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 3el3_1_A DATA FIRST_RESID 22 DATA SEQUENCE REPPVAGGGV PLLGHGWRLA RDPLAFMSQL RDHGDVVRIK LGPKTVYAVT DATA SEQUENCE NPELTGALAL NPDYHIAGPL WESLEGLLGK EGVATANGPL HRRQRRTIQP DATA SEQUENCE AFRLDAIPAY GPIMEEEAHA LTERWQPGKT VDATSESFRV AVRVAARCLL DATA SEQUENCE RGQYMDERAE RLCVALATVF RGXXXXXXXX XXXXXXXXLP ANRRFNDALA DATA SEQUENCE DLHLLVDEII AERRASGQKP DDLLTALLEA XXXXXXXXGE QEIHDQVVAI DATA SEQUENCE LTPGSETIAS TIMWLLQALA DHPEHADRIR DEVEAVTGGR PVAFEDVRKL DATA SEQUENCE RHTGNVIVEA MRLRPAVWVL TRRAVAESEL GGYRIPAGAD IIYSPYAIQR DATA SEQUENCE DPKSYDDNLE FDPDRWLPER AANVPKYAMK PFSAGKRKCP SDHFSMAQLT DATA SEQUENCE LITAALATKY RFEQVAGSND AVRVGITLRP HDLLVRPVAR H 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 22 R HA 0.000 nan 4.340 nan 0.000 0.208 22 R C 0.000 176.269 176.300 -0.052 0.000 0.893 22 R CA 0.000 56.074 56.100 -0.043 0.000 0.921 22 R CB 0.000 30.291 30.300 -0.015 0.000 0.687 23 E N 3.112 123.263 120.200 -0.081 0.000 2.263 23 E HA 0.524 4.868 4.350 -0.009 0.000 0.268 23 E C -2.954 173.679 176.600 0.055 0.000 0.884 23 E CA -2.313 54.045 56.400 -0.070 0.000 0.766 23 E CB 3.039 32.620 29.700 -0.199 0.000 1.196 23 E HN 0.039 nan 8.360 nan 0.000 0.416 24 P HA 0.227 nan 4.420 nan 0.000 0.279 24 P C -2.433 175.058 177.300 0.319 0.000 1.239 24 P CA -1.063 62.172 63.100 0.225 0.000 0.789 24 P CB 0.166 31.968 31.700 0.169 0.000 0.933 25 P HA -0.086 nan 4.420 nan 0.000 0.269 25 P C -0.462 176.946 177.300 0.180 0.000 1.200 25 P CA 0.437 63.711 63.100 0.290 0.000 0.779 25 P CB 0.256 32.076 31.700 0.200 0.000 0.841 26 V N 1.155 121.146 119.914 0.129 0.000 2.785 26 V HA 0.508 4.623 4.120 -0.009 0.000 0.300 26 V C 0.669 176.785 176.094 0.036 0.000 1.062 26 V CA -0.383 61.966 62.300 0.081 0.000 1.029 26 V CB 1.020 32.889 31.823 0.076 0.000 1.024 26 V HN 0.689 nan 8.190 nan 0.000 0.477 27 A N 2.217 125.055 122.820 0.030 0.000 2.269 27 A HA 0.784 5.098 4.320 -0.009 0.000 0.319 27 A C 1.044 178.661 177.584 0.054 0.000 1.110 27 A CA 0.234 52.308 52.037 0.063 0.000 0.847 27 A CB 1.000 20.043 19.000 0.071 0.000 1.161 27 A HN 0.969 nan 8.150 nan 0.000 0.497 28 G N -0.543 108.392 108.800 0.225 0.000 2.724 28 G HA2 0.477 4.431 3.960 -0.009 0.000 0.217 28 G HA3 0.477 4.431 3.960 -0.009 0.000 0.217 28 G C 0.613 175.684 174.900 0.284 0.000 1.251 28 G CA 0.478 45.752 45.100 0.290 0.000 0.867 28 G HN 2.123 nan 8.290 nan 0.000 0.590 29 G N -1.169 107.867 108.800 0.394 0.000 1.968 29 G HA2 0.564 4.518 3.960 -0.009 0.000 0.183 29 G HA3 0.564 4.518 3.960 -0.009 0.000 0.183 29 G C -0.228 174.625 174.900 -0.079 0.000 1.665 29 G CA 0.111 45.266 45.100 0.092 0.000 1.015 29 G HN 1.050 nan 8.290 nan 0.000 0.624 30 G N -0.660 107.973 108.800 -0.279 0.000 3.214 30 G HA2 0.982 4.936 3.960 -0.009 0.000 0.188 30 G HA3 0.982 4.936 3.960 -0.009 0.000 0.188 30 G C -0.400 174.391 174.900 -0.182 0.000 1.126 30 G CA 0.267 45.211 45.100 -0.260 0.000 0.796 30 G HN 1.523 nan 8.290 nan 0.000 0.631 31 V N -0.968 118.847 119.914 -0.165 0.000 3.103 31 V HA 0.551 4.666 4.120 -0.009 0.000 0.318 31 V C -1.707 174.330 176.094 -0.095 0.000 1.114 31 V CA -1.616 60.593 62.300 -0.152 0.000 1.020 31 V CB 1.293 32.984 31.823 -0.220 0.000 1.085 31 V HN 0.490 nan 8.190 nan 0.000 0.446 32 P HA -0.209 nan 4.420 nan 0.000 0.222 32 P C 1.491 178.779 177.300 -0.021 0.000 0.846 32 P CA 1.584 64.656 63.100 -0.047 0.000 1.068 32 P CB -0.073 31.600 31.700 -0.044 0.000 0.669 33 L N -2.191 119.032 121.223 -0.000 0.000 2.353 33 L HA -0.056 4.278 4.340 -0.009 0.000 0.220 33 L C 1.056 177.946 176.870 0.033 0.000 1.133 33 L CA 0.996 55.848 54.840 0.019 0.000 0.798 33 L CB -0.907 41.170 42.059 0.030 0.000 0.922 33 L HN 0.108 nan 8.230 nan 0.000 0.445 34 L N -3.892 117.357 121.223 0.043 0.000 2.511 34 L HA 0.586 4.920 4.340 -0.009 0.000 0.252 34 L C 1.023 177.921 176.870 0.047 0.000 1.542 34 L CA -0.671 54.208 54.840 0.065 0.000 0.822 34 L CB -0.048 42.088 42.059 0.128 0.000 1.050 34 L HN -0.044 nan 8.230 nan 0.000 0.516 35 G N 0.902 109.695 108.800 -0.011 0.000 3.206 35 G HA2 -0.294 3.660 3.960 -0.009 0.000 0.215 35 G HA3 -0.294 3.660 3.960 -0.009 0.000 0.215 35 G C 1.005 175.824 174.900 -0.135 0.000 1.165 35 G CA 1.299 46.333 45.100 -0.111 0.000 0.754 35 G HN 0.721 nan 8.290 nan 0.000 0.999 36 H N 1.151 120.228 119.070 0.011 0.000 2.529 36 H HA 0.006 4.557 4.556 -0.009 0.000 0.277 36 H C 2.825 178.064 175.328 -0.149 0.000 0.999 36 H CA 0.805 56.800 56.048 -0.089 0.000 1.256 36 H CB -0.664 29.027 29.762 -0.118 0.000 1.402 36 H HN 0.462 nan 8.280 nan 0.000 0.566 37 G N 0.852 109.681 108.800 0.048 0.000 2.581 37 G HA2 -0.278 3.677 3.960 -0.009 0.000 0.223 37 G HA3 -0.278 3.677 3.960 -0.009 0.000 0.223 37 G C 1.479 176.403 174.900 0.040 0.000 1.094 37 G CA 0.677 45.791 45.100 0.022 0.000 0.736 37 G HN 0.461 nan 8.290 nan 0.000 0.588 38 W N 0.931 122.168 121.300 -0.104 0.000 2.674 38 W HA 0.113 4.767 4.660 -0.009 0.000 0.298 38 W C 2.534 178.995 176.519 -0.097 0.000 1.115 38 W CA 0.614 57.910 57.345 -0.082 0.000 1.532 38 W CB -0.402 29.024 29.460 -0.057 0.000 1.142 38 W HN 0.156 nan 8.180 nan 0.000 0.528 39 R N 0.565 121.264 120.500 0.331 0.000 2.119 39 R HA -0.264 4.071 4.340 -0.009 0.000 0.246 39 R C 2.182 178.475 176.300 -0.012 0.000 1.146 39 R CA 2.110 58.339 56.100 0.214 0.000 0.962 39 R CB -1.178 29.239 30.300 0.195 0.000 0.863 39 R HN 0.195 nan 8.270 nan 0.000 0.442 40 L N 0.786 121.836 121.223 -0.288 0.000 2.042 40 L HA -0.164 4.171 4.340 -0.009 0.000 0.210 40 L C 2.287 179.096 176.870 -0.102 0.000 1.076 40 L CA 2.069 56.744 54.840 -0.274 0.000 0.749 40 L CB -0.653 41.189 42.059 -0.361 0.000 0.893 40 L HN 0.164 nan 8.230 nan 0.000 0.432 41 A N -0.518 122.213 122.820 -0.148 0.000 1.877 41 A HA -0.251 4.064 4.320 -0.009 0.000 0.216 41 A C 2.549 180.018 177.584 -0.192 0.000 1.186 41 A CA 1.831 53.747 52.037 -0.200 0.000 0.620 41 A CB -0.633 18.146 19.000 -0.367 0.000 0.822 41 A HN 0.500 nan 8.150 nan 0.000 0.443 42 R N -1.317 119.072 120.500 -0.185 0.000 2.115 42 R HA -0.084 4.250 4.340 -0.009 0.000 0.230 42 R C -0.621 175.656 176.300 -0.037 0.000 1.111 42 R CA 1.481 57.515 56.100 -0.109 0.000 0.976 42 R CB 0.220 30.520 30.300 -0.000 0.000 0.870 42 R HN 0.391 nan 8.270 nan 0.000 0.445 43 D N -2.182 118.215 120.400 -0.005 0.000 2.492 43 D HA 0.101 4.735 4.640 -0.009 0.000 0.229 43 D C -2.332 173.999 176.300 0.053 0.000 1.345 43 D CA -1.219 52.785 54.000 0.007 0.000 0.912 43 D CB 1.331 42.149 40.800 0.031 0.000 1.526 43 D HN -0.183 nan 8.370 nan 0.000 0.505 44 P HA -0.119 nan 4.420 nan 0.000 0.213 44 P C 2.003 179.383 177.300 0.133 0.000 1.170 44 P CA 0.930 64.113 63.100 0.140 0.000 0.902 44 P CB 0.319 32.100 31.700 0.135 0.000 0.789 45 L N -1.254 119.856 121.223 -0.188 0.000 2.051 45 L HA -0.267 4.067 4.340 -0.009 0.000 0.214 45 L C 2.440 179.354 176.870 0.074 0.000 1.076 45 L CA 1.946 56.633 54.840 -0.254 0.000 0.758 45 L CB -1.264 40.417 42.059 -0.631 0.000 0.890 45 L HN -0.004 nan 8.230 nan 0.000 0.433 46 A N -0.529 122.343 122.820 0.086 0.000 1.929 46 A HA -0.225 4.090 4.320 -0.009 0.000 0.216 46 A C 2.133 179.808 177.584 0.152 0.000 1.176 46 A CA 1.101 53.213 52.037 0.125 0.000 0.628 46 A CB -0.732 18.331 19.000 0.105 0.000 0.816 46 A HN 0.395 nan 8.150 nan 0.000 0.444 47 F N 0.210 120.203 119.950 0.071 0.000 2.269 47 F HA -0.166 4.355 4.527 -0.009 0.000 0.301 47 F C 2.044 177.887 175.800 0.072 0.000 1.082 47 F CA 1.563 59.607 58.000 0.073 0.000 1.360 47 F CB -0.067 38.992 39.000 0.097 0.000 1.041 47 F HN 0.094 nan 8.300 nan 0.000 0.512 48 M N -0.787 118.880 119.600 0.112 0.000 2.254 48 M HA -0.086 4.389 4.480 -0.009 0.000 0.265 48 M C 2.263 178.559 176.300 -0.006 0.000 1.066 48 M CA 1.069 56.413 55.300 0.073 0.000 1.123 48 M CB -1.520 31.275 32.600 0.325 0.000 1.388 48 M HN 0.033 nan 8.290 nan 0.000 0.425 49 S N 0.568 116.294 115.700 0.044 0.000 2.377 49 S HA -0.095 4.369 4.470 -0.009 0.000 0.223 49 S C 2.434 176.974 174.600 -0.100 0.000 1.030 49 S CA 1.410 59.614 58.200 0.007 0.000 0.970 49 S CB -0.533 62.707 63.200 0.066 0.000 0.830 49 S HN 0.623 nan 8.310 nan 0.000 0.473 50 Q N 1.343 121.048 119.800 -0.159 0.000 2.002 50 Q HA -0.041 4.294 4.340 -0.009 0.000 0.204 50 Q C 2.125 177.874 176.000 -0.419 0.000 0.988 50 Q CA 1.893 57.546 55.803 -0.251 0.000 0.843 50 Q CB -1.435 27.154 28.738 -0.249 0.000 0.908 50 Q HN 0.417 nan 8.270 nan 0.000 0.420 51 L N 0.490 121.368 121.223 -0.576 0.000 2.283 51 L HA -0.235 4.100 4.340 -0.009 0.000 0.217 51 L C 2.535 179.229 176.870 -0.293 0.000 1.104 51 L CA 2.183 56.685 54.840 -0.564 0.000 0.772 51 L CB -0.517 41.195 42.059 -0.579 0.000 0.899 51 L HN 0.488 nan 8.230 nan 0.000 0.439 52 R N -0.256 120.123 120.500 -0.201 0.000 2.105 52 R HA -0.204 4.131 4.340 -0.009 0.000 0.239 52 R C 1.715 177.980 176.300 -0.058 0.000 1.135 52 R CA 1.826 57.868 56.100 -0.098 0.000 0.967 52 R CB -0.240 30.022 30.300 -0.063 0.000 0.861 52 R HN 0.722 nan 8.270 nan 0.000 0.442 53 D N -2.444 117.918 120.400 -0.063 0.000 2.305 53 D HA -0.090 4.544 4.640 -0.009 0.000 0.206 53 D C 1.078 177.440 176.300 0.102 0.000 0.974 53 D CA 0.761 54.769 54.000 0.013 0.000 0.871 53 D CB -0.440 40.371 40.800 0.020 0.000 0.947 53 D HN 0.386 nan 8.370 nan 0.000 0.516 54 H N 0.107 119.155 119.070 -0.037 0.000 2.543 54 H HA 0.192 4.742 4.556 -0.009 0.000 0.286 54 H C 0.738 176.053 175.328 -0.022 0.000 1.037 54 H CA 0.344 56.376 56.048 -0.026 0.000 1.250 54 H CB 0.247 29.983 29.762 -0.044 0.000 1.373 54 H HN 0.338 nan 8.280 nan 0.000 0.580 55 G N -0.689 108.157 108.800 0.076 0.000 2.350 55 G HA2 -0.128 3.827 3.960 -0.009 0.000 0.305 55 G HA3 -0.128 3.827 3.960 -0.009 0.000 0.305 55 G C -0.530 174.329 174.900 -0.067 0.000 1.479 55 G CA -0.449 44.657 45.100 0.010 0.000 0.949 55 G HN 0.027 nan 8.290 nan 0.000 0.651 56 D N -1.300 119.040 120.400 -0.099 0.000 2.178 56 D HA -0.038 4.596 4.640 -0.009 0.000 0.201 56 D C 1.392 177.568 176.300 -0.208 0.000 0.980 56 D CA 2.612 56.544 54.000 -0.112 0.000 0.842 56 D CB 0.291 41.071 40.800 -0.033 0.000 0.948 56 D HN 1.018 nan 8.370 nan 0.000 0.472 57 V N -1.603 118.064 119.914 -0.411 0.000 2.655 57 V HA 0.575 4.689 4.120 -0.009 0.000 0.301 57 V C -0.368 175.532 176.094 -0.324 0.000 1.082 57 V CA -0.993 61.107 62.300 -0.333 0.000 0.899 57 V CB 1.806 33.406 31.823 -0.371 0.000 1.014 57 V HN -0.109 nan 8.190 nan 0.000 0.429 58 V N 2.157 121.994 119.914 -0.128 0.000 3.113 58 V HA 0.781 4.896 4.120 -0.009 0.000 0.316 58 V C -0.330 175.737 176.094 -0.045 0.000 1.125 58 V CA -1.025 61.235 62.300 -0.067 0.000 1.026 58 V CB 2.211 34.027 31.823 -0.011 0.000 1.080 58 V HN 1.180 nan 8.190 nan 0.000 0.444 59 R N 1.414 121.876 120.500 -0.064 0.000 2.589 59 R HA 0.834 5.168 4.340 -0.009 0.000 0.293 59 R C -0.961 175.289 176.300 -0.083 0.000 0.963 59 R CA -0.672 55.317 56.100 -0.185 0.000 0.905 59 R CB 1.722 31.866 30.300 -0.260 0.000 1.144 59 R HN 0.975 nan 8.270 nan 0.000 0.459 60 I N -0.855 119.656 120.570 -0.099 0.000 2.769 60 I HA 0.526 4.690 4.170 -0.009 0.000 0.298 60 I C -1.341 174.867 176.117 0.152 0.000 1.128 60 I CA -1.122 60.161 61.300 -0.028 0.000 1.031 60 I CB 2.588 40.425 38.000 -0.271 0.000 1.235 60 I HN 0.371 nan 8.210 nan 0.000 0.423 61 K N 5.735 126.407 120.400 0.453 0.000 2.394 61 K HA 0.578 4.893 4.320 -0.009 0.000 0.260 61 K C -1.368 175.341 176.600 0.181 0.000 0.967 61 K CA -0.527 55.884 56.287 0.206 0.000 0.855 61 K CB 2.319 34.884 32.500 0.108 0.000 1.101 61 K HN 0.555 nan 8.250 nan 0.000 0.433 62 L N 3.323 124.611 121.223 0.108 0.000 2.314 62 L HA 0.348 4.683 4.340 -0.009 0.000 0.275 62 L C 0.842 177.743 176.870 0.052 0.000 1.068 62 L CA -0.163 54.722 54.840 0.074 0.000 0.894 62 L CB 0.453 42.544 42.059 0.052 0.000 1.275 62 L HN 0.993 nan 8.230 nan 0.000 0.432 63 G N 3.904 112.730 108.800 0.045 0.000 2.553 63 G HA2 -0.255 3.699 3.960 -0.009 0.000 0.242 63 G HA3 -0.255 3.699 3.960 -0.009 0.000 0.242 63 G C -1.896 173.023 174.900 0.031 0.000 1.277 63 G CA -0.289 44.831 45.100 0.034 0.000 0.910 63 G HN 0.475 nan 8.290 nan 0.000 0.576 64 P HA 0.028 nan 4.420 nan 0.000 0.215 64 P C 0.957 178.275 177.300 0.029 0.000 1.153 64 P CA 1.570 64.685 63.100 0.025 0.000 0.853 64 P CB 0.007 31.721 31.700 0.024 0.000 0.788 65 K N -0.487 119.933 120.400 0.034 0.000 2.118 65 K HA 0.354 4.668 4.320 -0.009 0.000 0.264 65 K C 0.043 176.665 176.600 0.036 0.000 1.000 65 K CA -0.288 56.023 56.287 0.039 0.000 0.929 65 K CB 0.744 33.272 32.500 0.046 0.000 1.021 65 K HN 0.002 nan 8.250 nan 0.000 0.463 66 T N -1.029 113.540 114.554 0.024 0.000 2.895 66 T HA 0.562 4.906 4.350 -0.009 0.000 0.283 66 T C -0.137 174.549 174.700 -0.024 0.000 1.014 66 T CA -1.004 61.076 62.100 -0.033 0.000 1.037 66 T CB 1.268 70.064 68.868 -0.121 0.000 1.006 66 T HN 0.391 nan 8.240 nan 0.000 0.468 67 V N -0.266 119.604 119.914 -0.073 0.000 3.126 67 V HA 0.836 4.950 4.120 -0.009 0.000 0.314 67 V C -2.011 174.023 176.094 -0.099 0.000 1.138 67 V CA -1.389 60.945 62.300 0.056 0.000 1.034 67 V CB 1.631 33.509 31.823 0.091 0.000 1.075 67 V HN 0.854 nan 8.190 nan 0.000 0.442 68 Y N 0.807 121.131 120.300 0.040 0.000 2.409 68 Y HA 0.882 5.426 4.550 -0.009 0.000 0.343 68 Y C 0.410 176.313 175.900 0.004 0.000 0.973 68 Y CA -0.227 57.884 58.100 0.018 0.000 1.064 68 Y CB 2.044 40.516 38.460 0.019 0.000 1.207 68 Y HN 1.078 nan 8.280 nan 0.000 0.452 69 A N 2.258 125.145 122.820 0.112 0.000 2.330 69 A HA 0.808 5.122 4.320 -0.009 0.000 0.327 69 A C -1.365 176.232 177.584 0.020 0.000 1.155 69 A CA -0.741 51.331 52.037 0.059 0.000 0.803 69 A CB 0.906 19.912 19.000 0.011 0.000 1.208 69 A HN 0.534 nan 8.150 nan 0.000 0.477 70 V N 2.597 122.523 119.914 0.020 0.000 2.334 70 V HA 0.362 4.476 4.120 -0.009 0.000 0.281 70 V C 1.051 177.136 176.094 -0.015 0.000 1.016 70 V CA 0.387 62.662 62.300 -0.041 0.000 0.832 70 V CB 1.278 33.036 31.823 -0.109 0.000 0.999 70 V HN 1.090 nan 8.190 nan 0.000 0.439 71 T N 0.118 114.649 114.554 -0.039 0.000 3.186 71 T HA 0.185 4.530 4.350 -0.009 0.000 0.257 71 T C 0.422 175.113 174.700 -0.015 0.000 1.029 71 T CA -0.248 61.841 62.100 -0.018 0.000 0.916 71 T CB -0.262 68.581 68.868 -0.040 0.000 1.041 71 T HN 0.470 nan 8.240 nan 0.000 0.562 72 N N 1.406 120.086 118.700 -0.032 0.000 2.407 72 N HA 0.303 5.038 4.740 -0.009 0.000 0.277 72 N C -2.369 173.123 175.510 -0.030 0.000 0.995 72 N CA -2.022 51.014 53.050 -0.023 0.000 0.903 72 N CB 2.625 41.097 38.487 -0.026 0.000 1.218 72 N HN -0.172 nan 8.380 nan 0.000 0.487 73 P HA -0.225 nan 4.420 nan 0.000 0.218 73 P C 0.566 177.869 177.300 0.005 0.000 1.165 73 P CA 1.920 65.040 63.100 0.033 0.000 0.922 73 P CB 0.370 32.105 31.700 0.058 0.000 0.794 74 E N -0.900 119.304 120.200 0.007 0.000 2.033 74 E HA -0.203 4.142 4.350 -0.009 0.000 0.199 74 E C 1.940 178.470 176.600 -0.116 0.000 1.011 74 E CA 1.210 57.600 56.400 -0.017 0.000 0.815 74 E CB -0.983 28.716 29.700 -0.001 0.000 0.755 74 E HN 0.102 nan 8.360 nan 0.000 0.451 75 L N 1.097 122.255 121.223 -0.109 0.000 2.079 75 L HA -0.175 4.159 4.340 -0.009 0.000 0.210 75 L C 2.697 179.403 176.870 -0.274 0.000 1.081 75 L CA 2.157 56.904 54.840 -0.154 0.000 0.752 75 L CB -1.269 40.723 42.059 -0.112 0.000 0.896 75 L HN 0.344 nan 8.230 nan 0.000 0.433 76 T N -4.279 110.092 114.554 -0.304 0.000 2.915 76 T HA -0.057 4.288 4.350 -0.009 0.000 0.269 76 T C 1.930 176.297 174.700 -0.556 0.000 1.071 76 T CA 0.940 62.719 62.100 -0.536 0.000 1.132 76 T CB -0.742 67.828 68.868 -0.497 0.000 0.878 76 T HN 0.344 nan 8.240 nan 0.000 0.479 77 G N 0.928 109.441 108.800 -0.479 0.000 2.426 77 G HA2 0.282 4.236 3.960 -0.009 0.000 0.214 77 G HA3 0.282 4.236 3.960 -0.009 0.000 0.214 77 G C 1.859 176.371 174.900 -0.646 0.000 1.156 77 G CA 0.514 45.115 45.100 -0.830 0.000 0.802 77 G HN 0.657 nan 8.290 nan 0.000 0.534 78 A N 1.047 123.602 122.820 -0.442 0.000 1.859 78 A HA -0.053 4.261 4.320 -0.009 0.000 0.217 78 A C 2.373 179.785 177.584 -0.287 0.000 1.198 78 A CA 1.541 53.408 52.037 -0.283 0.000 0.629 78 A CB -0.842 18.047 19.000 -0.185 0.000 0.830 78 A HN 0.338 nan 8.150 nan 0.000 0.446 79 L N -1.099 119.893 121.223 -0.384 0.000 2.054 79 L HA -0.343 3.992 4.340 -0.009 0.000 0.220 79 L C 2.884 179.498 176.870 -0.426 0.000 1.081 79 L CA 1.824 56.343 54.840 -0.535 0.000 0.780 79 L CB -0.299 41.376 42.059 -0.640 0.000 0.893 79 L HN 0.499 nan 8.230 nan 0.000 0.438 80 A N -1.110 121.493 122.820 -0.361 0.000 1.903 80 A HA -0.031 4.284 4.320 -0.009 0.000 0.213 80 A C 1.974 179.482 177.584 -0.127 0.000 1.185 80 A CA 0.675 52.588 52.037 -0.206 0.000 0.628 80 A CB -0.416 18.483 19.000 -0.168 0.000 0.830 80 A HN 0.425 nan 8.150 nan 0.000 0.446 81 L N 0.440 121.559 121.223 -0.173 0.000 2.610 81 L HA 0.017 4.351 4.340 -0.009 0.000 0.232 81 L C 0.527 177.370 176.870 -0.045 0.000 1.149 81 L CA -0.024 54.753 54.840 -0.106 0.000 0.872 81 L CB -0.329 41.637 42.059 -0.155 0.000 0.992 81 L HN 0.331 nan 8.230 nan 0.000 0.447 82 N N 0.685 119.385 118.700 0.000 0.000 2.426 82 N HA 0.157 4.891 4.740 -0.009 0.000 0.257 82 N C -1.976 173.600 175.510 0.110 0.000 1.002 82 N CA -1.621 51.482 53.050 0.088 0.000 0.942 82 N CB 1.873 40.506 38.487 0.243 0.000 1.112 82 N HN -0.176 nan 8.380 nan 0.000 0.499 83 P HA 0.052 nan 4.420 nan 0.000 0.239 83 P C 0.127 177.394 177.300 -0.056 0.000 1.184 83 P CA 0.576 63.667 63.100 -0.016 0.000 0.760 83 P CB 0.386 32.064 31.700 -0.037 0.000 0.884 84 D N -1.692 118.638 120.400 -0.116 0.000 2.336 84 D HA -0.011 4.623 4.640 -0.009 0.000 0.229 84 D C -0.320 175.665 176.300 -0.526 0.000 1.061 84 D CA 0.553 54.355 54.000 -0.331 0.000 0.875 84 D CB -0.051 40.463 40.800 -0.476 0.000 0.904 84 D HN 0.272 nan 8.370 nan 0.000 0.525 85 Y N 0.138 120.417 120.300 -0.035 0.000 2.555 85 Y HA 0.223 4.768 4.550 -0.010 0.000 0.326 85 Y C 0.414 176.325 175.900 0.019 0.000 0.984 85 Y CA -0.848 57.244 58.100 -0.014 0.000 1.298 85 Y CB 0.454 38.892 38.460 -0.037 0.000 1.094 85 Y HN -0.084 nan 8.280 nan 0.000 0.500 86 H N 2.118 121.205 119.070 0.029 0.000 2.671 86 H HA 0.309 4.860 4.556 -0.009 0.000 0.372 86 H C -0.298 175.028 175.328 -0.004 0.000 1.227 86 H CA -0.410 55.636 56.048 -0.004 0.000 1.426 86 H CB 0.956 30.708 29.762 -0.017 0.000 1.480 86 H HN 0.523 nan 8.280 nan 0.000 0.611 87 I N 3.670 124.453 120.570 0.355 0.000 3.207 87 I HA 0.197 4.362 4.170 -0.009 0.000 0.343 87 I C 1.195 177.297 176.117 -0.026 0.000 1.378 87 I CA 0.205 61.526 61.300 0.036 0.000 1.004 87 I CB 0.175 38.073 38.000 -0.170 0.000 1.836 87 I HN 0.600 nan 8.210 nan 0.000 0.513 88 A N 1.564 124.376 122.820 -0.015 0.000 1.929 88 A HA 0.265 4.579 4.320 -0.009 0.000 0.216 88 A C 1.841 179.506 177.584 0.135 0.000 1.176 88 A CA 0.699 52.760 52.037 0.039 0.000 0.628 88 A CB -0.944 18.032 19.000 -0.041 0.000 0.816 88 A HN 0.691 nan 8.150 nan 0.000 0.444 89 G N 0.908 109.749 108.800 0.068 0.000 2.186 89 G HA2 -0.201 3.753 3.960 -0.009 0.000 0.229 89 G HA3 -0.201 3.753 3.960 -0.009 0.000 0.229 89 G C -0.639 174.359 174.900 0.162 0.000 0.553 89 G CA 0.091 45.242 45.100 0.084 0.000 1.032 89 G HN 0.431 nan 8.290 nan 0.000 0.354 90 P HA -0.237 nan 4.420 nan 0.000 0.225 90 P C 1.129 178.484 177.300 0.092 0.000 1.154 90 P CA 1.459 64.619 63.100 0.099 0.000 0.885 90 P CB 0.080 31.829 31.700 0.082 0.000 0.785 91 L N -3.922 117.362 121.223 0.101 0.000 3.073 91 L HA 0.315 4.649 4.340 -0.009 0.000 0.242 91 L C 1.455 178.394 176.870 0.114 0.000 1.317 91 L CA -0.264 54.616 54.840 0.068 0.000 1.081 91 L CB -0.374 41.709 42.059 0.040 0.000 1.456 91 L HN 0.068 nan 8.230 nan 0.000 0.525 92 W N -0.522 120.746 121.300 -0.053 0.000 4.862 92 W HA 0.078 4.733 4.660 -0.010 0.000 0.164 92 W C 1.764 178.255 176.519 -0.046 0.000 1.072 92 W CA -0.007 57.301 57.345 -0.062 0.000 1.730 92 W CB 0.618 30.042 29.460 -0.060 0.000 0.542 92 W HN -0.010 nan 8.180 nan 0.000 1.046 93 E N 0.389 120.769 120.200 0.299 0.000 2.482 93 E HA -0.046 4.298 4.350 -0.009 0.000 0.196 93 E C 1.366 177.968 176.600 0.002 0.000 1.047 93 E CA 0.823 57.321 56.400 0.163 0.000 0.869 93 E CB 0.231 30.071 29.700 0.234 0.000 0.836 93 E HN 0.128 nan 8.360 nan 0.000 0.520 94 S N -0.343 115.346 115.700 -0.017 0.000 2.428 94 S HA -0.102 4.363 4.470 -0.009 0.000 0.230 94 S C 1.958 176.500 174.600 -0.097 0.000 1.014 94 S CA 1.049 59.227 58.200 -0.037 0.000 0.957 94 S CB 0.138 63.324 63.200 -0.024 0.000 0.784 94 S HN 0.408 nan 8.310 nan 0.000 0.499 95 L N 0.500 121.611 121.223 -0.188 0.000 2.470 95 L HA 0.543 4.877 4.340 -0.009 0.000 0.219 95 L C 2.271 178.945 176.870 -0.327 0.000 1.071 95 L CA 1.316 55.994 54.840 -0.270 0.000 0.850 95 L CB -1.860 39.971 42.059 -0.381 0.000 1.040 95 L HN 0.497 nan 8.230 nan 0.000 0.475 96 E N 0.218 120.183 120.200 -0.391 0.000 2.285 96 E HA 0.121 4.465 4.350 -0.009 0.000 0.194 96 E C 2.395 178.925 176.600 -0.118 0.000 0.997 96 E CA 1.171 57.355 56.400 -0.360 0.000 0.845 96 E CB -0.924 28.539 29.700 -0.395 0.000 0.782 96 E HN 0.753 nan 8.360 nan 0.000 0.491 97 G N -0.165 108.590 108.800 -0.075 0.000 2.448 97 G HA2 0.168 4.123 3.960 -0.009 0.000 0.218 97 G HA3 0.168 4.123 3.960 -0.009 0.000 0.218 97 G C 1.790 176.668 174.900 -0.036 0.000 1.135 97 G CA 1.587 46.670 45.100 -0.028 0.000 0.784 97 G HN 0.977 nan 8.290 nan 0.000 0.543 98 L N 0.017 121.201 121.223 -0.065 0.000 2.298 98 L HA 0.646 4.980 4.340 -0.009 0.000 0.209 98 L C 3.127 179.968 176.870 -0.048 0.000 1.084 98 L CA 1.450 56.261 54.840 -0.049 0.000 0.816 98 L CB -1.494 40.531 42.059 -0.057 0.000 0.967 98 L HN 0.459 nan 8.230 nan 0.000 0.460 99 L N 0.020 121.183 121.223 -0.099 0.000 2.642 99 L HA 0.396 4.730 4.340 -0.009 0.000 0.236 99 L C 2.058 178.921 176.870 -0.011 0.000 1.169 99 L CA 1.527 56.318 54.840 -0.081 0.000 0.851 99 L CB -2.070 39.875 42.059 -0.191 0.000 0.968 99 L HN 0.658 nan 8.230 nan 0.000 0.453 100 G N -2.000 106.794 108.800 -0.010 0.000 3.562 100 G HA2 0.503 4.458 3.960 -0.009 0.000 0.279 100 G HA3 0.503 4.458 3.960 -0.009 0.000 0.279 100 G C 0.868 175.772 174.900 0.007 0.000 1.314 100 G CA 1.142 46.249 45.100 0.012 0.000 1.189 100 G HN 1.096 nan 8.290 nan 0.000 0.562 101 K N -2.246 118.163 120.400 0.015 0.000 1.520 101 K HA 0.331 4.645 4.320 -0.009 0.000 0.095 101 K C 1.673 178.301 176.600 0.047 0.000 2.416 101 K CA 1.397 57.687 56.287 0.006 0.000 1.084 101 K CB -0.855 31.639 32.500 -0.010 0.000 2.691 101 K HN 0.486 nan 8.250 nan 0.000 0.366 102 E N 0.651 120.884 120.200 0.056 0.000 2.072 102 E HA 0.369 4.713 4.350 -0.009 0.000 0.191 102 E C 2.025 178.739 176.600 0.191 0.000 0.985 102 E CA 2.563 59.031 56.400 0.114 0.000 0.801 102 E CB -0.328 29.413 29.700 0.069 0.000 0.750 102 E HN 1.324 nan 8.360 nan 0.000 0.452 103 G N -1.417 107.467 108.800 0.140 0.000 3.193 103 G HA2 0.244 4.198 3.960 -0.009 0.000 0.186 103 G HA3 0.244 4.198 3.960 -0.009 0.000 0.186 103 G C 1.423 176.428 174.900 0.174 0.000 1.536 103 G CA 0.527 45.738 45.100 0.185 0.000 0.943 103 G HN 0.408 nan 8.290 nan 0.000 0.781 104 V N 1.674 121.660 119.914 0.121 0.000 2.353 104 V HA 0.078 4.192 4.120 -0.009 0.000 0.260 104 V C 1.702 177.876 176.094 0.134 0.000 1.091 104 V CA 2.946 65.322 62.300 0.126 0.000 1.088 104 V CB -1.521 30.369 31.823 0.111 0.000 0.672 104 V HN 2.170 nan 8.190 nan 0.000 0.455 105 A N -2.169 120.715 122.820 0.107 0.000 5.972 105 A HA -0.103 4.212 4.320 -0.009 0.000 0.209 105 A C 0.236 177.863 177.584 0.071 0.000 2.519 105 A CA -0.032 52.056 52.037 0.085 0.000 0.685 105 A CB -1.725 17.340 19.000 0.107 0.000 0.777 105 A HN 0.478 nan 8.150 nan 0.000 0.326 106 T N 1.537 116.128 114.554 0.062 0.000 2.758 106 T HA 0.565 4.909 4.350 -0.009 0.000 0.281 106 T C 1.023 175.778 174.700 0.092 0.000 0.963 106 T CA 2.178 64.317 62.100 0.064 0.000 1.201 106 T CB -0.816 68.084 68.868 0.054 0.000 0.906 106 T HN 2.615 nan 8.240 nan 0.000 0.528 107 A N 3.513 126.391 122.820 0.098 0.000 5.625 107 A HA 0.002 4.317 4.320 -0.009 0.000 0.245 107 A C 0.222 177.915 177.584 0.181 0.000 2.306 107 A CA 0.298 52.417 52.037 0.137 0.000 0.708 107 A CB -1.352 17.734 19.000 0.142 0.000 0.971 107 A HN 1.294 nan 8.150 nan 0.000 0.335 108 N N -0.877 117.941 118.700 0.197 0.000 6.152 108 N HA 0.433 5.168 4.740 -0.009 0.000 0.132 108 N C 0.022 175.628 175.510 0.160 0.000 0.982 108 N CA 1.136 54.313 53.050 0.211 0.000 1.136 108 N CB -0.161 38.539 38.487 0.356 0.000 1.445 108 N HN 2.793 nan 8.380 nan 0.000 0.939 109 G N 3.689 112.542 108.800 0.089 0.000 2.020 109 G HA2 -0.209 3.745 3.960 -0.009 0.000 0.237 109 G HA3 -0.209 3.745 3.960 -0.009 0.000 0.237 109 G C -1.511 173.389 174.900 -0.001 0.000 0.652 109 G CA 0.477 45.571 45.100 -0.009 0.000 1.014 109 G HN 0.632 nan 8.290 nan 0.000 0.383 110 P HA 0.131 nan 4.420 nan 0.000 0.251 110 P C 1.326 178.463 177.300 -0.272 0.000 1.289 110 P CA -0.033 63.218 63.100 0.253 0.000 0.676 110 P CB 0.721 32.545 31.700 0.207 0.000 1.294 111 L N -1.442 119.646 121.223 -0.226 0.000 2.731 111 L HA 0.197 4.532 4.340 -0.009 0.000 0.199 111 L C 2.317 178.921 176.870 -0.444 0.000 1.976 111 L CA 0.319 54.961 54.840 -0.330 0.000 2.802 111 L CB -0.826 41.143 42.059 -0.150 0.000 2.882 111 L HN 0.688 nan 8.230 nan 0.000 0.651 112 H N -0.129 118.926 119.070 -0.025 0.000 5.308 112 H HA -0.451 4.100 4.556 -0.010 0.000 0.061 112 H C 1.310 176.631 175.328 -0.011 0.000 0.519 112 H CA 3.240 59.283 56.048 -0.007 0.000 1.042 112 H CB -0.981 28.788 29.762 0.011 0.000 0.604 112 H HN 0.676 nan 8.280 nan 0.000 0.749 113 R N -0.145 120.176 120.500 -0.298 0.000 1.215 113 R HA -0.452 3.883 4.340 -0.009 0.000 0.022 113 R C 3.045 179.488 176.300 0.240 0.000 0.960 113 R CA 5.243 61.302 56.100 -0.069 0.000 1.900 113 R CB -2.870 27.395 30.300 -0.060 0.000 0.218 113 R HN 1.942 nan 8.270 nan 0.000 0.703 114 R N -0.843 119.769 120.500 0.187 0.000 2.343 114 R HA -0.377 3.957 4.340 -0.009 0.000 0.192 114 R C 2.375 178.754 176.300 0.133 0.000 0.995 114 R CA 3.430 59.614 56.100 0.141 0.000 0.377 114 R CB -2.211 28.160 30.300 0.118 0.000 0.707 114 R HN 1.185 nan 8.270 nan 0.000 0.254 115 Q N 0.795 120.689 119.800 0.156 0.000 2.486 115 Q HA 0.038 4.373 4.340 -0.009 0.000 0.211 115 Q C 0.552 176.634 176.000 0.136 0.000 0.949 115 Q CA 0.488 56.346 55.803 0.092 0.000 0.998 115 Q CB 0.286 29.027 28.738 0.006 0.000 1.004 115 Q HN 0.497 nan 8.270 nan 0.000 0.531 116 R N -1.083 119.500 120.500 0.138 0.000 2.549 116 R HA 0.114 4.448 4.340 -0.009 0.000 0.399 116 R C 1.006 177.357 176.300 0.084 0.000 0.964 116 R CA -0.073 56.093 56.100 0.111 0.000 1.173 116 R CB 0.217 30.578 30.300 0.100 0.000 1.535 116 R HN 0.112 nan 8.270 nan 0.000 0.551 117 R N 0.963 121.508 120.500 0.074 0.000 2.246 117 R HA 0.022 4.357 4.340 -0.009 0.000 0.199 117 R C 0.546 176.887 176.300 0.069 0.000 0.984 117 R CA 1.093 57.231 56.100 0.064 0.000 1.015 117 R CB 0.147 30.477 30.300 0.050 0.000 0.930 117 R HN -0.085 nan 8.270 nan 0.000 0.475 118 T N 1.615 116.209 114.554 0.066 0.000 2.714 118 T HA -0.200 4.145 4.350 -0.009 0.000 0.268 118 T C 1.759 176.499 174.700 0.067 0.000 1.036 118 T CA 1.752 63.886 62.100 0.057 0.000 1.148 118 T CB -0.162 68.739 68.868 0.055 0.000 0.856 118 T HN 0.260 nan 8.240 nan 0.000 0.462 119 I N 0.644 121.277 120.570 0.104 0.000 2.252 119 I HA -0.181 3.984 4.170 -0.009 0.000 0.245 119 I C 2.830 179.070 176.117 0.206 0.000 1.102 119 I CA 1.157 62.558 61.300 0.168 0.000 1.385 119 I CB -0.486 37.651 38.000 0.230 0.000 1.064 119 I HN 0.261 nan 8.210 nan 0.000 0.414 120 Q N 0.658 120.559 119.800 0.169 0.000 2.082 120 Q HA -0.242 4.092 4.340 -0.009 0.000 0.211 120 Q C -0.415 175.661 176.000 0.126 0.000 1.002 120 Q CA 2.322 58.224 55.803 0.166 0.000 0.868 120 Q CB -1.224 27.578 28.738 0.107 0.000 0.931 120 Q HN 0.408 nan 8.270 nan 0.000 0.414 121 P HA -0.181 nan 4.420 nan 0.000 0.218 121 P C 0.427 177.710 177.300 -0.029 0.000 1.146 121 P CA 1.843 64.951 63.100 0.014 0.000 0.813 121 P CB -0.017 31.683 31.700 -0.001 0.000 0.778 122 A N -2.474 120.303 122.820 -0.072 0.000 2.021 122 A HA 0.037 4.352 4.320 -0.009 0.000 0.216 122 A C 1.542 178.933 177.584 -0.321 0.000 1.163 122 A CA 0.852 52.755 52.037 -0.223 0.000 0.676 122 A CB -1.162 17.611 19.000 -0.379 0.000 0.818 122 A HN 0.143 nan 8.150 nan 0.000 0.453 123 F N -0.164 119.827 119.950 0.068 0.000 2.704 123 F HA 0.244 4.767 4.527 -0.007 0.000 0.304 123 F C 1.329 177.237 175.800 0.179 0.000 1.094 123 F CA -0.479 57.587 58.000 0.110 0.000 1.275 123 F CB 0.232 39.278 39.000 0.076 0.000 1.073 123 F HN -0.032 nan 8.300 nan 0.000 0.586 124 R N 0.483 121.134 120.500 0.252 0.000 2.971 124 R HA -0.010 4.324 4.340 -0.009 0.000 0.278 124 R C 1.022 177.388 176.300 0.111 0.000 1.022 124 R CA -0.135 56.086 56.100 0.201 0.000 1.187 124 R CB 0.130 30.480 30.300 0.083 0.000 1.126 124 R HN 0.109 nan 8.270 nan 0.000 0.510 125 L N 0.917 122.078 121.223 -0.102 0.000 2.376 125 L HA -0.133 4.201 4.340 -0.009 0.000 0.219 125 L C 1.713 178.530 176.870 -0.089 0.000 1.133 125 L CA 1.406 56.100 54.840 -0.243 0.000 0.816 125 L CB -0.590 41.219 42.059 -0.416 0.000 0.933 125 L HN 0.640 nan 8.230 nan 0.000 0.449 126 D N -0.081 120.271 120.400 -0.080 0.000 2.213 126 D HA -0.035 4.600 4.640 -0.009 0.000 0.205 126 D C 1.772 177.969 176.300 -0.172 0.000 0.961 126 D CA 1.143 55.082 54.000 -0.101 0.000 0.853 126 D CB 0.158 40.912 40.800 -0.077 0.000 0.967 126 D HN 0.346 nan 8.370 nan 0.000 0.496 127 A N 0.969 123.673 122.820 -0.193 0.000 2.387 127 A HA 0.269 4.583 4.320 -0.009 0.000 0.234 127 A C 2.109 179.274 177.584 -0.698 0.000 1.253 127 A CA -0.347 51.452 52.037 -0.396 0.000 0.894 127 A CB -0.594 18.219 19.000 -0.312 0.000 0.963 127 A HN 0.354 nan 8.150 nan 0.000 0.508 128 I N -3.308 117.075 120.570 -0.311 0.000 2.585 128 I HA 0.123 4.287 4.170 -0.009 0.000 0.254 128 I C -1.104 174.775 176.117 -0.397 0.000 1.129 128 I CA 0.237 61.484 61.300 -0.087 0.000 1.455 128 I CB -1.262 36.952 38.000 0.357 0.000 1.111 128 I HN -0.063 nan 8.210 nan 0.000 0.433 129 P HA -0.051 nan 4.420 nan 0.000 0.228 129 P C 1.338 178.242 177.300 -0.661 0.000 1.151 129 P CA 1.639 63.960 63.100 -1.299 0.000 0.770 129 P CB 0.026 31.170 31.700 -0.927 0.000 0.786 130 A N -2.321 120.194 122.820 -0.510 0.000 2.132 130 A HA -0.014 4.300 4.320 -0.009 0.000 0.213 130 A C 1.589 179.075 177.584 -0.163 0.000 1.154 130 A CA 0.551 52.384 52.037 -0.340 0.000 0.753 130 A CB -1.147 17.629 19.000 -0.372 0.000 0.826 130 A HN 0.212 nan 8.150 nan 0.000 0.469 131 Y N -0.780 119.474 120.300 -0.076 0.000 2.503 131 Y HA 0.078 4.623 4.550 -0.007 0.000 0.278 131 Y C 2.618 178.546 175.900 0.046 0.000 1.111 131 Y CA -0.123 57.999 58.100 0.036 0.000 1.270 131 Y CB -0.190 38.374 38.460 0.173 0.000 1.063 131 Y HN 0.382 nan 8.280 nan 0.000 0.548 132 G N 2.177 111.032 108.800 0.093 0.000 2.624 132 G HA2 -0.300 3.654 3.960 -0.009 0.000 0.221 132 G HA3 -0.300 3.654 3.960 -0.009 0.000 0.221 132 G C -0.879 174.097 174.900 0.127 0.000 1.169 132 G CA 1.335 46.508 45.100 0.123 0.000 0.771 132 G HN 0.290 nan 8.290 nan 0.000 0.598 133 P HA -0.096 nan 4.420 nan 0.000 0.213 133 P C 2.059 179.408 177.300 0.081 0.000 1.170 133 P CA 1.147 64.292 63.100 0.075 0.000 0.902 133 P CB -0.196 31.535 31.700 0.052 0.000 0.789 134 I N -2.165 118.462 120.570 0.094 0.000 2.248 134 I HA -0.280 3.885 4.170 -0.009 0.000 0.248 134 I C 2.450 178.603 176.117 0.060 0.000 1.107 134 I CA 1.638 62.985 61.300 0.078 0.000 1.373 134 I CB -0.755 37.307 38.000 0.104 0.000 1.055 134 I HN -0.025 nan 8.210 nan 0.000 0.418 135 M N 0.475 120.130 119.600 0.091 0.000 2.067 135 M HA -0.208 4.267 4.480 -0.009 0.000 0.260 135 M C 2.278 178.576 176.300 -0.003 0.000 1.069 135 M CA 1.995 57.326 55.300 0.051 0.000 1.117 135 M CB -0.629 32.035 32.600 0.108 0.000 1.334 135 M HN 0.203 nan 8.290 nan 0.000 0.407 136 E N 0.290 120.508 120.200 0.031 0.000 2.070 136 E HA -0.268 4.076 4.350 -0.009 0.000 0.197 136 E C 1.861 178.452 176.600 -0.015 0.000 1.004 136 E CA 1.710 58.107 56.400 -0.005 0.000 0.805 136 E CB -0.328 29.438 29.700 0.109 0.000 0.744 136 E HN 0.526 nan 8.360 nan 0.000 0.451 137 E N 0.619 120.840 120.200 0.035 0.000 2.118 137 E HA -0.248 4.096 4.350 -0.009 0.000 0.195 137 E C 1.864 178.446 176.600 -0.029 0.000 0.992 137 E CA 0.942 57.358 56.400 0.027 0.000 0.804 137 E CB 0.160 29.869 29.700 0.016 0.000 0.741 137 E HN 0.139 nan 8.360 nan 0.000 0.458 138 E N 0.152 120.317 120.200 -0.059 0.000 2.152 138 E HA -0.101 4.243 4.350 -0.009 0.000 0.192 138 E C 1.740 178.254 176.600 -0.143 0.000 0.983 138 E CA 0.848 57.192 56.400 -0.093 0.000 0.818 138 E CB -0.116 29.534 29.700 -0.085 0.000 0.758 138 E HN 0.360 nan 8.360 nan 0.000 0.467 139 A N 1.588 124.299 122.820 -0.182 0.000 1.819 139 A HA -0.177 4.137 4.320 -0.009 0.000 0.215 139 A C 1.918 179.353 177.584 -0.248 0.000 1.226 139 A CA 1.364 53.240 52.037 -0.268 0.000 0.608 139 A CB -1.104 17.675 19.000 -0.368 0.000 0.877 139 A HN 0.253 nan 8.150 nan 0.000 0.452 140 H N 0.062 119.079 119.070 -0.089 0.000 2.437 140 H HA -0.186 4.364 4.556 -0.010 0.000 0.296 140 H C 2.422 177.686 175.328 -0.105 0.000 1.121 140 H CA 1.518 57.513 56.048 -0.088 0.000 1.255 140 H CB -0.801 28.927 29.762 -0.058 0.000 1.366 140 H HN 0.527 nan 8.280 nan 0.000 0.512 141 A N 0.992 123.803 122.820 -0.015 0.000 1.858 141 A HA -0.146 4.168 4.320 -0.009 0.000 0.216 141 A C 2.592 180.097 177.584 -0.131 0.000 1.190 141 A CA 1.347 53.349 52.037 -0.058 0.000 0.617 141 A CB -0.831 18.123 19.000 -0.076 0.000 0.827 141 A HN 0.219 nan 8.150 nan 0.000 0.443 142 L N -0.188 120.890 121.223 -0.241 0.000 1.997 142 L HA -0.222 4.113 4.340 -0.009 0.000 0.216 142 L C 2.727 179.380 176.870 -0.362 0.000 1.074 142 L CA 2.536 57.093 54.840 -0.472 0.000 0.763 142 L CB -1.253 40.373 42.059 -0.721 0.000 0.890 142 L HN 0.410 nan 8.230 nan 0.000 0.434 143 T N -0.949 113.483 114.554 -0.203 0.000 2.751 143 T HA -0.261 4.084 4.350 -0.009 0.000 0.268 143 T C 1.625 176.337 174.700 0.019 0.000 1.045 143 T CA 1.916 63.976 62.100 -0.066 0.000 1.142 143 T CB -0.211 68.637 68.868 -0.033 0.000 0.851 143 T HN 0.505 nan 8.240 nan 0.000 0.474 144 E N -0.530 119.675 120.200 0.007 0.000 2.415 144 E HA 0.142 4.486 4.350 -0.009 0.000 0.197 144 E C 2.288 178.936 176.600 0.079 0.000 1.007 144 E CA -0.035 56.395 56.400 0.051 0.000 0.890 144 E CB 0.129 29.841 29.700 0.021 0.000 0.891 144 E HN 0.278 nan 8.360 nan 0.000 0.496 145 R N 0.280 120.797 120.500 0.028 0.000 2.062 145 R HA -0.056 4.278 4.340 -0.009 0.000 0.229 145 R C 0.011 176.460 176.300 0.249 0.000 1.128 145 R CA 0.857 56.992 56.100 0.058 0.000 0.960 145 R CB 0.221 30.471 30.300 -0.084 0.000 0.855 145 R HN 0.002 nan 8.270 nan 0.000 0.432 146 W N 1.748 123.140 121.300 0.154 0.000 2.322 146 W HA 0.327 4.983 4.660 -0.008 0.000 0.307 146 W C -0.326 176.310 176.519 0.195 0.000 1.220 146 W CA -0.651 56.795 57.345 0.167 0.000 1.210 146 W CB 0.704 30.314 29.460 0.250 0.000 1.223 146 W HN 0.159 nan 8.180 nan 0.000 0.511 147 Q N 3.021 122.979 119.800 0.264 0.000 2.377 147 Q HA 0.407 4.741 4.340 -0.009 0.000 0.271 147 Q C -2.231 173.692 176.000 -0.128 0.000 1.077 147 Q CA -2.290 53.591 55.803 0.130 0.000 0.820 147 Q CB 1.654 30.457 28.738 0.108 0.000 1.347 147 Q HN 0.063 nan 8.270 nan 0.000 0.444 148 P HA 0.033 nan 4.420 nan 0.000 0.264 148 P C 0.719 177.892 177.300 -0.212 0.000 1.183 148 P CA 1.268 64.130 63.100 -0.396 0.000 0.763 148 P CB 0.426 31.947 31.700 -0.298 0.000 0.807 149 G N 2.124 110.792 108.800 -0.220 0.000 2.399 149 G HA2 -0.243 3.711 3.960 -0.009 0.000 0.216 149 G HA3 -0.243 3.711 3.960 -0.009 0.000 0.216 149 G C 0.208 175.035 174.900 -0.122 0.000 1.096 149 G CA -0.002 45.014 45.100 -0.140 0.000 0.650 149 G HN 0.698 nan 8.290 nan 0.000 0.512 150 K N 2.684 123.014 120.400 -0.118 0.000 2.267 150 K HA 0.498 4.812 4.320 -0.009 0.000 0.282 150 K C 0.994 177.512 176.600 -0.137 0.000 1.078 150 K CA 0.351 56.581 56.287 -0.095 0.000 0.903 150 K CB 0.328 32.798 32.500 -0.051 0.000 1.111 150 K HN 0.472 nan 8.250 nan 0.000 0.475 151 T N 0.287 114.761 114.554 -0.133 0.000 2.946 151 T HA 0.047 4.392 4.350 -0.009 0.000 0.312 151 T C 0.265 174.843 174.700 -0.204 0.000 1.066 151 T CA -0.712 61.290 62.100 -0.163 0.000 1.138 151 T CB 0.603 69.397 68.868 -0.123 0.000 1.014 151 T HN 0.188 nan 8.240 nan 0.000 0.544 152 V N 3.674 123.401 119.914 -0.312 0.000 2.432 152 V HA 0.235 4.350 4.120 -0.009 0.000 0.275 152 V C 0.623 176.556 176.094 -0.268 0.000 1.043 152 V CA -0.759 61.276 62.300 -0.442 0.000 0.925 152 V CB 1.168 32.397 31.823 -0.991 0.000 0.985 152 V HN 1.011 nan 8.190 nan 0.000 0.466 153 D N 4.167 124.474 120.400 -0.155 0.000 2.402 153 D HA 0.319 4.954 4.640 -0.009 0.000 0.235 153 D C 1.022 177.278 176.300 -0.072 0.000 1.226 153 D CA 0.286 54.231 54.000 -0.092 0.000 0.918 153 D CB 1.440 42.215 40.800 -0.040 0.000 1.043 153 D HN 0.588 nan 8.370 nan 0.000 0.506 154 A N 3.287 126.041 122.820 -0.110 0.000 1.908 154 A HA -0.192 4.122 4.320 -0.009 0.000 0.218 154 A C 2.131 179.688 177.584 -0.044 0.000 1.181 154 A CA 1.810 53.794 52.037 -0.089 0.000 0.627 154 A CB -0.571 18.340 19.000 -0.149 0.000 0.818 154 A HN 0.584 nan 8.150 nan 0.000 0.445 155 T N -0.815 113.699 114.554 -0.066 0.000 2.708 155 T HA -0.122 4.222 4.350 -0.009 0.000 0.266 155 T C 2.330 177.034 174.700 0.006 0.000 1.037 155 T CA 1.834 63.898 62.100 -0.060 0.000 1.146 155 T CB -0.287 68.520 68.868 -0.101 0.000 0.865 155 T HN 0.582 nan 8.240 nan 0.000 0.435 156 S N 0.346 116.054 115.700 0.014 0.000 2.371 156 S HA -0.067 4.398 4.470 -0.009 0.000 0.224 156 S C 2.044 176.731 174.600 0.145 0.000 1.029 156 S CA 1.223 59.462 58.200 0.064 0.000 0.978 156 S CB -0.179 63.042 63.200 0.035 0.000 0.833 156 S HN 0.371 nan 8.310 nan 0.000 0.466 157 E N 0.634 120.920 120.200 0.144 0.000 2.112 157 E HA 0.100 4.444 4.350 -0.009 0.000 0.190 157 E C 2.215 178.944 176.600 0.215 0.000 0.979 157 E CA 0.858 57.391 56.400 0.222 0.000 0.814 157 E CB -0.264 29.647 29.700 0.351 0.000 0.762 157 E HN 0.415 nan 8.360 nan 0.000 0.460 158 S N -0.650 115.156 115.700 0.177 0.000 2.387 158 S HA -0.063 4.402 4.470 -0.009 0.000 0.226 158 S C 1.443 176.104 174.600 0.102 0.000 1.026 158 S CA 0.379 58.656 58.200 0.128 0.000 0.972 158 S CB -0.301 62.940 63.200 0.069 0.000 0.814 158 S HN 0.344 nan 8.310 nan 0.000 0.477 159 F N 2.441 122.393 119.950 0.004 0.000 2.333 159 F HA 0.009 4.531 4.527 -0.008 0.000 0.300 159 F C 2.177 177.982 175.800 0.009 0.000 1.083 159 F CA 1.105 59.103 58.000 -0.004 0.000 1.395 159 F CB -0.067 38.923 39.000 -0.018 0.000 1.056 159 F HN 0.056 nan 8.300 nan 0.000 0.529 160 R N -0.403 120.118 120.500 0.035 0.000 2.048 160 R HA -0.060 4.275 4.340 -0.009 0.000 0.224 160 R C 2.164 178.416 176.300 -0.080 0.000 1.163 160 R CA 1.548 57.632 56.100 -0.026 0.000 0.956 160 R CB -0.662 29.670 30.300 0.053 0.000 0.849 160 R HN 0.148 nan 8.270 nan 0.000 0.435 161 V N 1.884 121.766 119.914 -0.054 0.000 2.660 161 V HA -0.286 3.828 4.120 -0.009 0.000 0.257 161 V C 2.351 178.385 176.094 -0.101 0.000 1.088 161 V CA 1.777 64.027 62.300 -0.085 0.000 1.106 161 V CB -0.986 30.778 31.823 -0.098 0.000 0.686 161 V HN 0.494 nan 8.190 nan 0.000 0.481 162 A N 0.398 123.141 122.820 -0.128 0.000 1.827 162 A HA -0.162 4.152 4.320 -0.009 0.000 0.215 162 A C 2.339 179.829 177.584 -0.157 0.000 1.212 162 A CA 2.284 54.226 52.037 -0.158 0.000 0.624 162 A CB -1.035 17.819 19.000 -0.244 0.000 0.853 162 A HN 0.259 nan 8.150 nan 0.000 0.450 163 V N 0.790 120.550 119.914 -0.257 0.000 2.232 163 V HA -0.445 3.669 4.120 -0.009 0.000 0.254 163 V C 2.612 178.661 176.094 -0.075 0.000 1.058 163 V CA 2.797 64.986 62.300 -0.186 0.000 1.048 163 V CB -1.300 30.400 31.823 -0.204 0.000 0.668 163 V HN 0.635 nan 8.190 nan 0.000 0.462 164 R N -0.365 120.096 120.500 -0.066 0.000 2.206 164 R HA -0.254 4.081 4.340 -0.009 0.000 0.240 164 R C 2.084 178.382 176.300 -0.004 0.000 1.117 164 R CA 2.395 58.479 56.100 -0.027 0.000 0.915 164 R CB -1.406 28.865 30.300 -0.050 0.000 0.888 164 R HN 0.474 nan 8.270 nan 0.000 0.432 165 V N 1.233 121.134 119.914 -0.023 0.000 2.220 165 V HA -0.348 3.766 4.120 -0.009 0.000 0.250 165 V C 2.650 178.806 176.094 0.103 0.000 1.056 165 V CA 2.250 64.553 62.300 0.006 0.000 1.016 165 V CB -1.153 30.631 31.823 -0.065 0.000 0.639 165 V HN 0.596 nan 8.190 nan 0.000 0.446 166 A N 0.058 122.953 122.820 0.124 0.000 1.852 166 A HA -0.252 4.062 4.320 -0.009 0.000 0.217 166 A C 2.463 180.108 177.584 0.102 0.000 1.215 166 A CA 3.194 55.375 52.037 0.239 0.000 0.641 166 A CB -1.329 17.775 19.000 0.172 0.000 0.838 166 A HN 0.709 nan 8.150 nan 0.000 0.450 167 A N -0.710 122.139 122.820 0.047 0.000 1.873 167 A HA -0.242 4.073 4.320 -0.009 0.000 0.218 167 A C 2.247 179.847 177.584 0.025 0.000 1.193 167 A CA 1.908 53.957 52.037 0.021 0.000 0.629 167 A CB -0.631 18.384 19.000 0.025 0.000 0.826 167 A HN 0.556 nan 8.150 nan 0.000 0.447 168 R N -1.358 119.184 120.500 0.069 0.000 2.159 168 R HA -0.155 4.179 4.340 -0.009 0.000 0.237 168 R C 2.058 178.390 176.300 0.053 0.000 1.131 168 R CA 1.487 57.655 56.100 0.115 0.000 0.982 168 R CB -0.538 29.836 30.300 0.122 0.000 0.868 168 R HN 0.663 nan 8.270 nan 0.000 0.453 169 C N -0.500 118.782 119.300 -0.030 0.000 2.518 169 C HA 0.156 4.610 4.460 -0.009 0.000 0.283 169 C C 2.105 176.817 174.990 -0.464 0.000 1.351 169 C CA -0.137 58.745 59.018 -0.228 0.000 1.745 169 C CB -0.265 27.297 27.740 -0.296 0.000 2.107 169 C HN 0.381 nan 8.230 nan 0.000 0.502 170 L N 0.672 121.659 121.223 -0.393 0.000 2.610 170 L HA 0.234 4.568 4.340 -0.009 0.000 0.232 170 L C -0.346 176.417 176.870 -0.179 0.000 1.149 170 L CA 0.896 55.512 54.840 -0.373 0.000 0.872 170 L CB -0.490 41.386 42.059 -0.306 0.000 0.992 170 L HN 0.336 nan 8.230 nan 0.000 0.447 171 L N -0.889 120.267 121.223 -0.113 0.000 2.591 171 L HA 0.506 4.840 4.340 -0.009 0.000 0.257 171 L C -0.890 175.949 176.870 -0.052 0.000 0.935 171 L CA -0.737 54.060 54.840 -0.072 0.000 0.873 171 L CB 2.046 44.067 42.059 -0.064 0.000 1.397 171 L HN -0.102 nan 8.230 nan 0.000 0.414 172 R N 0.676 121.137 120.500 -0.064 0.000 2.621 172 R HA 0.803 5.137 4.340 -0.009 0.000 0.284 172 R C 0.069 176.274 176.300 -0.158 0.000 0.998 172 R CA -0.069 55.990 56.100 -0.068 0.000 0.895 172 R CB 2.371 32.673 30.300 0.004 0.000 1.195 172 R HN 0.940 nan 8.270 nan 0.000 0.450 173 G N 1.499 110.105 108.800 -0.322 0.000 1.742 173 G HA2 -0.188 3.766 3.960 -0.009 0.000 0.185 173 G HA3 -0.188 3.766 3.960 -0.009 0.000 0.185 173 G C -1.120 173.346 174.900 -0.724 0.000 1.174 173 G CA -0.804 44.078 45.100 -0.363 0.000 1.276 173 G HN 0.451 nan 8.290 nan 0.000 0.424 174 Q N 1.025 120.539 119.800 -0.478 0.000 2.286 174 Q HA 0.408 4.742 4.340 -0.009 0.000 0.267 174 Q C -1.156 174.531 176.000 -0.523 0.000 1.028 174 Q CA 0.098 55.666 55.803 -0.392 0.000 0.901 174 Q CB 0.915 29.548 28.738 -0.175 0.000 1.183 174 Q HN 0.457 nan 8.270 nan 0.000 0.392 175 Y N 2.088 122.390 120.300 0.003 0.000 2.393 175 Y HA 0.059 4.603 4.550 -0.010 0.000 0.338 175 Y C 1.083 176.985 175.900 0.003 0.000 1.029 175 Y CA -0.249 57.852 58.100 0.002 0.000 1.239 175 Y CB 0.661 39.122 38.460 0.002 0.000 1.170 175 Y HN 0.602 nan 8.280 nan 0.000 0.515 176 M N 0.438 120.124 119.600 0.143 0.000 2.618 176 M HA -0.005 4.469 4.480 -0.009 0.000 0.240 176 M C 0.683 177.042 176.300 0.099 0.000 1.123 176 M CA 0.235 55.586 55.300 0.085 0.000 1.060 176 M CB -0.355 32.275 32.600 0.050 0.000 1.535 176 M HN 0.583 nan 8.290 nan 0.000 0.507 177 D N 1.852 122.340 120.400 0.146 0.000 3.423 177 D HA -0.287 4.348 4.640 -0.009 0.000 0.510 177 D C 1.176 177.509 176.300 0.055 0.000 0.603 177 D CA 1.776 55.828 54.000 0.086 0.000 1.141 177 D CB -0.258 40.585 40.800 0.072 0.000 0.337 177 D HN 0.421 nan 8.370 nan 0.000 0.209 178 E N -0.438 119.790 120.200 0.046 0.000 2.478 178 E HA -0.074 4.270 4.350 -0.009 0.000 0.198 178 E C 1.993 178.623 176.600 0.050 0.000 1.046 178 E CA 0.115 56.542 56.400 0.045 0.000 0.870 178 E CB 0.155 29.879 29.700 0.040 0.000 0.818 178 E HN 0.167 nan 8.360 nan 0.000 0.527 179 R N 0.070 120.599 120.500 0.049 0.000 2.062 179 R HA -0.051 4.284 4.340 -0.009 0.000 0.229 179 R C 2.162 178.490 176.300 0.046 0.000 1.128 179 R CA 1.196 57.323 56.100 0.045 0.000 0.960 179 R CB -0.090 30.235 30.300 0.042 0.000 0.855 179 R HN 0.135 nan 8.270 nan 0.000 0.432 180 A N 1.232 124.079 122.820 0.044 0.000 1.877 180 A HA -0.207 4.108 4.320 -0.009 0.000 0.216 180 A C 1.852 179.473 177.584 0.062 0.000 1.186 180 A CA 1.733 53.793 52.037 0.038 0.000 0.620 180 A CB -0.551 18.464 19.000 0.024 0.000 0.822 180 A HN 0.512 nan 8.150 nan 0.000 0.443 181 E N -0.557 119.681 120.200 0.064 0.000 2.035 181 E HA -0.306 4.038 4.350 -0.009 0.000 0.204 181 E C 2.222 178.935 176.600 0.187 0.000 1.025 181 E CA 1.575 58.047 56.400 0.120 0.000 0.835 181 E CB -0.376 29.383 29.700 0.099 0.000 0.764 181 E HN 0.617 nan 8.360 nan 0.000 0.457 182 R N 1.067 121.635 120.500 0.114 0.000 2.159 182 R HA -0.253 4.081 4.340 -0.009 0.000 0.249 182 R C 2.423 178.762 176.300 0.065 0.000 1.136 182 R CA 2.084 58.231 56.100 0.079 0.000 0.951 182 R CB -0.527 29.803 30.300 0.051 0.000 0.876 182 R HN 0.193 nan 8.270 nan 0.000 0.440 183 L N -0.302 120.962 121.223 0.068 0.000 1.994 183 L HA -0.237 4.097 4.340 -0.009 0.000 0.208 183 L C 2.839 179.748 176.870 0.066 0.000 1.071 183 L CA 1.524 56.397 54.840 0.056 0.000 0.745 183 L CB -0.833 41.251 42.059 0.042 0.000 0.892 183 L HN 0.375 nan 8.230 nan 0.000 0.431 184 C N -0.828 118.556 119.300 0.139 0.000 2.422 184 C HA -0.072 4.382 4.460 -0.009 0.000 0.279 184 C C 2.847 177.870 174.990 0.054 0.000 1.305 184 C CA -0.015 59.136 59.018 0.221 0.000 1.757 184 C CB -0.766 27.236 27.740 0.437 0.000 1.962 184 C HN 0.326 nan 8.230 nan 0.000 0.499 185 V N 1.682 121.614 119.914 0.030 0.000 2.222 185 V HA -0.195 3.919 4.120 -0.009 0.000 0.240 185 V C 2.792 178.696 176.094 -0.316 0.000 1.040 185 V CA 2.339 64.434 62.300 -0.342 0.000 0.988 185 V CB -1.451 30.303 31.823 -0.115 0.000 0.633 185 V HN 0.514 nan 8.190 nan 0.000 0.452 186 A N -1.016 121.703 122.820 -0.168 0.000 2.159 186 A HA -0.251 4.063 4.320 -0.009 0.000 0.222 186 A C 2.160 179.578 177.584 -0.276 0.000 1.163 186 A CA 2.260 54.199 52.037 -0.164 0.000 0.664 186 A CB -0.580 18.388 19.000 -0.053 0.000 0.803 186 A HN 0.527 nan 8.150 nan 0.000 0.470 187 L N -1.378 119.668 121.223 -0.296 0.000 2.056 187 L HA 0.033 4.368 4.340 -0.009 0.000 0.202 187 L C 2.952 179.277 176.870 -0.907 0.000 1.086 187 L CA 1.096 55.627 54.840 -0.514 0.000 0.758 187 L CB -0.516 41.434 42.059 -0.180 0.000 0.912 187 L HN 0.351 nan 8.230 nan 0.000 0.446 188 A N -0.352 122.076 122.820 -0.653 0.000 1.971 188 A HA -0.327 3.988 4.320 -0.009 0.000 0.222 188 A C 2.252 179.487 177.584 -0.582 0.000 1.182 188 A CA 2.717 54.392 52.037 -0.604 0.000 0.649 188 A CB -1.427 17.238 19.000 -0.559 0.000 0.818 188 A HN 0.649 nan 8.150 nan 0.000 0.458 189 T N -3.198 111.033 114.554 -0.538 0.000 3.007 189 T HA -0.005 4.339 4.350 -0.009 0.000 0.270 189 T C 1.504 175.965 174.700 -0.397 0.000 1.107 189 T CA 1.248 63.116 62.100 -0.387 0.000 1.118 189 T CB -0.442 68.244 68.868 -0.304 0.000 0.889 189 T HN 0.107 nan 8.240 nan 0.000 0.506 190 V N 0.243 119.760 119.914 -0.662 0.000 2.809 190 V HA 0.059 4.173 4.120 -0.009 0.000 0.256 190 V C 2.155 178.066 176.094 -0.304 0.000 1.080 190 V CA 1.179 63.106 62.300 -0.622 0.000 1.102 190 V CB -0.904 30.158 31.823 -1.268 0.000 0.705 190 V HN 0.548 nan 8.190 nan 0.000 0.475 191 F N -0.326 119.452 119.950 -0.286 0.000 2.187 191 F HA -0.081 4.440 4.527 -0.010 0.000 0.295 191 F C 2.674 178.402 175.800 -0.121 0.000 1.091 191 F CA 0.510 58.406 58.000 -0.174 0.000 1.308 191 F CB -0.196 38.716 39.000 -0.145 0.000 1.030 191 F HN 0.027 nan 8.300 nan 0.000 0.487 192 R N 0.810 121.337 120.500 0.046 0.000 2.109 192 R HA -0.006 4.329 4.340 -0.009 0.000 0.227 192 R C 1.089 177.383 176.300 -0.009 0.000 1.132 192 R CA 1.381 57.480 56.100 -0.002 0.000 0.907 192 R CB -1.128 29.139 30.300 -0.055 0.000 0.825 192 R HN 0.306 nan 8.270 nan 0.000 0.432 211 P HA 0.222 nan 4.420 nan 0.000 0.299 211 P C 0.283 177.749 177.300 0.276 0.000 1.969 211 P CA 1.223 64.486 63.100 0.270 0.000 1.764 211 P CB -0.077 31.704 31.700 0.135 0.000 0.241 212 A N -1.302 121.714 122.820 0.326 0.000 2.548 212 A HA 0.542 4.856 4.320 -0.009 0.000 0.282 212 A C 0.973 178.649 177.584 0.154 0.000 1.288 212 A CA -0.087 52.120 52.037 0.283 0.000 0.748 212 A CB 0.365 19.630 19.000 0.441 0.000 1.339 212 A HN 0.540 nan 8.150 nan 0.000 0.475 213 N N 0.062 118.844 118.700 0.137 0.000 2.119 213 N HA -0.031 4.703 4.740 -0.009 0.000 0.190 213 N C 1.220 176.765 175.510 0.058 0.000 1.068 213 N CA 1.030 54.126 53.050 0.077 0.000 0.872 213 N CB -0.328 38.194 38.487 0.059 0.000 1.053 213 N HN 0.505 nan 8.380 nan 0.000 0.447 214 R N 0.437 120.977 120.500 0.068 0.000 1.966 214 R HA 0.282 4.616 4.340 -0.009 0.000 0.191 214 R C 2.044 178.377 176.300 0.055 0.000 1.542 214 R CA 0.133 56.261 56.100 0.046 0.000 1.210 214 R CB -0.609 29.710 30.300 0.031 0.000 1.039 214 R HN 0.170 nan 8.270 nan 0.000 0.476 215 R N 0.967 121.506 120.500 0.064 0.000 2.280 215 R HA 0.047 4.381 4.340 -0.009 0.000 0.207 215 R C 1.904 178.279 176.300 0.126 0.000 1.043 215 R CA 0.388 56.526 56.100 0.063 0.000 1.006 215 R CB -0.427 29.894 30.300 0.035 0.000 0.885 215 R HN 0.286 nan 8.270 nan 0.000 0.467 216 F N 1.327 121.251 119.950 -0.043 0.000 2.502 216 F HA -0.080 4.441 4.527 -0.010 0.000 0.298 216 F C 1.710 177.495 175.800 -0.025 0.000 1.111 216 F CA 0.328 58.292 58.000 -0.059 0.000 1.445 216 F CB 0.166 39.129 39.000 -0.063 0.000 1.081 216 F HN 0.011 nan 8.300 nan 0.000 0.558 217 N N 1.041 119.737 118.700 -0.008 0.000 2.124 217 N HA -0.157 4.577 4.740 -0.009 0.000 0.189 217 N C 1.031 176.521 175.510 -0.033 0.000 1.050 217 N CA 1.602 54.589 53.050 -0.105 0.000 0.848 217 N CB -0.515 37.941 38.487 -0.051 0.000 1.027 217 N HN 0.194 nan 8.380 nan 0.000 0.435 218 D N 0.723 121.127 120.400 0.007 0.000 2.322 218 D HA -0.115 4.520 4.640 -0.009 0.000 0.210 218 D C 1.360 177.677 176.300 0.028 0.000 0.983 218 D CA 0.687 54.698 54.000 0.018 0.000 0.902 218 D CB -0.047 40.766 40.800 0.021 0.000 0.905 218 D HN 0.333 nan 8.370 nan 0.000 0.483 219 A N -0.736 122.111 122.820 0.046 0.000 1.973 219 A HA 0.158 4.473 4.320 -0.009 0.000 0.210 219 A C 2.078 179.682 177.584 0.032 0.000 1.200 219 A CA -0.009 52.064 52.037 0.060 0.000 0.707 219 A CB -0.207 18.861 19.000 0.113 0.000 0.862 219 A HN 0.134 nan 8.150 nan 0.000 0.461 220 L N -0.373 120.849 121.223 -0.002 0.000 1.973 220 L HA -0.130 4.205 4.340 -0.009 0.000 0.208 220 L C 3.114 179.994 176.870 0.017 0.000 1.073 220 L CA 1.206 56.017 54.840 -0.049 0.000 0.746 220 L CB -0.606 41.367 42.059 -0.143 0.000 0.891 220 L HN 0.387 nan 8.230 nan 0.000 0.433 221 A N -0.553 122.313 122.820 0.077 0.000 1.927 221 A HA -0.324 3.991 4.320 -0.009 0.000 0.220 221 A C 2.080 179.726 177.584 0.103 0.000 1.185 221 A CA 2.322 54.437 52.037 0.130 0.000 0.639 221 A CB -0.769 18.268 19.000 0.062 0.000 0.820 221 A HN 0.501 nan 8.150 nan 0.000 0.451 222 D N -0.556 119.872 120.400 0.047 0.000 2.144 222 D HA -0.129 4.505 4.640 -0.009 0.000 0.200 222 D C 1.934 178.243 176.300 0.016 0.000 0.978 222 D CA 1.566 55.588 54.000 0.036 0.000 0.833 222 D CB -0.111 40.705 40.800 0.027 0.000 0.961 222 D HN 0.404 nan 8.370 nan 0.000 0.470 223 L N 0.497 121.691 121.223 -0.049 0.000 2.083 223 L HA -0.150 4.185 4.340 -0.009 0.000 0.209 223 L C 2.111 178.897 176.870 -0.140 0.000 1.083 223 L CA 1.774 56.536 54.840 -0.130 0.000 0.752 223 L CB -0.546 41.370 42.059 -0.238 0.000 0.899 223 L HN 0.073 nan 8.230 nan 0.000 0.433 224 H N -0.927 118.213 119.070 0.115 0.000 2.415 224 H HA 0.009 4.559 4.556 -0.010 0.000 0.297 224 H C 2.258 177.721 175.328 0.225 0.000 1.048 224 H CA 1.507 57.706 56.048 0.251 0.000 1.365 224 H CB -0.172 29.748 29.762 0.264 0.000 1.421 224 H HN 0.361 nan 8.280 nan 0.000 0.533 225 L N 0.574 121.933 121.223 0.226 0.000 2.012 225 L HA -0.176 4.158 4.340 -0.009 0.000 0.210 225 L C 2.482 179.420 176.870 0.112 0.000 1.073 225 L CA 1.074 55.998 54.840 0.140 0.000 0.748 225 L CB -0.384 41.727 42.059 0.087 0.000 0.891 225 L HN 0.116 nan 8.230 nan 0.000 0.431 226 L N -1.698 119.573 121.223 0.080 0.000 2.027 226 L HA -0.200 4.135 4.340 -0.009 0.000 0.206 226 L C 2.335 179.226 176.870 0.035 0.000 1.074 226 L CA 1.046 55.913 54.840 0.045 0.000 0.745 226 L CB -0.158 41.914 42.059 0.022 0.000 0.898 226 L HN 0.063 nan 8.230 nan 0.000 0.433 227 V N -0.558 119.367 119.914 0.019 0.000 2.332 227 V HA -0.341 3.773 4.120 -0.009 0.000 0.248 227 V C 2.215 178.326 176.094 0.027 0.000 1.055 227 V CA 2.038 64.310 62.300 -0.047 0.000 1.038 227 V CB -0.637 31.036 31.823 -0.250 0.000 0.651 227 V HN 0.504 nan 8.190 nan 0.000 0.450 228 D N -0.055 120.446 120.400 0.169 0.000 2.078 228 D HA -0.169 4.465 4.640 -0.009 0.000 0.193 228 D C 2.274 178.631 176.300 0.094 0.000 0.990 228 D CA 1.509 55.634 54.000 0.208 0.000 0.827 228 D CB -0.085 40.852 40.800 0.229 0.000 0.975 228 D HN 0.549 nan 8.370 nan 0.000 0.451 229 E N 0.049 120.292 120.200 0.073 0.000 2.114 229 E HA -0.190 4.155 4.350 -0.009 0.000 0.199 229 E C 2.311 178.922 176.600 0.018 0.000 1.008 229 E CA 0.781 57.204 56.400 0.038 0.000 0.810 229 E CB -0.091 29.628 29.700 0.032 0.000 0.739 229 E HN 0.401 nan 8.360 nan 0.000 0.456 230 I N 0.510 121.086 120.570 0.011 0.000 2.614 230 I HA -0.208 3.956 4.170 -0.009 0.000 0.258 230 I C 2.213 178.322 176.117 -0.013 0.000 1.189 230 I CA 0.684 61.976 61.300 -0.015 0.000 1.462 230 I CB -0.084 37.900 38.000 -0.027 0.000 1.092 230 I HN 0.145 nan 8.210 nan 0.000 0.442 231 I N 0.622 121.198 120.570 0.010 0.000 2.406 231 I HA -0.170 3.995 4.170 -0.009 0.000 0.249 231 I C 2.802 178.924 176.117 0.010 0.000 1.122 231 I CA 0.889 62.196 61.300 0.013 0.000 1.431 231 I CB -0.234 37.790 38.000 0.040 0.000 1.087 231 I HN 0.149 nan 8.210 nan 0.000 0.424 232 A N 1.499 124.328 122.820 0.016 0.000 1.908 232 A HA -0.261 4.053 4.320 -0.009 0.000 0.218 232 A C 2.156 179.738 177.584 -0.002 0.000 1.181 232 A CA 2.159 54.202 52.037 0.010 0.000 0.627 232 A CB -0.702 18.307 19.000 0.015 0.000 0.818 232 A HN 0.645 nan 8.150 nan 0.000 0.445 233 E N -0.385 119.808 120.200 -0.011 0.000 2.072 233 E HA -0.220 4.124 4.350 -0.009 0.000 0.191 233 E C 2.162 178.746 176.600 -0.028 0.000 0.985 233 E CA 1.100 57.486 56.400 -0.023 0.000 0.801 233 E CB -0.444 29.234 29.700 -0.037 0.000 0.750 233 E HN 0.618 nan 8.360 nan 0.000 0.452 234 R N 1.125 121.606 120.500 -0.031 0.000 2.193 234 R HA -0.067 4.267 4.340 -0.009 0.000 0.229 234 R C 2.227 178.514 176.300 -0.021 0.000 1.110 234 R CA 0.875 56.956 56.100 -0.032 0.000 0.988 234 R CB -0.070 30.210 30.300 -0.034 0.000 0.871 234 R HN 0.016 nan 8.270 nan 0.000 0.458 235 R N 0.319 120.811 120.500 -0.014 0.000 2.170 235 R HA -0.135 4.200 4.340 -0.009 0.000 0.242 235 R C 1.991 178.285 176.300 -0.010 0.000 1.145 235 R CA 1.583 57.678 56.100 -0.008 0.000 0.984 235 R CB -0.378 29.920 30.300 -0.003 0.000 0.869 235 R HN 0.382 nan 8.270 nan 0.000 0.455 236 A N -0.907 121.906 122.820 -0.013 0.000 1.827 236 A HA -0.092 4.223 4.320 -0.009 0.000 0.215 236 A C 1.183 178.759 177.584 -0.012 0.000 1.212 236 A CA 1.726 53.756 52.037 -0.012 0.000 0.624 236 A CB -0.416 18.576 19.000 -0.015 0.000 0.853 236 A HN 0.252 nan 8.150 nan 0.000 0.450 237 S N -1.172 114.519 115.700 -0.015 0.000 2.279 237 S HA 0.478 4.942 4.470 -0.009 0.000 0.176 237 S C 0.273 174.863 174.600 -0.016 0.000 1.554 237 S CA 0.112 58.304 58.200 -0.014 0.000 1.242 237 S CB 0.238 63.431 63.200 -0.012 0.000 1.163 237 S HN 0.846 nan 8.310 nan 0.000 0.449 238 G N 3.057 111.847 108.800 -0.016 0.000 3.518 238 G HA2 0.163 4.118 3.960 -0.009 0.000 0.273 238 G HA3 0.163 4.118 3.960 -0.009 0.000 0.273 238 G C 0.863 175.754 174.900 -0.016 0.000 1.199 238 G CA -0.307 44.782 45.100 -0.018 0.000 0.899 238 G HN 0.760 nan 8.290 nan 0.000 0.533 239 Q N 0.876 120.667 119.800 -0.014 0.000 1.131 239 Q HA -0.297 4.038 4.340 -0.009 0.000 0.728 239 Q C 1.918 177.907 176.000 -0.017 0.000 0.949 239 Q CA 1.564 57.359 55.803 -0.014 0.000 0.850 239 Q CB -0.443 28.287 28.738 -0.013 0.000 0.916 239 Q HN 0.301 nan 8.270 nan 0.000 0.288 240 K N 1.095 121.485 120.400 -0.018 0.000 2.360 240 K HA -0.046 4.268 4.320 -0.009 0.000 0.201 240 K C -1.333 175.253 176.600 -0.022 0.000 1.046 240 K CA -0.021 56.252 56.287 -0.022 0.000 0.940 240 K CB -0.989 31.496 32.500 -0.024 0.000 0.748 240 K HN 0.196 nan 8.250 nan 0.000 0.465 241 P HA -0.107 nan 4.420 nan 0.000 0.242 241 P C -0.609 176.682 177.300 -0.016 0.000 1.116 241 P CA 0.688 63.782 63.100 -0.010 0.000 0.954 241 P CB 0.343 32.034 31.700 -0.015 0.000 0.908 242 D N 2.418 122.809 120.400 -0.015 0.000 2.347 242 D HA -0.089 4.546 4.640 -0.009 0.000 0.213 242 D C 0.089 176.383 176.300 -0.010 0.000 0.985 242 D CA 0.191 54.170 54.000 -0.035 0.000 0.879 242 D CB -0.105 40.644 40.800 -0.086 0.000 0.919 242 D HN 0.363 nan 8.370 nan 0.000 0.526 243 D N -0.341 120.081 120.400 0.037 0.000 2.300 243 D HA -0.154 4.481 4.640 -0.009 0.000 0.235 243 D C 1.700 177.936 176.300 -0.106 0.000 1.338 243 D CA -0.212 53.781 54.000 -0.011 0.000 0.903 243 D CB 0.384 41.152 40.800 -0.052 0.000 1.180 243 D HN 0.111 nan 8.370 nan 0.000 0.485 244 L N -0.469 120.632 121.223 -0.203 0.000 2.131 244 L HA -0.106 4.228 4.340 -0.009 0.000 0.210 244 L C 2.129 178.954 176.870 -0.076 0.000 1.092 244 L CA 0.943 55.684 54.840 -0.166 0.000 0.759 244 L CB -0.255 41.688 42.059 -0.193 0.000 0.903 244 L HN 0.546 nan 8.230 nan 0.000 0.435 245 L N -0.731 120.451 121.223 -0.069 0.000 2.017 245 L HA -0.244 4.090 4.340 -0.009 0.000 0.208 245 L C 2.378 179.232 176.870 -0.027 0.000 1.073 245 L CA 2.061 56.877 54.840 -0.039 0.000 0.745 245 L CB -0.305 41.728 42.059 -0.042 0.000 0.894 245 L HN 0.263 nan 8.230 nan 0.000 0.432 246 T N -0.425 114.110 114.554 -0.031 0.000 2.812 246 T HA -0.089 4.256 4.350 -0.009 0.000 0.264 246 T C 1.819 176.508 174.700 -0.018 0.000 1.042 246 T CA 1.139 63.226 62.100 -0.022 0.000 1.140 246 T CB -0.235 68.619 68.868 -0.023 0.000 0.870 246 T HN 0.529 nan 8.240 nan 0.000 0.445 247 A N 0.832 123.638 122.820 -0.025 0.000 2.019 247 A HA 0.097 4.411 4.320 -0.009 0.000 0.219 247 A C 2.179 179.762 177.584 -0.001 0.000 1.164 247 A CA 0.963 52.990 52.037 -0.016 0.000 0.644 247 A CB -0.675 18.309 19.000 -0.026 0.000 0.805 247 A HN 0.482 nan 8.150 nan 0.000 0.449 248 L N -0.853 120.370 121.223 -0.001 0.000 2.492 248 L HA 0.125 4.459 4.340 -0.009 0.000 0.223 248 L C 1.528 178.407 176.870 0.015 0.000 1.132 248 L CA 0.454 55.303 54.840 0.015 0.000 0.850 248 L CB -0.002 42.068 42.059 0.018 0.000 0.966 248 L HN 0.378 nan 8.230 nan 0.000 0.454 249 L N -0.962 120.264 121.223 0.006 0.000 2.607 249 L HA 0.082 4.417 4.340 -0.009 0.000 0.228 249 L C 0.355 177.228 176.870 0.005 0.000 1.123 249 L CA 0.306 55.150 54.840 0.006 0.000 0.890 249 L CB 0.256 42.315 42.059 0.001 0.000 1.103 249 L HN 0.182 nan 8.230 nan 0.000 0.468 250 E N 0.243 120.445 120.200 0.005 0.000 3.858 250 E HA 0.415 4.759 4.350 -0.009 0.000 0.208 250 E C -0.397 176.208 176.600 0.007 0.000 1.041 250 E CA -0.227 56.175 56.400 0.003 0.000 1.368 250 E CB 1.171 30.870 29.700 -0.001 0.000 1.176 250 E HN 0.261 nan 8.360 nan 0.000 0.448 261 E N 0.647 120.860 120.200 0.021 0.000 2.042 261 E HA -0.065 4.280 4.350 -0.009 0.000 0.189 261 E C 1.809 178.431 176.600 0.038 0.000 0.974 261 E CA 0.998 57.411 56.400 0.023 0.000 0.806 261 E CB 0.167 29.872 29.700 0.008 0.000 0.769 261 E HN 0.499 nan 8.360 nan 0.000 0.451 262 Q N 0.085 119.902 119.800 0.029 0.000 2.280 262 Q HA -0.003 4.331 4.340 -0.009 0.000 0.201 262 Q C 1.418 177.469 176.000 0.085 0.000 0.890 262 Q CA -0.033 55.795 55.803 0.041 0.000 0.947 262 Q CB 0.395 29.117 28.738 -0.027 0.000 1.081 262 Q HN 0.255 nan 8.270 nan 0.000 0.502 263 E N 0.191 120.434 120.200 0.071 0.000 2.299 263 E HA -0.096 4.248 4.350 -0.009 0.000 0.193 263 E C 1.420 178.077 176.600 0.094 0.000 0.998 263 E CA 0.595 57.043 56.400 0.080 0.000 0.851 263 E CB 0.179 29.915 29.700 0.060 0.000 0.795 263 E HN 0.560 nan 8.360 nan 0.000 0.492 264 I N 0.156 120.781 120.570 0.093 0.000 2.339 264 I HA -0.167 3.997 4.170 -0.009 0.000 0.245 264 I C 2.690 178.870 176.117 0.106 0.000 1.096 264 I CA 0.776 62.126 61.300 0.084 0.000 1.408 264 I CB -0.833 37.206 38.000 0.065 0.000 1.092 264 I HN 0.168 nan 8.210 nan 0.000 0.423 265 H N 1.859 120.957 119.070 0.047 0.000 2.518 265 H HA -0.158 4.392 4.556 -0.009 0.000 0.292 265 H C 1.018 176.397 175.328 0.085 0.000 1.068 265 H CA 1.558 57.644 56.048 0.063 0.000 1.275 265 H CB 0.034 29.828 29.762 0.052 0.000 1.375 265 H HN 0.386 nan 8.280 nan 0.000 0.563 266 D N -0.504 120.025 120.400 0.216 0.000 2.379 266 D HA -0.034 4.601 4.640 -0.009 0.000 0.218 266 D C 2.126 178.499 176.300 0.122 0.000 1.006 266 D CA 0.119 54.232 54.000 0.188 0.000 0.893 266 D CB 0.105 41.006 40.800 0.168 0.000 1.019 266 D HN 0.355 nan 8.370 nan 0.000 0.503 267 Q N 0.546 120.407 119.800 0.102 0.000 2.245 267 Q HA -0.016 4.319 4.340 -0.009 0.000 0.201 267 Q C 2.130 178.178 176.000 0.079 0.000 0.955 267 Q CA 0.458 56.319 55.803 0.096 0.000 0.870 267 Q CB 0.433 29.227 28.738 0.094 0.000 0.945 267 Q HN 0.132 nan 8.270 nan 0.000 0.461 268 V N 0.013 119.954 119.914 0.045 0.000 2.255 268 V HA -0.191 3.923 4.120 -0.009 0.000 0.243 268 V C 2.272 178.382 176.094 0.027 0.000 1.038 268 V CA 1.230 63.545 62.300 0.024 0.000 1.008 268 V CB -0.341 31.469 31.823 -0.022 0.000 0.645 268 V HN 0.095 nan 8.190 nan 0.000 0.449 269 V N 0.413 120.326 119.914 -0.003 0.000 2.982 269 V HA -0.231 3.884 4.120 -0.009 0.000 0.265 269 V C 2.309 178.453 176.094 0.084 0.000 1.122 269 V CA 1.790 64.105 62.300 0.024 0.000 1.143 269 V CB -1.000 30.846 31.823 0.039 0.000 0.726 269 V HN 0.560 nan 8.190 nan 0.000 0.507 270 A N -0.920 121.957 122.820 0.096 0.000 2.063 270 A HA 0.214 4.529 4.320 -0.009 0.000 0.211 270 A C 2.022 179.677 177.584 0.117 0.000 1.177 270 A CA 0.519 52.627 52.037 0.118 0.000 0.759 270 A CB -0.060 19.017 19.000 0.128 0.000 0.857 270 A HN 0.465 nan 8.150 nan 0.000 0.468 271 I N -1.148 119.487 120.570 0.108 0.000 2.731 271 I HA -0.034 4.131 4.170 -0.009 0.000 0.260 271 I C 2.182 178.367 176.117 0.114 0.000 1.138 271 I CA 0.438 61.808 61.300 0.117 0.000 1.461 271 I CB 0.050 38.142 38.000 0.153 0.000 1.128 271 I HN 0.265 nan 8.210 nan 0.000 0.438 272 L N 0.454 121.734 121.223 0.095 0.000 2.109 272 L HA -0.113 4.222 4.340 -0.009 0.000 0.207 272 L C 2.448 179.365 176.870 0.079 0.000 1.086 272 L CA 1.969 56.856 54.840 0.079 0.000 0.760 272 L CB -0.652 41.433 42.059 0.044 0.000 0.910 272 L HN 0.152 nan 8.230 nan 0.000 0.437 273 T N 0.359 114.970 114.554 0.094 0.000 2.569 273 T HA -0.126 4.218 4.350 -0.009 0.000 0.263 273 T C -0.320 174.462 174.700 0.137 0.000 1.074 273 T CA 2.055 64.230 62.100 0.123 0.000 1.176 273 T CB -1.303 67.654 68.868 0.148 0.000 0.863 273 T HN 0.245 nan 8.240 nan 0.000 0.410 274 P HA -0.021 nan 4.420 nan 0.000 0.214 274 P C 1.717 179.084 177.300 0.112 0.000 1.163 274 P CA 1.256 64.438 63.100 0.136 0.000 0.883 274 P CB -0.567 31.217 31.700 0.139 0.000 0.788 275 G N -0.938 107.922 108.800 0.099 0.000 2.499 275 G HA2 -0.252 3.702 3.960 -0.009 0.000 0.221 275 G HA3 -0.252 3.702 3.960 -0.009 0.000 0.221 275 G C 1.530 176.475 174.900 0.075 0.000 1.109 275 G CA 1.115 46.271 45.100 0.094 0.000 0.749 275 G HN 0.244 nan 8.290 nan 0.000 0.568 276 S N -0.397 115.332 115.700 0.049 0.000 2.387 276 S HA 0.013 4.478 4.470 -0.009 0.000 0.221 276 S C 1.999 176.587 174.600 -0.019 0.000 1.041 276 S CA 0.800 58.974 58.200 -0.043 0.000 0.959 276 S CB -0.054 63.056 63.200 -0.151 0.000 0.843 276 S HN 0.591 nan 8.310 nan 0.000 0.488 277 E N 0.726 120.995 120.200 0.116 0.000 2.268 277 E HA -0.113 4.231 4.350 -0.009 0.000 0.195 277 E C 1.326 178.011 176.600 0.142 0.000 0.995 277 E CA 1.227 57.767 56.400 0.234 0.000 0.836 277 E CB 0.055 29.927 29.700 0.286 0.000 0.763 277 E HN 0.457 nan 8.360 nan 0.000 0.491 278 T N 0.493 115.104 114.554 0.095 0.000 2.852 278 T HA -0.047 4.297 4.350 -0.009 0.000 0.256 278 T C 1.766 176.488 174.700 0.037 0.000 1.038 278 T CA 0.476 62.616 62.100 0.066 0.000 1.141 278 T CB -0.126 68.768 68.868 0.043 0.000 0.869 278 T HN 0.073 nan 8.240 nan 0.000 0.439 279 I N 1.530 122.112 120.570 0.020 0.000 2.567 279 I HA -0.056 4.108 4.170 -0.009 0.000 0.257 279 I C 2.325 178.440 176.117 -0.004 0.000 1.184 279 I CA 0.418 61.715 61.300 -0.005 0.000 1.451 279 I CB -0.397 37.586 38.000 -0.028 0.000 1.089 279 I HN 0.214 nan 8.210 nan 0.000 0.441 280 A N -0.922 121.904 122.820 0.011 0.000 1.831 280 A HA -0.138 4.176 4.320 -0.009 0.000 0.213 280 A C 2.410 179.998 177.584 0.007 0.000 1.223 280 A CA 1.666 53.718 52.037 0.026 0.000 0.604 280 A CB -1.158 17.905 19.000 0.105 0.000 0.878 280 A HN 0.333 nan 8.150 nan 0.000 0.450 281 S N -0.052 115.659 115.700 0.019 0.000 2.400 281 S HA -0.213 4.252 4.470 -0.009 0.000 0.234 281 S C 2.006 176.589 174.600 -0.028 0.000 1.049 281 S CA 2.022 60.189 58.200 -0.055 0.000 1.039 281 S CB -0.775 62.460 63.200 0.059 0.000 0.856 281 S HN 0.710 nan 8.310 nan 0.000 0.465 282 T N 2.571 117.166 114.554 0.069 0.000 2.622 282 T HA -0.053 4.292 4.350 -0.009 0.000 0.266 282 T C 1.750 176.494 174.700 0.074 0.000 1.047 282 T CA 1.481 63.652 62.100 0.118 0.000 1.159 282 T CB -0.533 68.368 68.868 0.055 0.000 0.863 282 T HN 0.327 nan 8.240 nan 0.000 0.422 283 I N 0.798 121.378 120.570 0.016 0.000 2.145 283 I HA -0.300 3.864 4.170 -0.009 0.000 0.244 283 I C 2.603 178.704 176.117 -0.027 0.000 1.075 283 I CA 1.608 62.911 61.300 0.005 0.000 1.332 283 I CB -0.466 37.538 38.000 0.008 0.000 1.033 283 I HN 0.300 nan 8.210 nan 0.000 0.410 284 M N -0.759 118.769 119.600 -0.119 0.000 2.088 284 M HA -0.285 4.189 4.480 -0.009 0.000 0.256 284 M C 2.197 178.342 176.300 -0.259 0.000 1.071 284 M CA 2.403 57.538 55.300 -0.274 0.000 1.097 284 M CB -0.616 31.687 32.600 -0.494 0.000 1.315 284 M HN 0.290 nan 8.290 nan 0.000 0.406 285 W N 0.020 121.308 121.300 -0.019 0.000 2.525 285 W HA -0.051 4.603 4.660 -0.010 0.000 0.259 285 W C 2.007 178.509 176.519 -0.029 0.000 1.253 285 W CA 0.054 57.385 57.345 -0.023 0.000 1.262 285 W CB -0.245 29.213 29.460 -0.004 0.000 1.122 285 W HN 0.211 nan 8.180 nan 0.000 0.607 286 L N -0.423 120.904 121.223 0.172 0.000 2.131 286 L HA -0.158 4.177 4.340 -0.009 0.000 0.206 286 L C 2.347 179.219 176.870 0.003 0.000 1.087 286 L CA 0.850 55.743 54.840 0.088 0.000 0.767 286 L CB -0.601 41.487 42.059 0.048 0.000 0.917 286 L HN 0.059 nan 8.230 nan 0.000 0.441 287 L N -0.490 120.701 121.223 -0.054 0.000 2.083 287 L HA -0.259 4.076 4.340 -0.009 0.000 0.209 287 L C 2.651 179.463 176.870 -0.097 0.000 1.083 287 L CA 1.341 56.081 54.840 -0.166 0.000 0.752 287 L CB -0.309 41.641 42.059 -0.182 0.000 0.899 287 L HN 0.425 nan 8.230 nan 0.000 0.433 288 Q N -0.451 119.339 119.800 -0.017 0.000 2.167 288 Q HA -0.198 4.136 4.340 -0.009 0.000 0.202 288 Q C 2.133 178.115 176.000 -0.030 0.000 0.970 288 Q CA 1.438 57.251 55.803 0.017 0.000 0.855 288 Q CB 0.105 28.939 28.738 0.159 0.000 0.911 288 Q HN 0.551 nan 8.270 nan 0.000 0.438 289 A N 0.823 123.639 122.820 -0.006 0.000 1.854 289 A HA -0.116 4.199 4.320 -0.009 0.000 0.214 289 A C 2.014 179.607 177.584 0.016 0.000 1.192 289 A CA 0.879 52.890 52.037 -0.044 0.000 0.611 289 A CB -0.743 18.277 19.000 0.033 0.000 0.832 289 A HN 0.420 nan 8.150 nan 0.000 0.442 290 L N -0.815 120.433 121.223 0.041 0.000 2.191 290 L HA -0.195 4.139 4.340 -0.009 0.000 0.212 290 L C 2.852 179.811 176.870 0.149 0.000 1.103 290 L CA 0.999 55.905 54.840 0.111 0.000 0.769 290 L CB -0.382 41.694 42.059 0.028 0.000 0.908 290 L HN 0.495 nan 8.230 nan 0.000 0.438 291 A N -1.252 121.614 122.820 0.076 0.000 2.030 291 A HA -0.085 4.229 4.320 -0.009 0.000 0.215 291 A C 1.642 179.204 177.584 -0.036 0.000 1.164 291 A CA 0.838 52.925 52.037 0.083 0.000 0.697 291 A CB -0.064 18.980 19.000 0.073 0.000 0.827 291 A HN 0.248 nan 8.150 nan 0.000 0.457 292 D N -0.812 119.482 120.400 -0.176 0.000 2.350 292 D HA 0.079 4.714 4.640 -0.009 0.000 0.213 292 D C -0.240 175.634 176.300 -0.710 0.000 1.031 292 D CA 0.573 54.300 54.000 -0.454 0.000 0.861 292 D CB 0.086 40.495 40.800 -0.650 0.000 0.926 292 D HN 0.504 nan 8.370 nan 0.000 0.520 293 H N -1.056 118.027 119.070 0.021 0.000 2.695 293 H HA 0.174 4.724 4.556 -0.009 0.000 0.222 293 H C -1.864 173.572 175.328 0.180 0.000 1.412 293 H CA -1.296 54.830 56.048 0.129 0.000 1.347 293 H CB 1.277 31.181 29.762 0.236 0.000 1.858 293 H HN -0.077 nan 8.280 nan 0.000 0.519 294 P HA -0.339 nan 4.420 nan 0.000 0.222 294 P C 1.840 179.238 177.300 0.162 0.000 1.155 294 P CA 2.144 65.340 63.100 0.160 0.000 0.890 294 P CB 0.413 32.173 31.700 0.100 0.000 0.790 295 E N -0.271 120.004 120.200 0.125 0.000 2.072 295 E HA -0.304 4.040 4.350 -0.009 0.000 0.218 295 E C 1.761 178.357 176.600 -0.006 0.000 1.051 295 E CA 2.142 58.537 56.400 -0.008 0.000 0.880 295 E CB -1.756 27.862 29.700 -0.137 0.000 0.783 295 E HN 0.428 nan 8.360 nan 0.000 0.473 296 H N 1.230 120.471 119.070 0.286 0.000 2.457 296 H HA 0.125 4.675 4.556 -0.009 0.000 0.294 296 H C 2.207 177.740 175.328 0.341 0.000 1.064 296 H CA 1.412 57.714 56.048 0.423 0.000 1.330 296 H CB -0.230 29.855 29.762 0.538 0.000 1.395 296 H HN 0.465 nan 8.280 nan 0.000 0.541 297 A N 1.001 124.040 122.820 0.365 0.000 1.883 297 A HA -0.213 4.101 4.320 -0.009 0.000 0.217 297 A C 1.721 179.443 177.584 0.231 0.000 1.186 297 A CA 2.106 54.315 52.037 0.287 0.000 0.624 297 A CB -0.308 18.852 19.000 0.267 0.000 0.822 297 A HN 0.323 nan 8.150 nan 0.000 0.444 298 D N -0.922 119.585 120.400 0.178 0.000 2.194 298 D HA -0.048 4.586 4.640 -0.009 0.000 0.204 298 D C 2.144 178.507 176.300 0.105 0.000 0.964 298 D CA 0.727 54.803 54.000 0.125 0.000 0.846 298 D CB -0.367 40.484 40.800 0.087 0.000 0.962 298 D HN 0.400 nan 8.370 nan 0.000 0.490 299 R N 0.281 120.839 120.500 0.098 0.000 2.105 299 R HA -0.023 4.312 4.340 -0.009 0.000 0.239 299 R C 2.314 178.690 176.300 0.127 0.000 1.135 299 R CA 0.690 56.801 56.100 0.017 0.000 0.967 299 R CB -0.183 30.017 30.300 -0.166 0.000 0.861 299 R HN 0.248 nan 8.270 nan 0.000 0.442 300 I N -0.179 120.559 120.570 0.280 0.000 2.676 300 I HA -0.190 3.974 4.170 -0.009 0.000 0.259 300 I C 2.553 178.771 176.117 0.169 0.000 1.194 300 I CA 0.783 62.252 61.300 0.283 0.000 1.473 300 I CB -0.168 37.992 38.000 0.267 0.000 1.096 300 I HN 0.121 nan 8.210 nan 0.000 0.443 301 R N 0.852 121.438 120.500 0.143 0.000 2.200 301 R HA -0.103 4.231 4.340 -0.009 0.000 0.208 301 R C 1.318 177.665 176.300 0.078 0.000 1.033 301 R CA 1.171 57.336 56.100 0.108 0.000 1.000 301 R CB 0.103 30.466 30.300 0.106 0.000 0.906 301 R HN 0.278 nan 8.270 nan 0.000 0.462 302 D N -0.079 120.362 120.400 0.069 0.000 2.162 302 D HA -0.130 4.505 4.640 -0.009 0.000 0.205 302 D C 1.567 177.895 176.300 0.046 0.000 0.964 302 D CA 0.865 54.891 54.000 0.045 0.000 0.847 302 D CB 0.059 40.873 40.800 0.024 0.000 0.988 302 D HN 0.278 nan 8.370 nan 0.000 0.480 303 E N 0.423 120.661 120.200 0.063 0.000 2.077 303 E HA -0.155 4.190 4.350 -0.009 0.000 0.193 303 E C 1.863 178.500 176.600 0.061 0.000 0.989 303 E CA 0.825 57.265 56.400 0.067 0.000 0.800 303 E CB 0.162 29.925 29.700 0.106 0.000 0.746 303 E HN 0.029 nan 8.360 nan 0.000 0.452 304 V N 0.890 120.845 119.914 0.069 0.000 2.307 304 V HA -0.232 3.882 4.120 -0.009 0.000 0.245 304 V C 2.136 178.258 176.094 0.048 0.000 1.045 304 V CA 2.144 64.480 62.300 0.060 0.000 1.024 304 V CB -0.493 31.372 31.823 0.069 0.000 0.651 304 V HN 0.265 nan 8.190 nan 0.000 0.449 305 E N 0.023 120.250 120.200 0.045 0.000 2.051 305 E HA -0.188 4.156 4.350 -0.009 0.000 0.192 305 E C 2.295 178.912 176.600 0.029 0.000 0.991 305 E CA 1.429 57.849 56.400 0.034 0.000 0.799 305 E CB -0.446 29.273 29.700 0.031 0.000 0.748 305 E HN 0.575 nan 8.360 nan 0.000 0.449 306 A N 0.479 123.317 122.820 0.029 0.000 1.852 306 A HA -0.264 4.050 4.320 -0.009 0.000 0.217 306 A C 2.484 180.082 177.584 0.023 0.000 1.215 306 A CA 2.148 54.199 52.037 0.024 0.000 0.641 306 A CB -1.170 17.845 19.000 0.024 0.000 0.838 306 A HN 0.167 nan 8.150 nan 0.000 0.450 307 V N -1.019 118.911 119.914 0.027 0.000 2.287 307 V HA -0.226 3.889 4.120 -0.009 0.000 0.248 307 V C 2.748 178.857 176.094 0.026 0.000 1.053 307 V CA 2.605 64.920 62.300 0.025 0.000 1.027 307 V CB -1.167 30.672 31.823 0.026 0.000 0.646 307 V HN 0.691 nan 8.190 nan 0.000 0.447 308 T N -2.017 112.555 114.554 0.030 0.000 2.942 308 T HA 0.148 4.493 4.350 -0.009 0.000 0.265 308 T C 1.547 176.260 174.700 0.022 0.000 1.062 308 T CA 1.795 63.913 62.100 0.031 0.000 1.139 308 T CB -0.241 68.652 68.868 0.041 0.000 0.883 308 T HN 0.851 nan 8.240 nan 0.000 0.468 309 G N -0.080 108.733 108.800 0.021 0.000 5.229 309 G HA2 -0.272 3.682 3.960 -0.009 0.000 0.250 309 G HA3 -0.272 3.682 3.960 -0.009 0.000 0.250 309 G C 0.995 175.902 174.900 0.011 0.000 1.380 309 G CA 0.468 45.577 45.100 0.015 0.000 0.933 309 G HN 1.036 nan 8.290 nan 0.000 0.731 310 G N -0.515 108.288 108.800 0.006 0.000 2.327 310 G HA2 0.331 4.286 3.960 -0.009 0.000 0.193 310 G HA3 0.331 4.286 3.960 -0.009 0.000 0.193 310 G C 0.541 175.430 174.900 -0.017 0.000 1.535 310 G CA 0.570 45.667 45.100 -0.004 0.000 0.598 310 G HN 0.656 nan 8.290 nan 0.000 1.134 311 R N 1.312 121.803 120.500 -0.015 0.000 2.619 311 R HA 0.123 4.458 4.340 -0.009 0.000 0.268 311 R C -2.470 173.808 176.300 -0.036 0.000 0.990 311 R CA -0.653 55.429 56.100 -0.029 0.000 1.092 311 R CB -0.124 30.172 30.300 -0.007 0.000 0.935 311 R HN 0.127 nan 8.270 nan 0.000 0.415 312 P HA -0.043 nan 4.420 nan 0.000 0.267 312 P C -0.379 177.020 177.300 0.165 0.000 1.205 312 P CA -0.066 62.907 63.100 -0.212 0.000 0.765 312 P CB 0.479 31.606 31.700 -0.955 0.000 0.828 313 V N 2.263 122.367 119.914 0.316 0.000 2.902 313 V HA 0.163 4.277 4.120 -0.009 0.000 0.297 313 V C 0.802 177.019 176.094 0.205 0.000 1.230 313 V CA 1.010 63.430 62.300 0.201 0.000 1.344 313 V CB -0.912 30.976 31.823 0.108 0.000 0.889 313 V HN 0.744 nan 8.190 nan 0.000 0.515 314 A N 3.196 126.090 122.820 0.124 0.000 2.515 314 A HA 0.679 4.994 4.320 -0.009 0.000 0.298 314 A C 0.074 177.742 177.584 0.140 0.000 1.059 314 A CA -0.563 51.558 52.037 0.139 0.000 0.698 314 A CB 0.778 19.860 19.000 0.137 0.000 1.289 314 A HN 0.765 nan 8.150 nan 0.000 0.404 315 F N 1.416 121.385 119.950 0.032 0.000 2.094 315 F HA -0.417 4.107 4.527 -0.005 0.000 0.296 315 F C 2.279 178.093 175.800 0.023 0.000 1.070 315 F CA 3.172 61.189 58.000 0.027 0.000 1.255 315 F CB 0.077 39.097 39.000 0.033 0.000 1.000 315 F HN 0.855 nan 8.300 nan 0.000 0.490 316 E N -0.615 119.733 120.200 0.247 0.000 2.085 316 E HA -0.240 4.105 4.350 -0.009 0.000 0.194 316 E C 1.729 178.329 176.600 -0.000 0.000 0.994 316 E CA 1.500 57.982 56.400 0.137 0.000 0.801 316 E CB -0.729 29.051 29.700 0.134 0.000 0.743 316 E HN 0.455 nan 8.360 nan 0.000 0.453 317 D N 1.635 122.038 120.400 0.006 0.000 2.084 317 D HA -0.178 4.457 4.640 -0.009 0.000 0.194 317 D C 2.414 178.676 176.300 -0.063 0.000 0.990 317 D CA 2.035 56.028 54.000 -0.012 0.000 0.826 317 D CB -0.712 40.098 40.800 0.017 0.000 0.971 317 D HN 0.314 nan 8.370 nan 0.000 0.453 318 V N 0.844 120.686 119.914 -0.119 0.000 2.252 318 V HA -0.304 3.810 4.120 -0.009 0.000 0.255 318 V C 1.977 177.975 176.094 -0.161 0.000 1.071 318 V CA 1.792 63.997 62.300 -0.159 0.000 1.050 318 V CB -0.758 30.904 31.823 -0.268 0.000 0.654 318 V HN 0.005 nan 8.190 nan 0.000 0.448 319 R N 0.709 121.076 120.500 -0.222 0.000 2.397 319 R HA -0.030 4.304 4.340 -0.009 0.000 0.213 319 R C 1.998 178.255 176.300 -0.072 0.000 1.102 319 R CA 1.341 57.347 56.100 -0.155 0.000 1.040 319 R CB -0.711 29.495 30.300 -0.157 0.000 0.844 319 R HN 0.702 nan 8.270 nan 0.000 0.478 320 K N -0.304 120.064 120.400 -0.053 0.000 2.367 320 K HA 0.228 4.542 4.320 -0.009 0.000 0.198 320 K C 0.527 177.128 176.600 0.001 0.000 1.132 320 K CA -0.090 56.187 56.287 -0.016 0.000 0.941 320 K CB 0.377 32.874 32.500 -0.004 0.000 1.052 320 K HN 0.031 nan 8.250 nan 0.000 0.507 321 L N 3.328 124.549 121.223 -0.003 0.000 2.583 321 L HA 0.100 4.435 4.340 -0.009 0.000 0.280 321 L C 1.043 177.932 176.870 0.032 0.000 1.261 321 L CA -0.059 54.796 54.840 0.025 0.000 1.164 321 L CB -0.448 41.622 42.059 0.018 0.000 1.402 321 L HN 0.111 nan 8.230 nan 0.000 0.443 322 R N 0.111 120.643 120.500 0.053 0.000 2.073 322 R HA -0.190 4.144 4.340 -0.009 0.000 0.234 322 R C 2.044 178.395 176.300 0.086 0.000 1.134 322 R CA 1.442 57.577 56.100 0.060 0.000 0.952 322 R CB -0.346 29.998 30.300 0.074 0.000 0.850 322 R HN 0.532 nan 8.270 nan 0.000 0.433 323 H N 0.589 119.687 119.070 0.048 0.000 2.387 323 H HA -0.057 4.494 4.556 -0.009 0.000 0.299 323 H C 1.659 177.027 175.328 0.067 0.000 1.090 323 H CA 2.053 58.144 56.048 0.072 0.000 1.332 323 H CB -0.177 29.643 29.762 0.096 0.000 1.386 323 H HN 0.066 nan 8.280 nan 0.000 0.516 324 T N -1.066 113.502 114.554 0.022 0.000 2.720 324 T HA -0.148 4.197 4.350 -0.009 0.000 0.268 324 T C 2.132 176.787 174.700 -0.076 0.000 1.037 324 T CA 1.376 63.462 62.100 -0.023 0.000 1.144 324 T CB -0.763 68.119 68.868 0.025 0.000 0.864 324 T HN 0.627 nan 8.240 nan 0.000 0.444 325 G N 1.308 110.067 108.800 -0.069 0.000 2.408 325 G HA2 -0.137 3.817 3.960 -0.009 0.000 0.215 325 G HA3 -0.137 3.817 3.960 -0.009 0.000 0.215 325 G C 1.620 176.441 174.900 -0.132 0.000 1.156 325 G CA 0.151 45.200 45.100 -0.085 0.000 0.793 325 G HN 0.409 nan 8.290 nan 0.000 0.535 326 N N 0.586 119.204 118.700 -0.136 0.000 2.104 326 N HA -0.132 4.602 4.740 -0.009 0.000 0.190 326 N C 2.385 177.776 175.510 -0.199 0.000 1.024 326 N CA 1.492 54.462 53.050 -0.133 0.000 0.853 326 N CB -0.215 38.251 38.487 -0.035 0.000 1.008 326 N HN 0.165 nan 8.380 nan 0.000 0.424 327 V N 2.523 122.269 119.914 -0.280 0.000 2.220 327 V HA -0.240 3.874 4.120 -0.009 0.000 0.246 327 V C 2.409 178.475 176.094 -0.047 0.000 1.049 327 V CA 1.511 63.697 62.300 -0.190 0.000 1.003 327 V CB -0.587 31.151 31.823 -0.140 0.000 0.634 327 V HN 0.243 nan 8.190 nan 0.000 0.444 328 I N -0.205 120.332 120.570 -0.054 0.000 2.236 328 I HA -0.274 3.890 4.170 -0.009 0.000 0.249 328 I C 2.318 178.392 176.117 -0.072 0.000 1.102 328 I CA 1.452 62.736 61.300 -0.028 0.000 1.365 328 I CB -0.483 37.493 38.000 -0.040 0.000 1.051 328 I HN 0.188 nan 8.210 nan 0.000 0.420 329 V N 0.341 120.145 119.914 -0.185 0.000 2.283 329 V HA -0.230 3.884 4.120 -0.009 0.000 0.243 329 V C 2.498 178.424 176.094 -0.280 0.000 1.039 329 V CA 1.966 64.066 62.300 -0.333 0.000 1.016 329 V CB -0.572 30.853 31.823 -0.665 0.000 0.650 329 V HN 0.364 nan 8.190 nan 0.000 0.449 330 E N 0.990 121.080 120.200 -0.185 0.000 2.130 330 E HA -0.223 4.122 4.350 -0.009 0.000 0.196 330 E C 2.044 178.683 176.600 0.065 0.000 0.998 330 E CA 1.825 58.250 56.400 0.041 0.000 0.806 330 E CB -0.468 29.084 29.700 -0.246 0.000 0.738 330 E HN 0.525 nan 8.360 nan 0.000 0.459 331 A N 0.250 123.171 122.820 0.170 0.000 1.873 331 A HA -0.137 4.178 4.320 -0.009 0.000 0.215 331 A C 2.311 179.926 177.584 0.051 0.000 1.186 331 A CA 1.800 53.986 52.037 0.247 0.000 0.616 331 A CB -0.544 18.612 19.000 0.260 0.000 0.823 331 A HN 0.352 nan 8.150 nan 0.000 0.442 332 M N -1.187 118.416 119.600 0.005 0.000 2.279 332 M HA -0.144 4.330 4.480 -0.009 0.000 0.264 332 M C 2.330 178.593 176.300 -0.062 0.000 1.062 332 M CA 1.550 56.828 55.300 -0.036 0.000 1.099 332 M CB -0.367 32.193 32.600 -0.065 0.000 1.394 332 M HN 0.490 nan 8.290 nan 0.000 0.426 333 R N 1.088 121.551 120.500 -0.063 0.000 2.066 333 R HA -0.106 4.228 4.340 -0.009 0.000 0.232 333 R C 1.922 178.150 176.300 -0.120 0.000 1.131 333 R CA 1.374 57.433 56.100 -0.067 0.000 0.955 333 R CB -0.124 30.169 30.300 -0.012 0.000 0.851 333 R HN 0.344 nan 8.270 nan 0.000 0.432 334 L N -0.079 121.075 121.223 -0.115 0.000 2.131 334 L HA 0.011 4.345 4.340 -0.009 0.000 0.206 334 L C 1.187 177.939 176.870 -0.197 0.000 1.087 334 L CA 0.854 55.598 54.840 -0.159 0.000 0.767 334 L CB 0.065 42.072 42.059 -0.086 0.000 0.917 334 L HN -0.005 nan 8.230 nan 0.000 0.441 335 R N 0.400 120.723 120.500 -0.296 0.000 2.983 335 R HA 0.303 4.638 4.340 -0.009 0.000 0.300 335 R C -2.443 173.663 176.300 -0.324 0.000 1.367 335 R CA -1.635 54.096 56.100 -0.615 0.000 1.564 335 R CB 0.339 29.744 30.300 -1.492 0.000 1.314 335 R HN 0.077 nan 8.270 nan 0.000 0.622 336 P HA 0.083 nan 4.420 nan 0.000 0.272 336 P C 0.328 177.731 177.300 0.171 0.000 1.240 336 P CA 0.039 63.175 63.100 0.058 0.000 0.791 336 P CB 1.123 32.872 31.700 0.081 0.000 0.978 337 A N 1.670 124.594 122.820 0.174 0.000 1.903 337 A HA 0.049 4.364 4.320 -0.009 0.000 0.213 337 A C 1.103 178.830 177.584 0.238 0.000 1.185 337 A CA 0.936 53.109 52.037 0.226 0.000 0.628 337 A CB -0.657 18.433 19.000 0.150 0.000 0.830 337 A HN 0.431 nan 8.150 nan 0.000 0.446 338 V N 2.166 122.170 119.914 0.151 0.000 2.348 338 V HA 0.356 4.470 4.120 -0.009 0.000 0.270 338 V C 0.312 176.500 176.094 0.156 0.000 1.037 338 V CA -0.570 61.803 62.300 0.122 0.000 0.872 338 V CB 0.716 32.536 31.823 -0.005 0.000 1.002 338 V HN 0.619 nan 8.190 nan 0.000 0.464 339 W N 7.074 128.368 121.300 -0.010 0.000 3.127 339 W HA 0.479 5.133 4.660 -0.009 0.000 0.344 339 W C -0.719 175.776 176.519 -0.040 0.000 1.151 339 W CA -0.050 57.303 57.345 0.013 0.000 1.765 339 W CB -0.666 28.799 29.460 0.008 0.000 1.085 339 W HN 0.443 nan 8.180 nan 0.000 0.596 340 V N 1.126 120.601 119.914 -0.732 0.000 3.087 340 V HA 0.690 4.805 4.120 -0.009 0.000 0.306 340 V C -0.849 174.873 176.094 -0.619 0.000 1.187 340 V CA -1.252 60.607 62.300 -0.736 0.000 0.999 340 V CB 2.058 33.289 31.823 -0.986 0.000 1.049 340 V HN -0.053 nan 8.190 nan 0.000 0.431 341 L N 1.509 122.315 121.223 -0.696 0.000 2.464 341 L HA 0.774 5.108 4.340 -0.009 0.000 0.266 341 L C -0.419 176.234 176.870 -0.362 0.000 0.965 341 L CA -0.233 54.256 54.840 -0.584 0.000 0.833 341 L CB 2.816 44.385 42.059 -0.816 0.000 1.296 341 L HN 0.844 nan 8.230 nan 0.000 0.405 342 T N 1.213 115.630 114.554 -0.228 0.000 2.942 342 T HA 0.783 5.128 4.350 -0.009 0.000 0.289 342 T C -0.517 174.135 174.700 -0.080 0.000 1.044 342 T CA -1.001 61.039 62.100 -0.100 0.000 1.023 342 T CB 2.267 71.106 68.868 -0.050 0.000 1.123 342 T HN 0.347 nan 8.240 nan 0.000 0.512 343 R N 0.511 121.010 120.500 -0.001 0.000 2.795 343 R HA 0.609 4.944 4.340 -0.009 0.000 0.268 343 R C -1.134 175.225 176.300 0.097 0.000 1.041 343 R CA -1.040 55.083 56.100 0.038 0.000 0.927 343 R CB 1.881 32.202 30.300 0.035 0.000 1.235 343 R HN 0.715 nan 8.270 nan 0.000 0.463 344 R N 0.411 120.999 120.500 0.147 0.000 2.539 344 R HA 0.540 4.874 4.340 -0.009 0.000 0.295 344 R C -0.962 175.424 176.300 0.142 0.000 1.138 344 R CA -0.328 55.848 56.100 0.127 0.000 0.936 344 R CB 1.454 31.791 30.300 0.062 0.000 1.182 344 R HN 0.791 nan 8.270 nan 0.000 0.459 345 A N 3.000 125.906 122.820 0.142 0.000 2.531 345 A HA 0.151 4.466 4.320 -0.009 0.000 0.236 345 A C 0.713 178.249 177.584 -0.081 0.000 1.062 345 A CA -0.228 51.784 52.037 -0.042 0.000 0.760 345 A CB 0.755 19.722 19.000 -0.054 0.000 0.995 345 A HN 0.618 nan 8.150 nan 0.000 0.501 346 V N 1.599 121.415 119.914 -0.163 0.000 2.788 346 V HA 0.267 4.381 4.120 -0.009 0.000 0.241 346 V C 1.317 177.346 176.094 -0.108 0.000 1.083 346 V CA 1.549 63.794 62.300 -0.093 0.000 1.103 346 V CB -0.458 31.318 31.823 -0.079 0.000 0.800 346 V HN 1.051 nan 8.190 nan 0.000 0.476 347 A N 0.643 123.360 122.820 -0.173 0.000 2.340 347 A HA 0.569 4.883 4.320 -0.009 0.000 0.331 347 A C -0.027 177.476 177.584 -0.135 0.000 1.140 347 A CA -0.611 51.345 52.037 -0.136 0.000 0.801 347 A CB 0.491 19.410 19.000 -0.134 0.000 1.234 347 A HN 0.515 nan 8.150 nan 0.000 0.469 348 E N 1.605 121.755 120.200 -0.084 0.000 2.606 348 E HA 0.211 4.556 4.350 -0.009 0.000 0.248 348 E C 0.043 176.600 176.600 -0.071 0.000 1.005 348 E CA 0.364 56.724 56.400 -0.066 0.000 0.946 348 E CB 0.310 29.988 29.700 -0.038 0.000 0.928 348 E HN 0.362 nan 8.360 nan 0.000 0.494 349 S N 2.280 117.940 115.700 -0.068 0.000 2.766 349 S HA 0.262 4.727 4.470 -0.009 0.000 0.307 349 S C -0.904 173.700 174.600 0.005 0.000 1.121 349 S CA -0.816 57.363 58.200 -0.035 0.000 0.980 349 S CB 1.505 64.702 63.200 -0.006 0.000 1.159 349 S HN 0.665 nan 8.310 nan 0.000 0.546 350 E N 1.527 121.745 120.200 0.031 0.000 2.272 350 E HA 0.540 4.884 4.350 -0.009 0.000 0.269 350 E C -2.157 174.484 176.600 0.069 0.000 0.877 350 E CA -0.636 55.793 56.400 0.049 0.000 0.755 350 E CB 1.501 31.217 29.700 0.027 0.000 1.192 350 E HN 0.441 nan 8.360 nan 0.000 0.422 351 L N 2.461 123.743 121.223 0.098 0.000 2.505 351 L HA 0.455 4.789 4.340 -0.009 0.000 0.266 351 L C 0.561 177.520 176.870 0.148 0.000 0.954 351 L CA 0.663 55.553 54.840 0.083 0.000 0.852 351 L CB 2.007 44.091 42.059 0.040 0.000 1.282 351 L HN 0.851 nan 8.230 nan 0.000 0.403 352 G N 2.707 111.571 108.800 0.107 0.000 2.379 352 G HA2 -0.007 3.947 3.960 -0.009 0.000 0.297 352 G HA3 -0.007 3.947 3.960 -0.009 0.000 0.297 352 G C 1.024 176.062 174.900 0.229 0.000 1.004 352 G CA 0.959 46.153 45.100 0.156 0.000 0.921 352 G HN 1.892 nan 8.290 nan 0.000 0.511 353 G N -2.763 106.104 108.800 0.112 0.000 2.168 353 G HA2 -0.287 3.668 3.960 -0.009 0.000 0.263 353 G HA3 -0.287 3.668 3.960 -0.009 0.000 0.263 353 G C 0.288 175.146 174.900 -0.069 0.000 0.977 353 G CA 0.961 46.060 45.100 -0.001 0.000 0.659 353 G HN 1.221 nan 8.290 nan 0.000 0.533 354 Y N -0.539 119.771 120.300 0.016 0.000 2.419 354 Y HA 0.645 5.189 4.550 -0.009 0.000 0.328 354 Y C 0.916 176.828 175.900 0.020 0.000 1.162 354 Y CA -1.066 57.051 58.100 0.029 0.000 1.174 354 Y CB 1.063 39.551 38.460 0.047 0.000 1.228 354 Y HN 0.125 nan 8.280 nan 0.000 0.473 355 R N 2.614 123.222 120.500 0.179 0.000 2.196 355 R HA 0.404 4.738 4.340 -0.009 0.000 0.340 355 R C -1.569 174.768 176.300 0.060 0.000 1.043 355 R CA -0.557 55.599 56.100 0.093 0.000 0.883 355 R CB -0.055 30.286 30.300 0.067 0.000 1.078 355 R HN 0.555 nan 8.270 nan 0.000 0.462 356 I N 8.386 128.946 120.570 -0.016 0.000 2.281 356 I HA 0.243 4.407 4.170 -0.009 0.000 0.293 356 I C -2.055 173.960 176.117 -0.170 0.000 1.085 356 I CA -2.868 58.325 61.300 -0.178 0.000 1.257 356 I CB 1.200 39.130 38.000 -0.117 0.000 1.430 356 I HN 0.495 nan 8.210 nan 0.000 0.489 357 P HA 0.002 nan 4.420 nan 0.000 0.261 357 P C -0.153 177.093 177.300 -0.089 0.000 1.173 357 P CA 0.142 63.198 63.100 -0.074 0.000 0.760 357 P CB 0.448 32.159 31.700 0.018 0.000 0.783 358 A N 4.182 126.970 122.820 -0.053 0.000 2.475 358 A HA 0.384 4.698 4.320 -0.009 0.000 0.239 358 A C 1.801 179.368 177.584 -0.029 0.000 1.087 358 A CA 0.624 52.627 52.037 -0.057 0.000 0.779 358 A CB -1.208 17.765 19.000 -0.046 0.000 1.036 358 A HN 0.859 nan 8.150 nan 0.000 0.506 359 G N -0.935 107.849 108.800 -0.027 0.000 2.205 359 G HA2 0.042 3.996 3.960 -0.009 0.000 0.269 359 G HA3 0.042 3.996 3.960 -0.009 0.000 0.269 359 G C 0.799 175.717 174.900 0.030 0.000 0.977 359 G CA 1.225 46.327 45.100 0.003 0.000 0.652 359 G HN 2.213 nan 8.290 nan 0.000 0.539 360 A N -0.432 122.397 122.820 0.015 0.000 2.387 360 A HA 0.521 4.836 4.320 -0.009 0.000 0.251 360 A C 0.081 177.726 177.584 0.101 0.000 1.113 360 A CA 0.861 52.931 52.037 0.056 0.000 0.794 360 A CB 0.262 19.167 19.000 -0.157 0.000 1.069 360 A HN 0.392 nan 8.150 nan 0.000 0.506 361 D N -0.248 120.270 120.400 0.198 0.000 2.549 361 D HA 0.508 5.143 4.640 -0.009 0.000 0.251 361 D C -0.560 175.884 176.300 0.241 0.000 1.153 361 D CA 0.058 54.166 54.000 0.180 0.000 0.861 361 D CB 1.491 42.382 40.800 0.152 0.000 1.207 361 D HN 0.564 nan 8.370 nan 0.000 0.543 362 I N 1.890 122.556 120.570 0.159 0.000 2.750 362 I HA 0.670 4.834 4.170 -0.009 0.000 0.308 362 I C -1.387 174.791 176.117 0.100 0.000 1.016 362 I CA -0.951 60.436 61.300 0.145 0.000 1.098 362 I CB 1.612 39.640 38.000 0.045 0.000 1.279 362 I HN 0.428 nan 8.210 nan 0.000 0.454 363 I N 6.350 126.983 120.570 0.104 0.000 2.752 363 I HA 0.486 4.650 4.170 -0.009 0.000 0.295 363 I C -1.861 174.330 176.117 0.123 0.000 1.219 363 I CA -0.562 60.779 61.300 0.069 0.000 1.030 363 I CB 2.115 40.132 38.000 0.028 0.000 1.259 363 I HN 0.766 nan 8.210 nan 0.000 0.423 364 Y N 3.585 123.840 120.300 -0.075 0.000 2.638 364 Y HA 0.724 5.268 4.550 -0.010 0.000 0.339 364 Y C -1.191 174.679 175.900 -0.049 0.000 1.084 364 Y CA -1.114 56.950 58.100 -0.060 0.000 1.068 364 Y CB 1.635 40.051 38.460 -0.073 0.000 1.294 364 Y HN 0.381 nan 8.280 nan 0.000 0.480 365 S N 2.270 117.994 115.700 0.039 0.000 2.542 365 S HA 0.431 4.895 4.470 -0.009 0.000 0.245 365 S C -2.461 172.216 174.600 0.129 0.000 1.325 365 S CA -1.567 56.647 58.200 0.023 0.000 1.176 365 S CB 0.813 64.121 63.200 0.180 0.000 1.045 365 S HN 0.580 nan 8.310 nan 0.000 0.481 366 P HA -0.126 nan 4.420 nan 0.000 0.221 366 P C 0.924 178.313 177.300 0.147 0.000 1.145 366 P CA 0.690 63.878 63.100 0.147 0.000 0.795 366 P CB -0.097 31.658 31.700 0.091 0.000 0.775 367 Y N 1.262 121.633 120.300 0.119 0.000 2.014 367 Y HA -0.302 4.243 4.550 -0.009 0.000 0.270 367 Y C 2.401 178.352 175.900 0.084 0.000 1.145 367 Y CA 2.007 60.182 58.100 0.124 0.000 1.106 367 Y CB -1.253 37.348 38.460 0.235 0.000 0.968 367 Y HN -0.079 nan 8.280 nan 0.000 0.484 368 A N 0.646 123.469 122.820 0.005 0.000 1.892 368 A HA -0.230 4.084 4.320 -0.009 0.000 0.218 368 A C 2.433 179.986 177.584 -0.052 0.000 1.188 368 A CA 2.264 54.258 52.037 -0.072 0.000 0.631 368 A CB -1.371 17.689 19.000 0.100 0.000 0.822 368 A HN 0.650 nan 8.150 nan 0.000 0.447 369 I N -0.523 120.077 120.570 0.050 0.000 2.118 369 I HA -0.362 3.803 4.170 -0.009 0.000 0.241 369 I C 2.710 178.912 176.117 0.141 0.000 1.070 369 I CA 1.974 63.338 61.300 0.106 0.000 1.327 369 I CB -0.454 37.644 38.000 0.164 0.000 1.034 369 I HN 0.465 nan 8.210 nan 0.000 0.405 370 Q N 0.052 119.899 119.800 0.078 0.000 2.439 370 Q HA -0.125 4.209 4.340 -0.009 0.000 0.211 370 Q C 1.298 177.171 176.000 -0.212 0.000 0.978 370 Q CA 0.851 56.680 55.803 0.044 0.000 0.897 370 Q CB -0.011 28.707 28.738 -0.033 0.000 0.956 370 Q HN 0.450 nan 8.270 nan 0.000 0.483 371 R N 0.466 120.848 120.500 -0.196 0.000 2.613 371 R HA 0.102 4.437 4.340 -0.009 0.000 0.361 371 R C -0.643 175.606 176.300 -0.086 0.000 1.072 371 R CA -0.195 55.756 56.100 -0.248 0.000 1.089 371 R CB 0.602 30.647 30.300 -0.426 0.000 1.343 371 R HN 0.027 nan 8.270 nan 0.000 0.571 372 D N 0.782 121.219 120.400 0.061 0.000 2.277 372 D HA 0.113 4.747 4.640 -0.009 0.000 0.249 372 D C -1.760 174.611 176.300 0.119 0.000 1.134 372 D CA -2.457 51.588 54.000 0.074 0.000 0.863 372 D CB 1.845 42.691 40.800 0.077 0.000 1.143 372 D HN -0.154 nan 8.370 nan 0.000 0.458 373 P HA -0.179 nan 4.420 nan 0.000 0.213 373 P C 0.939 178.266 177.300 0.043 0.000 1.170 373 P CA 1.842 64.972 63.100 0.050 0.000 0.902 373 P CB 0.204 31.916 31.700 0.020 0.000 0.789 374 K N -0.705 119.707 120.400 0.020 0.000 2.242 374 K HA -0.123 4.191 4.320 -0.009 0.000 0.206 374 K C 1.982 178.559 176.600 -0.038 0.000 1.045 374 K CA 1.634 57.918 56.287 -0.005 0.000 0.930 374 K CB -0.528 31.970 32.500 -0.003 0.000 0.726 374 K HN 0.140 nan 8.250 nan 0.000 0.462 375 S N -0.960 114.723 115.700 -0.030 0.000 2.492 375 S HA 0.095 4.559 4.470 -0.009 0.000 0.218 375 S C -0.204 174.113 174.600 -0.472 0.000 1.016 375 S CA 0.181 58.255 58.200 -0.210 0.000 0.916 375 S CB 0.180 63.282 63.200 -0.163 0.000 0.791 375 S HN 0.173 nan 8.310 nan 0.000 0.513 376 Y N 0.645 120.907 120.300 -0.062 0.000 2.512 376 Y HA 0.372 4.917 4.550 -0.010 0.000 0.348 376 Y C 0.566 176.412 175.900 -0.090 0.000 0.990 376 Y CA -1.258 56.784 58.100 -0.097 0.000 1.033 376 Y CB 1.068 39.463 38.460 -0.109 0.000 1.259 376 Y HN -0.175 nan 8.280 nan 0.000 0.461 377 D N 0.190 120.614 120.400 0.039 0.000 2.087 377 D HA -0.120 4.515 4.640 -0.009 0.000 0.203 377 D C 0.012 176.314 176.300 0.004 0.000 0.976 377 D CA 1.584 55.581 54.000 -0.005 0.000 0.865 377 D CB 0.021 40.797 40.800 -0.040 0.000 1.005 377 D HN 0.540 nan 8.370 nan 0.000 0.449 378 D N 0.951 121.342 120.400 -0.014 0.000 2.845 378 D HA -0.009 4.625 4.640 -0.009 0.000 0.235 378 D C 0.868 177.150 176.300 -0.029 0.000 1.158 378 D CA -0.055 53.931 54.000 -0.023 0.000 0.990 378 D CB 0.081 40.858 40.800 -0.038 0.000 1.094 378 D HN 0.076 nan 8.370 nan 0.000 0.486 379 N N 1.187 119.884 118.700 -0.005 0.000 2.231 379 N HA -0.252 4.482 4.740 -0.009 0.000 0.199 379 N C 0.963 176.426 175.510 -0.079 0.000 0.965 379 N CA 1.615 54.654 53.050 -0.019 0.000 0.919 379 N CB -0.009 38.477 38.487 -0.002 0.000 1.067 379 N HN 0.367 nan 8.380 nan 0.000 0.583 380 L N -1.008 120.185 121.223 -0.050 0.000 2.906 380 L HA 0.291 4.625 4.340 -0.009 0.000 0.255 380 L C 0.161 177.026 176.870 -0.009 0.000 1.166 380 L CA -0.281 54.533 54.840 -0.044 0.000 0.977 380 L CB 0.246 42.292 42.059 -0.021 0.000 1.313 380 L HN 0.087 nan 8.230 nan 0.000 0.549 381 E N 1.391 121.581 120.200 -0.017 0.000 2.194 381 E HA 0.078 4.423 4.350 -0.009 0.000 0.284 381 E C -0.947 175.661 176.600 0.014 0.000 1.035 381 E CA -0.644 55.767 56.400 0.018 0.000 0.836 381 E CB 1.085 30.785 29.700 -0.000 0.000 1.070 381 E HN -0.039 nan 8.360 nan 0.000 0.401 382 F N 4.415 124.320 119.950 -0.074 0.000 2.541 382 F HA 0.045 4.567 4.527 -0.010 0.000 0.378 382 F C 0.056 175.752 175.800 -0.173 0.000 1.068 382 F CA 0.299 58.209 58.000 -0.151 0.000 1.199 382 F CB 0.414 39.249 39.000 -0.275 0.000 1.091 382 F HN 0.213 nan 8.300 nan 0.000 0.555 383 D N 8.501 128.504 120.400 -0.662 0.000 2.411 383 D HA 0.246 4.880 4.640 -0.009 0.000 0.239 383 D C -2.300 173.683 176.300 -0.528 0.000 1.307 383 D CA -1.656 52.056 54.000 -0.481 0.000 0.930 383 D CB 1.525 42.170 40.800 -0.259 0.000 1.395 383 D HN 0.162 nan 8.370 nan 0.000 0.536 384 P HA -0.038 nan 4.420 nan 0.000 0.223 384 P C 0.461 177.759 177.300 -0.003 0.000 1.144 384 P CA 0.835 63.744 63.100 -0.319 0.000 0.783 384 P CB 0.379 31.790 31.700 -0.482 0.000 0.771 385 D N -1.363 118.999 120.400 -0.063 0.000 2.328 385 D HA 0.024 4.659 4.640 -0.009 0.000 0.221 385 D C 1.645 177.850 176.300 -0.158 0.000 1.072 385 D CA 0.183 54.172 54.000 -0.019 0.000 0.850 385 D CB -0.026 40.796 40.800 0.037 0.000 0.922 385 D HN 0.376 nan 8.370 nan 0.000 0.516 386 R N -0.379 119.882 120.500 -0.398 0.000 2.323 386 R HA -0.003 4.331 4.340 -0.009 0.000 0.198 386 R C 0.773 176.635 176.300 -0.729 0.000 0.988 386 R CA 0.201 55.963 56.100 -0.563 0.000 1.041 386 R CB -0.551 29.318 30.300 -0.720 0.000 0.926 386 R HN 0.110 nan 8.270 nan 0.000 0.476 387 W N 1.381 122.657 121.300 -0.039 0.000 3.305 387 W HA 0.364 5.019 4.660 -0.009 0.000 0.392 387 W C -0.375 176.133 176.519 -0.018 0.000 1.121 387 W CA -0.882 56.446 57.345 -0.028 0.000 1.909 387 W CB 0.383 29.813 29.460 -0.049 0.000 1.065 387 W HN -0.106 nan 8.180 nan 0.000 0.714 388 L N 2.167 123.423 121.223 0.054 0.000 2.331 388 L HA 0.155 4.489 4.340 -0.009 0.000 0.278 388 L C -0.904 175.987 176.870 0.035 0.000 1.106 388 L CA -1.756 53.114 54.840 0.050 0.000 0.824 388 L CB 1.006 43.071 42.059 0.011 0.000 1.142 388 L HN -0.251 nan 8.230 nan 0.000 0.443 389 P HA -0.325 nan 4.420 nan 0.000 0.229 389 P C 1.303 178.607 177.300 0.007 0.000 1.147 389 P CA 1.631 64.750 63.100 0.031 0.000 0.949 389 P CB 0.255 31.970 31.700 0.025 0.000 0.786 390 E N -1.008 119.188 120.200 -0.006 0.000 2.038 390 E HA -0.233 4.111 4.350 -0.009 0.000 0.195 390 E C 2.222 178.795 176.600 -0.044 0.000 1.000 390 E CA 1.232 57.618 56.400 -0.023 0.000 0.803 390 E CB -0.220 29.465 29.700 -0.023 0.000 0.750 390 E HN 0.049 nan 8.360 nan 0.000 0.448 391 R N -0.493 119.969 120.500 -0.065 0.000 2.153 391 R HA 0.016 4.350 4.340 -0.009 0.000 0.218 391 R C 2.252 178.475 176.300 -0.128 0.000 1.072 391 R CA 0.701 56.734 56.100 -0.111 0.000 0.990 391 R CB -0.084 30.125 30.300 -0.153 0.000 0.889 391 R HN 0.203 nan 8.270 nan 0.000 0.452 392 A N 0.967 123.744 122.820 -0.070 0.000 1.883 392 A HA -0.169 4.146 4.320 -0.009 0.000 0.217 392 A C 2.248 179.827 177.584 -0.008 0.000 1.186 392 A CA 1.869 53.907 52.037 0.003 0.000 0.624 392 A CB -0.627 18.436 19.000 0.104 0.000 0.822 392 A HN 0.404 nan 8.150 nan 0.000 0.444 393 A N -0.536 122.271 122.820 -0.022 0.000 2.119 393 A HA -0.105 4.210 4.320 -0.009 0.000 0.217 393 A C 1.869 179.415 177.584 -0.063 0.000 1.153 393 A CA 1.195 53.213 52.037 -0.032 0.000 0.692 393 A CB -0.603 18.382 19.000 -0.025 0.000 0.799 393 A HN 0.579 nan 8.150 nan 0.000 0.458 394 N N 0.178 118.825 118.700 -0.088 0.000 2.223 394 N HA -0.077 4.657 4.740 -0.009 0.000 0.185 394 N C 0.167 175.581 175.510 -0.159 0.000 1.016 394 N CA 0.841 53.823 53.050 -0.114 0.000 0.863 394 N CB -0.052 38.358 38.487 -0.128 0.000 0.983 394 N HN 0.250 nan 8.380 nan 0.000 0.429 395 V N 3.458 123.257 119.914 -0.191 0.000 2.461 395 V HA 0.167 4.281 4.120 -0.009 0.000 0.275 395 V C -1.825 174.162 176.094 -0.178 0.000 1.047 395 V CA -1.333 60.799 62.300 -0.281 0.000 0.955 395 V CB 0.938 32.577 31.823 -0.307 0.000 0.988 395 V HN 0.084 nan 8.190 nan 0.000 0.471 396 P HA -0.055 nan 4.420 nan 0.000 0.271 396 P C 0.881 178.134 177.300 -0.079 0.000 1.197 396 P CA 0.251 63.290 63.100 -0.101 0.000 0.777 396 P CB 0.554 32.201 31.700 -0.089 0.000 0.827 397 K N 0.782 121.142 120.400 -0.067 0.000 1.991 397 K HA -0.176 4.138 4.320 -0.009 0.000 0.212 397 K C 0.745 177.106 176.600 -0.398 0.000 1.049 397 K CA 1.884 58.048 56.287 -0.205 0.000 0.932 397 K CB -0.340 32.068 32.500 -0.152 0.000 0.717 397 K HN 0.506 nan 8.250 nan 0.000 0.441 398 Y N -0.698 119.603 120.300 0.002 0.000 2.801 398 Y HA 0.292 4.837 4.550 -0.010 0.000 0.318 398 Y C 0.888 176.813 175.900 0.042 0.000 1.073 398 Y CA -0.471 57.638 58.100 0.016 0.000 1.360 398 Y CB 0.525 38.975 38.460 -0.018 0.000 1.220 398 Y HN 0.058 nan 8.280 nan 0.000 0.536 399 A N 0.009 122.893 122.820 0.107 0.000 2.251 399 A HA 0.267 4.581 4.320 -0.009 0.000 0.209 399 A C 0.634 178.375 177.584 0.262 0.000 1.187 399 A CA 0.450 52.573 52.037 0.143 0.000 0.823 399 A CB 0.039 19.034 19.000 -0.009 0.000 0.846 399 A HN 0.298 nan 8.150 nan 0.000 0.486 400 M N 0.453 120.177 119.600 0.206 0.000 2.299 400 M HA 0.349 4.823 4.480 -0.009 0.000 0.210 400 M C -2.024 174.337 176.300 0.102 0.000 0.981 400 M CA -0.324 55.096 55.300 0.200 0.000 1.014 400 M CB 0.943 33.722 32.600 0.298 0.000 2.651 400 M HN -0.084 nan 8.290 nan 0.000 0.426 401 K N 4.373 124.853 120.400 0.132 0.000 2.803 401 K HA 0.370 4.685 4.320 -0.009 0.000 0.229 401 K C -2.527 174.177 176.600 0.172 0.000 1.084 401 K CA -1.255 55.128 56.287 0.160 0.000 1.063 401 K CB 1.592 34.210 32.500 0.196 0.000 1.254 401 K HN 0.243 nan 8.250 nan 0.000 0.551 402 P HA -0.175 nan 4.420 nan 0.000 0.217 402 P C -0.044 177.133 177.300 -0.204 0.000 1.151 402 P CA 1.482 64.513 63.100 -0.115 0.000 0.849 402 P CB 0.149 31.674 31.700 -0.291 0.000 0.787 403 F N -2.532 117.422 119.950 0.005 0.000 2.525 403 F HA 0.471 4.993 4.527 -0.009 0.000 0.346 403 F C 1.281 177.101 175.800 0.033 0.000 1.072 403 F CA -1.002 56.998 58.000 0.000 0.000 1.033 403 F CB -0.204 38.776 39.000 -0.034 0.000 1.324 403 F HN -0.416 nan 8.300 nan 0.000 0.491 404 S N -0.838 114.996 115.700 0.223 0.000 2.713 404 S HA 0.713 5.177 4.470 -0.009 0.000 0.296 404 S C 0.723 175.400 174.600 0.128 0.000 1.114 404 S CA -0.014 58.288 58.200 0.170 0.000 0.997 404 S CB 1.373 64.653 63.200 0.134 0.000 1.249 404 S HN 0.684 nan 8.310 nan 0.000 0.534 405 A N 0.051 122.932 122.820 0.101 0.000 2.013 405 A HA 0.521 4.836 4.320 -0.009 0.000 0.204 405 A C 1.260 178.862 177.584 0.031 0.000 1.262 405 A CA 0.578 52.667 52.037 0.087 0.000 0.800 405 A CB -1.081 18.018 19.000 0.165 0.000 0.909 405 A HN 0.757 nan 8.150 nan 0.000 0.472 406 G N -0.648 108.152 108.800 0.001 0.000 2.593 406 G HA2 0.176 4.130 3.960 -0.009 0.000 0.279 406 G HA3 0.176 4.130 3.960 -0.009 0.000 0.279 406 G C 0.828 175.721 174.900 -0.011 0.000 1.329 406 G CA -0.077 45.015 45.100 -0.013 0.000 1.036 406 G HN 0.116 nan 8.290 nan 0.000 0.555 407 K N -0.281 120.105 120.400 -0.024 0.000 2.442 407 K HA -0.005 4.310 4.320 -0.009 0.000 0.198 407 K C 1.203 177.783 176.600 -0.034 0.000 1.042 407 K CA 0.245 56.516 56.287 -0.027 0.000 0.958 407 K CB -0.010 32.466 32.500 -0.040 0.000 0.766 407 K HN 0.251 nan 8.250 nan 0.000 0.474 408 R N 2.010 122.487 120.500 -0.039 0.000 3.701 408 R HA 0.082 4.417 4.340 -0.009 0.000 0.210 408 R C 0.050 176.339 176.300 -0.018 0.000 1.598 408 R CA 0.060 56.132 56.100 -0.047 0.000 1.427 408 R CB 0.252 30.510 30.300 -0.071 0.000 1.339 408 R HN 0.060 nan 8.270 nan 0.000 0.720 409 K N -0.056 120.340 120.400 -0.007 0.000 2.346 409 K HA 0.270 4.585 4.320 -0.009 0.000 0.238 409 K C -0.886 175.724 176.600 0.017 0.000 1.039 409 K CA -0.671 55.627 56.287 0.018 0.000 0.861 409 K CB 2.032 34.532 32.500 -0.001 0.000 1.278 409 K HN 0.245 nan 8.250 nan 0.000 0.460 410 C N 4.036 123.376 119.300 0.068 0.000 2.192 410 C HA 0.383 4.838 4.460 -0.009 0.000 0.337 410 C C -1.561 173.383 174.990 -0.078 0.000 1.103 410 C CA -2.111 56.959 59.018 0.086 0.000 1.581 410 C CB -0.306 27.712 27.740 0.463 0.000 2.070 410 C HN 0.647 nan 8.230 nan 0.000 0.485 411 P HA -0.090 nan 4.420 nan 0.000 0.219 411 P C 1.019 178.113 177.300 -0.343 0.000 1.144 411 P CA 1.354 64.287 63.100 -0.280 0.000 0.806 411 P CB 0.158 31.605 31.700 -0.421 0.000 0.771 412 S N -0.652 114.848 115.700 -0.332 0.000 2.582 412 S HA -0.012 4.452 4.470 -0.009 0.000 0.234 412 S C 1.161 175.854 174.600 0.155 0.000 0.961 412 S CA -0.026 58.201 58.200 0.046 0.000 0.953 412 S CB -0.581 62.732 63.200 0.189 0.000 0.800 412 S HN 0.347 nan 8.310 nan 0.000 0.471 413 D N 1.999 122.263 120.400 -0.227 0.000 2.133 413 D HA -0.251 4.383 4.640 -0.009 0.000 0.195 413 D C 1.361 177.477 176.300 -0.307 0.000 0.997 413 D CA 1.675 55.188 54.000 -0.812 0.000 0.840 413 D CB -0.529 39.465 40.800 -1.343 0.000 0.947 413 D HN 0.421 nan 8.370 nan 0.000 0.452 414 H N -0.584 118.482 119.070 -0.006 0.000 2.333 414 H HA 0.029 4.580 4.556 -0.008 0.000 0.302 414 H C 2.102 177.585 175.328 0.259 0.000 1.075 414 H CA 0.881 56.995 56.048 0.110 0.000 1.348 414 H CB -1.000 28.858 29.762 0.160 0.000 1.393 414 H HN 0.270 nan 8.280 nan 0.000 0.509 415 F N 1.745 121.895 119.950 0.334 0.000 2.161 415 F HA -0.257 4.265 4.527 -0.009 0.000 0.300 415 F C 2.385 178.334 175.800 0.249 0.000 1.089 415 F CA 1.217 59.426 58.000 0.349 0.000 1.282 415 F CB 0.163 39.443 39.000 0.467 0.000 1.010 415 F HN -0.004 nan 8.300 nan 0.000 0.485 416 S N 0.491 116.275 115.700 0.139 0.000 2.335 416 S HA -0.166 4.299 4.470 -0.009 0.000 0.217 416 S C 1.872 176.477 174.600 0.008 0.000 1.032 416 S CA 1.361 59.568 58.200 0.011 0.000 0.985 416 S CB -0.326 63.006 63.200 0.220 0.000 0.896 416 S HN 0.262 nan 8.310 nan 0.000 0.445 417 M N 1.732 121.392 119.600 0.099 0.000 2.195 417 M HA -0.075 4.399 4.480 -0.009 0.000 0.260 417 M C 2.314 178.612 176.300 -0.004 0.000 1.066 417 M CA 1.313 56.645 55.300 0.053 0.000 1.089 417 M CB -1.859 30.778 32.600 0.061 0.000 1.377 417 M HN 0.386 nan 8.290 nan 0.000 0.411 418 A N 0.703 123.532 122.820 0.015 0.000 1.845 418 A HA -0.224 4.091 4.320 -0.009 0.000 0.215 418 A C 2.134 179.693 177.584 -0.043 0.000 1.195 418 A CA 1.965 54.000 52.037 -0.003 0.000 0.616 418 A CB -0.896 18.201 19.000 0.161 0.000 0.832 418 A HN 0.690 nan 8.150 nan 0.000 0.443 419 Q N -0.303 119.432 119.800 -0.107 0.000 2.167 419 Q HA -0.062 4.273 4.340 -0.009 0.000 0.202 419 Q C 1.956 177.890 176.000 -0.110 0.000 0.970 419 Q CA 1.508 57.228 55.803 -0.138 0.000 0.855 419 Q CB -0.433 28.144 28.738 -0.269 0.000 0.911 419 Q HN 0.612 nan 8.270 nan 0.000 0.438 420 L N 0.770 121.939 121.223 -0.090 0.000 2.056 420 L HA -0.106 4.228 4.340 -0.009 0.000 0.207 420 L C 2.472 179.310 176.870 -0.053 0.000 1.078 420 L CA 1.605 56.408 54.840 -0.060 0.000 0.749 420 L CB -0.666 41.374 42.059 -0.032 0.000 0.901 420 L HN 0.289 nan 8.230 nan 0.000 0.433 421 T N 0.335 114.857 114.554 -0.054 0.000 2.746 421 T HA -0.141 4.203 4.350 -0.009 0.000 0.267 421 T C 1.989 176.653 174.700 -0.060 0.000 1.039 421 T CA 1.056 63.123 62.100 -0.054 0.000 1.142 421 T CB -0.161 68.665 68.868 -0.069 0.000 0.866 421 T HN 0.132 nan 8.240 nan 0.000 0.444 422 L N 0.499 121.678 121.223 -0.074 0.000 1.943 422 L HA -0.084 4.251 4.340 -0.009 0.000 0.215 422 L C 2.459 179.266 176.870 -0.104 0.000 1.074 422 L CA 1.519 56.307 54.840 -0.087 0.000 0.759 422 L CB -0.483 41.526 42.059 -0.083 0.000 0.888 422 L HN 0.258 nan 8.230 nan 0.000 0.433 423 I N -0.766 119.738 120.570 -0.109 0.000 2.300 423 I HA -0.349 3.815 4.170 -0.009 0.000 0.252 423 I C 2.387 178.463 176.117 -0.067 0.000 1.119 423 I CA 1.631 62.864 61.300 -0.111 0.000 1.384 423 I CB -0.630 37.307 38.000 -0.105 0.000 1.062 423 I HN 0.384 nan 8.210 nan 0.000 0.426 424 T N 0.546 115.076 114.554 -0.041 0.000 2.812 424 T HA -0.060 4.285 4.350 -0.009 0.000 0.264 424 T C 2.082 176.795 174.700 0.021 0.000 1.042 424 T CA 1.337 63.433 62.100 -0.007 0.000 1.140 424 T CB -0.187 68.681 68.868 0.001 0.000 0.870 424 T HN 0.488 nan 8.240 nan 0.000 0.445 425 A N 1.567 124.392 122.820 0.008 0.000 1.873 425 A HA 0.176 4.490 4.320 -0.009 0.000 0.215 425 A C 2.649 180.257 177.584 0.039 0.000 1.186 425 A CA 1.846 53.902 52.037 0.033 0.000 0.616 425 A CB -1.225 17.785 19.000 0.017 0.000 0.823 425 A HN 0.484 nan 8.150 nan 0.000 0.442 426 A N -0.208 122.603 122.820 -0.016 0.000 1.873 426 A HA -0.133 4.181 4.320 -0.009 0.000 0.218 426 A C 2.237 179.846 177.584 0.042 0.000 1.193 426 A CA 1.735 53.763 52.037 -0.016 0.000 0.629 426 A CB -0.752 18.135 19.000 -0.188 0.000 0.826 426 A HN 0.477 nan 8.150 nan 0.000 0.447 427 L N -0.969 120.296 121.223 0.071 0.000 1.976 427 L HA -0.194 4.141 4.340 -0.009 0.000 0.209 427 L C 3.160 180.243 176.870 0.355 0.000 1.071 427 L CA 1.225 56.211 54.840 0.244 0.000 0.746 427 L CB -0.617 41.584 42.059 0.237 0.000 0.890 427 L HN 0.440 nan 8.230 nan 0.000 0.432 428 A N -0.694 122.287 122.820 0.268 0.000 1.948 428 A HA -0.240 4.074 4.320 -0.009 0.000 0.220 428 A C 2.329 180.039 177.584 0.210 0.000 1.177 428 A CA 2.477 54.685 52.037 0.285 0.000 0.636 428 A CB -1.002 18.125 19.000 0.212 0.000 0.815 428 A HN 0.441 nan 8.150 nan 0.000 0.449 429 T N -0.582 114.054 114.554 0.137 0.000 2.595 429 T HA -0.166 4.179 4.350 -0.009 0.000 0.264 429 T C 2.023 176.749 174.700 0.043 0.000 1.058 429 T CA 1.792 63.944 62.100 0.087 0.000 1.166 429 T CB -0.187 68.722 68.868 0.067 0.000 0.863 429 T HN 0.612 nan 8.240 nan 0.000 0.415 430 K N -0.749 119.627 120.400 -0.041 0.000 2.217 430 K HA 0.013 4.327 4.320 -0.009 0.000 0.202 430 K C 0.364 176.822 176.600 -0.236 0.000 1.051 430 K CA 0.839 56.997 56.287 -0.215 0.000 0.952 430 K CB 0.124 32.361 32.500 -0.438 0.000 0.736 430 K HN 0.468 nan 8.250 nan 0.000 0.453 431 Y N -0.987 119.387 120.300 0.123 0.000 2.968 431 Y HA 0.459 5.004 4.550 -0.009 0.000 0.316 431 Y C -0.299 175.626 175.900 0.040 0.000 1.359 431 Y CA -1.614 56.484 58.100 -0.003 0.000 1.107 431 Y CB 1.509 39.814 38.460 -0.258 0.000 1.374 431 Y HN -0.314 nan 8.280 nan 0.000 0.621 432 R N 0.509 121.086 120.500 0.127 0.000 2.536 432 R HA 0.368 4.703 4.340 -0.009 0.000 0.269 432 R C -2.385 173.844 176.300 -0.119 0.000 1.113 432 R CA -0.452 55.725 56.100 0.129 0.000 0.948 432 R CB 1.255 31.602 30.300 0.078 0.000 1.237 432 R HN 0.461 nan 8.270 nan 0.000 0.441 433 F N 1.758 121.761 119.950 0.089 0.000 2.450 433 F HA 0.416 4.938 4.527 -0.009 0.000 0.332 433 F C 0.325 176.118 175.800 -0.012 0.000 1.093 433 F CA -0.394 57.621 58.000 0.024 0.000 1.003 433 F CB 1.899 40.920 39.000 0.035 0.000 1.151 433 F HN 0.390 nan 8.300 nan 0.000 0.474 434 E N 2.525 122.760 120.200 0.059 0.000 2.272 434 E HA 0.199 4.544 4.350 -0.009 0.000 0.269 434 E C -1.564 175.034 176.600 -0.003 0.000 0.877 434 E CA -0.826 55.580 56.400 0.009 0.000 0.755 434 E CB 1.789 31.463 29.700 -0.043 0.000 1.192 434 E HN 0.662 nan 8.360 nan 0.000 0.422 435 Q N 3.953 123.746 119.800 -0.011 0.000 2.377 435 Q HA 0.220 4.555 4.340 -0.009 0.000 0.249 435 Q C -0.578 175.398 176.000 -0.039 0.000 1.005 435 Q CA -0.604 55.184 55.803 -0.026 0.000 0.912 435 Q CB 1.110 29.831 28.738 -0.027 0.000 1.223 435 Q HN 0.493 nan 8.270 nan 0.000 0.459 436 V N 3.257 123.141 119.914 -0.051 0.000 2.832 436 V HA -0.178 3.936 4.120 -0.009 0.000 0.299 436 V C 0.704 176.773 176.094 -0.043 0.000 1.201 436 V CA 0.810 63.078 62.300 -0.052 0.000 1.325 436 V CB -0.151 31.636 31.823 -0.061 0.000 0.871 436 V HN 0.885 nan 8.190 nan 0.000 0.509 437 A N 4.477 127.274 122.820 -0.039 0.000 2.466 437 A HA 0.501 4.815 4.320 -0.009 0.000 0.238 437 A C 1.658 179.222 177.584 -0.034 0.000 1.074 437 A CA 0.439 52.456 52.037 -0.033 0.000 0.774 437 A CB -0.277 18.705 19.000 -0.030 0.000 1.015 437 A HN 2.368 nan 8.150 nan 0.000 0.498 438 G N -0.026 108.755 108.800 -0.031 0.000 2.205 438 G HA2 -0.224 3.730 3.960 -0.009 0.000 0.261 438 G HA3 -0.224 3.730 3.960 -0.009 0.000 0.261 438 G C 0.720 175.600 174.900 -0.034 0.000 0.980 438 G CA 0.814 45.894 45.100 -0.032 0.000 0.632 438 G HN 1.686 nan 8.290 nan 0.000 0.533 439 S N 0.129 115.808 115.700 -0.035 0.000 2.562 439 S HA 0.413 4.877 4.470 -0.009 0.000 0.281 439 S C 0.307 174.892 174.600 -0.024 0.000 1.333 439 S CA 0.300 58.479 58.200 -0.036 0.000 1.052 439 S CB 0.662 63.839 63.200 -0.039 0.000 0.884 439 S HN 0.634 nan 8.310 nan 0.000 0.506 440 N N 2.719 121.407 118.700 -0.020 0.000 2.621 440 N HA 0.205 4.939 4.740 -0.009 0.000 0.237 440 N C -0.652 174.877 175.510 0.031 0.000 0.997 440 N CA -0.790 52.260 53.050 -0.000 0.000 0.918 440 N CB 0.836 39.317 38.487 -0.010 0.000 1.122 440 N HN 0.630 nan 8.380 nan 0.000 0.510 441 D N 1.672 122.101 120.400 0.049 0.000 2.561 441 D HA 0.151 4.785 4.640 -0.009 0.000 0.232 441 D C -0.278 176.130 176.300 0.179 0.000 1.198 441 D CA -0.463 53.601 54.000 0.106 0.000 0.826 441 D CB -0.189 40.675 40.800 0.106 0.000 0.992 441 D HN 0.353 nan 8.370 nan 0.000 0.490 442 A N 0.252 123.170 122.820 0.163 0.000 2.309 442 A HA 0.449 4.763 4.320 -0.009 0.000 0.298 442 A C 0.190 177.958 177.584 0.307 0.000 1.165 442 A CA -0.749 51.397 52.037 0.181 0.000 0.821 442 A CB 1.213 20.273 19.000 0.100 0.000 1.102 442 A HN 0.209 nan 8.150 nan 0.000 0.500 443 V N 3.344 123.397 119.914 0.232 0.000 2.763 443 V HA 0.206 4.320 4.120 -0.009 0.000 0.306 443 V C 0.733 176.834 176.094 0.012 0.000 1.059 443 V CA 0.165 62.568 62.300 0.172 0.000 1.138 443 V CB 0.675 32.524 31.823 0.043 0.000 0.940 443 V HN 0.895 nan 8.190 nan 0.000 0.489 444 R N 5.620 125.948 120.500 -0.287 0.000 2.320 444 R HA 0.449 4.783 4.340 -0.009 0.000 0.319 444 R C -1.208 174.915 176.300 -0.294 0.000 0.969 444 R CA -0.551 55.216 56.100 -0.555 0.000 0.857 444 R CB 1.582 31.265 30.300 -1.030 0.000 1.160 444 R HN 0.619 nan 8.270 nan 0.000 0.491 445 V N 6.186 125.942 119.914 -0.263 0.000 2.387 445 V HA 0.502 4.617 4.120 -0.009 0.000 0.260 445 V C -0.021 176.005 176.094 -0.113 0.000 1.054 445 V CA 0.597 62.693 62.300 -0.341 0.000 0.967 445 V CB 0.350 31.855 31.823 -0.529 0.000 1.036 445 V HN 0.949 nan 8.190 nan 0.000 0.481 446 G N 4.904 113.703 108.800 -0.003 0.000 3.302 446 G HA2 0.317 4.271 3.960 -0.009 0.000 0.170 446 G HA3 0.317 4.271 3.960 -0.009 0.000 0.170 446 G C 0.694 175.744 174.900 0.251 0.000 1.119 446 G CA -0.178 44.982 45.100 0.101 0.000 0.826 446 G HN 0.552 nan 8.290 nan 0.000 0.646 447 I N 0.949 121.621 120.570 0.170 0.000 2.208 447 I HA -0.007 4.157 4.170 -0.009 0.000 0.245 447 I C 1.703 177.974 176.117 0.257 0.000 1.097 447 I CA 1.704 63.099 61.300 0.157 0.000 1.363 447 I CB -0.485 37.574 38.000 0.098 0.000 1.051 447 I HN 0.484 nan 8.210 nan 0.000 0.413 448 T N -1.665 113.041 114.554 0.254 0.000 2.888 448 T HA 0.583 4.927 4.350 -0.009 0.000 0.288 448 T C -0.590 174.243 174.700 0.221 0.000 1.063 448 T CA -0.791 61.485 62.100 0.293 0.000 1.010 448 T CB 1.904 70.888 68.868 0.195 0.000 1.214 448 T HN -0.031 nan 8.240 nan 0.000 0.533 449 L N 2.294 123.642 121.223 0.209 0.000 2.259 449 L HA 0.546 4.881 4.340 -0.009 0.000 0.288 449 L C 0.479 177.565 176.870 0.361 0.000 1.051 449 L CA -0.802 54.107 54.840 0.115 0.000 0.824 449 L CB 0.474 42.541 42.059 0.012 0.000 1.206 449 L HN 0.725 nan 8.230 nan 0.000 0.429 450 R N 3.010 123.576 120.500 0.111 0.000 2.888 450 R HA 0.738 5.072 4.340 -0.009 0.000 0.266 450 R C -2.943 173.193 176.300 -0.274 0.000 1.020 450 R CA -2.378 53.613 56.100 -0.182 0.000 0.963 450 R CB 0.798 30.948 30.300 -0.249 0.000 1.197 450 R HN 0.106 nan 8.270 nan 0.000 0.481 451 P HA 0.179 nan 4.420 nan 0.000 0.282 451 P C -0.477 176.697 177.300 -0.210 0.000 1.262 451 P CA -0.277 62.613 63.100 -0.351 0.000 0.773 451 P CB 0.609 31.987 31.700 -0.537 0.000 0.879 452 H N 0.982 119.996 119.070 -0.093 0.000 2.321 452 H HA -0.141 4.409 4.556 -0.009 0.000 0.295 452 H C 0.366 175.633 175.328 -0.101 0.000 1.102 452 H CA 1.950 57.945 56.048 -0.087 0.000 1.266 452 H CB 0.076 29.802 29.762 -0.060 0.000 1.363 452 H HN 0.403 nan 8.280 nan 0.000 0.492 453 D N -0.748 119.673 120.400 0.036 0.000 2.668 453 D HA 0.124 4.759 4.640 -0.009 0.000 0.247 453 D C -1.588 174.678 176.300 -0.056 0.000 1.268 453 D CA -0.396 53.587 54.000 -0.028 0.000 0.842 453 D CB 0.138 40.929 40.800 -0.015 0.000 1.399 453 D HN 0.015 nan 8.370 nan 0.000 0.530 454 L N 2.825 123.986 121.223 -0.103 0.000 2.315 454 L HA 0.514 4.848 4.340 -0.009 0.000 0.283 454 L C -1.356 175.450 176.870 -0.106 0.000 1.089 454 L CA 0.068 54.843 54.840 -0.108 0.000 0.833 454 L CB 0.449 42.407 42.059 -0.167 0.000 1.170 454 L HN 0.298 nan 8.230 nan 0.000 0.442 455 L N 6.954 128.125 121.223 -0.086 0.000 2.325 455 L HA 0.704 5.039 4.340 -0.009 0.000 0.281 455 L C -0.597 176.220 176.870 -0.088 0.000 1.004 455 L CA -0.834 53.950 54.840 -0.093 0.000 0.823 455 L CB 1.687 43.701 42.059 -0.076 0.000 1.236 455 L HN 0.544 nan 8.230 nan 0.000 0.415 456 V N 0.902 120.750 119.914 -0.111 0.000 3.007 456 V HA 0.652 4.766 4.120 -0.009 0.000 0.311 456 V C -0.774 175.251 176.094 -0.114 0.000 1.120 456 V CA -0.899 61.360 62.300 -0.068 0.000 0.980 456 V CB 2.354 34.194 31.823 0.027 0.000 1.033 456 V HN 0.758 nan 8.190 nan 0.000 0.429 457 R N 2.638 123.068 120.500 -0.118 0.000 2.409 457 R HA 0.567 4.902 4.340 -0.009 0.000 0.313 457 R C -2.882 173.184 176.300 -0.389 0.000 0.953 457 R CA -1.930 54.037 56.100 -0.221 0.000 0.849 457 R CB 2.486 32.678 30.300 -0.181 0.000 1.171 457 R HN 0.576 nan 8.270 nan 0.000 0.458 458 P HA -0.007 nan 4.420 nan 0.000 0.271 458 P C -0.716 176.077 177.300 -0.845 0.000 1.220 458 P CA -0.302 62.137 63.100 -1.102 0.000 0.768 458 P CB 0.993 31.922 31.700 -1.286 0.000 0.848 459 V N 0.988 120.512 119.914 -0.650 0.000 2.769 459 V HA 0.858 4.972 4.120 -0.009 0.000 0.312 459 V C -0.298 175.680 176.094 -0.192 0.000 1.058 459 V CA -1.438 60.657 62.300 -0.343 0.000 0.952 459 V CB 1.655 33.368 31.823 -0.182 0.000 1.019 459 V HN 0.542 nan 8.190 nan 0.000 0.445 460 A N 3.294 126.083 122.820 -0.051 0.000 2.404 460 A HA 0.738 5.052 4.320 -0.009 0.000 0.273 460 A C 0.690 178.343 177.584 0.115 0.000 1.144 460 A CA 0.162 52.278 52.037 0.131 0.000 0.806 460 A CB -0.221 18.834 19.000 0.093 0.000 1.080 460 A HN 1.896 nan 8.150 nan 0.000 0.509 461 R N 1.832 122.429 120.500 0.161 0.000 2.196 461 R HA 0.577 4.912 4.340 -0.009 0.000 0.340 461 R C 0.819 177.162 176.300 0.071 0.000 1.043 461 R CA 1.320 57.481 56.100 0.101 0.000 0.883 461 R CB -1.533 28.835 30.300 0.113 0.000 1.078 461 R HN 2.840 nan 8.270 nan 0.000 0.462 462 H N 0.000 119.101 119.070 0.052 0.000 2.539 462 H HA 0.000 4.550 4.556 -0.009 0.000 0.296 462 H CA 0.000 56.071 56.048 0.038 0.000 1.023 462 H CB 0.000 29.782 29.762 0.033 0.000 1.292 462 H HN 0.000 nan 8.280 nan 0.000 0.496