0.377 31.330 31.700 0.013 0.000 1.615 314 V N -1.896 118.032 119.914 0.023 0.000 2.663 314 V HA 0.728 4.848 4.120 0.000 0.000 0.286 314 V C -0.755 175.145 176.094 -0.324 0.000 1.085 314 V CA -0.183 62.053 62.300 -0.108 0.000 0.916 314 V CB 0.499 32.359 31.823 0.060 0.000 1.039 314 V HN 0.745 nan 8.190 nan 0.000 0.453 315 H N 2.455 121.303 119.070 -0.371 0.000 3.112 315 H HA 0.973 5.529 4.556 0.000 0.000 0.347 315 H C 0.874 175.878 175.328 -0.541 0.000 1.188 315 H CA -0.010 55.756 56.048 -0.470 0.000 1.240 315 H CB 1.249 30.840 29.762 -0.286 0.000 1.920 315 H HN 2.718 nan 8.280 nan 0.000 0.535 316 G N -1.344 106.952 108.800 -0.841 0.000 2.681 316 G HA2 0.434 4.394 3.960 0.000 0.000 0.320 316 G HA3 0.434 4.394 3.960 0.000 0.000 0.320 316 G C 0.587 175.116 174.900 -0.619 0.000 1.339 316 G CA 1.509 46.056 45.100 -0.921 0.000 0.916 316 G HN 2.437 nan 8.290 nan 0.000 0.559 317 V N -3.085 116.676 119.914 -0.254 0.000 3.181 317 V HA 0.672 4.792 4.120 0.000 0.000 0.307 317 V C 0.481 176.559 176.094 -0.026 0.000 1.310 317 V CA 0.109 62.421 62.300 0.020 0.000 1.067 317 V CB 1.411 33.487 31.823 0.422 0.000 1.081 317 V HN 1.376 nan 8.190 nan 0.000 0.453 318 Y N 1.077 121.385 120.300 0.013 0.000 2.477 318 Y HA 0.414 4.965 4.550 0.000 0.000 0.303 318 Y C 0.500 176.496 175.900 0.161 0.000 1.202 318 Y CA -0.697 57.424 58.100 0.036 0.000 1.282 318 Y CB -1.433 37.053 38.460 0.044 0.000 1.071 318 Y HN 0.633 nan 8.280 nan 0.000 0.510 319 Y N -1.473 119.024 120.300 0.329 0.000 2.542 319 Y HA -0.341 4.209 4.550 0.000 0.000 0.386 319 Y C 0.628 176.621 175.900 0.154 0.000 1.680 319 Y CA 0.470 58.695 58.100 0.209 0.000 1.417 319 Y CB -1.095 37.471 38.460 0.175 0.000 2.030 319 Y HN 0.089 nan 8.280 nan 0.000 0.270 320 D N 2.510 123.088 120.400 0.297 0.000 2.390 320 D HA 0.368 5.008 4.640 0.000 0.000 0.249 320 D C -1.979 174.369 176.300 0.080 0.000 1.144 320 D CA -1.264 52.826 54.000 0.150 0.000 0.880 320 D CB 0.874 41.789 40.800 0.193 0.000 1.182 320 D HN 0.200 nan 8.370 nan 0.000 0.451 321 P HA 0.187 nan 4.420 nan 0.000 0.357 321 P C -0.912 176.288 177.300 -0.166 0.000 1.462 321 P CA -0.365 62.642 63.100 -0.154 0.000 1.508 321 P CB 0.313 31.763 31.700 -0.416 0.000 1.681 322 S N 0.944 116.576 115.700 -0.113 0.000 3.599 322 S HA 0.060 4.531 4.470 0.000 0.000 0.432 322 S C 1.325 175.860 174.600 -0.109 0.000 1.126 322 S CA 1.823 59.963 58.200 -0.100 0.000 0.866 322 S CB -0.980 62.188 63.200 -0.054 0.000 0.817 322 S HN 0.708 nan 8.310 nan 0.000 0.420 323 K N -2.793 117.546 120.400 -0.102 0.000 3.384 323 K HA 0.115 4.435 4.320 0.000 0.000 0.249 323 K C -0.284 176.252 176.600 -0.106 0.000 1.267 323 K CA 1.859 58.092 56.287 -0.091 0.000 0.906 323 K CB -2.393 30.059 32.500 -0.080 0.000 1.592 323 K HN 1.927 nan 8.250 nan 0.000 0.549 324 D N -0.528 119.791 120.400 -0.136 0.000 2.308 324 D HA 0.888 5.528 4.640 0.000 0.000 0.242 324 D C 1.844 178.040 176.300 -0.174 0.000 1.059 324 D CA 0.217 54.128 54.000 -0.149 0.000 0.830 324 D CB 0.843 41.544 40.800 -0.165 0.000 1.161 324 D HN 1.695 nan 8.370 nan 0.000 0.494 325 L N 1.400 122.525 121.223 -0.164 0.000 2.288 325 L HA 0.138 4.479 4.340 0.000 0.000 0.218 325 L C 3.044 179.767 176.870 -0.245 0.000 1.088 325 L CA 3.560 58.292 54.840 -0.181 0.000 0.786 325 L CB -2.226 39.730 42.059 -0.171 0.000 0.889 325 L HN 2.574 nan 8.230 nan 0.000 0.441 326 I N -3.095 117.292 120.570 -0.306 0.000 6.431 326 I HA 0.327 4.497 4.170 0.000 0.000 0.126 326 I C 0.905 176.751 176.117 -0.451 0.000 1.825 326 I CA 0.311 61.369 61.300 -0.404 0.000 2.040 326 I CB -2.475 35.267 38.000 -0.429 0.000 3.487 326 I HN 2.472 nan 8.210 nan 0.000 0.170 327 A N 1.381 123.875 122.820 -0.543 0.000 2.448 327 A HA 0.939 5.259 4.320 0.000 0.000 0.239 327 A C 0.767 177.977 177.584 -0.624 0.000 1.080 327 A CA 1.024 52.689 52.037 -0.620 0.000 0.779 327 A CB 0.265 18.780 19.000 -0.807 0.000 1.026 327 A HN 2.706 nan 8.150 nan 0.000 0.499 328 E N -0.933 118.984 120.200 -0.472 0.000 2.361 328 E HA 0.552 4.902 4.350 0.000 0.000 0.270 328 E C -0.865 175.658 176.600 -0.128 0.000 0.911 328 E CA 0.044 56.275 56.400 -0.282 0.000 0.818 328 E CB 0.380 29.775 29.700 -0.508 0.000 1.332 328 E HN 2.309 nan 8.360 nan 0.000 0.402 329 I N 0.007 120.677 120.570 0.166 0.000 2.493 329 I HA 0.962 5.133 4.170 0.000 0.000 0.298 329 I C 0.482 176.737 176.117 0.230 0.000 0.998 329 I CA -0.430 60.991 61.300 0.201 0.000 1.137 329 I CB 1.108 39.262 38.000 0.256 0.000 1.310 329 I HN 1.154 nan 8.210 nan 0.000 0.445 330 Q N 3.689 123.617 119.800 0.213 0.000 2.636 330 Q HA 0.607 4.947 4.340 0.000 0.000 0.233 330 Q C 0.322 176.408 176.000 0.143 0.000 1.143 330 Q CA -0.347 55.590 55.803 0.224 0.000 0.969 330 Q CB -0.149 28.724 28.738 0.225 0.000 1.185 330 Q HN 1.882 nan 8.270 nan 0.000 0.546 331 K N 1.155 121.628 120.400 0.122 0.000 2.199 331 K HA 0.535 4.855 4.320 0.000 0.000 0.226 331 K C 0.468 177.109 176.600 0.069 0.000 1.237 331 K CA 0.464 56.792 56.287 0.069 0.000 1.170 331 K CB -0.971 31.551 32.500 0.036 0.000 1.418 331 K HN 1.193 nan 8.250 nan 0.000 0.255 332 Q N -0.106 119.739 119.800 0.074 0.000 2.261 332 Q HA 0.654 4.994 4.340 0.000 0.000 0.252 332 Q C 0.874 176.897 176.000 0.038 0.000 0.915 332 Q CA -0.341 55.503 55.803 0.068 0.000 0.915 332 Q CB 1.085 29.873 28.738 0.084 0.000 1.204 332 Q HN 1.848 nan 8.270 nan 0.000 0.421 333 G N -0.583 108.236 108.800 0.032 0.000 2.519 333 G HA2 0.424 4.384 3.960 0.000 0.000 0.229 333 G HA3 0.424 4.384 3.960 0.000 0.000 0.229 333 G C 0.199 175.109 174.900 0.017 0.000 1.333 333 G CA 0.746 45.858 45.100 0.021 0.000 0.939 333 G HN 1.488 nan 8.290 nan 0.000 0.501 334 Q N -0.011 119.796 119.800 0.012 0.000 2.244 334 Q HA 0.618 4.958 4.340 0.000 0.000 0.239 334 Q C 1.901 177.903 176.000 0.002 0.000 0.890 334 Q CA 1.016 56.823 55.803 0.006 0.000 0.964 334 Q CB -0.148 28.592 28.738 0.004 0.000 1.076 334 Q HN 2.402 nan 8.270 nan 0.000 0.447 335 G N -3.344 105.459 108.800 0.005 0.000 2.162 335 G HA2 0.136 4.096 3.960 0.000 0.000 0.260 335 G HA3 0.136 4.096 3.960 0.000 0.000 0.260 335 G C 0.409 175.304 174.900 -0.010 0.000 0.976 335 G CA 1.223 46.324 45.100 0.002 0.000 0.655 335 G HN 1.804 nan 8.290 nan 0.000 0.533 336 Q N -2.810 116.982 119.800 -0.013 0.000 2.816 336 Q HA 0.803 5.143 4.340 0.000 0.000 0.351 336 Q C -0.456 175.533 176.000 -0.018 0.000 0.761 336 Q CA 0.477 56.257 55.803 -0.038 0.000 0.852 336 Q CB 0.453 29.160 28.738 -0.051 0.000 1.280 336 Q HN 2.184 nan 8.270 nan 0.000 0.513 337 W N 0.854 122.139 121.300 -0.025 0.000 2.839 337 W HA 0.765 5.425 4.660 0.000 0.000 0.334 337 W C 0.133 176.729 176.519 0.127 0.000 1.064 337 W CA -0.113 57.271 57.345 0.065 0.000 1.236 337 W CB 0.794 30.331 29.460 0.128 0.000 1.405 337 W HN 1.493 nan 8.180 nan 0.000 0.478 338 T N -0.223 114.412 114.554 0.134 0.000 2.887 338 T HA 0.811 5.161 4.350 0.000 0.000 0.292 338 T C -0.856 173.967 174.700 0.204 0.000 1.087 338 T CA -0.137 62.025 62.100 0.104 0.000 1.009 338 T CB 1.941 70.815 68.868 0.011 0.000 1.203 338 T HN 1.983 nan 8.240 nan 0.000 0.518 339 Y N -1.448 118.926 120.300 0.123 0.000 2.624 339 Y HA 0.695 5.245 4.550 0.000 0.000 0.334 339 Y C -1.702 174.269 175.900 0.118 0.000 1.155 339 Y CA -1.296 56.881 58.100 0.128 0.000 1.046 339 Y CB 1.440 40.001 38.460 0.168 0.000 1.316 339 Y HN 0.890 nan 8.280 nan 0.000 0.457 340 Q N 3.203 123.229 119.800 0.376 0.000 2.285 340 Q HA 0.474 4.814 4.340 0.000 0.000 0.269 340 Q C -1.714 174.520 176.000 0.389 0.000 1.030 340 Q CA -0.808 55.169 55.803 0.290 0.000 0.788 340 Q CB 2.846 31.629 28.738 0.075 0.000 1.266 340 Q HN 0.708 nan 8.270 nan 0.000 0.438 341 I N 4.438 125.241 120.570 0.388 0.000 2.325 341 I HA 0.360 4.530 4.170 0.000 0.000 0.291 341 I C -0.370 175.895 176.117 0.247 0.000 1.019 341 I CA -0.567 60.880 61.300 0.246 0.000 1.302 341 I CB -0.699 37.448 38.000 0.245 0.000 1.401 341 I HN 0.637 nan 8.210 nan 0.000 0.485 342 Y N 4.485 124.723 120.300 -0.103 0.000 2.638 342 Y HA 0.673 5.223 4.550 0.000 0.000 0.339 342 Y C 0.281 176.087 175.900 -0.157 0.000 1.084 342 Y CA -1.126 56.913 58.100 -0.102 0.000 1.068 342 Y CB 0.837 39.262 38.460 -0.058 0.000 1.294 342 Y HN 0.369 nan 8.280 nan 0.000 0.480 343 Q N 0.523 120.333 119.800 0.017 0.000 2.530 343 Q HA 0.246 4.586 4.340 0.000 0.000 0.198 343 Q C -0.781 175.197 176.000 -0.037 0.000 0.956 343 Q CA 1.030 56.766 55.803 -0.113 0.000 0.870 343 Q CB 0.514 29.212 28.738 -0.067 0.000 1.050 343 Q HN 0.758 nan 8.270 nan 0.000 0.604 344 E N 0.181 120.453 120.200 0.119 0.000 2.234 344 E HA 0.378 4.728 4.350 0.000 0.000 0.266 344 E C -2.268 174.452 176.600 0.200 0.000 0.877 344 E CA -1.702 54.780 56.400 0.136 0.000 0.758 344 E CB 1.783 31.546 29.700 0.104 0.000 1.170 344 E HN -0.020 nan 8.360 nan 0.000 0.415 345 P HA -0.312 nan 4.420 nan 0.000 0.276 345 P C 0.634 177.915 177.300 -0.032 0.000 0.829 345 P CA 1.511 64.657 63.100 0.076 0.000 1.019 345 P CB -0.526 31.279 31.700 0.174 0.000 0.895 346 F N -0.081 119.867 119.950 -0.004 0.000 1.986 346 F HA 0.063 4.591 4.527 0.000 0.000 0.299 346 F C 1.965 177.722 175.800 -0.071 0.000 1.365 346 F CA 1.698 59.665 58.000 -0.054 0.000 1.170 346 F CB -1.713 37.257 39.000 -0.049 0.000 0.939 346 F HN 0.046 nan 8.300 nan 0.000 0.511 347 K N 1.828 122.318 120.400 0.150 0.000 2.464 347 K HA -0.117 4.203 4.320 0.000 0.000 0.265 347 K C -0.149 176.459 176.600 0.013 0.000 1.055 347 K CA 0.393 56.695 56.287 0.024 0.000 1.161 347 K CB -1.688 30.799 32.500 -0.021 0.000 0.804 347 K HN 0.397 nan 8.250 nan 0.000 0.486 348 N N 0.966 119.640 118.700 -0.044 0.000 2.347 348 N HA 0.426 5.167 4.740 0.000 0.000 0.253 348 N C 1.205 176.756 175.510 0.068 0.000 1.274 348 N CA -0.632 52.415 53.050 -0.005 0.000 0.941 348 N CB 0.902 39.356 38.487 -0.055 0.000 1.200 348 N HN 0.541 nan 8.380 nan 0.000 0.514 349 L N -0.497 120.824 121.223 0.163 0.000 2.433 349 L HA 0.286 4.626 4.340 0.000 0.000 0.200 349 L C 0.321 177.454 176.870 0.439 0.000 1.059 349 L CA 0.611 55.611 54.840 0.266 0.000 0.835 349 L CB 0.242 42.397 42.059 0.160 0.000 1.076 349 L HN 0.333 nan 8.230 nan 0.000 0.481 350 K N -0.278 120.349 120.400 0.378 0.000 2.557 350 K HA 0.336 4.656 4.320 0.000 0.000 0.261 350 K C -1.623 175.159 176.600 0.303 0.000 0.932 350 K CA -0.270 56.286 56.287 0.449 0.000 0.829 350 K CB 2.223 35.078 32.500 0.593 0.000 1.358 350 K HN -0.259 nan 8.250 nan 0.000 0.430 351 T N 1.249 115.913 114.554 0.182 0.000 2.809 351 T HA 0.705 5.055 4.350 0.000 0.000 0.284 351 T C -0.502 174.115 174.700 -0.140 0.000 0.992 351 T CA -0.599 61.496 62.100 -0.009 0.000 0.957 351 T CB 1.468 70.306 68.868 -0.050 0.000 0.942 351 T HN 0.637 nan 8.240 nan 0.000 0.439 352 G N 2.555 110.984 108.800 -0.619 0.000 2.706 352 G HA2 0.612 4.572 3.960 0.000 0.000 0.297 352 G HA3 0.612 4.572 3.960 0.000 0.000 0.297 352 G C -0.787 173.521 174.900 -0.985 0.000 1.403 352 G CA -0.860 43.807 45.100 -0.721 0.000 0.954 352 G HN 0.556 nan 8.290 nan 0.000 0.500 353 K N -0.488 119.730 120.400 -0.303 0.000 2.836 353 K HA 0.641 4.961 4.320 0.000 0.000 0.300 353 K C -1.165 175.573 176.600 0.230 0.000 1.004 353 K CA -0.752 55.493 56.287 -0.070 0.000 1.140 353 K CB 0.648 33.152 32.500 0.007 0.000 1.458 353 K HN 0.444 nan 8.250 nan 0.000 0.550 354 Y N -0.126 120.236 120.300 0.103 0.000 2.110 354 Y HA 0.301 4.851 4.550 0.000 0.000 0.312 354 Y C -2.001 173.960 175.900 0.102 0.000 1.176 354 Y CA -0.934 57.255 58.100 0.148 0.000 1.670 354 Y CB -0.263 38.326 38.460 0.214 0.000 1.272 354 Y HN 0.591 nan 8.280 nan 0.000 0.393 355 A N 3.292 125.925 122.820 -0.313 0.000 2.310 355 A HA 0.898 5.218 4.320 0.000 0.000 0.299 355 A C 0.192 177.423 177.584 -0.588 0.000 1.147 355 A CA -0.106 51.716 52.037 -0.359 0.000 0.818 355 A CB 0.352 19.279 19.000 -0.122 0.000 1.096 355 A HN 1.185 nan 8.150 nan 0.000 0.495 356 R N 3.111 123.312 120.500 -0.498 0.000 2.471 356 R HA 0.480 4.820 4.340 0.000 0.000 0.292 356 R C 0.030 176.301 176.300 -0.048 0.000 1.192 356 R CA -0.459 55.456 56.100 -0.309 0.000 1.257 356 R CB 0.189 30.357 30.300 -0.221 0.000 1.130 356 R HN 0.823 nan 8.270 nan 0.000 0.558 357 M N 2.533 122.140 119.600 0.012 0.000 3.596 357 M HA 0.278 4.758 4.480 0.000 0.000 0.212 357 M C -0.133 176.217 176.300 0.083 0.000 1.519 357 M CA -0.334 54.994 55.300 0.047 0.000 1.670 357 M CB -0.659 31.973 32.600 0.053 0.000 1.113 357 M HN 0.707 nan 8.290 nan 0.000 0.565 358 R N 1.060 121.616 120.500 0.093 0.000 3.009 358 R HA 0.589 4.929 4.340 0.000 0.000 0.278 358 R C -0.226 176.146 176.300 0.120 0.000 1.515 358 R CA -0.106 56.064 56.100 0.118 0.000 1.055 358 R CB -0.291 30.105 30.300 0.160 0.000 1.345 358 R HN 1.113 nan 8.270 nan 0.000 0.421 359 G N -0.301 108.556 108.800 0.095 0.000 2.428 359 G HA2 0.505 4.465 3.960 0.000 0.000 0.681 359 G HA3 0.505 4.465 3.960 0.000 0.000 0.681 359 G C -0.021 174.889 174.900 0.016 0.000 1.340 359 G CA -0.126 45.026 45.100 0.087 0.000 0.915 359 G HN 1.937 nan 8.290 nan 0.000 0.645 360 A N 1.136 123.940 122.820 -0.027 0.000 3.091 360 A HA 0.659 4.979 4.320 0.000 0.000 0.264 360 A C 0.861 178.361 177.584 -0.141 0.000 1.673 360 A CA 0.671 52.585 52.037 -0.206 0.000 1.362 360 A CB -1.470 17.429 19.000 -0.168 0.000 1.137 360 A HN 1.994 nan 8.150 nan 0.000 0.617 361 H N -0.490 118.609 119.070 0.050 0.000 2.929 361 H HA -0.120 4.436 4.556 0.000 0.000 0.341 361 H C -0.158 175.198 175.328 0.046 0.000 1.258 361 H CA 0.192 56.269 56.048 0.047 0.000 1.185 361 H CB -2.124 27.666 29.762 0.048 0.000 1.553 361 H HN 0.564 nan 8.280 nan 0.000 0.438 362 T N 1.664 116.315 114.554 0.161 0.000 2.758 362 T HA 0.000 4.350 4.350 0.000 0.000 0.281 362 T C 0.931 175.648 174.700 0.028 0.000 0.963 362 T CA 0.240 62.401 62.100 0.102 0.000 1.201 362 T CB 0.011 68.957 68.868 0.129 0.000 0.906 362 T HN 0.450 nan 8.240 nan 0.000 0.528 363 N N 3.338 121.988 118.700 -0.083 0.000 2.146 363 N HA -0.068 4.672 4.740 0.000 0.000 0.215 363 N C 0.775 176.168 175.510 -0.195 0.000 1.313 363 N CA -0.453 52.478 53.050 -0.198 0.000 0.877 363 N CB 0.448 38.645 38.487 -0.484 0.000 1.076 363 N HN 0.453 nan 8.380 nan 0.000 0.437 364 D N 0.008 120.255 120.400 -0.256 0.000 2.087 364 D HA -0.136 4.504 4.640 0.000 0.000 0.192 364 D C 2.009 178.178 176.300 -0.218 0.000 0.993 364 D CA 1.057 54.924 54.000 -0.222 0.000 0.828 364 D CB -0.638 39.959 40.800 -0.338 0.000 0.968 364 D HN 0.255 nan 8.370 nan 0.000 0.448 365 V N 0.972 120.667 119.914 -0.364 0.000 2.252 365 V HA -0.260 3.860 4.120 0.000 0.000 0.249 365 V C 2.358 178.314 176.094 -0.230 0.000 1.056 365 V CA 1.772 63.866 62.300 -0.343 0.000 1.022 365 V CB -0.392 31.037 31.823 -0.657 0.000 0.641 365 V HN 0.069 nan 8.190 nan 0.000 0.445 366 K N 0.111 120.324 120.400 -0.312 0.000 2.288 366 K HA -0.050 4.270 4.320 0.000 0.000 0.201 366 K C 2.133 178.759 176.600 0.043 0.000 1.048 366 K CA 1.616 57.861 56.287 -0.071 0.000 0.956 366 K CB -0.376 32.094 32.500 -0.049 0.000 0.746 366 K HN 0.594 nan 8.250 nan 0.000 0.461 367 Q N 0.093 119.916 119.800 0.038 0.000 2.212 367 Q HA 0.136 4.476 4.340 0.000 0.000 0.199 367 Q C 2.006 178.136 176.000 0.218 0.000 0.950 367 Q CA 1.205 57.111 55.803 0.172 0.000 0.863 367 Q CB -0.662 28.139 28.738 0.105 0.000 0.944 367 Q HN 0.284 nan 8.270 nan 0.000 0.465 368 L N 0.999 122.286 121.223 0.106 0.000 1.994 368 L HA -0.127 4.213 4.340 0.000 0.000 0.208 368 L C 2.527 179.448 176.870 0.086 0.000 1.071 368 L CA 2.994 57.888 54.840 0.090 0.000 0.745 368 L CB -0.884 41.192 42.059 0.028 0.000 0.892 368 L HN 0.449 nan 8.230 nan 0.000 0.431 369 T N -0.631 114.011 114.554 0.147 0.000 2.665 369 T HA -0.233 4.117 4.350 0.000 0.000 0.268 369 T C 1.684 176.409 174.700 0.043 0.000 1.035 369 T CA 1.731 63.927 62.100 0.159 0.000 1.151 369 T CB -0.385 68.626 68.868 0.238 0.000 0.862 369 T HN 0.457 nan 8.240 nan 0.000 0.438 370 E N 1.010 121.242 120.200 0.054 0.000 2.171 370 E HA -0.152 4.198 4.350 0.000 0.000 0.197 370 E C 2.421 178.835 176.600 -0.311 0.000 0.997 370 E CA 1.099 57.467 56.400 -0.053 0.000 0.810 370 E CB -0.213 29.537 29.700 0.083 0.000 0.738 370 E HN 0.551 nan 8.360 nan 0.000 0.467 371 A N 0.582 123.265 122.820 -0.228 0.000 2.016 371 A HA -0.030 4.290 4.320 0.000 0.000 0.217 371 A C 2.348 179.843 177.584 -0.149 0.000 1.162 371 A CA 0.427 52.311 52.037 -0.255 0.000 0.662 371 A CB -0.046 19.039 19.000 0.140 0.000 0.812 371 A HN 0.092 nan 8.150 nan 0.000 0.450 372 V N -0.371 119.446 119.914 -0.161 0.000 2.626 372 V HA -0.167 3.953 4.120 0.000 0.000 0.252 372 V C 2.152 178.167 176.094 -0.132 0.000 1.067 372 V CA 1.920 64.058 62.300 -0.269 0.000 1.081 372 V CB -0.474 31.014 31.823 -0.558 0.000 0.686 372 V HN 0.599 nan 8.190 nan 0.000 0.468 373 Q N -0.602 119.133 119.800 -0.108 0.000 2.228 373 Q HA 0.093 4.433 4.340 0.000 0.000 0.211 373 Q C 1.663 177.634 176.000 -0.048 0.000 0.890 373 Q CA 0.467 56.242 55.803 -0.047 0.000 0.953 373 Q CB 0.108 28.830 28.738 -0.027 0.000 1.053 373 Q HN 0.628 nan 8.270 nan 0.000 0.471 374 K N -1.296 119.057 120.400 -0.078 0.000 2.424 374 K HA 0.185 4.506 4.320 0.000 0.000 0.200 374 K C 1.235 177.802 176.600 -0.054 0.000 1.279 374 K CA 0.210 56.463 56.287 -0.058 0.000 0.918 374 K CB 0.298 32.745 32.500 -0.088 0.000 1.287 374 K HN 0.173 nan 8.250 nan 0.000 0.502 375 I N 2.037 122.525 120.570 -0.135 0.000 2.110 375 I HA -0.177 3.993 4.170 0.000 0.000 0.236 375 I C 2.834 178.989 176.117 0.063 0.000 1.068 375 I CA 1.966 63.162 61.300 -0.174 0.000 1.333 375 I CB -0.775 37.115 38.000 -0.183 0.000 1.054 375 I HN 0.442 nan 8.210 nan 0.000 0.402 376 T N 0.047 114.706 114.554 0.175 0.000 2.624 376 T HA -0.275 4.075 4.350 0.000 0.000 0.268 376 T C 1.922 176.686 174.700 0.107 0.000 1.041 376 T CA 2.995 65.206 62.100 0.185 0.000 1.159 376 T CB -1.104 67.862 68.868 0.165 0.000 0.863 376 T HN 0.247 nan 8.240 nan 0.000 0.434 377 T N 0.653 115.245 114.554 0.064 0.000 2.746 377 T HA -0.049 4.301 4.350 0.000 0.000 0.267 377 T C 2.030 176.753 174.700 0.039 0.000 1.039 377 T CA 1.550 63.679 62.100 0.047 0.000 1.142 377 T CB -0.208 68.679 68.868 0.031 0.000 0.866 377 T HN 0.742 nan 8.240 nan 0.000 0.444 378 E N 0.855 121.079 120.200 0.040 0.000 2.051 378 E HA -0.128 4.222 4.350 0.000 0.000 0.192 378 E C 2.288 178.873 176.600 -0.024 0.000 0.991 378 E CA 1.357 57.771 56.400 0.023 0.000 0.799 378 E CB -0.038 29.706 29.700 0.074 0.000 0.748 378 E HN 0.414 nan 8.360 nan 0.000 0.449 379 S N 0.880 116.644 115.700 0.108 0.000 2.356 379 S HA -0.160 4.310 4.470 0.000 0.000 0.223 379 S C 1.999 176.687 174.600 0.146 0.000 1.032 379 S CA 1.248 59.619 58.200 0.285 0.000 1.005 379 S CB -0.356 63.072 63.200 0.380 0.000 0.867 379 S HN 0.313 nan 8.310 nan 0.000 0.449 380 I N 1.313 121.946 120.570 0.104 0.000 2.530 380 I HA -0.142 4.028 4.170 0.000 0.000 0.257 380 I C 1.832 177.953 176.117 0.006 0.000 1.179 380 I CA 0.864 62.207 61.300 0.071 0.000 1.440 380 I CB -0.269 37.772 38.000 0.069 0.000 1.087 380 I HN 0.182 nan 8.210 nan 0.000 0.440 381 V N 0.253 120.134 119.914 -0.054 0.000 2.795 381 V HA -0.075 4.046 4.120 0.000 0.000 0.243 381 V C 2.167 178.135 176.094 -0.209 0.000 1.069 381 V CA 0.733 62.977 62.300 -0.094 0.000 1.089 381 V CB 0.019 31.796 31.823 -0.076 0.000 0.756 381 V HN 0.203 nan 8.190 nan 0.000 0.471 382 I N -0.897 119.416 120.570 -0.427 0.000 2.286 382 I HA -0.129 4.042 4.170 0.000 0.000 0.245 382 I C 1.928 177.521 176.117 -0.874 0.000 1.104 382 I CA 1.787 62.586 61.300 -0.834 0.000 1.397 382 I CB -0.779 36.283 38.000 -1.564 0.000 1.072 382 I HN 0.456 nan 8.210 nan 0.000 0.417 383 W N 0.319 121.612 121.300 -0.012 0.000 2.714 383 W HA 0.429 5.089 4.660 0.000 0.000 0.353 383 W C 1.157 177.666 176.519 -0.016 0.000 0.999 383 W CA 0.425 57.755 57.345 -0.024 0.000 1.629 383 W CB -0.218 29.224 29.460 -0.030 0.000 1.106 383 W HN 0.342 nan 8.180 nan 0.000 0.545 384 G N 2.764 111.635 108.800 0.119 0.000 2.212 384 G HA2 -0.285 3.675 3.960 0.000 0.000 0.255 384 G HA3 -0.285 3.675 3.960 0.000 0.000 0.255 384 G C -0.027 174.939 174.900 0.110 0.000 1.062 384 G CA 0.999 46.152 45.100 0.087 0.000 0.815 384 G HN 0.293 nan 8.290 nan 0.000 0.497 385 K N -1.131 119.361 120.400 0.153 0.000 2.685 385 K HA 0.536 4.856 4.320 0.000 0.000 0.290 385 K C -0.672 176.016 176.600 0.147 0.000 1.018 385 K CA -0.298 56.065 56.287 0.127 0.000 0.860 385 K CB 0.446 33.003 32.500 0.095 0.000 1.498 385 K HN 0.156 nan 8.250 nan 0.000 0.390 386 T N 3.128 117.748 114.554 0.109 0.000 2.875 386 T HA 0.434 4.784 4.350 0.000 0.000 0.284 386 T C -2.311 172.407 174.700 0.029 0.000 0.995 386 T CA -1.184 60.985 62.100 0.116 0.000 1.060 386 T CB 1.200 70.160 68.868 0.153 0.000 0.967 386 T HN 0.470 nan 8.240 nan 0.000 0.476 387 P HA 0.288 nan 4.420 nan 0.000 0.276 387 P C -0.630 176.453 177.300 -0.362 0.000 1.252 387 P CA -0.738 62.171 63.100 -0.317 0.000 0.802 387 P CB 0.931 32.308 31.700 -0.539 0.000 1.035 388 K N 0.955 121.142 120.400 -0.354 0.000 2.185 388 K HA 0.346 4.666 4.320 0.000 0.000 0.271 388 K C -0.448 175.919 176.600 -0.388 0.000 1.013 388 K CA -0.101 56.052 56.287 -0.224 0.000 0.943 388 K CB 0.317 32.699 32.500 -0.197 0.000 0.998 388 K HN 0.404 nan 8.250 nan 0.000 0.468 389 F N 1.570 121.497 119.950 -0.039 0.000 2.444 389 F HA 0.278 4.805 4.527 0.000 0.000 0.342 389 F C 0.442 176.245 175.800 0.005 0.000 1.121 389 F CA -0.613 57.375 58.000 -0.020 0.000 0.997 389 F CB 1.521 40.519 39.000 -0.005 0.000 1.130 389 F HN 0.151 nan 8.300 nan 0.000 0.454 390 K N 4.517 124.994 120.400 0.129 0.000 2.347 390 K HA 0.460 4.780 4.320 0.000 0.000 0.262 390 K C -1.359 175.325 176.600 0.140 0.000 1.052 390 K CA -0.648 55.709 56.287 0.115 0.000 0.946 390 K CB 0.896 33.441 32.500 0.074 0.000 1.220 390 K HN 0.354 nan 8.250 nan 0.000 0.450 391 L N 5.315 126.612 121.223 0.122 0.000 2.295 391 L HA 0.317 4.657 4.340 0.000 0.000 0.285 391 L C -1.610 175.305 176.870 0.074 0.000 1.035 391 L CA -2.139 52.708 54.840 0.012 0.000 0.806 391 L CB 1.389 43.289 42.059 -0.265 0.000 1.214 391 L HN 0.438 nan 8.230 nan 0.000 0.426 392 P HA 0.027 nan 4.420 nan 0.000 0.252 392 P C 0.336 177.619 177.300 -0.029 0.000 1.265 392 P CA 0.566 63.718 63.100 0.086 0.000 0.775 392 P CB 0.532 32.253 31.700 0.035 0.000 1.128 393 I N -0.015 120.457 120.570 -0.163 0.000 3.573 393 I HA 0.434 4.604 4.170 0.000 0.000 0.285 393 I C -0.842 175.018 176.117 -0.427 0.000 1.203 393 I CA -1.005 60.105 61.300 -0.316 0.000 1.033 393 I CB 1.804 39.595 38.000 -0.349 0.000 1.348 393 I HN -0.194 nan 8.210 nan 0.000 0.525 394 Q N 0.780 120.359 119.800 -0.369 0.000 2.616 394 Q HA 0.333 4.673 4.340 0.000 0.000 0.254 394 Q C -0.515 175.528 176.000 0.071 0.000 0.975 394 Q CA -0.863 54.822 55.803 -0.197 0.000 0.976 394 Q CB 1.029 29.264 28.738 -0.838 0.000 1.594 394 Q HN 0.533 nan 8.270 nan 0.000 0.425 395 K N 0.855 121.492 120.400 0.395 0.000 2.557 395 K HA -0.411 3.909 4.320 0.000 0.000 0.101 395 K C 0.747 177.456 176.600 0.182 0.000 0.727 395 K CA 1.987 58.475 56.287 0.336 0.000 0.816 395 K CB -0.703 31.902 32.500 0.176 0.000 0.294 395 K HN 0.875 nan 8.250 nan 0.000 1.060 396 E N -0.372 119.863 120.200 0.059 0.000 2.722 396 E HA -0.325 4.025 4.350 0.000 0.000 0.245 396 E C 1.927 178.498 176.600 -0.049 0.000 1.004 396 E CA 2.828 59.218 56.400 -0.017 0.000 1.405 396 E CB -1.511 28.164 29.700 -0.042 0.000 1.325 396 E HN 0.681 nan 8.360 nan 0.000 0.479 397 T N -0.955 113.560 114.554 -0.064 0.000 2.595 397 T HA -0.220 4.130 4.350 0.000 0.000 0.264 397 T C 1.645 176.300 174.700 -0.075 0.000 1.058 397 T CA 1.655 63.683 62.100 -0.120 0.000 1.166 397 T CB -0.905 67.861 68.868 -0.170 0.000 0.863 397 T HN 0.304 nan 8.240 nan 0.000 0.415 398 W N 1.799 123.027 121.300 -0.120 0.000 2.332 398 W HA -0.065 4.595 4.660 0.000 0.000 0.321 398 W C 2.569 179.013 176.519 -0.125 0.000 1.219 398 W CA 1.471 58.807 57.345 -0.014 0.000 1.277 398 W CB -0.620 28.910 29.460 0.115 0.000 1.161 398 W HN 0.358 nan 8.180 nan 0.000 0.476 399 E N -1.315 118.953 120.200 0.112 0.000 2.110 399 E HA -0.409 3.941 4.350 0.000 0.000 0.225 399 E C 2.116 178.231 176.600 -0.810 0.000 1.063 399 E CA 2.854 59.076 56.400 -0.297 0.000 0.906 399 E CB -0.726 28.927 29.700 -0.079 0.000 0.795 399 E HN 0.401 nan 8.360 nan 0.000 0.479 400 T N 0.509 114.812 114.554 -0.418 0.000 2.788 400 T HA -0.211 4.140 4.350 0.000 0.000 0.268 400 T C 1.535 176.050 174.700 -0.308 0.000 1.044 400 T CA 1.441 63.331 62.100 -0.351 0.000 1.139 400 T CB -0.785 67.984 68.868 -0.165 0.000 0.867 400 T HN 0.450 nan 8.240 nan 0.000 0.454 401 W N 1.303 122.303 121.300 -0.500 0.000 2.333 401 W HA -0.148 4.512 4.660 0.000 0.000 0.316 401 W C 2.365 178.697 176.519 -0.312 0.000 1.215 401 W CA 1.527 58.623 57.345 -0.415 0.000 1.278 401 W CB -0.360 28.810 29.460 -0.483 0.000 1.154 401 W HN 0.665 nan 8.180 nan 0.000 0.486 402 W N 0.537 121.654 121.300 -0.306 0.000 2.358 402 W HA -0.136 4.524 4.660 0.000 0.000 0.303 402 W C 1.727 178.121 176.519 -0.208 0.000 1.208 402 W CA 1.482 58.620 57.345 -0.345 0.000 1.274 402 W CB -1.780 27.476 29.460 -0.340 0.000 1.138 402 W HN -0.227 nan 8.180 nan 0.000 0.515 403 T N 1.540 115.937 114.554 -0.262 0.000 2.778 403 T HA -0.227 4.123 4.350 0.000 0.000 0.269 403 T C 0.848 175.494 174.700 -0.090 0.000 1.050 403 T CA 2.193 64.189 62.100 -0.174 0.000 1.137 403 T CB -0.272 68.255 68.868 -0.569 0.000 0.860 403 T HN 0.339 nan 8.240 nan 0.000 0.468 404 E N -0.928 119.172 120.200 -0.167 0.000 2.810 404 E HA 0.154 4.504 4.350 0.000 0.000 0.214 404 E C -0.786 175.686 176.600 -0.214 0.000 0.980 404 E CA -0.388 55.936 56.400 -0.127 0.000 1.159 404 E CB 0.540 30.197 29.700 -0.071 0.000 1.047 404 E HN 0.345 nan 8.360 nan 0.000 0.484 405 Y N 0.989 120.928 120.300 -0.601 0.000 2.304 405 Y HA 0.073 4.623 4.550 0.000 0.000 0.328 405 Y C 0.685 176.251 175.900 -0.558 0.000 1.123 405 Y CA -1.962 55.554 58.100 -0.973 0.000 1.218 405 Y CB 0.418 37.948 38.460 -1.550 0.000 1.207 405 Y HN 0.215 nan 8.280 nan 0.000 0.495 406 W N 4.947 125.953 121.300 -0.491 0.000 2.560 406 W HA -0.003 4.657 4.660 0.000 0.000 0.252 406 W C -0.274 175.908 176.519 -0.560 0.000 1.242 406 W CA 0.865 57.945 57.345 -0.442 0.000 1.242 406 W CB -0.668 28.622 29.460 -0.282 0.000 1.136 406 W HN 0.616 nan 8.180 nan 0.000 0.625 407 Q N 0.454 119.385 119.800 -1.448 0.000 2.873 407 Q HA 0.780 5.120 4.340 0.000 0.000 0.297 407 Q C -1.036 174.632 176.000 -0.552 0.000 1.064 407 Q CA -0.911 54.373 55.803 -0.866 0.000 0.816 407 Q CB 1.408 29.567 28.738 -0.965 0.000 1.481 407 Q HN 0.020 nan 8.270 nan 0.000 0.488 408 A N 0.038 122.679 122.820 -0.298 0.000 2.311 408 A HA 0.865 5.185 4.320 0.000 0.000 0.334 408 A C -0.549 176.989 177.584 -0.077 0.000 1.139 408 A CA -0.165 51.783 52.037 -0.149 0.000 0.830 408 A CB 1.903 20.856 19.000 -0.078 0.000 1.234 408 A HN 0.669 nan 8.150 nan 0.000 0.483 409 T N 0.159 114.711 114.554 -0.003 0.000 2.907 409 T HA 0.465 4.815 4.350 0.000 0.000 0.344 409 T C -2.433 172.359 174.700 0.154 0.000 1.675 409 T CA -0.331 61.809 62.100 0.066 0.000 1.076 409 T CB 0.822 69.722 68.868 0.053 0.000 1.483 409 T HN 0.970 nan 8.240 nan 0.000 0.487 410 W N 5.837 127.127 121.300 -0.016 0.000 3.097 410 W HA 0.725 5.386 4.660 0.000 0.000 0.335 410 W C -2.343 174.203 176.519 0.045 0.000 1.114 410 W CA -0.908 56.420 57.345 -0.028 0.000 1.231 410 W CB 1.363 30.788 29.460 -0.059 0.000 1.388 410 W HN 0.759 nan 8.180 nan 0.000 0.485 411 I N 8.061 128.077 120.570 -0.922 0.000 2.498 411 I HA 0.403 4.574 4.170 0.000 0.000 0.290 411 I C -1.989 173.680 176.117 -0.747 0.000 1.032 411 I CA -2.230 58.708 61.300 -0.603 0.000 1.073 411 I CB 2.516 40.363 38.000 -0.255 0.000 1.251 411 I HN 0.198 nan 8.210 nan 0.000 0.426 412 P HA 0.031 nan 4.420 nan 0.000 0.272 412 P C -1.079 176.165 177.300 -0.093 0.000 1.248 412 P CA -0.212 62.836 63.100 -0.086 0.000 0.799 412 P CB 0.315 32.108 31.700 0.155 0.000 0.997 413 E N 0.750 120.938 120.200 -0.020 0.000 2.868 413 E HA -0.077 4.273 4.350 0.000 0.000 0.246 413 E C -0.460 176.195 176.600 0.092 0.000 0.962 413 E CA 0.755 57.122 56.400 -0.056 0.000 0.955 413 E CB -0.056 29.640 29.700 -0.007 0.000 0.903 413 E HN 0.397 nan 8.360 nan 0.000 0.524 414 W N 3.680 124.907 121.300 -0.122 0.000 2.819 414 W HA 0.465 5.125 4.660 0.000 0.000 0.337 414 W C -0.707 175.763 176.519 -0.081 0.000 1.077 414 W CA -0.957 56.327 57.345 -0.101 0.000 1.226 414 W CB 1.081 30.334 29.460 -0.344 0.000 1.419 414 W HN 0.287 nan 8.180 nan 0.000 0.502 415 E N 3.382 123.833 120.200 0.418 0.000 2.272 415 E HA 0.363 4.713 4.350 0.000 0.000 0.269 415 E C -1.605 175.202 176.600 0.345 0.000 0.877 415 E CA -0.873 55.722 56.400 0.325 0.000 0.755 415 E CB 2.647 32.418 29.700 0.118 0.000 1.192 415 E HN 0.383 nan 8.360 nan 0.000 0.422 416 F N 2.254 122.327 119.950 0.205 0.000 2.380 416 F HA 0.553 5.080 4.527 0.000 0.000 0.325 416 F C -1.063 174.770 175.800 0.055 0.000 1.136 416 F CA -0.671 57.390 58.000 0.100 0.000 1.171 416 F CB 1.102 40.172 39.000 0.118 0.000 1.230 416 F HN 0.210 nan 8.300 nan 0.000 0.554 417 V N 4.029 123.896 119.914 -0.078 0.000 2.711 417 V HA 0.194 4.314 4.120 0.000 0.000 0.304 417 V C -0.654 175.388 176.094 -0.087 0.000 1.097 417 V CA -1.295 60.788 62.300 -0.362 0.000 0.906 417 V CB 1.496 33.255 31.823 -0.107 0.000 1.015 417 V HN 0.786 nan 8.190 nan 0.000 0.427 418 N N 3.219 121.786 118.700 -0.221 0.000 2.411 418 N HA 0.371 5.111 4.740 0.000 0.000 0.265 418 N C 0.144 175.701 175.510 0.078 0.000 1.266 418 N CA 0.742 53.851 53.050 0.097 0.000 0.889 418 N CB 0.727 39.218 38.487 0.006 0.000 1.069 418 N HN 1.010 nan 8.380 nan 0.000 0.476 419 T N 1.075 115.700 114.554 0.119 0.000 2.671 419 T HA 0.246 4.597 4.350 0.000 0.000 0.287 419 T C -2.759 171.978 174.700 0.062 0.000 1.630 419 T CA -0.574 61.565 62.100 0.066 0.000 1.001 419 T CB -0.142 68.758 68.868 0.054 0.000 1.970 419 T HN 0.141 nan 8.240 nan 0.000 0.437 420 P HA 0.270 nan 4.420 nan 0.000 0.230 420 P C -1.689 175.617 177.300 0.011 0.000 1.791 420 P CA -0.963 62.156 63.100 0.031 0.000 1.020 420 P CB -0.385 31.331 31.700 0.028 0.000 1.977 421 P HA -0.423 nan 4.420 nan 0.000 0.231 421 P C 1.372 178.593 177.300 -0.132 0.000 0.982 421 P CA 3.120 66.185 63.100 -0.058 0.000 1.072 421 P CB -0.814 30.850 31.700 -0.060 0.000 0.706 422 L N -4.635 116.495 121.223 -0.155 0.000 4.914 422 L HA -0.238 4.102 4.340 0.000 0.000 0.443 422 L C 1.424 178.034 176.870 -0.433 0.000 1.095 422 L CA 2.288 56.970 54.840 -0.263 0.000 0.975 422 L CB -3.089 38.871 42.059 -0.165 0.000 1.914 422 L HN 0.516 nan 8.230 nan 0.000 0.837 423 V N -1.012 118.674 119.914 -0.380 0.000 2.456 423 V HA 0.544 4.664 4.120 0.000 0.000 0.247 423 V C 1.665 177.383 176.094 -0.626 0.000 1.056 423 V CA 1.917 63.970 62.300 -0.412 0.000 1.203 423 V CB -1.224 30.412 31.823 -0.313 0.000 1.185 423 V HN 1.911 nan 8.190 nan 0.000 0.477 424 K N 3.820 123.754 120.400 -0.777 0.000 2.809 424 K HA 0.407 4.727 4.320 0.000 0.000 0.224 424 K C 0.921 177.086 176.600 -0.725 0.000 0.946 424 K CA 1.085 56.750 56.287 -1.037 0.000 1.059 424 K CB -1.784 30.212 32.500 -0.841 0.000 0.877 424 K HN 2.092 nan 8.250 nan 0.000 0.478 425 L N -0.523 120.376 121.223 -0.538 0.000 2.912 425 L HA 0.248 4.588 4.340 0.000 0.000 0.246 425 L C 1.633 178.402 176.870 -0.168 0.000 1.371 425 L CA -0.172 54.470 54.840 -0.330 0.000 1.196 425 L CB -1.774 40.149 42.059 -0.227 0.000 1.596 425 L HN 0.691 nan 8.230 nan 0.000 0.429 426 W N 0.053 121.232 121.300 -0.202 0.000 2.355 426 W HA 0.015 4.675 4.660 0.000 0.000 0.309 426 W C 0.875 177.450 176.519 0.092 0.000 1.206 426 W CA 1.885 59.212 57.345 -0.029 0.000 1.284 426 W CB -0.251 29.264 29.460 0.091 0.000 1.145 426 W HN 0.805 nan 8.180 nan 0.000 0.502 427 Y N -1.702 118.698 120.300 0.166 0.000 2.399 427 Y HA 0.573 5.123 4.550 0.000 0.000 0.327 427 Y C -0.670 175.264 175.900 0.056 0.000 1.111 427 Y CA -2.043 56.110 58.100 0.088 0.000 1.047 427 Y CB 0.214 38.717 38.460 0.072 0.000 1.259 427 Y HN -0.243 nan 8.280 nan 0.000 0.434 428 Q N 2.573 122.431 119.800 0.096 0.000 2.297 428 Q HA 0.741 5.081 4.340 0.000 0.000 0.269 428 Q C -1.897 174.181 176.000 0.132 0.000 1.051 428 Q CA -0.893 54.945 55.803 0.057 0.000 0.869 428 Q CB 2.103 30.855 28.738 0.024 0.000 1.346 428 Q HN 0.908 nan 8.270 nan 0.000 0.457 429 L N 1.871 123.172 121.223 0.131 0.000 2.333 429 L HA 0.452 4.792 4.340 0.000 0.000 0.280 429 L C 0.077 177.042 176.870 0.158 0.000 1.004 429 L CA -0.870 54.064 54.840 0.157 0.000 0.820 429 L CB 1.793 43.953 42.059 0.167 0.000 1.247 429 L HN 0.582 nan 8.230 nan 0.000 0.416 430 E N 2.360 122.660 120.200 0.167 0.000 2.415 430 E HA -0.045 4.305 4.350 0.000 0.000 0.260 430 E C 0.691 177.426 176.600 0.225 0.000 1.016 430 E CA 0.258 56.742 56.400 0.141 0.000 0.924 430 E CB 1.311 31.068 29.700 0.095 0.000 0.961 430 E HN 0.687 nan 8.360 nan 0.000 0.459 431 K N 4.147 124.637 120.400 0.150 0.000 2.432 431 K HA -0.045 4.275 4.320 0.000 0.000 0.196 431 K C 0.523 177.170 176.600 0.078 0.000 1.038 431 K CA 0.925 57.326 56.287 0.189 0.000 0.986 431 K CB 0.153 32.727 32.500 0.122 0.000 0.782 431 K HN 0.365 nan 8.250 nan 0.000 0.485 432 E N 1.310 121.422 120.200 -0.145 0.000 2.186 432 E HA 0.206 4.556 4.350 0.000 0.000 0.255 432 E C -2.821 173.406 176.600 -0.622 0.000 0.881 432 E CA -2.637 53.574 56.400 -0.314 0.000 0.752 432 E CB 1.684 31.300 29.700 -0.140 0.000 1.176 432 E HN 0.152 nan 8.360 nan 0.000 0.421 433 P HA -0.133 nan 4.420 nan 0.000 0.247 433 P C 0.296 177.357 177.300 -0.397 0.000 1.115 433 P CA 0.666 63.108 63.100 -1.097 0.000 0.799 433 P CB -0.026 31.349 31.700 -0.542 0.000 0.721 434 I N 3.929 124.345 120.570 -0.256 0.000 2.821 434 I HA -0.087 4.083 4.170 0.000 0.000 0.294 434 I C 1.391 177.471 176.117 -0.061 0.000 1.210 434 I CA 0.038 61.275 61.300 -0.105 0.000 1.430 434 I CB 0.129 38.108 38.000 -0.035 0.000 1.356 434 I HN 0.191 nan 8.210 nan 0.000 0.563 435 V N 2.987 122.872 119.914 -0.049 0.000 2.743 435 V HA 0.767 4.887 4.120 0.000 0.000 0.301 435 V C 0.990 177.078 176.094 -0.010 0.000 1.057 435 V CA -0.110 62.174 62.300 -0.026 0.000 1.006 435 V CB 0.995 32.803 31.823 -0.026 0.000 1.024 435 V HN 1.109 nan 8.190 nan 0.000 0.473 436 G N 1.573 110.372 108.800 -0.002 0.000 2.225 436 G HA2 0.201 4.161 3.960 0.000 0.000 0.264 436 G HA3 0.201 4.161 3.960 0.000 0.000 0.264 436 G C 0.108 175.015 174.900 0.010 0.000 1.060 436 G CA 0.366 45.469 45.100 0.004 0.000 0.833 436 G HN 2.174 nan 8.290 nan 0.000 0.498 437 A N -0.628 122.200 122.820 0.014 0.000 2.414 437 A HA 0.802 5.122 4.320 0.000 0.000 0.306 437 A C 0.038 177.643 177.584 0.035 0.000 1.054 437 A CA -0.025 52.030 52.037 0.030 0.000 0.724 437 A CB 1.240 20.259 19.000 0.032 0.000 1.267 437 A HN 0.661 nan 8.150 nan 0.000 0.418 438 E N 1.929 122.166 120.200 0.061 0.000 1.802 438 E HA 0.191 4.541 4.350 0.000 0.000 0.265 438 E C 0.109 176.746 176.600 0.062 0.000 1.168 438 E CA -0.082 56.339 56.400 0.036 0.000 1.033 438 E CB 0.002 29.735 29.700 0.055 0.000 1.095 438 E HN 0.616 nan 8.360 nan 0.000 0.436 439 T N 3.711 118.257 114.554 -0.013 0.000 2.831 439 T HA 0.007 4.357 4.350 0.000 0.000 0.291 439 T C -0.364 174.205 174.700 -0.219 0.000 0.981 439 T CA -0.035 62.023 62.100 -0.069 0.000 1.174 439 T CB -0.092 68.686 68.868 -0.151 0.000 0.929 439 T HN 0.224 nan 8.240 nan 0.000 0.532 440 F N 4.441 124.183 119.950 -0.348 0.000 2.399 440 F HA 0.469 4.996 4.527 0.000 0.000 0.334 440 F C -0.158 175.368 175.800 -0.457 0.000 1.097 440 F CA -0.849 56.939 58.000 -0.354 0.000 1.076 440 F CB 1.057 39.823 39.000 -0.389 0.000 1.162 440 F HN 0.526 nan 8.300 nan 0.000 0.495 441 Y N 2.124 122.513 120.300 0.149 0.000 2.335 441 Y HA 0.509 5.059 4.550 0.000 0.000 0.339 441 Y C -0.134 175.872 175.900 0.177 0.000 0.987 441 Y CA -0.838 57.337 58.100 0.124 0.000 1.140 441 Y CB 1.198 39.703 38.460 0.075 0.000 1.173 441 Y HN 0.172 nan 8.280 nan 0.000 0.486 442 V N 3.763 123.834 119.914 0.262 0.000 2.532 442 V HA 0.520 4.640 4.120 0.000 0.000 0.295 442 V C -0.648 175.558 176.094 0.187 0.000 1.041 442 V CA -0.376 62.055 62.300 0.219 0.000 0.926 442 V CB 1.750 33.664 31.823 0.151 0.000 0.992 442 V HN 0.729 nan 8.190 nan 0.000 0.457 443 D N 1.355 121.854 120.400 0.166 0.000 2.687 443 D HA 0.537 5.177 4.640 0.000 0.000 0.213 443 D C -0.486 175.874 176.300 0.101 0.000 1.218 443 D CA 0.089 54.160 54.000 0.118 0.000 0.768 443 D CB 1.748 42.604 40.800 0.093 0.000 1.855 443 D HN 0.840 nan 8.370 nan 0.000 0.508 444 G N 0.262 109.109 108.800 0.078 0.000 2.574 444 G HA2 0.978 4.938 3.960 0.000 0.000 0.299 444 G HA3 0.978 4.938 3.960 0.000 0.000 0.299 444 G C -1.359 173.562 174.900 0.035 0.000 1.298 444 G CA -0.166 44.970 45.100 0.060 0.000 0.952 444 G HN 0.684 nan 8.290 nan 0.000 0.477 445 A N -0.917 121.916 122.820 0.021 0.000 2.586 445 A HA 1.077 5.397 4.320 0.000 0.000 0.290 445 A C -0.720 176.866 177.584 0.002 0.000 1.086 445 A CA 0.022 52.062 52.037 0.005 0.000 0.665 445 A CB 1.305 20.303 19.000 -0.004 0.000 1.279 445 A HN 2.571 nan 8.150 nan 0.000 0.423 446 A N 0.252 123.069 122.820 -0.005 0.000 2.597 446 A HA 0.694 5.014 4.320 0.000 0.000 0.292 446 A C -1.067 176.512 177.584 -0.009 0.000 1.057 446 A CA -0.287 51.748 52.037 -0.004 0.000 0.674 446 A CB 0.863 19.862 19.000 -0.001 0.000 1.278 446 A HN 1.467 nan 8.150 nan 0.000 0.416 447 N N -0.539 118.157 118.700 -0.007 0.000 2.495 447 N HA 0.602 5.342 4.740 0.000 0.000 0.280 447 N C 1.389 176.895 175.510 -0.007 0.000 1.168 447 N CA 0.512 53.557 53.050 -0.008 0.000 0.978 447 N CB 1.372 39.855 38.487 -0.007 0.000 1.191 447 N HN 0.883 nan 8.380 nan 0.000 0.497 448 R N 1.332 121.828 120.500 -0.007 0.000 2.061 448 R HA -0.022 4.318 4.340 0.000 0.000 0.230 448 R C 1.854 178.152 176.300 -0.003 0.000 1.140 448 R CA 2.044 58.140 56.100 -0.006 0.000 0.940 448 R CB -1.708 28.589 30.300 -0.006 0.000 0.839 448 R HN 0.846 nan 8.270 nan 0.000 0.429 449 E N 0.369 120.567 120.200 -0.003 0.000 2.013 449 E HA -0.023 4.327 4.350 0.000 0.000 0.194 449 E C 0.450 177.049 176.600 -0.001 0.000 0.973 449 E CA 0.916 57.315 56.400 -0.001 0.000 0.842 449 E CB -0.160 29.539 29.700 -0.002 0.000 0.801 449 E HN 0.634 nan 8.360 nan 0.000 0.476 450 T N 0.043 114.595 114.554 -0.002 0.000 2.866 450 T HA 0.064 4.415 4.350 0.000 0.000 0.293 450 T C 0.473 175.173 174.700 -0.001 0.000 1.005 450 T CA 0.410 62.508 62.100 -0.002 0.000 1.162 450 T CB 0.985 69.851 68.868 -0.003 0.000 0.968 450 T HN 0.200 nan 8.240 nan 0.000 0.530 451 K N 3.717 124.118 120.400 0.001 0.000 2.836 451 K HA 0.271 4.591 4.320 0.000 0.000 0.236 451 K C 0.800 177.401 176.600 0.003 0.000 1.015 451 K CA 0.106 56.394 56.287 0.003 0.000 1.194 451 K CB -0.839 31.664 32.500 0.005 0.000 1.002 451 K HN 0.816 nan 8.250 nan 0.000 0.479 452 L N 1.913 123.136 121.223 0.000 0.000 2.401 452 L HA 0.266 4.606 4.340 0.000 0.000 0.283 452 L C 0.933 177.803 176.870 0.000 0.000 1.151 452 L CA -0.598 54.242 54.840 -0.000 0.000 0.942 452 L CB 0.307 42.364 42.059 -0.003 0.000 1.283 452 L HN 0.449 nan 8.230 nan 0.000 0.442 453 G N 3.195 111.997 108.800 0.004 0.000 2.462 453 G HA2 0.555 4.515 3.960 0.000 0.000 0.319 453 G HA3 0.555 4.515 3.960 0.000 0.000 0.319 453 G C -0.556 174.349 174.900 0.009 0.000 1.171 453 G CA -0.524 44.581 45.100 0.008 0.000 0.920 453 G HN 0.489 nan 8.290 nan 0.000 0.499 454 K N 0.471 120.878 120.400 0.013 0.000 2.668 454 K HA 0.415 4.735 4.320 0.000 0.000 0.246 454 K C -0.419 176.197 176.600 0.026 0.000 0.976 454 K CA -0.657 55.637 56.287 0.012 0.000 0.902 454 K CB 2.119 34.621 32.500 0.003 0.000 1.172 454 K HN 0.523 nan 8.250 nan 0.000 0.452 455 A N 3.071 125.908 122.820 0.028 0.000 3.030 455 A HA 0.258 4.578 4.320 0.000 0.000 0.273 455 A C 0.835 178.449 177.584 0.049 0.000 1.841 455 A CA 0.052 52.119 52.037 0.049 0.000 1.479 455 A CB -0.759 18.268 19.000 0.045 0.000 1.048 455 A HN 0.822 nan 8.150 nan 0.000 0.612 456 G N 0.344 109.186 108.800 0.070 0.000 2.418 456 G HA2 0.412 4.372 3.960 0.000 0.000 0.276 456 G HA3 0.412 4.372 3.960 0.000 0.000 0.276 456 G C -0.099 174.919 174.900 0.197 0.000 1.442 456 G CA 0.554 45.704 45.100 0.082 0.000 1.066 456 G HN 2.062 nan 8.290 nan 0.000 0.553 457 Y N -4.284 116.086 120.300 0.118 0.000 2.665 457 Y HA 0.240 4.790 4.550 0.000 0.000 0.367 457 Y C -1.752 174.229 175.900 0.135 0.000 1.329 457 Y CA -1.383 56.822 58.100 0.175 0.000 1.944 457 Y CB -0.464 38.156 38.460 0.267 0.000 1.408 457 Y HN 1.048 nan 8.280 nan 0.000 0.605 458 V N 5.535 125.778 119.914 0.548 0.000 2.697 458 V HA 0.586 4.706 4.120 0.000 0.000 0.296 458 V C 0.128 176.325 176.094 0.172 0.000 1.140 458 V CA -0.192 62.300 62.300 0.320 0.000 0.921 458 V CB 1.786 33.730 31.823 0.203 0.000 1.036 458 V HN 1.361 nan 8.190 nan 0.000 0.438 459 T N 1.108 115.603 114.554 -0.098 0.000 2.824 459 T HA 0.219 4.569 4.350 0.000 0.000 0.277 459 T C 1.252 175.920 174.700 -0.054 0.000 0.975 459 T CA 0.111 62.037 62.100 -0.290 0.000 0.966 459 T CB 0.901 69.361 68.868 -0.680 0.000 1.054 459 T HN 0.700 nan 8.240 nan 0.000 0.533 460 N N 0.234 118.899 118.700 -0.057 0.000 2.409 460 N HA -0.082 4.658 4.740 0.000 0.000 0.179 460 N C 0.611 176.110 175.510 -0.017 0.000 1.032 460 N CA 0.458 53.518 53.050 0.016 0.000 0.898 460 N CB -0.273 38.229 38.487 0.026 0.000 0.971 460 N HN 0.650 nan 8.380 nan 0.000 0.441 461 K N 0.932 121.296 120.400 -0.060 0.000 3.226 461 K HA 0.191 4.511 4.320 0.000 0.000 0.268 461 K C 0.612 177.193 176.600 -0.032 0.000 1.217 461 K CA 0.134 56.396 56.287 -0.043 0.000 1.242 461 K CB -0.398 32.071 32.500 -0.053 0.000 1.389 461 K HN 0.276 nan 8.250 nan 0.000 0.406 462 G N 1.578 110.368 108.800 -0.018 0.000 2.291 462 G HA2 -0.359 3.601 3.960 0.000 0.000 0.287 462 G HA3 -0.359 3.601 3.960 0.000 0.000 0.287 462 G C 0.433 175.327 174.900 -0.010 0.000 0.998 462 G CA 0.545 45.640 45.100 -0.009 0.000 0.728 462 G HN 0.394 nan 8.290 nan 0.000 0.519 463 R N 0.132 120.618 120.500 -0.023 0.000 2.840 463 R HA 0.480 4.820 4.340 0.000 0.000 0.282 463 R C 0.861 177.171 176.300 0.018 0.000 1.133 463 R CA 0.887 56.985 56.100 -0.003 0.000 1.208 463 R CB 0.120 30.409 30.300 -0.019 0.000 1.160 463 R HN 0.762 nan 8.270 nan 0.000 0.576 464 Q N -0.397 119.413 119.800 0.017 0.000 3.012 464 Q HA 0.251 4.591 4.340 0.000 0.000 0.285 464 Q C -1.689 174.182 176.000 -0.216 0.000 0.922 464 Q CA -0.940 54.822 55.803 -0.069 0.000 0.813 464 Q CB 1.262 29.979 28.738 -0.036 0.000 1.779 464 Q HN 0.613 nan 8.270 nan 0.000 0.500 465 K N -0.043 120.138 120.400 -0.365 0.000 2.772 465 K HA 0.655 4.975 4.320 0.000 0.000 0.292 465 K C -2.193 174.221 176.600 -0.310 0.000 1.049 465 K CA -0.514 55.562 56.287 -0.351 0.000 0.846 465 K CB 2.205 34.416 32.500 -0.482 0.000 1.514 465 K HN 0.519 nan 8.250 nan 0.000 0.373 466 V N 1.497 121.296 119.914 -0.193 0.000 2.882 466 V HA 0.384 4.504 4.120 0.000 0.000 0.295 466 V C -1.500 174.545 176.094 -0.083 0.000 1.273 466 V CA -0.786 61.445 62.300 -0.116 0.000 0.949 466 V CB 2.200 33.979 31.823 -0.073 0.000 1.071 466 V HN 0.541 nan 8.190 nan 0.000 0.432 467 V N 6.246 126.127 119.914 -0.054 0.000 2.531 467 V HA 0.572 4.692 4.120 0.000 0.000 0.301 467 V C -2.316 173.768 176.094 -0.016 0.000 1.034 467 V CA -1.650 60.629 62.300 -0.035 0.000 0.865 467 V CB 2.194 33.998 31.823 -0.031 0.000 0.995 467 V HN 0.737 nan 8.190 nan 0.000 0.424 468 P HA 0.571 nan 4.420 nan 0.000 0.279 468 P C -1.371 175.931 177.300 0.003 0.000 1.252 468 P CA -0.414 62.683 63.100 -0.005 0.000 0.811 468 P CB 1.695 33.390 31.700 -0.009 0.000 1.035 469 L N 0.702 121.929 121.223 0.008 0.000 2.455 469 L HA 0.577 4.917 4.340 0.000 0.000 0.264 469 L C 0.082 176.959 176.870 0.011 0.000 0.968 469 L CA -0.541 54.307 54.840 0.014 0.000 0.827 469 L CB 2.411 44.484 42.059 0.024 0.000 1.317 469 L HN 0.412 nan 8.230 nan 0.000 0.407 470 T N -0.824 113.736 114.554 0.011 0.000 2.881 470 T HA 0.575 4.925 4.350 0.000 0.000 0.290 470 T C -0.159 174.548 174.700 0.012 0.000 1.000 470 T CA -0.500 61.605 62.100 0.009 0.000 0.978 470 T CB 1.464 70.336 68.868 0.006 0.000 0.997 470 T HN 0.769 nan 8.240 nan 0.000 0.443 471 N N 0.462 119.169 118.700 0.011 0.000 3.327 471 N HA -0.131 4.609 4.740 0.000 0.000 0.247 471 N C -0.069 175.451 175.510 0.016 0.000 1.142 471 N CA 1.009 54.067 53.050 0.013 0.000 0.762 471 N CB -1.211 37.284 38.487 0.013 0.000 1.143 471 N HN 1.153 nan 8.380 nan 0.000 0.553 472 T N -4.585 109.978 114.554 0.015 0.000 2.644 472 T HA 0.832 5.182 4.350 0.000 0.000 0.253 472 T C 0.004 174.710 174.700 0.009 0.000 0.910 472 T CA -0.149 61.961 62.100 0.018 0.000 1.066 472 T CB 2.244 71.126 68.868 0.023 0.000 1.484 472 T HN -0.032 nan 8.240 nan 0.000 0.560 473 T N -0.574 113.983 114.554 0.005 0.000 2.889 473 T HA 0.559 4.909 4.350 0.000 0.000 0.315 473 T C 1.451 176.138 174.700 -0.022 0.000 1.291 473 T CA -0.179 61.915 62.100 -0.011 0.000 1.028 473 T CB 1.047 69.905 68.868 -0.016 0.000 1.235 473 T HN 0.839 nan 8.240 nan 0.000 0.491 474 N N 1.276 119.954 118.700 -0.037 0.000 2.091 474 N HA -0.204 4.536 4.740 0.000 0.000 0.193 474 N C 1.602 177.064 175.510 -0.080 0.000 1.021 474 N CA 2.181 55.203 53.050 -0.045 0.000 0.862 474 N CB -0.841 37.617 38.487 -0.049 0.000 1.018 474 N HN 0.803 nan 8.380 nan 0.000 0.429 475 Q N -0.044 119.658 119.800 -0.164 0.000 2.452 475 Q HA -0.044 4.296 4.340 0.000 0.000 0.214 475 Q C 0.503 176.480 176.000 -0.038 0.000 0.966 475 Q CA 0.979 56.590 55.803 -0.319 0.000 0.964 475 Q CB -0.068 28.231 28.738 -0.731 0.000 0.992 475 Q HN 0.746 nan 8.270 nan 0.000 0.517 476 K N -0.095 120.315 120.400 0.017 0.000 2.424 476 K HA 0.052 4.372 4.320 0.000 0.000 0.200 476 K C 2.068 178.712 176.600 0.072 0.000 1.279 476 K CA 0.954 57.284 56.287 0.072 0.000 0.918 476 K CB 0.113 32.644 32.500 0.053 0.000 1.287 476 K HN 0.266 nan 8.250 nan 0.000 0.502 477 T N 0.508 115.091 114.554 0.048 0.000 2.915 477 T HA -0.058 4.292 4.350 0.000 0.000 0.269 477 T C 1.583 176.329 174.700 0.077 0.000 1.071 477 T CA 0.995 63.129 62.100 0.056 0.000 1.132 477 T CB -0.083 68.806 68.868 0.036 0.000 0.878 477 T HN 0.032 nan 8.240 nan 0.000 0.479 478 E N 0.685 120.930 120.200 0.075 0.000 2.418 478 E HA 0.129 4.479 4.350 0.000 0.000 0.197 478 E C 1.999 178.678 176.600 0.131 0.000 1.026 478 E CA 0.417 56.878 56.400 0.102 0.000 0.862 478 E CB -0.039 29.717 29.700 0.093 0.000 0.799 478 E HN 0.561 nan 8.360 nan 0.000 0.518 479 L N 0.201 121.506 121.223 0.136 0.000 2.221 479 L HA -0.035 4.305 4.340 0.000 0.000 0.202 479 L C 2.485 179.436 176.870 0.135 0.000 1.074 479 L CA 0.370 55.288 54.840 0.130 0.000 0.795 479 L CB -0.103 42.032 42.059 0.126 0.000 0.960 479 L HN -0.049 nan 8.230 nan 0.000 0.458 480 Q N 0.238 120.123 119.800 0.143 0.000 2.170 480 Q HA -0.115 4.225 4.340 0.000 0.000 0.203 480 Q C 2.201 178.305 176.000 0.174 0.000 0.976 480 Q CA 1.447 57.362 55.803 0.187 0.000 0.858 480 Q CB -0.160 28.665 28.738 0.144 0.000 0.907 480 Q HN 0.481 nan 8.270 nan 0.000 0.433 481 A N 0.191 123.098 122.820 0.146 0.000 2.259 481 A HA -0.072 4.248 4.320 0.000 0.000 0.212 481 A C 1.737 179.415 177.584 0.156 0.000 1.178 481 A CA 0.754 52.885 52.037 0.157 0.000 0.734 481 A CB -0.291 18.793 19.000 0.140 0.000 0.774 481 A HN 0.302 nan 8.150 nan 0.000 0.481 482 I N -3.402 117.249 120.570 0.136 0.000 3.971 482 I HA 0.023 4.193 4.170 0.000 0.000 0.303 482 I C 2.110 178.289 176.117 0.103 0.000 1.233 482 I CA 0.171 61.520 61.300 0.082 0.000 1.346 482 I CB -0.373 37.665 38.000 0.063 0.000 1.273 482 I HN 0.333 nan 8.210 nan 0.000 0.448 483 Y N 2.510 122.802 120.300 -0.012 0.000 2.128 483 Y HA -0.245 4.305 4.550 0.000 0.000 0.284 483 Y C 2.413 178.294 175.900 -0.032 0.000 1.154 483 Y CA 1.515 59.597 58.100 -0.030 0.000 1.149 483 Y CB -0.493 37.963 38.460 -0.007 0.000 0.976 483 Y HN -0.022 nan 8.280 nan 0.000 0.505 484 L N 0.099 121.353 121.223 0.051 0.000 1.943 484 L HA -0.253 4.087 4.340 0.000 0.000 0.215 484 L C 2.746 179.590 176.870 -0.043 0.000 1.074 484 L CA 2.318 57.169 54.840 0.019 0.000 0.759 484 L CB -1.898 40.295 42.059 0.223 0.000 0.888 484 L HN 0.322 nan 8.230 nan 0.000 0.433 485 A N -0.571 122.160 122.820 -0.147 0.000 1.985 485 A HA -0.274 4.046 4.320 0.000 0.000 0.223 485 A C 2.330 179.394 177.584 -0.867 0.000 1.189 485 A CA 2.319 53.832 52.037 -0.872 0.000 0.658 485 A CB -0.779 17.817 19.000 -0.673 0.000 0.820 485 A HN 0.504 nan 8.150 nan 0.000 0.464 486 L N -1.939 119.054 121.223 -0.382 0.000 2.102 486 L HA -0.122 4.218 4.340 0.000 0.000 0.202 486 L C 2.786 179.542 176.870 -0.190 0.000 1.076 486 L CA 1.452 56.140 54.840 -0.255 0.000 0.761 486 L CB -0.487 41.529 42.059 -0.073 0.000 0.921 486 L HN 0.524 nan 8.230 nan 0.000 0.444 487 Q N -0.019 119.692 119.800 -0.148 0.000 2.291 487 Q HA -0.209 4.131 4.340 0.000 0.000 0.206 487 Q C 0.233 176.172 176.000 -0.101 0.000 0.976 487 Q CA 1.293 57.003 55.803 -0.156 0.000 0.875 487 Q CB 0.203 28.727 28.738 -0.357 0.000 0.927 487 Q HN 0.419 nan 8.270 nan 0.000 0.450 488 D N -0.318 120.024 120.400 -0.097 0.000 2.463 488 D HA 0.190 4.830 4.640 0.000 0.000 0.224 488 D C -0.795 175.525 176.300 0.032 0.000 1.174 488 D CA 0.078 54.104 54.000 0.043 0.000 0.829 488 D CB 0.871 41.855 40.800 0.308 0.000 0.993 488 D HN -0.053 nan 8.370 nan 0.000 0.497 489 S N -1.181 114.462 115.700 -0.095 0.000 2.720 489 S HA 0.844 5.314 4.470 0.000 0.000 0.287 489 S C -0.691 173.885 174.600 -0.040 0.000 1.168 489 S CA -0.608 57.561 58.200 -0.052 0.000 0.832 489 S CB 1.716 64.814 63.200 -0.171 0.000 1.166 489 S HN 0.117 nan 8.310 nan 0.000 0.493 490 G N 0.292 109.087 108.800 -0.008 0.000 2.690 490 G HA2 0.594 4.554 3.960 0.000 0.000 0.293 490 G HA3 0.594 4.554 3.960 0.000 0.000 0.293 490 G C -0.211 174.690 174.900 0.002 0.000 1.399 490 G CA -0.259 44.837 45.100 -0.005 0.000 0.890 490 G HN 0.999 nan 8.290 nan 0.000 0.485 491 L N -1.246 119.978 121.223 0.001 0.000 4.244 491 L HA -0.352 3.988 4.340 0.000 0.000 0.053 491 L C 2.074 178.949 176.870 0.009 0.000 3.875 491 L CA 2.042 56.887 54.840 0.008 0.000 1.095 491 L CB -1.456 40.611 42.059 0.013 0.000 3.276 491 L HN 0.642 nan 8.230 nan 0.000 0.889 492 E N -0.755 119.455 120.200 0.017 0.000 4.160 492 E HA 0.363 4.713 4.350 0.000 0.000 0.567 492 E C 0.053 176.665 176.600 0.019 0.000 0.435 492 E CA 0.846 57.261 56.400 0.024 0.000 3.714 492 E CB -0.031 29.687 29.700 0.029 0.000 2.058 492 E HN 0.352 nan 8.360 nan 0.000 0.333 493 V N 0.570 120.506 119.914 0.037 0.000 3.124 493 V HA -0.133 3.987 4.120 0.000 0.000 0.452 493 V C -1.927 174.202 176.094 0.059 0.000 0.682 493 V CA -0.117 62.200 62.300 0.028 0.000 1.988 493 V CB -0.320 31.448 31.823 -0.092 0.000 2.464 493 V HN 0.600 nan 8.190 nan 0.000 0.493 494 N N 5.756 124.514 118.700 0.098 0.000 2.372 494 N HA 0.812 5.552 4.740 0.000 0.000 0.285 494 N C -0.787 174.758 175.510 0.059 0.000 1.008 494 N CA -0.392 52.750 53.050 0.153 0.000 0.880 494 N CB 1.903 40.517 38.487 0.211 0.000 1.239 494 N HN 0.572 nan 8.380 nan 0.000 0.484 495 I N 1.185 121.756 120.570 0.003 0.000 2.441 495 I HA 0.398 4.568 4.170 0.000 0.000 0.295 495 I C -0.410 175.665 176.117 -0.070 0.000 0.994 495 I CA -0.804 60.467 61.300 -0.048 0.000 1.144 495 I CB 1.885 39.851 38.000 -0.057 0.000 1.314 495 I HN 0.115 nan 8.210 nan 0.000 0.445 496 V N 4.669 124.539 119.914 -0.073 0.000 2.444 496 V HA 0.624 4.744 4.120 0.000 0.000 0.294 496 V C -0.069 176.066 176.094 0.068 0.000 1.022 496 V CA -0.397 61.895 62.300 -0.012 0.000 0.850 496 V CB 1.633 33.471 31.823 0.025 0.000 0.992 496 V HN 0.829 nan 8.190 nan 0.000 0.426 497 T N 1.909 116.501 114.554 0.063 0.000 2.907 497 T HA 0.537 4.887 4.350 0.000 0.000 0.290 497 T C -1.372 173.349 174.700 0.034 0.000 1.066 497 T CA -0.586 61.574 62.100 0.100 0.000 1.012 497 T CB 1.793 70.749 68.868 0.146 0.000 1.184 497 T HN 0.831 nan 8.240 nan 0.000 0.522 498 D N 1.124 121.577 120.400 0.088 0.000 2.634 498 D HA 0.455 5.096 4.640 0.000 0.000 0.318 498 D C -0.793 175.695 176.300 0.314 0.000 1.226 498 D CA -0.509 53.534 54.000 0.071 0.000 0.899 498 D CB 0.210 41.032 40.800 0.035 0.000 1.025 498 D HN 0.305 nan 8.370 nan 0.000 0.501 499 S N 0.551 116.576 115.700 0.543 0.000 2.584 499 S HA 0.193 4.663 4.470 0.000 0.000 0.280 499 S C 0.005 174.796 174.600 0.317 0.000 1.162 499 S CA -0.463 57.963 58.200 0.376 0.000 0.951 499 S CB 1.382 64.734 63.200 0.253 0.000 1.108 499 S HN 0.074 nan 8.310 nan 0.000 0.464 500 Q N 2.765 122.590 119.800 0.041 0.000 2.204 500 Q HA 0.106 4.446 4.340 0.000 0.000 0.198 500 Q C 1.542 177.536 176.000 -0.010 0.000 0.946 500 Q CA 1.102 56.765 55.803 -0.233 0.000 0.859 500 Q CB -0.398 28.071 28.738 -0.449 0.000 0.946 500 Q HN 0.841 nan 8.270 nan 0.000 0.474 501 Y N 1.793 122.046 120.300 -0.078 0.000 2.070 501 Y HA -0.256 4.294 4.550 0.000 0.000 0.280 501 Y C 2.251 178.143 175.900 -0.014 0.000 1.148 501 Y CA 1.693 59.764 58.100 -0.049 0.000 1.125 501 Y CB -0.919 37.526 38.460 -0.025 0.000 0.975 501 Y HN 0.061 nan 8.280 nan 0.000 0.492 502 A N 0.955 124.078 122.820 0.505 0.000 1.927 502 A HA -0.247 4.073 4.320 0.000 0.000 0.220 502 A C 2.152 179.788 177.584 0.086 0.000 1.185 502 A CA 2.802 55.014 52.037 0.290 0.000 0.639 502 A CB -1.451 17.723 19.000 0.289 0.000 0.820 502 A HN 0.724 nan 8.150 nan 0.000 0.451 503 L N -1.391 119.886 121.223 0.090 0.000 2.072 503 L HA 0.219 4.560 4.340 0.000 0.000 0.205 503 L C 2.336 179.216 176.870 0.016 0.000 1.079 503 L CA 1.961 56.833 54.840 0.053 0.000 0.752 503 L CB -1.951 40.147 42.059 0.063 0.000 0.906 503 L HN 0.163 nan 8.230 nan 0.000 0.436 504 G N 0.572 109.352 108.800 -0.034 0.000 2.550 504 G HA2 -0.268 3.692 3.960 0.000 0.000 0.222 504 G HA3 -0.268 3.692 3.960 0.000 0.000 0.222 504 G C 1.610 176.489 174.900 -0.035 0.000 1.113 504 G CA 1.603 46.661 45.100 -0.070 0.000 0.748 504 G HN 0.480 nan 8.290 nan 0.000 0.585 505 I N 0.863 121.381 120.570 -0.086 0.000 2.094 505 I HA -0.130 4.040 4.170 0.000 0.000 0.234 505 I C 2.713 178.867 176.117 0.062 0.000 1.063 505 I CA 0.783 62.049 61.300 -0.057 0.000 1.328 505 I CB -0.321 37.594 38.000 -0.141 0.000 1.058 505 I HN 0.071 nan 8.210 nan 0.000 0.400 506 I N 0.877 121.484 120.570 0.062 0.000 2.113 506 I HA -0.346 3.824 4.170 0.000 0.000 0.242 506 I C 2.525 178.769 176.117 0.212 0.000 1.064 506 I CA 1.825 63.200 61.300 0.125 0.000 1.320 506 I CB -1.959 36.085 38.000 0.074 0.000 1.028 506 I HN 0.435 nan 8.210 nan 0.000 0.406 507 Q N 0.794 120.693 119.800 0.165 0.000 2.181 507 Q HA -0.121 4.219 4.340 0.000 0.000 0.205 507 Q C 2.295 178.469 176.000 0.289 0.000 0.980 507 Q CA 1.843 57.766 55.803 0.200 0.000 0.862 507 Q CB -0.299 28.529 28.738 0.149 0.000 0.905 507 Q HN 0.646 nan 8.270 nan 0.000 0.429 508 A N 0.644 123.641 122.820 0.294 0.000 2.168 508 A HA -0.115 4.205 4.320 0.000 0.000 0.215 508 A C 0.418 178.147 177.584 0.242 0.000 1.152 508 A CA 0.203 52.484 52.037 0.407 0.000 0.716 508 A CB -0.116 19.103 19.000 0.365 0.000 0.794 508 A HN 0.418 nan 8.150 nan 0.000 0.465 509 Q N -1.130 118.804 119.800 0.223 0.000 2.447 509 Q HA -0.150 4.190 4.340 0.000 0.000 0.348 509 Q C -2.050 174.034 176.000 0.140 0.000 1.421 509 Q CA 0.288 56.193 55.803 0.169 0.000 0.978 509 Q CB -1.495 27.048 28.738 -0.326 0.000 1.191 509 Q HN 0.585 nan 8.270 nan 0.000 0.371 510 P HA 0.271 nan 4.420 nan 0.000 0.327 510 P C 0.160 177.637 177.300 0.295 0.000 1.342 510 P CA 1.122 64.382 63.100 0.267 0.000 0.761 510 P CB 0.420 32.313 31.700 0.321 0.000 1.675 511 D N -5.311 115.209 120.400 0.200 0.000 2.890 511 D HA 0.486 5.126 4.640 0.000 0.000 0.306 511 D C -1.010 175.053 176.300 -0.394 0.000 1.280 511 D CA 0.111 54.147 54.000 0.061 0.000 0.742 511 D CB -0.451 40.519 40.800 0.283 0.000 1.266 511 D HN 0.504 nan 8.370 nan 0.000 0.433 512 K N -0.903 119.301 120.400 -0.326 0.000 7.156 512 K HA 0.347 4.668 4.320 0.000 0.000 0.723 512 K C 0.449 176.700 176.600 -0.581 0.000 2.501 512 K CA 1.047 57.079 56.287 -0.426 0.000 1.807 512 K CB -1.908 30.391 32.500 -0.335 0.000 1.947 512 K HN 2.210 nan 8.250 nan 0.000 0.300 513 S N 1.837 117.394 115.700 -0.238 0.000 2.560 513 S HA 0.441 4.911 4.470 0.000 0.000 0.323 513 S C 1.259 175.887 174.600 0.046 0.000 1.191 513 S CA 1.370 59.519 58.200 -0.086 0.000 1.231 513 S CB -0.318 62.846 63.200 -0.061 0.000 1.224 513 S HN 1.748 nan 8.310 nan 0.000 0.545 514 E N 2.277 122.632 120.200 0.258 0.000 2.572 514 E HA 0.328 4.678 4.350 0.000 0.000 0.220 514 E C 0.463 177.137 176.600 0.123 0.000 0.945 514 E CA 0.249 56.799 56.400 0.250 0.000 1.070 514 E CB 0.587 30.526 29.700 0.397 0.000 1.090 514 E HN 0.643 nan 8.360 nan 0.000 0.506 515 S N -0.975 114.794 115.700 0.114 0.000 2.357 515 S HA 0.428 4.898 4.470 0.000 0.000 0.209 515 S C 0.957 175.576 174.600 0.031 0.000 0.981 515 S CA 1.029 59.258 58.200 0.048 0.000 1.106 515 S CB 0.207 63.416 63.200 0.015 0.000 1.266 515 S HN 0.654 nan 8.310 nan 0.000 0.410 516 E N 3.189 123.395 120.200 0.009 0.000 2.279 516 E HA -0.204 4.146 4.350 0.000 0.000 0.205 516 E C 1.329 177.880 176.600 -0.082 0.000 1.028 516 E CA 2.210 58.593 56.400 -0.029 0.000 0.830 516 E CB -0.967 28.724 29.700 -0.015 0.000 0.736 516 E HN 0.727 nan 8.360 nan 0.000 0.478 517 L N -0.212 120.973 121.223 -0.063 0.000 1.988 517 L HA -0.077 4.264 4.340 0.000 0.000 0.207 517 L C 2.785 179.536 176.870 -0.197 0.000 1.071 517 L CA 1.476 56.242 54.840 -0.122 0.000 0.744 517 L CB -0.767 41.278 42.059 -0.024 0.000 0.893 517 L HN 0.265 nan 8.230 nan 0.000 0.433 518 V N 0.431 120.289 119.914 -0.093 0.000 2.469 518 V HA -0.285 3.835 4.120 0.000 0.000 0.251 518 V C 2.420 178.461 176.094 -0.089 0.000 1.064 518 V CA 1.928 64.183 62.300 -0.074 0.000 1.066 518 V CB -0.941 30.873 31.823 -0.015 0.000 0.667 518 V HN 0.544 nan 8.190 nan 0.000 0.461 519 N N 0.364 119.019 118.700 -0.075 0.000 2.166 519 N HA -0.201 4.539 4.740 0.000 0.000 0.186 519 N C 1.908 177.292 175.510 -0.210 0.000 1.019 519 N CA 1.791 54.775 53.050 -0.109 0.000 0.856 519 N CB -0.122 38.312 38.487 -0.088 0.000 0.993 519 N HN 0.603 nan 8.380 nan 0.000 0.426 520 Q N -0.860 118.753 119.800 -0.311 0.000 2.250 520 Q HA 0.183 4.523 4.340 0.000 0.000 0.200 520 Q C 1.497 177.196 176.000 -0.502 0.000 0.941 520 Q CA 0.377 55.922 55.803 -0.429 0.000 0.872 520 Q CB 0.158 28.535 28.738 -0.603 0.000 0.965 520 Q HN 0.261 nan 8.270 nan 0.000 0.480 521 I N 0.368 120.628 120.570 -0.516 0.000 2.953 521 I HA -0.213 3.957 4.170 0.000 0.000 0.271 521 I C 1.462 177.396 176.117 -0.305 0.000 1.286 521 I CA 1.263 62.349 61.300 -0.357 0.000 1.449 521 I CB -0.242 37.619 38.000 -0.232 0.000 1.086 521 I HN 0.243 nan 8.210 nan 0.000 0.483 522 I N -0.817 119.551 120.570 -0.337 0.000 2.499 522 I HA -0.111 4.059 4.170 0.000 0.000 0.243 522 I C 2.341 178.198 176.117 -0.433 0.000 1.085 522 I CA 0.430 61.452 61.300 -0.464 0.000 1.422 522 I CB -0.169 37.634 38.000 -0.327 0.000 1.165 522 I HN -0.007 nan 8.210 nan 0.000 0.440 523 E N 0.840 120.851 120.200 -0.315 0.000 2.130 523 E HA -0.311 4.039 4.350 0.000 0.000 0.196 523 E C 2.064 178.551 176.600 -0.188 0.000 0.998 523 E CA 1.548 57.797 56.400 -0.251 0.000 0.806 523 E CB 0.029 29.610 29.700 -0.198 0.000 0.738 523 E HN 0.275 nan 8.360 nan 0.000 0.459 524 Q N -0.258 119.444 119.800 -0.163 0.000 2.030 524 Q HA -0.153 4.187 4.340 0.000 0.000 0.204 524 Q C 2.101 178.033 176.000 -0.114 0.000 0.986 524 Q CA 1.772 57.522 55.803 -0.090 0.000 0.843 524 Q CB -0.155 28.557 28.738 -0.043 0.000 0.904 524 Q HN 0.316 nan 8.270 nan 0.000 0.420 525 L N -0.055 121.054 121.223 -0.191 0.000 1.971 525 L HA -0.252 4.088 4.340 0.000 0.000 0.215 525 L C 2.255 179.074 176.870 -0.085 0.000 1.072 525 L CA 1.451 56.184 54.840 -0.178 0.000 0.758 525 L CB -0.835 40.973 42.059 -0.419 0.000 0.889 525 L HN 0.303 nan 8.230 nan 0.000 0.433 526 I N 0.188 120.683 120.570 -0.124 0.000 2.358 526 I HA -0.290 3.880 4.170 0.000 0.000 0.257 526 I C 1.038 177.160 176.117 0.008 0.000 1.123 526 I CA 1.483 62.783 61.300 -0.000 0.000 1.393 526 I CB -0.679 37.251 38.000 -0.118 0.000 1.073 526 I HN 0.425 nan 8.210 nan 0.000 0.437 527 K N 1.487 121.870 120.400 -0.027 0.000 2.827 527 K HA 0.479 4.799 4.320 0.000 0.000 0.186 527 K C -0.387 176.205 176.600 -0.014 0.000 1.093 527 K CA -0.662 55.617 56.287 -0.014 0.000 0.993 527 K CB 0.960 33.444 32.500 -0.027 0.000 1.199 527 K HN -0.019 nan 8.250 nan 0.000 0.598 528 K N 2.649 123.050 120.400 0.002 0.000 3.072 528 K HA -0.007 4.313 4.320 0.000 0.000 0.216 528 K C -1.035 175.574 176.600 0.016 0.000 1.253 528 K CA -0.174 56.112 56.287 -0.001 0.000 0.891 528 K CB 0.867 33.355 32.500 -0.019 0.000 1.224 528 K HN 0.630 nan 8.250 nan 0.000 0.570 529 E N 5.325 125.537 120.200 0.020 0.000 3.622 529 E HA -0.205 4.145 4.350 0.000 0.000 0.240 529 E C -1.201 175.418 176.600 0.031 0.000 0.889 529 E CA 1.135 57.551 56.400 0.027 0.000 0.938 529 E CB -0.075 29.637 29.700 0.021 0.000 0.871 529 E HN 0.443 nan 8.360 nan 0.000 0.576 530 K N 0.087 120.513 120.400 0.044 0.000 7.329 530 K HA -0.138 4.182 4.320 0.000 0.000 0.591 530 K C -1.006 175.631 176.600 0.061 0.000 2.583 530 K CA 0.785 57.105 56.287 0.054 0.000 2.016 530 K CB -0.511 32.013 32.500 0.041 0.000 2.225 530 K HN 0.396 nan 8.250 nan 0.000 0.215 531 V N 1.046 121.016 119.914 0.093 0.000 3.226 531 V HA 0.691 4.811 4.120 0.000 0.000 0.304 531 V C -1.580 174.637 176.094 0.206 0.000 1.336 531 V CA -0.877 61.487 62.300 0.105 0.000 1.066 531 V CB 2.073 33.942 31.823 0.076 0.000 1.087 531 V HN 0.870 nan 8.190 nan 0.000 0.451 532 Y N 1.366 121.684 120.300 0.030 0.000 2.221 532 Y HA 0.607 5.157 4.550 0.000 0.000 0.317 532 Y C -1.883 174.044 175.900 0.046 0.000 1.196 532 Y CA -0.576 57.551 58.100 0.044 0.000 1.493 532 Y CB 0.409 38.891 38.460 0.036 0.000 1.268 532 Y HN 0.561 nan 8.280 nan 0.000 0.402 533 L N 4.455 125.522 121.223 -0.260 0.000 2.453 533 L HA 0.883 5.223 4.340 0.000 0.000 0.261 533 L C 0.031 176.565 176.870 -0.560 0.000 1.179 533 L CA 0.382 55.056 54.840 -0.277 0.000 0.813 533 L CB 1.309 43.316 42.059 -0.087 0.000 1.110 533 L HN 0.773 nan 8.230 nan 0.000 0.466 534 A N 1.743 124.355 122.820 -0.347 0.000 2.589 534 A HA 0.517 4.837 4.320 0.000 0.000 0.296 534 A C -2.067 175.542 177.584 0.042 0.000 1.062 534 A CA -0.617 51.268 52.037 -0.253 0.000 0.686 534 A CB 0.507 19.283 19.000 -0.374 0.000 1.282 534 A HN 0.627 nan 8.150 nan 0.000 0.404 535 W N 1.632 122.898 121.300 -0.055 0.000 2.516 535 W HA 0.684 5.344 4.660 0.000 0.000 0.343 535 W C -1.187 175.349 176.519 0.029 0.000 1.094 535 W CA -0.474 56.870 57.345 -0.002 0.000 1.250 535 W CB 1.579 31.040 29.460 0.003 0.000 1.308 535 W HN 0.667 nan 8.180 nan 0.000 0.588 536 V N 6.424 125.663 119.914 -1.125 0.000 2.733 536 V HA 0.355 4.476 4.120 0.000 0.000 0.306 536 V C -2.188 172.778 176.094 -1.881 0.000 1.084 536 V CA -2.533 59.107 62.300 -1.099 0.000 0.905 536 V CB 2.376 33.940 31.823 -0.432 0.000 1.010 536 V HN 0.413 nan 8.190 nan 0.000 0.424 537 P HA -0.023 nan 4.420 nan 0.000 0.257 537 P C -0.143 176.958 177.300 -0.331 0.000 1.162 537 P CA 0.470 63.031 63.100 -0.900 0.000 0.762 537 P CB 0.305 31.785 31.700 -0.368 0.000 0.753 538 A N 4.903 127.759 122.820 0.059 0.000 2.577 538 A HA -0.117 4.203 4.320 0.000 0.000 0.289 538 A C 1.216 178.862 177.584 0.104 0.000 1.337 538 A CA 1.380 53.497 52.037 0.134 0.000 1.022 538 A CB -1.738 17.394 19.000 0.219 0.000 0.960 538 A HN 0.963 nan 8.150 nan 0.000 0.570 539 H N 0.739 119.778 119.070 -0.052 0.000 1.478 539 H HA -0.332 4.224 4.556 0.000 0.000 0.090 539 H C 0.859 176.145 175.328 -0.069 0.000 0.622 539 H CA 1.751 57.768 56.048 -0.051 0.000 1.898 539 H CB -1.288 28.463 29.762 -0.019 0.000 2.253 539 H HN 0.669 nan 8.280 nan 0.000 0.961 540 K N 1.604 121.406 120.400 -0.996 0.000 2.884 540 K HA -0.169 4.151 4.320 0.000 0.000 0.247 540 K C 0.895 177.201 176.600 -0.490 0.000 0.951 540 K CA 2.435 58.270 56.287 -0.753 0.000 0.706 540 K CB -1.930 30.382 32.500 -0.314 0.000 1.240 540 K HN 1.227 nan 8.250 nan 0.000 0.484 541 G N -0.757 107.774 108.800 -0.448 0.000 2.176 541 G HA2 -0.327 3.633 3.960 0.000 0.000 0.252 541 G HA3 -0.327 3.633 3.960 0.000 0.000 0.252 541 G C 0.167 174.994 174.900 -0.121 0.000 1.024 541 G CA -0.000 45.011 45.100 -0.147 0.000 0.755 541 G HN 0.487 nan 8.290 nan 0.000 0.507 542 I N 1.443 121.930 120.570 -0.139 0.000 2.634 542 I HA 0.578 4.748 4.170 0.000 0.000 0.284 542 I C 1.192 177.214 176.117 -0.159 0.000 1.124 542 I CA 0.158 61.375 61.300 -0.140 0.000 1.417 542 I CB 0.815 38.716 38.000 -0.165 0.000 1.396 542 I HN 0.423 nan 8.210 nan 0.000 0.571 543 G N 5.485 114.195 108.800 -0.150 0.000 2.195 543 G HA2 0.384 4.344 3.960 0.000 0.000 0.264 543 G HA3 0.384 4.344 3.960 0.000 0.000 0.264 543 G C 0.862 175.485 174.900 -0.462 0.000 1.148 543 G CA 0.276 45.251 45.100 -0.209 0.000 1.023 543 G HN 1.657 nan 8.290 nan 0.000 0.429 544 G N 2.423 110.793 108.800 -0.717 0.000 2.399 544 G HA2 -0.353 3.608 3.960 0.000 0.000 0.216 544 G HA3 -0.353 3.608 3.960 0.000 0.000 0.216 544 G C 1.410 175.710 174.900 -0.999 0.000 1.096 544 G CA 0.720 44.763 45.100 -1.762 0.000 0.650 544 G HN 0.809 nan 8.290 nan 0.000 0.512 545 N N 1.384 119.799 118.700 -0.476 0.000 2.300 545 N HA -0.064 4.676 4.740 0.000 0.000 0.179 545 N C 2.002 177.471 175.510 -0.067 0.000 1.016 545 N CA 1.723 54.699 53.050 -0.123 0.000 0.876 545 N CB -0.024 38.428 38.487 -0.058 0.000 0.979 545 N HN 0.692 nan 8.380 nan 0.000 0.432 546 E N 0.679 120.826 120.200 -0.088 0.000 2.051 546 E HA -0.229 4.121 4.350 0.000 0.000 0.192 546 E C 1.964 178.542 176.600 -0.036 0.000 0.991 546 E CA 1.188 57.585 56.400 -0.005 0.000 0.799 546 E CB -0.064 29.625 29.700 -0.020 0.000 0.748 546 E HN 0.289 nan 8.360 nan 0.000 0.449 547 Q N 0.589 120.335 119.800 -0.090 0.000 1.985 547 Q HA -0.179 4.161 4.340 0.000 0.000 0.207 547 Q C 2.441 178.429 176.000 -0.020 0.000 0.996 547 Q CA 1.756 57.520 55.803 -0.065 0.000 0.851 547 Q CB -1.064 27.614 28.738 -0.100 0.000 0.921 547 Q HN 0.370 nan 8.270 nan 0.000 0.418 548 V N 1.654 121.575 119.914 0.011 0.000 2.332 548 V HA -0.301 3.819 4.120 0.000 0.000 0.248 548 V C 2.059 178.174 176.094 0.035 0.000 1.055 548 V CA 2.672 65.013 62.300 0.068 0.000 1.038 548 V CB -0.659 31.259 31.823 0.159 0.000 0.651 548 V HN 0.522 nan 8.190 nan 0.000 0.450 549 D N -0.373 120.037 120.400 0.018 0.000 2.204 549 D HA -0.298 4.342 4.640 0.000 0.000 0.189 549 D C 2.144 178.421 176.300 -0.038 0.000 1.006 549 D CA 2.172 56.165 54.000 -0.013 0.000 0.855 549 D CB -0.119 40.669 40.800 -0.020 0.000 0.946 549 D HN 0.385 nan 8.370 nan 0.000 0.448 550 K N 0.417 120.795 120.400 -0.036 0.000 2.000 550 K HA -0.179 4.141 4.320 0.000 0.000 0.218 550 K C 2.472 179.056 176.600 -0.027 0.000 1.053 550 K CA 1.096 57.360 56.287 -0.039 0.000 0.946 550 K CB -1.307 31.175 32.500 -0.030 0.000 0.723 550 K HN 0.366 nan 8.250 nan 0.000 0.446 551 L N 0.953 122.168 121.223 -0.013 0.000 1.997 551 L HA -0.258 4.082 4.340 0.000 0.000 0.227 551 L C 2.546 179.409 176.870 -0.012 0.000 1.087 551 L CA 2.289 57.122 54.840 -0.011 0.000 0.797 551 L CB -1.252 40.806 42.059 -0.001 0.000 0.902 551 L HN 0.139 nan 8.230 nan 0.000 0.441 552 V N -2.664 117.250 119.914 -0.001 0.000 2.913 552 V HA -0.138 3.983 4.120 0.000 0.000 0.260 552 V C 2.436 178.521 176.094 -0.014 0.000 1.098 552 V CA 1.439 63.739 62.300 -0.001 0.000 1.121 552 V CB -0.455 31.379 31.823 0.018 0.000 0.714 552 V HN 0.599 nan 8.190 nan 0.000 0.487 553 S N 2.410 118.092 115.700 -0.029 0.000 2.396 553 S HA 0.183 4.654 4.470 0.000 0.000 0.204 553 S C 1.476 176.057 174.600 -0.032 0.000 1.060 553 S CA 0.548 58.723 58.200 -0.041 0.000 1.098 553 S CB -1.287 61.872 63.200 -0.068 0.000 1.022 553 S HN 1.567 nan 8.310 nan 0.000 0.413 554 A N 1.105 123.905 122.820 -0.033 0.000 2.572 554 A HA 0.443 4.763 4.320 0.000 0.000 0.256 554 A C 1.170 178.742 177.584 -0.021 0.000 1.041 554 A CA 0.490 52.511 52.037 -0.026 0.000 0.790 554 A CB -1.405 17.579 19.000 -0.026 0.000 0.947 554 A HN 1.847 nan 8.150 nan 0.000 0.518 555 G N 2.247 111.037 108.800 -0.018 0.000 3.509 555 G HA2 -0.028 3.932 3.960 0.000 0.000 0.220 555 G HA3 -0.028 3.932 3.960 0.000 0.000 0.220 555 G C 0.297 175.190 174.900 -0.012 0.000 0.951 555 G CA -0.090 45.001 45.100 -0.014 0.000 0.844 555 G HN 0.701 nan 8.290 nan 0.000 0.568 556 I N 0.000 120.562 120.570 -0.014 0.000 2.984 556 I HA 0.000 4.170 4.170 0.000 0.000 0.288 556 I CA 0.000 61.293 61.300 -0.012 0.000 1.566 556 I CB 0.000 37.991 38.000 -0.015 0.000 1.214 556 I HN 0.000 nan 8.210 nan 0.000 0.494