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 1q3s_1_H DATA FIRST_RESID 10 DATA SEQUENCE VILPEGTQRY VGRDAQRLNI LAARIIAETV RTTLGPKGMD KMLVDSLGDI DATA SEQUENCE VVTNDCATIL DKIDLQHPAA KMMVEVAKTQ DKEAGDGTTT AVVIAGELLR DATA SEQUENCE KAEELLDQNI HPSIIIKGYA LAAEKAQEIL DEIAIRVDPD DEETLLKIAA DATA SEQUENCE TSITGKNAES HKELLAKLAV EAVKQVAEKK DGKYVVDLDN IKFEKKAGEG DATA SEQUENCE VEESELVRGV VIDKEVVHPR MPKRVENAKI ALINEALEVK KTETDAKINI DATA SEQUENCE TSPDQLMSFL EQEEKMLKDM VDHIAQTGAN VVFVQKGIDD LAQHYLAKYG DATA SEQUENCE IMAVRRVKKS DMEKLAKATG AKIVTNVKDL TPEDLGYAEV VEERKLAGEN DATA SEQUENCE MIFVEGCKNP KAVTILIRGG TEHVIDEVER ALEDAVKVVK DVMEDGAVLP DATA SEQUENCE AGGAPEIELA IRLDEYAKQV GGKEALAIEN FADALKIIPK TLAENAGLDT DATA SEQUENCE VEMLVKVISE HKNRGLGIGI DVFEGKPADM LEKGIIEPLR VKKQAIKSAS DATA SEQUENCE EAAIMILRID DVIAAKA 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 10 V HA 0.000 nan 4.120 nan 0.000 0.244 10 V C 0.000 176.090 176.094 -0.007 0.000 1.182 10 V CA 0.000 62.296 62.300 -0.006 0.000 1.235 10 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 11 I N 0.484 121.048 120.570 -0.009 0.000 2.522 11 I HA 0.441 4.611 4.170 0.000 0.000 0.240 11 I C 0.228 176.339 176.117 -0.011 0.000 1.078 11 I CA 1.343 62.637 61.300 -0.010 0.000 1.422 11 I CB 0.832 38.825 38.000 -0.012 0.000 1.188 11 I HN 0.500 nan 8.210 nan 0.000 0.442 12 L N 1.870 123.085 121.223 -0.013 0.000 2.476 12 L HA 0.460 4.800 4.340 0.000 0.000 0.269 12 L C -2.372 174.489 176.870 -0.015 0.000 0.965 12 L CA -1.502 53.329 54.840 -0.015 0.000 0.845 12 L CB 1.694 43.742 42.059 -0.019 0.000 1.259 12 L HN 0.004 nan 8.230 nan 0.000 0.403 13 P HA -0.108 nan 4.420 nan 0.000 0.265 13 P C -1.064 176.228 177.300 -0.013 0.000 1.151 13 P CA 0.344 63.438 63.100 -0.011 0.000 0.755 13 P CB 0.288 31.982 31.700 -0.009 0.000 0.756 14 E N 1.854 122.047 120.200 -0.011 0.000 2.342 14 E HA 0.431 4.781 4.350 0.000 0.000 0.257 14 E C 1.030 177.625 176.600 -0.009 0.000 1.150 14 E CA -0.250 56.143 56.400 -0.012 0.000 0.926 14 E CB -0.282 29.413 29.700 -0.009 0.000 1.074 14 E HN 0.654 nan 8.360 nan 0.000 0.449 15 G N 0.573 109.369 108.800 -0.008 0.000 2.198 15 G HA2 -0.243 3.717 3.960 0.000 0.000 0.260 15 G HA3 -0.243 3.717 3.960 0.000 0.000 0.260 15 G C -0.157 174.743 174.900 -0.001 0.000 1.025 15 G CA 0.568 45.667 45.100 -0.002 0.000 0.769 15 G HN 0.674 nan 8.290 nan 0.000 0.507 16 T N 0.509 115.057 114.554 -0.011 0.000 2.815 16 T HA 0.571 4.921 4.350 0.000 0.000 0.289 16 T C 0.044 174.724 174.700 -0.033 0.000 1.000 16 T CA -0.445 61.647 62.100 -0.013 0.000 0.958 16 T CB 1.618 70.476 68.868 -0.017 0.000 0.944 16 T HN 0.339 nan 8.240 nan 0.000 0.442 17 Q N 1.950 121.736 119.800 -0.023 0.000 2.193 17 Q HA 0.780 5.120 4.340 0.000 0.000 0.246 17 Q C -0.059 175.851 176.000 -0.150 0.000 0.959 17 Q CA -0.805 54.944 55.803 -0.090 0.000 0.904 17 Q CB 1.370 30.127 28.738 0.031 0.000 1.238 17 Q HN 0.551 nan 8.270 nan 0.000 0.469 18 R N 0.230 120.463 120.500 -0.445 0.000 2.594 18 R HA 0.525 4.865 4.340 0.000 0.000 0.265 18 R C -1.799 174.029 176.300 -0.787 0.000 1.070 18 R CA -0.433 55.444 56.100 -0.371 0.000 0.909 18 R CB 1.059 31.247 30.300 -0.187 0.000 1.243 18 R HN 0.659 nan 8.270 nan 0.000 0.455 19 Y N 1.248 121.553 120.300 0.008 0.000 2.553 19 Y HA 0.662 5.212 4.550 0.000 0.000 0.347 19 Y C -0.598 175.306 175.900 0.007 0.000 1.019 19 Y CA -0.799 57.308 58.100 0.011 0.000 1.032 19 Y CB 2.546 41.020 38.460 0.023 0.000 1.284 19 Y HN 0.242 nan 8.280 nan 0.000 0.466 20 V N 0.185 120.177 119.914 0.130 0.000 3.130 20 V HA 0.798 4.918 4.120 0.000 0.000 0.310 20 V C 0.633 176.762 176.094 0.059 0.000 1.158 20 V CA -0.587 61.756 62.300 0.071 0.000 1.029 20 V CB 1.214 33.053 31.823 0.027 0.000 1.057 20 V HN 1.090 nan 8.190 nan 0.000 0.436 21 G N 1.931 110.749 108.800 0.029 0.000 2.700 21 G HA2 -0.419 3.542 3.960 0.000 0.000 0.350 21 G HA3 -0.419 3.542 3.960 0.000 0.000 0.350 21 G C 1.205 176.111 174.900 0.011 0.000 1.250 21 G CA 1.833 46.936 45.100 0.005 0.000 0.978 21 G HN 1.089 nan 8.290 nan 0.000 0.551 22 R N 0.404 120.907 120.500 0.006 0.000 2.154 22 R HA -0.204 4.136 4.340 0.000 0.000 0.236 22 R C 2.303 178.618 176.300 0.025 0.000 1.121 22 R CA 3.041 59.145 56.100 0.007 0.000 0.915 22 R CB -0.983 29.322 30.300 0.009 0.000 0.856 22 R HN 0.627 nan 8.270 nan 0.000 0.431 23 D N -0.052 120.384 120.400 0.060 0.000 2.205 23 D HA -0.253 4.387 4.640 0.000 0.000 0.190 23 D C 1.844 178.190 176.300 0.077 0.000 1.002 23 D CA 2.305 56.367 54.000 0.104 0.000 0.848 23 D CB -0.567 40.369 40.800 0.226 0.000 0.975 23 D HN 0.515 nan 8.370 nan 0.000 0.449 24 A N 0.529 123.428 122.820 0.131 0.000 1.870 24 A HA -0.357 3.963 4.320 0.000 0.000 0.219 24 A C 2.115 179.716 177.584 0.029 0.000 1.224 24 A CA 2.538 54.637 52.037 0.103 0.000 0.650 24 A CB -1.048 18.019 19.000 0.112 0.000 0.836 24 A HN 0.343 nan 8.150 nan 0.000 0.454 25 Q N -1.524 118.287 119.800 0.019 0.000 2.135 25 Q HA -0.236 4.104 4.340 0.000 0.000 0.204 25 Q C 2.362 178.350 176.000 -0.019 0.000 0.981 25 Q CA 1.732 57.535 55.803 -0.000 0.000 0.856 25 Q CB -0.207 28.525 28.738 -0.010 0.000 0.902 25 Q HN 0.653 nan 8.270 nan 0.000 0.425 26 R N 0.996 121.481 120.500 -0.025 0.000 2.070 26 R HA -0.128 4.212 4.340 0.000 0.000 0.233 26 R C 2.117 178.369 176.300 -0.080 0.000 1.137 26 R CA 1.305 57.379 56.100 -0.042 0.000 0.945 26 R CB -0.366 29.915 30.300 -0.031 0.000 0.845 26 R HN 0.195 nan 8.270 nan 0.000 0.430 27 L N 0.147 121.303 121.223 -0.112 0.000 1.994 27 L HA -0.176 4.164 4.340 0.000 0.000 0.208 27 L C 2.157 178.900 176.870 -0.212 0.000 1.071 27 L CA 2.056 56.779 54.840 -0.195 0.000 0.745 27 L CB -0.865 41.024 42.059 -0.283 0.000 0.892 27 L HN 0.411 nan 8.230 nan 0.000 0.431 28 N N 0.421 119.075 118.700 -0.076 0.000 2.036 28 N HA -0.223 4.517 4.740 0.000 0.000 0.195 28 N C 1.939 177.410 175.510 -0.065 0.000 1.037 28 N CA 1.362 54.413 53.050 0.002 0.000 0.855 28 N CB -0.154 38.369 38.487 0.060 0.000 1.033 28 N HN 0.254 nan 8.380 nan 0.000 0.423 29 I N 0.628 121.167 120.570 -0.052 0.000 2.264 29 I HA -0.241 3.929 4.170 0.000 0.000 0.248 29 I C 2.312 178.381 176.117 -0.080 0.000 1.111 29 I CA 0.679 61.951 61.300 -0.046 0.000 1.382 29 I CB -0.204 37.778 38.000 -0.030 0.000 1.060 29 I HN 0.199 nan 8.210 nan 0.000 0.418 30 L N 1.301 122.453 121.223 -0.119 0.000 1.994 30 L HA -0.164 4.176 4.340 0.000 0.000 0.208 30 L C 2.661 179.430 176.870 -0.169 0.000 1.071 30 L CA 2.232 56.992 54.840 -0.133 0.000 0.745 30 L CB -0.791 41.180 42.059 -0.146 0.000 0.892 30 L HN 0.185 nan 8.230 nan 0.000 0.431 31 A N -0.486 122.160 122.820 -0.291 0.000 1.917 31 A HA -0.201 4.120 4.320 0.000 0.000 0.219 31 A C 2.446 179.946 177.584 -0.141 0.000 1.182 31 A CA 2.236 54.080 52.037 -0.321 0.000 0.633 31 A CB -1.314 17.239 19.000 -0.745 0.000 0.819 31 A HN 0.615 nan 8.150 nan 0.000 0.448 32 A N -0.197 122.564 122.820 -0.097 0.000 1.865 32 A HA -0.199 4.121 4.320 0.000 0.000 0.217 32 A C 2.238 179.796 177.584 -0.042 0.000 1.191 32 A CA 1.662 53.676 52.037 -0.038 0.000 0.623 32 A CB -0.558 18.432 19.000 -0.016 0.000 0.826 32 A HN 0.562 nan 8.150 nan 0.000 0.444 33 R N -0.577 119.892 120.500 -0.051 0.000 2.105 33 R HA -0.099 4.241 4.340 0.000 0.000 0.239 33 R C 2.036 178.308 176.300 -0.047 0.000 1.135 33 R CA 1.563 57.636 56.100 -0.045 0.000 0.967 33 R CB -0.583 29.689 30.300 -0.046 0.000 0.861 33 R HN 0.592 nan 8.270 nan 0.000 0.442 34 I N 0.546 121.081 120.570 -0.058 0.000 2.127 34 I HA -0.315 3.855 4.170 0.000 0.000 0.241 34 I C 2.374 178.468 176.117 -0.038 0.000 1.075 34 I CA 1.131 62.400 61.300 -0.052 0.000 1.334 34 I CB -0.283 37.677 38.000 -0.066 0.000 1.040 34 I HN 0.144 nan 8.210 nan 0.000 0.405 35 I N 1.058 121.607 120.570 -0.035 0.000 2.163 35 I HA -0.308 3.862 4.170 0.000 0.000 0.243 35 I C 2.846 178.949 176.117 -0.024 0.000 1.085 35 I CA 1.920 63.207 61.300 -0.023 0.000 1.347 35 I CB -1.260 36.732 38.000 -0.014 0.000 1.044 35 I HN 0.209 nan 8.210 nan 0.000 0.408 36 A N 0.230 123.034 122.820 -0.027 0.000 1.908 36 A HA -0.236 4.084 4.320 0.000 0.000 0.218 36 A C 2.157 179.722 177.584 -0.031 0.000 1.181 36 A CA 1.821 53.841 52.037 -0.029 0.000 0.627 36 A CB -0.677 18.303 19.000 -0.033 0.000 0.818 36 A HN 0.545 nan 8.150 nan 0.000 0.445 37 E N -1.056 119.125 120.200 -0.031 0.000 2.347 37 E HA -0.068 4.282 4.350 0.000 0.000 0.196 37 E C 1.749 178.333 176.600 -0.027 0.000 1.008 37 E CA 1.096 57.478 56.400 -0.030 0.000 0.852 37 E CB -0.186 29.495 29.700 -0.031 0.000 0.783 37 E HN 0.594 nan 8.360 nan 0.000 0.505 38 T N 0.481 115.020 114.554 -0.025 0.000 2.904 38 T HA -0.099 4.251 4.350 0.000 0.000 0.267 38 T C 2.057 176.745 174.700 -0.020 0.000 1.059 38 T CA 1.312 63.400 62.100 -0.021 0.000 1.137 38 T CB 0.091 68.948 68.868 -0.018 0.000 0.879 38 T HN 0.208 nan 8.240 nan 0.000 0.467 39 V N 1.040 120.941 119.914 -0.022 0.000 3.431 39 V HA 0.204 4.324 4.120 0.000 0.000 0.253 39 V C 2.229 178.308 176.094 -0.026 0.000 1.184 39 V CA 0.521 62.808 62.300 -0.022 0.000 1.104 39 V CB -0.561 31.249 31.823 -0.021 0.000 0.799 39 V HN 0.392 nan 8.190 nan 0.000 0.462 40 R N 2.482 122.965 120.500 -0.029 0.000 2.241 40 R HA -0.119 4.221 4.340 0.000 0.000 0.224 40 R C 1.943 178.223 176.300 -0.033 0.000 1.101 40 R CA 1.890 57.970 56.100 -0.033 0.000 0.995 40 R CB -1.580 28.698 30.300 -0.036 0.000 0.870 40 R HN 0.635 nan 8.270 nan 0.000 0.463 41 T N -2.270 112.267 114.554 -0.029 0.000 3.163 41 T HA -0.056 4.294 4.350 0.000 0.000 0.260 41 T C 1.521 176.203 174.700 -0.029 0.000 1.156 41 T CA 1.009 63.092 62.100 -0.028 0.000 1.072 41 T CB -0.101 68.752 68.868 -0.024 0.000 0.937 41 T HN 0.494 nan 8.240 nan 0.000 0.528 42 T N -1.181 113.356 114.554 -0.028 0.000 3.044 42 T HA 0.395 4.745 4.350 0.000 0.000 0.260 42 T C 0.271 174.952 174.700 -0.032 0.000 1.019 42 T CA -0.655 61.429 62.100 -0.027 0.000 0.921 42 T CB -0.255 68.601 68.868 -0.020 0.000 1.053 42 T HN 0.286 nan 8.240 nan 0.000 0.533 43 L N 2.864 124.065 121.223 -0.037 0.000 2.410 43 L HA 0.568 4.908 4.340 0.000 0.000 0.273 43 L C 0.781 177.620 176.870 -0.053 0.000 1.152 43 L CA 1.780 56.595 54.840 -0.041 0.000 0.855 43 L CB -0.369 41.664 42.059 -0.043 0.000 1.129 43 L HN 0.691 nan 8.230 nan 0.000 0.463 44 G N 4.084 112.853 108.800 -0.051 0.000 2.757 44 G HA2 -0.187 3.773 3.960 0.000 0.000 0.638 44 G HA3 -0.187 3.773 3.960 0.000 0.000 0.638 44 G C -2.161 172.692 174.900 -0.078 0.000 1.344 44 G CA -0.403 44.655 45.100 -0.071 0.000 0.855 44 G HN 0.498 nan 8.290 nan 0.000 0.537 45 P HA 0.013 nan 4.420 nan 0.000 0.218 45 P C 1.580 178.801 177.300 -0.133 0.000 1.149 45 P CA 1.499 64.523 63.100 -0.127 0.000 0.817 45 P CB 0.115 31.618 31.700 -0.328 0.000 0.785 46 K N -0.960 119.334 120.400 -0.176 0.000 2.374 46 K HA 0.207 4.527 4.320 0.000 0.000 0.196 46 K C 1.223 177.778 176.600 -0.074 0.000 1.023 46 K CA 0.076 56.287 56.287 -0.126 0.000 1.103 46 K CB -0.192 32.213 32.500 -0.158 0.000 0.848 46 K HN 0.091 nan 8.250 nan 0.000 0.528 47 G N 1.586 110.347 108.800 -0.065 0.000 2.630 47 G HA2 0.090 4.050 3.960 0.000 0.000 0.236 47 G HA3 0.090 4.050 3.960 0.000 0.000 0.236 47 G C 0.364 175.246 174.900 -0.030 0.000 1.248 47 G CA -0.273 44.800 45.100 -0.045 0.000 0.844 47 G HN -0.078 nan 8.290 nan 0.000 0.588 48 M N 0.155 119.740 119.600 -0.024 0.000 2.363 48 M HA 0.379 4.859 4.480 0.000 0.000 0.280 48 M C -0.180 176.114 176.300 -0.010 0.000 1.182 48 M CA -0.445 54.845 55.300 -0.016 0.000 0.974 48 M CB 0.963 33.553 32.600 -0.016 0.000 1.452 48 M HN 0.376 nan 8.290 nan 0.000 0.507 49 D N 0.229 120.627 120.400 -0.005 0.000 2.392 49 D HA 0.542 5.182 4.640 0.000 0.000 0.246 49 D C -0.730 175.571 176.300 0.001 0.000 1.013 49 D CA -0.389 53.611 54.000 0.001 0.000 0.993 49 D CB 1.530 42.335 40.800 0.008 0.000 1.219 49 D HN 0.251 nan 8.370 nan 0.000 0.538 50 K N 0.447 120.850 120.400 0.005 0.000 2.371 50 K HA 0.479 4.800 4.320 0.000 0.000 0.251 50 K C -0.733 175.875 176.600 0.014 0.000 0.934 50 K CA -0.745 55.545 56.287 0.005 0.000 0.798 50 K CB 2.871 35.371 32.500 0.001 0.000 1.204 50 K HN 0.277 nan 8.250 nan 0.000 0.427 51 M N 4.610 124.218 119.600 0.013 0.000 2.066 51 M HA 0.319 4.799 4.480 0.000 0.000 0.340 51 M C -1.590 174.721 176.300 0.018 0.000 1.053 51 M CA -0.660 54.654 55.300 0.022 0.000 0.983 51 M CB 0.376 32.986 32.600 0.017 0.000 1.520 51 M HN 0.472 nan 8.290 nan 0.000 0.428 52 L N 6.093 127.330 121.223 0.022 0.000 2.262 52 L HA 0.449 4.789 4.340 0.000 0.000 0.288 52 L C -0.743 176.139 176.870 0.019 0.000 1.035 52 L CA -0.862 53.986 54.840 0.015 0.000 0.820 52 L CB 1.282 43.347 42.059 0.009 0.000 1.204 52 L HN 0.406 nan 8.230 nan 0.000 0.424 53 V N 2.438 122.361 119.914 0.015 0.000 2.288 53 V HA 0.057 4.177 4.120 0.000 0.000 0.266 53 V C 0.186 176.287 176.094 0.011 0.000 1.048 53 V CA -0.603 61.707 62.300 0.016 0.000 0.842 53 V CB 1.143 32.975 31.823 0.014 0.000 1.064 53 V HN 0.736 nan 8.190 nan 0.000 0.472 54 D N 3.879 124.285 120.400 0.010 0.000 2.449 54 D HA -0.054 4.586 4.640 0.000 0.000 0.236 54 D C 1.602 177.905 176.300 0.007 0.000 1.149 54 D CA 0.831 54.835 54.000 0.006 0.000 0.878 54 D CB 1.298 42.100 40.800 0.004 0.000 1.198 54 D HN 0.554 nan 8.370 nan 0.000 0.446 55 S N 2.852 118.555 115.700 0.005 0.000 2.420 55 S HA -0.206 4.264 4.470 0.000 0.000 0.237 55 S C 1.802 176.404 174.600 0.005 0.000 1.023 55 S CA 0.786 58.989 58.200 0.005 0.000 0.991 55 S CB -0.498 62.704 63.200 0.004 0.000 0.792 55 S HN 0.610 nan 8.310 nan 0.000 0.488 56 L N 1.207 122.433 121.223 0.005 0.000 2.645 56 L HA 0.305 4.645 4.340 0.000 0.000 0.235 56 L C 1.927 178.801 176.870 0.007 0.000 1.150 56 L CA 0.327 55.170 54.840 0.005 0.000 0.911 56 L CB -0.686 41.375 42.059 0.003 0.000 1.077 56 L HN 0.630 nan 8.230 nan 0.000 0.438 57 G N -0.174 108.631 108.800 0.009 0.000 2.199 57 G HA2 -0.341 3.619 3.960 0.000 0.000 0.254 57 G HA3 -0.341 3.619 3.960 0.000 0.000 0.254 57 G C 0.174 175.085 174.900 0.018 0.000 0.982 57 G CA 0.229 45.337 45.100 0.013 0.000 0.632 57 G HN 0.463 nan 8.290 nan 0.000 0.529 58 D N 0.473 120.882 120.400 0.016 0.000 2.488 58 D HA 0.389 5.029 4.640 0.000 0.000 0.238 58 D C 0.333 176.651 176.300 0.029 0.000 1.138 58 D CA 0.255 54.266 54.000 0.018 0.000 0.873 58 D CB 0.247 41.050 40.800 0.005 0.000 1.183 58 D HN 0.245 nan 8.370 nan 0.000 0.458 59 I N 3.614 124.216 120.570 0.054 0.000 2.418 59 I HA 0.295 4.465 4.170 0.000 0.000 0.287 59 I C -0.704 175.475 176.117 0.102 0.000 1.008 59 I CA -0.801 60.554 61.300 0.092 0.000 1.104 59 I CB 1.927 40.012 38.000 0.141 0.000 1.264 59 I HN 0.093 nan 8.210 nan 0.000 0.438 60 V N 6.792 126.744 119.914 0.065 0.000 2.407 60 V HA 0.472 4.592 4.120 0.000 0.000 0.291 60 V C -0.395 175.742 176.094 0.071 0.000 1.018 60 V CA -0.707 61.612 62.300 0.030 0.000 0.842 60 V CB 2.027 33.843 31.823 -0.011 0.000 0.996 60 V HN 0.418 nan 8.190 nan 0.000 0.426 61 V N 4.456 124.446 119.914 0.128 0.000 2.313 61 V HA 0.688 4.808 4.120 0.000 0.000 0.278 61 V C 0.131 176.264 176.094 0.066 0.000 1.017 61 V CA -0.016 62.349 62.300 0.108 0.000 0.823 61 V CB 1.444 33.359 31.823 0.153 0.000 1.010 61 V HN 0.962 nan 8.190 nan 0.000 0.443 62 T N 2.551 117.123 114.554 0.030 0.000 2.841 62 T HA 0.370 4.720 4.350 0.000 0.000 0.296 62 T C 0.329 175.032 174.700 0.005 0.000 1.166 62 T CA -0.382 61.725 62.100 0.013 0.000 1.007 62 T CB 2.124 70.989 68.868 -0.005 0.000 1.253 62 T HN 0.557 nan 8.240 nan 0.000 0.511 63 N N 0.449 119.148 118.700 -0.001 0.000 2.250 63 N HA 0.171 4.911 4.740 0.000 0.000 0.190 63 N C -0.381 175.123 175.510 -0.011 0.000 1.116 63 N CA -0.124 52.923 53.050 -0.005 0.000 0.881 63 N CB 0.366 38.851 38.487 -0.003 0.000 1.006 63 N HN 0.592 nan 8.380 nan 0.000 0.491 64 D N -0.236 120.156 120.400 -0.014 0.000 2.358 64 D HA -0.012 4.628 4.640 0.000 0.000 0.258 64 D C 1.237 177.526 176.300 -0.018 0.000 1.223 64 D CA -0.086 53.902 54.000 -0.019 0.000 0.886 64 D CB 0.744 41.528 40.800 -0.027 0.000 1.120 64 D HN 0.251 nan 8.370 nan 0.000 0.482 65 C N 4.173 123.462 119.300 -0.018 0.000 2.432 65 C HA -0.086 4.374 4.460 0.000 0.000 0.277 65 C C 2.610 177.591 174.990 -0.016 0.000 1.249 65 C CA 1.308 60.316 59.018 -0.017 0.000 1.725 65 C CB -1.276 26.453 27.740 -0.018 0.000 2.028 65 C HN 0.783 nan 8.230 nan 0.000 0.477 66 A N 0.078 122.888 122.820 -0.017 0.000 1.892 66 A HA -0.186 4.135 4.320 0.000 0.000 0.218 66 A C 2.314 179.888 177.584 -0.017 0.000 1.188 66 A CA 2.887 54.914 52.037 -0.017 0.000 0.631 66 A CB -1.417 17.572 19.000 -0.019 0.000 0.822 66 A HN 0.682 nan 8.150 nan 0.000 0.447 67 T N 0.112 114.654 114.554 -0.021 0.000 2.777 67 T HA -0.027 4.323 4.350 0.000 0.000 0.266 67 T C 1.812 176.503 174.700 -0.016 0.000 1.040 67 T CA 1.378 63.465 62.100 -0.022 0.000 1.141 67 T CB -0.366 68.486 68.868 -0.028 0.000 0.868 67 T HN 0.438 nan 8.240 nan 0.000 0.444 68 I N 0.880 121.442 120.570 -0.014 0.000 2.133 68 I HA -0.109 4.061 4.170 0.000 0.000 0.238 68 I C 2.355 178.467 176.117 -0.008 0.000 1.074 68 I CA 1.220 62.514 61.300 -0.010 0.000 1.342 68 I CB -0.472 37.522 38.000 -0.010 0.000 1.053 68 I HN 0.162 nan 8.210 nan 0.000 0.404 69 L N 0.487 121.704 121.223 -0.009 0.000 2.127 69 L HA -0.271 4.069 4.340 0.000 0.000 0.211 69 L C 2.168 179.035 176.870 -0.005 0.000 1.089 69 L CA 1.719 56.555 54.840 -0.006 0.000 0.757 69 L CB -0.719 41.336 42.059 -0.006 0.000 0.899 69 L HN 0.390 nan 8.230 nan 0.000 0.434 70 D N -0.162 120.234 120.400 -0.007 0.000 2.091 70 D HA -0.163 4.477 4.640 0.000 0.000 0.199 70 D C 2.208 178.504 176.300 -0.007 0.000 0.980 70 D CA 1.082 55.077 54.000 -0.007 0.000 0.831 70 D CB 0.245 41.038 40.800 -0.011 0.000 0.987 70 D HN -0.092 nan 8.370 nan 0.000 0.460 71 K N 0.206 120.601 120.400 -0.008 0.000 2.057 71 K HA 0.002 4.322 4.320 0.000 0.000 0.206 71 K C 0.711 177.309 176.600 -0.003 0.000 1.050 71 K CA 0.243 56.526 56.287 -0.007 0.000 0.935 71 K CB -0.479 32.016 32.500 -0.008 0.000 0.715 71 K HN 0.342 nan 8.250 nan 0.000 0.439 72 I N 2.783 123.352 120.570 -0.002 0.000 2.683 72 I HA -0.130 4.040 4.170 0.000 0.000 0.286 72 I C 0.468 176.587 176.117 0.002 0.000 1.175 72 I CA -0.040 61.260 61.300 0.000 0.000 1.429 72 I CB 0.186 38.186 38.000 -0.000 0.000 1.371 72 I HN 0.007 nan 8.210 nan 0.000 0.569 73 D N 8.218 128.620 120.400 0.004 0.000 2.402 73 D HA 0.228 4.868 4.640 0.000 0.000 0.235 73 D C -0.394 175.911 176.300 0.009 0.000 1.226 73 D CA -0.117 53.886 54.000 0.005 0.000 0.918 73 D CB 0.222 41.025 40.800 0.005 0.000 1.043 73 D HN 0.265 nan 8.370 nan 0.000 0.506 74 L N 3.556 124.786 121.223 0.011 0.000 2.349 74 L HA 0.160 4.500 4.340 0.000 0.000 0.275 74 L C 1.502 178.385 176.870 0.022 0.000 1.115 74 L CA -0.555 54.297 54.840 0.020 0.000 0.820 74 L CB 1.431 43.503 42.059 0.023 0.000 1.135 74 L HN 0.323 nan 8.230 nan 0.000 0.445 75 Q N 0.694 120.516 119.800 0.035 0.000 2.389 75 Q HA 0.029 4.369 4.340 0.000 0.000 0.201 75 Q C 0.378 176.395 176.000 0.028 0.000 0.956 75 Q CA 0.462 56.282 55.803 0.029 0.000 0.871 75 Q CB -0.131 28.627 28.738 0.034 0.000 0.990 75 Q HN 0.579 nan 8.270 nan 0.000 0.554 76 H N 3.595 122.656 119.070 -0.015 0.000 3.070 76 H HA -0.026 4.530 4.556 0.000 0.000 0.313 76 H C -1.620 173.698 175.328 -0.017 0.000 0.997 76 H CA -0.722 55.313 56.048 -0.022 0.000 1.438 76 H CB 1.030 30.770 29.762 -0.038 0.000 1.455 76 H HN -0.069 nan 8.280 nan 0.000 0.575 77 P HA -0.215 nan 4.420 nan 0.000 0.215 77 P C 1.035 178.329 177.300 -0.010 0.000 1.157 77 P CA 2.179 65.174 63.100 -0.175 0.000 0.868 77 P CB 0.045 31.602 31.700 -0.239 0.000 0.788 78 A N -0.279 122.623 122.820 0.137 0.000 2.024 78 A HA -0.115 4.205 4.320 0.000 0.000 0.220 78 A C 2.276 179.958 177.584 0.163 0.000 1.164 78 A CA 2.033 54.202 52.037 0.221 0.000 0.643 78 A CB -1.527 17.657 19.000 0.306 0.000 0.806 78 A HN 0.220 nan 8.150 nan 0.000 0.451 79 A N -0.283 122.660 122.820 0.205 0.000 1.970 79 A HA -0.036 4.284 4.320 0.000 0.000 0.216 79 A C 2.038 179.655 177.584 0.055 0.000 1.170 79 A CA 1.488 53.579 52.037 0.091 0.000 0.645 79 A CB -0.292 18.759 19.000 0.085 0.000 0.816 79 A HN 0.518 nan 8.150 nan 0.000 0.447 80 K N -0.795 119.636 120.400 0.051 0.000 2.148 80 K HA 0.018 4.338 4.320 0.000 0.000 0.204 80 K C 1.849 178.462 176.600 0.021 0.000 1.050 80 K CA 1.400 57.702 56.287 0.025 0.000 0.942 80 K CB -0.235 32.271 32.500 0.011 0.000 0.724 80 K HN 0.455 nan 8.250 nan 0.000 0.446 81 M N -0.009 119.608 119.600 0.028 0.000 2.296 81 M HA -0.082 4.398 4.480 0.000 0.000 0.265 81 M C 1.756 178.068 176.300 0.020 0.000 1.064 81 M CA 1.056 56.370 55.300 0.024 0.000 1.109 81 M CB 0.054 32.673 32.600 0.031 0.000 1.396 81 M HN 0.106 nan 8.290 nan 0.000 0.430 82 M N -0.702 118.910 119.600 0.021 0.000 2.374 82 M HA -0.082 4.398 4.480 0.000 0.000 0.264 82 M C 2.002 178.305 176.300 0.006 0.000 1.067 82 M CA 1.098 56.404 55.300 0.011 0.000 1.103 82 M CB -0.904 31.701 32.600 0.007 0.000 1.402 82 M HN 0.132 nan 8.290 nan 0.000 0.444 83 V N 0.245 120.164 119.914 0.008 0.000 2.358 83 V HA -0.218 3.902 4.120 0.000 0.000 0.246 83 V C 2.087 178.183 176.094 0.003 0.000 1.047 83 V CA 1.486 63.788 62.300 0.003 0.000 1.035 83 V CB -0.753 31.072 31.823 0.004 0.000 0.658 83 V HN 0.472 nan 8.190 nan 0.000 0.452 84 E N 0.062 120.265 120.200 0.006 0.000 2.209 84 E HA -0.173 4.177 4.350 0.000 0.000 0.196 84 E C 2.221 178.824 176.600 0.006 0.000 0.993 84 E CA 1.317 57.720 56.400 0.007 0.000 0.819 84 E CB -0.214 29.492 29.700 0.010 0.000 0.745 84 E HN 0.484 nan 8.360 nan 0.000 0.477 85 V N 1.505 121.422 119.914 0.005 0.000 2.237 85 V HA -0.279 3.841 4.120 0.000 0.000 0.245 85 V C 2.389 178.482 176.094 -0.002 0.000 1.046 85 V CA 2.001 64.303 62.300 0.002 0.000 1.007 85 V CB -0.745 31.077 31.823 -0.002 0.000 0.638 85 V HN 0.329 nan 8.190 nan 0.000 0.445 86 A N -0.327 122.490 122.820 -0.005 0.000 1.972 86 A HA -0.254 4.066 4.320 0.000 0.000 0.219 86 A C 2.205 179.786 177.584 -0.005 0.000 1.169 86 A CA 2.204 54.237 52.037 -0.007 0.000 0.635 86 A CB -0.484 18.510 19.000 -0.009 0.000 0.810 86 A HN 0.487 nan 8.150 nan 0.000 0.446 87 K N -0.529 119.870 120.400 -0.003 0.000 2.057 87 K HA -0.084 4.236 4.320 0.000 0.000 0.207 87 K C 1.910 178.511 176.600 0.001 0.000 1.049 87 K CA 2.195 58.482 56.287 -0.001 0.000 0.931 87 K CB -0.541 31.959 32.500 0.000 0.000 0.714 87 K HN 0.404 nan 8.250 nan 0.000 0.440 88 T N 0.001 114.556 114.554 0.003 0.000 2.942 88 T HA -0.093 4.257 4.350 0.000 0.000 0.265 88 T C 1.636 176.339 174.700 0.004 0.000 1.062 88 T CA 1.192 63.295 62.100 0.005 0.000 1.139 88 T CB -0.147 68.725 68.868 0.007 0.000 0.883 88 T HN 0.278 nan 8.240 nan 0.000 0.468 89 Q N 1.532 121.333 119.800 0.001 0.000 2.119 89 Q HA -0.094 4.246 4.340 0.000 0.000 0.201 89 Q C 1.806 177.806 176.000 -0.000 0.000 0.972 89 Q CA 1.692 57.495 55.803 -0.000 0.000 0.847 89 Q CB -0.412 28.323 28.738 -0.004 0.000 0.903 89 Q HN 0.461 nan 8.270 nan 0.000 0.433 90 D N -0.477 119.922 120.400 -0.002 0.000 2.219 90 D HA -0.132 4.508 4.640 0.000 0.000 0.205 90 D C 1.286 177.587 176.300 0.002 0.000 0.970 90 D CA 0.947 54.945 54.000 -0.003 0.000 0.851 90 D CB 0.035 40.831 40.800 -0.007 0.000 0.943 90 D HN 0.227 nan 8.370 nan 0.000 0.488 91 K N -0.534 119.868 120.400 0.004 0.000 2.404 91 K HA 0.045 4.365 4.320 0.000 0.000 0.194 91 K C 0.683 177.288 176.600 0.009 0.000 1.023 91 K CA 0.357 56.649 56.287 0.007 0.000 1.094 91 K CB 0.395 32.898 32.500 0.007 0.000 0.841 91 K HN -0.013 nan 8.250 nan 0.000 0.523 92 E N -1.470 118.735 120.200 0.009 0.000 2.505 92 E HA 0.142 4.492 4.350 0.000 0.000 0.212 92 E C 0.620 177.226 176.600 0.010 0.000 0.825 92 E CA 0.547 56.953 56.400 0.010 0.000 1.333 92 E CB 1.411 31.116 29.700 0.009 0.000 1.319 92 E HN 0.247 nan 8.360 nan 0.000 0.658 93 A N -0.264 122.561 122.820 0.008 0.000 2.474 93 A HA 0.543 4.863 4.320 0.000 0.000 0.221 93 A C 1.563 179.151 177.584 0.007 0.000 1.298 93 A CA 1.058 53.100 52.037 0.008 0.000 1.008 93 A CB 0.532 19.535 19.000 0.005 0.000 1.217 93 A HN 0.188 nan 8.150 nan 0.000 0.553 94 G N 0.013 108.817 108.800 0.006 0.000 2.779 94 G HA2 -0.335 3.625 3.960 0.000 0.000 0.230 94 G HA3 -0.335 3.625 3.960 0.000 0.000 0.230 94 G C 0.282 175.181 174.900 -0.001 0.000 1.243 94 G CA 0.806 45.908 45.100 0.005 0.000 0.769 94 G HN 0.691 nan 8.290 nan 0.000 0.516 95 D N -0.005 120.395 120.400 0.000 0.000 2.442 95 D HA 0.553 5.193 4.640 0.000 0.000 0.254 95 D C 1.124 177.421 176.300 -0.005 0.000 1.069 95 D CA 0.966 54.964 54.000 -0.003 0.000 1.017 95 D CB 0.800 41.600 40.800 0.001 0.000 1.172 95 D HN 1.496 nan 8.370 nan 0.000 0.561 96 G N 0.134 108.929 108.800 -0.008 0.000 2.182 96 G HA2 -0.277 3.683 3.960 0.000 0.000 0.248 96 G HA3 -0.277 3.683 3.960 0.000 0.000 0.248 96 G C 0.914 175.804 174.900 -0.015 0.000 1.042 96 G CA 1.152 46.244 45.100 -0.012 0.000 0.775 96 G HN 0.616 nan 8.290 nan 0.000 0.501 97 T N -3.491 111.054 114.554 -0.015 0.000 2.857 97 T HA -0.052 4.298 4.350 0.000 0.000 0.266 97 T C 2.273 176.961 174.700 -0.020 0.000 1.048 97 T CA 2.282 64.372 62.100 -0.016 0.000 1.139 97 T CB -0.384 68.475 68.868 -0.015 0.000 0.874 97 T HN 0.304 nan 8.240 nan 0.000 0.455 98 T N 2.205 116.746 114.554 -0.022 0.000 2.674 98 T HA -0.104 4.246 4.350 0.000 0.000 0.265 98 T C 2.253 176.934 174.700 -0.032 0.000 1.039 98 T CA 1.871 63.956 62.100 -0.026 0.000 1.150 98 T CB -1.090 67.763 68.868 -0.026 0.000 0.864 98 T HN 0.470 nan 8.240 nan 0.000 0.427 99 T N 2.225 116.759 114.554 -0.033 0.000 2.624 99 T HA -0.177 4.173 4.350 0.000 0.000 0.268 99 T C 2.371 177.043 174.700 -0.046 0.000 1.041 99 T CA 1.518 63.593 62.100 -0.040 0.000 1.159 99 T CB -0.723 68.124 68.868 -0.035 0.000 0.863 99 T HN 0.463 nan 8.240 nan 0.000 0.434 100 A N 0.647 123.444 122.820 -0.037 0.000 1.908 100 A HA -0.074 4.246 4.320 0.000 0.000 0.218 100 A C 2.606 180.165 177.584 -0.042 0.000 1.181 100 A CA 1.651 53.665 52.037 -0.039 0.000 0.627 100 A CB -0.962 18.023 19.000 -0.024 0.000 0.818 100 A HN 0.385 nan 8.150 nan 0.000 0.445 101 V N -0.627 119.266 119.914 -0.035 0.000 2.453 101 V HA -0.175 3.945 4.120 0.000 0.000 0.247 101 V C 2.547 178.616 176.094 -0.042 0.000 1.048 101 V CA 1.687 63.968 62.300 -0.032 0.000 1.049 101 V CB -0.567 31.241 31.823 -0.024 0.000 0.672 101 V HN 0.362 nan 8.190 nan 0.000 0.457 102 V N 0.205 120.091 119.914 -0.047 0.000 2.295 102 V HA -0.253 3.867 4.120 0.000 0.000 0.246 102 V C 2.188 178.238 176.094 -0.074 0.000 1.049 102 V CA 2.248 64.515 62.300 -0.055 0.000 1.024 102 V CB -0.470 31.321 31.823 -0.054 0.000 0.648 102 V HN 0.450 nan 8.190 nan 0.000 0.447 103 I N 0.396 120.911 120.570 -0.091 0.000 2.454 103 I HA -0.202 3.969 4.170 0.000 0.000 0.254 103 I C 2.584 178.612 176.117 -0.148 0.000 1.156 103 I CA 1.269 62.485 61.300 -0.139 0.000 1.433 103 I CB -0.593 37.307 38.000 -0.166 0.000 1.082 103 I HN 0.294 nan 8.210 nan 0.000 0.432 104 A N 1.115 123.876 122.820 -0.097 0.000 1.898 104 A HA -0.051 4.270 4.320 0.000 0.000 0.216 104 A C 2.462 180.017 177.584 -0.048 0.000 1.181 104 A CA 1.676 53.671 52.037 -0.069 0.000 0.620 104 A CB -1.256 17.723 19.000 -0.035 0.000 0.819 104 A HN 0.427 nan 8.150 nan 0.000 0.442 105 G N -0.667 108.105 108.800 -0.047 0.000 2.418 105 G HA2 -0.191 3.769 3.960 0.000 0.000 0.217 105 G HA3 -0.191 3.769 3.960 0.000 0.000 0.217 105 G C 1.483 176.361 174.900 -0.037 0.000 1.158 105 G CA 0.939 46.018 45.100 -0.035 0.000 0.771 105 G HN 0.442 nan 8.290 nan 0.000 0.545 106 E N 0.006 120.170 120.200 -0.061 0.000 2.051 106 E HA -0.074 4.276 4.350 0.000 0.000 0.192 106 E C 2.630 179.201 176.600 -0.049 0.000 0.991 106 E CA 0.548 56.911 56.400 -0.062 0.000 0.799 106 E CB -0.332 29.311 29.700 -0.095 0.000 0.748 106 E HN 0.257 nan 8.360 nan 0.000 0.449 107 L N 0.812 121.978 121.223 -0.095 0.000 2.079 107 L HA -0.177 4.163 4.340 0.000 0.000 0.210 107 L C 2.401 179.363 176.870 0.153 0.000 1.081 107 L CA 1.303 56.108 54.840 -0.059 0.000 0.752 107 L CB -0.667 41.256 42.059 -0.226 0.000 0.896 107 L HN 0.135 nan 8.230 nan 0.000 0.433 108 L N -1.596 119.678 121.223 0.084 0.000 2.217 108 L HA -0.156 4.184 4.340 0.000 0.000 0.211 108 L C 2.680 179.581 176.870 0.051 0.000 1.107 108 L CA 0.747 55.638 54.840 0.085 0.000 0.783 108 L CB -0.324 41.760 42.059 0.042 0.000 0.919 108 L HN 0.268 nan 8.230 nan 0.000 0.442 109 R N 0.349 120.867 120.500 0.029 0.000 2.057 109 R HA -0.119 4.221 4.340 0.000 0.000 0.229 109 R C 2.208 178.526 176.300 0.029 0.000 1.136 109 R CA 1.014 57.122 56.100 0.013 0.000 0.952 109 R CB 0.121 30.419 30.300 -0.004 0.000 0.848 109 R HN 0.099 nan 8.270 nan 0.000 0.430 110 K N 0.325 120.758 120.400 0.055 0.000 2.280 110 K HA -0.058 4.262 4.320 0.000 0.000 0.202 110 K C 1.844 178.496 176.600 0.088 0.000 1.047 110 K CA 1.166 57.499 56.287 0.077 0.000 0.942 110 K CB -0.147 32.417 32.500 0.107 0.000 0.739 110 K HN 0.271 nan 8.250 nan 0.000 0.457 111 A N 1.413 124.295 122.820 0.103 0.000 1.897 111 A HA -0.147 4.173 4.320 0.000 0.000 0.215 111 A C 2.161 179.728 177.584 -0.030 0.000 1.181 111 A CA 1.307 53.345 52.037 0.001 0.000 0.620 111 A CB -0.331 18.676 19.000 0.013 0.000 0.821 111 A HN 0.397 nan 8.150 nan 0.000 0.443 112 E N 0.055 120.251 120.200 -0.005 0.000 2.153 112 E HA -0.214 4.137 4.350 0.000 0.000 0.194 112 E C 1.793 178.383 176.600 -0.017 0.000 0.988 112 E CA 1.190 57.579 56.400 -0.018 0.000 0.811 112 E CB -0.107 29.584 29.700 -0.014 0.000 0.746 112 E HN 0.738 nan 8.360 nan 0.000 0.466 113 E N 0.345 120.541 120.200 -0.006 0.000 2.058 113 E HA -0.201 4.149 4.350 0.000 0.000 0.194 113 E C 2.214 178.807 176.600 -0.011 0.000 0.997 113 E CA 1.126 57.523 56.400 -0.004 0.000 0.801 113 E CB -0.092 29.613 29.700 0.008 0.000 0.746 113 E HN 0.363 nan 8.360 nan 0.000 0.450 114 L N 0.628 121.840 121.223 -0.019 0.000 2.201 114 L HA -0.151 4.189 4.340 0.000 0.000 0.212 114 L C 2.349 179.197 176.870 -0.038 0.000 1.105 114 L CA 0.526 55.347 54.840 -0.030 0.000 0.775 114 L CB -0.238 41.788 42.059 -0.055 0.000 0.913 114 L HN 0.166 nan 8.230 nan 0.000 0.440 115 L N -0.699 120.498 121.223 -0.044 0.000 2.072 115 L HA -0.162 4.178 4.340 0.000 0.000 0.205 115 L C 2.109 178.958 176.870 -0.034 0.000 1.079 115 L CA 0.892 55.704 54.840 -0.047 0.000 0.752 115 L CB -0.459 41.569 42.059 -0.052 0.000 0.906 115 L HN 0.199 nan 8.230 nan 0.000 0.436 116 D N -0.254 120.131 120.400 -0.025 0.000 2.218 116 D HA -0.230 4.410 4.640 0.000 0.000 0.204 116 D C 2.032 178.323 176.300 -0.015 0.000 0.976 116 D CA 0.994 54.983 54.000 -0.018 0.000 0.853 116 D CB -0.020 40.771 40.800 -0.014 0.000 0.939 116 D HN 0.306 nan 8.370 nan 0.000 0.481 117 Q N -0.038 119.754 119.800 -0.014 0.000 2.482 117 Q HA 0.006 4.346 4.340 0.000 0.000 0.209 117 Q C -0.129 175.866 176.000 -0.008 0.000 0.961 117 Q CA 0.246 56.043 55.803 -0.009 0.000 0.945 117 Q CB -0.083 28.650 28.738 -0.008 0.000 1.012 117 Q HN 0.283 nan 8.270 nan 0.000 0.515 118 N N -1.173 117.519 118.700 -0.013 0.000 2.979 118 N HA -0.163 4.577 4.740 0.000 0.000 0.234 118 N C -0.888 174.620 175.510 -0.004 0.000 0.938 118 N CA 0.150 53.193 53.050 -0.011 0.000 0.961 118 N CB -0.996 37.490 38.487 -0.003 0.000 1.089 118 N HN 0.219 nan 8.380 nan 0.000 0.576 119 I N 1.859 122.425 120.570 -0.006 0.000 2.556 119 I HA -0.016 4.154 4.170 0.000 0.000 0.284 119 I C 1.295 177.422 176.117 0.017 0.000 1.114 119 I CA -0.074 61.233 61.300 0.011 0.000 1.418 119 I CB 0.248 38.244 38.000 -0.006 0.000 1.394 119 I HN 0.166 nan 8.210 nan 0.000 0.552 120 H N 9.550 128.601 119.070 -0.030 0.000 3.034 120 H HA 0.021 4.577 4.556 0.000 0.000 0.324 120 H C -1.479 173.825 175.328 -0.039 0.000 1.015 120 H CA -1.165 54.866 56.048 -0.028 0.000 1.429 120 H CB 1.335 31.084 29.762 -0.022 0.000 1.429 120 H HN 0.418 nan 8.280 nan 0.000 0.585 121 P HA -0.244 nan 4.420 nan 0.000 0.216 121 P C 1.661 179.021 177.300 0.099 0.000 1.154 121 P CA 1.842 64.919 63.100 -0.037 0.000 0.865 121 P CB 0.139 31.776 31.700 -0.104 0.000 0.789 122 S N -0.575 115.335 115.700 0.349 0.000 2.392 122 S HA -0.167 4.303 4.470 0.000 0.000 0.232 122 S C 1.994 176.639 174.600 0.075 0.000 1.041 122 S CA 1.356 59.675 58.200 0.197 0.000 1.026 122 S CB -0.818 62.450 63.200 0.114 0.000 0.845 122 S HN -0.094 nan 8.310 nan 0.000 0.465 123 I N 1.532 122.146 120.570 0.074 0.000 2.286 123 I HA -0.065 4.105 4.170 0.000 0.000 0.245 123 I C 2.373 178.473 176.117 -0.028 0.000 1.104 123 I CA 0.995 62.302 61.300 0.012 0.000 1.397 123 I CB -1.330 36.678 38.000 0.013 0.000 1.072 123 I HN 0.392 nan 8.210 nan 0.000 0.417 124 I N 0.915 121.443 120.570 -0.071 0.000 2.142 124 I HA -0.303 3.867 4.170 0.000 0.000 0.240 124 I C 2.605 178.595 176.117 -0.213 0.000 1.078 124 I CA 1.531 62.701 61.300 -0.217 0.000 1.343 124 I CB -0.416 37.405 38.000 -0.298 0.000 1.046 124 I HN 0.073 nan 8.210 nan 0.000 0.405 125 I N 0.802 121.319 120.570 -0.088 0.000 2.091 125 I HA -0.327 3.844 4.170 0.000 0.000 0.239 125 I C 2.656 178.814 176.117 0.069 0.000 1.061 125 I CA 1.491 62.803 61.300 0.019 0.000 1.317 125 I CB -0.561 37.465 38.000 0.042 0.000 1.031 125 I HN 0.186 nan 8.210 nan 0.000 0.401 126 K N 0.892 121.314 120.400 0.037 0.000 2.113 126 K HA -0.151 4.169 4.320 0.000 0.000 0.208 126 K C 2.066 178.694 176.600 0.046 0.000 1.047 126 K CA 1.693 58.003 56.287 0.038 0.000 0.928 126 K CB -0.945 31.564 32.500 0.015 0.000 0.716 126 K HN 0.524 nan 8.250 nan 0.000 0.446 127 G N -0.700 108.125 108.800 0.043 0.000 2.448 127 G HA2 -0.193 3.767 3.960 0.000 0.000 0.218 127 G HA3 -0.193 3.767 3.960 0.000 0.000 0.218 127 G C 1.511 176.503 174.900 0.153 0.000 1.135 127 G CA 0.192 45.328 45.100 0.060 0.000 0.784 127 G HN 0.316 nan 8.290 nan 0.000 0.543 128 Y N 0.674 120.959 120.300 -0.025 0.000 2.220 128 Y HA 0.012 4.562 4.550 0.000 0.000 0.291 128 Y C 3.194 178.986 175.900 -0.180 0.000 1.129 128 Y CA 0.333 58.402 58.100 -0.052 0.000 1.161 128 Y CB 0.174 38.717 38.460 0.139 0.000 0.997 128 Y HN 0.293 nan 8.280 nan 0.000 0.522 129 A N 0.340 123.217 122.820 0.095 0.000 1.902 129 A HA -0.180 4.140 4.320 0.000 0.000 0.217 129 A C 2.120 179.679 177.584 -0.042 0.000 1.181 129 A CA 1.320 53.369 52.037 0.020 0.000 0.623 129 A CB -1.003 18.027 19.000 0.050 0.000 0.818 129 A HN 0.461 nan 8.150 nan 0.000 0.443 130 L N -0.957 120.265 121.223 -0.001 0.000 2.083 130 L HA -0.194 4.146 4.340 0.000 0.000 0.209 130 L C 3.089 179.982 176.870 0.039 0.000 1.083 130 L CA 1.092 55.977 54.840 0.075 0.000 0.752 130 L CB -0.623 41.529 42.059 0.156 0.000 0.899 130 L HN 0.465 nan 8.230 nan 0.000 0.433 131 A N 0.050 122.763 122.820 -0.180 0.000 1.898 131 A HA -0.096 4.224 4.320 0.000 0.000 0.216 131 A C 2.551 179.739 177.584 -0.660 0.000 1.181 131 A CA 1.537 53.289 52.037 -0.473 0.000 0.620 131 A CB -0.605 17.782 19.000 -1.022 0.000 0.819 131 A HN 0.377 nan 8.150 nan 0.000 0.442 132 A N -0.614 121.776 122.820 -0.715 0.000 1.877 132 A HA -0.167 4.153 4.320 0.000 0.000 0.216 132 A C 2.035 179.540 177.584 -0.131 0.000 1.186 132 A CA 1.779 53.642 52.037 -0.290 0.000 0.620 132 A CB -0.482 18.462 19.000 -0.093 0.000 0.822 132 A HN 0.417 nan 8.150 nan 0.000 0.443 133 E N -0.343 119.782 120.200 -0.126 0.000 2.110 133 E HA -0.174 4.176 4.350 0.000 0.000 0.193 133 E C 1.914 178.430 176.600 -0.140 0.000 0.988 133 E CA 1.434 57.778 56.400 -0.092 0.000 0.804 133 E CB -0.129 29.532 29.700 -0.065 0.000 0.745 133 E HN 0.494 nan 8.360 nan 0.000 0.458 134 K N 0.349 120.613 120.400 -0.226 0.000 2.432 134 K HA 0.061 4.381 4.320 0.000 0.000 0.196 134 K C 1.540 178.009 176.600 -0.219 0.000 1.038 134 K CA 0.873 56.951 56.287 -0.349 0.000 0.986 134 K CB -0.087 31.943 32.500 -0.784 0.000 0.782 134 K HN 0.058 nan 8.250 nan 0.000 0.485 135 A N 0.092 122.834 122.820 -0.129 0.000 1.903 135 A HA -0.071 4.249 4.320 0.000 0.000 0.213 135 A C 1.859 179.425 177.584 -0.030 0.000 1.185 135 A CA 0.717 52.730 52.037 -0.039 0.000 0.628 135 A CB -0.354 18.678 19.000 0.054 0.000 0.830 135 A HN 0.247 nan 8.150 nan 0.000 0.446 136 Q N 0.023 119.803 119.800 -0.034 0.000 2.045 136 Q HA -0.253 4.087 4.340 0.000 0.000 0.206 136 Q C 1.917 177.896 176.000 -0.035 0.000 0.991 136 Q CA 1.977 57.766 55.803 -0.023 0.000 0.851 136 Q CB -0.656 28.068 28.738 -0.023 0.000 0.911 136 Q HN 0.875 nan 8.270 nan 0.000 0.418 137 E N 0.350 120.513 120.200 -0.062 0.000 2.065 137 E HA -0.204 4.146 4.350 0.000 0.000 0.201 137 E C 2.090 178.658 176.600 -0.053 0.000 1.016 137 E CA 1.279 57.638 56.400 -0.067 0.000 0.818 137 E CB -0.175 29.459 29.700 -0.111 0.000 0.749 137 E HN 0.343 nan 8.360 nan 0.000 0.453 138 I N 0.681 121.216 120.570 -0.058 0.000 2.286 138 I HA -0.287 3.883 4.170 0.000 0.000 0.248 138 I C 2.379 178.490 176.117 -0.009 0.000 1.115 138 I CA 0.775 62.056 61.300 -0.032 0.000 1.392 138 I CB -0.147 37.837 38.000 -0.026 0.000 1.065 138 I HN 0.227 nan 8.210 nan 0.000 0.418 139 L N 0.023 121.242 121.223 -0.007 0.000 2.044 139 L HA -0.193 4.147 4.340 0.000 0.000 0.205 139 L C 2.132 179.003 176.870 0.001 0.000 1.075 139 L CA 1.164 56.006 54.840 0.004 0.000 0.747 139 L CB -0.627 41.435 42.059 0.006 0.000 0.903 139 L HN 0.202 nan 8.230 nan 0.000 0.435 140 D N -0.225 120.172 120.400 -0.005 0.000 2.182 140 D HA -0.229 4.411 4.640 0.000 0.000 0.201 140 D C 1.987 178.285 176.300 -0.003 0.000 0.986 140 D CA 1.146 55.143 54.000 -0.004 0.000 0.847 140 D CB 0.071 40.865 40.800 -0.009 0.000 0.942 140 D HN 0.396 nan 8.370 nan 0.000 0.467 141 E N 0.309 120.505 120.200 -0.006 0.000 2.021 141 E HA -0.091 4.259 4.350 0.000 0.000 0.189 141 E C 2.305 178.907 176.600 0.003 0.000 0.980 141 E CA 0.484 56.882 56.400 -0.004 0.000 0.803 141 E CB 0.002 29.697 29.700 -0.009 0.000 0.766 141 E HN 0.365 nan 8.360 nan 0.000 0.449 142 I N -0.557 120.017 120.570 0.008 0.000 2.916 142 I HA 0.098 4.268 4.170 0.000 0.000 0.267 142 I C 0.964 177.089 176.117 0.014 0.000 1.263 142 I CA 0.076 61.384 61.300 0.014 0.000 1.471 142 I CB -0.492 37.525 38.000 0.028 0.000 1.089 142 I HN -0.097 nan 8.210 nan 0.000 0.468 143 A N 2.291 125.117 122.820 0.011 0.000 2.540 143 A HA 0.302 4.622 4.320 0.000 0.000 0.239 143 A C 0.224 177.814 177.584 0.010 0.000 1.061 143 A CA 0.010 52.054 52.037 0.011 0.000 0.758 143 A CB -0.285 18.720 19.000 0.009 0.000 0.991 143 A HN 0.449 nan 8.150 nan 0.000 0.502 144 I N 4.202 124.778 120.570 0.010 0.000 2.278 144 I HA 0.095 4.265 4.170 0.000 0.000 0.296 144 I C 0.345 176.467 176.117 0.008 0.000 1.121 144 I CA -0.419 60.886 61.300 0.008 0.000 1.267 144 I CB 0.144 38.149 38.000 0.008 0.000 1.447 144 I HN 0.517 nan 8.210 nan 0.000 0.509 145 R N 4.943 125.448 120.500 0.009 0.000 2.446 145 R HA 0.170 4.511 4.340 0.000 0.000 0.325 145 R C -0.270 176.036 176.300 0.010 0.000 0.997 145 R CA -0.006 56.100 56.100 0.010 0.000 1.010 145 R CB 0.599 30.906 30.300 0.011 0.000 0.946 145 R HN 0.375 nan 8.270 nan 0.000 0.422 146 V N 1.855 121.775 119.914 0.011 0.000 3.177 146 V HA 0.222 4.343 4.120 0.000 0.000 0.319 146 V C -0.367 175.735 176.094 0.014 0.000 1.125 146 V CA -0.888 61.418 62.300 0.009 0.000 1.029 146 V CB 2.283 34.109 31.823 0.004 0.000 1.119 146 V HN 0.620 nan 8.190 nan 0.000 0.452 147 D N 3.287 123.695 120.400 0.013 0.000 2.336 147 D HA 0.329 4.969 4.640 0.000 0.000 0.249 147 D C -1.627 174.683 176.300 0.017 0.000 1.213 147 D CA -1.820 52.194 54.000 0.023 0.000 0.870 147 D CB 1.630 42.444 40.800 0.023 0.000 1.076 147 D HN 0.272 nan 8.370 nan 0.000 0.483 148 P HA -0.228 nan 4.420 nan 0.000 0.227 148 P C 0.010 177.240 177.300 -0.117 0.000 1.154 148 P CA 1.531 64.638 63.100 0.011 0.000 0.879 148 P CB 0.207 32.013 31.700 0.177 0.000 0.779 149 D N -4.351 116.016 120.400 -0.054 0.000 2.527 149 D HA 0.031 4.671 4.640 0.000 0.000 0.224 149 D C -0.128 176.146 176.300 -0.043 0.000 1.217 149 D CA -0.340 53.599 54.000 -0.102 0.000 0.819 149 D CB -1.127 39.643 40.800 -0.050 0.000 1.061 149 D HN 0.026 nan 8.370 nan 0.000 0.515 150 D N 2.014 122.402 120.400 -0.021 0.000 2.419 150 D HA -0.121 4.519 4.640 0.000 0.000 0.281 150 D C 1.195 177.483 176.300 -0.020 0.000 1.398 150 D CA 0.301 54.295 54.000 -0.010 0.000 1.047 150 D CB 0.531 41.328 40.800 -0.004 0.000 1.115 150 D HN 0.326 nan 8.370 nan 0.000 0.540 151 E N 2.484 122.673 120.200 -0.018 0.000 2.219 151 E HA -0.318 4.032 4.350 0.000 0.000 0.198 151 E C 1.317 177.909 176.600 -0.014 0.000 0.998 151 E CA 1.195 57.583 56.400 -0.020 0.000 0.818 151 E CB 0.170 29.863 29.700 -0.013 0.000 0.741 151 E HN 0.584 nan 8.360 nan 0.000 0.477 152 E N 0.210 120.405 120.200 -0.009 0.000 2.013 152 E HA -0.225 4.125 4.350 0.000 0.000 0.202 152 E C 2.101 178.697 176.600 -0.006 0.000 1.018 152 E CA 2.829 59.225 56.400 -0.005 0.000 0.834 152 E CB -0.790 28.909 29.700 -0.003 0.000 0.770 152 E HN 0.347 nan 8.360 nan 0.000 0.459 153 T N -1.212 113.338 114.554 -0.007 0.000 2.915 153 T HA -0.116 4.234 4.350 0.000 0.000 0.269 153 T C 1.863 176.557 174.700 -0.010 0.000 1.071 153 T CA 1.088 63.184 62.100 -0.006 0.000 1.132 153 T CB -0.332 68.533 68.868 -0.005 0.000 0.878 153 T HN 0.132 nan 8.240 nan 0.000 0.479 154 L N 0.128 121.340 121.223 -0.019 0.000 2.201 154 L HA 0.198 4.538 4.340 0.000 0.000 0.212 154 L C 2.331 179.192 176.870 -0.015 0.000 1.105 154 L CA 1.070 55.894 54.840 -0.027 0.000 0.775 154 L CB -0.702 41.330 42.059 -0.046 0.000 0.913 154 L HN 0.285 nan 8.230 nan 0.000 0.440 155 L N -1.128 120.090 121.223 -0.010 0.000 2.179 155 L HA -0.121 4.219 4.340 0.000 0.000 0.208 155 L C 2.314 179.185 176.870 0.002 0.000 1.096 155 L CA 1.260 56.099 54.840 -0.003 0.000 0.779 155 L CB -0.725 41.333 42.059 -0.002 0.000 0.922 155 L HN 0.327 nan 8.230 nan 0.000 0.443 156 K N -0.398 120.003 120.400 0.002 0.000 2.007 156 K HA -0.109 4.212 4.320 0.000 0.000 0.206 156 K C 2.004 178.610 176.600 0.011 0.000 1.047 156 K CA 0.856 57.147 56.287 0.006 0.000 0.937 156 K CB 0.044 32.548 32.500 0.006 0.000 0.718 156 K HN 0.055 nan 8.250 nan 0.000 0.438 157 I N 1.751 122.325 120.570 0.007 0.000 2.113 157 I HA -0.319 3.851 4.170 0.000 0.000 0.242 157 I C 2.546 178.671 176.117 0.013 0.000 1.064 157 I CA 1.732 63.038 61.300 0.009 0.000 1.320 157 I CB -1.414 36.586 38.000 0.001 0.000 1.028 157 I HN 0.176 nan 8.210 nan 0.000 0.406 158 A N 0.585 123.412 122.820 0.011 0.000 1.908 158 A HA -0.150 4.170 4.320 0.000 0.000 0.218 158 A C 2.548 180.147 177.584 0.024 0.000 1.181 158 A CA 2.290 54.337 52.037 0.018 0.000 0.627 158 A CB -0.779 18.231 19.000 0.017 0.000 0.818 158 A HN 0.476 nan 8.150 nan 0.000 0.445 159 A N -1.189 121.644 122.820 0.022 0.000 1.872 159 A HA -0.038 4.282 4.320 0.000 0.000 0.214 159 A C 2.287 179.892 177.584 0.034 0.000 1.187 159 A CA 2.142 54.194 52.037 0.025 0.000 0.614 159 A CB -1.306 17.704 19.000 0.016 0.000 0.826 159 A HN 0.415 nan 8.150 nan 0.000 0.442 160 T N -0.259 114.316 114.554 0.035 0.000 2.737 160 T HA -0.163 4.187 4.350 0.000 0.000 0.269 160 T C 2.232 176.960 174.700 0.047 0.000 1.040 160 T CA 1.765 63.894 62.100 0.049 0.000 1.142 160 T CB -0.336 68.556 68.868 0.040 0.000 0.861 160 T HN 0.515 nan 8.240 nan 0.000 0.456 161 S N 0.628 116.349 115.700 0.034 0.000 2.355 161 S HA -0.031 4.439 4.470 0.000 0.000 0.222 161 S C 2.007 176.626 174.600 0.032 0.000 1.031 161 S CA 0.882 59.099 58.200 0.028 0.000 0.993 161 S CB -0.434 62.779 63.200 0.021 0.000 0.859 161 S HN 0.496 nan 8.310 nan 0.000 0.453 162 I N 1.078 121.670 120.570 0.037 0.000 2.361 162 I HA -0.080 4.090 4.170 0.000 0.000 0.251 162 I C 0.703 176.852 176.117 0.054 0.000 1.133 162 I CA 0.804 62.128 61.300 0.041 0.000 1.413 162 I CB -0.549 37.478 38.000 0.044 0.000 1.073 162 I HN 0.185 nan 8.210 nan 0.000 0.424 163 T N 1.620 116.217 114.554 0.071 0.000 3.781 163 T HA 0.383 4.733 4.350 0.000 0.000 0.286 163 T C 0.815 175.578 174.700 0.104 0.000 1.277 163 T CA 0.427 62.599 62.100 0.121 0.000 1.136 163 T CB 0.013 68.984 68.868 0.172 0.000 1.202 163 T HN 0.586 nan 8.240 nan 0.000 0.884 164 G N 1.826 110.666 108.800 0.067 0.000 4.469 164 G HA2 0.117 4.077 3.960 0.000 0.000 0.183 164 G HA3 0.117 4.077 3.960 0.000 0.000 0.183 164 G C 0.109 175.019 174.900 0.018 0.000 0.797 164 G CA -0.427 44.690 45.100 0.029 0.000 0.770 164 G HN 0.434 nan 8.290 nan 0.000 0.484 165 K N -0.303 120.115 120.400 0.031 0.000 2.261 165 K HA 0.358 4.678 4.320 0.000 0.000 0.242 165 K C 0.731 177.351 176.600 0.032 0.000 1.083 165 K CA -0.639 55.661 56.287 0.022 0.000 0.880 165 K CB 1.513 34.022 32.500 0.016 0.000 1.353 165 K HN 0.021 nan 8.250 nan 0.000 0.486 166 N N 0.603 119.319 118.700 0.027 0.000 2.043 166 N HA -0.189 4.551 4.740 0.000 0.000 0.193 166 N C 1.283 176.817 175.510 0.039 0.000 1.037 166 N CA 1.332 54.401 53.050 0.032 0.000 0.851 166 N CB -0.040 38.466 38.487 0.032 0.000 1.027 166 N HN 0.571 nan 8.380 nan 0.000 0.422 167 A N 1.321 124.171 122.820 0.050 0.000 2.277 167 A HA -0.107 4.213 4.320 0.000 0.000 0.208 167 A C 1.510 179.133 177.584 0.064 0.000 1.202 167 A CA 0.645 52.728 52.037 0.077 0.000 0.762 167 A CB -0.675 18.378 19.000 0.087 0.000 0.770 167 A HN 0.708 nan 8.150 nan 0.000 0.487 168 E N 0.641 120.863 120.200 0.038 0.000 2.455 168 E HA -0.200 4.150 4.350 0.000 0.000 0.202 168 E C 1.561 178.134 176.600 -0.045 0.000 1.045 168 E CA 1.212 57.627 56.400 0.025 0.000 0.872 168 E CB -0.662 29.076 29.700 0.063 0.000 0.792 168 E HN 0.700 nan 8.360 nan 0.000 0.542 169 S N 1.112 116.741 115.700 -0.117 0.000 2.383 169 S HA -0.200 4.271 4.470 0.000 0.000 0.229 169 S C 0.667 174.950 174.600 -0.527 0.000 1.030 169 S CA 1.447 59.434 58.200 -0.355 0.000 1.002 169 S CB -0.538 62.363 63.200 -0.498 0.000 0.829 169 S HN 0.565 nan 8.310 nan 0.000 0.467 170 H N 1.086 120.160 119.070 0.007 0.000 2.551 170 H HA 0.395 4.951 4.556 0.000 0.000 0.238 170 H C 1.011 176.342 175.328 0.006 0.000 1.345 170 H CA -0.420 55.631 56.048 0.005 0.000 1.105 170 H CB 0.291 30.059 29.762 0.011 0.000 1.805 170 H HN 0.533 nan 8.280 nan 0.000 0.553 171 K N 0.237 120.670 120.400 0.054 0.000 2.209 171 K HA -0.195 4.125 4.320 0.000 0.000 0.204 171 K C 1.587 178.213 176.600 0.043 0.000 1.048 171 K CA 1.600 57.913 56.287 0.044 0.000 0.940 171 K CB 0.408 32.916 32.500 0.012 0.000 0.729 171 K HN 0.213 nan 8.250 nan 0.000 0.451 172 E N 1.524 121.748 120.200 0.039 0.000 2.007 172 E HA -0.206 4.144 4.350 0.000 0.000 0.194 172 E C 1.910 178.535 176.600 0.042 0.000 0.999 172 E CA 1.370 57.789 56.400 0.031 0.000 0.811 172 E CB -0.418 29.297 29.700 0.025 0.000 0.762 172 E HN 0.318 nan 8.360 nan 0.000 0.450 173 L N 0.386 121.646 121.223 0.063 0.000 1.955 173 L HA -0.133 4.207 4.340 0.000 0.000 0.213 173 L C 2.377 179.275 176.870 0.047 0.000 1.072 173 L CA 1.920 56.790 54.840 0.050 0.000 0.755 173 L CB -0.873 41.217 42.059 0.051 0.000 0.888 173 L HN 0.345 nan 8.230 nan 0.000 0.432 174 L N -0.328 120.933 121.223 0.062 0.000 2.081 174 L HA -0.267 4.073 4.340 0.000 0.000 0.212 174 L C 2.683 179.585 176.870 0.054 0.000 1.080 174 L CA 1.343 56.219 54.840 0.061 0.000 0.754 174 L CB -1.106 40.998 42.059 0.074 0.000 0.893 174 L HN 0.484 nan 8.230 nan 0.000 0.433 175 A N 0.044 122.891 122.820 0.045 0.000 1.877 175 A HA -0.250 4.070 4.320 0.000 0.000 0.216 175 A C 2.423 180.023 177.584 0.027 0.000 1.186 175 A CA 1.963 54.021 52.037 0.034 0.000 0.620 175 A CB -0.451 18.565 19.000 0.026 0.000 0.822 175 A HN 0.338 nan 8.150 nan 0.000 0.443 176 K N -0.209 120.206 120.400 0.024 0.000 2.063 176 K HA -0.085 4.235 4.320 0.000 0.000 0.208 176 K C 1.860 178.469 176.600 0.016 0.000 1.048 176 K CA 1.484 57.781 56.287 0.017 0.000 0.928 176 K CB -0.337 32.173 32.500 0.016 0.000 0.713 176 K HN 0.490 nan 8.250 nan 0.000 0.442 177 L N 0.174 121.412 121.223 0.024 0.000 2.131 177 L HA -0.140 4.200 4.340 0.000 0.000 0.210 177 L C 2.565 179.449 176.870 0.023 0.000 1.092 177 L CA 1.136 55.990 54.840 0.023 0.000 0.759 177 L CB -0.533 41.547 42.059 0.036 0.000 0.903 177 L HN 0.289 nan 8.230 nan 0.000 0.435 178 A N -0.359 122.484 122.820 0.038 0.000 1.970 178 A HA -0.049 4.271 4.320 0.000 0.000 0.216 178 A C 2.252 179.845 177.584 0.015 0.000 1.170 178 A CA 1.091 53.154 52.037 0.043 0.000 0.645 178 A CB -0.441 18.597 19.000 0.064 0.000 0.816 178 A HN 0.197 nan 8.150 nan 0.000 0.447 179 V N -0.192 119.726 119.914 0.005 0.000 2.591 179 V HA -0.175 3.945 4.120 0.000 0.000 0.249 179 V C 2.362 178.444 176.094 -0.019 0.000 1.053 179 V CA 1.960 64.252 62.300 -0.012 0.000 1.068 179 V CB -0.606 31.209 31.823 -0.013 0.000 0.689 179 V HN 0.714 nan 8.190 nan 0.000 0.462 180 E N 0.566 120.759 120.200 -0.011 0.000 2.046 180 E HA -0.162 4.188 4.350 0.000 0.000 0.190 180 E C 2.297 178.885 176.600 -0.021 0.000 0.982 180 E CA 1.191 57.584 56.400 -0.013 0.000 0.800 180 E CB -0.187 29.509 29.700 -0.006 0.000 0.756 180 E HN 0.538 nan 8.360 nan 0.000 0.449 181 A N 0.494 123.298 122.820 -0.027 0.000 1.883 181 A HA -0.154 4.166 4.320 0.000 0.000 0.217 181 A C 2.386 179.943 177.584 -0.045 0.000 1.186 181 A CA 1.522 53.529 52.037 -0.049 0.000 0.624 181 A CB -0.704 18.253 19.000 -0.072 0.000 0.822 181 A HN 0.228 nan 8.150 nan 0.000 0.444 182 V N 0.007 119.901 119.914 -0.034 0.000 2.358 182 V HA -0.231 3.889 4.120 0.000 0.000 0.246 182 V C 2.400 178.474 176.094 -0.034 0.000 1.047 182 V CA 2.237 64.518 62.300 -0.032 0.000 1.035 182 V CB -0.630 31.174 31.823 -0.031 0.000 0.658 182 V HN 0.539 nan 8.190 nan 0.000 0.452 183 K N -0.312 120.063 120.400 -0.041 0.000 2.152 183 K HA -0.267 4.053 4.320 0.000 0.000 0.206 183 K C 2.212 178.814 176.600 0.003 0.000 1.048 183 K CA 1.639 57.904 56.287 -0.036 0.000 0.933 183 K CB -0.120 32.359 32.500 -0.036 0.000 0.721 183 K HN 0.372 nan 8.250 nan 0.000 0.447 184 Q N 0.870 120.668 119.800 -0.004 0.000 1.994 184 Q HA -0.114 4.226 4.340 0.000 0.000 0.198 184 Q C 1.949 177.955 176.000 0.010 0.000 0.976 184 Q CA 1.827 57.633 55.803 0.004 0.000 0.828 184 Q CB -0.095 28.637 28.738 -0.011 0.000 0.894 184 Q HN 0.214 nan 8.270 nan 0.000 0.432 185 V N -1.034 118.878 119.914 -0.005 0.000 2.970 185 V HA 0.243 4.363 4.120 0.000 0.000 0.260 185 V C 1.121 177.230 176.094 0.025 0.000 1.100 185 V CA 0.412 62.711 62.300 -0.002 0.000 1.122 185 V CB -1.892 29.917 31.823 -0.024 0.000 0.721 185 V HN 0.369 nan 8.190 nan 0.000 0.483 186 A N 0.751 123.598 122.820 0.044 0.000 2.586 186 A HA 0.305 4.625 4.320 0.000 0.000 0.231 186 A C 0.207 177.868 177.584 0.129 0.000 1.055 186 A CA 0.549 52.647 52.037 0.100 0.000 0.756 186 A CB -0.049 19.024 19.000 0.122 0.000 0.988 186 A HN 0.690 nan 8.150 nan 0.000 0.509 187 E N -0.136 120.149 120.200 0.141 0.000 2.317 187 E HA 0.637 4.987 4.350 0.000 0.000 0.270 187 E C -0.873 175.744 176.600 0.028 0.000 0.885 187 E CA -0.547 55.897 56.400 0.073 0.000 0.760 187 E CB 1.420 31.141 29.700 0.036 0.000 1.227 187 E HN 0.548 nan 8.360 nan 0.000 0.434 188 K N 2.931 123.285 120.400 -0.077 0.000 2.690 188 K HA 0.249 4.569 4.320 0.000 0.000 0.264 188 K C -1.016 175.496 176.600 -0.145 0.000 1.040 188 K CA -0.422 55.737 56.287 -0.213 0.000 0.946 188 K CB 0.339 32.497 32.500 -0.569 0.000 1.268 188 K HN 0.382 nan 8.250 nan 0.000 0.473 189 K N 1.897 122.236 120.400 -0.101 0.000 2.554 189 K HA 0.146 4.466 4.320 0.000 0.000 0.211 189 K C -0.101 176.461 176.600 -0.063 0.000 1.226 189 K CA 0.240 56.485 56.287 -0.071 0.000 1.025 189 K CB 0.418 32.892 32.500 -0.043 0.000 1.021 189 K HN 0.501 nan 8.250 nan 0.000 0.600 190 D N -0.632 119.725 120.400 -0.073 0.000 2.500 190 D HA 0.253 4.893 4.640 0.000 0.000 0.217 190 D C 1.024 177.288 176.300 -0.061 0.000 1.159 190 D CA 0.378 54.345 54.000 -0.054 0.000 0.828 190 D CB 0.982 41.760 40.800 -0.038 0.000 1.039 190 D HN 0.295 nan 8.370 nan 0.000 0.512 191 G N 0.891 109.634 108.800 -0.095 0.000 2.612 191 G HA2 -0.190 3.770 3.960 0.000 0.000 0.200 191 G HA3 -0.190 3.770 3.960 0.000 0.000 0.200 191 G C 0.112 174.937 174.900 -0.124 0.000 1.053 191 G CA -0.413 44.632 45.100 -0.091 0.000 0.707 191 G HN 0.259 nan 8.290 nan 0.000 0.497 192 K N -0.107 120.229 120.400 -0.107 0.000 2.295 192 K HA 0.661 4.981 4.320 0.000 0.000 0.239 192 K C -0.795 175.731 176.600 -0.123 0.000 0.991 192 K CA -0.907 55.334 56.287 -0.077 0.000 0.845 192 K CB 1.627 34.139 32.500 0.019 0.000 1.197 192 K HN 0.131 nan 8.250 nan 0.000 0.441 193 Y N 0.011 120.312 120.300 0.002 0.000 2.299 193 Y HA 0.270 4.820 4.550 0.000 0.000 0.335 193 Y C 0.255 176.156 175.900 0.002 0.000 1.287 193 Y CA -0.368 57.733 58.100 0.002 0.000 1.424 193 Y CB 0.904 39.365 38.460 0.003 0.000 1.326 193 Y HN 0.045 nan 8.280 nan 0.000 0.567 194 V N 2.313 122.333 119.914 0.175 0.000 2.610 194 V HA 0.230 4.350 4.120 0.000 0.000 0.288 194 V C -1.218 174.929 176.094 0.088 0.000 1.055 194 V CA -0.883 61.474 62.300 0.096 0.000 0.902 194 V CB 1.440 33.293 31.823 0.050 0.000 1.030 194 V HN 0.478 nan 8.190 nan 0.000 0.448 195 V N 3.354 123.310 119.914 0.070 0.000 2.370 195 V HA 0.427 4.547 4.120 0.000 0.000 0.283 195 V C -0.082 176.030 176.094 0.031 0.000 1.023 195 V CA -0.375 61.954 62.300 0.048 0.000 0.857 195 V CB 1.813 33.657 31.823 0.034 0.000 0.985 195 V HN 0.866 nan 8.190 nan 0.000 0.443 196 D N 4.798 125.211 120.400 0.023 0.000 2.456 196 D HA 0.238 4.878 4.640 0.000 0.000 0.219 196 D C 1.003 177.308 176.300 0.009 0.000 1.126 196 D CA -0.270 53.739 54.000 0.015 0.000 0.890 196 D CB 1.266 42.071 40.800 0.009 0.000 1.025 196 D HN 0.492 nan 8.370 nan 0.000 0.511 197 L N 2.261 123.494 121.223 0.018 0.000 2.549 197 L HA -0.105 4.235 4.340 0.000 0.000 0.230 197 L C 1.291 178.170 176.870 0.014 0.000 1.162 197 L CA 0.505 55.358 54.840 0.021 0.000 0.834 197 L CB -0.066 42.023 42.059 0.051 0.000 0.947 197 L HN 0.276 nan 8.230 nan 0.000 0.452 198 D N 0.115 120.519 120.400 0.008 0.000 2.348 198 D HA -0.097 4.543 4.640 0.000 0.000 0.216 198 D C 1.235 177.518 176.300 -0.029 0.000 0.970 198 D CA 0.683 54.683 54.000 0.000 0.000 0.889 198 D CB -0.038 40.761 40.800 -0.001 0.000 0.912 198 D HN 0.336 nan 8.370 nan 0.000 0.524 199 N N 0.328 119.005 118.700 -0.038 0.000 2.370 199 N HA 0.094 4.835 4.740 0.000 0.000 0.198 199 N C 0.016 175.463 175.510 -0.104 0.000 1.156 199 N CA 0.143 53.157 53.050 -0.060 0.000 0.839 199 N CB 0.830 39.293 38.487 -0.041 0.000 0.989 199 N HN 0.272 nan 8.380 nan 0.000 0.468 200 I N 0.887 121.371 120.570 -0.143 0.000 2.537 200 I HA 0.128 4.298 4.170 0.000 0.000 0.276 200 I C 0.114 175.979 176.117 -0.420 0.000 1.063 200 I CA -0.619 60.510 61.300 -0.285 0.000 1.144 200 I CB 1.282 39.094 38.000 -0.314 0.000 1.252 200 I HN -0.208 nan 8.210 nan 0.000 0.480 201 K N 5.326 125.529 120.400 -0.329 0.000 2.237 201 K HA 0.448 4.768 4.320 0.000 0.000 0.270 201 K C -1.343 175.006 176.600 -0.419 0.000 1.015 201 K CA 0.010 56.145 56.287 -0.254 0.000 0.949 201 K CB 0.837 33.244 32.500 -0.155 0.000 0.976 201 K HN 0.233 nan 8.250 nan 0.000 0.472 202 F N 1.879 121.803 119.950 -0.044 0.000 2.482 202 F HA 0.236 4.763 4.527 0.000 0.000 0.331 202 F C -0.234 175.537 175.800 -0.048 0.000 1.115 202 F CA -0.770 57.206 58.000 -0.039 0.000 0.955 202 F CB 1.974 40.956 39.000 -0.029 0.000 1.136 202 F HN 0.517 nan 8.300 nan 0.000 0.452 203 E N 3.478 123.745 120.200 0.111 0.000 2.145 203 E HA 0.327 4.677 4.350 0.000 0.000 0.262 203 E C -1.389 175.245 176.600 0.057 0.000 0.883 203 E CA -0.679 55.743 56.400 0.038 0.000 0.748 203 E CB 0.847 30.521 29.700 -0.044 0.000 1.140 203 E HN 0.394 nan 8.360 nan 0.000 0.417 204 K N 4.064 124.490 120.400 0.044 0.000 2.281 204 K HA 0.423 4.743 4.320 0.000 0.000 0.272 204 K C -0.532 176.082 176.600 0.024 0.000 1.048 204 K CA -0.888 55.419 56.287 0.033 0.000 0.898 204 K CB 1.129 33.638 32.500 0.016 0.000 1.128 204 K HN 0.087 nan 8.250 nan 0.000 0.460 205 K N 2.085 122.504 120.400 0.032 0.000 2.507 205 K HA 0.368 4.689 4.320 0.000 0.000 0.252 205 K C -0.684 175.935 176.600 0.033 0.000 0.943 205 K CA -0.563 55.745 56.287 0.035 0.000 0.808 205 K CB 2.064 34.595 32.500 0.052 0.000 1.142 205 K HN 0.763 nan 8.250 nan 0.000 0.426 206 A N 1.504 124.341 122.820 0.029 0.000 2.425 206 A HA 0.644 4.964 4.320 0.000 0.000 0.242 206 A C 0.573 178.175 177.584 0.029 0.000 1.077 206 A CA 1.020 53.075 52.037 0.029 0.000 0.781 206 A CB -0.053 18.965 19.000 0.030 0.000 1.020 206 A HN 0.868 nan 8.150 nan 0.000 0.494 207 G N 0.084 108.900 108.800 0.026 0.000 2.570 207 G HA2 0.422 4.382 3.960 0.000 0.000 0.686 207 G HA3 0.422 4.382 3.960 0.000 0.000 0.686 207 G C -0.468 174.443 174.900 0.018 0.000 1.257 207 G CA -0.095 45.019 45.100 0.023 0.000 0.846 207 G HN 1.691 nan 8.290 nan 0.000 0.627 208 E N -2.278 117.930 120.200 0.014 0.000 6.884 208 E HA -0.009 4.341 4.350 0.000 0.000 0.172 208 E C 0.696 177.297 176.600 0.003 0.000 1.455 208 E CA 1.563 57.967 56.400 0.007 0.000 2.484 208 E CB -1.304 28.399 29.700 0.005 0.000 1.770 208 E HN 2.117 nan 8.360 nan 0.000 0.475 209 G N -1.120 107.673 108.800 -0.013 0.000 2.568 209 G HA2 0.491 4.451 3.960 0.000 0.000 0.313 209 G HA3 0.491 4.451 3.960 0.000 0.000 0.313 209 G C 0.761 175.606 174.900 -0.092 0.000 1.227 209 G CA -0.111 44.972 45.100 -0.028 0.000 0.979 209 G HN 0.256 nan 8.290 nan 0.000 0.486 210 V N 0.663 120.468 119.914 -0.181 0.000 3.186 210 V HA -0.087 4.033 4.120 0.000 0.000 0.270 210 V C 2.388 178.240 176.094 -0.403 0.000 1.149 210 V CA 1.438 63.548 62.300 -0.316 0.000 1.160 210 V CB -0.387 31.149 31.823 -0.478 0.000 0.758 210 V HN 0.637 nan 8.190 nan 0.000 0.516 211 E N 0.459 120.467 120.200 -0.319 0.000 2.150 211 E HA -0.135 4.215 4.350 0.000 0.000 0.193 211 E C 1.878 178.424 176.600 -0.091 0.000 0.985 211 E CA 0.766 57.056 56.400 -0.184 0.000 0.814 211 E CB -0.103 29.555 29.700 -0.071 0.000 0.752 211 E HN 0.665 nan 8.360 nan 0.000 0.466 212 E N 0.797 120.956 120.200 -0.069 0.000 2.463 212 E HA 0.079 4.429 4.350 0.000 0.000 0.191 212 E C 0.209 176.799 176.600 -0.016 0.000 1.083 212 E CA -0.019 56.363 56.400 -0.030 0.000 0.872 212 E CB -0.063 29.627 29.700 -0.016 0.000 0.966 212 E HN -0.099 nan 8.360 nan 0.000 0.491 213 S N 1.830 117.510 115.700 -0.033 0.000 2.564 213 S HA 0.224 4.695 4.470 0.000 0.000 0.278 213 S C 0.355 174.960 174.600 0.009 0.000 1.333 213 S CA -0.289 57.908 58.200 -0.004 0.000 1.048 213 S CB 0.629 63.820 63.200 -0.014 0.000 0.900 213 S HN 0.281 nan 8.310 nan 0.000 0.505 214 E N 0.797 121.014 120.200 0.028 0.000 2.433 214 E HA 0.581 4.931 4.350 0.000 0.000 0.278 214 E C -1.588 175.027 176.600 0.025 0.000 0.976 214 E CA -1.087 55.329 56.400 0.027 0.000 0.793 214 E CB 0.765 30.485 29.700 0.033 0.000 1.311 214 E HN 0.300 nan 8.360 nan 0.000 0.460 215 L N 1.475 122.706 121.223 0.014 0.000 2.265 215 L HA 0.385 4.725 4.340 0.000 0.000 0.288 215 L C -1.232 175.640 176.870 0.004 0.000 1.058 215 L CA -0.555 54.282 54.840 -0.004 0.000 0.809 215 L CB 1.499 43.551 42.059 -0.010 0.000 1.179 215 L HN 0.535 nan 8.230 nan 0.000 0.429 216 V N 6.667 126.577 119.914 -0.006 0.000 2.270 216 V HA 0.339 4.459 4.120 0.000 0.000 0.263 216 V C 0.729 176.812 176.094 -0.019 0.000 1.066 216 V CA -0.522 61.785 62.300 0.011 0.000 0.857 216 V CB 0.319 32.158 31.823 0.026 0.000 1.099 216 V HN 0.648 nan 8.190 nan 0.000 0.476 217 R N 3.849 124.342 120.500 -0.011 0.000 4.045 217 R HA 0.374 4.714 4.340 0.000 0.000 0.174 217 R C 0.949 177.233 176.300 -0.027 0.000 1.805 217 R CA 0.443 56.530 56.100 -0.021 0.000 1.368 217 R CB -0.120 30.176 30.300 -0.007 0.000 1.362 217 R HN 0.880 nan 8.270 nan 0.000 0.777 218 G N -0.945 107.828 108.800 -0.044 0.000 2.637 218 G HA2 0.325 4.285 3.960 0.000 0.000 0.112 218 G HA3 0.325 4.285 3.960 0.000 0.000 0.112 218 G C -1.378 173.467 174.900 -0.091 0.000 1.181 218 G CA -0.370 44.696 45.100 -0.058 0.000 1.150 218 G HN 0.104 nan 8.290 nan 0.000 0.561 219 V N -0.523 119.324 119.914 -0.112 0.000 3.120 219 V HA 0.658 4.778 4.120 0.000 0.000 0.303 219 V C -0.937 175.023 176.094 -0.223 0.000 1.238 219 V CA -0.620 61.580 62.300 -0.167 0.000 1.008 219 V CB 2.048 33.755 31.823 -0.194 0.000 1.064 219 V HN 0.734 nan 8.190 nan 0.000 0.434 220 V N 4.270 124.014 119.914 -0.284 0.000 2.487 220 V HA 0.598 4.718 4.120 0.000 0.000 0.298 220 V C -0.552 175.363 176.094 -0.298 0.000 1.028 220 V CA -0.380 61.659 62.300 -0.436 0.000 0.860 220 V CB 1.772 33.233 31.823 -0.604 0.000 0.991 220 V HN 0.652 nan 8.190 nan 0.000 0.427 221 I N 2.863 123.284 120.570 -0.249 0.000 2.509 221 I HA 0.390 4.560 4.170 0.000 0.000 0.293 221 I C -0.573 175.493 176.117 -0.084 0.000 1.020 221 I CA -0.479 60.735 61.300 -0.143 0.000 1.088 221 I CB 2.252 40.185 38.000 -0.112 0.000 1.267 221 I HN 0.557 nan 8.210 nan 0.000 0.430 222 D N 6.696 127.062 120.400 -0.057 0.000 2.619 222 D HA 0.231 4.871 4.640 0.000 0.000 0.224 222 D C -0.476 175.832 176.300 0.012 0.000 1.133 222 D CA 0.266 54.254 54.000 -0.020 0.000 1.017 222 D CB 0.284 41.071 40.800 -0.021 0.000 1.077 222 D HN 0.234 nan 8.370 nan 0.000 0.503 223 K N 0.841 121.264 120.400 0.038 0.000 2.469 223 K HA 0.455 4.775 4.320 0.000 0.000 0.268 223 K C -0.307 176.335 176.600 0.070 0.000 1.027 223 K CA -0.798 55.524 56.287 0.059 0.000 0.893 223 K CB 2.330 34.882 32.500 0.087 0.000 1.460 223 K HN 0.116 nan 8.250 nan 0.000 0.449 224 E N 0.355 120.593 120.200 0.062 0.000 2.316 224 E HA 0.360 4.710 4.350 0.000 0.000 0.258 224 E C -0.687 175.943 176.600 0.050 0.000 0.952 224 E CA -1.130 55.304 56.400 0.056 0.000 0.818 224 E CB 1.781 31.506 29.700 0.040 0.000 1.260 224 E HN 0.074 nan 8.360 nan 0.000 0.416 225 V N 1.995 121.932 119.914 0.039 0.000 2.470 225 V HA -0.069 4.051 4.120 0.000 0.000 0.276 225 V C 1.250 177.364 176.094 0.032 0.000 1.040 225 V CA 0.324 62.638 62.300 0.023 0.000 1.008 225 V CB 1.157 32.993 31.823 0.022 0.000 0.990 225 V HN 0.603 nan 8.190 nan 0.000 0.477 226 V N 4.935 124.871 119.914 0.036 0.000 2.688 226 V HA -0.120 4.000 4.120 0.000 0.000 0.256 226 V C 0.920 177.064 176.094 0.083 0.000 1.084 226 V CA 1.709 64.041 62.300 0.053 0.000 1.103 226 V CB -0.463 31.392 31.823 0.055 0.000 0.688 226 V HN 0.927 nan 8.190 nan 0.000 0.480 227 H N -1.193 117.877 119.070 -0.001 0.000 2.572 227 H HA 0.361 4.917 4.556 0.000 0.000 0.359 227 H C -2.004 173.325 175.328 0.001 0.000 1.134 227 H CA -1.644 54.407 56.048 0.004 0.000 1.187 227 H CB 2.411 32.175 29.762 0.003 0.000 1.597 227 H HN -0.010 nan 8.280 nan 0.000 0.524 228 P HA -0.083 nan 4.420 nan 0.000 0.215 228 P C 0.979 178.338 177.300 0.100 0.000 1.153 228 P CA 1.132 64.199 63.100 -0.055 0.000 0.853 228 P CB 0.371 31.979 31.700 -0.153 0.000 0.788 229 R N -1.256 119.433 120.500 0.315 0.000 2.319 229 R HA 0.214 4.554 4.340 0.000 0.000 0.204 229 R C 0.755 177.118 176.300 0.105 0.000 0.954 229 R CA 0.269 56.487 56.100 0.197 0.000 1.066 229 R CB -0.594 29.816 30.300 0.183 0.000 0.991 229 R HN 0.377 nan 8.270 nan 0.000 0.486 230 M N 1.084 120.754 119.600 0.115 0.000 2.342 230 M HA 0.295 4.775 4.480 0.000 0.000 0.332 230 M C -2.145 174.171 176.300 0.027 0.000 1.166 230 M CA -1.975 53.351 55.300 0.043 0.000 1.086 230 M CB 0.660 33.284 32.600 0.041 0.000 1.541 230 M HN -0.348 nan 8.290 nan 0.000 0.462 231 P HA -0.002 nan 4.420 nan 0.000 0.264 231 P C -0.282 177.024 177.300 0.009 0.000 1.193 231 P CA 0.115 63.220 63.100 0.008 0.000 0.763 231 P CB 0.399 32.100 31.700 0.002 0.000 0.810 232 K N 2.539 122.947 120.400 0.014 0.000 2.417 232 K HA 0.120 4.440 4.320 0.000 0.000 0.196 232 K C 0.545 177.157 176.600 0.019 0.000 1.023 232 K CA 0.309 56.608 56.287 0.019 0.000 1.122 232 K CB 0.213 32.724 32.500 0.019 0.000 0.850 232 K HN 0.452 nan 8.250 nan 0.000 0.521 233 R N -0.370 120.138 120.500 0.014 0.000 2.633 233 R HA 0.233 4.573 4.340 0.000 0.000 0.255 233 R C -1.965 174.343 176.300 0.013 0.000 1.106 233 R CA -0.304 55.806 56.100 0.016 0.000 0.959 233 R CB 1.270 31.576 30.300 0.010 0.000 1.259 233 R HN -0.183 nan 8.270 nan 0.000 0.453 234 V N 4.149 124.073 119.914 0.016 0.000 2.588 234 V HA 0.293 4.413 4.120 0.000 0.000 0.304 234 V C 0.500 176.609 176.094 0.026 0.000 1.042 234 V CA -0.721 61.591 62.300 0.019 0.000 0.877 234 V CB 1.860 33.691 31.823 0.014 0.000 0.996 234 V HN 0.822 nan 8.190 nan 0.000 0.425 235 E N 2.285 122.507 120.200 0.036 0.000 1.999 235 E HA 0.039 4.389 4.350 0.000 0.000 0.198 235 E C 0.272 176.919 176.600 0.079 0.000 0.960 235 E CA 0.704 57.133 56.400 0.048 0.000 0.870 235 E CB -0.018 29.713 29.700 0.051 0.000 0.827 235 E HN 0.576 nan 8.360 nan 0.000 0.511 236 N N 1.545 120.324 118.700 0.131 0.000 2.719 236 N HA 0.261 5.001 4.740 0.000 0.000 0.243 236 N C -0.769 174.883 175.510 0.236 0.000 1.104 236 N CA 0.004 53.221 53.050 0.278 0.000 0.981 236 N CB 0.949 39.616 38.487 0.300 0.000 1.290 236 N HN 0.119 nan 8.380 nan 0.000 0.513 237 A N 2.458 125.355 122.820 0.130 0.000 2.440 237 A HA 0.166 4.486 4.320 0.000 0.000 0.251 237 A C 0.354 178.036 177.584 0.165 0.000 1.089 237 A CA -0.034 52.058 52.037 0.092 0.000 0.779 237 A CB 0.476 19.487 19.000 0.018 0.000 1.022 237 A HN 0.429 nan 8.150 nan 0.000 0.492 238 K N 2.921 123.398 120.400 0.128 0.000 2.414 238 K HA 0.402 4.722 4.320 0.000 0.000 0.251 238 K C -1.256 175.396 176.600 0.087 0.000 1.037 238 K CA 0.006 56.371 56.287 0.131 0.000 0.980 238 K CB 1.022 33.581 32.500 0.098 0.000 1.280 238 K HN 0.635 nan 8.250 nan 0.000 0.451 239 I N 2.169 122.800 120.570 0.102 0.000 2.428 239 I HA 0.209 4.379 4.170 0.000 0.000 0.289 239 I C 0.171 176.349 176.117 0.103 0.000 1.019 239 I CA -0.190 61.176 61.300 0.109 0.000 1.351 239 I CB 1.468 39.571 38.000 0.171 0.000 1.412 239 I HN 0.506 nan 8.210 nan 0.000 0.513 240 A N 7.111 129.987 122.820 0.092 0.000 2.304 240 A HA 0.733 5.053 4.320 0.000 0.000 0.314 240 A C -1.015 176.641 177.584 0.120 0.000 1.187 240 A CA -0.496 51.587 52.037 0.077 0.000 0.810 240 A CB 0.657 19.676 19.000 0.032 0.000 1.183 240 A HN 0.478 nan 8.150 nan 0.000 0.487 241 L N 4.501 125.790 121.223 0.110 0.000 2.287 241 L HA 0.356 4.696 4.340 0.000 0.000 0.280 241 L C -0.391 176.520 176.870 0.069 0.000 1.055 241 L CA -0.240 54.671 54.840 0.117 0.000 0.863 241 L CB 0.352 42.457 42.059 0.077 0.000 1.245 241 L HN 0.496 nan 8.230 nan 0.000 0.432 242 I N 2.942 123.552 120.570 0.067 0.000 2.315 242 I HA 0.214 4.385 4.170 0.000 0.000 0.291 242 I C 0.616 176.754 176.117 0.035 0.000 1.006 242 I CA -0.222 61.100 61.300 0.036 0.000 1.265 242 I CB 1.361 39.374 38.000 0.022 0.000 1.387 242 I HN 0.449 nan 8.210 nan 0.000 0.475 243 N N 6.313 125.026 118.700 0.021 0.000 3.040 243 N HA 0.175 4.915 4.740 0.000 0.000 0.305 243 N C -0.539 174.977 175.510 0.009 0.000 1.611 243 N CA -0.085 52.976 53.050 0.017 0.000 1.049 243 N CB 0.397 38.891 38.487 0.012 0.000 1.342 243 N HN 0.720 nan 8.380 nan 0.000 0.497 244 E N -0.147 120.059 120.200 0.010 0.000 2.372 244 E HA 0.605 4.955 4.350 0.000 0.000 0.279 244 E C -1.508 175.098 176.600 0.010 0.000 0.946 244 E CA -1.008 55.395 56.400 0.004 0.000 0.769 244 E CB 1.457 31.154 29.700 -0.006 0.000 1.230 244 E HN 0.231 nan 8.360 nan 0.000 0.442 245 A N 3.581 126.408 122.820 0.011 0.000 2.347 245 A HA 0.332 4.652 4.320 0.000 0.000 0.287 245 A C -0.394 177.202 177.584 0.019 0.000 1.199 245 A CA -0.435 51.612 52.037 0.017 0.000 0.851 245 A CB 0.045 19.055 19.000 0.017 0.000 1.118 245 A HN 0.459 nan 8.150 nan 0.000 0.525 246 L N 4.029 125.266 121.223 0.024 0.000 2.416 246 L HA 0.179 4.519 4.340 0.000 0.000 0.243 246 L C 0.683 177.576 176.870 0.040 0.000 1.373 246 L CA 0.832 55.690 54.840 0.030 0.000 1.227 246 L CB -1.587 40.490 42.059 0.031 0.000 1.428 246 L HN 0.841 nan 8.230 nan 0.000 0.425 247 E N -1.186 119.035 120.200 0.035 0.000 2.430 247 E HA 0.356 4.706 4.350 0.000 0.000 0.279 247 E C -0.832 175.789 176.600 0.036 0.000 1.003 247 E CA -1.140 55.284 56.400 0.040 0.000 0.801 247 E CB 1.403 31.123 29.700 0.033 0.000 1.313 247 E HN -0.205 nan 8.360 nan 0.000 0.459 248 V N 2.461 122.398 119.914 0.039 0.000 2.519 248 V HA -0.067 4.053 4.120 0.000 0.000 0.258 248 V C 0.516 176.626 176.094 0.026 0.000 0.989 248 V CA 0.550 62.872 62.300 0.036 0.000 1.170 248 V CB -1.610 30.235 31.823 0.038 0.000 1.066 248 V HN 0.480 nan 8.190 nan 0.000 0.469 249 K N 4.569 124.983 120.400 0.024 0.000 2.518 249 K HA 0.183 4.503 4.320 0.000 0.000 0.276 249 K C -0.017 176.593 176.600 0.015 0.000 0.974 249 K CA 0.285 56.583 56.287 0.017 0.000 0.986 249 K CB 0.565 33.074 32.500 0.015 0.000 0.901 249 K HN 0.586 nan 8.250 nan 0.000 0.497 250 K N 0.689 121.095 120.400 0.010 0.000 2.395 250 K HA 0.217 4.537 4.320 0.000 0.000 0.247 250 K C -0.527 176.077 176.600 0.006 0.000 0.973 250 K CA -0.825 55.466 56.287 0.006 0.000 0.828 250 K CB 1.855 34.356 32.500 0.001 0.000 1.272 250 K HN 0.639 nan 8.250 nan 0.000 0.439 251 T N -1.215 113.342 114.554 0.005 0.000 2.907 251 T HA 0.086 4.436 4.350 0.000 0.000 0.298 251 T C 0.984 175.685 174.700 0.002 0.000 1.017 251 T CA -0.487 61.616 62.100 0.005 0.000 1.118 251 T CB 1.181 70.053 68.868 0.006 0.000 0.948 251 T HN 0.557 nan 8.240 nan 0.000 0.531 252 E N 1.339 121.540 120.200 0.002 0.000 2.204 252 E HA -0.012 4.338 4.350 0.000 0.000 0.195 252 E C 0.573 177.174 176.600 0.000 0.000 0.990 252 E CA 0.837 57.238 56.400 0.001 0.000 0.821 252 E CB -0.306 29.395 29.700 0.001 0.000 0.750 252 E HN 0.789 nan 8.360 nan 0.000 0.477 253 T N 1.650 116.205 114.554 0.001 0.000 2.794 253 T HA 0.032 4.382 4.350 0.000 0.000 0.296 253 T C -0.325 174.374 174.700 -0.001 0.000 0.949 253 T CA -0.577 61.523 62.100 0.001 0.000 1.101 253 T CB 0.756 69.626 68.868 0.002 0.000 0.905 253 T HN 0.024 nan 8.240 nan 0.000 0.516 254 D N 2.270 122.669 120.400 -0.003 0.000 2.648 254 D HA 0.223 4.863 4.640 0.000 0.000 0.229 254 D C -0.325 175.971 176.300 -0.007 0.000 1.119 254 D CA 0.611 54.608 54.000 -0.005 0.000 0.850 254 D CB 0.247 41.043 40.800 -0.006 0.000 1.169 254 D HN 0.745 nan 8.370 nan 0.000 0.489 255 A N 3.440 126.253 122.820 -0.011 0.000 2.549 255 A HA 0.658 4.978 4.320 0.000 0.000 0.297 255 A C -0.891 176.675 177.584 -0.029 0.000 1.061 255 A CA -0.820 51.208 52.037 -0.015 0.000 0.690 255 A CB 1.688 20.682 19.000 -0.010 0.000 1.287 255 A HN 0.510 nan 8.150 nan 0.000 0.402 256 K N 1.860 122.238 120.400 -0.038 0.000 2.527 256 K HA 0.641 4.961 4.320 0.000 0.000 0.260 256 K C -1.651 174.898 176.600 -0.087 0.000 0.937 256 K CA -0.648 55.602 56.287 -0.061 0.000 0.826 256 K CB 1.583 34.055 32.500 -0.048 0.000 1.359 256 K HN 0.683 nan 8.250 nan 0.000 0.434 257 I N 3.258 123.736 120.570 -0.154 0.000 2.395 257 I HA 0.176 4.346 4.170 0.000 0.000 0.289 257 I C -0.407 175.616 176.117 -0.157 0.000 1.023 257 I CA -0.812 60.344 61.300 -0.241 0.000 1.350 257 I CB 1.039 38.716 38.000 -0.538 0.000 1.409 257 I HN 0.420 nan 8.210 nan 0.000 0.507 258 N N 7.444 126.098 118.700 -0.078 0.000 2.707 258 N HA 0.315 5.055 4.740 0.000 0.000 0.235 258 N C -0.625 174.907 175.510 0.038 0.000 1.028 258 N CA -0.570 52.470 53.050 -0.016 0.000 0.906 258 N CB 1.159 39.653 38.487 0.011 0.000 1.131 258 N HN 0.371 nan 8.380 nan 0.000 0.509 259 I N 1.568 122.154 120.570 0.026 0.000 2.598 259 I HA -0.043 4.127 4.170 0.000 0.000 0.284 259 I C 1.867 178.029 176.117 0.075 0.000 1.140 259 I CA 0.567 61.926 61.300 0.099 0.000 1.420 259 I CB 0.608 38.652 38.000 0.074 0.000 1.387 259 I HN 0.513 nan 8.210 nan 0.000 0.553 260 T N 0.293 114.900 114.554 0.089 0.000 2.969 260 T HA 0.262 4.612 4.350 0.000 0.000 0.250 260 T C 0.418 175.145 174.700 0.046 0.000 1.021 260 T CA 0.395 62.529 62.100 0.056 0.000 1.003 260 T CB 0.065 68.965 68.868 0.053 0.000 1.040 260 T HN 0.561 nan 8.240 nan 0.000 0.492 261 S N 0.336 116.068 115.700 0.054 0.000 2.536 261 S HA 0.594 5.065 4.470 0.000 0.000 0.271 261 S C -2.694 171.932 174.600 0.043 0.000 1.134 261 S CA -1.209 57.013 58.200 0.038 0.000 0.897 261 S CB 1.989 65.204 63.200 0.025 0.000 1.094 261 S HN -0.170 nan 8.310 nan 0.000 0.473 262 P HA -0.284 nan 4.420 nan 0.000 0.218 262 P C 1.252 178.572 177.300 0.034 0.000 1.165 262 P CA 2.214 65.333 63.100 0.033 0.000 0.922 262 P CB -0.211 31.502 31.700 0.022 0.000 0.794 263 D N -0.550 119.861 120.400 0.019 0.000 2.280 263 D HA -0.254 4.387 4.640 0.000 0.000 0.206 263 D C 1.463 177.766 176.300 0.004 0.000 0.988 263 D CA 1.205 55.208 54.000 0.006 0.000 0.886 263 D CB -0.700 40.094 40.800 -0.011 0.000 0.914 263 D HN 0.406 nan 8.370 nan 0.000 0.473 264 Q N 0.241 120.061 119.800 0.033 0.000 2.123 264 Q HA 0.008 4.348 4.340 0.000 0.000 0.199 264 Q C 2.784 178.899 176.000 0.192 0.000 0.966 264 Q CA 0.445 56.289 55.803 0.069 0.000 0.845 264 Q CB -0.068 28.779 28.738 0.181 0.000 0.907 264 Q HN 0.378 nan 8.270 nan 0.000 0.439 265 L N 0.033 121.348 121.223 0.153 0.000 2.021 265 L HA -0.257 4.084 4.340 0.000 0.000 0.215 265 L C 2.519 179.468 176.870 0.132 0.000 1.074 265 L CA 1.015 55.942 54.840 0.145 0.000 0.760 265 L CB -0.492 41.616 42.059 0.080 0.000 0.889 265 L HN 0.347 nan 8.230 nan 0.000 0.433 266 M N -0.250 119.397 119.600 0.078 0.000 2.081 266 M HA -0.126 4.354 4.480 0.000 0.000 0.261 266 M C 2.785 179.110 176.300 0.043 0.000 1.075 266 M CA 2.130 57.462 55.300 0.053 0.000 1.133 266 M CB -1.271 31.344 32.600 0.025 0.000 1.330 266 M HN 0.394 nan 8.290 nan 0.000 0.414 267 S N 0.180 115.870 115.700 -0.017 0.000 2.392 267 S HA -0.201 4.269 4.470 0.000 0.000 0.232 267 S C 2.007 176.549 174.600 -0.096 0.000 1.041 267 S CA 1.494 59.632 58.200 -0.103 0.000 1.026 267 S CB -1.308 61.754 63.200 -0.229 0.000 0.845 267 S HN 0.381 nan 8.310 nan 0.000 0.465 268 F N 1.133 121.090 119.950 0.012 0.000 2.084 268 F HA 0.069 4.596 4.527 0.000 0.000 0.296 268 F C 2.290 178.100 175.800 0.018 0.000 1.111 268 F CA 0.644 58.652 58.000 0.014 0.000 1.224 268 F CB -0.454 38.553 39.000 0.011 0.000 0.991 268 F HN 0.140 nan 8.300 nan 0.000 0.471 269 L N 0.449 121.806 121.223 0.223 0.000 2.043 269 L HA -0.264 4.076 4.340 0.000 0.000 0.212 269 L C 2.199 179.132 176.870 0.105 0.000 1.075 269 L CA 1.824 56.743 54.840 0.131 0.000 0.752 269 L CB -0.940 41.174 42.059 0.092 0.000 0.891 269 L HN 0.188 nan 8.230 nan 0.000 0.432 270 E N -1.313 118.937 120.200 0.083 0.000 2.153 270 E HA -0.283 4.068 4.350 0.000 0.000 0.194 270 E C 2.105 178.743 176.600 0.063 0.000 0.988 270 E CA 0.915 57.353 56.400 0.063 0.000 0.811 270 E CB -0.175 29.545 29.700 0.034 0.000 0.746 270 E HN 0.399 nan 8.360 nan 0.000 0.466 271 Q N 1.606 121.447 119.800 0.068 0.000 2.124 271 Q HA -0.184 4.157 4.340 0.000 0.000 0.202 271 Q C 1.594 177.644 176.000 0.083 0.000 0.977 271 Q CA 1.652 57.495 55.803 0.067 0.000 0.850 271 Q CB 0.021 28.812 28.738 0.089 0.000 0.901 271 Q HN 0.352 nan 8.270 nan 0.000 0.429 272 E N -0.105 120.158 120.200 0.105 0.000 2.072 272 E HA -0.140 4.210 4.350 0.000 0.000 0.190 272 E C 1.954 178.610 176.600 0.093 0.000 0.982 272 E CA 0.914 57.370 56.400 0.093 0.000 0.803 272 E CB -0.064 29.691 29.700 0.091 0.000 0.755 272 E HN 0.523 nan 8.360 nan 0.000 0.453 273 E N 1.355 121.620 120.200 0.110 0.000 2.085 273 E HA -0.228 4.122 4.350 0.000 0.000 0.194 273 E C 2.098 178.761 176.600 0.104 0.000 0.994 273 E CA 0.939 57.436 56.400 0.162 0.000 0.801 273 E CB -0.106 29.706 29.700 0.188 0.000 0.743 273 E HN 0.113 nan 8.360 nan 0.000 0.453 274 K N 0.788 121.220 120.400 0.053 0.000 2.009 274 K HA -0.175 4.145 4.320 0.000 0.000 0.210 274 K C 2.250 178.842 176.600 -0.013 0.000 1.049 274 K CA 1.507 57.791 56.287 -0.004 0.000 0.929 274 K CB -0.073 32.431 32.500 0.006 0.000 0.714 274 K HN 0.077 nan 8.250 nan 0.000 0.440 275 M N 0.439 120.053 119.600 0.023 0.000 2.108 275 M HA -0.216 4.264 4.480 0.000 0.000 0.261 275 M C 2.211 178.526 176.300 0.025 0.000 1.066 275 M CA 1.171 56.488 55.300 0.028 0.000 1.107 275 M CB -0.346 32.280 32.600 0.044 0.000 1.356 275 M HN 0.136 nan 8.290 nan 0.000 0.406 276 L N 0.660 121.910 121.223 0.045 0.000 1.994 276 L HA -0.194 4.146 4.340 0.000 0.000 0.208 276 L C 2.444 179.320 176.870 0.009 0.000 1.071 276 L CA 1.932 56.814 54.840 0.070 0.000 0.745 276 L CB -0.947 41.202 42.059 0.150 0.000 0.892 276 L HN 0.261 nan 8.230 nan 0.000 0.431 277 K N -0.820 119.504 120.400 -0.126 0.000 2.152 277 K HA -0.195 4.125 4.320 0.000 0.000 0.206 277 K C 1.620 178.075 176.600 -0.242 0.000 1.048 277 K CA 1.558 57.572 56.287 -0.454 0.000 0.933 277 K CB -0.041 31.910 32.500 -0.914 0.000 0.721 277 K HN 0.333 nan 8.250 nan 0.000 0.447 278 D N 0.516 120.841 120.400 -0.125 0.000 2.144 278 D HA -0.151 4.489 4.640 0.000 0.000 0.200 278 D C 1.906 178.218 176.300 0.020 0.000 0.978 278 D CA 1.177 55.137 54.000 -0.066 0.000 0.833 278 D CB -0.025 40.767 40.800 -0.013 0.000 0.961 278 D HN 0.346 nan 8.370 nan 0.000 0.470 279 M N 0.125 119.748 119.600 0.039 0.000 2.099 279 M HA -0.128 4.352 4.480 0.000 0.000 0.262 279 M C 2.368 178.683 176.300 0.025 0.000 1.067 279 M CA 0.907 56.250 55.300 0.072 0.000 1.124 279 M CB -0.165 32.455 32.600 0.034 0.000 1.353 279 M HN -0.113 nan 8.290 nan 0.000 0.410 280 V N 0.573 120.456 119.914 -0.051 0.000 2.295 280 V HA -0.287 3.833 4.120 0.000 0.000 0.246 280 V C 1.783 177.722 176.094 -0.258 0.000 1.049 280 V CA 1.973 64.187 62.300 -0.144 0.000 1.024 280 V CB -0.874 30.870 31.823 -0.133 0.000 0.648 280 V HN 0.395 nan 8.190 nan 0.000 0.447 281 D N -0.985 119.270 120.400 -0.242 0.000 2.133 281 D HA -0.198 4.442 4.640 0.000 0.000 0.195 281 D C 2.137 178.338 176.300 -0.165 0.000 0.997 281 D CA 1.408 55.269 54.000 -0.231 0.000 0.840 281 D CB -0.419 40.285 40.800 -0.159 0.000 0.947 281 D HN 0.483 nan 8.370 nan 0.000 0.452 282 H N -0.020 118.982 119.070 -0.112 0.000 2.387 282 H HA -0.031 4.525 4.556 0.000 0.000 0.299 282 H C 2.349 177.629 175.328 -0.080 0.000 1.099 282 H CA 0.756 56.759 56.048 -0.074 0.000 1.315 282 H CB -0.041 29.687 29.762 -0.056 0.000 1.380 282 H HN 0.247 nan 8.280 nan 0.000 0.513 283 I N -0.100 120.478 120.570 0.014 0.000 2.333 283 I HA -0.155 4.015 4.170 0.000 0.000 0.246 283 I C 2.782 178.857 176.117 -0.070 0.000 1.106 283 I CA 0.740 62.020 61.300 -0.033 0.000 1.411 283 I CB -0.242 37.718 38.000 -0.067 0.000 1.082 283 I HN 0.118 nan 8.210 nan 0.000 0.420 284 A N 0.536 123.261 122.820 -0.158 0.000 1.877 284 A HA -0.254 4.066 4.320 0.000 0.000 0.216 284 A C 2.189 179.759 177.584 -0.024 0.000 1.186 284 A CA 1.435 53.396 52.037 -0.128 0.000 0.620 284 A CB -0.756 18.080 19.000 -0.275 0.000 0.822 284 A HN 0.452 nan 8.150 nan 0.000 0.443 285 Q N -0.366 119.421 119.800 -0.022 0.000 2.389 285 Q HA -0.171 4.169 4.340 0.000 0.000 0.213 285 Q C 1.873 177.883 176.000 0.016 0.000 0.989 285 Q CA 1.726 57.532 55.803 0.004 0.000 0.891 285 Q CB -0.544 28.185 28.738 -0.015 0.000 0.923 285 Q HN 0.919 nan 8.270 nan 0.000 0.455 286 T N -4.772 109.792 114.554 0.017 0.000 3.065 286 T HA 0.264 4.614 4.350 0.000 0.000 0.252 286 T C 1.369 176.084 174.700 0.024 0.000 1.099 286 T CA 0.459 62.573 62.100 0.023 0.000 1.063 286 T CB 0.609 69.492 68.868 0.025 0.000 0.948 286 T HN 0.400 nan 8.240 nan 0.000 0.506 287 G N 1.221 110.035 108.800 0.023 0.000 2.141 287 G HA2 0.006 3.966 3.960 0.000 0.000 0.231 287 G HA3 0.006 3.966 3.960 0.000 0.000 0.231 287 G C 0.206 175.124 174.900 0.031 0.000 0.984 287 G CA -0.209 44.909 45.100 0.030 0.000 0.660 287 G HN 1.145 nan 8.290 nan 0.000 0.525 288 A N 0.294 123.126 122.820 0.020 0.000 2.409 288 A HA 0.605 4.925 4.320 0.000 0.000 0.267 288 A C 1.077 178.665 177.584 0.006 0.000 1.127 288 A CA 0.662 52.709 52.037 0.018 0.000 0.795 288 A CB 0.178 19.183 19.000 0.008 0.000 1.061 288 A HN 0.899 nan 8.150 nan 0.000 0.502 289 N N 1.199 119.906 118.700 0.012 0.000 2.220 289 N HA 0.156 4.896 4.740 0.000 0.000 0.195 289 N C -0.525 174.965 175.510 -0.033 0.000 1.123 289 N CA 0.155 53.206 53.050 0.002 0.000 0.874 289 N CB 0.457 38.956 38.487 0.021 0.000 0.995 289 N HN 0.236 nan 8.380 nan 0.000 0.498 290 V N 0.906 120.791 119.914 -0.049 0.000 2.577 290 V HA 0.526 4.646 4.120 0.000 0.000 0.303 290 V C -0.940 175.056 176.094 -0.163 0.000 1.042 290 V CA -0.913 61.307 62.300 -0.134 0.000 0.872 290 V CB 2.201 33.962 31.823 -0.104 0.000 0.998 290 V HN -0.101 nan 8.190 nan 0.000 0.423 291 V N 4.956 124.702 119.914 -0.280 0.000 2.577 291 V HA 0.541 4.661 4.120 0.000 0.000 0.303 291 V C -1.020 174.867 176.094 -0.344 0.000 1.042 291 V CA -0.521 61.656 62.300 -0.204 0.000 0.872 291 V CB 1.859 33.618 31.823 -0.107 0.000 0.998 291 V HN 0.696 nan 8.190 nan 0.000 0.423 292 F N 3.528 123.479 119.950 0.001 0.000 2.361 292 F HA 0.595 5.122 4.527 0.000 0.000 0.364 292 F C 0.136 175.936 175.800 -0.001 0.000 1.117 292 F CA -0.738 57.262 58.000 -0.000 0.000 1.071 292 F CB 1.828 40.825 39.000 -0.006 0.000 1.188 292 F HN 0.214 nan 8.300 nan 0.000 0.464 293 V N 4.217 124.213 119.914 0.136 0.000 2.472 293 V HA 0.172 4.292 4.120 0.000 0.000 0.290 293 V C 0.716 176.862 176.094 0.087 0.000 1.037 293 V CA -0.410 61.941 62.300 0.085 0.000 0.908 293 V CB 1.636 33.487 31.823 0.046 0.000 0.985 293 V HN 0.849 nan 8.190 nan 0.000 0.454 294 Q N 2.836 122.673 119.800 0.062 0.000 2.096 294 Q HA -0.001 4.339 4.340 0.000 0.000 0.197 294 Q C 1.083 177.104 176.000 0.036 0.000 0.964 294 Q CA 0.907 56.737 55.803 0.046 0.000 0.838 294 Q CB 0.313 29.069 28.738 0.030 0.000 0.906 294 Q HN 0.621 nan 8.270 nan 0.000 0.444 295 K N -0.213 120.206 120.400 0.030 0.000 2.868 295 K HA 0.279 4.599 4.320 0.000 0.000 0.304 295 K C 0.520 177.138 176.600 0.029 0.000 1.007 295 K CA 0.172 56.474 56.287 0.025 0.000 1.123 295 K CB -0.661 31.851 32.500 0.019 0.000 1.408 295 K HN 0.164 nan 8.250 nan 0.000 0.522 296 G N -0.026 108.790 108.800 0.026 0.000 2.563 296 G HA2 0.545 4.505 3.960 0.000 0.000 0.283 296 G HA3 0.545 4.505 3.960 0.000 0.000 0.283 296 G C -0.528 174.392 174.900 0.033 0.000 1.309 296 G CA -0.596 44.521 45.100 0.030 0.000 1.022 296 G HN 0.343 nan 8.290 nan 0.000 0.501 297 I N 0.321 120.914 120.570 0.038 0.000 2.560 297 I HA 0.122 4.292 4.170 0.000 0.000 0.283 297 I C -0.936 175.213 176.117 0.054 0.000 1.115 297 I CA -0.622 60.705 61.300 0.046 0.000 1.066 297 I CB 1.977 40.006 38.000 0.047 0.000 1.221 297 I HN 0.390 nan 8.210 nan 0.000 0.450 298 D N 3.742 124.176 120.400 0.057 0.000 2.370 298 D HA -0.059 4.581 4.640 0.000 0.000 0.235 298 D C 0.964 177.310 176.300 0.076 0.000 1.228 298 D CA 0.627 54.663 54.000 0.061 0.000 0.884 298 D CB 0.931 41.770 40.800 0.066 0.000 1.201 298 D HN 0.439 nan 8.370 nan 0.000 0.456 299 D N 0.368 120.810 120.400 0.070 0.000 2.149 299 D HA -0.083 4.557 4.640 0.000 0.000 0.201 299 D C 2.144 178.496 176.300 0.086 0.000 0.972 299 D CA 0.680 54.731 54.000 0.086 0.000 0.835 299 D CB 0.000 40.836 40.800 0.059 0.000 0.966 299 D HN 0.316 nan 8.370 nan 0.000 0.476 300 L N 0.943 122.201 121.223 0.057 0.000 2.027 300 L HA -0.123 4.217 4.340 0.000 0.000 0.206 300 L C 2.566 179.503 176.870 0.113 0.000 1.074 300 L CA 1.066 55.915 54.840 0.016 0.000 0.745 300 L CB -0.384 41.718 42.059 0.070 0.000 0.898 300 L HN -0.035 nan 8.230 nan 0.000 0.433 301 A N -0.874 122.058 122.820 0.186 0.000 2.024 301 A HA -0.257 4.064 4.320 0.000 0.000 0.220 301 A C 2.200 179.865 177.584 0.134 0.000 1.164 301 A CA 1.528 53.694 52.037 0.215 0.000 0.643 301 A CB -0.404 18.679 19.000 0.137 0.000 0.806 301 A HN 0.485 nan 8.150 nan 0.000 0.451 302 Q N -1.696 118.163 119.800 0.099 0.000 2.083 302 Q HA -0.164 4.177 4.340 0.000 0.000 0.198 302 Q C 2.157 178.097 176.000 -0.100 0.000 0.969 302 Q CA 1.278 57.119 55.803 0.063 0.000 0.838 302 Q CB -0.245 28.605 28.738 0.188 0.000 0.900 302 Q HN 0.909 nan 8.270 nan 0.000 0.436 303 H N -0.587 118.363 119.070 -0.199 0.000 2.326 303 H HA -0.151 4.405 4.556 0.000 0.000 0.301 303 H C 1.505 176.686 175.328 -0.245 0.000 1.081 303 H CA 1.598 57.433 56.048 -0.355 0.000 1.334 303 H CB 0.061 29.632 29.762 -0.318 0.000 1.385 303 H HN 0.273 nan 8.280 nan 0.000 0.504 304 Y N 0.823 121.179 120.300 0.093 0.000 2.145 304 Y HA -0.161 4.389 4.550 0.000 0.000 0.286 304 Y C 3.041 179.029 175.900 0.148 0.000 1.145 304 Y CA 0.928 59.121 58.100 0.155 0.000 1.148 304 Y CB -0.700 37.879 38.460 0.198 0.000 0.981 304 Y HN 0.111 nan 8.280 nan 0.000 0.507 305 L N -0.915 120.391 121.223 0.139 0.000 2.079 305 L HA -0.276 4.064 4.340 0.000 0.000 0.210 305 L C 2.577 179.454 176.870 0.013 0.000 1.081 305 L CA 1.177 56.031 54.840 0.024 0.000 0.752 305 L CB -0.669 41.373 42.059 -0.029 0.000 0.896 305 L HN 0.255 nan 8.230 nan 0.000 0.433 306 A N -0.278 122.465 122.820 -0.129 0.000 1.873 306 A HA -0.206 4.114 4.320 0.000 0.000 0.215 306 A C 2.285 179.787 177.584 -0.136 0.000 1.186 306 A CA 1.490 53.402 52.037 -0.209 0.000 0.616 306 A CB -0.318 18.364 19.000 -0.530 0.000 0.823 306 A HN 0.284 nan 8.150 nan 0.000 0.442 307 K N -1.498 118.800 120.400 -0.170 0.000 2.209 307 K HA -0.141 4.180 4.320 0.000 0.000 0.204 307 K C 1.066 177.630 176.600 -0.060 0.000 1.048 307 K CA 1.430 57.627 56.287 -0.151 0.000 0.940 307 K CB -0.260 32.120 32.500 -0.200 0.000 0.729 307 K HN 0.649 nan 8.250 nan 0.000 0.451 308 Y N -0.049 120.212 120.300 -0.065 0.000 2.490 308 Y HA 0.131 4.681 4.550 0.000 0.000 0.281 308 Y C 1.293 177.169 175.900 -0.038 0.000 1.174 308 Y CA 0.309 58.389 58.100 -0.034 0.000 1.295 308 Y CB 0.287 38.738 38.460 -0.015 0.000 1.062 308 Y HN 0.172 nan 8.280 nan 0.000 0.522 309 G N 1.153 110.001 108.800 0.079 0.000 2.221 309 G HA2 -0.301 3.659 3.960 0.000 0.000 0.265 309 G HA3 -0.301 3.659 3.960 0.000 0.000 0.265 309 G C -0.068 174.851 174.900 0.032 0.000 1.041 309 G CA 0.086 45.206 45.100 0.033 0.000 0.807 309 G HN 0.360 nan 8.290 nan 0.000 0.502 310 I N 0.320 120.908 120.570 0.030 0.000 2.336 310 I HA 0.389 4.560 4.170 0.000 0.000 0.292 310 I C 0.803 176.896 176.117 -0.040 0.000 0.991 310 I CA -0.708 60.587 61.300 -0.008 0.000 1.227 310 I CB 1.641 39.626 38.000 -0.025 0.000 1.366 310 I HN 0.235 nan 8.210 nan 0.000 0.466 311 M N 6.507 126.069 119.600 -0.064 0.000 2.162 311 M HA 0.560 5.040 4.480 0.000 0.000 0.356 311 M C -0.630 175.572 176.300 -0.163 0.000 1.303 311 M CA -0.092 55.152 55.300 -0.092 0.000 1.116 311 M CB 0.696 33.238 32.600 -0.096 0.000 1.632 311 M HN 0.733 nan 8.290 nan 0.000 0.469 312 A N 5.067 127.808 122.820 -0.132 0.000 2.386 312 A HA 0.796 5.116 4.320 0.000 0.000 0.311 312 A C -1.426 176.082 177.584 -0.128 0.000 1.068 312 A CA -0.662 51.281 52.037 -0.157 0.000 0.743 312 A CB 1.656 20.609 19.000 -0.079 0.000 1.258 312 A HN 0.639 nan 8.150 nan 0.000 0.429 313 V N 2.440 122.259 119.914 -0.158 0.000 2.656 313 V HA 0.662 4.782 4.120 0.000 0.000 0.307 313 V C 0.093 176.212 176.094 0.041 0.000 1.051 313 V CA -0.749 61.534 62.300 -0.028 0.000 0.893 313 V CB 1.582 33.435 31.823 0.050 0.000 0.999 313 V HN 1.142 nan 8.190 nan 0.000 0.426 314 R N 2.486 123.020 120.500 0.057 0.000 2.875 314 R HA 0.841 5.181 4.340 0.000 0.000 0.251 314 R C -0.410 175.930 176.300 0.066 0.000 1.123 314 R CA -1.055 55.081 56.100 0.059 0.000 1.064 314 R CB 0.687 31.014 30.300 0.044 0.000 1.205 314 R HN 0.365 nan 8.270 nan 0.000 0.503 315 R N -0.482 120.050 120.500 0.054 0.000 3.188 315 R HA -0.114 4.226 4.340 0.000 0.000 0.247 315 R C -1.038 175.291 176.300 0.048 0.000 0.918 315 R CA 0.655 56.781 56.100 0.044 0.000 0.629 315 R CB -1.916 28.404 30.300 0.034 0.000 1.087 315 R HN 0.424 nan 8.270 nan 0.000 0.462 316 V N 1.366 121.316 119.914 0.060 0.000 2.498 316 V HA 0.143 4.263 4.120 0.000 0.000 0.279 316 V C 1.132 177.235 176.094 0.014 0.000 1.048 316 V CA -0.573 61.757 62.300 0.049 0.000 0.967 316 V CB 1.600 33.472 31.823 0.080 0.000 0.988 316 V HN 0.274 nan 8.190 nan 0.000 0.473 317 K N 3.159 123.556 120.400 -0.005 0.000 2.489 317 K HA -0.019 4.301 4.320 0.000 0.000 0.278 317 K C 1.285 177.871 176.600 -0.023 0.000 1.000 317 K CA 0.098 56.376 56.287 -0.015 0.000 1.012 317 K CB 0.548 33.033 32.500 -0.024 0.000 0.903 317 K HN 0.607 nan 8.250 nan 0.000 0.485 318 K N 1.901 122.291 120.400 -0.016 0.000 2.152 318 K HA -0.191 4.129 4.320 0.000 0.000 0.206 318 K C 1.688 178.269 176.600 -0.031 0.000 1.048 318 K CA 2.019 58.295 56.287 -0.018 0.000 0.933 318 K CB 0.051 32.545 32.500 -0.011 0.000 0.721 318 K HN 0.668 nan 8.250 nan 0.000 0.447 319 S N 0.288 115.968 115.700 -0.033 0.000 2.402 319 S HA -0.123 4.347 4.470 0.000 0.000 0.229 319 S C 1.473 176.036 174.600 -0.063 0.000 1.021 319 S CA 1.176 59.352 58.200 -0.040 0.000 0.974 319 S CB -0.156 63.024 63.200 -0.033 0.000 0.800 319 S HN 0.292 nan 8.310 nan 0.000 0.484 320 D N 1.384 121.738 120.400 -0.075 0.000 2.123 320 D HA 0.052 4.692 4.640 0.000 0.000 0.200 320 D C 2.054 178.265 176.300 -0.149 0.000 0.976 320 D CA 0.944 54.872 54.000 -0.120 0.000 0.831 320 D CB -0.235 40.491 40.800 -0.124 0.000 0.974 320 D HN 0.263 nan 8.370 nan 0.000 0.469 321 M N 0.674 120.209 119.600 -0.108 0.000 2.108 321 M HA -0.141 4.339 4.480 0.000 0.000 0.261 321 M C 1.934 178.182 176.300 -0.087 0.000 1.066 321 M CA 1.380 56.622 55.300 -0.096 0.000 1.107 321 M CB -0.965 31.611 32.600 -0.040 0.000 1.356 321 M HN 0.109 nan 8.290 nan 0.000 0.406 322 E N -0.143 120.016 120.200 -0.068 0.000 2.150 322 E HA -0.148 4.202 4.350 0.000 0.000 0.193 322 E C 2.054 178.611 176.600 -0.071 0.000 0.985 322 E CA 0.851 57.217 56.400 -0.056 0.000 0.814 322 E CB -0.045 29.630 29.700 -0.041 0.000 0.752 322 E HN 0.520 nan 8.360 nan 0.000 0.466 323 K N 0.573 120.916 120.400 -0.094 0.000 2.103 323 K HA -0.060 4.261 4.320 0.000 0.000 0.204 323 K C 2.170 178.695 176.600 -0.124 0.000 1.052 323 K CA 0.720 56.944 56.287 -0.106 0.000 0.945 323 K CB -0.039 32.388 32.500 -0.123 0.000 0.722 323 K HN 0.098 nan 8.250 nan 0.000 0.443 324 L N 0.570 121.693 121.223 -0.166 0.000 2.083 324 L HA -0.187 4.153 4.340 0.000 0.000 0.209 324 L C 2.550 179.357 176.870 -0.105 0.000 1.083 324 L CA 1.054 55.778 54.840 -0.195 0.000 0.752 324 L CB -0.489 41.376 42.059 -0.323 0.000 0.899 324 L HN 0.210 nan 8.230 nan 0.000 0.433 325 A N -0.095 122.679 122.820 -0.076 0.000 1.873 325 A HA -0.199 4.121 4.320 0.000 0.000 0.215 325 A C 2.304 179.870 177.584 -0.030 0.000 1.186 325 A CA 1.512 53.527 52.037 -0.037 0.000 0.616 325 A CB -0.290 18.694 19.000 -0.028 0.000 0.823 325 A HN 0.285 nan 8.150 nan 0.000 0.442 326 K N -0.569 119.807 120.400 -0.040 0.000 2.217 326 K HA 0.072 4.392 4.320 0.000 0.000 0.202 326 K C 2.117 178.698 176.600 -0.031 0.000 1.051 326 K CA 0.821 57.089 56.287 -0.031 0.000 0.952 326 K CB -0.141 32.337 32.500 -0.036 0.000 0.736 326 K HN 0.459 nan 8.250 nan 0.000 0.453 327 A N 0.887 123.678 122.820 -0.048 0.000 1.887 327 A HA -0.083 4.237 4.320 0.000 0.000 0.212 327 A C 2.163 179.731 177.584 -0.028 0.000 1.198 327 A CA 1.622 53.631 52.037 -0.047 0.000 0.628 327 A CB -0.540 18.415 19.000 -0.075 0.000 0.847 327 A HN 0.367 nan 8.150 nan 0.000 0.449 328 T N -4.690 109.848 114.554 -0.026 0.000 3.081 328 T HA 0.386 4.736 4.350 0.000 0.000 0.255 328 T C 1.453 176.177 174.700 0.040 0.000 1.113 328 T CA 1.207 63.308 62.100 0.002 0.000 1.082 328 T CB 0.182 69.052 68.868 0.004 0.000 0.939 328 T HN 1.693 nan 8.240 nan 0.000 0.506 329 G N 1.299 110.115 108.800 0.026 0.000 2.179 329 G HA2 -0.068 3.892 3.960 0.000 0.000 0.260 329 G HA3 -0.068 3.892 3.960 0.000 0.000 0.260 329 G C 0.367 175.289 174.900 0.038 0.000 0.977 329 G CA 0.017 45.139 45.100 0.036 0.000 0.641 329 G HN 1.172 nan 8.290 nan 0.000 0.533 330 A N -0.224 122.619 122.820 0.038 0.000 2.346 330 A HA 0.653 4.973 4.320 0.000 0.000 0.252 330 A C 0.524 178.124 177.584 0.026 0.000 1.089 330 A CA 0.431 52.493 52.037 0.042 0.000 0.797 330 A CB 0.425 19.458 19.000 0.056 0.000 1.047 330 A HN 0.406 nan 8.150 nan 0.000 0.494 331 K N 1.062 121.478 120.400 0.027 0.000 2.323 331 K HA 0.456 4.776 4.320 0.000 0.000 0.259 331 K C -0.997 175.613 176.600 0.017 0.000 0.947 331 K CA -0.258 56.039 56.287 0.017 0.000 0.819 331 K CB 1.764 34.273 32.500 0.014 0.000 1.109 331 K HN 0.616 nan 8.250 nan 0.000 0.429 332 I N 2.892 123.468 120.570 0.011 0.000 2.648 332 I HA 0.030 4.200 4.170 0.000 0.000 0.284 332 I C -0.026 176.095 176.117 0.008 0.000 1.153 332 I CA -0.271 61.036 61.300 0.012 0.000 1.426 332 I CB 0.597 38.600 38.000 0.005 0.000 1.381 332 I HN 0.162 nan 8.210 nan 0.000 0.571 333 V N 5.469 125.388 119.914 0.008 0.000 2.604 333 V HA 0.205 4.325 4.120 0.000 0.000 0.305 333 V C 0.593 176.683 176.094 -0.006 0.000 1.043 333 V CA -0.397 61.902 62.300 -0.002 0.000 0.888 333 V CB 1.789 33.609 31.823 -0.005 0.000 0.995 333 V HN 0.837 nan 8.190 nan 0.000 0.429 334 T N 2.031 116.578 114.554 -0.012 0.000 3.051 334 T HA 0.081 4.431 4.350 0.000 0.000 0.255 334 T C 0.679 175.364 174.700 -0.025 0.000 1.085 334 T CA 0.640 62.732 62.100 -0.014 0.000 1.109 334 T CB -0.134 68.726 68.868 -0.012 0.000 0.921 334 T HN 0.500 nan 8.240 nan 0.000 0.488 335 N N 1.448 120.125 118.700 -0.038 0.000 2.448 335 N HA 0.190 4.930 4.740 0.000 0.000 0.279 335 N C 1.099 176.552 175.510 -0.096 0.000 1.025 335 N CA -0.239 52.773 53.050 -0.064 0.000 0.898 335 N CB 2.053 40.500 38.487 -0.068 0.000 1.303 335 N HN -0.027 nan 8.380 nan 0.000 0.495 336 V N 2.770 122.616 119.914 -0.114 0.000 2.407 336 V HA -0.162 3.958 4.120 0.000 0.000 0.248 336 V C 1.972 177.876 176.094 -0.316 0.000 1.055 336 V CA 1.360 63.574 62.300 -0.142 0.000 1.049 336 V CB -0.588 31.176 31.823 -0.097 0.000 0.662 336 V HN 0.520 nan 8.190 nan 0.000 0.455 337 K N 0.548 120.662 120.400 -0.476 0.000 2.160 337 K HA -0.212 4.108 4.320 0.000 0.000 0.206 337 K C 1.452 177.839 176.600 -0.355 0.000 1.047 337 K CA 2.192 58.020 56.287 -0.764 0.000 0.930 337 K CB -0.291 31.965 32.500 -0.407 0.000 0.720 337 K HN 0.553 nan 8.250 nan 0.000 0.450 338 D N -0.333 119.958 120.400 -0.182 0.000 2.363 338 D HA 0.047 4.687 4.640 0.000 0.000 0.214 338 D C -0.708 175.566 176.300 -0.043 0.000 1.093 338 D CA -0.173 53.780 54.000 -0.079 0.000 0.837 338 D CB 0.309 41.076 40.800 -0.054 0.000 0.948 338 D HN -0.049 nan 8.370 nan 0.000 0.507 339 L N 1.549 122.742 121.223 -0.050 0.000 2.455 339 L HA 0.294 4.635 4.340 0.000 0.000 0.272 339 L C 0.343 177.223 176.870 0.017 0.000 1.174 339 L CA 0.542 55.376 54.840 -0.011 0.000 0.869 339 L CB 0.439 42.493 42.059 -0.009 0.000 1.130 339 L HN 0.048 nan 8.230 nan 0.000 0.474 340 T N 1.468 116.033 114.554 0.018 0.000 2.887 340 T HA 0.575 4.925 4.350 0.000 0.000 0.292 340 T C -2.229 172.485 174.700 0.024 0.000 1.087 340 T CA -1.643 60.471 62.100 0.024 0.000 1.009 340 T CB 1.583 70.463 68.868 0.019 0.000 1.203 340 T HN 0.370 nan 8.240 nan 0.000 0.518 341 P HA 0.004 nan 4.420 nan 0.000 0.220 341 P C 0.835 178.150 177.300 0.026 0.000 1.148 341 P CA 0.869 63.984 63.100 0.025 0.000 0.803 341 P CB 0.010 31.723 31.700 0.022 0.000 0.782 342 E N -0.905 119.308 120.200 0.021 0.000 2.347 342 E HA -0.119 4.231 4.350 0.000 0.000 0.196 342 E C 1.292 177.906 176.600 0.024 0.000 1.008 342 E CA 0.830 57.242 56.400 0.020 0.000 0.852 342 E CB -0.751 28.957 29.700 0.014 0.000 0.783 342 E HN 0.306 nan 8.360 nan 0.000 0.505 343 D N -0.130 120.284 120.400 0.024 0.000 2.249 343 D HA 0.007 4.647 4.640 0.000 0.000 0.205 343 D C 0.468 176.791 176.300 0.037 0.000 0.962 343 D CA 0.236 54.251 54.000 0.026 0.000 0.860 343 D CB 0.084 40.896 40.800 0.020 0.000 0.955 343 D HN 0.175 nan 8.370 nan 0.000 0.505 344 L N 0.774 122.023 121.223 0.043 0.000 2.483 344 L HA 0.287 4.627 4.340 0.000 0.000 0.276 344 L C 1.245 178.161 176.870 0.076 0.000 1.213 344 L CA -0.114 54.762 54.840 0.060 0.000 0.843 344 L CB 0.446 42.541 42.059 0.060 0.000 1.107 344 L HN -0.053 nan 8.230 nan 0.000 0.487 345 G N 0.830 109.686 108.800 0.094 0.000 2.597 345 G HA2 0.463 4.423 3.960 0.000 0.000 0.317 345 G HA3 0.463 4.423 3.960 0.000 0.000 0.317 345 G C -2.030 172.971 174.900 0.168 0.000 1.230 345 G CA -0.290 44.876 45.100 0.110 0.000 0.996 345 G HN 0.456 nan 8.290 nan 0.000 0.490 346 Y N -0.089 120.234 120.300 0.037 0.000 2.446 346 Y HA 0.683 5.233 4.550 0.000 0.000 0.345 346 Y C -0.359 175.567 175.900 0.043 0.000 0.984 346 Y CA -1.244 56.879 58.100 0.038 0.000 1.058 346 Y CB 2.044 40.520 38.460 0.028 0.000 1.220 346 Y HN 0.782 nan 8.280 nan 0.000 0.455 347 A N 4.990 127.233 122.820 -0.963 0.000 2.408 347 A HA 0.352 4.672 4.320 0.000 0.000 0.295 347 A C 0.359 177.341 177.584 -1.004 0.000 1.040 347 A CA -0.471 51.099 52.037 -0.778 0.000 0.707 347 A CB 1.223 20.065 19.000 -0.263 0.000 1.235 347 A HN 0.973 nan 8.150 nan 0.000 0.418 348 E N 1.167 120.938 120.200 -0.715 0.000 2.265 348 E HA 0.053 4.403 4.350 0.000 0.000 0.196 348 E C -0.337 176.210 176.600 -0.089 0.000 0.996 348 E CA 1.318 57.573 56.400 -0.240 0.000 0.832 348 E CB 0.112 29.794 29.700 -0.029 0.000 0.756 348 E HN 0.477 nan 8.360 nan 0.000 0.491 349 V N 0.305 120.158 119.914 -0.102 0.000 2.903 349 V HA 0.158 4.278 4.120 0.000 0.000 0.289 349 V C -1.272 174.823 176.094 0.001 0.000 1.355 349 V CA -0.880 61.405 62.300 -0.025 0.000 0.953 349 V CB 2.238 34.060 31.823 -0.002 0.000 1.102 349 V HN -0.165 nan 8.190 nan 0.000 0.435 350 V N 4.229 124.159 119.914 0.028 0.000 2.357 350 V HA 0.582 4.702 4.120 0.000 0.000 0.281 350 V C -0.295 175.847 176.094 0.080 0.000 1.015 350 V CA -0.341 62.006 62.300 0.079 0.000 0.827 350 V CB 1.524 33.396 31.823 0.081 0.000 1.018 350 V HN 0.935 nan 8.190 nan 0.000 0.432 351 E N 3.247 123.516 120.200 0.115 0.000 2.317 351 E HA 0.490 4.840 4.350 0.000 0.000 0.270 351 E C -0.878 175.808 176.600 0.143 0.000 0.885 351 E CA -0.742 55.711 56.400 0.088 0.000 0.760 351 E CB 2.285 32.002 29.700 0.028 0.000 1.227 351 E HN 0.722 nan 8.360 nan 0.000 0.434 352 E N 4.228 124.488 120.200 0.100 0.000 2.046 352 E HA 0.249 4.600 4.350 0.000 0.000 0.279 352 E C -0.937 175.714 176.600 0.085 0.000 0.989 352 E CA -0.424 56.049 56.400 0.121 0.000 0.798 352 E CB 0.683 30.432 29.700 0.082 0.000 1.086 352 E HN 0.343 nan 8.360 nan 0.000 0.399 353 R N 3.382 123.955 120.500 0.121 0.000 2.664 353 R HA 0.301 4.641 4.340 0.000 0.000 0.286 353 R C -0.399 175.956 176.300 0.090 0.000 0.967 353 R CA -0.855 55.263 56.100 0.030 0.000 0.933 353 R CB 1.592 31.792 30.300 -0.168 0.000 1.146 353 R HN 0.294 nan 8.270 nan 0.000 0.468 354 K N 3.247 123.673 120.400 0.043 0.000 2.244 354 K HA 0.155 4.475 4.320 0.000 0.000 0.263 354 K C -1.012 175.619 176.600 0.052 0.000 1.103 354 K CA -0.475 55.844 56.287 0.054 0.000 0.966 354 K CB 0.368 32.886 32.500 0.031 0.000 1.429 354 K HN 0.252 nan 8.250 nan 0.000 0.434 355 L N 4.057 125.337 121.223 0.095 0.000 2.261 355 L HA 0.317 4.657 4.340 0.000 0.000 0.289 355 L C -0.031 176.880 176.870 0.069 0.000 1.059 355 L CA 0.729 55.625 54.840 0.093 0.000 0.816 355 L CB 0.535 42.701 42.059 0.178 0.000 1.191 355 L HN 0.779 nan 8.230 nan 0.000 0.431 356 A N 3.908 126.756 122.820 0.046 0.000 2.667 356 A HA 0.094 4.414 4.320 0.000 0.000 0.298 356 A C 1.573 179.177 177.584 0.034 0.000 1.483 356 A CA 1.218 53.277 52.037 0.036 0.000 0.738 356 A CB -2.139 16.884 19.000 0.039 0.000 1.067 356 A HN 2.363 nan 8.150 nan 0.000 0.451 357 G N -1.911 106.908 108.800 0.031 0.000 2.328 357 G HA2 -0.270 3.690 3.960 0.000 0.000 0.256 357 G HA3 -0.270 3.690 3.960 0.000 0.000 0.256 357 G C 0.073 174.993 174.900 0.032 0.000 1.014 357 G CA 1.337 46.453 45.100 0.027 0.000 0.620 357 G HN 1.344 nan 8.290 nan 0.000 0.530 358 E N 1.282 121.507 120.200 0.041 0.000 2.266 358 E HA 0.544 4.894 4.350 0.000 0.000 0.277 358 E C 0.095 176.734 176.600 0.064 0.000 1.018 358 E CA -0.619 55.808 56.400 0.046 0.000 0.840 358 E CB 0.557 30.283 29.700 0.043 0.000 1.082 358 E HN 0.298 nan 8.360 nan 0.000 0.395 359 N N 2.699 121.435 118.700 0.060 0.000 2.479 359 N HA 0.399 5.139 4.740 0.000 0.000 0.285 359 N C -0.595 174.969 175.510 0.090 0.000 1.075 359 N CA 0.012 53.109 53.050 0.078 0.000 0.967 359 N CB 0.821 39.344 38.487 0.060 0.000 1.137 359 N HN 0.386 nan 8.380 nan 0.000 0.472 360 M N 1.290 120.975 119.600 0.142 0.000 2.618 360 M HA 0.520 5.000 4.480 0.000 0.000 0.281 360 M C -0.737 175.674 176.300 0.186 0.000 1.267 360 M CA -0.627 54.742 55.300 0.115 0.000 0.845 360 M CB 2.417 35.062 32.600 0.076 0.000 1.732 360 M HN 0.158 nan 8.290 nan 0.000 0.461 361 I N 1.693 122.323 120.570 0.101 0.000 2.355 361 I HA 0.371 4.541 4.170 0.000 0.000 0.288 361 I C -1.404 174.775 176.117 0.103 0.000 0.999 361 I CA -0.366 61.045 61.300 0.184 0.000 1.163 361 I CB 0.991 39.121 38.000 0.218 0.000 1.316 361 I HN 0.454 nan 8.210 nan 0.000 0.454 362 F N 6.173 126.152 119.950 0.049 0.000 2.371 362 F HA 0.287 4.814 4.527 0.000 0.000 0.363 362 F C 0.304 176.120 175.800 0.026 0.000 1.122 362 F CA -0.606 57.408 58.000 0.022 0.000 1.129 362 F CB 1.244 40.249 39.000 0.008 0.000 1.173 362 F HN 0.049 nan 8.300 nan 0.000 0.489 363 V N 4.901 124.875 119.914 0.100 0.000 2.247 363 V HA 0.202 4.322 4.120 0.000 0.000 0.262 363 V C 0.083 176.192 176.094 0.024 0.000 1.096 363 V CA -0.541 61.798 62.300 0.064 0.000 0.895 363 V CB -0.310 31.515 31.823 0.003 0.000 1.141 363 V HN 0.741 nan 8.190 nan 0.000 0.478 364 E N 2.230 122.461 120.200 0.052 0.000 2.281 364 E HA 0.671 5.021 4.350 0.000 0.000 0.257 364 E C 0.676 177.256 176.600 -0.033 0.000 0.971 364 E CA -0.484 55.933 56.400 0.027 0.000 0.839 364 E CB 1.774 31.526 29.700 0.087 0.000 1.238 364 E HN 0.591 nan 8.360 nan 0.000 0.412 365 G N 0.045 108.831 108.800 -0.023 0.000 2.246 365 G HA2 -0.272 3.688 3.960 0.000 0.000 0.273 365 G HA3 -0.272 3.688 3.960 0.000 0.000 0.273 365 G C 0.089 174.940 174.900 -0.081 0.000 1.055 365 G CA 0.124 45.204 45.100 -0.034 0.000 0.851 365 G HN 0.544 nan 8.290 nan 0.000 0.500 366 C N -0.454 118.805 119.300 -0.068 0.000 2.656 366 C HA 0.423 4.883 4.460 0.000 0.000 0.391 366 C C 2.281 177.292 174.990 0.036 0.000 1.300 366 C CA 0.315 59.292 59.018 -0.069 0.000 2.302 366 C CB 1.199 28.909 27.740 -0.050 0.000 2.655 366 C HN 0.784 nan 8.230 nan 0.000 0.656 367 K N 1.469 121.941 120.400 0.120 0.000 1.980 367 K HA -0.211 4.109 4.320 0.000 0.000 0.229 367 K C 0.685 177.333 176.600 0.080 0.000 1.026 367 K CA 2.315 58.697 56.287 0.159 0.000 1.055 367 K CB -0.148 32.454 32.500 0.171 0.000 0.741 367 K HN 0.766 nan 8.250 nan 0.000 0.448 368 N N 0.660 119.395 118.700 0.058 0.000 2.765 368 N HA 0.233 4.973 4.740 0.000 0.000 0.277 368 N C -2.803 172.721 175.510 0.023 0.000 1.750 368 N CA -1.821 51.251 53.050 0.037 0.000 0.827 368 N CB 1.049 39.556 38.487 0.034 0.000 1.200 368 N HN 0.040 nan 8.380 nan 0.000 0.494 369 P HA -0.029 nan 4.420 nan 0.000 0.263 369 P C -0.129 177.166 177.300 -0.009 0.000 1.168 369 P CA 0.154 63.251 63.100 -0.006 0.000 0.759 369 P CB 1.198 32.886 31.700 -0.021 0.000 0.782 370 K N 1.296 121.688 120.400 -0.014 0.000 2.358 370 K HA 0.387 4.707 4.320 0.000 0.000 0.197 370 K C 0.252 176.836 176.600 -0.028 0.000 1.025 370 K CA 0.068 56.348 56.287 -0.013 0.000 1.104 370 K CB 0.440 32.936 32.500 -0.008 0.000 0.855 370 K HN 0.607 nan 8.250 nan 0.000 0.531 371 A N -0.063 122.732 122.820 -0.043 0.000 2.427 371 A HA 0.675 4.995 4.320 0.000 0.000 0.298 371 A C -1.455 176.082 177.584 -0.080 0.000 1.036 371 A CA -0.660 51.337 52.037 -0.065 0.000 0.701 371 A CB 1.602 20.559 19.000 -0.070 0.000 1.250 371 A HN -0.038 nan 8.150 nan 0.000 0.412 372 V N 1.284 121.135 119.914 -0.104 0.000 3.141 372 V HA 0.915 5.035 4.120 0.000 0.000 0.312 372 V C -0.612 175.383 176.094 -0.165 0.000 1.157 372 V CA -0.237 61.994 62.300 -0.115 0.000 1.041 372 V CB 2.634 34.398 31.823 -0.098 0.000 1.071 372 V HN 1.037 nan 8.190 nan 0.000 0.441 373 T N 4.064 118.524 114.554 -0.157 0.000 2.893 373 T HA 0.608 4.958 4.350 0.000 0.000 0.293 373 T C -0.805 173.797 174.700 -0.163 0.000 1.027 373 T CA -0.161 61.824 62.100 -0.191 0.000 0.988 373 T CB 1.348 70.119 68.868 -0.161 0.000 1.043 373 T HN 0.527 nan 8.240 nan 0.000 0.461 374 I N 3.275 123.724 120.570 -0.202 0.000 2.354 374 I HA 0.305 4.475 4.170 0.000 0.000 0.286 374 I C -0.780 175.344 176.117 0.012 0.000 1.007 374 I CA -0.881 60.368 61.300 -0.086 0.000 1.167 374 I CB 1.461 39.412 38.000 -0.082 0.000 1.320 374 I HN 0.329 nan 8.210 nan 0.000 0.458 375 L N 8.746 129.986 121.223 0.028 0.000 2.315 375 L HA 0.423 4.763 4.340 0.000 0.000 0.283 375 L C -0.346 176.565 176.870 0.067 0.000 1.089 375 L CA 0.305 55.178 54.840 0.054 0.000 0.833 375 L CB 0.364 42.476 42.059 0.088 0.000 1.170 375 L HN 0.364 nan 8.230 nan 0.000 0.442 376 I N 6.092 126.706 120.570 0.073 0.000 2.336 376 I HA 0.452 4.622 4.170 0.000 0.000 0.292 376 I C -0.138 176.001 176.117 0.036 0.000 0.991 376 I CA -0.701 60.633 61.300 0.057 0.000 1.227 376 I CB 0.719 38.759 38.000 0.067 0.000 1.366 376 I HN 0.488 nan 8.210 nan 0.000 0.466 377 R N 4.569 125.077 120.500 0.014 0.000 2.670 377 R HA 0.862 5.202 4.340 0.000 0.000 0.289 377 R C -0.357 175.938 176.300 -0.008 0.000 0.965 377 R CA -0.971 55.134 56.100 0.008 0.000 0.899 377 R CB 2.043 32.346 30.300 0.004 0.000 1.173 377 R HN 0.864 nan 8.270 nan 0.000 0.456 378 G N -0.854 107.950 108.800 0.006 0.000 2.547 378 G HA2 0.358 4.318 3.960 0.000 0.000 0.291 378 G HA3 0.358 4.318 3.960 0.000 0.000 0.291 378 G C 0.373 175.288 174.900 0.025 0.000 1.471 378 G CA -0.262 44.845 45.100 0.011 0.000 0.798 378 G HN 0.460 nan 8.290 nan 0.000 0.504 379 G N -0.885 107.935 108.800 0.032 0.000 2.459 379 G HA2 0.235 4.195 3.960 0.000 0.000 0.217 379 G HA3 0.235 4.195 3.960 0.000 0.000 0.217 379 G C 0.890 175.815 174.900 0.042 0.000 1.183 379 G CA 2.088 47.209 45.100 0.034 0.000 0.776 379 G HN 1.075 nan 8.290 nan 0.000 0.552 380 T N -1.922 112.667 114.554 0.058 0.000 2.930 380 T HA 0.432 4.782 4.350 0.000 0.000 0.290 380 T C 0.968 175.730 174.700 0.103 0.000 1.052 380 T CA -0.309 61.843 62.100 0.086 0.000 1.017 380 T CB 2.059 70.987 68.868 0.101 0.000 1.137 380 T HN 0.067 nan 8.240 nan 0.000 0.511 381 E N 0.403 120.679 120.200 0.126 0.000 2.097 381 E HA -0.164 4.187 4.350 0.000 0.000 0.196 381 E C 1.536 178.138 176.600 0.003 0.000 1.000 381 E CA 2.040 58.469 56.400 0.049 0.000 0.804 381 E CB -0.203 29.505 29.700 0.014 0.000 0.740 381 E HN 0.712 nan 8.360 nan 0.000 0.454 382 H N -1.039 118.032 119.070 0.001 0.000 2.290 382 H HA -0.096 4.460 4.556 0.000 0.000 0.298 382 H C 2.117 177.446 175.328 0.002 0.000 1.087 382 H CA 1.636 57.684 56.048 -0.000 0.000 1.291 382 H CB -0.625 29.139 29.762 0.002 0.000 1.369 382 H HN 0.034 nan 8.280 nan 0.000 0.492 383 V N 0.869 120.866 119.914 0.138 0.000 2.324 383 V HA -0.270 3.850 4.120 0.000 0.000 0.250 383 V C 2.370 178.490 176.094 0.044 0.000 1.060 383 V CA 1.955 64.304 62.300 0.082 0.000 1.042 383 V CB -0.679 31.188 31.823 0.074 0.000 0.650 383 V HN 0.354 nan 8.190 nan 0.000 0.450 384 I N 0.132 120.720 120.570 0.029 0.000 2.090 384 I HA -0.224 3.946 4.170 0.000 0.000 0.236 384 I C 2.427 178.529 176.117 -0.025 0.000 1.064 384 I CA 1.850 63.152 61.300 0.004 0.000 1.324 384 I CB -0.754 37.247 38.000 0.001 0.000 1.044 384 I HN 0.283 nan 8.210 nan 0.000 0.399 385 D N 0.605 120.977 120.400 -0.047 0.000 2.149 385 D HA -0.257 4.383 4.640 0.000 0.000 0.194 385 D C 2.032 178.290 176.300 -0.071 0.000 1.001 385 D CA 1.558 55.511 54.000 -0.077 0.000 0.849 385 D CB -0.311 40.421 40.800 -0.113 0.000 0.939 385 D HN 0.315 nan 8.370 nan 0.000 0.449 386 E N 0.332 120.510 120.200 -0.037 0.000 2.152 386 E HA -0.078 4.272 4.350 0.000 0.000 0.192 386 E C 2.050 178.631 176.600 -0.031 0.000 0.983 386 E CA 0.297 56.682 56.400 -0.025 0.000 0.818 386 E CB -0.016 29.691 29.700 0.011 0.000 0.758 386 E HN 0.046 nan 8.360 nan 0.000 0.467 387 V N 0.727 120.628 119.914 -0.020 0.000 2.427 387 V HA -0.189 3.931 4.120 0.000 0.000 0.248 387 V C 2.358 178.408 176.094 -0.075 0.000 1.051 387 V CA 2.003 64.294 62.300 -0.016 0.000 1.048 387 V CB -0.474 31.354 31.823 0.008 0.000 0.666 387 V HN 0.364 nan 8.190 nan 0.000 0.456 388 E N 0.305 120.428 120.200 -0.127 0.000 2.051 388 E HA -0.248 4.102 4.350 0.000 0.000 0.192 388 E C 2.483 178.876 176.600 -0.345 0.000 0.991 388 E CA 1.348 57.572 56.400 -0.294 0.000 0.799 388 E CB -0.038 29.493 29.700 -0.282 0.000 0.748 388 E HN 0.503 nan 8.360 nan 0.000 0.449 389 R N -0.007 120.370 120.500 -0.206 0.000 2.083 389 R HA -0.148 4.193 4.340 0.000 0.000 0.237 389 R C 2.478 178.705 176.300 -0.122 0.000 1.137 389 R CA 1.230 57.234 56.100 -0.160 0.000 0.951 389 R CB -0.413 29.829 30.300 -0.097 0.000 0.851 389 R HN 0.190 nan 8.270 nan 0.000 0.434 390 A N 1.267 124.040 122.820 -0.080 0.000 1.892 390 A HA -0.182 4.138 4.320 0.000 0.000 0.218 390 A C 2.208 179.771 177.584 -0.036 0.000 1.188 390 A CA 1.375 53.390 52.037 -0.037 0.000 0.631 390 A CB -0.673 18.325 19.000 -0.004 0.000 0.822 390 A HN 0.213 nan 8.150 nan 0.000 0.447 391 L N -0.788 120.399 121.223 -0.061 0.000 2.046 391 L HA -0.213 4.128 4.340 0.000 0.000 0.208 391 L C 2.627 179.498 176.870 0.001 0.000 1.077 391 L CA 1.665 56.505 54.840 0.001 0.000 0.747 391 L CB -0.592 41.504 42.059 0.063 0.000 0.896 391 L HN 0.500 nan 8.230 nan 0.000 0.432 392 E N -0.133 119.963 120.200 -0.174 0.000 2.110 392 E HA -0.218 4.132 4.350 0.000 0.000 0.193 392 E C 1.613 178.209 176.600 -0.006 0.000 0.988 392 E CA 1.224 57.565 56.400 -0.099 0.000 0.804 392 E CB -0.051 29.515 29.700 -0.224 0.000 0.745 392 E HN 0.519 nan 8.360 nan 0.000 0.458 393 D N 0.495 120.881 120.400 -0.024 0.000 2.137 393 D HA -0.058 4.583 4.640 0.000 0.000 0.202 393 D C 1.968 178.278 176.300 0.018 0.000 0.970 393 D CA 1.059 55.057 54.000 -0.003 0.000 0.837 393 D CB -0.194 40.599 40.800 -0.012 0.000 0.981 393 D HN 0.122 nan 8.370 nan 0.000 0.475 394 A N 0.903 123.739 122.820 0.026 0.000 1.908 394 A HA -0.149 4.171 4.320 0.000 0.000 0.218 394 A C 2.531 180.144 177.584 0.049 0.000 1.181 394 A CA 1.230 53.290 52.037 0.038 0.000 0.627 394 A CB -0.775 18.253 19.000 0.048 0.000 0.818 394 A HN 0.140 nan 8.150 nan 0.000 0.445 395 V N -0.166 119.796 119.914 0.080 0.000 2.358 395 V HA -0.224 3.896 4.120 0.000 0.000 0.246 395 V C 2.450 178.577 176.094 0.054 0.000 1.047 395 V CA 2.277 64.628 62.300 0.086 0.000 1.035 395 V CB -0.542 31.381 31.823 0.167 0.000 0.658 395 V HN 0.542 nan 8.190 nan 0.000 0.452 396 K N 0.005 120.436 120.400 0.052 0.000 2.147 396 K HA -0.136 4.184 4.320 0.000 0.000 0.205 396 K C 1.977 178.589 176.600 0.020 0.000 1.049 396 K CA 1.658 57.965 56.287 0.034 0.000 0.936 396 K CB -0.233 32.284 32.500 0.029 0.000 0.722 396 K HN 0.580 nan 8.250 nan 0.000 0.446 397 V N -2.159 117.765 119.914 0.017 0.000 2.591 397 V HA -0.121 3.999 4.120 0.000 0.000 0.249 397 V C 2.050 178.145 176.094 0.001 0.000 1.053 397 V CA 1.051 63.356 62.300 0.009 0.000 1.068 397 V CB -0.607 31.222 31.823 0.010 0.000 0.689 397 V HN -0.062 nan 8.190 nan 0.000 0.462 398 V N 0.918 120.832 119.914 0.000 0.000 2.343 398 V HA -0.249 3.871 4.120 0.000 0.000 0.247 398 V C 2.691 178.766 176.094 -0.031 0.000 1.051 398 V CA 2.556 64.845 62.300 -0.019 0.000 1.036 398 V CB -0.930 30.883 31.823 -0.017 0.000 0.654 398 V HN 0.687 nan 8.190 nan 0.000 0.451 399 K N 0.166 120.559 120.400 -0.013 0.000 2.103 399 K HA -0.247 4.073 4.320 0.000 0.000 0.207 399 K C 1.769 178.365 176.600 -0.007 0.000 1.048 399 K CA 2.026 58.307 56.287 -0.010 0.000 0.930 399 K CB -0.251 32.255 32.500 0.010 0.000 0.716 399 K HN 0.474 nan 8.250 nan 0.000 0.444 400 D N 0.518 120.917 120.400 -0.001 0.000 2.084 400 D HA -0.139 4.501 4.640 0.000 0.000 0.194 400 D C 2.038 178.337 176.300 -0.002 0.000 0.990 400 D CA 1.332 55.334 54.000 0.004 0.000 0.826 400 D CB -0.329 40.474 40.800 0.006 0.000 0.971 400 D HN 0.084 nan 8.370 nan 0.000 0.453 401 V N 1.107 121.012 119.914 -0.014 0.000 2.594 401 V HA -0.203 3.917 4.120 0.000 0.000 0.253 401 V C 2.452 178.524 176.094 -0.037 0.000 1.069 401 V CA 1.187 63.475 62.300 -0.020 0.000 1.082 401 V CB -0.426 31.382 31.823 -0.025 0.000 0.680 401 V HN 0.203 nan 8.190 nan 0.000 0.469 402 M N -0.787 118.770 119.600 -0.072 0.000 2.288 402 M HA -0.096 4.384 4.480 0.000 0.000 0.266 402 M C 2.117 178.418 176.300 0.001 0.000 1.072 402 M CA 1.542 56.755 55.300 -0.146 0.000 1.132 402 M CB -0.223 32.197 32.600 -0.301 0.000 1.386 402 M HN 0.395 nan 8.290 nan 0.000 0.432 403 E N 0.013 120.235 120.200 0.037 0.000 2.190 403 E HA -0.107 4.243 4.350 0.000 0.000 0.191 403 E C 1.188 177.827 176.600 0.064 0.000 0.978 403 E CA 0.724 57.175 56.400 0.085 0.000 0.839 403 E CB 0.209 29.947 29.700 0.063 0.000 0.787 403 E HN 0.429 nan 8.360 nan 0.000 0.473 404 D N -0.369 120.054 120.400 0.038 0.000 2.197 404 D HA 0.028 4.668 4.640 0.000 0.000 0.212 404 D C 1.213 177.532 176.300 0.031 0.000 0.963 404 D CA 1.202 55.221 54.000 0.031 0.000 0.864 404 D CB 0.005 40.817 40.800 0.019 0.000 1.009 404 D HN 0.244 nan 8.370 nan 0.000 0.479 405 G N 0.372 109.187 108.800 0.024 0.000 2.182 405 G HA2 0.031 3.991 3.960 0.000 0.000 0.248 405 G HA3 0.031 3.991 3.960 0.000 0.000 0.248 405 G C 0.097 175.007 174.900 0.016 0.000 1.042 405 G CA 0.386 45.500 45.100 0.023 0.000 0.775 405 G HN 0.697 nan 8.290 nan 0.000 0.501 406 A N -1.446 121.381 122.820 0.012 0.000 2.520 406 A HA 1.047 5.367 4.320 0.000 0.000 0.298 406 A C -0.044 177.545 177.584 0.008 0.000 1.051 406 A CA 0.036 52.080 52.037 0.010 0.000 0.690 406 A CB 2.234 21.241 19.000 0.011 0.000 1.281 406 A HN 1.955 nan 8.150 nan 0.000 0.402 407 V N -0.597 119.322 119.914 0.008 0.000 3.167 407 V HA 0.946 5.066 4.120 0.000 0.000 0.310 407 V C -0.870 175.231 176.094 0.012 0.000 1.207 407 V CA -0.917 61.388 62.300 0.009 0.000 1.059 407 V CB 1.616 33.443 31.823 0.007 0.000 1.079 407 V HN 0.936 nan 8.190 nan 0.000 0.446 408 L N 0.789 122.020 121.223 0.014 0.000 2.409 408 L HA 0.665 5.005 4.340 0.000 0.000 0.255 408 L C -2.691 174.192 176.870 0.022 0.000 1.027 408 L CA -1.852 53.000 54.840 0.020 0.000 0.834 408 L CB 3.360 45.432 42.059 0.021 0.000 1.426 408 L HN 0.549 nan 8.230 nan 0.000 0.411 409 P HA 0.236 nan 4.420 nan 0.000 0.274 409 P C -1.037 176.282 177.300 0.032 0.000 1.237 409 P CA -0.178 62.942 63.100 0.033 0.000 0.793 409 P CB 1.566 33.292 31.700 0.043 0.000 0.977 410 A N 1.117 123.956 122.820 0.031 0.000 3.322 410 A HA 0.677 4.997 4.320 0.000 0.000 0.201 410 A C 0.989 178.585 177.584 0.021 0.000 1.668 410 A CA -0.204 51.847 52.037 0.024 0.000 0.861 410 A CB -0.855 18.161 19.000 0.026 0.000 1.769 410 A HN 0.694 nan 8.150 nan 0.000 0.578 411 G N -1.755 107.050 108.800 0.009 0.000 2.366 411 G HA2 0.212 4.172 3.960 0.000 0.000 0.299 411 G HA3 0.212 4.172 3.960 0.000 0.000 0.299 411 G C 1.588 176.483 174.900 -0.009 0.000 1.020 411 G CA 1.285 46.383 45.100 -0.004 0.000 1.026 411 G HN 2.623 nan 8.290 nan 0.000 0.512 412 G N -1.530 107.260 108.800 -0.016 0.000 2.175 412 G HA2 0.007 3.967 3.960 0.000 0.000 0.265 412 G HA3 0.007 3.967 3.960 0.000 0.000 0.265 412 G C 1.688 176.570 174.900 -0.030 0.000 0.979 412 G CA 1.424 46.506 45.100 -0.030 0.000 0.663 412 G HN 2.137 nan 8.290 nan 0.000 0.533 413 A N 0.664 123.488 122.820 0.007 0.000 1.940 413 A HA 0.158 4.478 4.320 0.000 0.000 0.219 413 A C 0.677 178.283 177.584 0.036 0.000 1.176 413 A CA 2.454 54.521 52.037 0.050 0.000 0.631 413 A CB -0.859 18.201 19.000 0.100 0.000 0.814 413 A HN 0.490 nan 8.150 nan 0.000 0.446 414 P HA -0.106 nan 4.420 nan 0.000 0.217 414 P C 1.185 178.475 177.300 -0.018 0.000 1.154 414 P CA 1.223 64.335 63.100 0.020 0.000 0.841 414 P CB -0.058 31.652 31.700 0.017 0.000 0.788 415 E N 0.042 120.217 120.200 -0.041 0.000 2.150 415 E HA -0.104 4.246 4.350 0.000 0.000 0.193 415 E C 2.050 178.593 176.600 -0.095 0.000 0.985 415 E CA 1.010 57.377 56.400 -0.056 0.000 0.814 415 E CB -1.121 28.541 29.700 -0.063 0.000 0.752 415 E HN 0.317 nan 8.360 nan 0.000 0.466 416 I N 1.121 121.591 120.570 -0.165 0.000 2.353 416 I HA -0.201 3.969 4.170 0.000 0.000 0.248 416 I C 2.594 178.485 176.117 -0.376 0.000 1.119 416 I CA 1.216 62.335 61.300 -0.301 0.000 1.417 416 I CB -0.140 37.585 38.000 -0.458 0.000 1.078 416 I HN 0.080 nan 8.210 nan 0.000 0.421 417 E N 1.668 121.698 120.200 -0.282 0.000 2.047 417 E HA -0.164 4.186 4.350 0.000 0.000 0.191 417 E C 2.214 178.815 176.600 0.002 0.000 0.987 417 E CA 1.309 57.692 56.400 -0.029 0.000 0.799 417 E CB -0.242 29.547 29.700 0.148 0.000 0.752 417 E HN 0.365 nan 8.360 nan 0.000 0.449 418 L N -0.031 121.189 121.223 -0.004 0.000 2.083 418 L HA -0.165 4.175 4.340 0.000 0.000 0.209 418 L C 2.449 179.343 176.870 0.039 0.000 1.083 418 L CA 1.046 55.903 54.840 0.028 0.000 0.752 418 L CB -0.628 41.454 42.059 0.038 0.000 0.899 418 L HN 0.242 nan 8.230 nan 0.000 0.433 419 A N 0.751 123.572 122.820 0.002 0.000 1.825 419 A HA -0.190 4.130 4.320 0.000 0.000 0.214 419 A C 2.160 179.759 177.584 0.026 0.000 1.206 419 A CA 1.496 53.541 52.037 0.014 0.000 0.609 419 A CB -0.812 18.171 19.000 -0.028 0.000 0.851 419 A HN 0.272 nan 8.150 nan 0.000 0.445 420 I N -0.905 119.664 120.570 -0.002 0.000 2.181 420 I HA -0.355 3.815 4.170 0.000 0.000 0.247 420 I C 2.782 178.931 176.117 0.053 0.000 1.081 420 I CA 2.232 63.547 61.300 0.026 0.000 1.340 420 I CB -0.301 37.720 38.000 0.036 0.000 1.036 420 I HN 0.385 nan 8.210 nan 0.000 0.417 421 R N 1.187 121.722 120.500 0.058 0.000 2.055 421 R HA 0.008 4.348 4.340 0.000 0.000 0.226 421 R C 2.154 178.509 176.300 0.091 0.000 1.135 421 R CA 1.038 57.179 56.100 0.069 0.000 0.959 421 R CB -0.409 29.925 30.300 0.057 0.000 0.854 421 R HN 0.220 nan 8.270 nan 0.000 0.431 422 L N 1.106 122.388 121.223 0.098 0.000 2.651 422 L HA -0.164 4.176 4.340 0.000 0.000 0.236 422 L C 1.490 178.456 176.870 0.160 0.000 1.173 422 L CA 1.003 55.934 54.840 0.150 0.000 0.843 422 L CB -0.316 41.839 42.059 0.160 0.000 0.964 422 L HN 0.425 nan 8.230 nan 0.000 0.454 423 D N -0.660 119.807 120.400 0.112 0.000 2.305 423 D HA -0.103 4.537 4.640 0.000 0.000 0.206 423 D C 1.737 178.081 176.300 0.074 0.000 0.974 423 D CA 0.453 54.503 54.000 0.085 0.000 0.871 423 D CB 0.550 41.388 40.800 0.063 0.000 0.947 423 D HN 0.280 nan 8.370 nan 0.000 0.516 424 E N 0.158 120.414 120.200 0.093 0.000 2.076 424 E HA -0.145 4.205 4.350 0.000 0.000 0.190 424 E C 1.832 178.499 176.600 0.112 0.000 0.979 424 E CA 0.422 56.873 56.400 0.084 0.000 0.807 424 E CB -0.779 28.973 29.700 0.086 0.000 0.761 424 E HN 0.392 nan 8.360 nan 0.000 0.454 425 Y N 1.830 122.136 120.300 0.010 0.000 2.207 425 Y HA -0.199 4.351 4.550 0.000 0.000 0.287 425 Y C 2.137 178.038 175.900 0.002 0.000 1.156 425 Y CA 1.163 59.263 58.100 0.001 0.000 1.182 425 Y CB -0.569 37.885 38.460 -0.010 0.000 0.979 425 Y HN 0.006 nan 8.280 nan 0.000 0.521 426 A N 0.849 123.624 122.820 -0.075 0.000 1.851 426 A HA -0.203 4.117 4.320 0.000 0.000 0.216 426 A C 2.283 179.785 177.584 -0.137 0.000 1.195 426 A CA 2.069 54.019 52.037 -0.145 0.000 0.622 426 A CB -0.557 18.430 19.000 -0.022 0.000 0.831 426 A HN 0.333 nan 8.150 nan 0.000 0.444 427 K N 0.259 120.623 120.400 -0.059 0.000 2.034 427 K HA -0.244 4.076 4.320 0.000 0.000 0.214 427 K C 2.074 178.633 176.600 -0.069 0.000 1.051 427 K CA 2.070 58.330 56.287 -0.044 0.000 0.931 427 K CB -1.051 31.443 32.500 -0.010 0.000 0.715 427 K HN 0.778 nan 8.250 nan 0.000 0.446 428 Q N 0.508 120.265 119.800 -0.071 0.000 2.077 428 Q HA -0.148 4.192 4.340 0.000 0.000 0.206 428 Q C 2.264 178.186 176.000 -0.130 0.000 0.989 428 Q CA 1.815 57.577 55.803 -0.069 0.000 0.853 428 Q CB -0.509 28.222 28.738 -0.012 0.000 0.907 428 Q HN 0.072 nan 8.270 nan 0.000 0.418 429 V N 0.259 120.012 119.914 -0.269 0.000 2.295 429 V HA -0.144 3.976 4.120 0.000 0.000 0.246 429 V C 1.276 177.283 176.094 -0.145 0.000 1.049 429 V CA 1.361 63.503 62.300 -0.263 0.000 1.024 429 V CB -1.597 29.972 31.823 -0.423 0.000 0.648 429 V HN 0.684 nan 8.190 nan 0.000 0.447 430 G N -1.013 107.712 108.800 -0.126 0.000 2.901 430 G HA2 0.325 4.285 3.960 0.000 0.000 0.654 430 G HA3 0.325 4.285 3.960 0.000 0.000 0.654 430 G C 0.450 175.313 174.900 -0.063 0.000 1.550 430 G CA -0.228 44.827 45.100 -0.075 0.000 0.978 430 G HN 1.809 nan 8.290 nan 0.000 0.566 431 G N 0.239 109.013 108.800 -0.042 0.000 2.568 431 G HA2 0.007 3.967 3.960 0.000 0.000 0.222 431 G HA3 0.007 3.967 3.960 0.000 0.000 0.222 431 G C 0.993 175.876 174.900 -0.029 0.000 1.321 431 G CA 0.748 45.828 45.100 -0.033 0.000 0.893 431 G HN 1.367 nan 8.290 nan 0.000 0.569 432 K N 0.502 120.888 120.400 -0.024 0.000 2.057 432 K HA -0.059 4.261 4.320 0.000 0.000 0.207 432 K C 2.462 179.048 176.600 -0.022 0.000 1.049 432 K CA 2.204 58.480 56.287 -0.018 0.000 0.931 432 K CB -0.440 32.052 32.500 -0.014 0.000 0.714 432 K HN 0.548 nan 8.250 nan 0.000 0.440 433 E N 1.007 121.187 120.200 -0.032 0.000 2.058 433 E HA -0.146 4.204 4.350 0.000 0.000 0.194 433 E C 1.946 178.523 176.600 -0.038 0.000 0.997 433 E CA 1.474 57.852 56.400 -0.036 0.000 0.801 433 E CB -0.506 29.160 29.700 -0.056 0.000 0.746 433 E HN 0.328 nan 8.360 nan 0.000 0.450 434 A N 0.396 123.181 122.820 -0.058 0.000 2.032 434 A HA -0.200 4.121 4.320 0.000 0.000 0.221 434 A C 1.989 179.570 177.584 -0.006 0.000 1.165 434 A CA 1.250 53.253 52.037 -0.058 0.000 0.645 434 A CB -0.508 18.455 19.000 -0.062 0.000 0.807 434 A HN 0.167 nan 8.150 nan 0.000 0.453 435 L N -0.763 120.462 121.223 0.003 0.000 2.056 435 L HA -0.071 4.269 4.340 0.000 0.000 0.207 435 L C 2.971 179.879 176.870 0.064 0.000 1.078 435 L CA 1.901 56.756 54.840 0.025 0.000 0.749 435 L CB -1.104 40.961 42.059 0.009 0.000 0.901 435 L HN 0.387 nan 8.230 nan 0.000 0.433 436 A N -0.577 122.279 122.820 0.061 0.000 1.898 436 A HA -0.144 4.176 4.320 0.000 0.000 0.216 436 A C 2.315 180.085 177.584 0.309 0.000 1.181 436 A CA 1.548 53.665 52.037 0.133 0.000 0.620 436 A CB -0.683 18.332 19.000 0.024 0.000 0.819 436 A HN 0.356 nan 8.150 nan 0.000 0.442 437 I N -0.426 120.248 120.570 0.174 0.000 2.226 437 I HA -0.273 3.897 4.170 0.000 0.000 0.245 437 I C 2.474 178.705 176.117 0.189 0.000 1.100 437 I CA 1.706 63.095 61.300 0.150 0.000 1.374 437 I CB -0.438 37.569 38.000 0.012 0.000 1.057 437 I HN 0.428 nan 8.210 nan 0.000 0.413 438 E N 0.604 120.886 120.200 0.135 0.000 2.106 438 E HA -0.192 4.158 4.350 0.000 0.000 0.192 438 E C 1.838 178.529 176.600 0.151 0.000 0.984 438 E CA 1.095 57.566 56.400 0.119 0.000 0.806 438 E CB -0.085 29.658 29.700 0.072 0.000 0.750 438 E HN 0.409 nan 8.360 nan 0.000 0.458 439 N N 0.128 118.942 118.700 0.191 0.000 2.188 439 N HA -0.128 4.612 4.740 0.000 0.000 0.184 439 N C 1.349 176.997 175.510 0.231 0.000 1.018 439 N CA 0.679 53.848 53.050 0.199 0.000 0.858 439 N CB -0.179 38.441 38.487 0.222 0.000 0.989 439 N HN 0.100 nan 8.380 nan 0.000 0.426 440 F N 1.081 121.111 119.950 0.134 0.000 2.102 440 F HA -0.082 4.445 4.527 0.000 0.000 0.298 440 F C 2.118 177.891 175.800 -0.045 0.000 1.105 440 F CA 1.271 59.238 58.000 -0.055 0.000 1.239 440 F CB -0.230 38.695 39.000 -0.124 0.000 0.991 440 F HN 0.039 nan 8.300 nan 0.000 0.474 441 A N -0.716 122.275 122.820 0.286 0.000 2.019 441 A HA -0.222 4.098 4.320 0.000 0.000 0.219 441 A C 1.756 179.370 177.584 0.050 0.000 1.164 441 A CA 2.074 54.211 52.037 0.167 0.000 0.644 441 A CB -1.006 18.085 19.000 0.153 0.000 0.805 441 A HN 0.529 nan 8.150 nan 0.000 0.449 442 D N -0.812 119.613 120.400 0.042 0.000 2.162 442 D HA 0.127 4.767 4.640 0.000 0.000 0.205 442 D C 2.116 178.392 176.300 -0.041 0.000 0.964 442 D CA 1.121 55.124 54.000 0.005 0.000 0.847 442 D CB -0.152 40.662 40.800 0.024 0.000 0.988 442 D HN 0.300 nan 8.370 nan 0.000 0.480 443 A N 0.629 123.405 122.820 -0.073 0.000 1.917 443 A HA -0.181 4.139 4.320 0.000 0.000 0.219 443 A C 2.207 179.693 177.584 -0.164 0.000 1.182 443 A CA 1.150 53.106 52.037 -0.135 0.000 0.633 443 A CB -1.119 17.744 19.000 -0.229 0.000 0.819 443 A HN 0.395 nan 8.150 nan 0.000 0.448 444 L N -0.955 120.151 121.223 -0.195 0.000 2.556 444 L HA -0.198 4.142 4.340 0.000 0.000 0.230 444 L C 1.799 178.607 176.870 -0.105 0.000 1.163 444 L CA 1.284 56.026 54.840 -0.163 0.000 0.819 444 L CB -0.418 41.567 42.059 -0.123 0.000 0.939 444 L HN 0.435 nan 8.230 nan 0.000 0.452 445 K N 0.010 120.359 120.400 -0.085 0.000 2.444 445 K HA 0.034 4.354 4.320 0.000 0.000 0.193 445 K C 1.629 178.190 176.600 -0.064 0.000 1.024 445 K CA 0.309 56.555 56.287 -0.068 0.000 1.077 445 K CB 0.106 32.575 32.500 -0.053 0.000 0.833 445 K HN 0.314 nan 8.250 nan 0.000 0.517 446 I N -0.360 120.167 120.570 -0.072 0.000 2.830 446 I HA -0.177 3.993 4.170 0.000 0.000 0.263 446 I C 1.661 177.742 176.117 -0.061 0.000 1.230 446 I CA 0.882 62.144 61.300 -0.063 0.000 1.480 446 I CB -0.396 37.564 38.000 -0.067 0.000 1.095 446 I HN -0.010 nan 8.210 nan 0.000 0.455 447 I N 1.455 121.986 120.570 -0.065 0.000 2.162 447 I HA -0.047 4.123 4.170 0.000 0.000 0.238 447 I C 0.145 176.229 176.117 -0.054 0.000 1.076 447 I CA 1.346 62.611 61.300 -0.059 0.000 1.353 447 I CB -2.708 35.256 38.000 -0.059 0.000 1.063 447 I HN 0.157 nan 8.210 nan 0.000 0.408 448 P HA -0.148 nan 4.420 nan 0.000 0.215 448 P C 1.837 179.110 177.300 -0.046 0.000 1.153 448 P CA 1.492 64.563 63.100 -0.049 0.000 0.853 448 P CB -0.007 31.662 31.700 -0.053 0.000 0.788 449 K N -0.420 119.952 120.400 -0.047 0.000 1.969 449 K HA -0.136 4.184 4.320 0.000 0.000 0.216 449 K C 2.071 178.645 176.600 -0.043 0.000 1.048 449 K CA 2.519 58.781 56.287 -0.042 0.000 0.948 449 K CB -1.098 31.377 32.500 -0.041 0.000 0.726 449 K HN 0.209 nan 8.250 nan 0.000 0.442 450 T N -0.225 114.301 114.554 -0.046 0.000 3.051 450 T HA -0.044 4.306 4.350 0.000 0.000 0.269 450 T C 2.001 176.670 174.700 -0.052 0.000 1.127 450 T CA 0.608 62.680 62.100 -0.046 0.000 1.107 450 T CB -0.125 68.715 68.868 -0.046 0.000 0.898 450 T HN 0.120 nan 8.240 nan 0.000 0.517 451 L N 0.349 121.539 121.223 -0.055 0.000 2.068 451 L HA 0.167 4.507 4.340 0.000 0.000 0.204 451 L C 3.251 180.079 176.870 -0.071 0.000 1.076 451 L CA 1.216 56.016 54.840 -0.067 0.000 0.753 451 L CB -0.678 41.342 42.059 -0.065 0.000 0.910 451 L HN 0.391 nan 8.230 nan 0.000 0.439 452 A N -0.655 122.130 122.820 -0.058 0.000 2.015 452 A HA -0.223 4.097 4.320 0.000 0.000 0.219 452 A C 2.163 179.718 177.584 -0.049 0.000 1.163 452 A CA 1.549 53.554 52.037 -0.053 0.000 0.646 452 A CB -0.364 18.612 19.000 -0.040 0.000 0.806 452 A HN 0.467 nan 8.150 nan 0.000 0.448 453 E N 0.186 120.359 120.200 -0.046 0.000 2.016 453 E HA -0.175 4.175 4.350 0.000 0.000 0.190 453 E C 1.533 178.107 176.600 -0.044 0.000 0.985 453 E CA 1.075 57.451 56.400 -0.040 0.000 0.802 453 E CB -0.155 29.523 29.700 -0.037 0.000 0.762 453 E HN 0.553 nan 8.360 nan 0.000 0.448 454 N N 0.347 119.017 118.700 -0.051 0.000 2.348 454 N HA -0.149 4.591 4.740 0.000 0.000 0.185 454 N C 1.285 176.757 175.510 -0.063 0.000 1.019 454 N CA 1.056 54.073 53.050 -0.054 0.000 0.880 454 N CB -0.085 38.367 38.487 -0.059 0.000 0.965 454 N HN 0.184 nan 8.380 nan 0.000 0.437 455 A N -0.079 122.698 122.820 -0.072 0.000 2.238 455 A HA 0.376 4.696 4.320 0.000 0.000 0.208 455 A C 1.654 179.205 177.584 -0.055 0.000 1.177 455 A CA 0.861 52.849 52.037 -0.082 0.000 0.804 455 A CB -0.216 18.722 19.000 -0.103 0.000 0.823 455 A HN 0.308 nan 8.150 nan 0.000 0.482 456 G N -1.176 107.598 108.800 -0.043 0.000 2.179 456 G HA2 -0.251 3.709 3.960 0.000 0.000 0.260 456 G HA3 -0.251 3.709 3.960 0.000 0.000 0.260 456 G C 0.331 175.216 174.900 -0.026 0.000 0.977 456 G CA 0.466 45.548 45.100 -0.030 0.000 0.641 456 G HN 0.461 nan 8.290 nan 0.000 0.533 457 L N 0.182 121.386 121.223 -0.031 0.000 2.464 457 L HA 0.423 4.763 4.340 0.000 0.000 0.224 457 L C 0.818 177.676 176.870 -0.021 0.000 1.219 457 L CA -0.245 54.580 54.840 -0.025 0.000 0.831 457 L CB 0.131 42.173 42.059 -0.028 0.000 1.284 457 L HN 0.128 nan 8.230 nan 0.000 0.522 458 D N -0.440 119.950 120.400 -0.017 0.000 2.441 458 D HA 0.084 4.724 4.640 0.000 0.000 0.221 458 D C 0.824 177.114 176.300 -0.016 0.000 1.156 458 D CA -0.206 53.785 54.000 -0.015 0.000 0.896 458 D CB 1.124 41.918 40.800 -0.010 0.000 1.028 458 D HN 0.450 nan 8.370 nan 0.000 0.509 459 T N 2.576 117.118 114.554 -0.019 0.000 2.536 459 T HA -0.191 4.159 4.350 0.000 0.000 0.263 459 T C 2.007 176.697 174.700 -0.017 0.000 1.115 459 T CA 1.982 64.070 62.100 -0.021 0.000 1.180 459 T CB -0.219 68.635 68.868 -0.022 0.000 0.864 459 T HN 0.344 nan 8.240 nan 0.000 0.419 460 V N 1.289 121.194 119.914 -0.014 0.000 2.220 460 V HA -0.265 3.855 4.120 0.000 0.000 0.250 460 V C 2.470 178.558 176.094 -0.009 0.000 1.056 460 V CA 2.430 64.723 62.300 -0.011 0.000 1.016 460 V CB -0.749 31.069 31.823 -0.009 0.000 0.639 460 V HN 0.557 nan 8.190 nan 0.000 0.446 461 E N -0.652 119.544 120.200 -0.008 0.000 2.051 461 E HA -0.303 4.047 4.350 0.000 0.000 0.192 461 E C 2.155 178.753 176.600 -0.004 0.000 0.991 461 E CA 1.888 58.285 56.400 -0.005 0.000 0.799 461 E CB -0.172 29.526 29.700 -0.004 0.000 0.748 461 E HN 0.480 nan 8.360 nan 0.000 0.449 462 M N 0.498 120.093 119.600 -0.007 0.000 2.080 462 M HA -0.153 4.327 4.480 0.000 0.000 0.260 462 M C 1.973 178.268 176.300 -0.008 0.000 1.068 462 M CA 1.205 56.500 55.300 -0.008 0.000 1.109 462 M CB -0.300 32.292 32.600 -0.013 0.000 1.342 462 M HN 0.242 nan 8.290 nan 0.000 0.405 463 L N -0.456 120.760 121.223 -0.012 0.000 2.450 463 L HA -0.061 4.279 4.340 0.000 0.000 0.224 463 L C 1.792 178.657 176.870 -0.008 0.000 1.149 463 L CA 1.069 55.900 54.840 -0.015 0.000 0.816 463 L CB -0.451 41.596 42.059 -0.020 0.000 0.932 463 L HN 0.253 nan 8.230 nan 0.000 0.449 464 V N -1.559 118.353 119.914 -0.003 0.000 2.500 464 V HA -0.136 3.984 4.120 0.000 0.000 0.243 464 V C 2.321 178.421 176.094 0.009 0.000 1.039 464 V CA 1.162 63.464 62.300 0.002 0.000 1.053 464 V CB -0.569 31.255 31.823 0.003 0.000 0.695 464 V HN 0.357 nan 8.190 nan 0.000 0.463 465 K N 0.647 121.052 120.400 0.009 0.000 2.057 465 K HA -0.100 4.220 4.320 0.000 0.000 0.207 465 K C 2.120 178.735 176.600 0.025 0.000 1.049 465 K CA 1.494 57.790 56.287 0.015 0.000 0.931 465 K CB -0.475 32.033 32.500 0.012 0.000 0.714 465 K HN 0.387 nan 8.250 nan 0.000 0.440 466 V N 2.074 122.001 119.914 0.021 0.000 2.343 466 V HA -0.228 3.892 4.120 0.000 0.000 0.247 466 V C 2.215 178.341 176.094 0.053 0.000 1.051 466 V CA 1.638 63.958 62.300 0.033 0.000 1.036 466 V CB -0.578 31.250 31.823 0.009 0.000 0.654 466 V HN 0.271 nan 8.190 nan 0.000 0.451 467 I N 0.204 120.790 120.570 0.027 0.000 2.546 467 I HA -0.155 4.015 4.170 0.000 0.000 0.255 467 I C 2.651 178.810 176.117 0.069 0.000 1.163 467 I CA 1.324 62.644 61.300 0.033 0.000 1.457 467 I CB -0.391 37.611 38.000 0.004 0.000 1.092 467 I HN 0.365 nan 8.210 nan 0.000 0.434 468 S N 1.078 116.809 115.700 0.052 0.000 2.336 468 S HA -0.180 4.290 4.470 0.000 0.000 0.214 468 S C 2.003 176.637 174.600 0.057 0.000 1.032 468 S CA 1.342 59.570 58.200 0.046 0.000 1.001 468 S CB -0.135 63.083 63.200 0.030 0.000 0.953 468 S HN 0.331 nan 8.310 nan 0.000 0.430 469 E N 0.519 120.753 120.200 0.056 0.000 2.033 469 E HA -0.251 4.099 4.350 0.000 0.000 0.199 469 E C 1.978 178.613 176.600 0.058 0.000 1.011 469 E CA 1.947 58.376 56.400 0.048 0.000 0.815 469 E CB -1.118 28.610 29.700 0.047 0.000 0.755 469 E HN 0.834 nan 8.360 nan 0.000 0.451 470 H N 1.075 120.148 119.070 0.006 0.000 2.357 470 H HA -0.100 4.456 4.556 0.000 0.000 0.296 470 H C 2.079 177.412 175.328 0.008 0.000 1.108 470 H CA 2.274 58.325 56.048 0.007 0.000 1.273 470 H CB 0.155 29.921 29.762 0.006 0.000 1.367 470 H HN 0.010 nan 8.280 nan 0.000 0.498 471 K N -0.452 120.040 120.400 0.152 0.000 2.097 471 K HA -0.118 4.202 4.320 0.000 0.000 0.206 471 K C 1.714 178.327 176.600 0.022 0.000 1.049 471 K CA 1.337 57.679 56.287 0.093 0.000 0.933 471 K CB 0.120 32.667 32.500 0.079 0.000 0.717 471 K HN 0.434 nan 8.250 nan 0.000 0.442 472 N N 0.430 119.136 118.700 0.010 0.000 2.272 472 N HA -0.033 4.707 4.740 0.000 0.000 0.195 472 N C 1.766 177.254 175.510 -0.036 0.000 1.048 472 N CA 0.893 53.938 53.050 -0.008 0.000 0.912 472 N CB -0.470 38.018 38.487 0.002 0.000 1.096 472 N HN 0.056 nan 8.380 nan 0.000 0.471 473 R N 0.714 121.189 120.500 -0.041 0.000 2.094 473 R HA 0.025 4.365 4.340 0.000 0.000 0.239 473 R C 1.078 177.312 176.300 -0.110 0.000 1.137 473 R CA 1.366 57.431 56.100 -0.058 0.000 0.943 473 R CB -0.446 29.830 30.300 -0.041 0.000 0.850 473 R HN 0.449 nan 8.270 nan 0.000 0.433 474 G N -1.390 107.282 108.800 -0.215 0.000 2.353 474 G HA2 -0.082 3.878 3.960 0.000 0.000 0.424 474 G HA3 -0.082 3.878 3.960 0.000 0.000 0.424 474 G C -0.057 174.518 174.900 -0.542 0.000 1.320 474 G CA -0.366 44.543 45.100 -0.319 0.000 0.995 474 G HN 0.133 nan 8.290 nan 0.000 0.580 475 L N 0.754 121.735 121.223 -0.404 0.000 2.171 475 L HA -0.022 4.318 4.340 0.000 0.000 0.216 475 L C 2.472 179.311 176.870 -0.051 0.000 1.084 475 L CA 3.789 58.506 54.840 -0.205 0.000 0.771 475 L CB -0.657 41.378 42.059 -0.040 0.000 0.890 475 L HN 1.399 nan 8.230 nan 0.000 0.437 476 G N -0.778 107.977 108.800 -0.074 0.000 2.920 476 G HA2 0.080 4.040 3.960 0.000 0.000 0.208 476 G HA3 0.080 4.040 3.960 0.000 0.000 0.208 476 G C 0.728 175.647 174.900 0.032 0.000 1.159 476 G CA -0.155 44.944 45.100 -0.002 0.000 0.784 476 G HN 0.285 nan 8.290 nan 0.000 0.535 477 I N 1.748 122.339 120.570 0.035 0.000 2.396 477 I HA 0.469 4.639 4.170 0.000 0.000 0.289 477 I C 0.863 177.098 176.117 0.196 0.000 1.056 477 I CA -0.234 61.129 61.300 0.105 0.000 1.365 477 I CB 0.374 38.423 38.000 0.082 0.000 1.407 477 I HN 0.041 nan 8.210 nan 0.000 0.509 478 G N 6.604 115.465 108.800 0.103 0.000 2.911 478 G HA2 0.735 4.695 3.960 0.000 0.000 0.299 478 G HA3 0.735 4.695 3.960 0.000 0.000 0.299 478 G C -1.007 173.916 174.900 0.039 0.000 1.283 478 G CA -0.619 44.522 45.100 0.068 0.000 0.805 478 G HN 0.378 nan 8.290 nan 0.000 0.548 479 I N 0.570 121.149 120.570 0.016 0.000 2.493 479 I HA 0.352 4.522 4.170 0.000 0.000 0.298 479 I C -1.254 174.863 176.117 0.000 0.000 0.998 479 I CA -0.638 60.664 61.300 0.003 0.000 1.137 479 I CB 2.176 40.165 38.000 -0.018 0.000 1.310 479 I HN 0.283 nan 8.210 nan 0.000 0.445 480 D N 4.706 125.111 120.400 0.008 0.000 2.453 480 D HA 0.196 4.836 4.640 0.000 0.000 0.238 480 D C 0.847 177.128 176.300 -0.031 0.000 1.088 480 D CA -0.597 53.417 54.000 0.023 0.000 0.854 480 D CB 1.815 42.664 40.800 0.082 0.000 1.076 480 D HN 0.367 nan 8.370 nan 0.000 0.533 481 V N 2.235 122.054 119.914 -0.157 0.000 2.568 481 V HA -0.170 3.950 4.120 0.000 0.000 0.253 481 V C 1.735 177.682 176.094 -0.245 0.000 1.072 481 V CA 1.200 63.347 62.300 -0.256 0.000 1.084 481 V CB -1.121 30.452 31.823 -0.416 0.000 0.676 481 V HN 0.343 nan 8.190 nan 0.000 0.469 482 F N 0.696 120.643 119.950 -0.005 0.000 2.293 482 F HA 0.163 4.690 4.527 0.000 0.000 0.297 482 F C 2.448 178.246 175.800 -0.004 0.000 1.089 482 F CA 1.533 59.529 58.000 -0.006 0.000 1.377 482 F CB -0.459 38.537 39.000 -0.006 0.000 1.051 482 F HN 0.205 nan 8.300 nan 0.000 0.511 483 E N -0.400 119.896 120.200 0.160 0.000 2.190 483 E HA 0.140 4.490 4.350 0.000 0.000 0.191 483 E C 1.958 178.587 176.600 0.048 0.000 0.978 483 E CA 0.917 57.372 56.400 0.092 0.000 0.839 483 E CB -0.316 29.429 29.700 0.075 0.000 0.787 483 E HN 0.260 nan 8.360 nan 0.000 0.473 484 G N 0.737 109.551 108.800 0.024 0.000 2.162 484 G HA2 -0.336 3.624 3.960 0.000 0.000 0.260 484 G HA3 -0.336 3.624 3.960 0.000 0.000 0.260 484 G C 0.122 175.025 174.900 0.005 0.000 0.976 484 G CA 0.979 46.082 45.100 0.004 0.000 0.655 484 G HN 0.410 nan 8.290 nan 0.000 0.533 485 K N -1.607 118.800 120.400 0.012 0.000 2.499 485 K HA 0.741 5.062 4.320 0.000 0.000 0.277 485 K C -3.459 173.151 176.600 0.017 0.000 1.025 485 K CA -2.323 53.972 56.287 0.013 0.000 0.900 485 K CB 1.466 33.976 32.500 0.017 0.000 1.494 485 K HN -0.030 nan 8.250 nan 0.000 0.442 486 P HA 0.303 nan 4.420 nan 0.000 0.274 486 P C -1.323 175.994 177.300 0.030 0.000 1.237 486 P CA -0.287 62.829 63.100 0.027 0.000 0.793 486 P CB 1.139 32.857 31.700 0.030 0.000 0.977 487 A N 0.637 123.478 122.820 0.035 0.000 2.586 487 A HA 0.426 4.746 4.320 0.000 0.000 0.290 487 A C -1.480 176.123 177.584 0.032 0.000 1.086 487 A CA -0.466 51.591 52.037 0.032 0.000 0.665 487 A CB 0.873 19.896 19.000 0.037 0.000 1.279 487 A HN 0.455 nan 8.150 nan 0.000 0.423 488 D N 1.873 122.287 120.400 0.023 0.000 2.393 488 D HA 0.226 4.866 4.640 0.000 0.000 0.232 488 D C 0.948 177.263 176.300 0.024 0.000 1.192 488 D CA -0.408 53.603 54.000 0.018 0.000 0.882 488 D CB 0.566 41.369 40.800 0.006 0.000 1.038 488 D HN 0.377 nan 8.370 nan 0.000 0.499 489 M N 3.290 122.909 119.600 0.032 0.000 2.267 489 M HA -0.166 4.314 4.480 0.000 0.000 0.263 489 M C 1.560 177.876 176.300 0.027 0.000 1.063 489 M CA 0.702 56.023 55.300 0.036 0.000 1.090 489 M CB -0.446 32.179 32.600 0.041 0.000 1.392 489 M HN 0.410 nan 8.290 nan 0.000 0.422 490 L N 0.407 121.642 121.223 0.020 0.000 2.056 490 L HA -0.135 4.205 4.340 0.000 0.000 0.207 490 L C 2.259 179.136 176.870 0.011 0.000 1.078 490 L CA 1.702 56.550 54.840 0.014 0.000 0.749 490 L CB -1.148 40.916 42.059 0.008 0.000 0.901 490 L HN 0.372 nan 8.230 nan 0.000 0.433 491 E N -0.618 119.588 120.200 0.010 0.000 2.268 491 E HA -0.154 4.196 4.350 0.000 0.000 0.195 491 E C 1.390 177.996 176.600 0.010 0.000 0.995 491 E CA 0.527 56.931 56.400 0.008 0.000 0.836 491 E CB 0.018 29.722 29.700 0.007 0.000 0.763 491 E HN 0.354 nan 8.360 nan 0.000 0.491 492 K N -0.351 120.059 120.400 0.017 0.000 2.374 492 K HA 0.090 4.410 4.320 0.000 0.000 0.196 492 K C 1.151 177.762 176.600 0.018 0.000 1.023 492 K CA 0.624 56.923 56.287 0.019 0.000 1.103 492 K CB 0.959 33.479 32.500 0.033 0.000 0.848 492 K HN 0.238 nan 8.250 nan 0.000 0.528 493 G N 2.331 111.141 108.800 0.016 0.000 2.180 493 G HA2 -0.273 3.687 3.960 0.000 0.000 0.263 493 G HA3 -0.273 3.687 3.960 0.000 0.000 0.263 493 G C 0.243 175.157 174.900 0.023 0.000 0.989 493 G CA 0.168 45.276 45.100 0.015 0.000 0.692 493 G HN 0.360 nan 8.290 nan 0.000 0.526 494 I N 1.791 122.381 120.570 0.033 0.000 2.278 494 I HA 0.438 4.608 4.170 0.000 0.000 0.296 494 I C 0.963 177.102 176.117 0.037 0.000 1.121 494 I CA -0.266 61.061 61.300 0.046 0.000 1.267 494 I CB -0.175 37.866 38.000 0.068 0.000 1.447 494 I HN 0.343 nan 8.210 nan 0.000 0.509 495 I N 3.523 124.111 120.570 0.030 0.000 3.264 495 I HA 0.729 4.899 4.170 0.000 0.000 0.315 495 I C -0.951 175.178 176.117 0.020 0.000 1.154 495 I CA -0.800 60.514 61.300 0.024 0.000 0.962 495 I CB 2.459 40.470 38.000 0.018 0.000 1.265 495 I HN 0.438 nan 8.210 nan 0.000 0.463 496 E N 1.111 121.321 120.200 0.017 0.000 2.429 496 E HA 0.598 4.948 4.350 0.000 0.000 0.276 496 E C -3.078 173.528 176.600 0.010 0.000 0.953 496 E CA -2.332 54.076 56.400 0.013 0.000 0.787 496 E CB 1.900 31.607 29.700 0.012 0.000 1.307 496 E HN 0.268 nan 8.360 nan 0.000 0.458 497 P HA -0.066 nan 4.420 nan 0.000 0.265 497 P C 0.715 178.020 177.300 0.008 0.000 1.193 497 P CA -0.332 62.772 63.100 0.007 0.000 0.765 497 P CB 0.504 32.208 31.700 0.006 0.000 0.823 498 L N 4.298 125.526 121.223 0.008 0.000 2.275 498 L HA -0.106 4.234 4.340 0.000 0.000 0.215 498 L C 1.842 178.717 176.870 0.009 0.000 1.119 498 L CA 1.868 56.714 54.840 0.009 0.000 0.790 498 L CB -0.674 41.391 42.059 0.010 0.000 0.919 498 L HN 0.432 nan 8.230 nan 0.000 0.443 499 R N -0.800 119.705 120.500 0.008 0.000 2.119 499 R HA -0.070 4.270 4.340 0.000 0.000 0.222 499 R C 2.116 178.420 176.300 0.007 0.000 1.088 499 R CA 1.113 57.218 56.100 0.009 0.000 0.984 499 R CB 0.017 30.323 30.300 0.010 0.000 0.884 499 R HN 0.291 nan 8.270 nan 0.000 0.447 500 V N 1.736 121.654 119.914 0.006 0.000 2.343 500 V HA -0.245 3.875 4.120 0.000 0.000 0.247 500 V C 2.349 178.443 176.094 0.001 0.000 1.051 500 V CA 1.705 64.007 62.300 0.003 0.000 1.036 500 V CB -0.351 31.474 31.823 0.002 0.000 0.654 500 V HN 0.278 nan 8.190 nan 0.000 0.451 501 K N 0.168 120.570 120.400 0.003 0.000 2.007 501 K HA -0.100 4.220 4.320 0.000 0.000 0.206 501 K C 2.183 178.786 176.600 0.006 0.000 1.047 501 K CA 1.199 57.487 56.287 0.002 0.000 0.937 501 K CB -0.405 32.098 32.500 0.004 0.000 0.718 501 K HN 0.394 nan 8.250 nan 0.000 0.438 502 K N 0.796 121.201 120.400 0.009 0.000 2.113 502 K HA -0.237 4.083 4.320 0.000 0.000 0.208 502 K C 2.219 178.826 176.600 0.013 0.000 1.047 502 K CA 1.580 57.874 56.287 0.011 0.000 0.928 502 K CB -0.018 32.487 32.500 0.009 0.000 0.716 502 K HN 0.044 nan 8.250 nan 0.000 0.446 503 Q N 0.410 120.216 119.800 0.009 0.000 2.187 503 Q HA 0.016 4.357 4.340 0.000 0.000 0.199 503 Q C 1.731 177.735 176.000 0.006 0.000 0.957 503 Q CA 1.409 57.218 55.803 0.009 0.000 0.857 503 Q CB -0.075 28.667 28.738 0.007 0.000 0.929 503 Q HN 0.278 nan 8.270 nan 0.000 0.453 504 A N 0.632 123.452 122.820 -0.000 0.000 1.877 504 A HA -0.143 4.177 4.320 0.000 0.000 0.216 504 A C 1.872 179.450 177.584 -0.009 0.000 1.186 504 A CA 1.517 53.547 52.037 -0.011 0.000 0.620 504 A CB -0.712 18.276 19.000 -0.021 0.000 0.822 504 A HN 0.428 nan 8.150 nan 0.000 0.443 505 I N 0.282 120.855 120.570 0.005 0.000 2.208 505 I HA -0.252 3.919 4.170 0.000 0.000 0.245 505 I C 2.275 178.425 176.117 0.055 0.000 1.097 505 I CA 1.659 62.980 61.300 0.034 0.000 1.363 505 I CB -1.337 36.706 38.000 0.071 0.000 1.051 505 I HN 0.384 nan 8.210 nan 0.000 0.413 506 K N 0.544 120.967 120.400 0.040 0.000 1.985 506 K HA -0.123 4.197 4.320 0.000 0.000 0.210 506 K C 2.320 178.942 176.600 0.036 0.000 1.047 506 K CA 1.814 58.125 56.287 0.040 0.000 0.932 506 K CB -0.311 32.205 32.500 0.027 0.000 0.716 506 K HN 0.159 nan 8.250 nan 0.000 0.439 507 S N 1.002 116.714 115.700 0.021 0.000 2.365 507 S HA -0.226 4.244 4.470 0.000 0.000 0.225 507 S C 2.147 176.755 174.600 0.013 0.000 1.039 507 S CA 1.561 59.770 58.200 0.015 0.000 1.033 507 S CB -0.354 62.849 63.200 0.005 0.000 0.887 507 S HN 0.475 nan 8.310 nan 0.000 0.447 508 A N 1.713 124.531 122.820 -0.003 0.000 1.855 508 A HA -0.096 4.224 4.320 0.000 0.000 0.215 508 A C 2.397 179.981 177.584 -0.000 0.000 1.191 508 A CA 2.099 54.121 52.037 -0.024 0.000 0.613 508 A CB -1.190 17.763 19.000 -0.079 0.000 0.829 508 A HN 0.642 nan 8.150 nan 0.000 0.442 509 S N 0.176 115.895 115.700 0.032 0.000 2.400 509 S HA -0.201 4.269 4.470 0.000 0.000 0.232 509 S C 1.558 176.232 174.600 0.123 0.000 1.025 509 S CA 1.539 59.809 58.200 0.117 0.000 0.993 509 S CB -0.523 62.824 63.200 0.245 0.000 0.808 509 S HN 0.672 nan 8.310 nan 0.000 0.478 510 E N 1.491 121.741 120.200 0.085 0.000 2.158 510 E HA 0.116 4.466 4.350 0.000 0.000 0.191 510 E C 2.422 179.065 176.600 0.071 0.000 0.982 510 E CA 0.789 57.235 56.400 0.077 0.000 0.823 510 E CB -0.322 29.411 29.700 0.055 0.000 0.766 510 E HN 0.709 nan 8.360 nan 0.000 0.468 511 A N 1.813 124.667 122.820 0.057 0.000 1.929 511 A HA 0.004 4.324 4.320 0.000 0.000 0.216 511 A C 2.403 180.029 177.584 0.069 0.000 1.176 511 A CA 1.447 53.513 52.037 0.049 0.000 0.628 511 A CB -0.421 18.597 19.000 0.030 0.000 0.816 511 A HN 0.256 nan 8.150 nan 0.000 0.444 512 A N 0.320 123.194 122.820 0.090 0.000 1.845 512 A HA -0.084 4.236 4.320 0.000 0.000 0.215 512 A C 2.079 179.766 177.584 0.172 0.000 1.195 512 A CA 1.539 53.661 52.037 0.142 0.000 0.616 512 A CB -0.687 18.429 19.000 0.193 0.000 0.832 512 A HN 0.469 nan 8.150 nan 0.000 0.443 513 I N -0.564 120.124 120.570 0.197 0.000 2.361 513 I HA -0.271 3.899 4.170 0.000 0.000 0.251 513 I C 2.670 178.848 176.117 0.102 0.000 1.133 513 I CA 1.649 63.050 61.300 0.169 0.000 1.413 513 I CB -0.315 37.785 38.000 0.168 0.000 1.073 513 I HN 0.484 nan 8.210 nan 0.000 0.424 514 M N 0.598 120.249 119.600 0.085 0.000 2.296 514 M HA -0.150 4.330 4.480 0.000 0.000 0.265 514 M C 2.137 178.470 176.300 0.055 0.000 1.064 514 M CA 1.798 57.134 55.300 0.061 0.000 1.109 514 M CB 0.121 32.752 32.600 0.052 0.000 1.396 514 M HN 0.167 nan 8.290 nan 0.000 0.430 515 I N -0.006 120.600 120.570 0.061 0.000 2.585 515 I HA -0.195 3.975 4.170 0.000 0.000 0.254 515 I C 1.791 177.933 176.117 0.043 0.000 1.129 515 I CA 0.599 61.930 61.300 0.051 0.000 1.455 515 I CB -0.190 37.841 38.000 0.052 0.000 1.111 515 I HN 0.261 nan 8.210 nan 0.000 0.433 516 L N 0.717 121.970 121.223 0.049 0.000 2.633 516 L HA -0.080 4.260 4.340 0.000 0.000 0.235 516 L C 2.089 178.971 176.870 0.020 0.000 1.163 516 L CA 0.776 55.630 54.840 0.024 0.000 0.859 516 L CB -0.447 41.623 42.059 0.017 0.000 0.973 516 L HN 0.241 nan 8.230 nan 0.000 0.451 517 R N -0.661 119.859 120.500 0.033 0.000 2.373 517 R HA 0.288 4.628 4.340 0.000 0.000 0.221 517 R C 0.388 176.705 176.300 0.028 0.000 0.893 517 R CA -0.075 56.044 56.100 0.032 0.000 1.049 517 R CB 0.804 31.128 30.300 0.041 0.000 1.119 517 R HN 0.219 nan 8.270 nan 0.000 0.535 518 I N 3.221 123.809 120.570 0.029 0.000 2.301 518 I HA -0.011 4.159 4.170 0.000 0.000 0.292 518 I C 0.722 176.855 176.117 0.027 0.000 1.046 518 I CA -0.019 61.299 61.300 0.030 0.000 1.282 518 I CB 0.977 38.998 38.000 0.036 0.000 1.409 518 I HN 0.093 nan 8.210 nan 0.000 0.484 519 D N 4.163 124.577 120.400 0.025 0.000 2.369 519 D HA 0.051 4.691 4.640 0.000 0.000 0.211 519 D C -0.161 176.161 176.300 0.036 0.000 1.077 519 D CA 0.083 54.095 54.000 0.021 0.000 0.842 519 D CB 0.502 41.307 40.800 0.007 0.000 0.947 519 D HN 0.455 nan 8.370 nan 0.000 0.509 520 D N -0.334 120.093 120.400 0.046 0.000 2.937 520 D HA 0.276 4.916 4.640 0.000 0.000 0.215 520 D C -1.674 174.668 176.300 0.069 0.000 1.274 520 D CA -0.590 53.444 54.000 0.057 0.000 0.869 520 D CB 2.274 43.095 40.800 0.034 0.000 1.675 520 D HN -0.199 nan 8.370 nan 0.000 0.538 521 V N 4.619 124.600 119.914 0.112 0.000 2.444 521 V HA 0.526 4.646 4.120 0.000 0.000 0.294 521 V C 0.022 176.179 176.094 0.106 0.000 1.022 521 V CA -0.589 61.781 62.300 0.117 0.000 0.850 521 V CB 1.526 33.455 31.823 0.176 0.000 0.992 521 V HN 0.545 nan 8.190 nan 0.000 0.426 522 I N 4.486 125.088 120.570 0.053 0.000 2.437 522 I HA 0.640 4.810 4.170 0.000 0.000 0.279 522 I C 0.243 176.373 176.117 0.022 0.000 1.028 522 I CA -0.385 60.932 61.300 0.028 0.000 1.142 522 I CB 1.537 39.542 38.000 0.008 0.000 1.266 522 I HN 0.678 nan 8.210 nan 0.000 0.461 523 A N 5.260 128.100 122.820 0.033 0.000 2.258 523 A HA 0.855 5.175 4.320 0.000 0.000 0.316 523 A C 0.359 177.951 177.584 0.013 0.000 1.279 523 A CA -0.338 51.711 52.037 0.021 0.000 0.876 523 A CB 0.900 19.920 19.000 0.033 0.000 1.170 523 A HN 0.748 nan 8.150 nan 0.000 0.520 524 A N 2.546 125.368 122.820 0.004 0.000 2.311 524 A HA 0.485 4.805 4.320 0.000 0.000 0.272 524 A C 0.709 178.295 177.584 0.004 0.000 1.438 524 A CA -0.003 52.035 52.037 0.001 0.000 0.819 524 A CB 0.049 19.048 19.000 -0.002 0.000 1.336 524 A HN 0.827 nan 8.150 nan 0.000 0.528 525 K N -0.597 119.804 120.400 0.002 0.000 2.172 525 K HA 0.537 4.858 4.320 0.000 0.000 0.276 525 K C 0.044 176.646 176.600 0.003 0.000 1.013 525 K CA -0.102 56.188 56.287 0.004 0.000 0.913 525 K CB 1.031 33.532 32.500 0.002 0.000 1.055 525 K HN 0.758 nan 8.250 nan 0.000 0.461 526 A N 0.000 122.823 122.820 0.004 0.000 2.254 526 A HA 0.000 4.320 4.320 0.000 0.000 0.244 526 A CA 0.000 52.039 52.037 0.003 0.000 0.836 526 A CB 0.000 19.002 19.000 0.004 0.000 0.831 526 A HN 0.000 nan 8.150 nan 0.000 0.486