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 2fon_1_B DATA FIRST_RESID 3 DATA SEQUENCE GVDYLADERK KAGFDVDEMK IVWAGSRHDF ELTDRISKLV ASDPGFSKEG DATA SEQUENCE RTMLPRKELF KNTLRKAAYA WKRIIELRLS QEEATMLRRY VDEPAFTDLH DATA SEQUENCE WGMFIPAIKG QGTDKQQEKW LPLAYKMQII GCYAQTELGH GSNVQGLETT DATA SEQUENCE ATFDPQTDEF VIHSPTLTSS KWWPGGLGKV STHAVVYARL ITDGKDYGVN DATA SEQUENCE GFIVQLRSLE DHKPLPGVTV GDIGMKFGNG AYNSMDNGVL SFDHVRIPRD DATA SEQUENCE QMLMRVSQVT KEGKYVQSDI PRQLLYGTMV YVRQSIVADA SLAMSRAVCI DATA SEQUENCE ATRYSAVRRQ FGSQNGGQET QVIDYKTQQN RLFPLLASAY AFRFVGEWLK DATA SEQUENCE WLYTDVTQRL AANDFSTLPE AHACTAGLKS LTTSATADGI EECRKLCGGH DATA SEQUENCE GYLCSSGLPE LFAVYVPACT YEGDNVVLQL QVARFLMKTI SQLGTGKKPV DATA SEQUENCE GTVSYMGRIE HLMQCRSDVK QAEDWLKPSA VLEAFEARSA RMSVACAKNL DATA SEQUENCE SKFENQEEGF AELAADLVEA AVAHCQLIVV SKYIEKLQQN IPGKGVKQQL DATA SEQUENCE EVLCGIYSLF ILHKHQGDFL GTGYITSKQG SLANDQLRAL YSQLRPNAVS DATA SEQUENCE LVDAFNYTDH YLGSILGRYD GNVYPKLYEA AWKDPLNKSD IADGFHEYIR DATA SEQUENCE PLLKQQ 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.952 3.960 -0.014 0.000 0.244 3 G C 0.000 174.874 174.900 -0.043 0.000 0.946 3 G CA 0.000 45.111 45.100 0.018 0.000 0.502 4 V N 0.128 119.958 119.914 -0.140 0.000 3.051 4 V HA 0.661 4.773 4.120 -0.014 0.000 0.306 4 V C -0.026 175.877 176.094 -0.318 0.000 1.083 4 V CA -0.267 61.846 62.300 -0.310 0.000 1.104 4 V CB 1.914 33.405 31.823 -0.553 0.000 1.027 4 V HN 0.600 nan 8.190 nan 0.000 0.483 5 D N 2.191 122.440 120.400 -0.252 0.000 2.456 5 D HA 0.253 4.885 4.640 -0.014 0.000 0.219 5 D C 0.300 176.460 176.300 -0.232 0.000 1.126 5 D CA -0.273 53.646 54.000 -0.136 0.000 0.890 5 D CB 0.100 40.892 40.800 -0.013 0.000 1.025 5 D HN 0.619 nan 8.370 nan 0.000 0.511 6 Y N 2.468 122.758 120.300 -0.018 0.000 2.751 6 Y HA 0.020 4.561 4.550 -0.014 0.000 0.310 6 Y C 1.370 177.230 175.900 -0.067 0.000 1.176 6 Y CA 0.437 58.513 58.100 -0.040 0.000 1.360 6 Y CB -0.009 38.424 38.460 -0.044 0.000 0.999 6 Y HN 0.400 nan 8.280 nan 0.000 0.532 7 L N -1.717 119.507 121.223 0.002 0.000 3.184 7 L HA 0.334 4.666 4.340 -0.014 0.000 0.283 7 L C 1.996 178.811 176.870 -0.092 0.000 1.218 7 L CA 0.024 54.827 54.840 -0.062 0.000 1.028 7 L CB 0.089 42.071 42.059 -0.129 0.000 1.400 7 L HN 0.104 nan 8.230 nan 0.000 0.591 8 A N 0.717 123.491 122.820 -0.076 0.000 1.940 8 A HA -0.223 4.089 4.320 -0.014 0.000 0.219 8 A C 1.822 179.367 177.584 -0.065 0.000 1.176 8 A CA 2.180 54.175 52.037 -0.070 0.000 0.631 8 A CB -0.281 18.680 19.000 -0.065 0.000 0.814 8 A HN 0.494 nan 8.150 nan 0.000 0.446 9 D N 0.140 120.507 120.400 -0.054 0.000 2.117 9 D HA -0.142 4.489 4.640 -0.014 0.000 0.198 9 D C 1.608 177.876 176.300 -0.054 0.000 0.982 9 D CA 1.147 55.119 54.000 -0.046 0.000 0.828 9 D CB -0.621 40.160 40.800 -0.031 0.000 0.967 9 D HN 0.419 nan 8.370 nan 0.000 0.464 10 E N 0.795 120.959 120.200 -0.061 0.000 2.106 10 E HA -0.088 4.254 4.350 -0.014 0.000 0.192 10 E C 2.245 178.791 176.600 -0.090 0.000 0.984 10 E CA 0.483 56.841 56.400 -0.069 0.000 0.806 10 E CB -0.143 29.514 29.700 -0.072 0.000 0.750 10 E HN 0.359 nan 8.360 nan 0.000 0.458 11 R N 0.839 121.274 120.500 -0.108 0.000 2.073 11 R HA -0.103 4.229 4.340 -0.014 0.000 0.234 11 R C 2.441 178.667 176.300 -0.123 0.000 1.134 11 R CA 1.392 57.415 56.100 -0.128 0.000 0.952 11 R CB -0.146 30.080 30.300 -0.124 0.000 0.850 11 R HN 0.033 nan 8.270 nan 0.000 0.433 12 K N 0.847 121.191 120.400 -0.093 0.000 2.059 12 K HA -0.182 4.130 4.320 -0.014 0.000 0.212 12 K C 1.724 178.271 176.600 -0.089 0.000 1.050 12 K CA 1.597 57.834 56.287 -0.083 0.000 0.927 12 K CB -0.036 32.428 32.500 -0.060 0.000 0.714 12 K HN 0.082 nan 8.250 nan 0.000 0.447 13 K N 0.547 120.900 120.400 -0.078 0.000 2.589 13 K HA -0.042 4.270 4.320 -0.014 0.000 0.195 13 K C 0.357 176.909 176.600 -0.080 0.000 1.040 13 K CA 0.188 56.437 56.287 -0.063 0.000 0.950 13 K CB -0.113 32.360 32.500 -0.046 0.000 0.781 13 K HN 0.160 nan 8.250 nan 0.000 0.486 14 A N 0.849 123.584 122.820 -0.142 0.000 2.425 14 A HA 0.343 4.655 4.320 -0.014 0.000 0.249 14 A C 0.827 178.307 177.584 -0.173 0.000 1.084 14 A CA 0.110 52.011 52.037 -0.228 0.000 0.781 14 A CB 0.511 19.233 19.000 -0.462 0.000 1.019 14 A HN 0.303 nan 8.150 nan 0.000 0.490 15 G N 1.120 109.874 108.800 -0.077 0.000 4.757 15 G HA2 0.536 4.488 3.960 -0.014 0.000 0.303 15 G HA3 0.536 4.488 3.960 -0.014 0.000 0.303 15 G C -0.404 174.586 174.900 0.149 0.000 1.318 15 G CA 0.094 45.208 45.100 0.023 0.000 1.020 15 G HN 1.209 nan 8.290 nan 0.000 0.589 16 F N -2.116 117.813 119.950 -0.035 0.000 2.858 16 F HA 0.580 5.098 4.527 -0.014 0.000 0.319 16 F C -2.114 173.668 175.800 -0.031 0.000 1.166 16 F CA -1.677 56.304 58.000 -0.032 0.000 0.899 16 F CB 1.133 40.111 39.000 -0.037 0.000 1.332 16 F HN -0.056 nan 8.300 nan 0.000 0.461 17 D N 1.731 122.250 120.400 0.197 0.000 2.347 17 D HA 0.312 4.944 4.640 -0.014 0.000 0.235 17 D C 1.077 177.476 176.300 0.165 0.000 1.149 17 D CA -0.098 53.945 54.000 0.072 0.000 0.850 17 D CB 1.768 42.618 40.800 0.083 0.000 1.061 17 D HN 0.746 nan 8.370 nan 0.000 0.487 18 V N 1.672 121.565 119.914 -0.036 0.000 2.548 18 V HA -0.102 4.010 4.120 -0.014 0.000 0.249 18 V C 1.418 177.544 176.094 0.053 0.000 1.055 18 V CA 1.199 63.534 62.300 0.059 0.000 1.065 18 V CB -0.289 31.485 31.823 -0.081 0.000 0.681 18 V HN 0.373 nan 8.190 nan 0.000 0.462 19 D N 0.441 120.836 120.400 -0.008 0.000 2.144 19 D HA -0.152 4.480 4.640 -0.014 0.000 0.199 19 D C 2.259 178.491 176.300 -0.114 0.000 0.984 19 D CA 1.702 55.658 54.000 -0.074 0.000 0.834 19 D CB -0.055 40.713 40.800 -0.053 0.000 0.955 19 D HN 0.539 nan 8.370 nan 0.000 0.465 20 E N 0.288 120.475 120.200 -0.021 0.000 2.107 20 E HA -0.092 4.250 4.350 -0.014 0.000 0.191 20 E C 2.052 178.669 176.600 0.028 0.000 0.982 20 E CA 0.228 56.620 56.400 -0.013 0.000 0.809 20 E CB -0.218 29.498 29.700 0.028 0.000 0.756 20 E HN 0.203 nan 8.360 nan 0.000 0.459 21 M N 1.573 121.244 119.600 0.118 0.000 2.108 21 M HA -0.171 4.301 4.480 -0.014 0.000 0.261 21 M C 1.799 178.190 176.300 0.153 0.000 1.066 21 M CA 1.549 56.950 55.300 0.168 0.000 1.107 21 M CB -0.057 32.691 32.600 0.247 0.000 1.356 21 M HN -0.116 nan 8.290 nan 0.000 0.406 22 K N -0.276 120.144 120.400 0.033 0.000 2.034 22 K HA -0.224 4.088 4.320 -0.014 0.000 0.214 22 K C 1.958 178.503 176.600 -0.092 0.000 1.051 22 K CA 2.100 58.353 56.287 -0.056 0.000 0.931 22 K CB -0.810 31.500 32.500 -0.317 0.000 0.715 22 K HN 0.373 nan 8.250 nan 0.000 0.446 23 I N 0.844 121.270 120.570 -0.240 0.000 2.226 23 I HA -0.259 3.902 4.170 -0.014 0.000 0.245 23 I C 2.303 178.458 176.117 0.063 0.000 1.100 23 I CA 0.978 62.198 61.300 -0.134 0.000 1.374 23 I CB -0.207 37.711 38.000 -0.137 0.000 1.057 23 I HN -0.079 nan 8.210 nan 0.000 0.413 24 V N 0.081 120.068 119.914 0.121 0.000 2.295 24 V HA -0.319 3.792 4.120 -0.014 0.000 0.246 24 V C 2.113 178.369 176.094 0.270 0.000 1.049 24 V CA 1.941 64.363 62.300 0.204 0.000 1.024 24 V CB -0.874 31.112 31.823 0.271 0.000 0.648 24 V HN 0.640 nan 8.190 nan 0.000 0.447 25 W N 1.102 122.474 121.300 0.121 0.000 2.333 25 W HA -0.245 4.406 4.660 -0.015 0.000 0.316 25 W C 2.495 179.055 176.519 0.070 0.000 1.215 25 W CA 2.202 59.574 57.345 0.046 0.000 1.278 25 W CB -0.293 29.191 29.460 0.041 0.000 1.154 25 W HN 0.301 nan 8.180 nan 0.000 0.486 26 A N 0.332 123.283 122.820 0.218 0.000 2.024 26 A HA 0.023 4.335 4.320 -0.014 0.000 0.220 26 A C 1.984 179.581 177.584 0.023 0.000 1.164 26 A CA 2.979 55.107 52.037 0.152 0.000 0.643 26 A CB -1.159 18.053 19.000 0.354 0.000 0.806 26 A HN 0.814 nan 8.150 nan 0.000 0.451 27 G N -2.129 106.690 108.800 0.032 0.000 2.313 27 G HA2 -0.080 3.872 3.960 -0.014 0.000 0.215 27 G HA3 -0.080 3.872 3.960 -0.014 0.000 0.215 27 G C 0.483 175.420 174.900 0.061 0.000 1.023 27 G CA 0.788 45.904 45.100 0.027 0.000 0.626 27 G HN 2.197 nan 8.290 nan 0.000 0.503 28 S N -1.659 114.099 115.700 0.096 0.000 2.636 28 S HA 0.678 5.139 4.470 -0.014 0.000 0.266 28 S C 0.672 175.365 174.600 0.155 0.000 1.147 28 S CA 0.207 58.473 58.200 0.109 0.000 0.815 28 S CB 0.971 64.241 63.200 0.117 0.000 1.119 28 S HN 0.249 nan 8.310 nan 0.000 0.470 29 R N 0.220 120.812 120.500 0.153 0.000 2.093 29 R HA 0.011 4.343 4.340 -0.014 0.000 0.224 29 R C 2.028 178.449 176.300 0.201 0.000 1.101 29 R CA 1.366 57.575 56.100 0.182 0.000 0.979 29 R CB -1.153 29.228 30.300 0.135 0.000 0.877 29 R HN 0.837 nan 8.270 nan 0.000 0.441 30 H N 1.597 120.720 119.070 0.089 0.000 2.290 30 H HA -0.133 4.415 4.556 -0.014 0.000 0.298 30 H C 1.079 176.446 175.328 0.065 0.000 1.087 30 H CA 1.805 57.890 56.048 0.061 0.000 1.291 30 H CB 0.272 30.056 29.762 0.038 0.000 1.369 30 H HN 0.123 nan 8.280 nan 0.000 0.492 31 D N 0.010 120.489 120.400 0.131 0.000 2.104 31 D HA -0.162 4.470 4.640 -0.014 0.000 0.194 31 D C 2.120 178.451 176.300 0.053 0.000 0.994 31 D CA 0.952 54.995 54.000 0.073 0.000 0.830 31 D CB -0.680 40.190 40.800 0.116 0.000 0.959 31 D HN 0.320 nan 8.370 nan 0.000 0.452 32 F N 2.201 122.147 119.950 -0.006 0.000 2.102 32 F HA -0.159 4.360 4.527 -0.013 0.000 0.298 32 F C 2.278 178.050 175.800 -0.045 0.000 1.105 32 F CA 1.266 59.267 58.000 0.001 0.000 1.239 32 F CB -0.137 38.882 39.000 0.032 0.000 0.991 32 F HN -0.204 nan 8.300 nan 0.000 0.474 33 E N 0.784 120.898 120.200 -0.144 0.000 2.114 33 E HA -0.279 4.063 4.350 -0.014 0.000 0.199 33 E C 2.292 178.696 176.600 -0.328 0.000 1.008 33 E CA 1.800 58.047 56.400 -0.255 0.000 0.810 33 E CB -0.654 28.975 29.700 -0.118 0.000 0.739 33 E HN 0.594 nan 8.360 nan 0.000 0.456 34 L N 0.015 121.057 121.223 -0.302 0.000 2.102 34 L HA -0.092 4.239 4.340 -0.014 0.000 0.202 34 L C 2.410 179.137 176.870 -0.237 0.000 1.076 34 L CA 1.518 56.197 54.840 -0.268 0.000 0.761 34 L CB -0.376 41.517 42.059 -0.277 0.000 0.921 34 L HN 0.056 nan 8.230 nan 0.000 0.444 35 T N -0.764 113.661 114.554 -0.214 0.000 2.684 35 T HA -0.262 4.080 4.350 -0.014 0.000 0.267 35 T C 1.432 175.899 174.700 -0.388 0.000 1.036 35 T CA 1.886 63.864 62.100 -0.203 0.000 1.148 35 T CB -0.399 68.430 68.868 -0.065 0.000 0.863 35 T HN 0.429 nan 8.240 nan 0.000 0.436 36 D N 0.594 120.673 120.400 -0.534 0.000 2.144 36 D HA -0.102 4.530 4.640 -0.014 0.000 0.199 36 D C 2.257 178.326 176.300 -0.384 0.000 0.984 36 D CA 0.932 54.602 54.000 -0.550 0.000 0.834 36 D CB -0.084 40.221 40.800 -0.826 0.000 0.955 36 D HN 0.348 nan 8.370 nan 0.000 0.465 37 R N -0.196 120.105 120.500 -0.330 0.000 2.161 37 R HA 0.005 4.337 4.340 -0.014 0.000 0.213 37 R C 1.699 177.863 176.300 -0.228 0.000 1.055 37 R CA 0.585 56.541 56.100 -0.240 0.000 0.996 37 R CB 0.028 30.210 30.300 -0.196 0.000 0.901 37 R HN 0.184 nan 8.270 nan 0.000 0.456 38 I N 0.439 120.853 120.570 -0.261 0.000 2.494 38 I HA -0.060 4.102 4.170 -0.014 0.000 0.250 38 I C 2.081 177.996 176.117 -0.336 0.000 1.112 38 I CA 0.683 61.844 61.300 -0.232 0.000 1.438 38 I CB -1.115 36.785 38.000 -0.166 0.000 1.111 38 I HN 0.150 nan 8.210 nan 0.000 0.431 39 S N 1.298 116.639 115.700 -0.598 0.000 2.422 39 S HA -0.322 4.140 4.470 -0.014 0.000 0.248 39 S C 1.997 176.366 174.600 -0.386 0.000 1.069 39 S CA 2.210 59.952 58.200 -0.765 0.000 1.214 39 S CB -0.269 62.519 63.200 -0.688 0.000 1.122 39 S HN 0.364 nan 8.310 nan 0.000 0.432 40 K N 0.233 120.466 120.400 -0.279 0.000 2.296 40 K HA 0.140 4.452 4.320 -0.014 0.000 0.200 40 K C 2.027 178.547 176.600 -0.134 0.000 1.048 40 K CA 0.465 56.646 56.287 -0.177 0.000 0.966 40 K CB -0.118 32.292 32.500 -0.151 0.000 0.754 40 K HN 0.316 nan 8.250 nan 0.000 0.466 41 L N 0.100 121.239 121.223 -0.140 0.000 2.179 41 L HA -0.088 4.244 4.340 -0.014 0.000 0.208 41 L C 1.716 178.574 176.870 -0.020 0.000 1.096 41 L CA 0.676 55.472 54.840 -0.073 0.000 0.779 41 L CB 0.143 42.154 42.059 -0.081 0.000 0.922 41 L HN -0.093 nan 8.230 nan 0.000 0.443 42 V N 0.158 120.006 119.914 -0.111 0.000 2.323 42 V HA -0.214 3.898 4.120 -0.014 0.000 0.244 42 V C 2.792 178.797 176.094 -0.149 0.000 1.041 42 V CA 1.597 63.815 62.300 -0.136 0.000 1.025 42 V CB -0.953 30.690 31.823 -0.302 0.000 0.656 42 V HN 0.562 nan 8.190 nan 0.000 0.451 43 A N 0.524 123.183 122.820 -0.269 0.000 1.972 43 A HA -0.145 4.166 4.320 -0.014 0.000 0.219 43 A C 2.097 179.573 177.584 -0.180 0.000 1.169 43 A CA 1.955 53.768 52.037 -0.372 0.000 0.635 43 A CB -0.461 18.454 19.000 -0.141 0.000 0.810 43 A HN 0.698 nan 8.150 nan 0.000 0.446 44 S N -0.917 114.740 115.700 -0.071 0.000 2.506 44 S HA 0.308 4.770 4.470 -0.014 0.000 0.245 44 S C -0.536 174.072 174.600 0.013 0.000 1.088 44 S CA -0.219 57.968 58.200 -0.021 0.000 1.099 44 S CB -0.067 63.120 63.200 -0.022 0.000 0.805 44 S HN 0.312 nan 8.310 nan 0.000 0.461 45 D N 1.433 121.861 120.400 0.047 0.000 2.505 45 D HA 0.418 5.050 4.640 -0.014 0.000 0.250 45 D C -1.979 174.324 176.300 0.005 0.000 1.164 45 D CA -2.125 51.910 54.000 0.058 0.000 0.870 45 D CB 2.192 43.088 40.800 0.160 0.000 1.160 45 D HN -0.092 nan 8.370 nan 0.000 0.549 46 P HA -0.161 nan 4.420 nan 0.000 0.222 46 P C 1.282 178.501 177.300 -0.135 0.000 1.159 46 P CA 1.727 64.787 63.100 -0.067 0.000 0.920 46 P CB 0.177 31.819 31.700 -0.097 0.000 0.793 47 G N -2.733 105.858 108.800 -0.347 0.000 2.625 47 G HA2 -0.172 3.780 3.960 -0.014 0.000 0.214 47 G HA3 -0.172 3.780 3.960 -0.014 0.000 0.214 47 G C 0.744 175.371 174.900 -0.455 0.000 1.132 47 G CA 0.087 44.825 45.100 -0.605 0.000 0.782 47 G HN 0.293 nan 8.290 nan 0.000 0.538 48 F N 0.635 120.625 119.950 0.067 0.000 2.639 48 F HA 0.327 4.846 4.527 -0.013 0.000 0.302 48 F C 1.520 177.480 175.800 0.267 0.000 1.097 48 F CA -0.681 57.412 58.000 0.154 0.000 1.294 48 F CB 0.607 39.686 39.000 0.133 0.000 1.027 48 F HN 0.033 nan 8.300 nan 0.000 0.550 49 S N 1.367 117.256 115.700 0.314 0.000 2.558 49 S HA 0.004 4.466 4.470 -0.014 0.000 0.288 49 S C 1.008 175.726 174.600 0.196 0.000 1.318 49 S CA -0.133 58.238 58.200 0.285 0.000 1.056 49 S CB 0.649 63.932 63.200 0.138 0.000 0.853 49 S HN 0.419 nan 8.310 nan 0.000 0.505 50 K N 1.847 122.305 120.400 0.095 0.000 2.397 50 K HA 0.139 4.451 4.320 -0.014 0.000 0.202 50 K C 0.063 176.667 176.600 0.007 0.000 1.022 50 K CA -0.225 56.070 56.287 0.013 0.000 1.141 50 K CB 0.211 32.653 32.500 -0.097 0.000 0.857 50 K HN 0.596 nan 8.250 nan 0.000 0.514 51 E N 0.749 120.967 120.200 0.030 0.000 2.452 51 E HA 0.013 4.354 4.350 -0.014 0.000 0.261 51 E C 1.060 177.670 176.600 0.017 0.000 0.987 51 E CA 1.366 57.779 56.400 0.021 0.000 0.926 51 E CB 0.302 30.022 29.700 0.034 0.000 0.934 51 E HN 0.393 nan 8.360 nan 0.000 0.452 52 G N 4.603 113.408 108.800 0.009 0.000 2.234 52 G HA2 -0.429 3.523 3.960 -0.014 0.000 0.260 52 G HA3 -0.429 3.523 3.960 -0.014 0.000 0.260 52 G C 1.294 176.200 174.900 0.010 0.000 0.987 52 G CA 0.665 45.771 45.100 0.010 0.000 0.625 52 G HN 0.592 nan 8.290 nan 0.000 0.532 53 R N -0.049 120.455 120.500 0.007 0.000 2.091 53 R HA -0.068 4.263 4.340 -0.014 0.000 0.238 53 R C 2.633 178.939 176.300 0.011 0.000 1.136 53 R CA 2.140 58.247 56.100 0.013 0.000 0.959 53 R CB -0.544 29.762 30.300 0.009 0.000 0.856 53 R HN 0.400 nan 8.270 nan 0.000 0.437 54 T N 1.179 115.732 114.554 -0.003 0.000 2.897 54 T HA -0.139 4.203 4.350 -0.014 0.000 0.271 54 T C 1.412 176.114 174.700 0.002 0.000 1.084 54 T CA 1.625 63.721 62.100 -0.006 0.000 1.123 54 T CB -0.067 68.786 68.868 -0.025 0.000 0.865 54 T HN 0.425 nan 8.240 nan 0.000 0.496 55 M N -0.308 119.295 119.600 0.006 0.000 2.383 55 M HA 0.386 4.858 4.480 -0.014 0.000 0.247 55 M C -0.143 176.170 176.300 0.022 0.000 1.117 55 M CA 0.095 55.402 55.300 0.011 0.000 0.995 55 M CB -0.180 32.423 32.600 0.006 0.000 1.480 55 M HN -0.045 nan 8.290 nan 0.000 0.485 56 L N 3.034 124.274 121.223 0.028 0.000 2.349 56 L HA 0.427 4.759 4.340 -0.014 0.000 0.275 56 L C -2.030 174.867 176.870 0.044 0.000 1.115 56 L CA -1.950 52.912 54.840 0.038 0.000 0.820 56 L CB 0.211 42.297 42.059 0.045 0.000 1.135 56 L HN -0.004 nan 8.230 nan 0.000 0.445 57 P HA 0.119 nan 4.420 nan 0.000 0.272 57 P C 0.247 177.583 177.300 0.059 0.000 1.223 57 P CA -0.525 62.601 63.100 0.045 0.000 0.784 57 P CB 0.682 32.404 31.700 0.038 0.000 0.923 58 R N 2.645 123.179 120.500 0.057 0.000 2.133 58 R HA -0.289 4.043 4.340 -0.014 0.000 0.245 58 R C 2.351 178.711 176.300 0.100 0.000 1.137 58 R CA 3.214 59.356 56.100 0.071 0.000 0.947 58 R CB -1.371 28.950 30.300 0.034 0.000 0.865 58 R HN 0.475 nan 8.270 nan 0.000 0.437 59 K N 0.487 120.929 120.400 0.069 0.000 2.034 59 K HA -0.247 4.065 4.320 -0.014 0.000 0.214 59 K C 2.128 178.810 176.600 0.135 0.000 1.051 59 K CA 2.246 58.590 56.287 0.095 0.000 0.931 59 K CB -1.045 31.487 32.500 0.053 0.000 0.715 59 K HN 0.576 nan 8.250 nan 0.000 0.446 60 E N -0.129 120.128 120.200 0.095 0.000 2.152 60 E HA -0.002 4.340 4.350 -0.014 0.000 0.192 60 E C 1.978 178.635 176.600 0.095 0.000 0.983 60 E CA 0.852 57.303 56.400 0.084 0.000 0.818 60 E CB -0.193 29.540 29.700 0.056 0.000 0.758 60 E HN 0.420 nan 8.360 nan 0.000 0.467 61 L N -0.065 121.224 121.223 0.110 0.000 1.990 61 L HA -0.186 4.145 4.340 -0.014 0.000 0.213 61 L C 2.014 178.974 176.870 0.151 0.000 1.072 61 L CA 1.741 56.650 54.840 0.115 0.000 0.755 61 L CB -0.546 41.589 42.059 0.126 0.000 0.889 61 L HN 0.152 nan 8.230 nan 0.000 0.432 62 F N 0.237 120.212 119.950 0.042 0.000 2.186 62 F HA -0.192 4.327 4.527 -0.014 0.000 0.299 62 F C 2.550 178.381 175.800 0.052 0.000 1.090 62 F CA 2.055 60.085 58.000 0.050 0.000 1.307 62 F CB -0.254 38.768 39.000 0.037 0.000 1.019 62 F HN 0.151 nan 8.300 nan 0.000 0.489 63 K N 0.132 120.595 120.400 0.104 0.000 2.025 63 K HA -0.249 4.063 4.320 -0.014 0.000 0.207 63 K C 2.039 178.617 176.600 -0.037 0.000 1.049 63 K CA 1.755 58.053 56.287 0.019 0.000 0.933 63 K CB -0.446 32.093 32.500 0.065 0.000 0.714 63 K HN 0.212 nan 8.250 nan 0.000 0.438 64 N N -0.184 118.517 118.700 0.002 0.000 2.094 64 N HA -0.139 4.593 4.740 -0.014 0.000 0.191 64 N C 1.328 176.829 175.510 -0.016 0.000 1.023 64 N CA 2.154 55.206 53.050 0.002 0.000 0.857 64 N CB -0.179 38.323 38.487 0.025 0.000 1.013 64 N HN 0.201 nan 8.380 nan 0.000 0.426 65 T N 0.695 115.209 114.554 -0.066 0.000 2.746 65 T HA -0.090 4.252 4.350 -0.014 0.000 0.267 65 T C 1.844 176.502 174.700 -0.070 0.000 1.039 65 T CA 0.976 63.030 62.100 -0.077 0.000 1.142 65 T CB -0.288 68.492 68.868 -0.146 0.000 0.866 65 T HN 0.188 nan 8.240 nan 0.000 0.444 66 L N 0.439 121.553 121.223 -0.183 0.000 2.012 66 L HA -0.118 4.213 4.340 -0.014 0.000 0.210 66 L C 2.940 179.832 176.870 0.038 0.000 1.073 66 L CA 1.442 56.233 54.840 -0.082 0.000 0.748 66 L CB -0.602 41.346 42.059 -0.184 0.000 0.891 66 L HN 0.185 nan 8.230 nan 0.000 0.431 67 R N 0.719 121.230 120.500 0.019 0.000 2.094 67 R HA -0.228 4.103 4.340 -0.014 0.000 0.239 67 R C 2.385 178.757 176.300 0.121 0.000 1.137 67 R CA 1.908 58.041 56.100 0.054 0.000 0.943 67 R CB -0.104 30.206 30.300 0.016 0.000 0.850 67 R HN 0.260 nan 8.270 nan 0.000 0.433 68 K N -0.503 119.976 120.400 0.131 0.000 2.057 68 K HA -0.105 4.206 4.320 -0.014 0.000 0.207 68 K C 2.046 178.814 176.600 0.280 0.000 1.049 68 K CA 1.281 57.714 56.287 0.242 0.000 0.931 68 K CB -0.123 32.517 32.500 0.234 0.000 0.714 68 K HN 0.249 nan 8.250 nan 0.000 0.440 69 A N 1.306 124.237 122.820 0.184 0.000 1.883 69 A HA -0.200 4.111 4.320 -0.014 0.000 0.217 69 A C 2.327 180.056 177.584 0.241 0.000 1.186 69 A CA 2.106 54.237 52.037 0.156 0.000 0.624 69 A CB -0.838 18.242 19.000 0.133 0.000 0.822 69 A HN 0.392 nan 8.150 nan 0.000 0.444 70 A N -1.558 121.413 122.820 0.252 0.000 1.883 70 A HA -0.149 4.162 4.320 -0.014 0.000 0.217 70 A C 2.192 179.952 177.584 0.293 0.000 1.186 70 A CA 1.831 54.032 52.037 0.274 0.000 0.624 70 A CB -0.894 18.228 19.000 0.203 0.000 0.822 70 A HN 0.778 nan 8.150 nan 0.000 0.444 71 Y N 0.625 121.011 120.300 0.143 0.000 2.181 71 Y HA -0.063 4.479 4.550 -0.014 0.000 0.288 71 Y C 2.654 178.656 175.900 0.171 0.000 1.146 71 Y CA 1.147 59.292 58.100 0.075 0.000 1.164 71 Y CB -0.638 37.778 38.460 -0.073 0.000 0.982 71 Y HN 0.310 nan 8.280 nan 0.000 0.515 72 A N 1.029 124.014 122.820 0.274 0.000 1.883 72 A HA -0.261 4.051 4.320 -0.014 0.000 0.217 72 A C 2.357 180.035 177.584 0.157 0.000 1.186 72 A CA 1.641 53.840 52.037 0.269 0.000 0.624 72 A CB -1.829 17.349 19.000 0.298 0.000 0.822 72 A HN 0.864 nan 8.150 nan 0.000 0.444 73 W N 0.792 122.107 121.300 0.024 0.000 2.317 73 W HA -0.247 4.405 4.660 -0.014 0.000 0.318 73 W C 2.158 178.664 176.519 -0.022 0.000 1.227 73 W CA 2.174 59.533 57.345 0.022 0.000 1.269 73 W CB -0.239 29.272 29.460 0.086 0.000 1.155 73 W HN 0.384 nan 8.180 nan 0.000 0.484 74 K N 0.201 120.557 120.400 -0.073 0.000 2.160 74 K HA -0.237 4.075 4.320 -0.014 0.000 0.206 74 K C 2.034 178.451 176.600 -0.305 0.000 1.047 74 K CA 1.461 57.615 56.287 -0.222 0.000 0.930 74 K CB -0.137 32.296 32.500 -0.111 0.000 0.720 74 K HN -0.009 nan 8.250 nan 0.000 0.450 75 R N 0.276 120.584 120.500 -0.318 0.000 2.119 75 R HA 0.021 4.353 4.340 -0.014 0.000 0.222 75 R C 2.237 178.400 176.300 -0.228 0.000 1.088 75 R CA 0.727 56.665 56.100 -0.270 0.000 0.984 75 R CB -0.490 29.686 30.300 -0.206 0.000 0.884 75 R HN 0.315 nan 8.270 nan 0.000 0.447 76 I N 0.769 121.188 120.570 -0.251 0.000 2.264 76 I HA -0.279 3.883 4.170 -0.014 0.000 0.248 76 I C 1.999 177.890 176.117 -0.377 0.000 1.111 76 I CA 1.072 62.196 61.300 -0.294 0.000 1.382 76 I CB -0.164 37.659 38.000 -0.296 0.000 1.060 76 I HN 0.004 nan 8.210 nan 0.000 0.418 77 I N 0.536 120.804 120.570 -0.502 0.000 2.141 77 I HA -0.209 3.953 4.170 -0.014 0.000 0.236 77 I C 2.422 178.384 176.117 -0.259 0.000 1.071 77 I CA 1.604 62.644 61.300 -0.433 0.000 1.345 77 I CB -1.361 36.338 38.000 -0.502 0.000 1.066 77 I HN 0.286 nan 8.210 nan 0.000 0.406 78 E N 0.686 120.750 120.200 -0.227 0.000 2.273 78 E HA -0.185 4.157 4.350 -0.014 0.000 0.198 78 E C 1.736 178.260 176.600 -0.127 0.000 1.002 78 E CA 0.971 57.280 56.400 -0.153 0.000 0.828 78 E CB -0.123 29.496 29.700 -0.135 0.000 0.747 78 E HN 0.485 nan 8.360 nan 0.000 0.491 79 L N -0.484 120.654 121.223 -0.142 0.000 2.728 79 L HA 0.255 4.587 4.340 -0.014 0.000 0.238 79 L C 0.495 177.297 176.870 -0.113 0.000 1.143 79 L CA -0.281 54.491 54.840 -0.113 0.000 0.937 79 L CB 0.184 42.180 42.059 -0.104 0.000 1.225 79 L HN -0.062 nan 8.230 nan 0.000 0.507 80 R N 0.569 120.989 120.500 -0.134 0.000 3.741 80 R HA -0.168 4.164 4.340 -0.014 0.000 0.292 80 R C -0.098 176.134 176.300 -0.113 0.000 1.176 80 R CA 0.299 56.327 56.100 -0.120 0.000 0.794 80 R CB -1.993 28.256 30.300 -0.085 0.000 1.213 80 R HN 0.357 nan 8.270 nan 0.000 0.494 81 L N 1.513 122.657 121.223 -0.132 0.000 2.543 81 L HA -0.028 4.303 4.340 -0.014 0.000 0.285 81 L C 1.470 178.269 176.870 -0.118 0.000 1.236 81 L CA 0.562 55.330 54.840 -0.122 0.000 0.871 81 L CB 0.359 42.334 42.059 -0.139 0.000 1.121 81 L HN 0.225 nan 8.230 nan 0.000 0.501 82 S N 1.866 117.510 115.700 -0.093 0.000 2.596 82 S HA 0.033 4.495 4.470 -0.014 0.000 0.260 82 S C 0.731 175.260 174.600 -0.118 0.000 1.336 82 S CA -0.576 57.572 58.200 -0.088 0.000 0.993 82 S CB 0.968 64.135 63.200 -0.054 0.000 0.923 82 S HN 0.666 nan 8.310 nan 0.000 0.567 83 Q N 0.350 120.075 119.800 -0.124 0.000 2.135 83 Q HA -0.204 4.128 4.340 -0.014 0.000 0.204 83 Q C 2.270 178.192 176.000 -0.130 0.000 0.981 83 Q CA 1.756 57.458 55.803 -0.167 0.000 0.856 83 Q CB -0.224 28.425 28.738 -0.147 0.000 0.902 83 Q HN 0.937 nan 8.270 nan 0.000 0.425 84 E N 1.261 121.419 120.200 -0.071 0.000 2.038 84 E HA -0.266 4.076 4.350 -0.014 0.000 0.195 84 E C 1.587 178.148 176.600 -0.066 0.000 1.000 84 E CA 1.376 57.751 56.400 -0.042 0.000 0.803 84 E CB 0.010 29.712 29.700 0.003 0.000 0.750 84 E HN 0.367 nan 8.360 nan 0.000 0.448 85 E N 0.159 120.314 120.200 -0.075 0.000 2.085 85 E HA -0.212 4.129 4.350 -0.014 0.000 0.194 85 E C 2.068 178.600 176.600 -0.113 0.000 0.994 85 E CA 1.096 57.442 56.400 -0.089 0.000 0.801 85 E CB -0.204 29.441 29.700 -0.093 0.000 0.743 85 E HN 0.438 nan 8.360 nan 0.000 0.453 86 A N 0.744 123.473 122.820 -0.153 0.000 1.933 86 A HA -0.200 4.112 4.320 -0.014 0.000 0.218 86 A C 2.329 179.791 177.584 -0.202 0.000 1.175 86 A CA 1.939 53.858 52.037 -0.197 0.000 0.628 86 A CB -0.847 17.984 19.000 -0.282 0.000 0.814 86 A HN 0.224 nan 8.150 nan 0.000 0.444 87 T N -0.423 114.025 114.554 -0.177 0.000 2.674 87 T HA -0.209 4.133 4.350 -0.014 0.000 0.265 87 T C 1.900 176.530 174.700 -0.117 0.000 1.039 87 T CA 1.851 63.868 62.100 -0.139 0.000 1.150 87 T CB -0.328 68.489 68.868 -0.085 0.000 0.864 87 T HN 0.319 nan 8.240 nan 0.000 0.427 88 M N 1.064 120.617 119.600 -0.078 0.000 2.088 88 M HA -0.050 4.422 4.480 -0.014 0.000 0.256 88 M C 2.131 178.428 176.300 -0.006 0.000 1.071 88 M CA 1.364 56.654 55.300 -0.016 0.000 1.097 88 M CB -1.066 31.549 32.600 0.025 0.000 1.315 88 M HN 0.245 nan 8.290 nan 0.000 0.406 89 L N -0.693 120.492 121.223 -0.064 0.000 2.012 89 L HA -0.286 4.045 4.340 -0.014 0.000 0.210 89 L C 2.430 179.204 176.870 -0.161 0.000 1.073 89 L CA 1.764 56.539 54.840 -0.109 0.000 0.748 89 L CB -0.327 41.647 42.059 -0.142 0.000 0.891 89 L HN 0.253 nan 8.230 nan 0.000 0.431 90 R N -0.918 119.488 120.500 -0.156 0.000 2.120 90 R HA -0.181 4.150 4.340 -0.014 0.000 0.234 90 R C 2.436 178.635 176.300 -0.169 0.000 1.123 90 R CA 1.419 57.426 56.100 -0.155 0.000 0.975 90 R CB -0.363 29.859 30.300 -0.130 0.000 0.866 90 R HN 0.386 nan 8.270 nan 0.000 0.446 91 R N 0.110 120.475 120.500 -0.225 0.000 2.083 91 R HA -0.201 4.131 4.340 -0.014 0.000 0.237 91 R C 1.577 177.618 176.300 -0.432 0.000 1.137 91 R CA 1.832 57.711 56.100 -0.369 0.000 0.951 91 R CB -0.264 29.688 30.300 -0.580 0.000 0.851 91 R HN 0.292 nan 8.270 nan 0.000 0.434 92 Y N -0.402 119.780 120.300 -0.198 0.000 2.457 92 Y HA -0.092 4.450 4.550 -0.014 0.000 0.292 92 Y C 2.237 178.103 175.900 -0.058 0.000 1.125 92 Y CA 0.479 58.446 58.100 -0.222 0.000 1.254 92 Y CB 0.164 38.438 38.460 -0.310 0.000 1.012 92 Y HN -0.101 nan 8.280 nan 0.000 0.555 93 V N 0.065 119.927 119.914 -0.087 0.000 2.469 93 V HA -0.312 3.800 4.120 -0.014 0.000 0.251 93 V C 0.768 176.910 176.094 0.081 0.000 1.064 93 V CA 2.036 64.286 62.300 -0.085 0.000 1.066 93 V CB -0.704 30.994 31.823 -0.209 0.000 0.667 93 V HN 0.578 nan 8.190 nan 0.000 0.461 94 D N 0.499 120.933 120.400 0.055 0.000 2.716 94 D HA -0.215 4.417 4.640 -0.014 0.000 0.239 94 D C 0.003 176.307 176.300 0.007 0.000 1.125 94 D CA 1.140 55.188 54.000 0.079 0.000 0.681 94 D CB -0.841 40.076 40.800 0.196 0.000 1.070 94 D HN 0.820 nan 8.370 nan 0.000 0.432 95 E N 0.133 120.318 120.200 -0.025 0.000 2.274 95 E HA 0.512 4.853 4.350 -0.014 0.000 0.269 95 E C -2.696 173.842 176.600 -0.104 0.000 0.891 95 E CA -2.066 54.304 56.400 -0.050 0.000 0.784 95 E CB 1.393 31.092 29.700 -0.003 0.000 1.225 95 E HN -0.059 nan 8.360 nan 0.000 0.412 96 P HA 0.250 nan 4.420 nan 0.000 0.265 96 P C -1.263 175.958 177.300 -0.132 0.000 1.193 96 P CA 0.067 62.994 63.100 -0.289 0.000 0.765 96 P CB 1.149 32.403 31.700 -0.744 0.000 0.823 97 A N 2.182 124.955 122.820 -0.078 0.000 2.601 97 A HA 0.451 4.763 4.320 -0.014 0.000 0.291 97 A C 0.642 178.233 177.584 0.011 0.000 1.075 97 A CA -0.713 51.330 52.037 0.010 0.000 0.671 97 A CB -0.108 18.837 19.000 -0.091 0.000 1.277 97 A HN 0.473 nan 8.150 nan 0.000 0.417 98 F N 0.371 120.367 119.950 0.078 0.000 2.115 98 F HA -0.217 4.302 4.527 -0.013 0.000 0.300 98 F C 2.246 178.110 175.800 0.107 0.000 1.092 98 F CA 2.591 60.645 58.000 0.090 0.000 1.245 98 F CB -1.716 37.322 39.000 0.062 0.000 0.995 98 F HN 0.609 nan 8.300 nan 0.000 0.481 99 T N -2.085 111.917 114.554 -0.919 0.000 2.721 99 T HA -0.289 4.052 4.350 -0.014 0.000 0.268 99 T C 1.398 176.162 174.700 0.106 0.000 1.038 99 T CA 1.629 63.504 62.100 -0.375 0.000 1.145 99 T CB -0.953 67.662 68.868 -0.423 0.000 0.858 99 T HN 0.384 nan 8.240 nan 0.000 0.459 100 D N 1.588 121.998 120.400 0.018 0.000 2.133 100 D HA -0.050 4.582 4.640 -0.014 0.000 0.195 100 D C 2.025 178.408 176.300 0.137 0.000 0.997 100 D CA 1.038 55.089 54.000 0.085 0.000 0.840 100 D CB -0.351 40.465 40.800 0.028 0.000 0.947 100 D HN 0.386 nan 8.370 nan 0.000 0.452 101 L N -0.554 120.760 121.223 0.151 0.000 2.162 101 L HA -0.053 4.279 4.340 -0.014 0.000 0.205 101 L C 2.300 179.288 176.870 0.195 0.000 1.086 101 L CA 0.739 55.675 54.840 0.160 0.000 0.778 101 L CB -0.433 41.734 42.059 0.180 0.000 0.928 101 L HN 0.084 nan 8.230 nan 0.000 0.446 102 H N -0.857 118.258 119.070 0.074 0.000 2.253 102 H HA -0.249 4.298 4.556 -0.014 0.000 0.296 102 H C 1.935 177.222 175.328 -0.068 0.000 1.074 102 H CA 2.376 58.395 56.048 -0.048 0.000 1.263 102 H CB -0.334 29.294 29.762 -0.222 0.000 1.363 102 H HN 0.251 nan 8.280 nan 0.000 0.489 103 W N -0.016 121.397 121.300 0.189 0.000 2.402 103 W HA 0.049 4.701 4.660 -0.014 0.000 0.286 103 W C 2.801 179.357 176.519 0.062 0.000 1.221 103 W CA 0.947 58.362 57.345 0.117 0.000 1.257 103 W CB -0.348 29.196 29.460 0.141 0.000 1.120 103 W HN 0.375 nan 8.180 nan 0.000 0.551 104 G N -1.361 107.591 108.800 0.254 0.000 2.492 104 G HA2 -0.036 3.916 3.960 -0.014 0.000 0.214 104 G HA3 -0.036 3.916 3.960 -0.014 0.000 0.214 104 G C 1.413 176.335 174.900 0.037 0.000 1.147 104 G CA 0.850 46.030 45.100 0.134 0.000 0.809 104 G HN 0.021 nan 8.290 nan 0.000 0.533 105 M N -1.655 117.966 119.600 0.036 0.000 2.227 105 M HA 0.337 4.809 4.480 -0.014 0.000 0.226 105 M C 1.883 178.245 176.300 0.103 0.000 1.423 105 M CA -0.142 55.130 55.300 -0.047 0.000 1.055 105 M CB -0.486 31.987 32.600 -0.211 0.000 1.572 105 M HN 0.196 nan 8.290 nan 0.000 0.567 106 F N 2.451 122.398 119.950 -0.003 0.000 2.084 106 F HA -0.060 4.459 4.527 -0.014 0.000 0.296 106 F C 2.090 177.807 175.800 -0.138 0.000 1.111 106 F CA 1.757 59.737 58.000 -0.033 0.000 1.224 106 F CB -0.229 38.704 39.000 -0.111 0.000 0.991 106 F HN -0.043 nan 8.300 nan 0.000 0.471 107 I N 0.767 121.207 120.570 -0.217 0.000 2.142 107 I HA -0.203 3.959 4.170 -0.014 0.000 0.240 107 I C -0.493 175.511 176.117 -0.188 0.000 1.078 107 I CA 1.339 62.456 61.300 -0.306 0.000 1.343 107 I CB -2.058 35.839 38.000 -0.172 0.000 1.046 107 I HN 0.113 nan 8.210 nan 0.000 0.405 108 P HA -0.182 nan 4.420 nan 0.000 0.218 108 P C 1.380 178.635 177.300 -0.076 0.000 1.146 108 P CA 1.733 64.784 63.100 -0.082 0.000 0.813 108 P CB -0.025 31.629 31.700 -0.078 0.000 0.778 109 A N -0.945 121.843 122.820 -0.053 0.000 1.897 109 A HA -0.133 4.179 4.320 -0.014 0.000 0.215 109 A C 2.160 179.671 177.584 -0.122 0.000 1.181 109 A CA 1.191 53.233 52.037 0.009 0.000 0.620 109 A CB -1.414 17.704 19.000 0.197 0.000 0.821 109 A HN 0.108 nan 8.150 nan 0.000 0.443 110 I N -0.634 119.774 120.570 -0.271 0.000 2.163 110 I HA -0.258 3.904 4.170 -0.014 0.000 0.240 110 I C 2.517 178.529 176.117 -0.174 0.000 1.081 110 I CA 1.516 62.641 61.300 -0.292 0.000 1.353 110 I CB -0.363 37.372 38.000 -0.442 0.000 1.054 110 I HN 0.276 nan 8.210 nan 0.000 0.407 111 K N 0.822 121.133 120.400 -0.148 0.000 2.015 111 K HA -0.217 4.095 4.320 -0.014 0.000 0.216 111 K C 2.095 178.655 176.600 -0.066 0.000 1.052 111 K CA 1.958 58.194 56.287 -0.085 0.000 0.937 111 K CB -0.599 31.865 32.500 -0.060 0.000 0.719 111 K HN 0.473 nan 8.250 nan 0.000 0.446 112 G N 0.012 108.774 108.800 -0.063 0.000 2.443 112 G HA2 -0.217 3.734 3.960 -0.014 0.000 0.219 112 G HA3 -0.217 3.734 3.960 -0.014 0.000 0.219 112 G C 1.023 175.898 174.900 -0.042 0.000 1.131 112 G CA 0.566 45.641 45.100 -0.042 0.000 0.775 112 G HN 0.401 nan 8.290 nan 0.000 0.547 113 Q N -0.776 118.988 119.800 -0.061 0.000 2.140 113 Q HA 0.264 4.596 4.340 -0.014 0.000 0.227 113 Q C 1.004 176.941 176.000 -0.104 0.000 0.798 113 Q CA -0.132 55.629 55.803 -0.070 0.000 0.987 113 Q CB 1.609 30.317 28.738 -0.050 0.000 1.161 113 Q HN 0.293 nan 8.270 nan 0.000 0.480 114 G N 1.073 109.810 108.800 -0.106 0.000 2.451 114 G HA2 0.375 4.327 3.960 -0.014 0.000 0.303 114 G HA3 0.375 4.327 3.960 -0.014 0.000 0.303 114 G C 0.230 175.091 174.900 -0.064 0.000 1.166 114 G CA -0.269 44.772 45.100 -0.098 0.000 0.884 114 G HN 0.090 nan 8.290 nan 0.000 0.514 115 T N -2.082 112.442 114.554 -0.051 0.000 2.701 115 T HA 0.353 4.694 4.350 -0.014 0.000 0.303 115 T C 1.555 176.241 174.700 -0.023 0.000 1.030 115 T CA 0.728 62.806 62.100 -0.038 0.000 1.010 115 T CB 0.185 69.034 68.868 -0.032 0.000 1.007 115 T HN 0.665 nan 8.240 nan 0.000 0.532 116 D N 0.727 121.115 120.400 -0.019 0.000 2.127 116 D HA -0.160 4.472 4.640 -0.014 0.000 0.190 116 D C 2.508 178.804 176.300 -0.005 0.000 1.000 116 D CA 3.386 57.379 54.000 -0.012 0.000 0.839 116 D CB -1.502 39.291 40.800 -0.011 0.000 0.955 116 D HN 0.913 nan 8.370 nan 0.000 0.446 117 K N -0.083 120.315 120.400 -0.004 0.000 2.020 117 K HA -0.267 4.044 4.320 -0.014 0.000 0.212 117 K C 2.374 178.985 176.600 0.018 0.000 1.050 117 K CA 2.126 58.414 56.287 0.001 0.000 0.929 117 K CB -1.210 31.291 32.500 0.001 0.000 0.714 117 K HN 0.703 nan 8.250 nan 0.000 0.443 118 Q N -0.155 119.669 119.800 0.041 0.000 2.061 118 Q HA -0.232 4.099 4.340 -0.014 0.000 0.204 118 Q C 2.650 178.726 176.000 0.127 0.000 0.984 118 Q CA 2.110 57.984 55.803 0.118 0.000 0.846 118 Q CB -0.136 28.650 28.738 0.081 0.000 0.902 118 Q HN 0.789 nan 8.270 nan 0.000 0.421 119 Q N -0.295 119.526 119.800 0.036 0.000 2.084 119 Q HA -0.214 4.117 4.340 -0.014 0.000 0.202 119 Q C 2.365 178.358 176.000 -0.011 0.000 0.978 119 Q CA 1.660 57.462 55.803 -0.002 0.000 0.844 119 Q CB -0.305 28.420 28.738 -0.023 0.000 0.898 119 Q HN 0.551 nan 8.270 nan 0.000 0.426 120 E N 2.169 122.364 120.200 -0.008 0.000 2.058 120 E HA -0.274 4.068 4.350 -0.014 0.000 0.194 120 E C 1.706 178.270 176.600 -0.059 0.000 0.997 120 E CA 1.772 58.159 56.400 -0.021 0.000 0.801 120 E CB -0.554 29.136 29.700 -0.016 0.000 0.746 120 E HN 0.415 nan 8.360 nan 0.000 0.450 121 K N -1.533 118.815 120.400 -0.087 0.000 2.007 121 K HA -0.090 4.222 4.320 -0.014 0.000 0.206 121 K C 2.108 178.527 176.600 -0.301 0.000 1.047 121 K CA 1.452 57.597 56.287 -0.237 0.000 0.937 121 K CB -0.308 31.980 32.500 -0.354 0.000 0.718 121 K HN 0.545 nan 8.250 nan 0.000 0.438 122 W N 0.937 122.166 121.300 -0.118 0.000 2.576 122 W HA 0.115 4.767 4.660 -0.014 0.000 0.270 122 W C 1.750 178.133 176.519 -0.226 0.000 1.255 122 W CA 0.096 57.347 57.345 -0.157 0.000 1.314 122 W CB 0.041 29.392 29.460 -0.182 0.000 1.101 122 W HN 0.043 nan 8.180 nan 0.000 0.595 123 L N 0.126 121.284 121.223 -0.109 0.000 2.072 123 L HA -0.063 4.269 4.340 -0.014 0.000 0.205 123 L C -0.440 176.180 176.870 -0.417 0.000 1.079 123 L CA 0.924 55.518 54.840 -0.410 0.000 0.752 123 L CB -1.913 39.863 42.059 -0.471 0.000 0.906 123 L HN -0.143 nan 8.230 nan 0.000 0.436 124 P HA -0.182 nan 4.420 nan 0.000 0.216 124 P C 1.908 179.232 177.300 0.040 0.000 1.150 124 P CA 1.349 64.464 63.100 0.025 0.000 0.837 124 P CB 0.085 31.806 31.700 0.036 0.000 0.786 125 L N -0.842 120.373 121.223 -0.013 0.000 1.989 125 L HA -0.216 4.116 4.340 -0.014 0.000 0.211 125 L C 2.519 179.432 176.870 0.072 0.000 1.071 125 L CA 1.940 56.797 54.840 0.028 0.000 0.749 125 L CB -1.415 40.644 42.059 -0.000 0.000 0.890 125 L HN -0.036 nan 8.230 nan 0.000 0.431 126 A N -0.904 121.940 122.820 0.041 0.000 1.933 126 A HA -0.234 4.078 4.320 -0.014 0.000 0.218 126 A C 2.103 179.723 177.584 0.060 0.000 1.175 126 A CA 1.375 53.446 52.037 0.057 0.000 0.628 126 A CB -0.947 18.004 19.000 -0.081 0.000 0.814 126 A HN 0.457 nan 8.150 nan 0.000 0.444 127 Y N -0.361 119.998 120.300 0.098 0.000 2.224 127 Y HA -0.158 4.384 4.550 -0.014 0.000 0.289 127 Y C 2.062 178.230 175.900 0.445 0.000 1.146 127 Y CA 1.245 59.520 58.100 0.292 0.000 1.182 127 Y CB -0.000 38.642 38.460 0.303 0.000 0.983 127 Y HN 0.250 nan 8.280 nan 0.000 0.524 128 K N -0.140 120.536 120.400 0.459 0.000 2.374 128 K HA 0.120 4.432 4.320 -0.014 0.000 0.196 128 K C 0.214 176.954 176.600 0.233 0.000 1.023 128 K CA 0.057 56.623 56.287 0.466 0.000 1.103 128 K CB 0.240 32.948 32.500 0.346 0.000 0.848 128 K HN 0.233 nan 8.250 nan 0.000 0.528 129 M N 0.333 119.953 119.600 0.033 0.000 2.461 129 M HA -0.328 4.143 4.480 -0.014 0.000 0.203 129 M C 0.057 176.325 176.300 -0.053 0.000 0.428 129 M CA 0.794 55.985 55.300 -0.183 0.000 0.509 129 M CB -1.830 30.425 32.600 -0.575 0.000 1.851 129 M HN 0.258 nan 8.290 nan 0.000 0.834 130 Q N 0.489 120.315 119.800 0.043 0.000 2.488 130 Q HA 0.220 4.552 4.340 -0.014 0.000 0.211 130 Q C 0.720 176.751 176.000 0.050 0.000 0.967 130 Q CA 0.816 56.651 55.803 0.053 0.000 0.926 130 Q CB 0.146 28.924 28.738 0.066 0.000 0.992 130 Q HN 0.867 nan 8.270 nan 0.000 0.506 131 I N -3.725 116.866 120.570 0.034 0.000 2.894 131 I HA 0.519 4.681 4.170 -0.014 0.000 0.302 131 I C -1.273 174.831 176.117 -0.021 0.000 1.188 131 I CA -1.427 59.901 61.300 0.047 0.000 1.014 131 I CB 2.101 40.082 38.000 -0.032 0.000 1.242 131 I HN -0.228 nan 8.210 nan 0.000 0.430 132 I N 3.414 123.959 120.570 -0.042 0.000 2.439 132 I HA 0.649 4.811 4.170 -0.014 0.000 0.285 132 I C 0.138 176.108 176.117 -0.245 0.000 1.021 132 I CA -0.394 60.815 61.300 -0.151 0.000 1.091 132 I CB 1.920 39.817 38.000 -0.172 0.000 1.242 132 I HN 0.842 nan 8.210 nan 0.000 0.439 133 G N 4.547 113.015 108.800 -0.553 0.000 2.448 133 G HA2 0.671 4.623 3.960 -0.014 0.000 0.324 133 G HA3 0.671 4.623 3.960 -0.014 0.000 0.324 133 G C -0.612 173.935 174.900 -0.589 0.000 1.203 133 G CA -0.538 43.698 45.100 -1.440 0.000 0.954 133 G HN 0.822 nan 8.290 nan 0.000 0.480 134 C N -0.435 118.742 119.300 -0.205 0.000 3.119 134 C HA 0.868 5.319 4.460 -0.014 0.000 0.359 134 C C -0.822 174.377 174.990 0.349 0.000 1.486 134 C CA -1.551 57.548 59.018 0.135 0.000 1.556 134 C CB 0.978 28.795 27.740 0.128 0.000 2.063 134 C HN 0.758 nan 8.230 nan 0.000 0.454 135 Y N 0.842 121.267 120.300 0.208 0.000 2.426 135 Y HA 0.589 5.131 4.550 -0.013 0.000 0.325 135 Y C -0.060 175.981 175.900 0.236 0.000 0.989 135 Y CA -0.414 57.832 58.100 0.243 0.000 1.284 135 Y CB 0.626 39.215 38.460 0.215 0.000 1.104 135 Y HN 1.067 nan 8.280 nan 0.000 0.481 136 A N 6.262 129.159 122.820 0.129 0.000 2.736 136 A HA 0.271 4.583 4.320 -0.014 0.000 0.335 136 A C 0.419 178.090 177.584 0.146 0.000 1.446 136 A CA -0.331 51.803 52.037 0.161 0.000 1.028 136 A CB 0.467 19.556 19.000 0.148 0.000 1.154 136 A HN 0.982 nan 8.150 nan 0.000 0.507 137 Q N 1.748 121.659 119.800 0.185 0.000 2.606 137 Q HA 0.069 4.401 4.340 -0.014 0.000 0.215 137 Q C 0.276 176.401 176.000 0.209 0.000 0.908 137 Q CA 0.521 56.428 55.803 0.174 0.000 0.908 137 Q CB 0.432 29.211 28.738 0.068 0.000 1.120 137 Q HN 0.573 nan 8.270 nan 0.000 0.628 138 T N 2.340 117.049 114.554 0.257 0.000 2.946 138 T HA 0.019 4.361 4.350 -0.014 0.000 0.312 138 T C -0.450 174.425 174.700 0.292 0.000 1.066 138 T CA 0.626 62.899 62.100 0.288 0.000 1.138 138 T CB 0.530 69.626 68.868 0.382 0.000 1.014 138 T HN 0.255 nan 8.240 nan 0.000 0.544 139 E N 1.159 121.520 120.200 0.267 0.000 2.378 139 E HA 0.365 4.707 4.350 -0.014 0.000 0.265 139 E C 1.087 177.788 176.600 0.167 0.000 0.932 139 E CA -0.956 55.580 56.400 0.228 0.000 0.795 139 E CB 1.596 31.411 29.700 0.192 0.000 1.296 139 E HN 0.355 nan 8.360 nan 0.000 0.438 140 L N 0.560 121.810 121.223 0.046 0.000 2.021 140 L HA -0.213 4.118 4.340 -0.014 0.000 0.215 140 L C 1.881 178.643 176.870 -0.181 0.000 1.074 140 L CA 2.091 56.796 54.840 -0.224 0.000 0.760 140 L CB -0.323 41.531 42.059 -0.342 0.000 0.889 140 L HN 0.784 nan 8.230 nan 0.000 0.433 141 G N -3.158 105.562 108.800 -0.134 0.000 2.986 141 G HA2 0.023 3.975 3.960 -0.014 0.000 0.213 141 G HA3 0.023 3.975 3.960 -0.014 0.000 0.213 141 G C -0.335 174.185 174.900 -0.635 0.000 1.156 141 G CA -0.137 44.782 45.100 -0.302 0.000 0.763 141 G HN 0.413 nan 8.290 nan 0.000 0.547 142 H N -2.076 117.015 119.070 0.035 0.000 2.877 142 H HA 0.531 5.079 4.556 -0.014 0.000 0.347 142 H C 0.652 176.034 175.328 0.090 0.000 1.042 142 H CA -0.029 56.050 56.048 0.052 0.000 1.276 142 H CB 2.188 31.977 29.762 0.044 0.000 1.681 142 H HN 0.062 nan 8.280 nan 0.000 0.521 143 G N 0.545 109.450 108.800 0.176 0.000 2.451 143 G HA2 -0.053 3.899 3.960 -0.014 0.000 0.188 143 G HA3 -0.053 3.899 3.960 -0.014 0.000 0.188 143 G C 1.160 176.127 174.900 0.112 0.000 1.512 143 G CA 0.148 45.335 45.100 0.146 0.000 0.679 143 G HN 0.484 nan 8.290 nan 0.000 0.640 144 S N 0.945 116.693 115.700 0.080 0.000 2.368 144 S HA -0.088 4.374 4.470 -0.014 0.000 0.224 144 S C 1.367 176.010 174.600 0.071 0.000 1.029 144 S CA 0.933 59.170 58.200 0.060 0.000 0.988 144 S CB -0.241 62.983 63.200 0.039 0.000 0.838 144 S HN 0.398 nan 8.310 nan 0.000 0.462 145 N N 1.860 120.625 118.700 0.108 0.000 2.968 145 N HA 0.136 4.868 4.740 -0.014 0.000 0.271 145 N C 0.600 176.146 175.510 0.060 0.000 1.174 145 N CA -0.064 53.042 53.050 0.093 0.000 1.096 145 N CB 0.188 38.758 38.487 0.138 0.000 1.403 145 N HN -0.063 nan 8.380 nan 0.000 0.522 146 V N 1.494 121.428 119.914 0.033 0.000 2.392 146 V HA -0.198 3.914 4.120 -0.014 0.000 0.249 146 V C 2.043 178.117 176.094 -0.032 0.000 1.059 146 V CA 1.364 63.669 62.300 0.009 0.000 1.051 146 V CB -0.520 31.297 31.823 -0.010 0.000 0.658 146 V HN 0.549 nan 8.190 nan 0.000 0.455 147 Q N 0.415 120.191 119.800 -0.039 0.000 2.500 147 Q HA -0.016 4.315 4.340 -0.014 0.000 0.213 147 Q C 1.905 177.840 176.000 -0.108 0.000 0.974 147 Q CA 1.171 56.941 55.803 -0.054 0.000 0.918 147 Q CB -0.415 28.300 28.738 -0.039 0.000 0.980 147 Q HN 0.653 nan 8.270 nan 0.000 0.505 148 G N -1.256 107.422 108.800 -0.203 0.000 3.575 148 G HA2 0.252 4.204 3.960 -0.014 0.000 0.273 148 G HA3 0.252 4.204 3.960 -0.014 0.000 0.273 148 G C -0.031 174.487 174.900 -0.637 0.000 1.053 148 G CA -0.366 44.494 45.100 -0.401 0.000 0.803 148 G HN 0.160 nan 8.290 nan 0.000 0.528 149 L N 0.242 121.273 121.223 -0.320 0.000 2.499 149 L HA 0.124 4.456 4.340 -0.014 0.000 0.281 149 L C 1.282 178.089 176.870 -0.105 0.000 1.234 149 L CA 0.297 55.043 54.840 -0.157 0.000 0.839 149 L CB 0.708 42.765 42.059 -0.004 0.000 1.104 149 L HN 0.237 nan 8.230 nan 0.000 0.500 150 E N -0.244 119.949 120.200 -0.011 0.000 2.447 150 E HA 0.050 4.391 4.350 -0.014 0.000 0.204 150 E C -0.030 176.567 176.600 -0.005 0.000 0.977 150 E CA -0.055 56.345 56.400 -0.001 0.000 0.950 150 E CB 0.400 30.125 29.700 0.041 0.000 0.975 150 E HN 0.656 nan 8.360 nan 0.000 0.496 151 T N 2.538 117.094 114.554 0.005 0.000 2.908 151 T HA 0.062 4.403 4.350 -0.014 0.000 0.301 151 T C 0.309 174.968 174.700 -0.069 0.000 1.019 151 T CA 0.327 62.411 62.100 -0.027 0.000 1.152 151 T CB 0.636 69.504 68.868 0.000 0.000 0.966 151 T HN 0.150 nan 8.240 nan 0.000 0.540 152 T N -0.519 113.978 114.554 -0.096 0.000 2.888 152 T HA 0.736 5.078 4.350 -0.014 0.000 0.284 152 T C -0.589 173.978 174.700 -0.222 0.000 1.017 152 T CA -1.147 60.888 62.100 -0.108 0.000 1.022 152 T CB 1.849 70.699 68.868 -0.029 0.000 1.013 152 T HN 0.652 nan 8.240 nan 0.000 0.465 153 A N 2.226 124.887 122.820 -0.264 0.000 2.363 153 A HA 0.658 4.970 4.320 -0.014 0.000 0.296 153 A C -0.039 177.530 177.584 -0.025 0.000 1.237 153 A CA -0.783 51.008 52.037 -0.409 0.000 0.773 153 A CB 0.719 19.037 19.000 -1.138 0.000 1.153 153 A HN 0.839 nan 8.150 nan 0.000 0.473 154 T N 2.773 117.403 114.554 0.127 0.000 2.791 154 T HA 0.428 4.769 4.350 -0.014 0.000 0.288 154 T C -0.476 174.422 174.700 0.331 0.000 0.999 154 T CA -0.152 62.084 62.100 0.226 0.000 0.952 154 T CB 0.337 69.264 68.868 0.099 0.000 0.938 154 T HN 0.476 nan 8.240 nan 0.000 0.444 155 F N 3.321 123.442 119.950 0.285 0.000 2.471 155 F HA 0.308 4.826 4.527 -0.014 0.000 0.353 155 F C 0.495 176.266 175.800 -0.049 0.000 1.113 155 F CA -0.754 57.256 58.000 0.017 0.000 1.262 155 F CB 0.607 39.602 39.000 -0.009 0.000 1.146 155 F HN 0.392 nan 8.300 nan 0.000 0.578 156 D N 8.341 127.994 120.400 -1.244 0.000 2.479 156 D HA 0.244 4.876 4.640 -0.014 0.000 0.247 156 D C -1.793 173.860 176.300 -1.078 0.000 1.119 156 D CA -2.209 51.277 54.000 -0.856 0.000 0.922 156 D CB 1.257 41.770 40.800 -0.479 0.000 1.014 156 D HN 0.247 nan 8.370 nan 0.000 0.510 157 P HA -0.225 nan 4.420 nan 0.000 0.216 157 P C 1.147 178.351 177.300 -0.158 0.000 1.154 157 P CA 1.224 64.209 63.100 -0.192 0.000 0.865 157 P CB 0.456 32.199 31.700 0.071 0.000 0.789 158 Q N -1.328 118.375 119.800 -0.162 0.000 2.234 158 Q HA -0.100 4.232 4.340 -0.014 0.000 0.206 158 Q C 1.694 177.621 176.000 -0.122 0.000 0.980 158 Q CA 1.683 57.420 55.803 -0.111 0.000 0.869 158 Q CB -0.481 28.198 28.738 -0.098 0.000 0.912 158 Q HN 0.221 nan 8.270 nan 0.000 0.436 159 T N -1.299 113.137 114.554 -0.196 0.000 3.087 159 T HA 0.132 4.474 4.350 -0.014 0.000 0.283 159 T C -0.445 174.158 174.700 -0.162 0.000 0.956 159 T CA 0.661 62.666 62.100 -0.157 0.000 0.894 159 T CB 0.050 68.835 68.868 -0.137 0.000 1.160 159 T HN 0.443 nan 8.240 nan 0.000 0.532 160 D N 1.516 121.781 120.400 -0.224 0.000 2.735 160 D HA -0.167 4.465 4.640 -0.014 0.000 0.235 160 D C -0.115 176.104 176.300 -0.134 0.000 1.175 160 D CA 1.462 55.394 54.000 -0.113 0.000 0.683 160 D CB -2.030 38.795 40.800 0.043 0.000 1.008 160 D HN 0.697 nan 8.370 nan 0.000 0.416 161 E N -1.851 118.138 120.200 -0.352 0.000 2.367 161 E HA 0.737 5.079 4.350 -0.014 0.000 0.273 161 E C -0.660 175.721 176.600 -0.366 0.000 0.903 161 E CA -0.870 55.404 56.400 -0.209 0.000 0.764 161 E CB 1.729 31.356 29.700 -0.122 0.000 1.252 161 E HN 0.333 nan 8.360 nan 0.000 0.446 162 F N 0.684 120.682 119.950 0.079 0.000 2.379 162 F HA 0.307 4.826 4.527 -0.013 0.000 0.332 162 F C 0.120 175.872 175.800 -0.080 0.000 1.096 162 F CA -0.907 57.110 58.000 0.028 0.000 1.105 162 F CB 1.138 40.173 39.000 0.059 0.000 1.189 162 F HN 0.091 nan 8.300 nan 0.000 0.515 163 V N 5.100 125.067 119.914 0.088 0.000 2.348 163 V HA 0.209 4.321 4.120 -0.014 0.000 0.270 163 V C 0.101 176.133 176.094 -0.103 0.000 1.037 163 V CA -0.626 61.676 62.300 0.002 0.000 0.872 163 V CB 0.448 32.289 31.823 0.030 0.000 1.002 163 V HN 0.385 nan 8.190 nan 0.000 0.464 164 I N 4.928 125.358 120.570 -0.233 0.000 2.352 164 I HA 0.413 4.575 4.170 -0.014 0.000 0.290 164 I C -0.132 175.824 176.117 -0.268 0.000 1.036 164 I CA 0.107 61.138 61.300 -0.449 0.000 1.336 164 I CB 0.460 37.915 38.000 -0.909 0.000 1.407 164 I HN 0.708 nan 8.210 nan 0.000 0.497 165 H N 3.851 122.731 119.070 -0.315 0.000 2.717 165 H HA 0.479 5.027 4.556 -0.014 0.000 0.366 165 H C -0.914 174.349 175.328 -0.110 0.000 1.132 165 H CA -0.433 55.468 56.048 -0.244 0.000 1.180 165 H CB 1.721 31.240 29.762 -0.406 0.000 1.678 165 H HN 0.472 nan 8.280 nan 0.000 0.537 166 S N 7.085 122.398 115.700 -0.644 0.000 2.466 166 S HA 0.146 4.607 4.470 -0.014 0.000 0.313 166 S C -1.772 172.464 174.600 -0.607 0.000 1.078 166 S CA -1.073 56.891 58.200 -0.393 0.000 1.115 166 S CB 1.089 64.194 63.200 -0.158 0.000 1.006 166 S HN 0.667 nan 8.310 nan 0.000 0.487 167 P HA -0.037 nan 4.420 nan 0.000 0.221 167 P C 0.510 177.773 177.300 -0.063 0.000 1.150 167 P CA 0.926 63.958 63.100 -0.114 0.000 0.800 167 P CB -0.037 31.686 31.700 0.039 0.000 0.787 168 T N -4.536 109.978 114.554 -0.066 0.000 2.883 168 T HA 0.345 4.687 4.350 -0.014 0.000 0.296 168 T C 0.801 175.477 174.700 -0.039 0.000 1.117 168 T CA -0.845 61.237 62.100 -0.031 0.000 1.006 168 T CB 1.480 70.343 68.868 -0.009 0.000 1.191 168 T HN -0.152 nan 8.240 nan 0.000 0.508 169 L N 1.580 122.783 121.223 -0.033 0.000 2.010 169 L HA -0.137 4.194 4.340 -0.014 0.000 0.219 169 L C 2.670 179.512 176.870 -0.047 0.000 1.077 169 L CA 3.025 57.841 54.840 -0.040 0.000 0.773 169 L CB -0.912 41.120 42.059 -0.046 0.000 0.892 169 L HN 1.063 nan 8.230 nan 0.000 0.436 170 T N -3.978 110.545 114.554 -0.051 0.000 3.118 170 T HA -0.045 4.297 4.350 -0.014 0.000 0.260 170 T C 1.714 176.411 174.700 -0.005 0.000 1.139 170 T CA 0.775 62.837 62.100 -0.064 0.000 1.085 170 T CB -0.682 68.144 68.868 -0.070 0.000 0.934 170 T HN 0.573 nan 8.240 nan 0.000 0.518 171 S N 0.387 116.096 115.700 0.015 0.000 2.528 171 S HA 0.198 4.660 4.470 -0.014 0.000 0.219 171 S C 0.982 175.618 174.600 0.059 0.000 0.985 171 S CA -0.444 57.786 58.200 0.050 0.000 0.914 171 S CB -0.474 62.737 63.200 0.018 0.000 0.776 171 S HN 0.342 nan 8.310 nan 0.000 0.526 172 S N 3.100 118.823 115.700 0.039 0.000 2.642 172 S HA 0.069 4.531 4.470 -0.014 0.000 0.308 172 S C 0.354 175.039 174.600 0.142 0.000 1.255 172 S CA 0.081 58.323 58.200 0.071 0.000 1.057 172 S CB 0.130 63.381 63.200 0.086 0.000 0.785 172 S HN 0.355 nan 8.310 nan 0.000 0.500 173 K N 2.877 123.358 120.400 0.133 0.000 2.355 173 K HA 0.177 4.489 4.320 -0.014 0.000 0.270 173 K C -0.239 176.507 176.600 0.244 0.000 1.003 173 K CA 0.109 56.505 56.287 0.183 0.000 0.957 173 K CB 0.458 33.039 32.500 0.136 0.000 0.939 173 K HN 0.744 nan 8.250 nan 0.000 0.482 174 W N 2.962 124.275 121.300 0.021 0.000 3.615 174 W HA 0.111 4.763 4.660 -0.014 0.000 0.319 174 W C -0.887 175.634 176.519 0.003 0.000 1.172 174 W CA -0.589 56.696 57.345 -0.100 0.000 1.240 174 W CB 0.680 30.051 29.460 -0.147 0.000 1.313 174 W HN 0.842 nan 8.180 nan 0.000 0.487 175 W N 1.025 122.264 121.300 -0.102 0.000 0.424 175 W HA -0.189 4.463 4.660 -0.013 0.000 0.218 175 W C -2.023 174.525 176.519 0.049 0.000 0.926 175 W CA 0.199 57.550 57.345 0.010 0.000 0.332 175 W CB -2.016 27.539 29.460 0.158 0.000 1.921 175 W HN 0.155 nan 8.180 nan 0.000 1.016 176 P HA 0.278 nan 4.420 nan 0.000 0.266 176 P C 0.529 177.962 177.300 0.222 0.000 1.215 176 P CA 1.294 64.556 63.100 0.271 0.000 0.763 176 P CB 0.242 32.081 31.700 0.232 0.000 0.806 177 G N 2.383 111.339 108.800 0.259 0.000 2.442 177 G HA2 0.399 4.351 3.960 -0.014 0.000 0.249 177 G HA3 0.399 4.351 3.960 -0.014 0.000 0.249 177 G C 0.946 175.985 174.900 0.232 0.000 1.263 177 G CA 0.112 45.368 45.100 0.260 0.000 0.846 177 G HN 0.807 nan 8.290 nan 0.000 0.555 178 G N 0.687 109.626 108.800 0.233 0.000 2.176 178 G HA2 -0.214 3.738 3.960 -0.014 0.000 0.232 178 G HA3 -0.214 3.738 3.960 -0.014 0.000 0.232 178 G C 1.021 175.993 174.900 0.121 0.000 0.986 178 G CA 0.734 45.982 45.100 0.246 0.000 0.643 178 G HN 1.285 nan 8.290 nan 0.000 0.522 179 L N 1.145 122.417 121.223 0.081 0.000 2.316 179 L HA 0.554 4.886 4.340 -0.014 0.000 0.207 179 L C 2.587 179.430 176.870 -0.046 0.000 1.070 179 L CA 2.344 57.190 54.840 0.011 0.000 0.820 179 L CB -0.853 41.215 42.059 0.015 0.000 0.992 179 L HN 0.318 nan 8.230 nan 0.000 0.466 180 G N 0.341 109.105 108.800 -0.060 0.000 2.649 180 G HA2 -0.301 3.650 3.960 -0.014 0.000 0.220 180 G HA3 -0.301 3.650 3.960 -0.014 0.000 0.220 180 G C 1.538 176.367 174.900 -0.118 0.000 1.189 180 G CA 1.525 46.547 45.100 -0.129 0.000 0.777 180 G HN 0.376 nan 8.290 nan 0.000 0.602 181 K N -1.524 118.843 120.400 -0.055 0.000 2.556 181 K HA 0.237 4.548 4.320 -0.014 0.000 0.201 181 K C 2.433 179.119 176.600 0.144 0.000 1.423 181 K CA 0.479 56.768 56.287 0.003 0.000 1.010 181 K CB 0.101 32.563 32.500 -0.063 0.000 1.409 181 K HN 0.279 nan 8.250 nan 0.000 0.538 182 V N 1.666 121.626 119.914 0.077 0.000 2.331 182 V HA 0.022 4.134 4.120 -0.014 0.000 0.242 182 V C 1.147 177.221 176.094 -0.033 0.000 1.034 182 V CA 0.751 62.990 62.300 -0.102 0.000 1.027 182 V CB -0.309 31.172 31.823 -0.570 0.000 0.667 182 V HN 0.071 nan 8.190 nan 0.000 0.457 183 S N 0.936 116.608 115.700 -0.045 0.000 2.558 183 S HA 0.018 4.480 4.470 -0.014 0.000 0.293 183 S C 1.551 176.146 174.600 -0.009 0.000 1.292 183 S CA 0.644 58.821 58.200 -0.038 0.000 1.063 183 S CB 0.980 64.155 63.200 -0.041 0.000 0.831 183 S HN 0.787 nan 8.310 nan 0.000 0.499 184 T N 1.254 115.830 114.554 0.035 0.000 3.035 184 T HA 0.145 4.487 4.350 -0.014 0.000 0.259 184 T C 0.238 174.848 174.700 -0.151 0.000 1.078 184 T CA 0.612 62.718 62.100 0.010 0.000 1.132 184 T CB -0.090 68.893 68.868 0.192 0.000 0.900 184 T HN 0.660 nan 8.240 nan 0.000 0.480 185 H N 0.063 119.066 119.070 -0.112 0.000 2.985 185 H HA 0.829 5.377 4.556 -0.014 0.000 0.360 185 H C -0.798 174.462 175.328 -0.112 0.000 1.221 185 H CA -0.552 55.450 56.048 -0.077 0.000 1.121 185 H CB 1.863 31.608 29.762 -0.029 0.000 1.854 185 H HN 0.414 nan 8.280 nan 0.000 0.551 186 A N 0.725 123.635 122.820 0.150 0.000 2.498 186 A HA 0.603 4.915 4.320 -0.014 0.000 0.298 186 A C -1.179 176.523 177.584 0.196 0.000 1.075 186 A CA -0.711 51.434 52.037 0.179 0.000 0.714 186 A CB 1.232 20.308 19.000 0.127 0.000 1.299 186 A HN 0.421 nan 8.150 nan 0.000 0.407 187 V N 1.780 121.810 119.914 0.193 0.000 2.455 187 V HA 0.297 4.409 4.120 -0.014 0.000 0.273 187 V C -0.170 175.818 176.094 -0.176 0.000 1.045 187 V CA -0.133 62.104 62.300 -0.105 0.000 0.976 187 V CB 0.987 32.702 31.823 -0.180 0.000 0.993 187 V HN 0.557 nan 8.190 nan 0.000 0.475 188 V N 6.514 126.303 119.914 -0.209 0.000 2.347 188 V HA 0.346 4.458 4.120 -0.014 0.000 0.280 188 V C -0.469 175.452 176.094 -0.289 0.000 1.021 188 V CA -0.792 61.430 62.300 -0.129 0.000 0.847 188 V CB 0.924 32.717 31.823 -0.050 0.000 0.990 188 V HN 0.700 nan 8.190 nan 0.000 0.444 189 Y N 3.423 123.697 120.300 -0.043 0.000 2.442 189 Y HA 0.541 5.083 4.550 -0.013 0.000 0.330 189 Y C 0.663 176.581 175.900 0.031 0.000 1.129 189 Y CA 0.520 58.619 58.100 -0.000 0.000 1.365 189 Y CB 0.903 39.314 38.460 -0.082 0.000 1.233 189 Y HN 0.776 nan 8.280 nan 0.000 0.529 190 A N 3.538 126.457 122.820 0.165 0.000 2.610 190 A HA 0.698 5.010 4.320 -0.014 0.000 0.291 190 A C -1.148 176.487 177.584 0.085 0.000 1.086 190 A CA -1.318 50.736 52.037 0.029 0.000 0.677 190 A CB 1.306 20.168 19.000 -0.230 0.000 1.278 190 A HN 0.739 nan 8.150 nan 0.000 0.414 191 R N 0.497 121.005 120.500 0.014 0.000 2.267 191 R HA 0.362 4.693 4.340 -0.014 0.000 0.319 191 R C -0.686 175.641 176.300 0.045 0.000 1.067 191 R CA -0.593 55.529 56.100 0.036 0.000 0.936 191 R CB 0.676 30.977 30.300 0.001 0.000 1.006 191 R HN 0.522 nan 8.270 nan 0.000 0.452 192 L N 5.124 126.420 121.223 0.122 0.000 2.433 192 L HA 0.177 4.509 4.340 -0.014 0.000 0.275 192 L C -0.692 176.288 176.870 0.182 0.000 1.128 192 L CA 0.278 55.222 54.840 0.174 0.000 0.875 192 L CB 0.397 42.600 42.059 0.240 0.000 1.171 192 L HN 0.472 nan 8.230 nan 0.000 0.463 193 I N 5.251 125.938 120.570 0.195 0.000 2.354 193 I HA 0.450 4.612 4.170 -0.014 0.000 0.286 193 I C 0.182 176.488 176.117 0.315 0.000 1.007 193 I CA -0.198 61.221 61.300 0.198 0.000 1.167 193 I CB 0.659 38.730 38.000 0.118 0.000 1.320 193 I HN 0.648 nan 8.210 nan 0.000 0.458 194 T N 3.923 118.691 114.554 0.358 0.000 2.932 194 T HA 0.294 4.636 4.350 -0.014 0.000 0.318 194 T C -0.240 174.668 174.700 0.346 0.000 1.265 194 T CA -0.274 62.055 62.100 0.380 0.000 1.036 194 T CB 1.121 70.218 68.868 0.382 0.000 1.209 194 T HN 0.679 nan 8.240 nan 0.000 0.484 195 D N 2.197 122.757 120.400 0.266 0.000 2.772 195 D HA -0.150 4.482 4.640 -0.014 0.000 0.233 195 D C 0.857 177.246 176.300 0.148 0.000 1.143 195 D CA 2.465 56.588 54.000 0.204 0.000 0.700 195 D CB -1.360 39.582 40.800 0.236 0.000 1.076 195 D HN 1.612 nan 8.370 nan 0.000 0.430 196 G N -0.849 108.024 108.800 0.122 0.000 2.395 196 G HA2 0.097 4.049 3.960 -0.014 0.000 0.300 196 G HA3 0.097 4.049 3.960 -0.014 0.000 0.300 196 G C 0.266 175.175 174.900 0.015 0.000 0.998 196 G CA 1.694 46.832 45.100 0.063 0.000 1.046 196 G HN 1.197 nan 8.290 nan 0.000 0.513 197 K N -0.502 119.894 120.400 -0.006 0.000 2.551 197 K HA 0.707 5.019 4.320 -0.014 0.000 0.269 197 K C -0.939 175.501 176.600 -0.267 0.000 0.949 197 K CA -0.262 55.909 56.287 -0.193 0.000 0.849 197 K CB 1.466 33.756 32.500 -0.349 0.000 1.411 197 K HN 0.236 nan 8.250 nan 0.000 0.432 198 D N 1.261 121.456 120.400 -0.342 0.000 2.412 198 D HA 0.316 4.947 4.640 -0.014 0.000 0.224 198 D C -0.630 175.436 176.300 -0.389 0.000 1.093 198 D CA -0.016 53.841 54.000 -0.238 0.000 0.850 198 D CB 0.660 41.374 40.800 -0.143 0.000 1.046 198 D HN 0.545 nan 8.370 nan 0.000 0.507 199 Y N 2.079 122.268 120.300 -0.185 0.000 2.493 199 Y HA 0.274 4.816 4.550 -0.014 0.000 0.275 199 Y C 1.602 177.359 175.900 -0.239 0.000 1.183 199 Y CA 0.370 58.250 58.100 -0.367 0.000 1.258 199 Y CB 0.444 38.414 38.460 -0.817 0.000 1.108 199 Y HN 0.650 nan 8.280 nan 0.000 0.521 200 G N -0.023 108.760 108.800 -0.029 0.000 2.760 200 G HA2 -0.218 3.734 3.960 -0.014 0.000 0.246 200 G HA3 -0.218 3.734 3.960 -0.014 0.000 0.246 200 G C -0.837 174.097 174.900 0.056 0.000 1.359 200 G CA -0.807 44.294 45.100 0.001 0.000 0.861 200 G HN -0.028 nan 8.290 nan 0.000 0.541 201 V N 2.472 122.424 119.914 0.063 0.000 2.572 201 V HA 0.357 4.469 4.120 -0.014 0.000 0.291 201 V C 0.812 177.003 176.094 0.162 0.000 1.039 201 V CA 0.215 62.587 62.300 0.120 0.000 1.055 201 V CB 0.854 32.740 31.823 0.105 0.000 0.969 201 V HN 0.723 nan 8.190 nan 0.000 0.482 202 N N 2.233 121.051 118.700 0.197 0.000 2.697 202 N HA 0.543 5.275 4.740 -0.014 0.000 0.272 202 N C -0.310 175.079 175.510 -0.202 0.000 1.381 202 N CA -0.502 52.560 53.050 0.021 0.000 0.797 202 N CB 2.445 40.790 38.487 -0.238 0.000 1.523 202 N HN 0.706 nan 8.380 nan 0.000 0.518 203 G N 0.378 108.805 108.800 -0.622 0.000 2.343 203 G HA2 0.641 4.593 3.960 -0.014 0.000 0.319 203 G HA3 0.641 4.593 3.960 -0.014 0.000 0.319 203 G C -1.324 172.980 174.900 -0.994 0.000 1.126 203 G CA -0.154 44.321 45.100 -1.042 0.000 0.889 203 G HN 0.259 nan 8.290 nan 0.000 0.457 204 F N 1.095 120.712 119.950 -0.555 0.000 2.529 204 F HA 0.430 4.949 4.527 -0.014 0.000 0.320 204 F C 0.358 175.954 175.800 -0.340 0.000 1.118 204 F CA -1.021 56.746 58.000 -0.388 0.000 0.915 204 F CB 2.199 40.987 39.000 -0.354 0.000 1.161 204 F HN 0.232 nan 8.300 nan 0.000 0.445 205 I N 4.374 124.836 120.570 -0.180 0.000 2.329 205 I HA 0.227 4.388 4.170 -0.014 0.000 0.295 205 I C -0.743 175.312 176.117 -0.103 0.000 1.109 205 I CA -0.327 60.816 61.300 -0.262 0.000 1.297 205 I CB 0.059 37.658 38.000 -0.668 0.000 1.433 205 I HN 0.201 nan 8.210 nan 0.000 0.509 206 V N 6.382 126.291 119.914 -0.008 0.000 2.384 206 V HA 0.199 4.311 4.120 -0.014 0.000 0.287 206 V C 0.280 176.404 176.094 0.051 0.000 1.020 206 V CA -0.710 61.616 62.300 0.044 0.000 0.850 206 V CB 1.436 33.289 31.823 0.051 0.000 0.987 206 V HN 0.678 nan 8.190 nan 0.000 0.436 207 Q N 3.050 122.854 119.800 0.007 0.000 2.289 207 Q HA 0.243 4.575 4.340 -0.014 0.000 0.273 207 Q C 0.315 176.213 176.000 -0.170 0.000 1.029 207 Q CA 0.073 55.701 55.803 -0.291 0.000 0.896 207 Q CB 0.828 29.445 28.738 -0.202 0.000 1.182 207 Q HN 0.755 nan 8.270 nan 0.000 0.385 208 L N 3.128 124.207 121.223 -0.241 0.000 2.316 208 L HA 0.229 4.561 4.340 -0.014 0.000 0.207 208 L C 0.512 177.269 176.870 -0.188 0.000 1.070 208 L CA 0.512 55.262 54.840 -0.151 0.000 0.820 208 L CB 0.224 42.192 42.059 -0.152 0.000 0.992 208 L HN 0.502 nan 8.230 nan 0.000 0.466 209 R N -0.466 119.890 120.500 -0.241 0.000 2.744 209 R HA 0.320 4.652 4.340 -0.014 0.000 0.279 209 R C -0.366 175.849 176.300 -0.142 0.000 0.977 209 R CA -0.545 55.417 56.100 -0.230 0.000 0.906 209 R CB 2.120 32.166 30.300 -0.423 0.000 1.197 209 R HN -0.114 nan 8.270 nan 0.000 0.463 210 S N 1.369 117.020 115.700 -0.083 0.000 2.573 210 S HA -0.029 4.433 4.470 -0.014 0.000 0.297 210 S C 1.131 175.750 174.600 0.031 0.000 1.280 210 S CA -0.178 58.012 58.200 -0.017 0.000 1.061 210 S CB 0.332 63.530 63.200 -0.003 0.000 0.812 210 S HN 0.580 nan 8.310 nan 0.000 0.500 211 L N 3.594 124.853 121.223 0.059 0.000 2.478 211 L HA 0.082 4.414 4.340 -0.014 0.000 0.223 211 L C 2.441 179.358 176.870 0.078 0.000 1.140 211 L CA 0.573 55.469 54.840 0.093 0.000 0.842 211 L CB -0.225 41.901 42.059 0.111 0.000 0.953 211 L HN 0.678 nan 8.230 nan 0.000 0.452 212 E N 0.377 120.613 120.200 0.060 0.000 2.102 212 E HA -0.121 4.221 4.350 -0.014 0.000 0.190 212 E C 0.766 177.398 176.600 0.053 0.000 0.971 212 E CA 1.381 57.810 56.400 0.049 0.000 0.821 212 E CB 0.232 29.953 29.700 0.036 0.000 0.777 212 E HN 0.619 nan 8.360 nan 0.000 0.460 213 D N -3.123 117.314 120.400 0.061 0.000 2.525 213 D HA 0.022 4.654 4.640 -0.014 0.000 0.231 213 D C 0.404 176.778 176.300 0.123 0.000 1.216 213 D CA -0.087 53.954 54.000 0.069 0.000 0.813 213 D CB -0.131 40.693 40.800 0.040 0.000 1.108 213 D HN 0.072 nan 8.370 nan 0.000 0.524 214 H N -0.785 118.274 119.070 -0.019 0.000 3.641 214 H HA -0.192 4.356 4.556 -0.014 0.000 0.193 214 H C 0.430 175.734 175.328 -0.039 0.000 1.013 214 H CA 1.271 57.299 56.048 -0.033 0.000 1.212 214 H CB -1.808 27.932 29.762 -0.036 0.000 1.089 214 H HN 0.491 nan 8.280 nan 0.000 0.339 215 K N 1.167 121.547 120.400 -0.034 0.000 2.448 215 K HA 0.374 4.686 4.320 -0.014 0.000 0.278 215 K C -2.391 174.131 176.600 -0.129 0.000 1.009 215 K CA -0.423 55.818 56.287 -0.076 0.000 0.995 215 K CB -0.485 31.995 32.500 -0.033 0.000 0.917 215 K HN 0.311 nan 8.250 nan 0.000 0.481 216 P HA 0.076 nan 4.420 nan 0.000 0.264 216 P C -0.063 177.184 177.300 -0.089 0.000 1.193 216 P CA -0.303 62.712 63.100 -0.141 0.000 0.763 216 P CB 0.270 31.890 31.700 -0.134 0.000 0.810 217 L N 5.238 126.414 121.223 -0.078 0.000 2.492 217 L HA 0.075 4.407 4.340 -0.014 0.000 0.280 217 L C -1.658 175.203 176.870 -0.014 0.000 1.240 217 L CA -1.589 53.231 54.840 -0.033 0.000 0.831 217 L CB -0.805 41.246 42.059 -0.013 0.000 1.100 217 L HN 0.234 nan 8.230 nan 0.000 0.505 218 P HA -0.023 nan 4.420 nan 0.000 0.263 218 P C 0.730 178.054 177.300 0.041 0.000 1.175 218 P CA 1.041 64.151 63.100 0.017 0.000 0.761 218 P CB 0.506 32.219 31.700 0.022 0.000 0.794 219 G N 0.864 109.689 108.800 0.041 0.000 2.179 219 G HA2 -0.220 3.732 3.960 -0.014 0.000 0.260 219 G HA3 -0.220 3.732 3.960 -0.014 0.000 0.260 219 G C 0.069 175.000 174.900 0.051 0.000 0.977 219 G CA -0.005 45.141 45.100 0.076 0.000 0.641 219 G HN 0.558 nan 8.290 nan 0.000 0.533 220 V N 1.164 121.071 119.914 -0.012 0.000 2.472 220 V HA 0.690 4.802 4.120 -0.014 0.000 0.290 220 V C 0.336 176.336 176.094 -0.157 0.000 1.037 220 V CA 0.065 62.287 62.300 -0.130 0.000 0.908 220 V CB 1.836 33.579 31.823 -0.134 0.000 0.985 220 V HN 0.239 nan 8.190 nan 0.000 0.454 221 T N 4.637 119.058 114.554 -0.223 0.000 2.809 221 T HA 0.669 5.011 4.350 -0.014 0.000 0.284 221 T C -0.678 173.890 174.700 -0.219 0.000 0.992 221 T CA -0.355 61.639 62.100 -0.176 0.000 0.957 221 T CB 1.264 70.053 68.868 -0.131 0.000 0.942 221 T HN 0.493 nan 8.240 nan 0.000 0.439 222 V N 1.187 120.988 119.914 -0.188 0.000 2.760 222 V HA 1.040 5.152 4.120 -0.014 0.000 0.309 222 V C 0.247 176.238 176.094 -0.173 0.000 1.077 222 V CA -0.732 61.450 62.300 -0.197 0.000 0.910 222 V CB 1.687 33.390 31.823 -0.200 0.000 1.008 222 V HN 1.056 nan 8.190 nan 0.000 0.424 223 G N 1.698 110.384 108.800 -0.190 0.000 2.634 223 G HA2 0.562 4.514 3.960 -0.014 0.000 0.309 223 G HA3 0.562 4.514 3.960 -0.014 0.000 0.309 223 G C -2.147 172.602 174.900 -0.251 0.000 1.299 223 G CA -0.498 44.484 45.100 -0.196 0.000 0.798 223 G HN 0.737 nan 8.290 nan 0.000 0.490 224 D N -1.019 119.224 120.400 -0.262 0.000 2.253 224 D HA 0.460 5.092 4.640 -0.014 0.000 0.249 224 D C 1.798 177.864 176.300 -0.390 0.000 1.049 224 D CA -0.426 53.389 54.000 -0.308 0.000 0.929 224 D CB 1.276 41.911 40.800 -0.275 0.000 1.176 224 D HN 0.394 nan 8.370 nan 0.000 0.437 225 I N -0.643 119.616 120.570 -0.519 0.000 3.228 225 I HA 0.481 4.643 4.170 -0.014 0.000 0.279 225 I C 0.875 176.764 176.117 -0.381 0.000 1.221 225 I CA 0.059 60.925 61.300 -0.722 0.000 1.458 225 I CB -0.181 37.013 38.000 -1.343 0.000 1.105 225 I HN 0.450 nan 8.210 nan 0.000 0.445 226 G N 1.395 110.047 108.800 -0.247 0.000 2.353 226 G HA2 0.083 4.034 3.960 -0.014 0.000 0.424 226 G HA3 0.083 4.034 3.960 -0.014 0.000 0.424 226 G C -0.877 173.997 174.900 -0.043 0.000 1.320 226 G CA -0.823 44.209 45.100 -0.114 0.000 0.995 226 G HN 0.075 nan 8.290 nan 0.000 0.580 227 M N 0.313 119.920 119.600 0.011 0.000 2.243 227 M HA 0.352 4.824 4.480 -0.014 0.000 0.341 227 M C 0.303 176.670 176.300 0.112 0.000 1.130 227 M CA 0.254 55.592 55.300 0.063 0.000 1.162 227 M CB 0.954 33.596 32.600 0.070 0.000 1.497 227 M HN 0.495 nan 8.290 nan 0.000 0.456 228 K N 1.240 121.742 120.400 0.169 0.000 2.280 228 K HA 0.455 4.767 4.320 -0.014 0.000 0.234 228 K C -0.656 176.115 176.600 0.285 0.000 1.028 228 K CA -0.661 55.770 56.287 0.241 0.000 0.882 228 K CB 0.802 33.473 32.500 0.286 0.000 1.194 228 K HN 0.498 nan 8.250 nan 0.000 0.458 229 F N 1.727 121.740 119.950 0.104 0.000 2.623 229 F HA 0.137 4.656 4.527 -0.014 0.000 0.386 229 F C 0.887 176.743 175.800 0.094 0.000 1.068 229 F CA 1.245 59.298 58.000 0.088 0.000 1.265 229 F CB -0.031 39.004 39.000 0.058 0.000 1.026 229 F HN 0.702 nan 8.300 nan 0.000 0.568 230 G N 4.660 113.590 108.800 0.217 0.000 2.705 230 G HA2 -0.230 3.721 3.960 -0.014 0.000 0.686 230 G HA3 -0.230 3.721 3.960 -0.014 0.000 0.686 230 G C -1.317 173.606 174.900 0.039 0.000 1.285 230 G CA -0.958 44.117 45.100 -0.041 0.000 0.800 230 G HN 0.837 nan 8.290 nan 0.000 0.611 231 N N 1.446 120.150 118.700 0.006 0.000 2.483 231 N HA 0.449 5.181 4.740 -0.014 0.000 0.264 231 N C 1.485 177.002 175.510 0.012 0.000 1.197 231 N CA 1.445 54.503 53.050 0.014 0.000 0.927 231 N CB 1.106 39.588 38.487 -0.009 0.000 1.065 231 N HN 2.061 nan 8.380 nan 0.000 0.461 232 G N 2.029 110.850 108.800 0.035 0.000 2.620 232 G HA2 -0.215 3.737 3.960 -0.014 0.000 0.315 232 G HA3 -0.215 3.737 3.960 -0.014 0.000 0.315 232 G C 0.536 175.467 174.900 0.052 0.000 1.179 232 G CA 1.662 46.784 45.100 0.037 0.000 0.971 232 G HN 1.368 nan 8.290 nan 0.000 0.544 233 A N -2.316 120.517 122.820 0.023 0.000 5.308 233 A HA -0.284 4.028 4.320 -0.014 0.000 0.321 233 A C 1.361 178.989 177.584 0.073 0.000 1.849 233 A CA 2.973 55.037 52.037 0.046 0.000 0.713 233 A CB -1.449 17.591 19.000 0.067 0.000 1.360 233 A HN 2.095 nan 8.150 nan 0.000 0.384 234 Y N 1.831 122.168 120.300 0.061 0.000 2.490 234 Y HA 0.086 4.628 4.550 -0.014 0.000 0.281 234 Y C 2.140 178.119 175.900 0.130 0.000 1.174 234 Y CA 0.948 59.112 58.100 0.106 0.000 1.295 234 Y CB 0.090 38.627 38.460 0.129 0.000 1.062 234 Y HN 0.525 nan 8.280 nan 0.000 0.522 235 N N -0.602 118.236 118.700 0.229 0.000 2.519 235 N HA -0.135 4.597 4.740 -0.014 0.000 0.186 235 N C 1.723 177.352 175.510 0.198 0.000 1.062 235 N CA 1.380 54.541 53.050 0.185 0.000 0.910 235 N CB -0.167 38.402 38.487 0.138 0.000 0.958 235 N HN 0.364 nan 8.380 nan 0.000 0.445 236 S N -0.557 115.253 115.700 0.183 0.000 2.558 236 S HA 0.103 4.565 4.470 -0.014 0.000 0.217 236 S C 0.723 175.502 174.600 0.299 0.000 0.975 236 S CA -0.235 58.102 58.200 0.229 0.000 0.912 236 S CB 0.038 63.299 63.200 0.103 0.000 0.776 236 S HN 0.133 nan 8.310 nan 0.000 0.526 237 M N 4.035 123.792 119.600 0.263 0.000 2.209 237 M HA 0.289 4.761 4.480 -0.014 0.000 0.355 237 M C -1.173 175.318 176.300 0.319 0.000 1.171 237 M CA -0.662 54.823 55.300 0.308 0.000 1.069 237 M CB 1.196 33.970 32.600 0.289 0.000 1.622 237 M HN 0.147 nan 8.290 nan 0.000 0.459 238 D N 3.326 123.932 120.400 0.343 0.000 2.619 238 D HA 0.117 4.748 4.640 -0.014 0.000 0.224 238 D C -1.024 175.321 176.300 0.074 0.000 1.133 238 D CA -0.178 53.897 54.000 0.125 0.000 1.017 238 D CB -0.952 39.882 40.800 0.057 0.000 1.077 238 D HN 0.591 nan 8.370 nan 0.000 0.503 239 N N 0.387 119.126 118.700 0.065 0.000 2.483 239 N HA 0.403 5.135 4.740 -0.014 0.000 0.264 239 N C 0.442 175.825 175.510 -0.211 0.000 1.197 239 N CA 0.106 53.167 53.050 0.018 0.000 0.927 239 N CB 1.156 39.700 38.487 0.096 0.000 1.065 239 N HN 0.472 nan 8.380 nan 0.000 0.461 240 G N 0.079 108.761 108.800 -0.197 0.000 2.454 240 G HA2 0.533 4.485 3.960 -0.014 0.000 0.329 240 G HA3 0.533 4.485 3.960 -0.014 0.000 0.329 240 G C -1.130 173.530 174.900 -0.399 0.000 1.177 240 G CA -0.520 44.413 45.100 -0.279 0.000 0.951 240 G HN 0.459 nan 8.290 nan 0.000 0.485 241 V N 1.671 121.344 119.914 -0.402 0.000 2.581 241 V HA 0.854 4.966 4.120 -0.014 0.000 0.303 241 V C -1.127 174.863 176.094 -0.172 0.000 1.041 241 V CA -0.816 61.319 62.300 -0.275 0.000 0.907 241 V CB 1.450 33.099 31.823 -0.289 0.000 0.994 241 V HN 0.842 nan 8.190 nan 0.000 0.442 242 L N 5.655 126.807 121.223 -0.117 0.000 2.493 242 L HA 0.960 5.292 4.340 -0.014 0.000 0.265 242 L C -0.447 176.270 176.870 -0.256 0.000 0.954 242 L CA 0.568 55.266 54.840 -0.236 0.000 0.844 242 L CB 1.572 43.470 42.059 -0.268 0.000 1.302 242 L HN 1.001 nan 8.230 nan 0.000 0.405 243 S N 3.279 118.762 115.700 -0.361 0.000 2.548 243 S HA 0.882 5.344 4.470 -0.014 0.000 0.286 243 S C -1.128 173.214 174.600 -0.430 0.000 1.098 243 S CA -0.436 57.605 58.200 -0.266 0.000 0.930 243 S CB 0.895 64.018 63.200 -0.129 0.000 1.070 243 S HN 0.437 nan 8.310 nan 0.000 0.480 244 F N 1.213 121.094 119.950 -0.114 0.000 2.532 244 F HA 0.486 5.004 4.527 -0.014 0.000 0.321 244 F C -0.240 175.502 175.800 -0.097 0.000 1.089 244 F CA -0.526 57.418 58.000 -0.093 0.000 0.926 244 F CB 2.282 41.221 39.000 -0.102 0.000 1.168 244 F HN 0.513 nan 8.300 nan 0.000 0.459 245 D N 1.971 122.507 120.400 0.227 0.000 2.458 245 D HA 0.231 4.863 4.640 -0.014 0.000 0.258 245 D C -0.683 175.833 176.300 0.360 0.000 1.134 245 D CA -0.483 53.693 54.000 0.293 0.000 0.915 245 D CB -0.415 40.522 40.800 0.229 0.000 1.028 245 D HN 0.601 nan 8.370 nan 0.000 0.508 246 H N 0.251 119.534 119.070 0.356 0.000 2.680 246 H HA -0.156 4.392 4.556 -0.014 0.000 0.328 246 H C -0.281 175.094 175.328 0.079 0.000 1.139 246 H CA 0.294 56.413 56.048 0.118 0.000 1.124 246 H CB -1.411 28.346 29.762 -0.009 0.000 1.584 246 H HN 0.073 nan 8.280 nan 0.000 0.410 247 V N 1.168 121.163 119.914 0.134 0.000 2.546 247 V HA 0.250 4.361 4.120 -0.014 0.000 0.284 247 V C 1.029 177.139 176.094 0.026 0.000 1.050 247 V CA -0.202 62.161 62.300 0.106 0.000 0.981 247 V CB 1.543 33.475 31.823 0.183 0.000 0.990 247 V HN 0.423 nan 8.190 nan 0.000 0.474 248 R N 3.536 124.064 120.500 0.046 0.000 2.393 248 R HA 0.656 4.988 4.340 -0.014 0.000 0.310 248 R C -1.223 175.106 176.300 0.049 0.000 0.968 248 R CA -0.608 55.512 56.100 0.033 0.000 0.867 248 R CB 1.502 31.816 30.300 0.024 0.000 1.124 248 R HN 0.493 nan 8.270 nan 0.000 0.450 249 I N 4.566 125.179 120.570 0.071 0.000 2.730 249 I HA 0.412 4.574 4.170 -0.014 0.000 0.298 249 I C -2.360 173.852 176.117 0.158 0.000 1.089 249 I CA -2.815 58.559 61.300 0.124 0.000 1.041 249 I CB 2.280 40.350 38.000 0.118 0.000 1.235 249 I HN 0.447 nan 8.210 nan 0.000 0.423 250 P HA 0.304 nan 4.420 nan 0.000 0.274 250 P C 0.442 177.894 177.300 0.253 0.000 1.237 250 P CA -0.435 62.764 63.100 0.164 0.000 0.793 250 P CB 0.771 32.567 31.700 0.160 0.000 0.977 251 R N 1.980 122.600 120.500 0.200 0.000 2.091 251 R HA -0.181 4.151 4.340 -0.014 0.000 0.238 251 R C 1.040 177.525 176.300 0.308 0.000 1.136 251 R CA 2.142 58.404 56.100 0.269 0.000 0.959 251 R CB -0.668 29.714 30.300 0.136 0.000 0.856 251 R HN 0.567 nan 8.270 nan 0.000 0.437 252 D N -0.373 120.147 120.400 0.201 0.000 2.390 252 D HA -0.137 4.495 4.640 -0.014 0.000 0.235 252 D C 1.111 177.526 176.300 0.192 0.000 1.040 252 D CA 0.672 54.772 54.000 0.165 0.000 0.923 252 D CB -0.063 40.813 40.800 0.127 0.000 0.886 252 D HN 0.360 nan 8.370 nan 0.000 0.532 253 Q N -0.878 119.056 119.800 0.224 0.000 2.408 253 Q HA 0.171 4.503 4.340 -0.014 0.000 0.205 253 Q C 0.726 176.742 176.000 0.026 0.000 0.919 253 Q CA -0.280 55.613 55.803 0.149 0.000 0.932 253 Q CB 0.264 29.121 28.738 0.198 0.000 1.058 253 Q HN 0.381 nan 8.270 nan 0.000 0.517 254 M N 1.532 121.173 119.600 0.068 0.000 2.228 254 M HA 0.118 4.589 4.480 -0.014 0.000 0.351 254 M C -0.947 175.171 176.300 -0.304 0.000 1.233 254 M CA -0.069 55.039 55.300 -0.320 0.000 1.129 254 M CB 0.519 32.933 32.600 -0.311 0.000 1.604 254 M HN 0.027 nan 8.290 nan 0.000 0.457 255 L N 7.184 128.135 121.223 -0.453 0.000 2.456 255 L HA 0.092 4.424 4.340 -0.014 0.000 0.277 255 L C 0.570 177.290 176.870 -0.250 0.000 1.124 255 L CA 0.179 54.836 54.840 -0.305 0.000 0.880 255 L CB 0.141 42.016 42.059 -0.307 0.000 1.192 255 L HN 0.858 nan 8.230 nan 0.000 0.463 256 M N 2.246 121.745 119.600 -0.168 0.000 2.484 256 M HA 0.104 4.576 4.480 -0.014 0.000 0.307 256 M C 1.538 177.761 176.300 -0.129 0.000 1.149 256 M CA -0.111 55.097 55.300 -0.152 0.000 0.972 256 M CB 0.272 32.803 32.600 -0.116 0.000 1.400 256 M HN 0.557 nan 8.290 nan 0.000 0.508 257 R N 1.353 121.785 120.500 -0.112 0.000 2.097 257 R HA -0.115 4.217 4.340 -0.014 0.000 0.236 257 R C 1.651 177.897 176.300 -0.091 0.000 1.135 257 R CA 2.112 58.160 56.100 -0.087 0.000 0.934 257 R CB -0.494 29.765 30.300 -0.070 0.000 0.846 257 R HN 0.220 nan 8.270 nan 0.000 0.431 258 V N -0.491 119.365 119.914 -0.096 0.000 2.374 258 V HA 0.046 4.157 4.120 -0.014 0.000 0.241 258 V C 0.590 176.592 176.094 -0.153 0.000 1.034 258 V CA 1.390 63.635 62.300 -0.093 0.000 1.037 258 V CB 0.043 31.830 31.823 -0.060 0.000 0.682 258 V HN 0.523 nan 8.190 nan 0.000 0.463 259 S N 1.598 117.183 115.700 -0.193 0.000 2.513 259 S HA 0.749 5.211 4.470 -0.014 0.000 0.299 259 S C -0.803 173.580 174.600 -0.361 0.000 1.087 259 S CA -0.792 57.182 58.200 -0.377 0.000 1.012 259 S CB 2.136 65.136 63.200 -0.334 0.000 1.044 259 S HN 0.498 nan 8.310 nan 0.000 0.485 260 Q N 0.593 120.117 119.800 -0.460 0.000 2.587 260 Q HA 0.804 5.135 4.340 -0.014 0.000 0.293 260 Q C -1.643 174.170 176.000 -0.311 0.000 1.083 260 Q CA -1.151 54.471 55.803 -0.301 0.000 0.792 260 Q CB 1.733 30.349 28.738 -0.204 0.000 1.484 260 Q HN 0.507 nan 8.270 nan 0.000 0.446 261 V N 1.244 121.047 119.914 -0.185 0.000 2.577 261 V HA 0.362 4.474 4.120 -0.014 0.000 0.303 261 V C 0.167 176.104 176.094 -0.263 0.000 1.042 261 V CA -0.525 61.640 62.300 -0.225 0.000 0.872 261 V CB 1.610 33.339 31.823 -0.157 0.000 0.998 261 V HN 1.013 nan 8.190 nan 0.000 0.423 262 T N 1.204 115.602 114.554 -0.259 0.000 2.726 262 T HA 0.393 4.735 4.350 -0.014 0.000 0.294 262 T C 1.575 176.145 174.700 -0.217 0.000 1.013 262 T CA 0.223 62.210 62.100 -0.189 0.000 0.996 262 T CB 0.798 69.590 68.868 -0.125 0.000 1.016 262 T HN 0.910 nan 8.240 nan 0.000 0.529 263 K N -0.307 120.043 120.400 -0.084 0.000 2.228 263 K HA -0.020 4.292 4.320 -0.014 0.000 0.205 263 K C 2.120 178.776 176.600 0.093 0.000 1.045 263 K CA 2.383 58.679 56.287 0.015 0.000 0.931 263 K CB -1.840 30.674 32.500 0.024 0.000 0.727 263 K HN 1.004 nan 8.250 nan 0.000 0.458 264 E N -0.717 119.496 120.200 0.023 0.000 2.498 264 E HA 0.463 4.805 4.350 -0.014 0.000 0.203 264 E C 1.327 177.997 176.600 0.116 0.000 1.013 264 E CA 1.039 57.495 56.400 0.093 0.000 0.927 264 E CB -0.727 28.998 29.700 0.042 0.000 1.012 264 E HN 1.594 nan 8.360 nan 0.000 0.482 265 G N -0.950 107.796 108.800 -0.090 0.000 2.545 265 G HA2 0.408 4.360 3.960 -0.014 0.000 0.216 265 G HA3 0.408 4.360 3.960 -0.014 0.000 0.216 265 G C 0.603 175.410 174.900 -0.155 0.000 1.314 265 G CA 0.929 45.911 45.100 -0.197 0.000 0.906 265 G HN 1.888 nan 8.290 nan 0.000 0.563 266 K N -2.511 117.862 120.400 -0.046 0.000 6.265 266 K HA 0.243 4.555 4.320 -0.014 0.000 0.828 266 K C -0.144 176.388 176.600 -0.114 0.000 2.300 266 K CA 1.216 57.483 56.287 -0.033 0.000 1.674 266 K CB -1.673 30.817 32.500 -0.017 0.000 2.471 266 K HN 2.267 nan 8.250 nan 0.000 0.229 267 Y N 1.423 121.487 120.300 -0.393 0.000 2.425 267 Y HA 0.542 5.084 4.550 -0.014 0.000 0.331 267 Y C 0.848 176.585 175.900 -0.272 0.000 1.157 267 Y CA 0.301 58.089 58.100 -0.520 0.000 1.372 267 Y CB 1.289 39.069 38.460 -1.133 0.000 1.253 267 Y HN 0.740 nan 8.280 nan 0.000 0.536 268 V N 5.269 124.872 119.914 -0.517 0.000 3.078 268 V HA 0.425 4.537 4.120 -0.014 0.000 0.311 268 V C -1.064 174.754 176.094 -0.461 0.000 1.138 268 V CA -1.085 61.010 62.300 -0.342 0.000 1.007 268 V CB 2.349 34.035 31.823 -0.230 0.000 1.045 268 V HN 0.628 nan 8.190 nan 0.000 0.432 269 Q N 1.286 120.930 119.800 -0.259 0.000 2.323 269 Q HA 0.525 4.856 4.340 -0.014 0.000 0.271 269 Q C -0.571 175.350 176.000 -0.133 0.000 1.048 269 Q CA -0.461 55.215 55.803 -0.211 0.000 0.792 269 Q CB 2.591 31.258 28.738 -0.119 0.000 1.280 269 Q HN 0.947 nan 8.270 nan 0.000 0.441 270 S N 0.577 116.204 115.700 -0.122 0.000 2.661 270 S HA 0.391 4.853 4.470 -0.014 0.000 0.265 270 S C 0.793 175.363 174.600 -0.050 0.000 1.225 270 S CA 0.013 58.164 58.200 -0.081 0.000 0.986 270 S CB 0.362 63.514 63.200 -0.079 0.000 1.008 270 S HN 0.714 nan 8.310 nan 0.000 0.565 271 D N 0.299 120.679 120.400 -0.033 0.000 1.711 271 D HA 0.263 4.895 4.640 -0.014 0.000 0.300 271 D C 1.634 177.930 176.300 -0.007 0.000 1.097 271 D CA 1.266 55.258 54.000 -0.013 0.000 0.964 271 D CB -1.689 39.105 40.800 -0.009 0.000 1.518 271 D HN 1.973 nan 8.370 nan 0.000 0.541 272 I N 0.104 120.673 120.570 -0.001 0.000 2.756 272 I HA 0.127 4.289 4.170 -0.014 0.000 0.126 272 I C -1.638 174.484 176.117 0.008 0.000 0.885 272 I CA 0.480 61.783 61.300 0.004 0.000 2.786 272 I CB -2.677 35.315 38.000 -0.013 0.000 0.579 272 I HN 0.438 nan 8.210 nan 0.000 0.352 273 P HA 0.240 nan 4.420 nan 0.000 0.260 273 P C 1.439 178.726 177.300 -0.021 0.000 1.147 273 P CA 1.146 64.260 63.100 0.022 0.000 0.758 273 P CB 0.249 32.021 31.700 0.119 0.000 0.744 274 R N 3.578 124.046 120.500 -0.053 0.000 2.276 274 R HA -0.253 4.079 4.340 -0.014 0.000 0.243 274 R C 1.867 178.113 176.300 -0.090 0.000 1.161 274 R CA 2.077 58.141 56.100 -0.060 0.000 1.007 274 R CB -1.641 28.627 30.300 -0.052 0.000 0.867 274 R HN 0.584 nan 8.270 nan 0.000 0.472 275 Q N -0.526 119.174 119.800 -0.166 0.000 2.297 275 Q HA 0.161 4.493 4.340 -0.014 0.000 0.204 275 Q C 2.802 178.777 176.000 -0.041 0.000 0.962 275 Q CA 1.531 57.208 55.803 -0.211 0.000 0.879 275 Q CB -0.413 27.945 28.738 -0.633 0.000 0.947 275 Q HN 0.599 nan 8.270 nan 0.000 0.462 276 L N 0.088 121.319 121.223 0.013 0.000 2.137 276 L HA -0.162 4.170 4.340 -0.014 0.000 0.213 276 L C 2.689 179.571 176.870 0.020 0.000 1.085 276 L CA 2.445 57.309 54.840 0.039 0.000 0.760 276 L CB -2.429 39.647 42.059 0.028 0.000 0.893 276 L HN 0.482 nan 8.230 nan 0.000 0.434 277 L N -1.785 119.440 121.223 0.004 0.000 2.141 277 L HA -0.010 4.322 4.340 -0.014 0.000 0.209 277 L C 3.030 179.912 176.870 0.020 0.000 1.094 277 L CA 3.081 57.925 54.840 0.008 0.000 0.763 277 L CB -2.524 39.535 42.059 -0.000 0.000 0.908 277 L HN 1.079 nan 8.230 nan 0.000 0.437 278 Y N -0.121 120.188 120.300 0.016 0.000 2.315 278 Y HA 0.043 4.585 4.550 -0.014 0.000 0.288 278 Y C 2.813 178.741 175.900 0.047 0.000 1.154 278 Y CA 2.058 60.177 58.100 0.032 0.000 1.229 278 Y CB -1.513 36.964 38.460 0.028 0.000 0.980 278 Y HN 0.447 nan 8.280 nan 0.000 0.540 279 G N -0.915 107.914 108.800 0.049 0.000 2.469 279 G HA2 -0.231 3.721 3.960 -0.014 0.000 0.220 279 G HA3 -0.231 3.721 3.960 -0.014 0.000 0.220 279 G C 1.676 176.697 174.900 0.202 0.000 1.136 279 G CA 1.676 46.826 45.100 0.083 0.000 0.759 279 G HN 0.483 nan 8.290 nan 0.000 0.562 280 T N 0.576 115.201 114.554 0.118 0.000 3.023 280 T HA 0.116 4.458 4.350 -0.014 0.000 0.266 280 T C 2.862 177.615 174.700 0.088 0.000 1.093 280 T CA 1.613 63.773 62.100 0.100 0.000 1.129 280 T CB -0.203 68.676 68.868 0.017 0.000 0.899 280 T HN 0.432 nan 8.240 nan 0.000 0.491 281 M N 1.012 120.642 119.600 0.050 0.000 2.082 281 M HA -0.091 4.381 4.480 -0.014 0.000 0.258 281 M C 2.718 179.026 176.300 0.013 0.000 1.071 281 M CA 2.012 57.311 55.300 -0.002 0.000 1.103 281 M CB -1.968 30.604 32.600 -0.046 0.000 1.307 281 M HN 0.262 nan 8.290 nan 0.000 0.409 282 V N -0.855 119.094 119.914 0.059 0.000 2.324 282 V HA -0.303 3.809 4.120 -0.014 0.000 0.250 282 V C 2.398 178.520 176.094 0.046 0.000 1.060 282 V CA 2.493 64.831 62.300 0.064 0.000 1.042 282 V CB -1.458 30.445 31.823 0.135 0.000 0.650 282 V HN 0.825 nan 8.190 nan 0.000 0.450 283 Y N 0.764 121.034 120.300 -0.050 0.000 2.114 283 Y HA -0.236 4.306 4.550 -0.013 0.000 0.284 283 Y C 2.427 178.218 175.900 -0.181 0.000 1.143 283 Y CA 2.211 60.152 58.100 -0.265 0.000 1.135 283 Y CB -0.230 38.022 38.460 -0.346 0.000 0.980 283 Y HN 0.040 nan 8.280 nan 0.000 0.499 284 V N 1.158 121.131 119.914 0.099 0.000 2.261 284 V HA -0.318 3.794 4.120 -0.014 0.000 0.246 284 V C 2.487 178.527 176.094 -0.089 0.000 1.047 284 V CA 2.150 64.456 62.300 0.010 0.000 1.015 284 V CB -0.718 31.106 31.823 0.002 0.000 0.642 284 V HN 0.350 nan 8.190 nan 0.000 0.446 285 R N 0.204 120.658 120.500 -0.078 0.000 2.096 285 R HA -0.221 4.111 4.340 -0.014 0.000 0.240 285 R C 2.273 178.510 176.300 -0.105 0.000 1.139 285 R CA 1.772 57.822 56.100 -0.082 0.000 0.952 285 R CB -1.119 29.133 30.300 -0.081 0.000 0.854 285 R HN 0.587 nan 8.270 nan 0.000 0.436 286 Q N 0.944 120.653 119.800 -0.151 0.000 2.045 286 Q HA -0.171 4.161 4.340 -0.014 0.000 0.206 286 Q C 2.056 177.934 176.000 -0.204 0.000 0.991 286 Q CA 2.375 58.067 55.803 -0.185 0.000 0.851 286 Q CB -0.294 28.277 28.738 -0.277 0.000 0.911 286 Q HN 0.291 nan 8.270 nan 0.000 0.418 287 S N -0.256 115.273 115.700 -0.285 0.000 2.370 287 S HA -0.139 4.323 4.470 -0.014 0.000 0.226 287 S C 2.117 176.649 174.600 -0.114 0.000 1.033 287 S CA 1.347 59.401 58.200 -0.243 0.000 1.011 287 S CB -0.301 62.733 63.200 -0.276 0.000 0.852 287 S HN 0.451 nan 8.310 nan 0.000 0.457 288 I N 0.922 121.445 120.570 -0.078 0.000 2.315 288 I HA -0.104 4.058 4.170 -0.014 0.000 0.248 288 I C 2.296 178.417 176.117 0.008 0.000 1.117 288 I CA 0.806 62.101 61.300 -0.009 0.000 1.404 288 I CB -0.271 37.734 38.000 0.007 0.000 1.071 288 I HN 0.197 nan 8.210 nan 0.000 0.419 289 V N 0.951 120.844 119.914 -0.035 0.000 2.343 289 V HA -0.308 3.804 4.120 -0.014 0.000 0.247 289 V C 2.728 178.810 176.094 -0.020 0.000 1.051 289 V CA 1.904 64.180 62.300 -0.040 0.000 1.036 289 V CB -1.136 30.652 31.823 -0.058 0.000 0.654 289 V HN 0.495 nan 8.190 nan 0.000 0.451 290 A N 0.354 123.144 122.820 -0.051 0.000 1.859 290 A HA -0.320 3.992 4.320 -0.014 0.000 0.217 290 A C 1.969 179.552 177.584 -0.002 0.000 1.198 290 A CA 2.367 54.367 52.037 -0.062 0.000 0.629 290 A CB -0.887 18.050 19.000 -0.105 0.000 0.830 290 A HN 0.532 nan 8.150 nan 0.000 0.446 291 D N -0.155 120.264 120.400 0.033 0.000 2.221 291 D HA -0.040 4.592 4.640 -0.014 0.000 0.204 291 D C 2.092 178.497 176.300 0.176 0.000 0.982 291 D CA 1.314 55.379 54.000 0.107 0.000 0.857 291 D CB -0.365 40.513 40.800 0.129 0.000 0.934 291 D HN 0.476 nan 8.370 nan 0.000 0.475 292 A N 0.760 123.684 122.820 0.173 0.000 1.873 292 A HA -0.167 4.145 4.320 -0.014 0.000 0.215 292 A C 2.319 179.985 177.584 0.137 0.000 1.186 292 A CA 2.205 54.350 52.037 0.181 0.000 0.616 292 A CB -0.774 18.326 19.000 0.166 0.000 0.823 292 A HN 0.322 nan 8.150 nan 0.000 0.442 293 S N -0.309 115.481 115.700 0.149 0.000 2.399 293 S HA -0.157 4.304 4.470 -0.014 0.000 0.231 293 S C 1.870 176.555 174.600 0.142 0.000 1.022 293 S CA 1.479 59.767 58.200 0.147 0.000 0.983 293 S CB -0.608 62.598 63.200 0.011 0.000 0.803 293 S HN 0.527 nan 8.310 nan 0.000 0.480 294 L N 2.149 123.443 121.223 0.119 0.000 1.973 294 L HA 0.232 4.563 4.340 -0.014 0.000 0.208 294 L C 2.774 179.668 176.870 0.041 0.000 1.073 294 L CA 1.948 56.881 54.840 0.155 0.000 0.746 294 L CB -1.403 40.750 42.059 0.157 0.000 0.891 294 L HN 0.291 nan 8.230 nan 0.000 0.433 295 A N -0.384 122.417 122.820 -0.031 0.000 1.903 295 A HA -0.339 3.973 4.320 -0.014 0.000 0.219 295 A C 2.392 179.863 177.584 -0.187 0.000 1.191 295 A CA 2.775 54.706 52.037 -0.177 0.000 0.638 295 A CB -0.934 17.805 19.000 -0.435 0.000 0.823 295 A HN 0.654 nan 8.150 nan 0.000 0.451 296 M N 0.899 120.409 119.600 -0.151 0.000 2.080 296 M HA -0.159 4.313 4.480 -0.014 0.000 0.260 296 M C 2.353 178.595 176.300 -0.096 0.000 1.068 296 M CA 2.613 57.859 55.300 -0.089 0.000 1.109 296 M CB -0.570 32.026 32.600 -0.007 0.000 1.342 296 M HN 0.590 nan 8.290 nan 0.000 0.405 297 S N -0.078 115.513 115.700 -0.182 0.000 2.356 297 S HA -0.205 4.257 4.470 -0.014 0.000 0.223 297 S C 2.072 176.582 174.600 -0.150 0.000 1.032 297 S CA 1.532 59.432 58.200 -0.499 0.000 1.005 297 S CB -0.679 61.797 63.200 -1.206 0.000 0.867 297 S HN 0.644 nan 8.310 nan 0.000 0.449 298 R N 1.481 121.916 120.500 -0.109 0.000 2.091 298 R HA 0.018 4.349 4.340 -0.014 0.000 0.238 298 R C 2.768 179.039 176.300 -0.049 0.000 1.136 298 R CA 1.494 57.505 56.100 -0.148 0.000 0.959 298 R CB -0.822 29.266 30.300 -0.354 0.000 0.856 298 R HN 0.619 nan 8.270 nan 0.000 0.437 299 A N 0.385 123.176 122.820 -0.048 0.000 1.897 299 A HA -0.066 4.246 4.320 -0.014 0.000 0.215 299 A C 2.334 179.946 177.584 0.046 0.000 1.181 299 A CA 1.080 53.110 52.037 -0.012 0.000 0.620 299 A CB -0.402 18.587 19.000 -0.019 0.000 0.821 299 A HN 0.116 nan 8.150 nan 0.000 0.443 300 V N -0.915 119.043 119.914 0.074 0.000 2.407 300 V HA -0.296 3.815 4.120 -0.014 0.000 0.248 300 V C 2.679 178.882 176.094 0.182 0.000 1.055 300 V CA 1.903 64.283 62.300 0.133 0.000 1.049 300 V CB -0.945 30.976 31.823 0.164 0.000 0.662 300 V HN 0.808 nan 8.190 nan 0.000 0.455 301 C N -0.047 119.401 119.300 0.245 0.000 2.432 301 C HA -0.134 4.317 4.460 -0.014 0.000 0.277 301 C C 2.539 177.620 174.990 0.152 0.000 1.249 301 C CA 1.140 60.309 59.018 0.251 0.000 1.725 301 C CB -0.943 27.044 27.740 0.411 0.000 2.028 301 C HN 0.559 nan 8.230 nan 0.000 0.477 302 I N 1.850 122.486 120.570 0.111 0.000 2.142 302 I HA -0.142 4.019 4.170 -0.014 0.000 0.240 302 I C 2.908 179.092 176.117 0.112 0.000 1.078 302 I CA 1.859 63.209 61.300 0.084 0.000 1.343 302 I CB -0.665 37.353 38.000 0.030 0.000 1.046 302 I HN 0.375 nan 8.210 nan 0.000 0.405 303 A N -0.022 122.862 122.820 0.106 0.000 1.978 303 A HA -0.209 4.103 4.320 -0.014 0.000 0.220 303 A C 2.376 180.056 177.584 0.161 0.000 1.170 303 A CA 2.480 54.603 52.037 0.143 0.000 0.636 303 A CB -1.082 17.983 19.000 0.108 0.000 0.810 303 A HN 0.436 nan 8.150 nan 0.000 0.448 304 T N -0.552 114.081 114.554 0.131 0.000 2.698 304 T HA -0.095 4.247 4.350 -0.014 0.000 0.260 304 T C 2.104 176.850 174.700 0.077 0.000 1.044 304 T CA 1.367 63.535 62.100 0.112 0.000 1.149 304 T CB -0.212 68.712 68.868 0.093 0.000 0.864 304 T HN 0.520 nan 8.240 nan 0.000 0.419 305 R N -0.142 120.399 120.500 0.069 0.000 2.083 305 R HA -0.122 4.210 4.340 -0.014 0.000 0.237 305 R C 2.347 178.683 176.300 0.059 0.000 1.137 305 R CA 1.675 57.796 56.100 0.035 0.000 0.951 305 R CB -0.642 29.677 30.300 0.032 0.000 0.851 305 R HN 0.405 nan 8.270 nan 0.000 0.434 306 Y N 1.788 122.082 120.300 -0.010 0.000 2.165 306 Y HA -0.256 4.286 4.550 -0.014 0.000 0.286 306 Y C 2.366 178.263 175.900 -0.004 0.000 1.155 306 Y CA 1.754 59.845 58.100 -0.014 0.000 1.164 306 Y CB -0.217 38.249 38.460 0.011 0.000 0.978 306 Y HN -0.031 nan 8.280 nan 0.000 0.513 307 S N 0.140 115.840 115.700 -0.001 0.000 2.399 307 S HA -0.186 4.276 4.470 -0.014 0.000 0.231 307 S C 2.225 176.742 174.600 -0.138 0.000 1.022 307 S CA 0.949 59.094 58.200 -0.091 0.000 0.983 307 S CB -0.731 62.476 63.200 0.012 0.000 0.803 307 S HN 0.612 nan 8.310 nan 0.000 0.480 308 A N 0.745 123.509 122.820 -0.093 0.000 2.015 308 A HA 0.054 4.366 4.320 -0.014 0.000 0.219 308 A C 2.207 179.707 177.584 -0.140 0.000 1.163 308 A CA 1.063 53.042 52.037 -0.097 0.000 0.646 308 A CB -0.421 18.541 19.000 -0.063 0.000 0.806 308 A HN 0.365 nan 8.150 nan 0.000 0.448 309 V N -0.566 119.226 119.914 -0.205 0.000 2.436 309 V HA 0.040 4.152 4.120 -0.014 0.000 0.240 309 V C 1.317 177.248 176.094 -0.272 0.000 1.040 309 V CA 0.603 62.767 62.300 -0.227 0.000 1.052 309 V CB -0.599 31.076 31.823 -0.247 0.000 0.707 309 V HN 0.507 nan 8.190 nan 0.000 0.469 310 R N 2.406 122.620 120.500 -0.477 0.000 2.549 310 R HA -0.039 4.293 4.340 -0.014 0.000 0.336 310 R C -0.000 176.187 176.300 -0.188 0.000 0.891 310 R CA 0.702 56.575 56.100 -0.379 0.000 1.102 310 R CB -0.524 29.372 30.300 -0.674 0.000 0.899 310 R HN 0.428 nan 8.270 nan 0.000 0.407 311 R N 3.343 123.793 120.500 -0.084 0.000 2.532 311 R HA 0.439 4.771 4.340 -0.014 0.000 0.295 311 R C -0.723 175.560 176.300 -0.029 0.000 0.968 311 R CA -0.969 55.093 56.100 -0.064 0.000 0.916 311 R CB 1.647 31.921 30.300 -0.044 0.000 1.124 311 R HN 0.414 nan 8.270 nan 0.000 0.463 312 Q N 2.075 121.888 119.800 0.020 0.000 2.364 312 Q HA 0.341 4.672 4.340 -0.014 0.000 0.257 312 Q C -1.559 174.557 176.000 0.193 0.000 0.956 312 Q CA -0.350 55.447 55.803 -0.010 0.000 0.924 312 Q CB 0.831 29.582 28.738 0.021 0.000 1.413 312 Q HN 0.545 nan 8.270 nan 0.000 0.418 313 F N 0.992 121.008 119.950 0.109 0.000 2.183 313 F HA -0.051 4.468 4.527 -0.013 0.000 0.318 313 F C 1.399 177.275 175.800 0.127 0.000 0.210 313 F CA 1.416 59.484 58.000 0.113 0.000 0.912 313 F CB -0.950 38.118 39.000 0.115 0.000 4.135 313 F HN 0.919 nan 8.300 nan 0.000 0.137 314 G N 0.308 109.324 108.800 0.360 0.000 2.148 314 G HA2 -0.224 3.728 3.960 -0.014 0.000 0.254 314 G HA3 -0.224 3.728 3.960 -0.014 0.000 0.254 314 G C 0.136 175.118 174.900 0.137 0.000 0.981 314 G CA 0.347 45.588 45.100 0.234 0.000 0.670 314 G HN 1.122 nan 8.290 nan 0.000 0.528 315 S N 0.197 115.964 115.700 0.112 0.000 2.558 315 S HA 0.426 4.888 4.470 -0.014 0.000 0.291 315 S C 0.335 174.973 174.600 0.062 0.000 1.306 315 S CA 0.463 58.702 58.200 0.065 0.000 1.056 315 S CB 0.430 63.657 63.200 0.045 0.000 0.836 315 S HN 0.415 nan 8.310 nan 0.000 0.504 316 Q N 2.349 122.175 119.800 0.044 0.000 2.294 316 Q HA 0.369 4.700 4.340 -0.014 0.000 0.264 316 Q C 0.663 176.679 176.000 0.026 0.000 0.992 316 Q CA 0.037 55.862 55.803 0.036 0.000 0.747 316 Q CB 1.070 29.829 28.738 0.035 0.000 1.262 316 Q HN 1.048 nan 8.270 nan 0.000 0.452 317 N N 0.768 119.482 118.700 0.023 0.000 1.352 317 N HA -0.299 4.433 4.740 -0.014 0.000 0.096 317 N C 1.097 176.616 175.510 0.017 0.000 0.792 317 N CA 1.367 54.428 53.050 0.018 0.000 0.831 317 N CB -1.497 36.999 38.487 0.014 0.000 0.865 317 N HN 0.905 nan 8.380 nan 0.000 0.716 318 G N -0.214 108.593 108.800 0.012 0.000 2.601 318 G HA2 0.417 4.369 3.960 -0.014 0.000 0.214 318 G HA3 0.417 4.369 3.960 -0.014 0.000 0.214 318 G C 1.236 176.142 174.900 0.010 0.000 1.132 318 G CA 1.663 46.769 45.100 0.010 0.000 0.761 318 G HN 1.874 nan 8.290 nan 0.000 0.550 319 G N -0.922 107.887 108.800 0.014 0.000 2.690 319 G HA2 0.312 4.264 3.960 -0.014 0.000 0.239 319 G HA3 0.312 4.264 3.960 -0.014 0.000 0.239 319 G C 0.155 175.062 174.900 0.012 0.000 1.233 319 G CA -0.527 44.581 45.100 0.014 0.000 0.847 319 G HN 0.396 nan 8.290 nan 0.000 0.588 320 Q N 0.159 119.964 119.800 0.009 0.000 2.364 320 Q HA 0.082 4.414 4.340 -0.014 0.000 0.267 320 Q C 0.352 176.357 176.000 0.008 0.000 0.999 320 Q CA 0.326 56.131 55.803 0.004 0.000 0.886 320 Q CB 0.842 29.581 28.738 0.001 0.000 1.243 320 Q HN 0.601 nan 8.270 nan 0.000 0.415 321 E N 0.653 120.854 120.200 0.003 0.000 2.392 321 E HA 0.083 4.424 4.350 -0.014 0.000 0.256 321 E C -0.530 176.069 176.600 -0.001 0.000 1.145 321 E CA -0.116 56.294 56.400 0.016 0.000 0.929 321 E CB 0.509 30.211 29.700 0.002 0.000 0.998 321 E HN 0.398 nan 8.360 nan 0.000 0.442 322 T N 2.599 117.161 114.554 0.013 0.000 2.814 322 T HA 0.038 4.380 4.350 -0.014 0.000 0.297 322 T C -0.089 174.493 174.700 -0.196 0.000 0.956 322 T CA -0.341 61.706 62.100 -0.090 0.000 1.123 322 T CB 0.434 69.246 68.868 -0.095 0.000 0.902 322 T HN 0.300 nan 8.240 nan 0.000 0.528 323 Q N 1.591 121.268 119.800 -0.205 0.000 2.315 323 Q HA 0.085 4.417 4.340 -0.014 0.000 0.289 323 Q C 1.699 177.473 176.000 -0.377 0.000 1.044 323 Q CA -0.384 55.285 55.803 -0.223 0.000 0.920 323 Q CB 0.591 29.227 28.738 -0.169 0.000 1.214 323 Q HN 0.678 nan 8.270 nan 0.000 0.392 324 V N 0.790 120.531 119.914 -0.290 0.000 2.626 324 V HA -0.209 3.903 4.120 -0.014 0.000 0.252 324 V C 1.651 177.588 176.094 -0.261 0.000 1.067 324 V CA 1.550 63.671 62.300 -0.297 0.000 1.081 324 V CB -0.692 31.126 31.823 -0.009 0.000 0.686 324 V HN 0.888 nan 8.190 nan 0.000 0.468 325 I N 1.115 121.572 120.570 -0.189 0.000 2.530 325 I HA -0.230 3.932 4.170 -0.014 0.000 0.257 325 I C 1.882 177.898 176.117 -0.169 0.000 1.179 325 I CA 1.695 62.915 61.300 -0.132 0.000 1.440 325 I CB -0.221 37.756 38.000 -0.040 0.000 1.087 325 I HN 0.304 nan 8.210 nan 0.000 0.440 326 D N -0.269 119.966 120.400 -0.275 0.000 2.348 326 D HA -0.071 4.561 4.640 -0.014 0.000 0.216 326 D C 0.205 176.413 176.300 -0.155 0.000 0.970 326 D CA 0.632 54.502 54.000 -0.217 0.000 0.889 326 D CB -0.117 40.540 40.800 -0.239 0.000 0.912 326 D HN 0.364 nan 8.370 nan 0.000 0.524 327 Y N 0.363 120.616 120.300 -0.077 0.000 2.304 327 Y HA 0.065 4.606 4.550 -0.015 0.000 0.327 327 Y C 1.705 177.510 175.900 -0.159 0.000 1.209 327 Y CA -0.832 57.213 58.100 -0.090 0.000 1.299 327 Y CB 1.057 39.475 38.460 -0.070 0.000 1.249 327 Y HN -0.359 nan 8.280 nan 0.000 0.519 328 K N 0.572 121.011 120.400 0.065 0.000 2.366 328 K HA -0.077 4.235 4.320 -0.014 0.000 0.198 328 K C 1.641 178.161 176.600 -0.134 0.000 1.044 328 K CA 1.442 57.693 56.287 -0.061 0.000 0.973 328 K CB -0.223 32.286 32.500 0.015 0.000 0.767 328 K HN 0.819 nan 8.250 nan 0.000 0.475 329 T N -2.346 112.162 114.554 -0.075 0.000 2.937 329 T HA -0.078 4.263 4.350 -0.014 0.000 0.260 329 T C 1.900 176.526 174.700 -0.124 0.000 1.051 329 T CA 0.679 62.726 62.100 -0.088 0.000 1.141 329 T CB -0.258 68.574 68.868 -0.061 0.000 0.879 329 T HN 0.096 nan 8.240 nan 0.000 0.459 330 Q N 1.509 121.254 119.800 -0.092 0.000 2.030 330 Q HA -0.131 4.201 4.340 -0.014 0.000 0.204 330 Q C 2.500 178.276 176.000 -0.373 0.000 0.986 330 Q CA 1.828 57.549 55.803 -0.138 0.000 0.843 330 Q CB -0.482 28.222 28.738 -0.057 0.000 0.904 330 Q HN 0.695 nan 8.270 nan 0.000 0.420 331 Q N -0.255 119.187 119.800 -0.598 0.000 2.096 331 Q HA -0.240 4.092 4.340 -0.014 0.000 0.208 331 Q C 1.949 177.246 176.000 -1.171 0.000 0.993 331 Q CA 1.600 56.661 55.803 -1.236 0.000 0.862 331 Q CB -0.347 27.613 28.738 -1.297 0.000 0.915 331 Q HN 0.384 nan 8.270 nan 0.000 0.416 332 N N 0.256 118.472 118.700 -0.807 0.000 2.272 332 N HA -0.151 4.581 4.740 -0.014 0.000 0.185 332 N C 1.222 176.635 175.510 -0.161 0.000 1.014 332 N CA 1.168 53.978 53.050 -0.400 0.000 0.870 332 N CB 0.164 38.627 38.487 -0.040 0.000 0.975 332 N HN 0.212 nan 8.380 nan 0.000 0.433 333 R N -0.964 119.428 120.500 -0.179 0.000 2.189 333 R HA 0.118 4.450 4.340 -0.014 0.000 0.203 333 R C 1.724 177.946 176.300 -0.130 0.000 1.012 333 R CA 0.412 56.452 56.100 -0.100 0.000 1.015 333 R CB -0.147 30.130 30.300 -0.038 0.000 0.938 333 R HN 0.188 nan 8.270 nan 0.000 0.472 334 L N 0.071 121.198 121.223 -0.161 0.000 2.189 334 L HA 0.180 4.512 4.340 -0.014 0.000 0.199 334 L C 1.958 178.923 176.870 0.157 0.000 1.074 334 L CA 1.220 56.054 54.840 -0.011 0.000 0.783 334 L CB -0.243 41.833 42.059 0.029 0.000 0.955 334 L HN -0.013 nan 8.230 nan 0.000 0.460 335 F N 0.357 120.218 119.950 -0.149 0.000 2.202 335 F HA -0.135 4.383 4.527 -0.015 0.000 0.301 335 F C -0.318 175.465 175.800 -0.028 0.000 1.082 335 F CA 0.417 58.383 58.000 -0.058 0.000 1.313 335 F CB -1.532 37.456 39.000 -0.018 0.000 1.024 335 F HN 0.263 nan 8.300 nan 0.000 0.495 336 P HA -0.138 nan 4.420 nan 0.000 0.222 336 P C 1.537 178.785 177.300 -0.088 0.000 1.147 336 P CA 1.255 64.260 63.100 -0.159 0.000 0.790 336 P CB -0.065 31.068 31.700 -0.945 0.000 0.780 337 L N -1.744 119.446 121.223 -0.054 0.000 2.131 337 L HA -0.088 4.244 4.340 -0.014 0.000 0.206 337 L C 2.266 179.159 176.870 0.039 0.000 1.087 337 L CA 0.614 55.444 54.840 -0.017 0.000 0.767 337 L CB -0.975 41.084 42.059 0.000 0.000 0.917 337 L HN -0.003 nan 8.230 nan 0.000 0.441 338 L N 0.844 122.127 121.223 0.100 0.000 1.955 338 L HA -0.208 4.124 4.340 -0.014 0.000 0.213 338 L C 2.765 179.745 176.870 0.184 0.000 1.072 338 L CA 2.275 57.207 54.840 0.154 0.000 0.755 338 L CB -1.226 40.882 42.059 0.081 0.000 0.888 338 L HN 0.196 nan 8.230 nan 0.000 0.432 339 A N -1.351 121.547 122.820 0.131 0.000 1.915 339 A HA -0.308 4.003 4.320 -0.014 0.000 0.220 339 A C 2.410 180.064 177.584 0.117 0.000 1.198 339 A CA 2.623 54.759 52.037 0.165 0.000 0.647 339 A CB -1.204 17.913 19.000 0.194 0.000 0.825 339 A HN 0.591 nan 8.150 nan 0.000 0.456 340 S N -0.560 115.140 115.700 -0.000 0.000 2.399 340 S HA -0.007 4.455 4.470 -0.014 0.000 0.231 340 S C 2.241 176.488 174.600 -0.588 0.000 1.022 340 S CA 1.151 59.092 58.200 -0.431 0.000 0.983 340 S CB -0.446 62.474 63.200 -0.467 0.000 0.803 340 S HN 0.847 nan 8.310 nan 0.000 0.480 341 A N 0.319 123.039 122.820 -0.168 0.000 1.898 341 A HA -0.057 4.255 4.320 -0.014 0.000 0.216 341 A C 1.860 179.476 177.584 0.054 0.000 1.181 341 A CA 1.230 53.253 52.037 -0.023 0.000 0.620 341 A CB -0.819 18.202 19.000 0.033 0.000 0.819 341 A HN 0.532 nan 8.150 nan 0.000 0.442 342 Y N -0.095 120.213 120.300 0.012 0.000 2.200 342 Y HA -0.033 4.510 4.550 -0.012 0.000 0.290 342 Y C 2.915 178.434 175.900 -0.635 0.000 1.137 342 Y CA 0.856 58.807 58.100 -0.247 0.000 1.163 342 Y CB -0.534 37.888 38.460 -0.063 0.000 0.988 342 Y HN 0.327 nan 8.280 nan 0.000 0.518 343 A N 0.158 122.889 122.820 -0.148 0.000 1.865 343 A HA -0.194 4.117 4.320 -0.014 0.000 0.217 343 A C 2.149 179.684 177.584 -0.081 0.000 1.191 343 A CA 1.713 53.650 52.037 -0.166 0.000 0.623 343 A CB -1.431 17.308 19.000 -0.435 0.000 0.826 343 A HN 0.524 nan 8.150 nan 0.000 0.444 344 F N -1.004 118.830 119.950 -0.194 0.000 2.216 344 F HA -0.178 4.341 4.527 -0.013 0.000 0.300 344 F C 2.562 178.228 175.800 -0.223 0.000 1.085 344 F CA 0.989 58.908 58.000 -0.135 0.000 1.326 344 F CB -0.137 38.828 39.000 -0.059 0.000 1.027 344 F HN 0.157 nan 8.300 nan 0.000 0.497 345 R N 0.799 121.145 120.500 -0.255 0.000 2.105 345 R HA -0.162 4.170 4.340 -0.014 0.000 0.239 345 R C 1.738 177.852 176.300 -0.309 0.000 1.135 345 R CA 1.740 57.501 56.100 -0.565 0.000 0.967 345 R CB -0.885 28.695 30.300 -1.200 0.000 0.861 345 R HN 0.294 nan 8.270 nan 0.000 0.442 346 F N -2.142 117.705 119.950 -0.171 0.000 2.317 346 F HA 0.003 4.521 4.527 -0.014 0.000 0.293 346 F C 2.228 178.017 175.800 -0.018 0.000 1.085 346 F CA 0.129 58.036 58.000 -0.155 0.000 1.390 346 F CB -0.182 38.628 39.000 -0.317 0.000 1.077 346 F HN -0.132 nan 8.300 nan 0.000 0.517 347 V N 0.466 120.495 119.914 0.192 0.000 2.515 347 V HA -0.179 3.932 4.120 -0.014 0.000 0.250 347 V C 2.423 178.654 176.094 0.227 0.000 1.058 347 V CA 2.170 64.611 62.300 0.235 0.000 1.064 347 V CB -0.871 31.056 31.823 0.174 0.000 0.675 347 V HN 0.414 nan 8.190 nan 0.000 0.461 348 G N -0.692 108.171 108.800 0.104 0.000 2.476 348 G HA2 -0.288 3.663 3.960 -0.014 0.000 0.218 348 G HA3 -0.288 3.663 3.960 -0.014 0.000 0.218 348 G C 1.400 176.331 174.900 0.050 0.000 1.164 348 G CA 1.092 46.212 45.100 0.032 0.000 0.768 348 G HN 0.610 nan 8.290 nan 0.000 0.560 349 E N -1.031 119.228 120.200 0.098 0.000 2.152 349 E HA -0.092 4.250 4.350 -0.014 0.000 0.192 349 E C 2.008 178.707 176.600 0.165 0.000 0.983 349 E CA 0.561 57.020 56.400 0.099 0.000 0.818 349 E CB -0.183 29.584 29.700 0.111 0.000 0.758 349 E HN 0.674 nan 8.360 nan 0.000 0.467 350 W N 1.120 122.469 121.300 0.082 0.000 2.519 350 W HA -0.031 4.622 4.660 -0.012 0.000 0.266 350 W C 1.344 177.997 176.519 0.223 0.000 1.253 350 W CA 0.802 58.231 57.345 0.140 0.000 1.274 350 W CB 0.064 29.578 29.460 0.090 0.000 1.114 350 W HN -0.049 nan 8.180 nan 0.000 0.596 351 L N 0.676 121.875 121.223 -0.040 0.000 2.240 351 L HA -0.101 4.231 4.340 -0.014 0.000 0.211 351 L C 2.475 179.239 176.870 -0.177 0.000 1.106 351 L CA 1.146 55.843 54.840 -0.238 0.000 0.793 351 L CB -0.751 41.260 42.059 -0.081 0.000 0.927 351 L HN -0.135 nan 8.230 nan 0.000 0.446 352 K N -0.116 120.238 120.400 -0.077 0.000 2.044 352 K HA -0.275 4.037 4.320 -0.014 0.000 0.210 352 K C 1.965 178.579 176.600 0.024 0.000 1.049 352 K CA 2.141 58.414 56.287 -0.023 0.000 0.927 352 K CB -0.346 32.160 32.500 0.010 0.000 0.713 352 K HN 0.316 nan 8.250 nan 0.000 0.443 353 W N 0.604 121.789 121.300 -0.191 0.000 2.379 353 W HA -0.160 4.492 4.660 -0.012 0.000 0.307 353 W C 1.622 177.974 176.519 -0.279 0.000 1.200 353 W CA 1.090 58.316 57.345 -0.199 0.000 1.297 353 W CB -0.468 28.875 29.460 -0.196 0.000 1.140 353 W HN 0.144 nan 8.180 nan 0.000 0.507 354 L N 0.433 121.348 121.223 -0.513 0.000 2.127 354 L HA -0.211 4.121 4.340 -0.014 0.000 0.211 354 L C 2.435 179.005 176.870 -0.501 0.000 1.089 354 L CA 2.241 56.638 54.840 -0.738 0.000 0.757 354 L CB -1.375 40.193 42.059 -0.817 0.000 0.899 354 L HN 0.298 nan 8.230 nan 0.000 0.434 355 Y N -0.200 119.862 120.300 -0.396 0.000 2.181 355 Y HA -0.238 4.303 4.550 -0.014 0.000 0.288 355 Y C 2.338 178.081 175.900 -0.261 0.000 1.146 355 Y CA 2.278 60.227 58.100 -0.251 0.000 1.164 355 Y CB -0.685 37.692 38.460 -0.139 0.000 0.982 355 Y HN 0.218 nan 8.280 nan 0.000 0.515 356 T N -0.325 113.996 114.554 -0.387 0.000 2.746 356 T HA -0.196 4.146 4.350 -0.014 0.000 0.267 356 T C 1.411 175.788 174.700 -0.537 0.000 1.039 356 T CA 1.610 63.448 62.100 -0.436 0.000 1.142 356 T CB -0.516 68.209 68.868 -0.239 0.000 0.866 356 T HN 0.453 nan 8.240 nan 0.000 0.444 357 D N 0.815 120.767 120.400 -0.747 0.000 2.097 357 D HA -0.096 4.536 4.640 -0.014 0.000 0.195 357 D C 2.082 178.116 176.300 -0.443 0.000 0.989 357 D CA 0.786 54.372 54.000 -0.690 0.000 0.827 357 D CB -0.323 39.808 40.800 -1.115 0.000 0.966 357 D HN 0.134 nan 8.370 nan 0.000 0.456 358 V N 0.150 119.809 119.914 -0.425 0.000 2.295 358 V HA -0.213 3.899 4.120 -0.014 0.000 0.246 358 V C 2.569 178.506 176.094 -0.262 0.000 1.049 358 V CA 2.186 64.321 62.300 -0.275 0.000 1.024 358 V CB -0.888 30.804 31.823 -0.217 0.000 0.648 358 V HN 0.546 nan 8.190 nan 0.000 0.447 359 T N -3.069 111.250 114.554 -0.391 0.000 3.160 359 T HA -0.117 4.224 4.350 -0.014 0.000 0.257 359 T C 1.580 176.128 174.700 -0.253 0.000 1.147 359 T CA 1.091 62.989 62.100 -0.336 0.000 1.064 359 T CB 0.042 68.615 68.868 -0.491 0.000 0.949 359 T HN 0.407 nan 8.240 nan 0.000 0.526 360 Q N 0.733 120.380 119.800 -0.256 0.000 2.123 360 Q HA 0.221 4.553 4.340 -0.014 0.000 0.196 360 Q C 2.558 178.463 176.000 -0.159 0.000 0.958 360 Q CA 1.000 56.691 55.803 -0.187 0.000 0.841 360 Q CB 0.067 28.695 28.738 -0.184 0.000 0.915 360 Q HN 0.526 nan 8.270 nan 0.000 0.455 361 R N -0.712 119.687 120.500 -0.169 0.000 2.090 361 R HA -0.020 4.312 4.340 -0.014 0.000 0.228 361 R C 2.504 178.696 176.300 -0.180 0.000 1.110 361 R CA 1.159 57.166 56.100 -0.155 0.000 0.973 361 R CB -0.806 29.415 30.300 -0.131 0.000 0.869 361 R HN 0.268 nan 8.270 nan 0.000 0.440 362 L N 0.476 121.619 121.223 -0.133 0.000 2.187 362 L HA 0.090 4.422 4.340 -0.014 0.000 0.213 362 L C 2.432 179.237 176.870 -0.108 0.000 1.100 362 L CA 2.313 57.107 54.840 -0.077 0.000 0.765 362 L CB -1.674 40.381 42.059 -0.006 0.000 0.904 362 L HN 0.390 nan 8.230 nan 0.000 0.437 363 A N -1.355 121.394 122.820 -0.118 0.000 2.208 363 A HA 0.513 4.825 4.320 -0.014 0.000 0.209 363 A C 2.179 179.692 177.584 -0.118 0.000 1.161 363 A CA 1.072 53.049 52.037 -0.100 0.000 0.782 363 A CB -0.408 18.539 19.000 -0.088 0.000 0.816 363 A HN 1.397 nan 8.150 nan 0.000 0.477 364 A N -0.738 121.984 122.820 -0.163 0.000 2.503 364 A HA 0.403 4.715 4.320 -0.014 0.000 0.263 364 A C 0.505 177.937 177.584 -0.254 0.000 1.258 364 A CA 0.129 52.065 52.037 -0.167 0.000 0.936 364 A CB -0.519 18.396 19.000 -0.142 0.000 1.070 364 A HN 0.463 nan 8.150 nan 0.000 0.522 365 N N 0.979 119.462 118.700 -0.362 0.000 2.721 365 N HA -0.156 4.575 4.740 -0.014 0.000 0.249 365 N C -0.614 174.301 175.510 -0.992 0.000 1.072 365 N CA 1.165 53.807 53.050 -0.680 0.000 0.710 365 N CB -0.984 37.302 38.487 -0.335 0.000 0.993 365 N HN 0.674 nan 8.380 nan 0.000 0.547 366 D N -0.281 119.647 120.400 -0.786 0.000 2.313 366 D HA 0.196 4.828 4.640 -0.014 0.000 0.239 366 D C 0.026 176.018 176.300 -0.514 0.000 1.142 366 D CA -0.174 53.520 54.000 -0.510 0.000 0.847 366 D CB 0.243 40.894 40.800 -0.249 0.000 1.082 366 D HN 0.299 nan 8.370 nan 0.000 0.480 367 F N 1.258 121.204 119.950 -0.008 0.000 2.746 367 F HA -0.018 4.501 4.527 -0.014 0.000 0.320 367 F C 2.442 178.248 175.800 0.011 0.000 1.097 367 F CA -0.467 57.531 58.000 -0.003 0.000 1.195 367 F CB 0.562 39.561 39.000 -0.002 0.000 1.056 367 F HN 0.343 nan 8.300 nan 0.000 0.562 368 S N -0.949 114.836 115.700 0.142 0.000 2.493 368 S HA -0.191 4.271 4.470 -0.014 0.000 0.243 368 S C 1.658 176.327 174.600 0.114 0.000 0.991 368 S CA 1.798 60.065 58.200 0.112 0.000 0.957 368 S CB -0.481 62.761 63.200 0.069 0.000 0.756 368 S HN 0.314 nan 8.310 nan 0.000 0.521 369 T N -0.607 114.012 114.554 0.109 0.000 3.003 369 T HA 0.368 4.710 4.350 -0.014 0.000 0.261 369 T C 1.110 175.860 174.700 0.082 0.000 1.003 369 T CA -0.101 62.055 62.100 0.095 0.000 0.917 369 T CB -0.244 68.658 68.868 0.056 0.000 1.084 369 T HN 0.238 nan 8.240 nan 0.000 0.522 370 L N 2.090 123.370 121.223 0.094 0.000 2.023 370 L HA 0.257 4.589 4.340 -0.014 0.000 0.205 370 L C -0.923 175.956 176.870 0.015 0.000 1.073 370 L CA 1.730 56.610 54.840 0.067 0.000 0.745 370 L CB -0.987 41.127 42.059 0.091 0.000 0.900 370 L HN 0.137 nan 8.230 nan 0.000 0.435 371 P HA -0.250 nan 4.420 nan 0.000 0.214 371 P C 1.527 178.569 177.300 -0.431 0.000 1.169 371 P CA 1.544 64.565 63.100 -0.131 0.000 0.908 371 P CB -0.069 31.680 31.700 0.082 0.000 0.791 372 E N -0.247 119.787 120.200 -0.277 0.000 2.097 372 E HA -0.257 4.085 4.350 -0.014 0.000 0.196 372 E C 1.867 178.399 176.600 -0.114 0.000 1.000 372 E CA 1.834 58.082 56.400 -0.253 0.000 0.804 372 E CB -0.577 29.235 29.700 0.186 0.000 0.740 372 E HN 0.080 nan 8.360 nan 0.000 0.454 373 A N 0.330 123.140 122.820 -0.018 0.000 1.877 373 A HA -0.231 4.081 4.320 -0.014 0.000 0.216 373 A C 2.076 179.659 177.584 -0.001 0.000 1.186 373 A CA 1.983 54.030 52.037 0.016 0.000 0.620 373 A CB -1.001 18.001 19.000 0.003 0.000 0.822 373 A HN 0.590 nan 8.150 nan 0.000 0.443 374 H N -0.376 118.620 119.070 -0.125 0.000 2.267 374 H HA -0.046 4.502 4.556 -0.014 0.000 0.297 374 H C 2.262 177.506 175.328 -0.139 0.000 1.080 374 H CA 2.172 58.148 56.048 -0.120 0.000 1.278 374 H CB -0.192 29.493 29.762 -0.128 0.000 1.365 374 H HN 0.406 nan 8.280 nan 0.000 0.489 375 A N 0.230 123.037 122.820 -0.021 0.000 1.883 375 A HA -0.253 4.059 4.320 -0.014 0.000 0.217 375 A C 2.845 180.469 177.584 0.067 0.000 1.186 375 A CA 1.594 53.606 52.037 -0.042 0.000 0.624 375 A CB -1.702 17.021 19.000 -0.462 0.000 0.822 375 A HN 0.758 nan 8.150 nan 0.000 0.444 376 C N -0.054 119.295 119.300 0.081 0.000 2.413 376 C HA -0.136 4.316 4.460 -0.014 0.000 0.276 376 C C 3.168 178.240 174.990 0.135 0.000 1.236 376 C CA 2.449 61.586 59.018 0.198 0.000 1.735 376 C CB -1.544 26.366 27.740 0.283 0.000 2.031 376 C HN 0.742 nan 8.230 nan 0.000 0.474 377 T N -0.289 114.293 114.554 0.045 0.000 2.857 377 T HA 0.088 4.430 4.350 -0.014 0.000 0.266 377 T C 2.064 176.737 174.700 -0.045 0.000 1.048 377 T CA 1.475 63.570 62.100 -0.008 0.000 1.139 377 T CB -0.696 68.132 68.868 -0.066 0.000 0.874 377 T HN 0.638 nan 8.240 nan 0.000 0.455 378 A N 2.027 124.799 122.820 -0.080 0.000 1.877 378 A HA 0.237 4.549 4.320 -0.014 0.000 0.216 378 A C 2.712 180.307 177.584 0.018 0.000 1.186 378 A CA 1.677 53.679 52.037 -0.057 0.000 0.620 378 A CB -1.615 17.370 19.000 -0.025 0.000 0.822 378 A HN 0.583 nan 8.150 nan 0.000 0.443 379 G N -0.321 108.522 108.800 0.071 0.000 2.418 379 G HA2 -0.148 3.803 3.960 -0.014 0.000 0.217 379 G HA3 -0.148 3.803 3.960 -0.014 0.000 0.217 379 G C 1.562 176.498 174.900 0.061 0.000 1.158 379 G CA 1.001 46.163 45.100 0.103 0.000 0.771 379 G HN 0.417 nan 8.290 nan 0.000 0.545 380 L N 0.011 121.263 121.223 0.048 0.000 2.093 380 L HA -0.034 4.298 4.340 -0.014 0.000 0.208 380 L C 2.906 179.743 176.870 -0.055 0.000 1.085 380 L CA 1.093 55.933 54.840 0.001 0.000 0.755 380 L CB -0.344 41.741 42.059 0.043 0.000 0.904 380 L HN 0.149 nan 8.230 nan 0.000 0.435 381 K N 0.111 120.491 120.400 -0.033 0.000 2.026 381 K HA -0.196 4.116 4.320 -0.014 0.000 0.208 381 K C 2.288 178.868 176.600 -0.032 0.000 1.048 381 K CA 1.975 58.237 56.287 -0.041 0.000 0.929 381 K CB -0.289 32.192 32.500 -0.031 0.000 0.713 381 K HN 0.117 nan 8.250 nan 0.000 0.439 382 S N 0.798 116.493 115.700 -0.008 0.000 2.353 382 S HA -0.162 4.300 4.470 -0.014 0.000 0.222 382 S C 2.094 176.706 174.600 0.019 0.000 1.035 382 S CA 1.355 59.563 58.200 0.013 0.000 1.025 382 S CB -0.372 62.849 63.200 0.036 0.000 0.902 382 S HN 0.332 nan 8.310 nan 0.000 0.440 383 L N 1.496 122.723 121.223 0.008 0.000 1.989 383 L HA -0.106 4.226 4.340 -0.014 0.000 0.211 383 L C 2.809 179.648 176.870 -0.053 0.000 1.071 383 L CA 2.741 57.594 54.840 0.022 0.000 0.749 383 L CB -1.296 40.774 42.059 0.018 0.000 0.890 383 L HN 0.632 nan 8.230 nan 0.000 0.431 384 T N -4.951 109.445 114.554 -0.264 0.000 2.904 384 T HA -0.135 4.207 4.350 -0.014 0.000 0.267 384 T C 1.761 176.409 174.700 -0.086 0.000 1.059 384 T CA 1.300 63.059 62.100 -0.568 0.000 1.137 384 T CB -1.183 67.145 68.868 -0.899 0.000 0.879 384 T HN 0.540 nan 8.240 nan 0.000 0.467 385 T N 0.193 114.761 114.554 0.023 0.000 2.951 385 T HA 0.003 4.345 4.350 -0.014 0.000 0.268 385 T C 2.198 177.028 174.700 0.216 0.000 1.073 385 T CA 1.110 63.318 62.100 0.181 0.000 1.134 385 T CB -0.707 68.211 68.868 0.084 0.000 0.884 385 T HN 0.408 nan 8.240 nan 0.000 0.479 386 S N 2.028 117.822 115.700 0.156 0.000 2.371 386 S HA 0.224 4.686 4.470 -0.014 0.000 0.224 386 S C 2.645 177.393 174.600 0.245 0.000 1.029 386 S CA 0.709 59.022 58.200 0.188 0.000 0.978 386 S CB -0.752 62.546 63.200 0.163 0.000 0.833 386 S HN 0.739 nan 8.310 nan 0.000 0.466 387 A N 1.707 124.700 122.820 0.288 0.000 1.902 387 A HA -0.110 4.202 4.320 -0.014 0.000 0.217 387 A C 2.329 180.109 177.584 0.326 0.000 1.181 387 A CA 2.058 54.319 52.037 0.373 0.000 0.623 387 A CB -1.330 18.038 19.000 0.612 0.000 0.818 387 A HN 0.464 nan 8.150 nan 0.000 0.443 388 T N 0.165 114.912 114.554 0.322 0.000 2.701 388 T HA 0.039 4.381 4.350 -0.014 0.000 0.263 388 T C 2.308 177.085 174.700 0.129 0.000 1.040 388 T CA 1.588 63.782 62.100 0.158 0.000 1.147 388 T CB -0.565 68.303 68.868 0.000 0.000 0.865 388 T HN 0.598 nan 8.240 nan 0.000 0.426 389 A N 2.109 125.113 122.820 0.307 0.000 1.892 389 A HA -0.228 4.084 4.320 -0.014 0.000 0.218 389 A C 2.100 179.914 177.584 0.383 0.000 1.188 389 A CA 2.156 54.439 52.037 0.409 0.000 0.631 389 A CB -0.882 18.343 19.000 0.375 0.000 0.822 389 A HN 0.372 nan 8.150 nan 0.000 0.447 390 D N -0.643 119.927 120.400 0.283 0.000 2.144 390 D HA -0.054 4.578 4.640 -0.014 0.000 0.199 390 D C 2.077 178.472 176.300 0.158 0.000 0.984 390 D CA 1.402 55.532 54.000 0.218 0.000 0.834 390 D CB -0.684 40.235 40.800 0.198 0.000 0.955 390 D HN 0.445 nan 8.370 nan 0.000 0.465 391 G N 0.309 109.198 108.800 0.149 0.000 2.432 391 G HA2 -0.179 3.773 3.960 -0.014 0.000 0.219 391 G HA3 -0.179 3.773 3.960 -0.014 0.000 0.219 391 G C 1.728 176.667 174.900 0.065 0.000 1.135 391 G CA 0.281 45.436 45.100 0.091 0.000 0.767 391 G HN 0.275 nan 8.290 nan 0.000 0.550 392 I N 0.043 120.670 120.570 0.095 0.000 2.333 392 I HA -0.027 4.135 4.170 -0.014 0.000 0.246 392 I C 2.591 178.723 176.117 0.025 0.000 1.106 392 I CA 0.982 62.333 61.300 0.084 0.000 1.411 392 I CB -0.082 38.013 38.000 0.158 0.000 1.082 392 I HN 0.081 nan 8.210 nan 0.000 0.420 393 E N 1.339 121.515 120.200 -0.040 0.000 2.118 393 E HA -0.285 4.056 4.350 -0.014 0.000 0.195 393 E C 1.886 178.429 176.600 -0.095 0.000 0.992 393 E CA 1.487 57.747 56.400 -0.232 0.000 0.804 393 E CB -0.069 29.419 29.700 -0.354 0.000 0.741 393 E HN 0.336 nan 8.360 nan 0.000 0.458 394 E N -0.695 119.491 120.200 -0.022 0.000 2.106 394 E HA -0.104 4.238 4.350 -0.014 0.000 0.192 394 E C 1.981 178.583 176.600 0.002 0.000 0.984 394 E CA 1.353 57.753 56.400 -0.001 0.000 0.806 394 E CB -0.607 29.107 29.700 0.023 0.000 0.750 394 E HN 0.355 nan 8.360 nan 0.000 0.458 395 C N 0.260 119.565 119.300 0.008 0.000 2.440 395 C HA 0.035 4.486 4.460 -0.014 0.000 0.278 395 C C 2.651 177.646 174.990 0.008 0.000 1.295 395 C CA 0.763 59.794 59.018 0.020 0.000 1.738 395 C CB -0.876 26.881 27.740 0.027 0.000 1.987 395 C HN 0.457 nan 8.230 nan 0.000 0.492 396 R N 1.292 121.781 120.500 -0.018 0.000 2.080 396 R HA -0.151 4.180 4.340 -0.014 0.000 0.236 396 R C 2.225 178.518 176.300 -0.012 0.000 1.137 396 R CA 1.539 57.623 56.100 -0.026 0.000 0.943 396 R CB -0.274 29.994 30.300 -0.053 0.000 0.846 396 R HN 0.509 nan 8.270 nan 0.000 0.431 397 K N 0.338 120.728 120.400 -0.016 0.000 2.152 397 K HA -0.136 4.176 4.320 -0.014 0.000 0.206 397 K C 2.070 178.684 176.600 0.023 0.000 1.048 397 K CA 1.226 57.510 56.287 -0.005 0.000 0.933 397 K CB -0.116 32.377 32.500 -0.012 0.000 0.721 397 K HN 0.283 nan 8.250 nan 0.000 0.447 398 L N 0.067 121.312 121.223 0.036 0.000 2.291 398 L HA -0.149 4.183 4.340 -0.014 0.000 0.214 398 L C 1.917 178.866 176.870 0.132 0.000 1.120 398 L CA 0.439 55.321 54.840 0.071 0.000 0.799 398 L CB -0.198 41.901 42.059 0.066 0.000 0.925 398 L HN 0.232 nan 8.230 nan 0.000 0.446 399 C N 0.516 119.873 119.300 0.096 0.000 2.573 399 C HA 0.315 4.767 4.460 -0.014 0.000 0.273 399 C C 1.700 176.739 174.990 0.082 0.000 1.346 399 C CA -0.017 59.050 59.018 0.081 0.000 1.702 399 C CB -1.980 25.656 27.740 -0.173 0.000 1.751 399 C HN 0.733 nan 8.230 nan 0.000 0.583 400 G N 0.957 109.808 108.800 0.085 0.000 2.622 400 G HA2 -0.121 3.831 3.960 -0.014 0.000 0.272 400 G HA3 -0.121 3.831 3.960 -0.014 0.000 0.272 400 G C 1.017 175.897 174.900 -0.033 0.000 1.308 400 G CA 0.016 45.138 45.100 0.037 0.000 0.919 400 G HN 0.654 nan 8.290 nan 0.000 0.565 401 G N -1.682 107.061 108.800 -0.095 0.000 2.545 401 G HA2 -0.303 3.649 3.960 -0.014 0.000 0.222 401 G HA3 -0.303 3.649 3.960 -0.014 0.000 0.222 401 G C 1.395 176.260 174.900 -0.058 0.000 1.126 401 G CA 1.949 46.981 45.100 -0.113 0.000 0.754 401 G HN 0.896 nan 8.290 nan 0.000 0.583 402 H N 0.440 119.519 119.070 0.016 0.000 2.489 402 H HA -0.022 4.526 4.556 -0.014 0.000 0.293 402 H C 2.743 178.017 175.328 -0.091 0.000 1.066 402 H CA 0.846 56.871 56.048 -0.039 0.000 1.305 402 H CB -0.641 29.076 29.762 -0.074 0.000 1.386 402 H HN 0.394 nan 8.280 nan 0.000 0.551 403 G N -0.466 108.330 108.800 -0.007 0.000 2.484 403 G HA2 -0.266 3.686 3.960 -0.014 0.000 0.218 403 G HA3 -0.266 3.686 3.960 -0.014 0.000 0.218 403 G C 1.406 176.341 174.900 0.058 0.000 1.130 403 G CA 0.031 45.111 45.100 -0.032 0.000 0.784 403 G HN 0.384 nan 8.290 nan 0.000 0.543 404 Y N 0.596 120.872 120.300 -0.040 0.000 2.571 404 Y HA 0.318 4.860 4.550 -0.014 0.000 0.294 404 Y C 1.044 176.935 175.900 -0.015 0.000 1.141 404 Y CA -0.621 57.464 58.100 -0.025 0.000 1.308 404 Y CB -0.022 38.428 38.460 -0.017 0.000 1.002 404 Y HN -0.059 nan 8.280 nan 0.000 0.551 405 L N -0.480 120.736 121.223 -0.012 0.000 2.305 405 L HA 0.007 4.338 4.340 -0.014 0.000 0.281 405 L C 1.390 178.194 176.870 -0.110 0.000 1.085 405 L CA -0.588 54.206 54.840 -0.076 0.000 0.813 405 L CB 0.814 42.866 42.059 -0.011 0.000 1.157 405 L HN 0.203 nan 8.230 nan 0.000 0.436 406 C N 0.540 119.758 119.300 -0.136 0.000 2.375 406 C HA -0.233 4.219 4.460 -0.014 0.000 0.274 406 C C 2.816 177.755 174.990 -0.084 0.000 1.190 406 C CA 1.590 60.543 59.018 -0.109 0.000 1.775 406 C CB -0.915 26.766 27.740 -0.098 0.000 2.067 406 C HN 1.020 nan 8.230 nan 0.000 0.463 407 S N 1.194 116.849 115.700 -0.075 0.000 2.584 407 S HA -0.103 4.359 4.470 -0.014 0.000 0.240 407 S C 1.566 176.126 174.600 -0.067 0.000 0.975 407 S CA 1.393 59.555 58.200 -0.065 0.000 0.949 407 S CB -0.576 62.589 63.200 -0.057 0.000 0.761 407 S HN 0.821 nan 8.310 nan 0.000 0.536 408 S N 0.285 115.940 115.700 -0.075 0.000 2.461 408 S HA 0.380 4.842 4.470 -0.014 0.000 0.228 408 S C 1.853 176.405 174.600 -0.080 0.000 1.005 408 S CA 0.765 58.913 58.200 -0.086 0.000 0.942 408 S CB -0.786 62.356 63.200 -0.097 0.000 0.776 408 S HN 1.417 nan 8.310 nan 0.000 0.514 409 G N 1.191 109.944 108.800 -0.078 0.000 2.284 409 G HA2 -0.267 3.685 3.960 -0.014 0.000 0.230 409 G HA3 -0.267 3.685 3.960 -0.014 0.000 0.230 409 G C 0.723 175.579 174.900 -0.073 0.000 1.021 409 G CA 0.319 45.368 45.100 -0.085 0.000 0.619 409 G HN 0.497 nan 8.290 nan 0.000 0.510 410 L N 1.152 122.340 121.223 -0.058 0.000 2.109 410 L HA 0.085 4.417 4.340 -0.014 0.000 0.207 410 L C 0.310 177.178 176.870 -0.004 0.000 1.086 410 L CA 1.586 56.408 54.840 -0.030 0.000 0.760 410 L CB -1.044 40.997 42.059 -0.030 0.000 0.910 410 L HN 0.216 nan 8.230 nan 0.000 0.437 411 P HA -0.207 nan 4.420 nan 0.000 0.214 411 P C 1.417 178.697 177.300 -0.033 0.000 1.163 411 P CA 1.367 64.449 63.100 -0.030 0.000 0.883 411 P CB 0.076 31.721 31.700 -0.092 0.000 0.788 412 E N -0.906 119.258 120.200 -0.060 0.000 2.085 412 E HA -0.205 4.136 4.350 -0.014 0.000 0.194 412 E C 1.887 178.466 176.600 -0.036 0.000 0.994 412 E CA 0.835 57.196 56.400 -0.066 0.000 0.801 412 E CB -0.596 29.063 29.700 -0.068 0.000 0.743 412 E HN 0.022 nan 8.360 nan 0.000 0.453 413 L N 0.258 121.471 121.223 -0.017 0.000 2.131 413 L HA -0.150 4.182 4.340 -0.014 0.000 0.210 413 L C 1.941 178.871 176.870 0.099 0.000 1.092 413 L CA 1.448 56.292 54.840 0.006 0.000 0.759 413 L CB -0.424 41.615 42.059 -0.033 0.000 0.903 413 L HN 0.133 nan 8.230 nan 0.000 0.435 414 F N -0.183 119.743 119.950 -0.040 0.000 2.149 414 F HA 0.032 4.551 4.527 -0.014 0.000 0.294 414 F C 2.308 178.076 175.800 -0.052 0.000 1.095 414 F CA 1.164 59.163 58.000 -0.001 0.000 1.276 414 F CB -0.701 38.286 39.000 -0.021 0.000 1.023 414 F HN 0.085 nan 8.300 nan 0.000 0.480 415 A N 0.290 122.939 122.820 -0.285 0.000 1.873 415 A HA -0.192 4.120 4.320 -0.014 0.000 0.218 415 A C 2.279 179.743 177.584 -0.199 0.000 1.193 415 A CA 2.447 54.179 52.037 -0.507 0.000 0.629 415 A CB -1.503 17.167 19.000 -0.550 0.000 0.826 415 A HN 0.280 nan 8.150 nan 0.000 0.447 416 V N -1.670 118.222 119.914 -0.036 0.000 2.490 416 V HA -0.264 3.848 4.120 -0.014 0.000 0.250 416 V C 2.347 178.502 176.094 0.101 0.000 1.061 416 V CA 2.154 64.534 62.300 0.133 0.000 1.064 416 V CB -0.961 30.916 31.823 0.090 0.000 0.670 416 V HN 0.701 nan 8.190 nan 0.000 0.461 417 Y N -0.167 120.075 120.300 -0.096 0.000 2.243 417 Y HA -0.089 4.453 4.550 -0.013 0.000 0.293 417 Y C 2.461 178.244 175.900 -0.195 0.000 1.124 417 Y CA 1.376 59.420 58.100 -0.094 0.000 1.159 417 Y CB -0.230 38.189 38.460 -0.068 0.000 1.008 417 Y HN -0.010 nan 8.280 nan 0.000 0.527 418 V N 1.781 121.466 119.914 -0.381 0.000 2.469 418 V HA -0.216 3.895 4.120 -0.014 0.000 0.251 418 V C -0.742 175.035 176.094 -0.529 0.000 1.064 418 V CA 2.198 64.227 62.300 -0.451 0.000 1.066 418 V CB -1.277 30.203 31.823 -0.572 0.000 0.667 418 V HN 0.327 nan 8.190 nan 0.000 0.461 419 P HA -0.164 nan 4.420 nan 0.000 0.218 419 P C 1.645 178.224 177.300 -1.203 0.000 1.146 419 P CA 1.785 64.382 63.100 -0.839 0.000 0.813 419 P CB -0.307 30.841 31.700 -0.920 0.000 0.778 420 A N -0.356 121.768 122.820 -1.160 0.000 1.985 420 A HA -0.319 3.993 4.320 -0.014 0.000 0.223 420 A C 2.271 179.534 177.584 -0.535 0.000 1.189 420 A CA 2.244 53.749 52.037 -0.887 0.000 0.658 420 A CB -1.988 16.458 19.000 -0.924 0.000 0.820 420 A HN 0.316 nan 8.150 nan 0.000 0.464 421 C N -0.976 118.060 119.300 -0.440 0.000 2.449 421 C HA 0.065 4.517 4.460 -0.014 0.000 0.283 421 C C 2.623 177.478 174.990 -0.225 0.000 1.453 421 C CA 1.327 60.204 59.018 -0.236 0.000 1.779 421 C CB -1.596 26.060 27.740 -0.139 0.000 1.779 421 C HN 0.845 nan 8.230 nan 0.000 0.546 422 T N -3.182 111.165 114.554 -0.345 0.000 2.964 422 T HA 0.174 4.516 4.350 -0.014 0.000 0.250 422 T C 0.347 174.941 174.700 -0.177 0.000 0.982 422 T CA -0.066 61.880 62.100 -0.257 0.000 0.959 422 T CB -0.189 68.496 68.868 -0.306 0.000 1.141 422 T HN 0.379 nan 8.240 nan 0.000 0.494 423 Y N 1.002 121.181 120.300 -0.203 0.000 2.374 423 Y HA 0.646 5.188 4.550 -0.014 0.000 0.322 423 Y C 0.788 176.617 175.900 -0.119 0.000 1.275 423 Y CA -1.924 56.077 58.100 -0.164 0.000 1.307 423 Y CB -0.340 38.014 38.460 -0.178 0.000 1.282 423 Y HN 0.388 nan 8.280 nan 0.000 0.509 424 E N -0.553 119.738 120.200 0.152 0.000 2.228 424 E HA 0.213 4.554 4.350 -0.014 0.000 0.213 424 E C 0.598 177.216 176.600 0.030 0.000 1.282 424 E CA 1.619 58.038 56.400 0.031 0.000 0.707 424 E CB -2.343 27.341 29.700 -0.025 0.000 1.150 424 E HN 2.679 nan 8.360 nan 0.000 0.362 425 G N -0.415 108.403 108.800 0.029 0.000 3.421 425 G HA2 0.260 4.212 3.960 -0.014 0.000 0.686 425 G HA3 0.260 4.212 3.960 -0.014 0.000 0.686 425 G C -0.370 174.527 174.900 -0.005 0.000 1.056 425 G CA 0.451 45.558 45.100 0.011 0.000 0.891 425 G HN 1.427 nan 8.290 nan 0.000 0.514 426 D N 1.547 121.940 120.400 -0.013 0.000 2.533 426 D HA 0.144 4.776 4.640 -0.014 0.000 0.236 426 D C 1.705 177.997 176.300 -0.013 0.000 1.137 426 D CA 0.347 54.331 54.000 -0.027 0.000 0.867 426 D CB 0.572 41.362 40.800 -0.017 0.000 1.170 426 D HN 0.301 nan 8.370 nan 0.000 0.474 427 N N 2.564 121.254 118.700 -0.018 0.000 2.069 427 N HA -0.156 4.575 4.740 -0.014 0.000 0.191 427 N C 1.664 177.187 175.510 0.021 0.000 1.031 427 N CA 0.982 54.034 53.050 0.004 0.000 0.852 427 N CB -0.204 38.290 38.487 0.011 0.000 1.018 427 N HN 0.323 nan 8.380 nan 0.000 0.423 428 V N 0.290 120.216 119.914 0.020 0.000 2.427 428 V HA -0.108 4.004 4.120 -0.014 0.000 0.248 428 V C 2.358 178.465 176.094 0.022 0.000 1.051 428 V CA 0.949 63.265 62.300 0.028 0.000 1.048 428 V CB -0.472 31.367 31.823 0.027 0.000 0.666 428 V HN 0.073 nan 8.190 nan 0.000 0.456 429 V N -0.155 119.767 119.914 0.013 0.000 2.515 429 V HA -0.203 3.908 4.120 -0.014 0.000 0.250 429 V C 2.263 178.368 176.094 0.019 0.000 1.058 429 V CA 1.715 64.021 62.300 0.011 0.000 1.064 429 V CB -0.386 31.443 31.823 0.009 0.000 0.675 429 V HN 0.459 nan 8.190 nan 0.000 0.461 430 L N -0.634 120.605 121.223 0.026 0.000 2.141 430 L HA -0.160 4.172 4.340 -0.014 0.000 0.209 430 L C 2.570 179.472 176.870 0.054 0.000 1.094 430 L CA 1.270 56.135 54.840 0.041 0.000 0.763 430 L CB -0.505 41.571 42.059 0.029 0.000 0.908 430 L HN 0.348 nan 8.230 nan 0.000 0.437 431 Q N -0.225 119.605 119.800 0.050 0.000 2.378 431 Q HA -0.042 4.290 4.340 -0.014 0.000 0.205 431 Q C 2.266 178.295 176.000 0.049 0.000 0.954 431 Q CA 0.849 56.693 55.803 0.067 0.000 0.901 431 Q CB 0.193 28.977 28.738 0.076 0.000 0.981 431 Q HN 0.562 nan 8.270 nan 0.000 0.483 432 L N 0.081 121.314 121.223 0.016 0.000 2.156 432 L HA -0.168 4.164 4.340 -0.014 0.000 0.208 432 L C 2.369 179.202 176.870 -0.061 0.000 1.095 432 L CA 0.897 55.718 54.840 -0.032 0.000 0.770 432 L CB -0.217 41.806 42.059 -0.059 0.000 0.914 432 L HN 0.168 nan 8.230 nan 0.000 0.439 433 Q N -0.457 119.334 119.800 -0.016 0.000 2.061 433 Q HA -0.202 4.130 4.340 -0.014 0.000 0.204 433 Q C 2.342 178.383 176.000 0.068 0.000 0.984 433 Q CA 1.871 57.678 55.803 0.006 0.000 0.846 433 Q CB -0.217 28.568 28.738 0.078 0.000 0.902 433 Q HN 0.303 nan 8.270 nan 0.000 0.421 434 V N 0.796 120.777 119.914 0.112 0.000 2.287 434 V HA -0.350 3.762 4.120 -0.014 0.000 0.248 434 V C 2.232 178.428 176.094 0.170 0.000 1.053 434 V CA 1.853 64.262 62.300 0.183 0.000 1.027 434 V CB -1.232 30.715 31.823 0.205 0.000 0.646 434 V HN 0.483 nan 8.190 nan 0.000 0.447 435 A N -0.133 122.742 122.820 0.092 0.000 1.869 435 A HA -0.333 3.978 4.320 -0.014 0.000 0.218 435 A C 2.367 179.981 177.584 0.050 0.000 1.203 435 A CA 2.484 54.561 52.037 0.066 0.000 0.638 435 A CB -0.717 18.311 19.000 0.047 0.000 0.831 435 A HN 0.484 nan 8.150 nan 0.000 0.450 436 R N -2.181 118.276 120.500 -0.073 0.000 2.117 436 R HA -0.194 4.137 4.340 -0.014 0.000 0.243 436 R C 1.956 178.291 176.300 0.058 0.000 1.143 436 R CA 1.869 57.894 56.100 -0.125 0.000 0.968 436 R CB -0.422 29.706 30.300 -0.286 0.000 0.863 436 R HN 0.677 nan 8.270 nan 0.000 0.444 437 F N 0.598 120.522 119.950 -0.044 0.000 2.234 437 F HA -0.009 4.510 4.527 -0.014 0.000 0.296 437 F C 1.623 177.404 175.800 -0.031 0.000 1.089 437 F CA 0.999 58.982 58.000 -0.028 0.000 1.343 437 F CB -0.116 38.874 39.000 -0.016 0.000 1.040 437 F HN -0.110 nan 8.300 nan 0.000 0.498 438 L N -0.398 120.680 121.223 -0.242 0.000 2.027 438 L HA -0.233 4.099 4.340 -0.014 0.000 0.206 438 L C 2.543 179.279 176.870 -0.222 0.000 1.074 438 L CA 0.971 55.609 54.840 -0.336 0.000 0.745 438 L CB -0.718 41.243 42.059 -0.162 0.000 0.898 438 L HN 0.160 nan 8.230 nan 0.000 0.433 439 M N -0.064 119.503 119.600 -0.055 0.000 2.080 439 M HA -0.240 4.232 4.480 -0.014 0.000 0.260 439 M C 2.271 178.551 176.300 -0.034 0.000 1.068 439 M CA 1.667 56.978 55.300 0.020 0.000 1.109 439 M CB -1.088 31.638 32.600 0.211 0.000 1.342 439 M HN 0.199 nan 8.290 nan 0.000 0.405 440 K N -0.225 120.147 120.400 -0.047 0.000 2.032 440 K HA -0.162 4.150 4.320 -0.014 0.000 0.209 440 K C 1.862 178.356 176.600 -0.177 0.000 1.048 440 K CA 1.943 58.185 56.287 -0.076 0.000 0.927 440 K CB -0.056 32.421 32.500 -0.039 0.000 0.712 440 K HN 0.258 nan 8.250 nan 0.000 0.441 441 T N 1.327 115.660 114.554 -0.368 0.000 2.788 441 T HA -0.092 4.250 4.350 -0.014 0.000 0.268 441 T C 1.813 176.380 174.700 -0.221 0.000 1.044 441 T CA 1.311 63.185 62.100 -0.376 0.000 1.139 441 T CB -0.093 68.406 68.868 -0.616 0.000 0.867 441 T HN 0.190 nan 8.240 nan 0.000 0.454 442 I N 1.530 121.990 120.570 -0.184 0.000 2.163 442 I HA -0.170 3.992 4.170 -0.014 0.000 0.240 442 I C 2.726 178.797 176.117 -0.077 0.000 1.081 442 I CA 1.389 62.620 61.300 -0.115 0.000 1.353 442 I CB -0.338 37.610 38.000 -0.086 0.000 1.054 442 I HN 0.283 nan 8.210 nan 0.000 0.407 443 S N 0.087 115.749 115.700 -0.062 0.000 2.469 443 S HA -0.228 4.234 4.470 -0.014 0.000 0.238 443 S C 1.792 176.372 174.600 -0.034 0.000 0.998 443 S CA 0.987 59.164 58.200 -0.038 0.000 0.957 443 S CB -0.467 62.719 63.200 -0.024 0.000 0.764 443 S HN 0.514 nan 8.310 nan 0.000 0.514 444 Q N 0.313 120.085 119.800 -0.047 0.000 2.451 444 Q HA 0.287 4.619 4.340 -0.014 0.000 0.206 444 Q C 1.841 177.824 176.000 -0.029 0.000 0.947 444 Q CA 0.386 56.169 55.803 -0.032 0.000 0.937 444 Q CB -0.331 28.388 28.738 -0.032 0.000 1.025 444 Q HN 0.559 nan 8.270 nan 0.000 0.511 445 L N -0.372 120.828 121.223 -0.039 0.000 2.042 445 L HA -0.160 4.172 4.340 -0.014 0.000 0.210 445 L C 2.344 179.205 176.870 -0.015 0.000 1.076 445 L CA 1.282 56.104 54.840 -0.029 0.000 0.749 445 L CB -0.755 41.283 42.059 -0.035 0.000 0.893 445 L HN 0.351 nan 8.230 nan 0.000 0.432 446 G N -1.082 107.709 108.800 -0.014 0.000 2.469 446 G HA2 -0.265 3.687 3.960 -0.014 0.000 0.220 446 G HA3 -0.265 3.687 3.960 -0.014 0.000 0.220 446 G C 1.512 176.409 174.900 -0.004 0.000 1.136 446 G CA 1.388 46.484 45.100 -0.008 0.000 0.759 446 G HN 0.300 nan 8.290 nan 0.000 0.562 447 T N 0.591 115.143 114.554 -0.004 0.000 3.163 447 T HA 0.297 4.639 4.350 -0.014 0.000 0.260 447 T C 1.893 176.595 174.700 0.003 0.000 1.156 447 T CA 1.257 63.357 62.100 0.000 0.000 1.072 447 T CB -0.299 68.570 68.868 0.001 0.000 0.937 447 T HN 0.993 nan 8.240 nan 0.000 0.528 448 G N 2.090 110.890 108.800 0.001 0.000 2.162 448 G HA2 -0.296 3.655 3.960 -0.014 0.000 0.260 448 G HA3 -0.296 3.655 3.960 -0.014 0.000 0.260 448 G C 0.161 175.064 174.900 0.005 0.000 0.976 448 G CA 0.359 45.461 45.100 0.003 0.000 0.655 448 G HN 0.592 nan 8.290 nan 0.000 0.533 449 K N 1.051 121.452 120.400 0.002 0.000 2.292 449 K HA 0.560 4.872 4.320 -0.014 0.000 0.290 449 K C 0.689 177.289 176.600 0.001 0.000 1.083 449 K CA 0.381 56.672 56.287 0.006 0.000 0.918 449 K CB -0.021 32.484 32.500 0.008 0.000 1.089 449 K HN 0.456 nan 8.250 nan 0.000 0.473 450 K N 5.528 125.933 120.400 0.009 0.000 2.349 450 K HA 0.195 4.507 4.320 -0.014 0.000 0.289 450 K C -2.241 174.369 176.600 0.017 0.000 1.064 450 K CA -1.372 54.921 56.287 0.009 0.000 0.947 450 K CB -0.427 32.084 32.500 0.018 0.000 1.007 450 K HN 0.604 nan 8.250 nan 0.000 0.478 451 P HA 0.340 nan 4.420 nan 0.000 0.272 451 P C -0.088 177.246 177.300 0.057 0.000 1.223 451 P CA -0.261 62.846 63.100 0.011 0.000 0.784 451 P CB 1.011 32.676 31.700 -0.057 0.000 0.923 452 V N -2.952 117.027 119.914 0.107 0.000 3.119 452 V HA 0.832 4.943 4.120 -0.014 0.000 0.309 452 V C 0.886 177.102 176.094 0.204 0.000 1.304 452 V CA -0.103 62.283 62.300 0.142 0.000 1.057 452 V CB 0.514 32.419 31.823 0.136 0.000 1.150 452 V HN 0.895 nan 8.190 nan 0.000 0.474 453 G N 1.321 110.258 108.800 0.229 0.000 2.660 453 G HA2 -0.404 3.548 3.960 -0.014 0.000 0.338 453 G HA3 -0.404 3.548 3.960 -0.014 0.000 0.338 453 G C 1.245 176.320 174.900 0.291 0.000 1.336 453 G CA 2.500 47.778 45.100 0.296 0.000 0.990 453 G HN 2.469 nan 8.290 nan 0.000 0.537 454 T N -1.150 113.610 114.554 0.343 0.000 3.025 454 T HA 0.074 4.416 4.350 -0.014 0.000 0.270 454 T C 1.883 176.885 174.700 0.504 0.000 1.126 454 T CA 2.576 64.889 62.100 0.355 0.000 1.105 454 T CB -0.396 68.677 68.868 0.343 0.000 0.884 454 T HN 1.772 nan 8.240 nan 0.000 0.522 455 V N -0.454 119.675 119.914 0.359 0.000 3.121 455 V HA 0.451 4.563 4.120 -0.014 0.000 0.344 455 V C 2.113 178.179 176.094 -0.047 0.000 1.390 455 V CA 0.106 62.460 62.300 0.091 0.000 1.177 455 V CB -0.503 31.307 31.823 -0.022 0.000 1.163 455 V HN 0.467 nan 8.190 nan 0.000 0.484 456 S N 1.528 117.305 115.700 0.128 0.000 2.423 456 S HA -0.233 4.229 4.470 -0.014 0.000 0.231 456 S C 1.949 176.601 174.600 0.087 0.000 1.014 456 S CA 1.429 59.686 58.200 0.094 0.000 0.965 456 S CB -0.862 62.420 63.200 0.136 0.000 0.785 456 S HN 0.940 nan 8.310 nan 0.000 0.495 457 Y N 1.112 121.471 120.300 0.099 0.000 2.256 457 Y HA 0.017 4.560 4.550 -0.013 0.000 0.288 457 Y C 2.212 178.158 175.900 0.077 0.000 1.155 457 Y CA 1.238 59.391 58.100 0.089 0.000 1.203 457 Y CB -0.795 37.727 38.460 0.104 0.000 0.980 457 Y HN 0.185 nan 8.280 nan 0.000 0.530 458 M N 0.925 120.202 119.600 -0.539 0.000 2.549 458 M HA -0.025 4.447 4.480 -0.014 0.000 0.260 458 M C 1.990 178.217 176.300 -0.122 0.000 1.076 458 M CA 1.217 56.306 55.300 -0.350 0.000 1.090 458 M CB -0.762 31.556 32.600 -0.470 0.000 1.418 458 M HN 0.615 nan 8.290 nan 0.000 0.486 459 G N 0.744 109.505 108.800 -0.065 0.000 2.744 459 G HA2 -0.090 3.862 3.960 -0.014 0.000 0.211 459 G HA3 -0.090 3.862 3.960 -0.014 0.000 0.211 459 G C 1.214 176.130 174.900 0.027 0.000 1.143 459 G CA -0.035 45.057 45.100 -0.012 0.000 0.788 459 G HN 0.468 nan 8.290 nan 0.000 0.534 460 R N -0.364 120.173 120.500 0.062 0.000 2.748 460 R HA 0.354 4.686 4.340 -0.014 0.000 0.395 460 R C 1.845 178.233 176.300 0.146 0.000 1.128 460 R CA 0.183 56.345 56.100 0.102 0.000 1.042 460 R CB -0.060 30.305 30.300 0.109 0.000 1.392 460 R HN 0.210 nan 8.270 nan 0.000 0.582 461 I N 1.125 121.753 120.570 0.098 0.000 2.179 461 I HA -0.210 3.952 4.170 -0.014 0.000 0.242 461 I C 2.553 178.729 176.117 0.099 0.000 1.088 461 I CA 2.530 63.887 61.300 0.094 0.000 1.357 461 I CB -1.391 36.638 38.000 0.047 0.000 1.051 461 I HN 0.494 nan 8.210 nan 0.000 0.409 462 E N 0.188 120.442 120.200 0.090 0.000 2.108 462 E HA -0.393 3.949 4.350 -0.014 0.000 0.203 462 E C 2.196 178.861 176.600 0.109 0.000 1.022 462 E CA 2.065 58.515 56.400 0.084 0.000 0.823 462 E CB -1.578 28.168 29.700 0.077 0.000 0.744 462 E HN 0.964 nan 8.360 nan 0.000 0.456 463 H N 0.070 119.172 119.070 0.054 0.000 2.261 463 H HA 0.048 4.595 4.556 -0.015 0.000 0.301 463 H C 2.482 177.862 175.328 0.085 0.000 1.067 463 H CA 1.640 57.728 56.048 0.066 0.000 1.297 463 H CB -0.287 29.515 29.762 0.067 0.000 1.377 463 H HN 0.368 nan 8.280 nan 0.000 0.492 464 L N 0.417 121.700 121.223 0.101 0.000 2.189 464 L HA -0.224 4.107 4.340 -0.014 0.000 0.214 464 L C 2.795 179.674 176.870 0.015 0.000 1.097 464 L CA 0.710 55.579 54.840 0.049 0.000 0.764 464 L CB -0.297 41.856 42.059 0.155 0.000 0.900 464 L HN 0.336 nan 8.230 nan 0.000 0.436 465 M N -0.370 119.246 119.600 0.026 0.000 2.374 465 M HA -0.161 4.310 4.480 -0.014 0.000 0.264 465 M C 1.814 178.123 176.300 0.014 0.000 1.067 465 M CA 1.494 56.810 55.300 0.026 0.000 1.103 465 M CB -0.645 31.972 32.600 0.029 0.000 1.402 465 M HN 0.433 nan 8.290 nan 0.000 0.444 466 Q N -1.228 118.556 119.800 -0.026 0.000 2.164 466 Q HA 0.162 4.494 4.340 -0.014 0.000 0.226 466 Q C 0.673 176.639 176.000 -0.055 0.000 0.813 466 Q CA -0.276 55.511 55.803 -0.027 0.000 0.978 466 Q CB -0.890 27.836 28.738 -0.019 0.000 1.149 466 Q HN 0.485 nan 8.270 nan 0.000 0.489 467 C N 0.577 119.820 119.300 -0.094 0.000 2.553 467 C HA 0.778 5.230 4.460 -0.014 0.000 0.345 467 C C 0.091 175.086 174.990 0.009 0.000 1.369 467 C CA -0.910 58.069 59.018 -0.066 0.000 2.447 467 C CB 0.478 28.136 27.740 -0.137 0.000 2.358 467 C HN 0.417 nan 8.230 nan 0.000 0.676 468 R N 0.651 121.072 120.500 -0.132 0.000 2.621 468 R HA 0.470 4.802 4.340 -0.014 0.000 0.284 468 R C -0.384 175.549 176.300 -0.612 0.000 0.998 468 R CA -0.144 55.729 56.100 -0.378 0.000 0.895 468 R CB 1.925 32.097 30.300 -0.212 0.000 1.195 468 R HN 0.952 nan 8.270 nan 0.000 0.450 469 S N 0.895 115.861 115.700 -1.224 0.000 2.560 469 S HA -0.079 4.382 4.470 -0.014 0.000 0.276 469 S C 0.467 174.848 174.600 -0.367 0.000 1.350 469 S CA 0.226 57.992 58.200 -0.723 0.000 1.024 469 S CB 0.323 63.159 63.200 -0.606 0.000 0.864 469 S HN 0.658 nan 8.310 nan 0.000 0.536 470 D N 2.134 122.370 120.400 -0.272 0.000 2.623 470 D HA 0.147 4.778 4.640 -0.014 0.000 0.252 470 D C -0.121 176.031 176.300 -0.247 0.000 1.294 470 D CA -0.387 53.488 54.000 -0.209 0.000 0.824 470 D CB -0.496 40.226 40.800 -0.131 0.000 1.070 470 D HN 0.249 nan 8.370 nan 0.000 0.487 471 V N 0.678 120.367 119.914 -0.374 0.000 2.529 471 V HA 0.365 4.477 4.120 -0.014 0.000 0.292 471 V C 1.567 177.510 176.094 -0.250 0.000 1.028 471 V CA 1.055 63.085 62.300 -0.449 0.000 1.074 471 V CB 0.603 31.906 31.823 -0.866 0.000 0.958 471 V HN 0.509 nan 8.190 nan 0.000 0.481 472 K N 3.805 124.091 120.400 -0.189 0.000 2.436 472 K HA 0.309 4.621 4.320 -0.014 0.000 0.198 472 K C 0.674 177.230 176.600 -0.072 0.000 1.174 472 K CA 0.283 56.506 56.287 -0.107 0.000 0.951 472 K CB 0.304 32.753 32.500 -0.085 0.000 1.040 472 K HN 0.779 nan 8.250 nan 0.000 0.536 473 Q N -1.479 118.273 119.800 -0.080 0.000 2.423 473 Q HA 0.686 5.018 4.340 -0.014 0.000 0.278 473 Q C 0.894 176.893 176.000 -0.002 0.000 1.097 473 Q CA -0.227 55.559 55.803 -0.028 0.000 0.809 473 Q CB 2.140 30.866 28.738 -0.020 0.000 1.391 473 Q HN 0.122 nan 8.270 nan 0.000 0.428 474 A N 1.612 124.472 122.820 0.068 0.000 1.927 474 A HA -0.332 3.979 4.320 -0.014 0.000 0.220 474 A C 2.143 179.815 177.584 0.146 0.000 1.185 474 A CA 2.706 54.839 52.037 0.160 0.000 0.639 474 A CB -1.286 17.780 19.000 0.111 0.000 0.820 474 A HN 0.942 nan 8.150 nan 0.000 0.451 475 E N 0.221 120.461 120.200 0.067 0.000 2.118 475 E HA -0.273 4.069 4.350 -0.014 0.000 0.195 475 E C 1.544 178.167 176.600 0.038 0.000 0.992 475 E CA 1.607 58.038 56.400 0.052 0.000 0.804 475 E CB -1.031 28.683 29.700 0.023 0.000 0.741 475 E HN 0.722 nan 8.360 nan 0.000 0.458 476 D N -0.429 119.955 120.400 -0.025 0.000 2.158 476 D HA -0.179 4.453 4.640 -0.014 0.000 0.197 476 D C 1.555 177.811 176.300 -0.074 0.000 0.995 476 D CA 1.114 55.055 54.000 -0.098 0.000 0.846 476 D CB -0.641 40.029 40.800 -0.217 0.000 0.941 476 D HN 0.786 nan 8.370 nan 0.000 0.456 477 W N 0.922 122.219 121.300 -0.005 0.000 2.632 477 W HA -0.012 4.645 4.660 -0.005 0.000 0.248 477 W C 2.020 178.538 176.519 -0.001 0.000 1.259 477 W CA -0.065 57.278 57.345 -0.002 0.000 1.288 477 W CB -0.172 29.276 29.460 -0.020 0.000 1.136 477 W HN 0.012 nan 8.180 nan 0.000 0.640 478 L N 0.429 121.764 121.223 0.186 0.000 2.270 478 L HA 0.031 4.363 4.340 -0.014 0.000 0.210 478 L C 1.851 178.768 176.870 0.078 0.000 1.104 478 L CA 0.479 55.384 54.840 0.108 0.000 0.804 478 L CB -1.170 40.927 42.059 0.063 0.000 0.937 478 L HN -0.228 nan 8.230 nan 0.000 0.450 479 K N 0.901 121.338 120.400 0.060 0.000 2.339 479 K HA 0.191 4.502 4.320 -0.014 0.000 0.286 479 K C -1.947 174.689 176.600 0.060 0.000 1.050 479 K CA -1.202 55.107 56.287 0.037 0.000 0.956 479 K CB -0.356 32.147 32.500 0.006 0.000 0.990 479 K HN -0.112 nan 8.250 nan 0.000 0.475 480 P HA -0.253 nan 4.420 nan 0.000 0.215 480 P C 1.691 179.037 177.300 0.078 0.000 1.153 480 P CA 1.989 65.126 63.100 0.062 0.000 0.853 480 P CB 0.253 31.974 31.700 0.036 0.000 0.788 481 S N -0.478 115.258 115.700 0.060 0.000 2.400 481 S HA -0.164 4.298 4.470 -0.014 0.000 0.232 481 S C 2.073 176.734 174.600 0.100 0.000 1.025 481 S CA 1.249 59.491 58.200 0.069 0.000 0.993 481 S CB -1.414 61.815 63.200 0.048 0.000 0.808 481 S HN 0.140 nan 8.310 nan 0.000 0.478 482 A N 1.328 124.199 122.820 0.086 0.000 1.898 482 A HA 0.099 4.411 4.320 -0.014 0.000 0.216 482 A C 2.432 180.167 177.584 0.252 0.000 1.181 482 A CA 1.616 53.703 52.037 0.083 0.000 0.620 482 A CB -1.004 17.951 19.000 -0.075 0.000 0.819 482 A HN 0.457 nan 8.150 nan 0.000 0.442 483 V N -0.430 119.671 119.914 0.312 0.000 2.407 483 V HA -0.150 3.962 4.120 -0.014 0.000 0.245 483 V C 2.457 178.807 176.094 0.428 0.000 1.041 483 V CA 1.698 64.275 62.300 0.460 0.000 1.040 483 V CB -0.560 31.485 31.823 0.369 0.000 0.671 483 V HN 0.584 nan 8.190 nan 0.000 0.455 484 L N 0.556 121.930 121.223 0.252 0.000 2.017 484 L HA -0.183 4.148 4.340 -0.014 0.000 0.208 484 L C 2.404 179.380 176.870 0.177 0.000 1.073 484 L CA 2.389 57.338 54.840 0.181 0.000 0.745 484 L CB -0.812 41.302 42.059 0.091 0.000 0.894 484 L HN 0.445 nan 8.230 nan 0.000 0.432 485 E N -0.689 119.606 120.200 0.157 0.000 2.085 485 E HA -0.247 4.095 4.350 -0.014 0.000 0.194 485 E C 2.067 178.633 176.600 -0.058 0.000 0.994 485 E CA 1.151 57.611 56.400 0.100 0.000 0.801 485 E CB -0.181 29.626 29.700 0.179 0.000 0.743 485 E HN 0.635 nan 8.360 nan 0.000 0.453 486 A N 0.077 122.934 122.820 0.060 0.000 1.933 486 A HA -0.154 4.157 4.320 -0.014 0.000 0.218 486 A C 1.839 179.404 177.584 -0.031 0.000 1.175 486 A CA 1.147 53.127 52.037 -0.095 0.000 0.628 486 A CB -0.718 18.511 19.000 0.381 0.000 0.814 486 A HN 0.342 nan 8.150 nan 0.000 0.444 487 F N -0.047 119.959 119.950 0.093 0.000 2.293 487 F HA -0.017 4.501 4.527 -0.015 0.000 0.297 487 F C 2.423 178.150 175.800 -0.123 0.000 1.089 487 F CA 1.443 59.489 58.000 0.076 0.000 1.377 487 F CB -0.140 38.897 39.000 0.063 0.000 1.051 487 F HN 0.289 nan 8.300 nan 0.000 0.511 488 E N 0.133 120.321 120.200 -0.019 0.000 2.051 488 E HA -0.201 4.140 4.350 -0.014 0.000 0.192 488 E C 2.433 178.972 176.600 -0.101 0.000 0.991 488 E CA 1.030 57.322 56.400 -0.180 0.000 0.799 488 E CB -0.328 29.323 29.700 -0.082 0.000 0.748 488 E HN 0.356 nan 8.360 nan 0.000 0.449 489 A N 1.956 124.669 122.820 -0.179 0.000 1.851 489 A HA -0.247 4.065 4.320 -0.014 0.000 0.216 489 A C 2.138 179.629 177.584 -0.154 0.000 1.195 489 A CA 1.723 53.636 52.037 -0.207 0.000 0.622 489 A CB -0.654 18.000 19.000 -0.576 0.000 0.831 489 A HN 0.119 nan 8.150 nan 0.000 0.444 490 R N -0.282 120.069 120.500 -0.249 0.000 2.134 490 R HA -0.208 4.124 4.340 -0.014 0.000 0.248 490 R C 2.481 178.671 176.300 -0.184 0.000 1.143 490 R CA 2.357 58.261 56.100 -0.326 0.000 0.957 490 R CB -0.568 29.300 30.300 -0.720 0.000 0.867 490 R HN 0.530 nan 8.270 nan 0.000 0.441 491 S N -0.496 115.148 115.700 -0.094 0.000 2.345 491 S HA -0.069 4.393 4.470 -0.014 0.000 0.219 491 S C 2.049 176.735 174.600 0.143 0.000 1.031 491 S CA 1.174 59.400 58.200 0.043 0.000 0.984 491 S CB -0.276 62.981 63.200 0.096 0.000 0.874 491 S HN 0.545 nan 8.310 nan 0.000 0.451 492 A N 1.877 124.825 122.820 0.214 0.000 1.859 492 A HA -0.184 4.128 4.320 -0.014 0.000 0.217 492 A C 2.225 179.858 177.584 0.082 0.000 1.198 492 A CA 2.012 54.167 52.037 0.196 0.000 0.629 492 A CB -0.892 18.231 19.000 0.204 0.000 0.830 492 A HN 0.629 nan 8.150 nan 0.000 0.446 493 R N -1.271 119.251 120.500 0.037 0.000 2.083 493 R HA -0.101 4.231 4.340 -0.014 0.000 0.237 493 R C 2.381 178.684 176.300 0.005 0.000 1.137 493 R CA 1.992 58.100 56.100 0.014 0.000 0.951 493 R CB -0.404 29.894 30.300 -0.004 0.000 0.851 493 R HN 0.601 nan 8.270 nan 0.000 0.434 494 M N -0.380 119.213 119.600 -0.012 0.000 2.117 494 M HA -0.165 4.307 4.480 -0.014 0.000 0.262 494 M C 2.274 178.586 176.300 0.020 0.000 1.065 494 M CA 1.549 56.844 55.300 -0.009 0.000 1.114 494 M CB -0.074 32.504 32.600 -0.036 0.000 1.361 494 M HN 0.089 nan 8.290 nan 0.000 0.408 495 S N -0.072 115.651 115.700 0.038 0.000 2.368 495 S HA -0.114 4.347 4.470 -0.014 0.000 0.225 495 S C 1.913 176.525 174.600 0.020 0.000 1.030 495 S CA 1.161 59.382 58.200 0.035 0.000 0.999 495 S CB -0.306 62.914 63.200 0.034 0.000 0.844 495 S HN 0.241 nan 8.310 nan 0.000 0.459 496 V N 1.945 121.871 119.914 0.020 0.000 2.287 496 V HA -0.238 3.874 4.120 -0.014 0.000 0.248 496 V C 2.626 178.728 176.094 0.013 0.000 1.053 496 V CA 1.806 64.113 62.300 0.012 0.000 1.027 496 V CB -1.150 30.682 31.823 0.016 0.000 0.646 496 V HN 0.547 nan 8.190 nan 0.000 0.447 497 A N -1.369 121.460 122.820 0.015 0.000 1.940 497 A HA -0.277 4.034 4.320 -0.014 0.000 0.219 497 A C 2.346 179.944 177.584 0.024 0.000 1.176 497 A CA 2.256 54.303 52.037 0.016 0.000 0.631 497 A CB -1.093 17.915 19.000 0.013 0.000 0.814 497 A HN 0.602 nan 8.150 nan 0.000 0.446 498 C N -1.295 118.023 119.300 0.029 0.000 2.453 498 C HA 0.080 4.532 4.460 -0.014 0.000 0.277 498 C C 3.336 178.343 174.990 0.028 0.000 1.262 498 C CA 0.846 59.888 59.018 0.040 0.000 1.718 498 C CB -1.228 26.545 27.740 0.055 0.000 2.031 498 C HN 0.711 nan 8.230 nan 0.000 0.480 499 A N 0.232 123.061 122.820 0.015 0.000 1.930 499 A HA -0.170 4.142 4.320 -0.014 0.000 0.217 499 A C 2.100 179.683 177.584 -0.001 0.000 1.175 499 A CA 1.563 53.599 52.037 -0.002 0.000 0.627 499 A CB -0.382 18.612 19.000 -0.010 0.000 0.815 499 A HN 0.692 nan 8.150 nan 0.000 0.443 500 K N -0.283 120.121 120.400 0.005 0.000 2.025 500 K HA -0.078 4.234 4.320 -0.014 0.000 0.207 500 K C 1.878 178.485 176.600 0.013 0.000 1.049 500 K CA 1.507 57.796 56.287 0.003 0.000 0.933 500 K CB -0.263 32.238 32.500 0.002 0.000 0.714 500 K HN 0.570 nan 8.250 nan 0.000 0.438 501 N N 0.507 119.225 118.700 0.030 0.000 2.223 501 N HA -0.148 4.584 4.740 -0.014 0.000 0.185 501 N C 1.662 177.247 175.510 0.126 0.000 1.016 501 N CA 0.499 53.584 53.050 0.059 0.000 0.863 501 N CB 0.054 38.587 38.487 0.075 0.000 0.983 501 N HN 0.033 nan 8.380 nan 0.000 0.429 502 L N 0.895 122.175 121.223 0.095 0.000 2.131 502 L HA 0.001 4.333 4.340 -0.014 0.000 0.206 502 L C 2.021 178.965 176.870 0.123 0.000 1.087 502 L CA 1.523 56.420 54.840 0.095 0.000 0.767 502 L CB -0.844 41.151 42.059 -0.107 0.000 0.917 502 L HN 0.038 nan 8.230 nan 0.000 0.441 503 S N -1.563 114.159 115.700 0.037 0.000 2.595 503 S HA -0.090 4.372 4.470 -0.014 0.000 0.235 503 S C 1.635 176.242 174.600 0.011 0.000 0.974 503 S CA 0.621 58.829 58.200 0.014 0.000 0.942 503 S CB -0.604 62.589 63.200 -0.012 0.000 0.766 503 S HN 0.565 nan 8.310 nan 0.000 0.536 504 K N -0.002 120.394 120.400 -0.008 0.000 2.400 504 K HA 0.265 4.577 4.320 -0.014 0.000 0.194 504 K C -0.551 175.919 176.600 -0.217 0.000 1.033 504 K CA 0.062 56.261 56.287 -0.146 0.000 1.021 504 K CB 0.024 32.366 32.500 -0.262 0.000 0.808 504 K HN 0.390 nan 8.250 nan 0.000 0.505 505 F N 1.444 121.354 119.950 -0.067 0.000 2.445 505 F HA 0.093 4.612 4.527 -0.014 0.000 0.359 505 F C 1.854 177.618 175.800 -0.060 0.000 1.101 505 F CA -0.199 57.763 58.000 -0.063 0.000 1.177 505 F CB 0.734 39.684 39.000 -0.082 0.000 1.110 505 F HN 0.133 nan 8.300 nan 0.000 0.522 506 E N 2.546 122.808 120.200 0.103 0.000 2.058 506 E HA -0.251 4.091 4.350 -0.014 0.000 0.194 506 E C 0.834 177.471 176.600 0.062 0.000 0.997 506 E CA 1.690 58.124 56.400 0.056 0.000 0.801 506 E CB -0.513 29.206 29.700 0.032 0.000 0.746 506 E HN 0.539 nan 8.360 nan 0.000 0.450 507 N N 0.044 118.795 118.700 0.085 0.000 2.419 507 N HA 0.103 4.835 4.740 -0.014 0.000 0.264 507 N C 0.498 176.012 175.510 0.006 0.000 1.031 507 N CA 0.224 53.300 53.050 0.044 0.000 0.951 507 N CB 1.460 39.973 38.487 0.042 0.000 1.101 507 N HN 0.361 nan 8.380 nan 0.000 0.488 508 Q N 2.081 121.858 119.800 -0.037 0.000 2.172 508 Q HA -0.102 4.229 4.340 -0.014 0.000 0.200 508 Q C 0.614 176.510 176.000 -0.174 0.000 0.964 508 Q CA 1.138 56.849 55.803 -0.153 0.000 0.855 508 Q CB 0.203 28.865 28.738 -0.126 0.000 0.918 508 Q HN 0.607 nan 8.270 nan 0.000 0.444 509 E N 0.990 121.177 120.200 -0.022 0.000 2.072 509 E HA -0.196 4.145 4.350 -0.014 0.000 0.191 509 E C 1.535 178.109 176.600 -0.043 0.000 0.985 509 E CA 1.184 57.615 56.400 0.052 0.000 0.801 509 E CB -0.055 29.680 29.700 0.058 0.000 0.750 509 E HN 0.452 nan 8.360 nan 0.000 0.452 510 E N -0.710 119.431 120.200 -0.098 0.000 2.058 510 E HA -0.174 4.168 4.350 -0.014 0.000 0.194 510 E C 1.981 178.274 176.600 -0.512 0.000 0.997 510 E CA 1.324 57.622 56.400 -0.170 0.000 0.801 510 E CB -0.366 29.310 29.700 -0.041 0.000 0.746 510 E HN 0.325 nan 8.360 nan 0.000 0.450 511 G N -0.100 108.207 108.800 -0.822 0.000 2.402 511 G HA2 -0.239 3.712 3.960 -0.014 0.000 0.216 511 G HA3 -0.239 3.712 3.960 -0.014 0.000 0.216 511 G C 1.354 175.837 174.900 -0.695 0.000 1.162 511 G CA 0.506 44.742 45.100 -1.440 0.000 0.777 511 G HN 0.283 nan 8.290 nan 0.000 0.539 512 F N 1.549 121.313 119.950 -0.310 0.000 2.216 512 F HA -0.016 4.503 4.527 -0.014 0.000 0.300 512 F C 3.034 178.737 175.800 -0.161 0.000 1.085 512 F CA 0.543 58.439 58.000 -0.174 0.000 1.326 512 F CB 0.126 39.067 39.000 -0.098 0.000 1.027 512 F HN 0.258 nan 8.300 nan 0.000 0.497 513 A N -0.063 122.750 122.820 -0.012 0.000 1.841 513 A HA -0.223 4.088 4.320 -0.014 0.000 0.214 513 A C 1.944 179.495 177.584 -0.055 0.000 1.195 513 A CA 1.805 53.828 52.037 -0.022 0.000 0.611 513 A CB -0.815 18.161 19.000 -0.039 0.000 0.835 513 A HN 0.289 nan 8.150 nan 0.000 0.443 514 E N -0.130 119.976 120.200 -0.157 0.000 2.153 514 E HA -0.071 4.271 4.350 -0.014 0.000 0.194 514 E C 1.386 177.971 176.600 -0.027 0.000 0.988 514 E CA 0.986 57.333 56.400 -0.087 0.000 0.811 514 E CB -0.216 29.425 29.700 -0.098 0.000 0.746 514 E HN 0.574 nan 8.360 nan 0.000 0.466 515 L N -0.601 120.588 121.223 -0.056 0.000 2.700 515 L HA 0.336 4.667 4.340 -0.014 0.000 0.234 515 L C 1.852 178.758 176.870 0.059 0.000 1.156 515 L CA 0.216 55.070 54.840 0.024 0.000 0.946 515 L CB 0.003 42.077 42.059 0.025 0.000 1.216 515 L HN 0.114 nan 8.230 nan 0.000 0.493 516 A N 0.967 123.820 122.820 0.054 0.000 1.927 516 A HA -0.279 4.032 4.320 -0.014 0.000 0.220 516 A C 2.538 180.157 177.584 0.060 0.000 1.185 516 A CA 2.188 54.264 52.037 0.065 0.000 0.639 516 A CB -0.369 18.658 19.000 0.045 0.000 0.820 516 A HN 0.442 nan 8.150 nan 0.000 0.451 517 A N -0.107 122.745 122.820 0.053 0.000 1.929 517 A HA -0.084 4.228 4.320 -0.014 0.000 0.216 517 A C 1.651 179.270 177.584 0.059 0.000 1.176 517 A CA 1.773 53.842 52.037 0.053 0.000 0.628 517 A CB -0.473 18.556 19.000 0.048 0.000 0.816 517 A HN 0.503 nan 8.150 nan 0.000 0.444 518 D N 0.203 120.639 120.400 0.060 0.000 2.194 518 D HA -0.035 4.596 4.640 -0.014 0.000 0.204 518 D C 1.819 178.159 176.300 0.066 0.000 0.964 518 D CA 0.590 54.625 54.000 0.059 0.000 0.846 518 D CB -0.408 40.426 40.800 0.056 0.000 0.962 518 D HN 0.421 nan 8.370 nan 0.000 0.490 519 L N 0.510 121.782 121.223 0.082 0.000 2.012 519 L HA -0.178 4.154 4.340 -0.014 0.000 0.210 519 L C 2.404 179.323 176.870 0.081 0.000 1.073 519 L CA 0.868 55.766 54.840 0.096 0.000 0.748 519 L CB -0.503 41.636 42.059 0.133 0.000 0.891 519 L HN -0.018 nan 8.230 nan 0.000 0.431 520 V N -0.496 119.461 119.914 0.072 0.000 2.287 520 V HA -0.303 3.808 4.120 -0.014 0.000 0.248 520 V C 2.345 178.483 176.094 0.073 0.000 1.053 520 V CA 1.943 64.287 62.300 0.072 0.000 1.027 520 V CB -0.633 31.230 31.823 0.066 0.000 0.646 520 V HN 0.441 nan 8.190 nan 0.000 0.447 521 E N 0.157 120.396 120.200 0.066 0.000 2.085 521 E HA -0.236 4.106 4.350 -0.014 0.000 0.194 521 E C 2.329 178.949 176.600 0.032 0.000 0.994 521 E CA 1.431 57.862 56.400 0.052 0.000 0.801 521 E CB -0.338 29.392 29.700 0.051 0.000 0.743 521 E HN 0.619 nan 8.360 nan 0.000 0.453 522 A N 1.392 124.241 122.820 0.048 0.000 1.845 522 A HA -0.155 4.156 4.320 -0.014 0.000 0.215 522 A C 2.441 180.088 177.584 0.105 0.000 1.195 522 A CA 1.841 53.913 52.037 0.058 0.000 0.616 522 A CB -0.994 18.044 19.000 0.064 0.000 0.832 522 A HN 0.325 nan 8.150 nan 0.000 0.443 523 A N -0.540 122.351 122.820 0.118 0.000 1.940 523 A HA -0.159 4.153 4.320 -0.014 0.000 0.221 523 A C 2.262 179.953 177.584 0.178 0.000 1.190 523 A CA 2.351 54.488 52.037 0.167 0.000 0.647 523 A CB -1.238 17.845 19.000 0.138 0.000 0.821 523 A HN 0.514 nan 8.150 nan 0.000 0.457 524 V N -0.349 119.633 119.914 0.113 0.000 2.255 524 V HA -0.275 3.837 4.120 -0.014 0.000 0.247 524 V C 3.074 179.212 176.094 0.074 0.000 1.051 524 V CA 2.137 64.491 62.300 0.089 0.000 1.018 524 V CB -1.454 30.404 31.823 0.059 0.000 0.641 524 V HN 0.675 nan 8.190 nan 0.000 0.445 525 A N -0.290 122.546 122.820 0.026 0.000 1.917 525 A HA -0.360 3.952 4.320 -0.014 0.000 0.219 525 A C 2.121 179.785 177.584 0.132 0.000 1.182 525 A CA 2.671 54.716 52.037 0.015 0.000 0.633 525 A CB -0.962 18.000 19.000 -0.063 0.000 0.819 525 A HN 0.806 nan 8.150 nan 0.000 0.448 526 H N -0.686 118.442 119.070 0.097 0.000 2.319 526 H HA -0.171 4.377 4.556 -0.014 0.000 0.299 526 H C 2.025 177.438 175.328 0.142 0.000 1.092 526 H CA 2.257 58.395 56.048 0.150 0.000 1.302 526 H CB -0.719 29.177 29.762 0.224 0.000 1.373 526 H HN 0.436 nan 8.280 nan 0.000 0.497 527 C N 0.659 119.983 119.300 0.039 0.000 2.429 527 C HA -0.139 4.312 4.460 -0.014 0.000 0.277 527 C C 2.672 177.676 174.990 0.024 0.000 1.262 527 C CA 1.228 60.237 59.018 -0.014 0.000 1.733 527 C CB -0.921 26.871 27.740 0.087 0.000 2.010 527 C HN 0.693 nan 8.230 nan 0.000 0.483 528 Q N 0.028 119.894 119.800 0.109 0.000 2.135 528 Q HA -0.216 4.116 4.340 -0.014 0.000 0.204 528 Q C 2.187 178.228 176.000 0.068 0.000 0.981 528 Q CA 1.401 57.317 55.803 0.189 0.000 0.856 528 Q CB -0.303 28.593 28.738 0.263 0.000 0.902 528 Q HN 0.682 nan 8.270 nan 0.000 0.425 529 L N 0.164 121.400 121.223 0.022 0.000 2.109 529 L HA -0.097 4.235 4.340 -0.014 0.000 0.207 529 L C 1.860 178.630 176.870 -0.168 0.000 1.086 529 L CA 1.449 56.241 54.840 -0.080 0.000 0.760 529 L CB -0.226 41.780 42.059 -0.087 0.000 0.910 529 L HN 0.155 nan 8.230 nan 0.000 0.437 530 I N -1.296 119.154 120.570 -0.199 0.000 2.179 530 I HA -0.274 3.888 4.170 -0.014 0.000 0.242 530 I C 2.345 178.369 176.117 -0.155 0.000 1.088 530 I CA 1.306 62.474 61.300 -0.220 0.000 1.357 530 I CB -0.466 37.400 38.000 -0.222 0.000 1.051 530 I HN 0.107 nan 8.210 nan 0.000 0.409 531 V N 0.431 120.321 119.914 -0.039 0.000 2.237 531 V HA -0.255 3.857 4.120 -0.014 0.000 0.245 531 V C 2.462 178.565 176.094 0.014 0.000 1.046 531 V CA 1.774 64.095 62.300 0.036 0.000 1.007 531 V CB -0.560 31.366 31.823 0.172 0.000 0.638 531 V HN 0.226 nan 8.190 nan 0.000 0.445 532 V N 1.094 120.991 119.914 -0.029 0.000 2.287 532 V HA -0.262 3.849 4.120 -0.014 0.000 0.248 532 V C 2.740 178.789 176.094 -0.076 0.000 1.053 532 V CA 2.486 64.726 62.300 -0.099 0.000 1.027 532 V CB -0.938 30.603 31.823 -0.471 0.000 0.646 532 V HN 0.777 nan 8.190 nan 0.000 0.447 533 S N -0.702 114.919 115.700 -0.131 0.000 2.474 533 S HA -0.143 4.319 4.470 -0.014 0.000 0.235 533 S C 1.838 176.356 174.600 -0.136 0.000 0.997 533 S CA 0.824 58.952 58.200 -0.120 0.000 0.949 533 S CB -0.221 62.893 63.200 -0.143 0.000 0.766 533 S HN 0.502 nan 8.310 nan 0.000 0.517 534 K N 0.230 120.536 120.400 -0.157 0.000 2.262 534 K HA 0.161 4.473 4.320 -0.014 0.000 0.200 534 K C 1.643 178.227 176.600 -0.026 0.000 1.049 534 K CA 0.636 56.803 56.287 -0.199 0.000 0.979 534 K CB -0.636 31.689 32.500 -0.291 0.000 0.773 534 K HN 0.624 nan 8.250 nan 0.000 0.474 535 Y N 1.427 121.695 120.300 -0.054 0.000 2.181 535 Y HA -0.141 4.402 4.550 -0.011 0.000 0.288 535 Y C 2.083 177.956 175.900 -0.045 0.000 1.146 535 Y CA 0.988 59.097 58.100 0.015 0.000 1.164 535 Y CB 0.034 38.520 38.460 0.043 0.000 0.982 535 Y HN -0.115 nan 8.280 nan 0.000 0.515 536 I N -0.094 120.577 120.570 0.167 0.000 2.315 536 I HA -0.264 3.898 4.170 -0.014 0.000 0.248 536 I C 2.150 178.275 176.117 0.013 0.000 1.117 536 I CA 1.339 62.683 61.300 0.074 0.000 1.404 536 I CB -0.364 37.648 38.000 0.020 0.000 1.071 536 I HN 0.295 nan 8.210 nan 0.000 0.419 537 E N 0.798 120.976 120.200 -0.037 0.000 2.106 537 E HA -0.267 4.074 4.350 -0.014 0.000 0.192 537 E C 2.055 178.595 176.600 -0.100 0.000 0.984 537 E CA 0.977 57.327 56.400 -0.084 0.000 0.806 537 E CB 0.043 29.659 29.700 -0.140 0.000 0.750 537 E HN 0.149 nan 8.360 nan 0.000 0.458 538 K N 1.345 121.668 120.400 -0.127 0.000 2.063 538 K HA -0.127 4.185 4.320 -0.014 0.000 0.208 538 K C 1.834 178.320 176.600 -0.189 0.000 1.048 538 K CA 1.156 57.300 56.287 -0.238 0.000 0.928 538 K CB -0.400 31.821 32.500 -0.465 0.000 0.713 538 K HN 0.102 nan 8.250 nan 0.000 0.442 539 L N 0.305 121.481 121.223 -0.078 0.000 2.362 539 L HA -0.145 4.187 4.340 -0.014 0.000 0.219 539 L C 2.036 178.880 176.870 -0.044 0.000 1.134 539 L CA 1.058 55.878 54.840 -0.034 0.000 0.807 539 L CB -0.354 41.731 42.059 0.044 0.000 0.927 539 L HN 0.298 nan 8.230 nan 0.000 0.447 540 Q N -0.677 119.092 119.800 -0.052 0.000 2.432 540 Q HA -0.007 4.324 4.340 -0.014 0.000 0.205 540 Q C 0.595 176.561 176.000 -0.057 0.000 0.945 540 Q CA 0.142 55.916 55.803 -0.047 0.000 0.924 540 Q CB 0.202 28.913 28.738 -0.045 0.000 1.016 540 Q HN 0.536 nan 8.270 nan 0.000 0.503 541 Q N 0.473 120.225 119.800 -0.079 0.000 2.651 541 Q HA -0.044 4.288 4.340 -0.014 0.000 0.224 541 Q C 0.878 176.843 176.000 -0.059 0.000 1.094 541 Q CA 0.415 56.172 55.803 -0.077 0.000 1.018 541 Q CB 0.396 29.071 28.738 -0.104 0.000 1.292 541 Q HN 0.362 nan 8.270 nan 0.000 0.588 542 N N 0.394 119.066 118.700 -0.047 0.000 2.073 542 N HA -0.112 4.620 4.740 -0.014 0.000 0.190 542 N C -0.504 174.985 175.510 -0.036 0.000 1.075 542 N CA 0.495 53.525 53.050 -0.033 0.000 0.866 542 N CB -0.031 38.442 38.487 -0.022 0.000 1.051 542 N HN 0.572 nan 8.380 nan 0.000 0.437 543 I N -0.528 120.022 120.570 -0.033 0.000 6.895 543 I HA -0.131 4.031 4.170 -0.014 0.000 0.126 543 I C -2.595 173.516 176.117 -0.010 0.000 1.832 543 I CA -0.628 60.655 61.300 -0.028 0.000 2.037 543 I CB -1.291 36.682 38.000 -0.045 0.000 3.561 543 I HN 0.415 nan 8.210 nan 0.000 0.169 544 P HA 0.602 nan 4.420 nan 0.000 0.279 544 P C 0.335 177.645 177.300 0.017 0.000 1.282 544 P CA 0.785 63.888 63.100 0.006 0.000 0.788 544 P CB 0.958 32.662 31.700 0.006 0.000 1.139 545 G N -2.367 106.446 108.800 0.022 0.000 3.190 545 G HA2 0.323 4.275 3.960 -0.014 0.000 0.686 545 G HA3 0.323 4.275 3.960 -0.014 0.000 0.686 545 G C -0.148 174.781 174.900 0.048 0.000 1.033 545 G CA -0.285 44.838 45.100 0.038 0.000 0.797 545 G HN 0.650 nan 8.290 nan 0.000 0.567 546 K N 0.640 121.070 120.400 0.051 0.000 2.530 546 K HA 0.631 4.943 4.320 -0.014 0.000 0.280 546 K C 2.292 178.950 176.600 0.098 0.000 1.004 546 K CA 1.440 57.761 56.287 0.057 0.000 1.071 546 K CB 0.078 32.604 32.500 0.043 0.000 0.876 546 K HN 2.725 nan 8.250 nan 0.000 0.487 547 G N 0.928 109.774 108.800 0.077 0.000 2.200 547 G HA2 -0.270 3.682 3.960 -0.014 0.000 0.267 547 G HA3 -0.270 3.682 3.960 -0.014 0.000 0.267 547 G C 1.183 176.112 174.900 0.049 0.000 0.993 547 G CA 0.851 46.003 45.100 0.087 0.000 0.701 547 G HN 1.108 nan 8.290 nan 0.000 0.524 548 V N 0.450 120.378 119.914 0.024 0.000 2.273 548 V HA -0.056 4.056 4.120 -0.014 0.000 0.242 548 V C 2.661 178.698 176.094 -0.096 0.000 1.035 548 V CA 2.681 64.940 62.300 -0.067 0.000 1.013 548 V CB -0.489 31.336 31.823 0.004 0.000 0.652 548 V HN 0.534 nan 8.190 nan 0.000 0.452 549 K N 0.420 120.797 120.400 -0.039 0.000 2.059 549 K HA -0.350 3.962 4.320 -0.014 0.000 0.212 549 K C 2.266 178.846 176.600 -0.033 0.000 1.050 549 K CA 2.450 58.721 56.287 -0.028 0.000 0.927 549 K CB -0.297 32.193 32.500 -0.017 0.000 0.714 549 K HN 0.501 nan 8.250 nan 0.000 0.447 550 Q N 0.342 120.121 119.800 -0.035 0.000 2.096 550 Q HA -0.225 4.107 4.340 -0.014 0.000 0.204 550 Q C 2.033 177.993 176.000 -0.066 0.000 0.982 550 Q CA 1.893 57.676 55.803 -0.033 0.000 0.850 550 Q CB -0.235 28.496 28.738 -0.012 0.000 0.901 550 Q HN 0.333 nan 8.270 nan 0.000 0.422 551 Q N -0.160 119.560 119.800 -0.134 0.000 2.167 551 Q HA -0.002 4.329 4.340 -0.014 0.000 0.202 551 Q C 2.165 178.044 176.000 -0.201 0.000 0.970 551 Q CA 1.111 56.780 55.803 -0.223 0.000 0.855 551 Q CB -0.110 28.336 28.738 -0.487 0.000 0.911 551 Q HN 0.495 nan 8.270 nan 0.000 0.438 552 L N 0.025 121.172 121.223 -0.126 0.000 2.156 552 L HA -0.140 4.192 4.340 -0.014 0.000 0.208 552 L C 2.136 179.070 176.870 0.107 0.000 1.095 552 L CA 0.762 55.623 54.840 0.035 0.000 0.770 552 L CB -0.168 41.980 42.059 0.149 0.000 0.914 552 L HN 0.197 nan 8.230 nan 0.000 0.439 553 E N -0.281 119.933 120.200 0.024 0.000 2.051 553 E HA -0.211 4.131 4.350 -0.014 0.000 0.192 553 E C 2.258 178.820 176.600 -0.064 0.000 0.991 553 E CA 1.406 57.796 56.400 -0.016 0.000 0.799 553 E CB -0.065 29.627 29.700 -0.013 0.000 0.748 553 E HN 0.168 nan 8.360 nan 0.000 0.449 554 V N 1.133 121.010 119.914 -0.061 0.000 2.324 554 V HA -0.299 3.813 4.120 -0.014 0.000 0.250 554 V C 2.248 178.295 176.094 -0.078 0.000 1.060 554 V CA 1.657 63.919 62.300 -0.064 0.000 1.042 554 V CB -0.411 31.369 31.823 -0.071 0.000 0.650 554 V HN 0.314 nan 8.190 nan 0.000 0.450 555 L N -1.146 120.022 121.223 -0.091 0.000 2.141 555 L HA -0.214 4.117 4.340 -0.014 0.000 0.209 555 L C 2.648 179.417 176.870 -0.168 0.000 1.094 555 L CA 1.479 56.283 54.840 -0.060 0.000 0.763 555 L CB -0.628 41.422 42.059 -0.016 0.000 0.908 555 L HN 0.484 nan 8.230 nan 0.000 0.437 556 C N 0.308 119.342 119.300 -0.444 0.000 2.413 556 C HA -0.131 4.321 4.460 -0.014 0.000 0.276 556 C C 2.903 177.711 174.990 -0.303 0.000 1.236 556 C CA 1.172 59.681 59.018 -0.848 0.000 1.735 556 C CB -1.182 26.103 27.740 -0.759 0.000 2.031 556 C HN 0.666 nan 8.230 nan 0.000 0.474 557 G N -0.001 108.705 108.800 -0.156 0.000 2.418 557 G HA2 -0.134 3.818 3.960 -0.014 0.000 0.217 557 G HA3 -0.134 3.818 3.960 -0.014 0.000 0.217 557 G C 1.562 176.448 174.900 -0.024 0.000 1.158 557 G CA 1.057 46.122 45.100 -0.058 0.000 0.771 557 G HN 0.594 nan 8.290 nan 0.000 0.545 558 I N -0.821 119.747 120.570 -0.003 0.000 2.252 558 I HA -0.127 4.035 4.170 -0.014 0.000 0.245 558 I C 2.445 178.650 176.117 0.147 0.000 1.102 558 I CA 1.105 62.442 61.300 0.061 0.000 1.385 558 I CB -0.221 37.853 38.000 0.123 0.000 1.064 558 I HN 0.273 nan 8.210 nan 0.000 0.414 559 Y N 1.821 122.128 120.300 0.012 0.000 2.200 559 Y HA -0.286 4.255 4.550 -0.014 0.000 0.290 559 Y C 2.771 178.752 175.900 0.136 0.000 1.137 559 Y CA 1.954 60.100 58.100 0.077 0.000 1.163 559 Y CB -0.151 38.327 38.460 0.030 0.000 0.988 559 Y HN 0.204 nan 8.280 nan 0.000 0.518 560 S N -0.453 115.307 115.700 0.099 0.000 2.446 560 S HA -0.046 4.416 4.470 -0.014 0.000 0.225 560 S C 1.783 176.458 174.600 0.124 0.000 1.016 560 S CA 0.994 59.239 58.200 0.075 0.000 0.943 560 S CB -0.662 62.560 63.200 0.038 0.000 0.786 560 S HN 0.485 nan 8.310 nan 0.000 0.508 561 L N -0.216 121.015 121.223 0.013 0.000 2.341 561 L HA 0.228 4.560 4.340 -0.014 0.000 0.214 561 L C 2.266 179.102 176.870 -0.057 0.000 1.115 561 L CA 0.737 55.505 54.840 -0.119 0.000 0.820 561 L CB -0.465 41.475 42.059 -0.198 0.000 0.944 561 L HN 0.279 nan 8.230 nan 0.000 0.452 562 F N 0.906 120.806 119.950 -0.083 0.000 2.146 562 F HA -0.215 4.303 4.527 -0.014 0.000 0.298 562 F C 2.316 178.125 175.800 0.015 0.000 1.096 562 F CA 1.397 59.386 58.000 -0.018 0.000 1.275 562 F CB 0.137 39.152 39.000 0.026 0.000 1.008 562 F HN -0.125 nan 8.300 nan 0.000 0.480 563 I N 0.485 121.096 120.570 0.068 0.000 2.252 563 I HA -0.253 3.909 4.170 -0.014 0.000 0.245 563 I C 2.521 178.690 176.117 0.087 0.000 1.102 563 I CA 1.234 62.594 61.300 0.101 0.000 1.385 563 I CB -1.459 36.633 38.000 0.153 0.000 1.064 563 I HN 0.307 nan 8.210 nan 0.000 0.414 564 L N 0.137 121.346 121.223 -0.024 0.000 2.079 564 L HA -0.291 4.041 4.340 -0.014 0.000 0.210 564 L C 2.733 179.465 176.870 -0.229 0.000 1.081 564 L CA 1.714 56.351 54.840 -0.338 0.000 0.752 564 L CB -0.478 41.109 42.059 -0.786 0.000 0.896 564 L HN 0.270 nan 8.230 nan 0.000 0.433 565 H N -0.276 118.604 119.070 -0.317 0.000 2.395 565 H HA -0.204 4.343 4.556 -0.015 0.000 0.299 565 H C 2.260 177.426 175.328 -0.269 0.000 1.070 565 H CA 2.007 57.882 56.048 -0.289 0.000 1.356 565 H CB 0.131 29.710 29.762 -0.305 0.000 1.401 565 H HN 0.292 nan 8.280 nan 0.000 0.524 566 K N -0.298 119.903 120.400 -0.332 0.000 2.057 566 K HA -0.149 4.163 4.320 -0.014 0.000 0.207 566 K C 0.641 177.035 176.600 -0.343 0.000 1.049 566 K CA 1.808 57.848 56.287 -0.412 0.000 0.931 566 K CB -0.104 32.086 32.500 -0.518 0.000 0.714 566 K HN 0.475 nan 8.250 nan 0.000 0.440 567 H N 0.183 119.210 119.070 -0.071 0.000 2.503 567 H HA 0.215 4.763 4.556 -0.014 0.000 0.296 567 H C 0.731 176.102 175.328 0.072 0.000 1.097 567 H CA -0.285 55.763 56.048 0.000 0.000 1.055 567 H CB 0.556 30.342 29.762 0.039 0.000 1.580 567 H HN 0.299 nan 8.280 nan 0.000 0.546 568 Q N 0.174 119.997 119.800 0.037 0.000 2.248 568 Q HA -0.145 4.187 4.340 -0.014 0.000 0.208 568 Q C 2.238 178.314 176.000 0.127 0.000 0.984 568 Q CA 1.371 57.215 55.803 0.068 0.000 0.875 568 Q CB -0.010 28.629 28.738 -0.165 0.000 0.910 568 Q HN 0.731 nan 8.270 nan 0.000 0.433 569 G N 0.698 109.525 108.800 0.045 0.000 2.422 569 G HA2 -0.263 3.689 3.960 -0.014 0.000 0.218 569 G HA3 -0.263 3.689 3.960 -0.014 0.000 0.218 569 G C 0.873 175.790 174.900 0.029 0.000 1.146 569 G CA 0.953 46.072 45.100 0.031 0.000 0.769 569 G HN 0.334 nan 8.290 nan 0.000 0.547 570 D N 0.857 121.244 120.400 -0.023 0.000 2.133 570 D HA -0.130 4.501 4.640 -0.014 0.000 0.192 570 D C 2.067 178.223 176.300 -0.241 0.000 1.001 570 D CA 0.979 54.847 54.000 -0.220 0.000 0.844 570 D CB -0.422 40.098 40.800 -0.467 0.000 0.944 570 D HN 0.447 nan 8.370 nan 0.000 0.447 571 F N -0.138 119.793 119.950 -0.032 0.000 2.416 571 F HA 0.157 4.678 4.527 -0.010 0.000 0.296 571 F C 2.297 178.137 175.800 0.067 0.000 1.099 571 F CA 0.166 58.179 58.000 0.021 0.000 1.427 571 F CB -0.448 38.562 39.000 0.018 0.000 1.079 571 F HN -0.103 nan 8.300 nan 0.000 0.536 572 L N -0.321 121.029 121.223 0.212 0.000 2.209 572 L HA 0.103 4.434 4.340 -0.014 0.000 0.207 572 L C 2.590 179.508 176.870 0.080 0.000 1.094 572 L CA 0.740 55.655 54.840 0.125 0.000 0.790 572 L CB -1.281 40.825 42.059 0.079 0.000 0.932 572 L HN 0.210 nan 8.230 nan 0.000 0.447 573 G N 0.649 109.483 108.800 0.056 0.000 2.950 573 G HA2 -0.397 3.555 3.960 -0.014 0.000 0.190 573 G HA3 -0.397 3.555 3.960 -0.014 0.000 0.190 573 G C 1.523 176.446 174.900 0.039 0.000 1.458 573 G CA 2.228 47.346 45.100 0.030 0.000 0.800 573 G HN 0.392 nan 8.290 nan 0.000 0.685 574 T N -1.184 113.389 114.554 0.033 0.000 2.996 574 T HA -0.137 4.205 4.350 -0.014 0.000 0.248 574 T C 2.199 176.942 174.700 0.071 0.000 1.016 574 T CA 3.395 65.523 62.100 0.048 0.000 1.171 574 T CB -0.981 67.922 68.868 0.059 0.000 0.811 574 T HN 2.417 nan 8.240 nan 0.000 0.502 575 G N -0.971 107.884 108.800 0.091 0.000 2.231 575 G HA2 -0.275 3.677 3.960 -0.014 0.000 0.206 575 G HA3 -0.275 3.677 3.960 -0.014 0.000 0.206 575 G C 0.514 175.469 174.900 0.092 0.000 0.996 575 G CA 0.685 45.828 45.100 0.073 0.000 0.645 575 G HN 0.708 nan 8.290 nan 0.000 0.498 576 Y N 1.818 122.155 120.300 0.062 0.000 2.151 576 Y HA 0.085 4.628 4.550 -0.011 0.000 0.284 576 Y C 1.474 177.435 175.900 0.101 0.000 1.166 576 Y CA 2.200 60.349 58.100 0.083 0.000 1.163 576 Y CB 0.007 38.539 38.460 0.119 0.000 0.974 576 Y HN 0.636 nan 8.280 nan 0.000 0.511 577 I N -1.935 118.683 120.570 0.081 0.000 2.846 577 I HA 0.543 4.705 4.170 -0.014 0.000 0.307 577 I C -0.006 176.136 176.117 0.041 0.000 1.053 577 I CA -0.647 60.670 61.300 0.029 0.000 1.050 577 I CB 2.095 40.226 38.000 0.219 0.000 1.239 577 I HN -0.019 nan 8.210 nan 0.000 0.439 578 T N 0.162 114.728 114.554 0.021 0.000 2.910 578 T HA 0.365 4.707 4.350 -0.014 0.000 0.279 578 T C 0.868 175.594 174.700 0.042 0.000 0.989 578 T CA -0.326 61.788 62.100 0.022 0.000 0.968 578 T CB 1.439 70.306 68.868 -0.001 0.000 1.135 578 T HN 0.631 nan 8.240 nan 0.000 0.562 579 S N 0.487 116.205 115.700 0.029 0.000 2.343 579 S HA -0.062 4.399 4.470 -0.014 0.000 0.219 579 S C 2.700 177.325 174.600 0.041 0.000 1.033 579 S CA 1.937 60.155 58.200 0.030 0.000 1.014 579 S CB -1.143 62.068 63.200 0.019 0.000 0.915 579 S HN 0.937 nan 8.310 nan 0.000 0.435 580 K N 1.357 121.777 120.400 0.035 0.000 2.059 580 K HA -0.257 4.055 4.320 -0.014 0.000 0.212 580 K C 1.886 178.534 176.600 0.080 0.000 1.050 580 K CA 2.210 58.522 56.287 0.041 0.000 0.927 580 K CB -1.419 31.094 32.500 0.022 0.000 0.714 580 K HN 0.659 nan 8.250 nan 0.000 0.447 581 Q N -0.932 118.927 119.800 0.098 0.000 2.084 581 Q HA -0.053 4.279 4.340 -0.014 0.000 0.202 581 Q C 2.612 178.797 176.000 0.307 0.000 0.978 581 Q CA 1.183 57.112 55.803 0.210 0.000 0.844 581 Q CB -0.342 28.493 28.738 0.162 0.000 0.898 581 Q HN 0.685 nan 8.270 nan 0.000 0.426 582 G N 0.750 109.638 108.800 0.146 0.000 2.459 582 G HA2 -0.285 3.667 3.960 -0.014 0.000 0.217 582 G HA3 -0.285 3.667 3.960 -0.014 0.000 0.217 582 G C 1.548 176.460 174.900 0.020 0.000 1.183 582 G CA 1.044 46.161 45.100 0.028 0.000 0.776 582 G HN 0.265 nan 8.290 nan 0.000 0.552 583 S N 0.597 116.328 115.700 0.051 0.000 2.374 583 S HA -0.075 4.386 4.470 -0.014 0.000 0.227 583 S C 2.302 176.933 174.600 0.052 0.000 1.037 583 S CA 1.079 59.306 58.200 0.044 0.000 1.024 583 S CB -0.297 62.928 63.200 0.042 0.000 0.861 583 S HN 0.318 nan 8.310 nan 0.000 0.456 584 L N 0.848 122.147 121.223 0.126 0.000 2.131 584 L HA -0.129 4.203 4.340 -0.014 0.000 0.210 584 L C 2.646 179.614 176.870 0.164 0.000 1.092 584 L CA 1.083 56.035 54.840 0.186 0.000 0.759 584 L CB -0.570 41.652 42.059 0.273 0.000 0.903 584 L HN 0.330 nan 8.230 nan 0.000 0.435 585 A N -0.087 122.706 122.820 -0.045 0.000 1.930 585 A HA -0.192 4.120 4.320 -0.014 0.000 0.215 585 A C 2.054 179.470 177.584 -0.280 0.000 1.176 585 A CA 1.666 53.400 52.037 -0.505 0.000 0.632 585 A CB -0.552 17.788 19.000 -1.099 0.000 0.819 585 A HN 0.418 nan 8.150 nan 0.000 0.445 586 N N 0.676 119.276 118.700 -0.167 0.000 2.084 586 N HA -0.157 4.575 4.740 -0.014 0.000 0.190 586 N C 1.170 176.595 175.510 -0.142 0.000 1.030 586 N CA 1.870 54.821 53.050 -0.165 0.000 0.849 586 N CB -0.251 38.186 38.487 -0.083 0.000 1.012 586 N HN 0.412 nan 8.380 nan 0.000 0.423 587 D N -0.377 119.982 120.400 -0.068 0.000 2.178 587 D HA -0.165 4.467 4.640 -0.014 0.000 0.201 587 D C 1.725 177.995 176.300 -0.049 0.000 0.980 587 D CA 0.838 54.815 54.000 -0.040 0.000 0.842 587 D CB -0.200 40.602 40.800 0.003 0.000 0.948 587 D HN 0.435 nan 8.370 nan 0.000 0.472 588 Q N 0.546 120.317 119.800 -0.048 0.000 2.096 588 Q HA -0.067 4.265 4.340 -0.014 0.000 0.197 588 Q C 2.076 177.996 176.000 -0.133 0.000 0.964 588 Q CA 0.562 56.341 55.803 -0.041 0.000 0.838 588 Q CB -0.438 28.323 28.738 0.038 0.000 0.906 588 Q HN 0.148 nan 8.270 nan 0.000 0.444 589 L N 0.630 121.716 121.223 -0.229 0.000 2.081 589 L HA -0.191 4.141 4.340 -0.014 0.000 0.212 589 L C 2.365 178.899 176.870 -0.560 0.000 1.080 589 L CA 1.942 56.530 54.840 -0.420 0.000 0.754 589 L CB -0.446 41.349 42.059 -0.440 0.000 0.893 589 L HN 0.223 nan 8.230 nan 0.000 0.433 590 R N -1.116 119.209 120.500 -0.291 0.000 2.062 590 R HA -0.132 4.200 4.340 -0.014 0.000 0.231 590 R C 2.247 178.523 176.300 -0.038 0.000 1.136 590 R CA 1.271 57.297 56.100 -0.123 0.000 0.948 590 R CB -0.457 29.823 30.300 -0.033 0.000 0.845 590 R HN 0.501 nan 8.270 nan 0.000 0.430 591 A N 1.223 124.019 122.820 -0.041 0.000 1.903 591 A HA -0.211 4.101 4.320 -0.014 0.000 0.219 591 A C 2.191 179.784 177.584 0.015 0.000 1.191 591 A CA 1.520 53.557 52.037 0.001 0.000 0.638 591 A CB -0.719 18.280 19.000 -0.002 0.000 0.823 591 A HN 0.328 nan 8.150 nan 0.000 0.451 592 L N -2.202 118.993 121.223 -0.047 0.000 2.056 592 L HA -0.209 4.123 4.340 -0.014 0.000 0.207 592 L C 2.628 179.582 176.870 0.141 0.000 1.078 592 L CA 1.536 56.371 54.840 -0.009 0.000 0.749 592 L CB -0.743 41.270 42.059 -0.078 0.000 0.901 592 L HN 0.548 nan 8.230 nan 0.000 0.433 593 Y N -0.303 120.090 120.300 0.154 0.000 2.114 593 Y HA -0.327 4.216 4.550 -0.010 0.000 0.282 593 Y C 2.959 179.006 175.900 0.244 0.000 1.165 593 Y CA 1.000 59.266 58.100 0.276 0.000 1.148 593 Y CB -0.321 38.214 38.460 0.125 0.000 0.972 593 Y HN 0.160 nan 8.280 nan 0.000 0.504 594 S N -0.046 115.824 115.700 0.283 0.000 2.399 594 S HA -0.239 4.222 4.470 -0.014 0.000 0.231 594 S C 1.833 176.522 174.600 0.148 0.000 1.022 594 S CA 1.669 59.979 58.200 0.184 0.000 0.983 594 S CB -0.351 62.919 63.200 0.116 0.000 0.803 594 S HN 0.562 nan 8.310 nan 0.000 0.480 595 Q N 0.228 120.102 119.800 0.123 0.000 2.123 595 Q HA 0.081 4.413 4.340 -0.014 0.000 0.196 595 Q C 2.144 178.183 176.000 0.065 0.000 0.958 595 Q CA 0.622 56.471 55.803 0.077 0.000 0.841 595 Q CB -0.562 28.203 28.738 0.046 0.000 0.915 595 Q HN 0.355 nan 8.270 nan 0.000 0.455 596 L N 1.881 123.149 121.223 0.075 0.000 1.990 596 L HA -0.241 4.091 4.340 -0.014 0.000 0.213 596 L C 2.526 179.367 176.870 -0.049 0.000 1.072 596 L CA 2.075 56.877 54.840 -0.063 0.000 0.755 596 L CB -0.647 41.272 42.059 -0.235 0.000 0.889 596 L HN 0.150 nan 8.230 nan 0.000 0.432 597 R N 0.223 120.826 120.500 0.172 0.000 2.293 597 R HA -0.246 4.086 4.340 -0.014 0.000 0.245 597 R C -0.711 175.635 176.300 0.078 0.000 1.105 597 R CA 2.919 59.151 56.100 0.220 0.000 0.916 597 R CB -2.367 28.066 30.300 0.222 0.000 0.963 597 R HN 0.319 nan 8.270 nan 0.000 0.429 598 P HA -0.025 nan 4.420 nan 0.000 0.225 598 P C 0.108 177.409 177.300 0.001 0.000 1.148 598 P CA 1.425 64.537 63.100 0.020 0.000 0.779 598 P CB -0.089 31.623 31.700 0.020 0.000 0.780 599 N N -1.258 117.441 118.700 -0.002 0.000 2.250 599 N HA 0.111 4.843 4.740 -0.014 0.000 0.190 599 N C 1.566 177.063 175.510 -0.021 0.000 1.116 599 N CA 0.481 53.554 53.050 0.039 0.000 0.881 599 N CB 0.047 38.630 38.487 0.160 0.000 1.006 599 N HN 0.007 nan 8.380 nan 0.000 0.491 600 A N 1.375 124.118 122.820 -0.129 0.000 1.915 600 A HA -0.173 4.139 4.320 -0.014 0.000 0.220 600 A C 2.362 179.881 177.584 -0.108 0.000 1.198 600 A CA 1.697 53.620 52.037 -0.190 0.000 0.647 600 A CB -0.889 17.997 19.000 -0.191 0.000 0.825 600 A HN 0.094 nan 8.150 nan 0.000 0.456 601 V N -0.239 119.629 119.914 -0.077 0.000 2.548 601 V HA -0.171 3.941 4.120 -0.014 0.000 0.249 601 V C 2.703 178.727 176.094 -0.116 0.000 1.055 601 V CA 2.158 64.401 62.300 -0.095 0.000 1.065 601 V CB -0.516 31.248 31.823 -0.097 0.000 0.681 601 V HN 0.605 nan 8.190 nan 0.000 0.462 602 S N 0.254 115.902 115.700 -0.087 0.000 2.387 602 S HA -0.017 4.445 4.470 -0.014 0.000 0.226 602 S C 1.851 176.483 174.600 0.053 0.000 1.026 602 S CA 1.096 59.243 58.200 -0.088 0.000 0.972 602 S CB -0.276 62.763 63.200 -0.270 0.000 0.814 602 S HN 0.472 nan 8.310 nan 0.000 0.477 603 L N 1.755 123.037 121.223 0.098 0.000 2.275 603 L HA -0.037 4.295 4.340 -0.014 0.000 0.215 603 L C 2.231 178.847 176.870 -0.423 0.000 1.119 603 L CA 0.626 55.443 54.840 -0.038 0.000 0.790 603 L CB -0.593 41.362 42.059 -0.174 0.000 0.919 603 L HN 0.332 nan 8.230 nan 0.000 0.443 604 V N -5.672 113.959 119.914 -0.472 0.000 3.307 604 V HA 0.040 4.152 4.120 -0.014 0.000 0.253 604 V C 1.681 177.435 176.094 -0.567 0.000 1.149 604 V CA 0.536 62.324 62.300 -0.854 0.000 1.112 604 V CB -0.320 31.316 31.823 -0.312 0.000 0.777 604 V HN 0.167 nan 8.190 nan 0.000 0.464 605 D N 2.145 122.378 120.400 -0.277 0.000 2.265 605 D HA -0.088 4.544 4.640 -0.014 0.000 0.208 605 D C 2.098 178.307 176.300 -0.152 0.000 0.977 605 D CA 1.794 55.721 54.000 -0.121 0.000 0.871 605 D CB -0.081 40.684 40.800 -0.059 0.000 0.925 605 D HN 0.625 nan 8.370 nan 0.000 0.485 606 A N -0.097 122.541 122.820 -0.304 0.000 2.119 606 A HA -0.063 4.249 4.320 -0.014 0.000 0.216 606 A C 1.477 178.934 177.584 -0.212 0.000 1.152 606 A CA 0.295 52.232 52.037 -0.167 0.000 0.708 606 A CB -0.572 18.405 19.000 -0.038 0.000 0.805 606 A HN 0.086 nan 8.150 nan 0.000 0.460 607 F N -0.481 119.165 119.950 -0.507 0.000 2.451 607 F HA 0.013 4.532 4.527 -0.014 0.000 0.299 607 F C 1.265 176.658 175.800 -0.680 0.000 1.101 607 F CA 0.299 57.723 58.000 -0.960 0.000 1.436 607 F CB -1.262 36.996 39.000 -1.236 0.000 1.074 607 F HN 0.415 nan 8.300 nan 0.000 0.553 608 N N -1.058 117.544 118.700 -0.163 0.000 2.747 608 N HA -0.281 4.451 4.740 -0.014 0.000 0.249 608 N C -0.691 174.838 175.510 0.031 0.000 1.107 608 N CA 0.307 53.357 53.050 -0.000 0.000 0.707 608 N CB -1.916 36.674 38.487 0.172 0.000 1.054 608 N HN 0.393 nan 8.380 nan 0.000 0.555 609 Y N 0.193 120.636 120.300 0.238 0.000 2.309 609 Y HA 0.225 4.766 4.550 -0.014 0.000 0.327 609 Y C 1.702 177.732 175.900 0.216 0.000 1.172 609 Y CA -0.192 58.074 58.100 0.276 0.000 1.280 609 Y CB 0.745 39.418 38.460 0.354 0.000 1.234 609 Y HN 0.159 nan 8.280 nan 0.000 0.512 610 T N -1.971 112.826 114.554 0.405 0.000 2.849 610 T HA 0.066 4.408 4.350 -0.014 0.000 0.284 610 T C 0.617 175.492 174.700 0.291 0.000 1.004 610 T CA -0.805 61.452 62.100 0.262 0.000 1.021 610 T CB 0.992 69.978 68.868 0.197 0.000 1.013 610 T HN 0.549 nan 8.240 nan 0.000 0.527 611 D N -0.464 120.065 120.400 0.215 0.000 2.149 611 D HA -0.159 4.473 4.640 -0.014 0.000 0.198 611 D C 1.720 178.126 176.300 0.177 0.000 0.990 611 D CA 1.307 55.414 54.000 0.179 0.000 0.839 611 D CB -0.485 40.403 40.800 0.146 0.000 0.948 611 D HN 0.806 nan 8.370 nan 0.000 0.460 612 H N -0.662 118.485 119.070 0.129 0.000 2.352 612 H HA -0.209 4.339 4.556 -0.014 0.000 0.299 612 H C 1.935 177.365 175.328 0.170 0.000 1.097 612 H CA 1.365 57.493 56.048 0.132 0.000 1.311 612 H CB -0.243 29.602 29.762 0.137 0.000 1.377 612 H HN 0.204 nan 8.280 nan 0.000 0.504 613 Y N 0.395 120.814 120.300 0.198 0.000 2.243 613 Y HA -0.065 4.477 4.550 -0.014 0.000 0.293 613 Y C 2.373 178.255 175.900 -0.030 0.000 1.124 613 Y CA 0.675 58.857 58.100 0.136 0.000 1.159 613 Y CB -0.502 38.110 38.460 0.254 0.000 1.008 613 Y HN 0.152 nan 8.280 nan 0.000 0.527 614 L N 0.709 121.889 121.223 -0.072 0.000 2.141 614 L HA 0.117 4.448 4.340 -0.014 0.000 0.209 614 L C 1.736 178.503 176.870 -0.172 0.000 1.094 614 L CA 1.652 56.372 54.840 -0.199 0.000 0.763 614 L CB -1.379 40.672 42.059 -0.013 0.000 0.908 614 L HN 0.419 nan 8.230 nan 0.000 0.437 615 G N 0.144 108.877 108.800 -0.112 0.000 2.424 615 G HA2 -0.300 3.652 3.960 -0.014 0.000 0.294 615 G HA3 -0.300 3.652 3.960 -0.014 0.000 0.294 615 G C 0.329 175.183 174.900 -0.078 0.000 0.939 615 G CA 0.849 45.888 45.100 -0.101 0.000 1.143 615 G HN 0.480 nan 8.290 nan 0.000 0.507 616 S N -1.086 114.587 115.700 -0.045 0.000 2.605 616 S HA 0.576 5.038 4.470 -0.014 0.000 0.308 616 S C 1.450 176.041 174.600 -0.014 0.000 1.113 616 S CA -0.763 57.413 58.200 -0.039 0.000 1.049 616 S CB 0.923 64.105 63.200 -0.031 0.000 1.001 616 S HN 0.257 nan 8.310 nan 0.000 0.480 617 I N 4.681 125.234 120.570 -0.028 0.000 2.439 617 I HA -0.114 4.048 4.170 -0.014 0.000 0.251 617 I C 1.603 177.711 176.117 -0.015 0.000 1.139 617 I CA 1.062 62.352 61.300 -0.016 0.000 1.438 617 I CB -0.049 37.936 38.000 -0.025 0.000 1.085 617 I HN 0.650 nan 8.210 nan 0.000 0.427 618 L N 0.118 121.317 121.223 -0.040 0.000 2.376 618 L HA -0.006 4.326 4.340 -0.014 0.000 0.219 618 L C 1.923 178.837 176.870 0.074 0.000 1.133 618 L CA 0.909 55.742 54.840 -0.011 0.000 0.816 618 L CB -0.606 41.320 42.059 -0.221 0.000 0.933 618 L HN 0.289 nan 8.230 nan 0.000 0.449 619 G N -0.510 108.319 108.800 0.048 0.000 3.651 619 G HA2 0.155 4.107 3.960 -0.014 0.000 0.279 619 G HA3 0.155 4.107 3.960 -0.014 0.000 0.279 619 G C 0.346 175.299 174.900 0.088 0.000 1.024 619 G CA -0.538 44.607 45.100 0.075 0.000 0.813 619 G HN 0.082 nan 8.290 nan 0.000 0.518 620 R N 0.002 120.550 120.500 0.080 0.000 2.523 620 R HA -0.062 4.270 4.340 -0.014 0.000 0.281 620 R C 1.014 177.401 176.300 0.144 0.000 0.969 620 R CA -0.232 55.939 56.100 0.118 0.000 1.093 620 R CB 0.337 30.696 30.300 0.099 0.000 0.917 620 R HN 0.396 nan 8.270 nan 0.000 0.408 621 Y N 3.068 123.412 120.300 0.073 0.000 2.062 621 Y HA -0.362 4.180 4.550 -0.013 0.000 0.276 621 Y C 1.842 177.778 175.900 0.059 0.000 1.189 621 Y CA 2.498 60.637 58.100 0.066 0.000 1.130 621 Y CB 0.027 38.526 38.460 0.066 0.000 0.959 621 Y HN 0.730 nan 8.280 nan 0.000 0.499 622 D N -0.857 119.710 120.400 0.277 0.000 2.338 622 D HA 0.050 4.682 4.640 -0.014 0.000 0.239 622 D C 1.693 178.104 176.300 0.185 0.000 1.095 622 D CA 0.776 54.903 54.000 0.211 0.000 0.888 622 D CB -1.010 39.929 40.800 0.231 0.000 0.899 622 D HN 0.509 nan 8.370 nan 0.000 0.525 623 G N 0.964 109.822 108.800 0.096 0.000 2.244 623 G HA2 -0.398 3.554 3.960 -0.014 0.000 0.274 623 G HA3 -0.398 3.554 3.960 -0.014 0.000 0.274 623 G C 0.376 175.276 174.900 0.000 0.000 1.002 623 G CA 0.358 45.489 45.100 0.051 0.000 0.740 623 G HN 0.540 nan 8.290 nan 0.000 0.516 624 N N 0.198 118.938 118.700 0.067 0.000 3.124 624 N HA 0.386 5.118 4.740 -0.014 0.000 0.284 624 N C 1.472 176.914 175.510 -0.113 0.000 1.209 624 N CA 0.334 53.348 53.050 -0.060 0.000 1.149 624 N CB 0.449 39.008 38.487 0.120 0.000 1.434 624 N HN 0.094 nan 8.380 nan 0.000 0.529 625 V N 1.977 121.736 119.914 -0.257 0.000 2.300 625 V HA -0.140 3.972 4.120 -0.014 0.000 0.241 625 V C 1.310 177.298 176.094 -0.175 0.000 1.034 625 V CA 1.339 63.492 62.300 -0.246 0.000 1.021 625 V CB -0.870 30.723 31.823 -0.383 0.000 0.662 625 V HN 0.519 nan 8.190 nan 0.000 0.458 626 Y N 0.376 120.646 120.300 -0.050 0.000 2.200 626 Y HA -0.103 4.438 4.550 -0.014 0.000 0.290 626 Y C 0.154 176.053 175.900 -0.002 0.000 1.137 626 Y CA 1.179 59.251 58.100 -0.047 0.000 1.163 626 Y CB -1.780 36.645 38.460 -0.058 0.000 0.988 626 Y HN 0.377 nan 8.280 nan 0.000 0.518 627 P HA -0.139 nan 4.420 nan 0.000 0.220 627 P C 1.167 178.561 177.300 0.158 0.000 1.148 627 P CA 1.392 64.569 63.100 0.128 0.000 0.803 627 P CB 0.101 31.842 31.700 0.069 0.000 0.782 628 K N -0.388 120.071 120.400 0.099 0.000 2.062 628 K HA 0.021 4.332 4.320 -0.014 0.000 0.205 628 K C 2.099 178.748 176.600 0.081 0.000 1.051 628 K CA 0.982 57.320 56.287 0.085 0.000 0.941 628 K CB -1.157 31.372 32.500 0.049 0.000 0.719 628 K HN 0.242 nan 8.250 nan 0.000 0.440 629 L N -0.144 121.117 121.223 0.063 0.000 2.043 629 L HA -0.249 4.083 4.340 -0.014 0.000 0.212 629 L C 2.539 179.438 176.870 0.048 0.000 1.075 629 L CA 1.516 56.371 54.840 0.024 0.000 0.752 629 L CB -0.560 41.484 42.059 -0.024 0.000 0.891 629 L HN 0.112 nan 8.230 nan 0.000 0.432 630 Y N 0.831 121.139 120.300 0.014 0.000 2.089 630 Y HA -0.334 4.208 4.550 -0.014 0.000 0.282 630 Y C 2.786 178.754 175.900 0.113 0.000 1.139 630 Y CA 2.174 60.300 58.100 0.044 0.000 1.123 630 Y CB -0.213 38.326 38.460 0.132 0.000 0.980 630 Y HN 0.219 nan 8.280 nan 0.000 0.493 631 E N 0.099 120.504 120.200 0.341 0.000 2.097 631 E HA -0.302 4.040 4.350 -0.014 0.000 0.196 631 E C 2.164 178.837 176.600 0.121 0.000 1.000 631 E CA 1.387 57.954 56.400 0.279 0.000 0.804 631 E CB -0.388 29.446 29.700 0.224 0.000 0.740 631 E HN 0.544 nan 8.360 nan 0.000 0.454 632 A N 1.213 124.056 122.820 0.038 0.000 1.933 632 A HA -0.062 4.250 4.320 -0.014 0.000 0.218 632 A C 2.443 179.955 177.584 -0.120 0.000 1.175 632 A CA 1.807 53.830 52.037 -0.023 0.000 0.628 632 A CB -0.794 18.190 19.000 -0.026 0.000 0.814 632 A HN 0.457 nan 8.150 nan 0.000 0.444 633 A N -1.344 121.308 122.820 -0.281 0.000 2.019 633 A HA -0.153 4.159 4.320 -0.014 0.000 0.219 633 A C 1.690 178.980 177.584 -0.490 0.000 1.164 633 A CA 1.065 52.825 52.037 -0.462 0.000 0.644 633 A CB -0.928 17.638 19.000 -0.723 0.000 0.805 633 A HN 0.764 nan 8.150 nan 0.000 0.449 634 W N 0.041 121.258 121.300 -0.139 0.000 3.316 634 W HA 0.129 4.781 4.660 -0.014 0.000 0.258 634 W C 1.417 177.901 176.519 -0.058 0.000 1.330 634 W CA 0.355 57.633 57.345 -0.111 0.000 1.595 634 W CB 0.235 29.623 29.460 -0.119 0.000 1.088 634 W HN 0.282 nan 8.180 nan 0.000 0.734 635 K N -0.593 119.847 120.400 0.066 0.000 2.464 635 K HA 0.005 4.317 4.320 -0.014 0.000 0.206 635 K C 0.424 177.034 176.600 0.015 0.000 1.186 635 K CA -0.169 56.151 56.287 0.054 0.000 0.990 635 K CB 0.279 32.804 32.500 0.043 0.000 1.003 635 K HN -0.021 nan 8.250 nan 0.000 0.562 636 D N 3.281 123.665 120.400 -0.027 0.000 2.506 636 D HA -0.043 4.589 4.640 -0.014 0.000 0.234 636 D C -1.548 174.753 176.300 0.002 0.000 1.143 636 D CA -1.040 52.943 54.000 -0.029 0.000 0.871 636 D CB 1.288 42.046 40.800 -0.068 0.000 1.190 636 D HN -0.123 nan 8.370 nan 0.000 0.459 637 P HA -0.198 nan 4.420 nan 0.000 0.218 637 P C 1.805 179.123 177.300 0.029 0.000 1.154 637 P CA 1.152 64.265 63.100 0.022 0.000 0.872 637 P CB 0.060 31.772 31.700 0.021 0.000 0.790 638 L N -0.979 120.255 121.223 0.019 0.000 2.187 638 L HA -0.134 4.198 4.340 -0.014 0.000 0.213 638 L C 1.968 178.863 176.870 0.042 0.000 1.100 638 L CA 1.182 56.038 54.840 0.027 0.000 0.765 638 L CB -0.854 41.212 42.059 0.012 0.000 0.904 638 L HN 0.019 nan 8.230 nan 0.000 0.437 639 N N 0.164 118.893 118.700 0.048 0.000 2.461 639 N HA -0.068 4.664 4.740 -0.014 0.000 0.188 639 N C 1.422 177.009 175.510 0.128 0.000 1.134 639 N CA 0.438 53.560 53.050 0.119 0.000 0.878 639 N CB 0.120 38.706 38.487 0.164 0.000 0.972 639 N HN 0.423 nan 8.380 nan 0.000 0.456 640 K N 0.451 120.900 120.400 0.082 0.000 2.152 640 K HA -0.069 4.243 4.320 -0.014 0.000 0.206 640 K C 0.895 177.529 176.600 0.056 0.000 1.048 640 K CA 0.814 57.140 56.287 0.065 0.000 0.933 640 K CB 0.019 32.548 32.500 0.048 0.000 0.721 640 K HN 0.185 nan 8.250 nan 0.000 0.447 641 S N -0.747 114.988 115.700 0.058 0.000 2.685 641 S HA 0.239 4.701 4.470 -0.014 0.000 0.282 641 S C -0.364 174.267 174.600 0.052 0.000 1.159 641 S CA -1.023 57.206 58.200 0.047 0.000 0.833 641 S CB 1.586 64.807 63.200 0.035 0.000 1.151 641 S HN -0.101 nan 8.310 nan 0.000 0.485 642 D N 0.319 120.739 120.400 0.033 0.000 2.363 642 D HA 0.298 4.930 4.640 -0.014 0.000 0.226 642 D C -0.186 176.100 176.300 -0.023 0.000 1.020 642 D CA 0.723 54.734 54.000 0.019 0.000 0.892 642 D CB -0.134 40.668 40.800 0.003 0.000 0.900 642 D HN 0.468 nan 8.370 nan 0.000 0.531 643 I N 0.620 121.186 120.570 -0.007 0.000 2.512 643 I HA 0.314 4.476 4.170 -0.014 0.000 0.287 643 I C -0.361 175.786 176.117 0.050 0.000 1.069 643 I CA -0.919 60.364 61.300 -0.028 0.000 1.056 643 I CB 2.092 40.103 38.000 0.020 0.000 1.229 643 I HN -0.241 nan 8.210 nan 0.000 0.429 644 A N 4.853 127.716 122.820 0.072 0.000 2.354 644 A HA 0.234 4.546 4.320 -0.014 0.000 0.269 644 A C -0.129 177.555 177.584 0.167 0.000 1.109 644 A CA -0.351 51.757 52.037 0.118 0.000 0.800 644 A CB 0.408 19.485 19.000 0.129 0.000 1.045 644 A HN 0.725 nan 8.150 nan 0.000 0.489 645 D N 0.603 121.083 120.400 0.133 0.000 2.458 645 D HA 0.355 4.987 4.640 -0.014 0.000 0.243 645 D C 1.309 177.710 176.300 0.169 0.000 1.146 645 D CA 2.081 56.161 54.000 0.133 0.000 0.877 645 D CB 0.814 41.671 40.800 0.096 0.000 1.176 645 D HN 0.971 nan 8.370 nan 0.000 0.461 646 G N 3.957 112.855 108.800 0.164 0.000 2.397 646 G HA2 -0.346 3.606 3.960 -0.014 0.000 0.211 646 G HA3 -0.346 3.606 3.960 -0.014 0.000 0.211 646 G C 0.991 175.987 174.900 0.160 0.000 1.077 646 G CA 0.252 45.481 45.100 0.215 0.000 0.649 646 G HN 0.546 nan 8.290 nan 0.000 0.511 647 F N 1.848 121.847 119.950 0.082 0.000 2.091 647 F HA -0.049 4.470 4.527 -0.014 0.000 0.299 647 F C 2.576 178.354 175.800 -0.036 0.000 1.103 647 F CA 2.646 60.665 58.000 0.032 0.000 1.228 647 F CB -0.148 38.853 39.000 0.003 0.000 0.984 647 F HN 0.357 nan 8.300 nan 0.000 0.477 648 H N -0.558 118.613 119.070 0.169 0.000 2.423 648 H HA -0.110 4.438 4.556 -0.014 0.000 0.297 648 H C 2.176 177.396 175.328 -0.179 0.000 1.075 648 H CA 1.557 57.624 56.048 0.031 0.000 1.342 648 H CB -0.113 29.697 29.762 0.081 0.000 1.395 648 H HN 0.489 nan 8.280 nan 0.000 0.530 649 E N 0.154 120.239 120.200 -0.191 0.000 2.046 649 E HA -0.123 4.219 4.350 -0.014 0.000 0.190 649 E C 1.332 177.579 176.600 -0.588 0.000 0.982 649 E CA 0.956 57.060 56.400 -0.492 0.000 0.800 649 E CB 0.221 29.407 29.700 -0.857 0.000 0.756 649 E HN 0.505 nan 8.360 nan 0.000 0.449 650 Y N -0.946 119.291 120.300 -0.106 0.000 2.464 650 Y HA 0.046 4.587 4.550 -0.014 0.000 0.288 650 Y C 2.091 177.841 175.900 -0.249 0.000 1.133 650 Y CA -0.256 57.763 58.100 -0.135 0.000 1.223 650 Y CB 0.265 38.673 38.460 -0.087 0.000 1.187 650 Y HN 0.020 nan 8.280 nan 0.000 0.539 651 I N 0.055 120.408 120.570 -0.362 0.000 2.494 651 I HA -0.076 4.086 4.170 -0.014 0.000 0.250 651 I C 2.364 178.103 176.117 -0.631 0.000 1.112 651 I CA 0.927 61.883 61.300 -0.573 0.000 1.438 651 I CB -1.076 36.430 38.000 -0.824 0.000 1.111 651 I HN 0.193 nan 8.210 nan 0.000 0.431 652 R N 1.278 121.286 120.500 -0.820 0.000 2.094 652 R HA -0.181 4.151 4.340 -0.014 0.000 0.239 652 R C -0.248 175.942 176.300 -0.182 0.000 1.137 652 R CA 2.178 58.035 56.100 -0.404 0.000 0.943 652 R CB -1.361 28.788 30.300 -0.252 0.000 0.850 652 R HN 0.204 nan 8.270 nan 0.000 0.433 653 P HA -0.192 nan 4.420 nan 0.000 0.215 653 P C 1.475 178.739 177.300 -0.059 0.000 1.163 653 P CA 1.510 64.567 63.100 -0.070 0.000 0.894 653 P CB -0.315 31.353 31.700 -0.053 0.000 0.791 654 L N -2.528 118.650 121.223 -0.074 0.000 2.083 654 L HA -0.128 4.204 4.340 -0.014 0.000 0.209 654 L C 2.260 179.106 176.870 -0.040 0.000 1.083 654 L CA 1.817 56.629 54.840 -0.048 0.000 0.752 654 L CB -1.717 40.314 42.059 -0.046 0.000 0.899 654 L HN -0.142 nan 8.230 nan 0.000 0.433 655 L N 0.417 121.605 121.223 -0.057 0.000 1.990 655 L HA -0.247 4.085 4.340 -0.014 0.000 0.213 655 L C 3.167 180.035 176.870 -0.003 0.000 1.072 655 L CA 2.457 57.287 54.840 -0.017 0.000 0.755 655 L CB -0.868 41.194 42.059 0.005 0.000 0.889 655 L HN 0.511 nan 8.230 nan 0.000 0.432 656 K N 0.286 120.682 120.400 -0.007 0.000 2.418 656 K HA 0.012 4.324 4.320 -0.014 0.000 0.195 656 K C 0.554 177.153 176.600 -0.002 0.000 1.035 656 K CA 0.710 56.998 56.287 0.001 0.000 1.003 656 K CB -0.455 32.049 32.500 0.006 0.000 0.793 656 K HN 0.664 nan 8.250 nan 0.000 0.494 657 Q N -3.237 116.558 119.800 -0.008 0.000 2.979 657 Q HA 0.032 4.364 4.340 -0.014 0.000 0.108 657 Q C -0.513 175.484 176.000 -0.004 0.000 1.574 657 Q CA 0.662 56.462 55.803 -0.006 0.000 0.387 657 Q CB -2.484 26.253 28.738 -0.002 0.000 0.612 657 Q HN 1.335 nan 8.270 nan 0.000 0.321 658 Q N 0.000 119.797 119.800 -0.005 0.000 2.315 658 Q HA 0.000 4.332 4.340 -0.014 0.000 0.214 658 Q CA 0.000 55.802 55.803 -0.002 0.000 1.022 658 Q CB 0.000 28.735 28.738 -0.005 0.000 1.108 658 Q HN 0.000 nan 8.270 nan 0.000 0.481