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 5bj3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRGLSRRVQA MKPXXXXXXX XXXXXXXXXX XXLVALTAGE PDFDTPEHVK DATA SEQUENCE EAARRALAQG KTKYAPPAGI PELREALAEK FRRENGLSVT PEETIVTVGG DATA SEQUENCE SQALFNLFQA ILDPGDEVIV LSPYWVSYPE MVRFAGGVVV EVETLPEEGF DATA SEQUENCE VPDPERVRRA ITPRTKALVV NSPNNPTGAV YPKEVLEALA RLAVEHDFYL DATA SEQUENCE VSDEIYEHLL YEGEHFSPGR VAPEHTLTVN GAAKAFAMTG WRIGYACGPK DATA SEQUENCE EVIKAMASVS RQSTTSPDTI AQWATLEALT NQEASRAFVE MAREAYRRRR DATA SEQUENCE DLLLEGLTAL GLKAVRPSGA FYVLMDTSPI APDEVRAAER LLEAGVAVVP DATA SEQUENCE GTDFAAFGHV RLSYATSEEN LRKALERFAR VL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.303 176.300 0.005 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.603 32.600 0.005 0.000 1.302 2 R N -0.593 119.910 120.500 0.005 0.000 2.760 2 R HA 0.561 4.884 4.340 -0.029 0.000 0.065 2 R C -0.438 175.864 176.300 0.004 0.000 0.816 2 R CA 0.822 56.924 56.100 0.004 0.000 2.689 2 R CB 1.039 31.342 30.300 0.004 0.000 1.401 2 R HN 1.695 nan 8.270 nan 0.000 0.503 3 G N 1.270 110.074 108.800 0.006 0.000 2.312 3 G HA2 0.124 4.066 3.960 -0.029 0.000 0.347 3 G HA3 0.124 4.066 3.960 -0.029 0.000 0.347 3 G C -1.324 173.581 174.900 0.008 0.000 1.564 3 G CA -0.831 44.273 45.100 0.006 0.000 0.981 3 G HN -0.012 nan 8.290 nan 0.000 0.678 4 L N 1.086 122.315 121.223 0.011 0.000 2.439 4 L HA 0.582 4.904 4.340 -0.029 0.000 0.261 4 L C 1.574 178.450 176.870 0.010 0.000 1.153 4 L CA -0.534 54.316 54.840 0.016 0.000 0.808 4 L CB 1.424 43.497 42.059 0.022 0.000 1.126 4 L HN 0.873 nan 8.230 nan 0.000 0.460 5 S N 0.974 116.681 115.700 0.012 0.000 2.600 5 S HA 0.222 4.674 4.470 -0.029 0.000 0.265 5 S C 0.946 175.538 174.600 -0.013 0.000 1.325 5 S CA -0.579 57.616 58.200 -0.007 0.000 1.002 5 S CB 1.135 64.324 63.200 -0.018 0.000 0.921 5 S HN 0.586 nan 8.310 nan 0.000 0.554 6 R N 1.048 121.528 120.500 -0.033 0.000 2.081 6 R HA -0.112 4.211 4.340 -0.029 0.000 0.235 6 R C 2.689 178.962 176.300 -0.045 0.000 1.131 6 R CA 1.788 57.867 56.100 -0.035 0.000 0.960 6 R CB -0.416 29.857 30.300 -0.045 0.000 0.856 6 R HN 0.874 nan 8.270 nan 0.000 0.436 7 R N 0.128 120.564 120.500 -0.107 0.000 2.105 7 R HA -0.081 4.242 4.340 -0.029 0.000 0.239 7 R C 1.984 178.292 176.300 0.013 0.000 1.135 7 R CA 1.551 57.541 56.100 -0.182 0.000 0.967 7 R CB -0.818 29.155 30.300 -0.544 0.000 0.861 7 R HN 0.035 nan 8.270 nan 0.000 0.442 8 V N 1.384 121.350 119.914 0.087 0.000 2.488 8 V HA -0.140 3.962 4.120 -0.029 0.000 0.246 8 V C 2.233 178.395 176.094 0.113 0.000 1.046 8 V CA 1.635 64.062 62.300 0.211 0.000 1.053 8 V CB -0.183 31.747 31.823 0.179 0.000 0.679 8 V HN 0.423 nan 8.190 nan 0.000 0.458 9 Q N -0.490 119.346 119.800 0.059 0.000 2.291 9 Q HA -0.038 4.284 4.340 -0.029 0.000 0.205 9 Q C 2.045 178.065 176.000 0.032 0.000 0.970 9 Q CA 1.323 57.148 55.803 0.036 0.000 0.876 9 Q CB -0.190 28.559 28.738 0.017 0.000 0.935 9 Q HN 0.662 nan 8.270 nan 0.000 0.455 10 A N 0.064 122.907 122.820 0.038 0.000 2.251 10 A HA 0.101 4.403 4.320 -0.029 0.000 0.209 10 A C 0.790 178.401 177.584 0.045 0.000 1.187 10 A CA -0.032 52.023 52.037 0.030 0.000 0.823 10 A CB -0.066 18.942 19.000 0.014 0.000 0.846 10 A HN 0.211 nan 8.150 nan 0.000 0.486 11 M N 0.735 120.378 119.600 0.071 0.000 2.238 11 M HA 0.144 4.606 4.480 -0.029 0.000 0.347 11 M C -0.070 176.239 176.300 0.014 0.000 1.173 11 M CA 0.306 55.641 55.300 0.058 0.000 1.147 11 M CB 0.625 33.269 32.600 0.073 0.000 1.547 11 M HN 0.062 nan 8.290 nan 0.000 0.455 12 K N 3.796 124.190 120.400 -0.010 0.000 2.339 12 K HA 0.254 4.556 4.320 -0.029 0.000 0.286 12 K C -1.823 174.755 176.600 -0.036 0.000 1.050 12 K CA -1.143 55.130 56.287 -0.023 0.000 0.956 12 K CB 0.167 32.644 32.500 -0.039 0.000 0.990 12 K HN 0.460 nan 8.250 nan 0.000 0.475 34 V N 3.191 123.105 119.914 0.001 0.000 2.347 34 V HA 0.638 4.740 4.120 -0.029 0.000 0.280 34 V C 0.398 176.496 176.094 0.006 0.000 1.021 34 V CA -0.324 61.969 62.300 -0.011 0.000 0.847 34 V CB 1.478 33.277 31.823 -0.040 0.000 0.990 34 V HN 0.741 nan 8.190 nan 0.000 0.444 35 A N 6.222 129.048 122.820 0.010 0.000 2.260 35 A HA 0.774 5.076 4.320 -0.029 0.000 0.308 35 A C -0.109 177.494 177.584 0.033 0.000 1.254 35 A CA -0.372 51.683 52.037 0.030 0.000 0.874 35 A CB 0.413 19.431 19.000 0.031 0.000 1.153 35 A HN 0.867 nan 8.150 nan 0.000 0.527 36 L N 3.312 124.573 121.223 0.062 0.000 3.141 36 L HA 0.190 4.512 4.340 -0.029 0.000 0.263 36 L C 1.164 178.102 176.870 0.113 0.000 1.312 36 L CA 0.199 55.087 54.840 0.080 0.000 1.012 36 L CB 0.116 42.238 42.059 0.105 0.000 1.408 36 L HN 0.925 nan 8.230 nan 0.000 0.559 37 T N -4.241 110.374 114.554 0.102 0.000 3.010 37 T HA 0.298 4.630 4.350 -0.029 0.000 0.257 37 T C 0.969 175.763 174.700 0.156 0.000 1.020 37 T CA 0.094 62.273 62.100 0.132 0.000 0.938 37 T CB 0.473 69.407 68.868 0.110 0.000 1.049 37 T HN 0.208 nan 8.240 nan 0.000 0.522 38 A N 0.925 123.812 122.820 0.112 0.000 2.565 38 A HA 0.523 4.825 4.320 -0.029 0.000 0.237 38 A C 1.344 179.075 177.584 0.247 0.000 1.053 38 A CA 0.274 52.373 52.037 0.104 0.000 0.755 38 A CB -0.287 18.699 19.000 -0.023 0.000 0.980 38 A HN 0.632 nan 8.150 nan 0.000 0.506 39 G N 1.335 110.308 108.800 0.289 0.000 3.651 39 G HA2 0.457 4.399 3.960 -0.029 0.000 0.279 39 G HA3 0.457 4.399 3.960 -0.029 0.000 0.279 39 G C 0.040 175.221 174.900 0.469 0.000 1.024 39 G CA 0.385 45.787 45.100 0.503 0.000 0.813 39 G HN 0.936 nan 8.290 nan 0.000 0.518 40 E N 0.076 120.420 120.200 0.241 0.000 2.390 40 E HA 0.491 4.823 4.350 -0.029 0.000 0.277 40 E C -3.218 173.334 176.600 -0.080 0.000 0.939 40 E CA -2.282 54.233 56.400 0.192 0.000 0.769 40 E CB 1.732 31.529 29.700 0.162 0.000 1.251 40 E HN -0.156 nan 8.360 nan 0.000 0.450 41 P HA -0.009 nan 4.420 nan 0.000 0.267 41 P C 0.020 177.345 177.300 0.041 0.000 1.200 41 P CA 0.019 63.146 63.100 0.044 0.000 0.772 41 P CB 0.498 32.443 31.700 0.407 0.000 0.855 42 D N 1.349 121.718 120.400 -0.052 0.000 2.347 42 D HA -0.048 4.574 4.640 -0.029 0.000 0.213 42 D C 0.224 176.447 176.300 -0.130 0.000 0.985 42 D CA 0.400 54.312 54.000 -0.147 0.000 0.879 42 D CB -0.221 40.415 40.800 -0.273 0.000 0.919 42 D HN 0.236 nan 8.370 nan 0.000 0.526 43 F N 1.625 121.656 119.950 0.134 0.000 2.418 43 F HA 0.225 4.735 4.527 -0.028 0.000 0.341 43 F C 1.158 177.083 175.800 0.208 0.000 1.120 43 F CA -0.685 57.432 58.000 0.195 0.000 1.232 43 F CB 0.545 39.734 39.000 0.315 0.000 1.175 43 F HN -0.262 nan 8.300 nan 0.000 0.569 44 D N 0.165 120.789 120.400 0.373 0.000 2.348 44 D HA 0.092 4.714 4.640 -0.029 0.000 0.249 44 D C -0.148 176.262 176.300 0.183 0.000 1.110 44 D CA -0.260 53.883 54.000 0.239 0.000 0.967 44 D CB 1.158 42.063 40.800 0.176 0.000 1.139 44 D HN 0.541 nan 8.370 nan 0.000 0.466 45 T N 0.918 115.536 114.554 0.107 0.000 2.916 45 T HA 0.260 4.592 4.350 -0.029 0.000 0.303 45 T C -2.217 172.359 174.700 -0.207 0.000 1.025 45 T CA -1.239 60.797 62.100 -0.106 0.000 1.142 45 T CB 0.742 69.585 68.868 -0.041 0.000 0.947 45 T HN 0.217 nan 8.240 nan 0.000 0.544 46 P HA 0.065 nan 4.420 nan 0.000 0.264 46 P C 0.871 178.062 177.300 -0.182 0.000 1.183 46 P CA -0.090 62.824 63.100 -0.311 0.000 0.763 46 P CB 0.640 32.099 31.700 -0.400 0.000 0.807 47 E N 2.342 122.534 120.200 -0.013 0.000 2.147 47 E HA -0.240 4.093 4.350 -0.029 0.000 0.199 47 E C 1.807 178.405 176.600 -0.004 0.000 1.005 47 E CA 1.928 58.335 56.400 0.012 0.000 0.810 47 E CB -0.855 28.877 29.700 0.054 0.000 0.736 47 E HN 0.758 nan 8.360 nan 0.000 0.460 48 H N -1.302 117.712 119.070 -0.094 0.000 2.421 48 H HA -0.003 4.535 4.556 -0.030 0.000 0.298 48 H C 1.985 177.234 175.328 -0.132 0.000 1.087 48 H CA 1.256 57.242 56.048 -0.102 0.000 1.330 48 H CB -0.285 29.408 29.762 -0.115 0.000 1.388 48 H HN -0.056 nan 8.280 nan 0.000 0.526 49 V N 1.105 120.611 119.914 -0.681 0.000 2.407 49 V HA -0.149 3.953 4.120 -0.029 0.000 0.245 49 V C 2.290 178.217 176.094 -0.278 0.000 1.041 49 V CA 1.784 63.724 62.300 -0.600 0.000 1.040 49 V CB -0.350 30.976 31.823 -0.829 0.000 0.671 49 V HN 0.382 nan 8.190 nan 0.000 0.455 50 K N -0.341 119.979 120.400 -0.133 0.000 2.097 50 K HA -0.182 4.121 4.320 -0.029 0.000 0.206 50 K C 2.240 178.879 176.600 0.066 0.000 1.049 50 K CA 1.234 57.572 56.287 0.084 0.000 0.933 50 K CB -0.149 32.408 32.500 0.095 0.000 0.717 50 K HN 0.328 nan 8.250 nan 0.000 0.442 51 E N 0.690 120.896 120.200 0.010 0.000 2.051 51 E HA -0.143 4.189 4.350 -0.029 0.000 0.192 51 E C 2.015 178.625 176.600 0.017 0.000 0.991 51 E CA 1.219 57.629 56.400 0.017 0.000 0.799 51 E CB -0.200 29.508 29.700 0.014 0.000 0.748 51 E HN 0.290 nan 8.360 nan 0.000 0.449 52 A N 1.171 123.990 122.820 -0.001 0.000 1.940 52 A HA -0.129 4.173 4.320 -0.029 0.000 0.219 52 A C 2.382 180.005 177.584 0.065 0.000 1.176 52 A CA 2.137 54.185 52.037 0.018 0.000 0.631 52 A CB -0.522 18.477 19.000 -0.003 0.000 0.814 52 A HN 0.275 nan 8.150 nan 0.000 0.446 53 A N -0.197 122.690 122.820 0.112 0.000 1.898 53 A HA -0.133 4.169 4.320 -0.029 0.000 0.216 53 A C 2.233 179.878 177.584 0.102 0.000 1.181 53 A CA 1.450 53.603 52.037 0.194 0.000 0.620 53 A CB -0.434 18.801 19.000 0.392 0.000 0.819 53 A HN 0.549 nan 8.150 nan 0.000 0.442 54 R N -0.645 119.897 120.500 0.071 0.000 2.096 54 R HA -0.068 4.254 4.340 -0.029 0.000 0.235 54 R C 2.420 178.718 176.300 -0.004 0.000 1.127 54 R CA 1.472 57.589 56.100 0.029 0.000 0.968 54 R CB -0.279 30.036 30.300 0.024 0.000 0.861 54 R HN 0.473 nan 8.270 nan 0.000 0.440 55 R N 0.187 120.679 120.500 -0.014 0.000 2.092 55 R HA -0.033 4.290 4.340 -0.029 0.000 0.231 55 R C 2.312 178.552 176.300 -0.100 0.000 1.119 55 R CA 1.199 57.267 56.100 -0.053 0.000 0.970 55 R CB -0.290 29.976 30.300 -0.056 0.000 0.864 55 R HN 0.203 nan 8.270 nan 0.000 0.440 56 A N 1.448 124.212 122.820 -0.093 0.000 1.902 56 A HA -0.123 4.179 4.320 -0.029 0.000 0.217 56 A C 2.199 179.716 177.584 -0.112 0.000 1.181 56 A CA 1.075 53.012 52.037 -0.166 0.000 0.623 56 A CB -0.519 18.447 19.000 -0.058 0.000 0.818 56 A HN 0.153 nan 8.150 nan 0.000 0.443 57 L N -0.733 120.462 121.223 -0.046 0.000 2.012 57 L HA -0.228 4.094 4.340 -0.029 0.000 0.210 57 L C 3.114 179.951 176.870 -0.054 0.000 1.073 57 L CA 1.241 56.059 54.840 -0.037 0.000 0.748 57 L CB -0.578 41.470 42.059 -0.018 0.000 0.891 57 L HN 0.440 nan 8.230 nan 0.000 0.431 58 A N -0.673 122.113 122.820 -0.056 0.000 1.972 58 A HA -0.230 4.073 4.320 -0.029 0.000 0.219 58 A C 2.108 179.646 177.584 -0.076 0.000 1.169 58 A CA 1.462 53.465 52.037 -0.057 0.000 0.635 58 A CB -0.401 18.568 19.000 -0.051 0.000 0.810 58 A HN 0.538 nan 8.150 nan 0.000 0.446 59 Q N -1.553 118.181 119.800 -0.111 0.000 2.403 59 Q HA 0.254 4.577 4.340 -0.029 0.000 0.203 59 Q C 0.954 176.880 176.000 -0.124 0.000 0.932 59 Q CA 0.286 56.008 55.803 -0.135 0.000 0.945 59 Q CB 0.096 28.708 28.738 -0.210 0.000 1.045 59 Q HN 0.861 nan 8.270 nan 0.000 0.511 60 G N 2.003 110.743 108.800 -0.099 0.000 2.198 60 G HA2 -0.232 3.711 3.960 -0.029 0.000 0.257 60 G HA3 -0.232 3.711 3.960 -0.029 0.000 0.257 60 G C -0.072 174.783 174.900 -0.074 0.000 1.042 60 G CA -0.148 44.908 45.100 -0.074 0.000 0.791 60 G HN 0.096 nan 8.290 nan 0.000 0.502 61 K N 1.282 121.617 120.400 -0.109 0.000 2.480 61 K HA 0.231 4.533 4.320 -0.029 0.000 0.241 61 K C 1.352 177.970 176.600 0.029 0.000 1.261 61 K CA 0.790 57.032 56.287 -0.074 0.000 1.193 61 K CB -0.137 32.198 32.500 -0.274 0.000 1.598 61 K HN 0.651 nan 8.250 nan 0.000 0.278 62 T N -2.542 112.019 114.554 0.012 0.000 3.200 62 T HA 0.203 4.536 4.350 -0.029 0.000 0.284 62 T C 0.425 175.105 174.700 -0.033 0.000 1.009 62 T CA -0.573 61.527 62.100 0.001 0.000 0.907 62 T CB 0.598 69.450 68.868 -0.027 0.000 1.120 62 T HN -0.065 nan 8.240 nan 0.000 0.534 63 K N 0.985 121.383 120.400 -0.004 0.000 2.177 63 K HA 0.446 4.749 4.320 -0.029 0.000 0.238 63 K C -0.484 176.121 176.600 0.007 0.000 1.015 63 K CA -0.910 55.348 56.287 -0.048 0.000 0.922 63 K CB 0.492 33.003 32.500 0.018 0.000 1.127 63 K HN 0.149 nan 8.250 nan 0.000 0.469 64 Y N 0.341 120.675 120.300 0.056 0.000 2.702 64 Y HA 0.105 4.637 4.550 -0.030 0.000 0.336 64 Y C 0.895 176.832 175.900 0.062 0.000 1.235 64 Y CA 0.234 58.365 58.100 0.053 0.000 1.492 64 Y CB 0.164 38.648 38.460 0.040 0.000 1.308 64 Y HN 0.541 nan 8.280 nan 0.000 0.589 65 A N 4.877 127.844 122.820 0.246 0.000 2.322 65 A HA 0.755 5.058 4.320 -0.029 0.000 0.327 65 A C -2.618 175.026 177.584 0.099 0.000 1.134 65 A CA -2.118 50.005 52.037 0.144 0.000 0.831 65 A CB 0.575 19.634 19.000 0.100 0.000 1.288 65 A HN 0.519 nan 8.150 nan 0.000 0.472 66 P HA 0.214 nan 4.420 nan 0.000 0.269 66 P C -2.034 175.280 177.300 0.023 0.000 1.215 66 P CA -0.958 62.160 63.100 0.029 0.000 0.780 66 P CB 0.192 31.902 31.700 0.018 0.000 0.898 67 P HA -0.192 nan 4.420 nan 0.000 0.216 67 P C 0.878 178.190 177.300 0.020 0.000 1.150 67 P CA 1.823 64.931 63.100 0.014 0.000 0.843 67 P CB -0.215 31.487 31.700 0.003 0.000 0.787 68 A N -1.625 121.204 122.820 0.014 0.000 2.251 68 A HA 0.518 4.821 4.320 -0.029 0.000 0.209 68 A C 1.022 178.614 177.584 0.014 0.000 1.187 68 A CA 0.756 52.803 52.037 0.017 0.000 0.823 68 A CB -0.676 18.330 19.000 0.010 0.000 0.846 68 A HN 0.322 nan 8.150 nan 0.000 0.486 69 G N -1.236 107.566 108.800 0.005 0.000 2.459 69 G HA2 0.114 4.057 3.960 -0.029 0.000 0.685 69 G HA3 0.114 4.057 3.960 -0.029 0.000 0.685 69 G C -0.680 174.186 174.900 -0.056 0.000 1.303 69 G CA -0.554 44.533 45.100 -0.021 0.000 0.907 69 G HN 0.461 nan 8.290 nan 0.000 0.632 70 I N 3.032 123.528 120.570 -0.124 0.000 2.668 70 I HA 0.219 4.371 4.170 -0.029 0.000 0.285 70 I C 0.122 176.135 176.117 -0.174 0.000 1.168 70 I CA -1.325 59.861 61.300 -0.190 0.000 1.424 70 I CB 1.203 38.936 38.000 -0.445 0.000 1.377 70 I HN 0.406 nan 8.210 nan 0.000 0.560 71 P HA -0.238 nan 4.420 nan 0.000 0.217 71 P C 1.030 178.268 177.300 -0.104 0.000 1.151 71 P CA 1.541 64.596 63.100 -0.075 0.000 0.849 71 P CB 0.272 31.954 31.700 -0.031 0.000 0.787 72 E N -0.266 119.839 120.200 -0.158 0.000 2.110 72 E HA -0.101 4.232 4.350 -0.029 0.000 0.193 72 E C 2.221 178.704 176.600 -0.195 0.000 0.988 72 E CA 0.687 56.989 56.400 -0.163 0.000 0.804 72 E CB -0.936 28.634 29.700 -0.216 0.000 0.745 72 E HN 0.221 nan 8.360 nan 0.000 0.458 73 L N 0.257 121.322 121.223 -0.263 0.000 2.072 73 L HA -0.106 4.216 4.340 -0.029 0.000 0.205 73 L C 2.173 178.941 176.870 -0.171 0.000 1.079 73 L CA 1.133 55.831 54.840 -0.237 0.000 0.752 73 L CB -0.041 41.864 42.059 -0.256 0.000 0.906 73 L HN 0.105 nan 8.230 nan 0.000 0.436 74 R N -0.375 120.052 120.500 -0.122 0.000 2.120 74 R HA -0.211 4.111 4.340 -0.029 0.000 0.234 74 R C 1.997 178.263 176.300 -0.057 0.000 1.123 74 R CA 1.335 57.395 56.100 -0.067 0.000 0.975 74 R CB -0.139 30.138 30.300 -0.038 0.000 0.866 74 R HN 0.378 nan 8.270 nan 0.000 0.446 75 E N 0.599 120.758 120.200 -0.068 0.000 2.047 75 E HA -0.115 4.217 4.350 -0.029 0.000 0.191 75 E C 1.969 178.529 176.600 -0.068 0.000 0.987 75 E CA 1.246 57.615 56.400 -0.051 0.000 0.799 75 E CB -0.022 29.650 29.700 -0.046 0.000 0.752 75 E HN 0.354 nan 8.360 nan 0.000 0.449 76 A N 0.322 123.078 122.820 -0.106 0.000 1.972 76 A HA -0.146 4.156 4.320 -0.029 0.000 0.219 76 A C 1.970 179.444 177.584 -0.184 0.000 1.169 76 A CA 0.888 52.844 52.037 -0.135 0.000 0.635 76 A CB -0.405 18.499 19.000 -0.160 0.000 0.810 76 A HN 0.216 nan 8.150 nan 0.000 0.446 77 L N -0.491 120.608 121.223 -0.207 0.000 2.056 77 L HA -0.071 4.252 4.340 -0.029 0.000 0.207 77 L C 2.927 179.749 176.870 -0.080 0.000 1.078 77 L CA 1.804 56.477 54.840 -0.278 0.000 0.749 77 L CB -1.332 40.620 42.059 -0.180 0.000 0.901 77 L HN 0.409 nan 8.230 nan 0.000 0.433 78 A N -1.024 121.811 122.820 0.026 0.000 1.902 78 A HA -0.166 4.136 4.320 -0.029 0.000 0.217 78 A C 2.143 179.759 177.584 0.053 0.000 1.181 78 A CA 1.390 53.484 52.037 0.096 0.000 0.623 78 A CB -0.325 18.705 19.000 0.049 0.000 0.818 78 A HN 0.388 nan 8.150 nan 0.000 0.443 79 E N 0.022 120.212 120.200 -0.016 0.000 2.106 79 E HA -0.163 4.169 4.350 -0.029 0.000 0.192 79 E C 1.982 178.556 176.600 -0.043 0.000 0.984 79 E CA 1.152 57.538 56.400 -0.024 0.000 0.806 79 E CB -0.326 29.348 29.700 -0.042 0.000 0.750 79 E HN 0.639 nan 8.360 nan 0.000 0.458 80 K N 0.484 120.806 120.400 -0.129 0.000 2.002 80 K HA -0.116 4.187 4.320 -0.029 0.000 0.209 80 K C 2.052 178.567 176.600 -0.142 0.000 1.048 80 K CA 0.955 57.125 56.287 -0.195 0.000 0.930 80 K CB -0.352 31.914 32.500 -0.391 0.000 0.714 80 K HN 0.029 nan 8.250 nan 0.000 0.438 81 F N 1.347 121.284 119.950 -0.022 0.000 2.216 81 F HA -0.080 4.429 4.527 -0.030 0.000 0.300 81 F C 2.817 178.611 175.800 -0.011 0.000 1.085 81 F CA 1.515 59.508 58.000 -0.010 0.000 1.326 81 F CB -0.482 38.510 39.000 -0.014 0.000 1.027 81 F HN 0.150 nan 8.300 nan 0.000 0.497 82 R N 0.337 120.933 120.500 0.160 0.000 2.062 82 R HA -0.075 4.247 4.340 -0.029 0.000 0.226 82 R C 2.501 178.836 176.300 0.058 0.000 1.125 82 R CA 1.179 57.332 56.100 0.088 0.000 0.966 82 R CB -0.233 30.104 30.300 0.062 0.000 0.861 82 R HN 0.129 nan 8.270 nan 0.000 0.433 83 R N 0.431 120.956 120.500 0.042 0.000 2.062 83 R HA -0.101 4.221 4.340 -0.029 0.000 0.231 83 R C 1.668 177.995 176.300 0.045 0.000 1.136 83 R CA 2.039 58.159 56.100 0.032 0.000 0.948 83 R CB -0.084 30.225 30.300 0.015 0.000 0.845 83 R HN 0.356 nan 8.270 nan 0.000 0.430 84 E N -0.589 119.641 120.200 0.050 0.000 2.230 84 E HA -0.060 4.272 4.350 -0.029 0.000 0.192 84 E C 0.967 177.616 176.600 0.083 0.000 0.987 84 E CA 1.053 57.495 56.400 0.071 0.000 0.841 84 E CB 0.159 29.906 29.700 0.078 0.000 0.783 84 E HN 0.540 nan 8.360 nan 0.000 0.481 85 N N -0.825 117.931 118.700 0.093 0.000 2.197 85 N HA 0.118 4.841 4.740 -0.029 0.000 0.201 85 N C 0.612 176.134 175.510 0.019 0.000 1.148 85 N CA 0.330 53.430 53.050 0.083 0.000 0.883 85 N CB 1.651 40.235 38.487 0.162 0.000 1.012 85 N HN 0.129 nan 8.380 nan 0.000 0.507 86 G N 0.926 109.748 108.800 0.036 0.000 2.160 86 G HA2 -0.242 3.701 3.960 -0.029 0.000 0.251 86 G HA3 -0.242 3.701 3.960 -0.029 0.000 0.251 86 G C -0.512 174.387 174.900 -0.001 0.000 1.008 86 G CA -0.076 45.032 45.100 0.013 0.000 0.724 86 G HN 0.085 nan 8.290 nan 0.000 0.514 87 L N 1.212 122.449 121.223 0.024 0.000 2.292 87 L HA 0.556 4.879 4.340 -0.029 0.000 0.284 87 L C 0.855 177.736 176.870 0.019 0.000 1.065 87 L CA -0.387 54.454 54.840 0.003 0.000 0.806 87 L CB 1.683 43.738 42.059 -0.007 0.000 1.175 87 L HN 0.100 nan 8.230 nan 0.000 0.431 88 S N 3.097 118.797 115.700 -0.001 0.000 3.483 88 S HA 0.439 4.891 4.470 -0.029 0.000 0.274 88 S C -0.042 174.557 174.600 -0.001 0.000 1.289 88 S CA -0.570 57.633 58.200 0.006 0.000 0.938 88 S CB -0.157 63.044 63.200 0.003 0.000 1.453 88 S HN 0.429 nan 8.310 nan 0.000 0.494 89 V N 0.466 120.387 119.914 0.012 0.000 2.914 89 V HA 0.890 4.992 4.120 -0.029 0.000 0.314 89 V C 0.102 176.208 176.094 0.021 0.000 1.084 89 V CA -1.002 61.300 62.300 0.003 0.000 0.963 89 V CB 1.627 33.438 31.823 -0.020 0.000 1.025 89 V HN 0.553 nan 8.190 nan 0.000 0.432 90 T N -0.186 114.375 114.554 0.011 0.000 2.936 90 T HA 0.610 4.943 4.350 -0.029 0.000 0.282 90 T C -2.025 172.686 174.700 0.018 0.000 1.003 90 T CA -1.929 60.178 62.100 0.013 0.000 1.005 90 T CB 1.562 70.433 68.868 0.004 0.000 1.097 90 T HN 0.500 nan 8.240 nan 0.000 0.532 91 P HA -0.039 nan 4.420 nan 0.000 0.218 91 P C 0.951 178.257 177.300 0.009 0.000 1.148 91 P CA 0.920 64.027 63.100 0.012 0.000 0.822 91 P CB -0.003 31.696 31.700 -0.000 0.000 0.784 92 E N -0.411 119.791 120.200 0.004 0.000 2.409 92 E HA -0.117 4.216 4.350 -0.029 0.000 0.198 92 E C 0.805 177.403 176.600 -0.004 0.000 1.024 92 E CA 0.753 57.153 56.400 -0.000 0.000 0.861 92 E CB -0.621 29.078 29.700 -0.002 0.000 0.788 92 E HN 0.469 nan 8.360 nan 0.000 0.521 93 E N -0.137 120.060 120.200 -0.005 0.000 2.496 93 E HA 0.155 4.487 4.350 -0.029 0.000 0.202 93 E C -0.397 176.189 176.600 -0.023 0.000 1.021 93 E CA -0.018 56.368 56.400 -0.022 0.000 1.015 93 E CB 0.841 30.522 29.700 -0.032 0.000 1.102 93 E HN -0.083 nan 8.360 nan 0.000 0.452 94 T N 0.992 115.553 114.554 0.012 0.000 2.907 94 T HA 0.611 4.944 4.350 -0.029 0.000 0.292 94 T C -1.075 173.658 174.700 0.055 0.000 1.043 94 T CA -0.477 61.658 62.100 0.059 0.000 1.003 94 T CB 1.768 70.696 68.868 0.100 0.000 1.084 94 T HN 0.081 nan 8.240 nan 0.000 0.483 95 I N 2.060 122.686 120.570 0.094 0.000 2.722 95 I HA 0.572 4.724 4.170 -0.029 0.000 0.292 95 I C -1.539 174.658 176.117 0.133 0.000 1.267 95 I CA -0.848 60.500 61.300 0.079 0.000 1.036 95 I CB 1.677 39.705 38.000 0.046 0.000 1.281 95 I HN 0.346 nan 8.210 nan 0.000 0.423 96 V N 5.678 125.654 119.914 0.104 0.000 2.427 96 V HA 0.601 4.703 4.120 -0.029 0.000 0.286 96 V C 0.310 176.465 176.094 0.101 0.000 1.034 96 V CA -0.199 62.182 62.300 0.135 0.000 0.893 96 V CB 1.425 33.299 31.823 0.085 0.000 0.982 96 V HN 0.853 nan 8.190 nan 0.000 0.452 97 T N 0.783 115.399 114.554 0.103 0.000 2.888 97 T HA 0.581 4.913 4.350 -0.029 0.000 0.288 97 T C -0.405 174.333 174.700 0.064 0.000 1.063 97 T CA -0.779 61.365 62.100 0.073 0.000 1.010 97 T CB 1.727 70.633 68.868 0.064 0.000 1.214 97 T HN 0.173 nan 8.240 nan 0.000 0.533 98 V N 2.164 122.112 119.914 0.056 0.000 2.149 98 V HA 0.547 4.650 4.120 -0.029 0.000 0.245 98 V C 1.276 177.394 176.094 0.041 0.000 1.349 98 V CA 0.813 63.143 62.300 0.050 0.000 1.289 98 V CB -1.157 30.688 31.823 0.037 0.000 1.401 98 V HN 1.483 nan 8.190 nan 0.000 0.501 99 G N 3.651 112.469 108.800 0.031 0.000 2.758 99 G HA2 0.008 3.950 3.960 -0.029 0.000 0.686 99 G HA3 0.008 3.950 3.960 -0.029 0.000 0.686 99 G C 0.720 175.612 174.900 -0.014 0.000 1.389 99 G CA -0.331 44.773 45.100 0.007 0.000 0.845 99 G HN 0.926 nan 8.290 nan 0.000 0.572 100 G N -0.200 108.565 108.800 -0.059 0.000 2.443 100 G HA2 0.140 4.083 3.960 -0.029 0.000 0.219 100 G HA3 0.140 4.083 3.960 -0.029 0.000 0.219 100 G C 2.251 177.188 174.900 0.062 0.000 1.131 100 G CA 2.087 47.152 45.100 -0.059 0.000 0.775 100 G HN 2.083 nan 8.290 nan 0.000 0.547 101 S N 0.048 115.824 115.700 0.126 0.000 2.370 101 S HA -0.208 4.245 4.470 -0.029 0.000 0.226 101 S C 2.152 176.871 174.600 0.198 0.000 1.033 101 S CA 1.589 59.936 58.200 0.244 0.000 1.011 101 S CB -0.437 62.909 63.200 0.243 0.000 0.852 101 S HN 0.477 nan 8.310 nan 0.000 0.457 102 Q N 0.939 120.813 119.800 0.123 0.000 2.230 102 Q HA 0.060 4.383 4.340 -0.029 0.000 0.202 102 Q C 2.243 178.338 176.000 0.159 0.000 0.963 102 Q CA 0.944 56.831 55.803 0.140 0.000 0.866 102 Q CB -0.417 28.366 28.738 0.076 0.000 0.931 102 Q HN 0.741 nan 8.270 nan 0.000 0.452 103 A N 0.694 123.572 122.820 0.096 0.000 1.898 103 A HA -0.146 4.156 4.320 -0.029 0.000 0.216 103 A C 1.988 179.575 177.584 0.006 0.000 1.181 103 A CA 0.967 53.030 52.037 0.043 0.000 0.620 103 A CB -0.580 18.430 19.000 0.016 0.000 0.819 103 A HN 0.402 nan 8.150 nan 0.000 0.442 104 L N -2.203 119.056 121.223 0.059 0.000 2.056 104 L HA -0.125 4.197 4.340 -0.029 0.000 0.207 104 L C 2.466 179.348 176.870 0.019 0.000 1.078 104 L CA 1.567 56.398 54.840 -0.014 0.000 0.749 104 L CB -0.536 41.681 42.059 0.263 0.000 0.901 104 L HN 0.502 nan 8.230 nan 0.000 0.433 105 F N 1.357 121.357 119.950 0.084 0.000 2.075 105 F HA -0.243 4.266 4.527 -0.030 0.000 0.297 105 F C 2.327 178.179 175.800 0.086 0.000 1.113 105 F CA 1.787 59.870 58.000 0.138 0.000 1.218 105 F CB -0.240 38.812 39.000 0.088 0.000 0.984 105 F HN 0.097 nan 8.300 nan 0.000 0.472 106 N N 0.750 119.542 118.700 0.153 0.000 2.166 106 N HA -0.186 4.536 4.740 -0.029 0.000 0.186 106 N C 2.003 177.447 175.510 -0.109 0.000 1.019 106 N CA 1.368 54.435 53.050 0.029 0.000 0.856 106 N CB -0.711 37.827 38.487 0.086 0.000 0.993 106 N HN 0.438 nan 8.380 nan 0.000 0.426 107 L N -0.505 120.606 121.223 -0.186 0.000 1.994 107 L HA -0.145 4.178 4.340 -0.029 0.000 0.208 107 L C 1.601 178.293 176.870 -0.296 0.000 1.071 107 L CA 1.433 56.083 54.840 -0.317 0.000 0.745 107 L CB -0.251 41.511 42.059 -0.495 0.000 0.892 107 L HN -0.029 nan 8.230 nan 0.000 0.431 108 F N -0.152 119.721 119.950 -0.129 0.000 2.216 108 F HA -0.190 4.319 4.527 -0.030 0.000 0.300 108 F C 2.708 178.401 175.800 -0.178 0.000 1.085 108 F CA 0.893 58.809 58.000 -0.140 0.000 1.326 108 F CB -0.731 38.198 39.000 -0.119 0.000 1.027 108 F HN 0.202 nan 8.300 nan 0.000 0.497 109 Q N -0.405 119.335 119.800 -0.100 0.000 2.230 109 Q HA 0.022 4.345 4.340 -0.029 0.000 0.202 109 Q C 2.369 178.325 176.000 -0.072 0.000 0.963 109 Q CA 1.191 56.909 55.803 -0.141 0.000 0.866 109 Q CB -0.501 28.086 28.738 -0.251 0.000 0.931 109 Q HN 0.419 nan 8.270 nan 0.000 0.452 110 A N 0.578 123.351 122.820 -0.078 0.000 2.081 110 A HA 0.043 4.345 4.320 -0.029 0.000 0.214 110 A C 1.803 179.352 177.584 -0.058 0.000 1.158 110 A CA 0.527 52.523 52.037 -0.068 0.000 0.724 110 A CB -0.106 18.839 19.000 -0.092 0.000 0.826 110 A HN 0.422 nan 8.150 nan 0.000 0.463 111 I N -4.383 116.158 120.570 -0.048 0.000 4.288 111 I HA 0.412 4.564 4.170 -0.029 0.000 0.331 111 I C -0.366 175.790 176.117 0.066 0.000 1.322 111 I CA -0.205 61.093 61.300 -0.004 0.000 1.149 111 I CB 0.284 38.230 38.000 -0.091 0.000 1.112 111 I HN -0.102 nan 8.210 nan 0.000 0.403 112 L N 2.826 124.083 121.223 0.057 0.000 2.295 112 L HA 0.546 4.869 4.340 -0.029 0.000 0.285 112 L C -0.892 175.985 176.870 0.011 0.000 1.035 112 L CA -0.382 54.486 54.840 0.047 0.000 0.806 112 L CB 1.230 43.315 42.059 0.042 0.000 1.214 112 L HN 0.089 nan 8.230 nan 0.000 0.426 113 D N 3.763 124.168 120.400 0.008 0.000 2.228 113 D HA 0.344 4.966 4.640 -0.029 0.000 0.247 113 D C -2.382 173.906 176.300 -0.020 0.000 0.995 113 D CA -1.319 52.677 54.000 -0.007 0.000 0.903 113 D CB 2.053 42.855 40.800 0.003 0.000 1.205 113 D HN 0.222 nan 8.370 nan 0.000 0.459 114 P HA 0.056 nan 4.420 nan 0.000 0.261 114 P C 0.710 177.991 177.300 -0.031 0.000 1.183 114 P CA 0.493 63.569 63.100 -0.040 0.000 0.761 114 P CB 0.739 32.413 31.700 -0.045 0.000 0.785 115 G N 2.885 111.664 108.800 -0.036 0.000 2.339 115 G HA2 -0.166 3.777 3.960 -0.029 0.000 0.209 115 G HA3 -0.166 3.777 3.960 -0.029 0.000 0.209 115 G C -0.143 174.738 174.900 -0.030 0.000 1.015 115 G CA -0.376 44.706 45.100 -0.030 0.000 0.635 115 G HN 0.500 nan 8.290 nan 0.000 0.499 116 D N 2.281 122.667 120.400 -0.025 0.000 2.488 116 D HA 0.418 5.041 4.640 -0.029 0.000 0.238 116 D C 0.682 176.955 176.300 -0.044 0.000 1.138 116 D CA 0.615 54.603 54.000 -0.019 0.000 0.873 116 D CB 0.680 41.484 40.800 0.006 0.000 1.183 116 D HN 0.600 nan 8.370 nan 0.000 0.458 117 E N 0.227 120.395 120.200 -0.054 0.000 2.242 117 E HA 0.523 4.855 4.350 -0.029 0.000 0.275 117 E C -0.735 175.800 176.600 -0.107 0.000 1.002 117 E CA -0.915 55.434 56.400 -0.085 0.000 0.841 117 E CB 1.890 31.536 29.700 -0.089 0.000 1.109 117 E HN 0.057 nan 8.360 nan 0.000 0.394 118 V N 3.538 123.374 119.914 -0.129 0.000 2.525 118 V HA 0.300 4.402 4.120 -0.029 0.000 0.299 118 V C -0.319 175.693 176.094 -0.138 0.000 1.034 118 V CA -0.676 61.543 62.300 -0.136 0.000 0.863 118 V CB 1.372 33.088 31.823 -0.178 0.000 0.999 118 V HN 0.580 nan 8.190 nan 0.000 0.423 119 I N 4.862 125.346 120.570 -0.142 0.000 2.416 119 I HA 0.369 4.521 4.170 -0.029 0.000 0.288 119 I C -0.366 175.721 176.117 -0.049 0.000 1.051 119 I CA -0.216 61.025 61.300 -0.099 0.000 1.375 119 I CB 1.323 39.252 38.000 -0.117 0.000 1.407 119 I HN 0.280 nan 8.210 nan 0.000 0.516 120 V N 7.529 127.435 119.914 -0.013 0.000 2.540 120 V HA 0.367 4.469 4.120 -0.029 0.000 0.302 120 V C -0.024 176.176 176.094 0.177 0.000 1.035 120 V CA -0.693 61.630 62.300 0.038 0.000 0.873 120 V CB 1.901 33.676 31.823 -0.081 0.000 0.992 120 V HN 0.457 nan 8.190 nan 0.000 0.428 121 L N 4.701 126.064 121.223 0.232 0.000 2.278 121 L HA 0.466 4.789 4.340 -0.029 0.000 0.287 121 L C 0.645 177.723 176.870 0.346 0.000 1.072 121 L CA 0.017 55.009 54.840 0.253 0.000 0.819 121 L CB 1.247 43.440 42.059 0.223 0.000 1.176 121 L HN 0.796 nan 8.230 nan 0.000 0.435 122 S N 3.240 119.100 115.700 0.268 0.000 2.585 122 S HA 0.593 5.046 4.470 -0.029 0.000 0.277 122 S C -2.577 172.043 174.600 0.033 0.000 1.241 122 S CA -1.686 56.559 58.200 0.076 0.000 1.041 122 S CB 1.372 64.554 63.200 -0.030 0.000 0.987 122 S HN 0.271 nan 8.310 nan 0.000 0.512 123 P HA 0.270 nan 4.420 nan 0.000 0.271 123 P C -1.044 176.200 177.300 -0.093 0.000 1.216 123 P CA -0.102 62.824 63.100 -0.290 0.000 0.776 123 P CB 0.020 31.484 31.700 -0.394 0.000 0.881 124 Y N -0.113 120.285 120.300 0.163 0.000 2.598 124 Y HA 0.621 5.154 4.550 -0.029 0.000 0.340 124 Y C -0.722 175.385 175.900 0.344 0.000 1.038 124 Y CA -2.266 56.005 58.100 0.284 0.000 1.100 124 Y CB 0.133 38.799 38.460 0.342 0.000 1.281 124 Y HN 0.343 nan 8.280 nan 0.000 0.488 125 W N 2.957 124.414 121.300 0.263 0.000 2.308 125 W HA 0.342 4.984 4.660 -0.030 0.000 0.324 125 W C 0.671 177.129 176.519 -0.101 0.000 1.387 125 W CA -0.826 56.502 57.345 -0.027 0.000 1.250 125 W CB 0.761 29.913 29.460 -0.513 0.000 1.257 125 W HN 0.581 nan 8.180 nan 0.000 0.554 126 V N 4.503 124.155 119.914 -0.437 0.000 2.311 126 V HA -0.421 3.682 4.120 -0.029 0.000 0.256 126 V C 2.201 177.906 176.094 -0.648 0.000 1.077 126 V CA 2.727 64.672 62.300 -0.590 0.000 1.067 126 V CB -1.256 30.118 31.823 -0.748 0.000 0.659 126 V HN 0.754 nan 8.190 nan 0.000 0.451 127 S N -1.827 113.173 115.700 -1.167 0.000 2.423 127 S HA -0.123 4.329 4.470 -0.029 0.000 0.231 127 S C 1.745 176.094 174.600 -0.419 0.000 1.014 127 S CA 1.067 58.714 58.200 -0.921 0.000 0.965 127 S CB -0.370 61.973 63.200 -1.429 0.000 0.785 127 S HN 0.604 nan 8.310 nan 0.000 0.495 128 Y N 2.090 122.236 120.300 -0.257 0.000 2.053 128 Y HA -0.108 4.425 4.550 -0.029 0.000 0.277 128 Y C -0.166 175.570 175.900 -0.273 0.000 1.159 128 Y CA 0.557 58.592 58.100 -0.109 0.000 1.125 128 Y CB -2.361 36.080 38.460 -0.032 0.000 0.969 128 Y HN 0.276 nan 8.280 nan 0.000 0.492 129 P HA -0.131 nan 4.420 nan 0.000 0.218 129 P C 1.217 178.416 177.300 -0.169 0.000 1.149 129 P CA 1.548 64.497 63.100 -0.251 0.000 0.817 129 P CB 0.131 31.639 31.700 -0.321 0.000 0.785 130 E N 0.038 120.149 120.200 -0.148 0.000 2.031 130 E HA -0.127 4.205 4.350 -0.029 0.000 0.193 130 E C 2.249 178.843 176.600 -0.011 0.000 0.994 130 E CA 1.291 57.639 56.400 -0.087 0.000 0.800 130 E CB -0.814 28.802 29.700 -0.140 0.000 0.752 130 E HN 0.360 nan 8.360 nan 0.000 0.447 131 M N 0.244 119.840 119.600 -0.006 0.000 2.159 131 M HA -0.140 4.323 4.480 -0.029 0.000 0.263 131 M C 2.443 178.699 176.300 -0.073 0.000 1.063 131 M CA 0.972 56.334 55.300 0.104 0.000 1.110 131 M CB -0.262 32.514 32.600 0.293 0.000 1.374 131 M HN -0.068 nan 8.290 nan 0.000 0.411 132 V N 0.414 120.123 119.914 -0.342 0.000 2.261 132 V HA -0.268 3.835 4.120 -0.029 0.000 0.246 132 V C 2.324 178.295 176.094 -0.205 0.000 1.047 132 V CA 1.900 63.904 62.300 -0.495 0.000 1.015 132 V CB -0.703 30.791 31.823 -0.549 0.000 0.642 132 V HN 0.435 nan 8.190 nan 0.000 0.446 133 R N -1.148 119.285 120.500 -0.112 0.000 2.096 133 R HA -0.144 4.178 4.340 -0.029 0.000 0.235 133 R C 2.211 178.521 176.300 0.017 0.000 1.127 133 R CA 1.637 57.709 56.100 -0.046 0.000 0.968 133 R CB -0.490 29.795 30.300 -0.025 0.000 0.861 133 R HN 0.471 nan 8.270 nan 0.000 0.440 134 F N 1.101 121.013 119.950 -0.063 0.000 2.269 134 F HA -0.116 4.394 4.527 -0.029 0.000 0.301 134 F C 2.005 177.780 175.800 -0.042 0.000 1.082 134 F CA 1.222 59.215 58.000 -0.012 0.000 1.360 134 F CB 0.033 39.079 39.000 0.076 0.000 1.041 134 F HN -0.030 nan 8.300 nan 0.000 0.512 135 A N -0.953 121.868 122.820 0.001 0.000 2.275 135 A HA 0.448 4.750 4.320 -0.029 0.000 0.212 135 A C 1.785 179.313 177.584 -0.093 0.000 1.201 135 A CA 0.681 52.675 52.037 -0.073 0.000 0.843 135 A CB -0.923 18.049 19.000 -0.047 0.000 0.873 135 A HN 0.772 nan 8.150 nan 0.000 0.492 136 G N -1.783 106.957 108.800 -0.099 0.000 2.159 136 G HA2 -0.027 3.916 3.960 -0.029 0.000 0.227 136 G HA3 -0.027 3.916 3.960 -0.029 0.000 0.227 136 G C 0.698 175.552 174.900 -0.077 0.000 0.986 136 G CA 0.182 45.229 45.100 -0.089 0.000 0.651 136 G HN 1.322 nan 8.290 nan 0.000 0.523 137 G N -0.996 107.749 108.800 -0.093 0.000 2.572 137 G HA2 0.610 4.552 3.960 -0.029 0.000 0.261 137 G HA3 0.610 4.552 3.960 -0.029 0.000 0.261 137 G C -0.120 174.719 174.900 -0.103 0.000 1.197 137 G CA 0.126 45.165 45.100 -0.102 0.000 0.870 137 G HN 0.961 nan 8.290 nan 0.000 0.548 138 V N 0.654 120.511 119.914 -0.096 0.000 2.398 138 V HA 0.250 4.352 4.120 -0.029 0.000 0.286 138 V C 0.138 176.170 176.094 -0.104 0.000 1.026 138 V CA -0.680 61.569 62.300 -0.084 0.000 0.868 138 V CB 1.537 33.323 31.823 -0.062 0.000 0.982 138 V HN 0.486 nan 8.190 nan 0.000 0.443 139 V N 5.990 125.842 119.914 -0.103 0.000 2.427 139 V HA 0.223 4.325 4.120 -0.029 0.000 0.268 139 V C 0.127 176.179 176.094 -0.069 0.000 1.046 139 V CA -0.254 61.978 62.300 -0.114 0.000 0.970 139 V CB 1.340 33.082 31.823 -0.134 0.000 1.001 139 V HN 0.613 nan 8.190 nan 0.000 0.476 140 V N 5.301 125.174 119.914 -0.069 0.000 2.293 140 V HA 0.281 4.384 4.120 -0.029 0.000 0.275 140 V C 0.322 176.412 176.094 -0.006 0.000 1.021 140 V CA -0.506 61.771 62.300 -0.038 0.000 0.815 140 V CB 1.210 32.997 31.823 -0.060 0.000 1.025 140 V HN 0.954 nan 8.190 nan 0.000 0.448 141 E N 4.307 124.533 120.200 0.043 0.000 2.259 141 E HA 0.423 4.755 4.350 -0.029 0.000 0.281 141 E C -1.249 175.411 176.600 0.101 0.000 1.037 141 E CA -0.340 56.128 56.400 0.113 0.000 0.854 141 E CB 1.523 31.343 29.700 0.201 0.000 1.051 141 E HN 0.453 nan 8.360 nan 0.000 0.409 142 V N 5.121 125.100 119.914 0.108 0.000 2.384 142 V HA 0.167 4.270 4.120 -0.029 0.000 0.287 142 V C 0.072 176.233 176.094 0.110 0.000 1.020 142 V CA -0.665 61.686 62.300 0.085 0.000 0.850 142 V CB 1.432 33.289 31.823 0.057 0.000 0.987 142 V HN 0.766 nan 8.190 nan 0.000 0.436 143 E N 2.502 122.760 120.200 0.096 0.000 2.373 143 E HA 0.296 4.629 4.350 -0.029 0.000 0.267 143 E C -0.516 176.139 176.600 0.092 0.000 1.032 143 E CA -0.049 56.412 56.400 0.102 0.000 0.889 143 E CB 0.934 30.690 29.700 0.094 0.000 0.984 143 E HN 0.678 nan 8.360 nan 0.000 0.425 144 T N 4.292 118.922 114.554 0.126 0.000 2.807 144 T HA 0.397 4.729 4.350 -0.029 0.000 0.279 144 T C -0.558 174.227 174.700 0.143 0.000 0.993 144 T CA -0.583 61.602 62.100 0.142 0.000 0.970 144 T CB 0.447 69.446 68.868 0.218 0.000 0.950 144 T HN 0.328 nan 8.240 nan 0.000 0.441 145 L N 6.001 127.219 121.223 -0.009 0.000 2.325 145 L HA 0.353 4.676 4.340 -0.029 0.000 0.279 145 L C -1.556 174.980 176.870 -0.557 0.000 1.054 145 L CA -2.370 52.368 54.840 -0.169 0.000 0.804 145 L CB 1.524 43.518 42.059 -0.108 0.000 1.200 145 L HN 0.397 nan 8.230 nan 0.000 0.436 146 P HA -0.189 nan 4.420 nan 0.000 0.215 146 P C 1.115 178.097 177.300 -0.530 0.000 1.157 146 P CA 1.072 63.496 63.100 -1.125 0.000 0.868 146 P CB 0.123 31.509 31.700 -0.523 0.000 0.788 147 E N 0.420 120.447 120.200 -0.288 0.000 2.333 147 E HA -0.186 4.146 4.350 -0.029 0.000 0.198 147 E C 0.858 177.374 176.600 -0.140 0.000 1.007 147 E CA 1.160 57.464 56.400 -0.159 0.000 0.845 147 E CB -0.860 28.782 29.700 -0.096 0.000 0.766 147 E HN 0.441 nan 8.360 nan 0.000 0.507 148 E N 0.228 120.321 120.200 -0.179 0.000 2.451 148 E HA 0.219 4.552 4.350 -0.029 0.000 0.194 148 E C 0.481 177.020 176.600 -0.102 0.000 1.027 148 E CA 0.133 56.464 56.400 -0.115 0.000 0.914 148 E CB 0.446 30.091 29.700 -0.092 0.000 1.054 148 E HN 0.419 nan 8.360 nan 0.000 0.461 149 G N 1.164 109.873 108.800 -0.152 0.000 2.168 149 G HA2 -0.341 3.601 3.960 -0.029 0.000 0.257 149 G HA3 -0.341 3.601 3.960 -0.029 0.000 0.257 149 G C 0.422 175.380 174.900 0.096 0.000 0.997 149 G CA 0.251 45.324 45.100 -0.045 0.000 0.708 149 G HN 0.391 nan 8.290 nan 0.000 0.520 150 F N -3.402 116.557 119.950 0.015 0.000 2.988 150 F HA -0.217 4.291 4.527 -0.031 0.000 0.287 150 F C 1.011 176.826 175.800 0.025 0.000 0.781 150 F CA 0.623 58.637 58.000 0.023 0.000 1.221 150 F CB -1.858 37.166 39.000 0.039 0.000 1.392 150 F HN 0.342 nan 8.300 nan 0.000 0.425 151 V N 2.372 122.328 119.914 0.070 0.000 2.439 151 V HA 0.396 4.499 4.120 -0.029 0.000 0.282 151 V C -1.360 174.604 176.094 -0.217 0.000 1.039 151 V CA -1.579 60.627 62.300 -0.158 0.000 0.913 151 V CB 1.487 33.260 31.823 -0.083 0.000 0.983 151 V HN -0.102 nan 8.190 nan 0.000 0.460 152 P HA 0.088 nan 4.420 nan 0.000 0.269 152 P C -0.969 176.250 177.300 -0.135 0.000 1.209 152 P CA -0.147 62.828 63.100 -0.207 0.000 0.776 152 P CB 0.897 32.459 31.700 -0.231 0.000 0.876 153 D N 2.802 123.162 120.400 -0.066 0.000 2.373 153 D HA 0.217 4.839 4.640 -0.029 0.000 0.227 153 D C -1.698 174.589 176.300 -0.021 0.000 1.091 153 D CA -2.493 51.483 54.000 -0.041 0.000 0.840 153 D CB 0.969 41.754 40.800 -0.025 0.000 1.060 153 D HN 0.026 nan 8.370 nan 0.000 0.502 154 P HA -0.164 nan 4.420 nan 0.000 0.217 154 P C 0.986 178.296 177.300 0.018 0.000 1.148 154 P CA 0.909 64.015 63.100 0.009 0.000 0.828 154 P CB 0.521 32.227 31.700 0.009 0.000 0.783 155 E N -0.346 119.859 120.200 0.009 0.000 2.072 155 E HA -0.140 4.192 4.350 -0.029 0.000 0.191 155 E C 2.053 178.659 176.600 0.010 0.000 0.985 155 E CA 1.280 57.687 56.400 0.012 0.000 0.801 155 E CB -0.429 29.275 29.700 0.006 0.000 0.750 155 E HN 0.101 nan 8.360 nan 0.000 0.452 156 R N -0.455 120.049 120.500 0.006 0.000 2.081 156 R HA -0.068 4.255 4.340 -0.029 0.000 0.235 156 R C 2.354 178.659 176.300 0.008 0.000 1.131 156 R CA 1.366 57.471 56.100 0.008 0.000 0.960 156 R CB -0.376 29.929 30.300 0.009 0.000 0.856 156 R HN 0.116 nan 8.270 nan 0.000 0.436 157 V N 1.085 121.007 119.914 0.014 0.000 2.343 157 V HA -0.245 3.857 4.120 -0.029 0.000 0.247 157 V C 2.474 178.570 176.094 0.004 0.000 1.051 157 V CA 1.781 64.091 62.300 0.018 0.000 1.036 157 V CB -0.614 31.235 31.823 0.044 0.000 0.654 157 V HN 0.327 nan 8.190 nan 0.000 0.451 158 R N 0.373 120.880 120.500 0.011 0.000 2.105 158 R HA -0.175 4.147 4.340 -0.029 0.000 0.239 158 R C 2.456 178.731 176.300 -0.042 0.000 1.135 158 R CA 1.609 57.703 56.100 -0.010 0.000 0.967 158 R CB -0.170 30.148 30.300 0.029 0.000 0.861 158 R HN 0.460 nan 8.270 nan 0.000 0.442 159 R N -0.425 120.063 120.500 -0.020 0.000 2.148 159 R HA -0.016 4.307 4.340 -0.029 0.000 0.227 159 R C 2.005 178.285 176.300 -0.034 0.000 1.103 159 R CA 1.050 57.138 56.100 -0.020 0.000 0.983 159 R CB -0.070 30.227 30.300 -0.006 0.000 0.874 159 R HN 0.219 nan 8.270 nan 0.000 0.451 160 A N 1.056 123.850 122.820 -0.043 0.000 2.208 160 A HA 0.122 4.424 4.320 -0.029 0.000 0.209 160 A C 0.961 178.488 177.584 -0.094 0.000 1.161 160 A CA -0.024 51.980 52.037 -0.054 0.000 0.782 160 A CB -0.045 18.929 19.000 -0.043 0.000 0.816 160 A HN 0.077 nan 8.150 nan 0.000 0.477 161 I N 1.708 122.202 120.570 -0.125 0.000 2.588 161 I HA 0.202 4.354 4.170 -0.029 0.000 0.283 161 I C 0.893 176.941 176.117 -0.117 0.000 1.119 161 I CA 0.308 61.503 61.300 -0.176 0.000 1.419 161 I CB 1.000 38.828 38.000 -0.287 0.000 1.394 161 I HN 0.357 nan 8.210 nan 0.000 0.562 162 T N 2.411 116.911 114.554 -0.090 0.000 2.838 162 T HA 0.432 4.764 4.350 -0.029 0.000 0.292 162 T C -2.354 172.344 174.700 -0.004 0.000 1.113 162 T CA -1.648 60.430 62.100 -0.037 0.000 1.008 162 T CB 1.784 70.629 68.868 -0.038 0.000 1.259 162 T HN 0.208 nan 8.240 nan 0.000 0.520 163 P HA 0.149 nan 4.420 nan 0.000 0.230 163 P C 1.120 178.436 177.300 0.026 0.000 1.158 163 P CA 0.435 63.557 63.100 0.038 0.000 0.769 163 P CB 0.136 31.855 31.700 0.031 0.000 0.807 164 R N -1.719 118.781 120.500 0.000 0.000 2.334 164 R HA 0.144 4.467 4.340 -0.029 0.000 0.216 164 R C 0.221 176.504 176.300 -0.028 0.000 0.905 164 R CA 0.298 56.393 56.100 -0.008 0.000 1.064 164 R CB -0.400 29.889 30.300 -0.019 0.000 1.046 164 R HN 0.144 nan 8.270 nan 0.000 0.508 165 T N 1.960 116.479 114.554 -0.060 0.000 2.793 165 T HA 0.032 4.364 4.350 -0.029 0.000 0.289 165 T C 1.148 175.802 174.700 -0.077 0.000 0.956 165 T CA 0.409 62.415 62.100 -0.156 0.000 1.177 165 T CB 1.182 69.853 68.868 -0.329 0.000 0.897 165 T HN -0.093 nan 8.240 nan 0.000 0.533 166 K N 1.170 121.542 120.400 -0.047 0.000 2.313 166 K HA 0.431 4.734 4.320 -0.029 0.000 0.197 166 K C 0.556 177.275 176.600 0.198 0.000 1.061 166 K CA 0.226 56.577 56.287 0.106 0.000 0.980 166 K CB 0.723 33.298 32.500 0.125 0.000 0.888 166 K HN 0.735 nan 8.250 nan 0.000 0.502 167 A N 0.664 123.504 122.820 0.034 0.000 2.610 167 A HA 0.590 4.892 4.320 -0.029 0.000 0.291 167 A C -2.071 175.473 177.584 -0.066 0.000 1.086 167 A CA -0.734 51.387 52.037 0.141 0.000 0.677 167 A CB 1.211 20.384 19.000 0.288 0.000 1.278 167 A HN 0.050 nan 8.150 nan 0.000 0.414 168 L N 0.964 122.245 121.223 0.096 0.000 2.409 168 L HA 0.762 5.084 4.340 -0.029 0.000 0.272 168 L C -1.367 175.575 176.870 0.120 0.000 0.980 168 L CA -0.425 54.453 54.840 0.064 0.000 0.826 168 L CB 1.955 44.131 42.059 0.194 0.000 1.268 168 L HN 0.510 nan 8.230 nan 0.000 0.407 169 V N 5.747 125.689 119.914 0.047 0.000 2.394 169 V HA 0.601 4.704 4.120 -0.029 0.000 0.282 169 V C -0.274 175.843 176.094 0.039 0.000 1.031 169 V CA -0.524 61.767 62.300 -0.016 0.000 0.881 169 V CB 1.504 33.188 31.823 -0.232 0.000 0.982 169 V HN 0.579 nan 8.190 nan 0.000 0.451 170 V N 4.832 124.795 119.914 0.082 0.000 2.604 170 V HA 0.505 4.607 4.120 -0.029 0.000 0.305 170 V C -0.140 176.035 176.094 0.135 0.000 1.043 170 V CA -0.683 61.724 62.300 0.177 0.000 0.888 170 V CB 1.915 33.869 31.823 0.218 0.000 0.995 170 V HN 0.945 nan 8.190 nan 0.000 0.429 171 N N 2.335 121.126 118.700 0.152 0.000 2.540 171 N HA 0.438 5.160 4.740 -0.029 0.000 0.275 171 N C -1.480 173.951 175.510 -0.131 0.000 1.053 171 N CA 0.027 53.134 53.050 0.095 0.000 0.876 171 N CB 1.495 40.144 38.487 0.269 0.000 1.284 171 N HN 0.656 nan 8.380 nan 0.000 0.518 172 S N 3.903 119.507 115.700 -0.160 0.000 2.614 172 S HA 0.477 4.929 4.470 -0.029 0.000 0.275 172 S C -2.898 171.703 174.600 0.002 0.000 1.161 172 S CA -0.963 57.058 58.200 -0.298 0.000 0.969 172 S CB 1.451 64.290 63.200 -0.601 0.000 1.059 172 S HN 0.349 nan 8.310 nan 0.000 0.482 173 P HA 0.098 nan 4.420 nan 0.000 0.266 173 P C -0.678 176.534 177.300 -0.147 0.000 1.195 173 P CA -0.107 62.921 63.100 -0.121 0.000 0.768 173 P CB 0.360 31.982 31.700 -0.131 0.000 0.838 174 N N 3.077 121.655 118.700 -0.204 0.000 2.524 174 N HA 0.089 4.811 4.740 -0.029 0.000 0.283 174 N C -0.741 174.645 175.510 -0.206 0.000 1.142 174 N CA -0.098 52.862 53.050 -0.151 0.000 0.984 174 N CB 0.340 38.771 38.487 -0.094 0.000 1.155 174 N HN 0.271 nan 8.380 nan 0.000 0.467 175 N N 2.880 121.484 118.700 -0.161 0.000 2.354 175 N HA 0.367 5.089 4.740 -0.029 0.000 0.287 175 N C -2.264 173.113 175.510 -0.222 0.000 1.016 175 N CA -2.006 50.864 53.050 -0.300 0.000 0.871 175 N CB 2.005 40.344 38.487 -0.248 0.000 1.299 175 N HN 0.371 nan 8.380 nan 0.000 0.482 176 P HA 0.095 nan 4.420 nan 0.000 0.261 176 P C 0.738 177.756 177.300 -0.470 0.000 1.268 176 P CA 0.321 62.991 63.100 -0.716 0.000 0.833 176 P CB 0.213 31.196 31.700 -1.196 0.000 1.231 177 T N -4.130 110.178 114.554 -0.411 0.000 2.942 177 T HA 0.139 4.472 4.350 -0.029 0.000 0.265 177 T C 1.731 176.352 174.700 -0.132 0.000 1.062 177 T CA 1.411 63.278 62.100 -0.388 0.000 1.139 177 T CB -1.181 67.354 68.868 -0.555 0.000 0.883 177 T HN 0.186 nan 8.240 nan 0.000 0.468 178 G N 1.372 110.107 108.800 -0.109 0.000 2.176 178 G HA2 -0.034 3.909 3.960 -0.029 0.000 0.253 178 G HA3 -0.034 3.909 3.960 -0.029 0.000 0.253 178 G C 0.296 175.199 174.900 0.005 0.000 0.979 178 G CA 0.085 45.152 45.100 -0.054 0.000 0.641 178 G HN 1.229 nan 8.290 nan 0.000 0.530 179 A N -0.482 122.362 122.820 0.040 0.000 2.407 179 A HA 0.679 4.982 4.320 -0.029 0.000 0.248 179 A C 0.320 177.929 177.584 0.042 0.000 1.082 179 A CA 0.464 52.581 52.037 0.134 0.000 0.785 179 A CB 1.102 20.286 19.000 0.307 0.000 1.020 179 A HN 1.181 nan 8.150 nan 0.000 0.489 180 V N 3.503 123.480 119.914 0.105 0.000 2.407 180 V HA 0.257 4.359 4.120 -0.029 0.000 0.291 180 V C -1.147 175.080 176.094 0.221 0.000 1.018 180 V CA -0.634 61.695 62.300 0.048 0.000 0.842 180 V CB 0.797 32.656 31.823 0.059 0.000 0.996 180 V HN 0.693 nan 8.190 nan 0.000 0.426 181 Y N 6.297 126.644 120.300 0.077 0.000 2.377 181 Y HA 0.327 4.859 4.550 -0.030 0.000 0.330 181 Y C -1.588 174.339 175.900 0.044 0.000 1.108 181 Y CA -3.339 54.800 58.100 0.065 0.000 1.308 181 Y CB -0.069 38.435 38.460 0.074 0.000 1.216 181 Y HN 0.430 nan 8.280 nan 0.000 0.518 182 P HA 0.042 nan 4.420 nan 0.000 0.271 182 P C 0.685 177.982 177.300 -0.005 0.000 1.218 182 P CA -0.367 62.772 63.100 0.065 0.000 0.780 182 P CB 1.266 32.983 31.700 0.030 0.000 0.901 183 K N 2.009 122.333 120.400 -0.127 0.000 2.107 183 K HA -0.264 4.038 4.320 -0.029 0.000 0.211 183 K C 1.414 177.781 176.600 -0.387 0.000 1.049 183 K CA 2.094 58.108 56.287 -0.454 0.000 0.927 183 K CB -0.137 31.977 32.500 -0.643 0.000 0.714 183 K HN 0.274 nan 8.250 nan 0.000 0.452 184 E N 0.245 120.315 120.200 -0.215 0.000 2.085 184 E HA -0.159 4.173 4.350 -0.029 0.000 0.194 184 E C 1.964 178.514 176.600 -0.083 0.000 0.994 184 E CA 1.476 57.790 56.400 -0.143 0.000 0.801 184 E CB -0.153 29.492 29.700 -0.091 0.000 0.743 184 E HN 0.157 nan 8.360 nan 0.000 0.453 185 V N 0.428 120.315 119.914 -0.045 0.000 2.307 185 V HA -0.203 3.900 4.120 -0.029 0.000 0.245 185 V C 2.053 178.169 176.094 0.036 0.000 1.045 185 V CA 1.105 63.397 62.300 -0.013 0.000 1.024 185 V CB -0.407 31.400 31.823 -0.027 0.000 0.651 185 V HN 0.222 nan 8.190 nan 0.000 0.449 186 L N 0.144 121.418 121.223 0.086 0.000 2.079 186 L HA -0.166 4.156 4.340 -0.029 0.000 0.210 186 L C 2.472 179.439 176.870 0.162 0.000 1.081 186 L CA 1.747 56.700 54.840 0.188 0.000 0.752 186 L CB -1.258 41.009 42.059 0.347 0.000 0.896 186 L HN 0.454 nan 8.230 nan 0.000 0.433 187 E N -0.949 119.287 120.200 0.061 0.000 2.106 187 E HA -0.154 4.179 4.350 -0.029 0.000 0.192 187 E C 2.243 178.860 176.600 0.028 0.000 0.984 187 E CA 1.012 57.443 56.400 0.052 0.000 0.806 187 E CB -0.136 29.528 29.700 -0.061 0.000 0.750 187 E HN 0.486 nan 8.360 nan 0.000 0.458 188 A N 1.356 124.182 122.820 0.010 0.000 1.902 188 A HA -0.155 4.147 4.320 -0.029 0.000 0.217 188 A C 2.198 179.801 177.584 0.032 0.000 1.181 188 A CA 1.057 53.100 52.037 0.010 0.000 0.623 188 A CB -0.610 18.391 19.000 0.002 0.000 0.818 188 A HN 0.123 nan 8.150 nan 0.000 0.443 189 L N -0.924 120.334 121.223 0.058 0.000 2.093 189 L HA -0.154 4.168 4.340 -0.029 0.000 0.208 189 L C 3.058 179.967 176.870 0.066 0.000 1.085 189 L CA 0.941 55.835 54.840 0.090 0.000 0.755 189 L CB -0.533 41.600 42.059 0.124 0.000 0.904 189 L HN 0.438 nan 8.230 nan 0.000 0.435 190 A N 0.171 123.022 122.820 0.051 0.000 1.930 190 A HA -0.175 4.127 4.320 -0.029 0.000 0.217 190 A C 2.386 179.909 177.584 -0.102 0.000 1.175 190 A CA 1.240 53.275 52.037 -0.003 0.000 0.627 190 A CB -0.391 18.635 19.000 0.044 0.000 0.815 190 A HN 0.316 nan 8.150 nan 0.000 0.443 191 R N -0.543 119.916 120.500 -0.068 0.000 2.075 191 R HA 0.000 4.323 4.340 -0.029 0.000 0.232 191 R C 1.981 178.202 176.300 -0.133 0.000 1.126 191 R CA 1.295 57.332 56.100 -0.105 0.000 0.963 191 R CB -0.508 29.759 30.300 -0.055 0.000 0.858 191 R HN 0.487 nan 8.270 nan 0.000 0.435 192 L N 0.242 121.429 121.223 -0.059 0.000 2.083 192 L HA -0.175 4.148 4.340 -0.029 0.000 0.209 192 L C 2.646 179.353 176.870 -0.272 0.000 1.083 192 L CA 1.195 56.050 54.840 0.024 0.000 0.752 192 L CB -0.552 41.605 42.059 0.164 0.000 0.899 192 L HN 0.264 nan 8.230 nan 0.000 0.433 193 A N -0.499 121.970 122.820 -0.585 0.000 1.898 193 A HA -0.117 4.186 4.320 -0.029 0.000 0.216 193 A C 2.297 179.389 177.584 -0.820 0.000 1.181 193 A CA 1.566 52.873 52.037 -1.216 0.000 0.620 193 A CB -0.626 17.984 19.000 -0.650 0.000 0.819 193 A HN 0.194 nan 8.150 nan 0.000 0.442 194 V N -0.130 119.364 119.914 -0.700 0.000 2.323 194 V HA -0.235 3.867 4.120 -0.029 0.000 0.244 194 V C 2.492 178.356 176.094 -0.383 0.000 1.041 194 V CA 2.150 63.995 62.300 -0.759 0.000 1.025 194 V CB -0.742 30.742 31.823 -0.564 0.000 0.656 194 V HN 0.758 nan 8.190 nan 0.000 0.451 195 E N -0.063 119.946 120.200 -0.318 0.000 2.070 195 E HA -0.273 4.060 4.350 -0.029 0.000 0.197 195 E C 1.826 178.187 176.600 -0.399 0.000 1.004 195 E CA 2.007 58.216 56.400 -0.318 0.000 0.805 195 E CB -0.070 29.451 29.700 -0.298 0.000 0.744 195 E HN 0.812 nan 8.360 nan 0.000 0.451 196 H N -0.753 118.229 119.070 -0.146 0.000 2.586 196 H HA 0.139 4.677 4.556 -0.029 0.000 0.273 196 H C -0.490 174.851 175.328 0.022 0.000 0.997 196 H CA 0.505 56.552 56.048 -0.003 0.000 1.177 196 H CB 0.613 30.488 29.762 0.188 0.000 1.471 196 H HN 0.137 nan 8.280 nan 0.000 0.538 197 D N 0.268 120.651 120.400 -0.029 0.000 2.828 197 D HA -0.194 4.428 4.640 -0.029 0.000 0.241 197 D C -0.996 175.361 176.300 0.095 0.000 1.142 197 D CA 0.728 54.754 54.000 0.044 0.000 0.755 197 D CB -1.296 39.532 40.800 0.046 0.000 1.014 197 D HN 0.400 nan 8.370 nan 0.000 0.420 198 F N -1.179 118.817 119.950 0.077 0.000 2.692 198 F HA 0.723 5.233 4.527 -0.030 0.000 0.320 198 F C -0.934 174.860 175.800 -0.010 0.000 1.123 198 F CA -1.586 56.399 58.000 -0.026 0.000 0.961 198 F CB 0.644 39.676 39.000 0.054 0.000 1.383 198 F HN -0.167 nan 8.300 nan 0.000 0.483 199 Y N 1.899 122.473 120.300 0.458 0.000 2.299 199 Y HA 0.478 5.010 4.550 -0.029 0.000 0.326 199 Y C 0.026 176.146 175.900 0.366 0.000 1.164 199 Y CA -0.862 57.412 58.100 0.289 0.000 1.234 199 Y CB 1.140 39.692 38.460 0.153 0.000 1.219 199 Y HN 0.544 nan 8.280 nan 0.000 0.497 200 L N 4.986 126.449 121.223 0.400 0.000 2.294 200 L HA 0.464 4.786 4.340 -0.029 0.000 0.283 200 L C -1.297 175.682 176.870 0.182 0.000 1.015 200 L CA -0.737 54.277 54.840 0.290 0.000 0.831 200 L CB 0.735 42.913 42.059 0.199 0.000 1.217 200 L HN 0.406 nan 8.230 nan 0.000 0.420 201 V N 4.407 124.406 119.914 0.141 0.000 2.368 201 V HA 0.235 4.337 4.120 -0.029 0.000 0.266 201 V C 0.601 176.718 176.094 0.038 0.000 1.045 201 V CA -0.223 62.101 62.300 0.040 0.000 0.899 201 V CB 1.219 33.035 31.823 -0.011 0.000 1.006 201 V HN 0.857 nan 8.190 nan 0.000 0.470 202 S N 3.553 119.268 115.700 0.025 0.000 2.461 202 S HA 0.246 4.699 4.470 -0.029 0.000 0.322 202 S C -0.430 174.191 174.600 0.036 0.000 1.063 202 S CA -0.668 57.556 58.200 0.040 0.000 1.120 202 S CB 0.442 63.661 63.200 0.033 0.000 0.968 202 S HN 0.797 nan 8.310 nan 0.000 0.467 203 D N 3.958 124.392 120.400 0.057 0.000 2.393 203 D HA 0.179 4.801 4.640 -0.029 0.000 0.232 203 D C 0.263 176.587 176.300 0.039 0.000 1.192 203 D CA -0.100 53.934 54.000 0.057 0.000 0.882 203 D CB 0.709 41.596 40.800 0.145 0.000 1.038 203 D HN 0.653 nan 8.370 nan 0.000 0.499 204 E N 2.849 123.059 120.200 0.018 0.000 2.496 204 E HA 0.053 4.385 4.350 -0.029 0.000 0.202 204 E C 1.437 177.933 176.600 -0.173 0.000 1.021 204 E CA -0.103 56.302 56.400 0.009 0.000 1.015 204 E CB 0.230 30.020 29.700 0.150 0.000 1.102 204 E HN 0.507 nan 8.360 nan 0.000 0.452 205 I N -1.470 118.944 120.570 -0.259 0.000 2.530 205 I HA -0.259 3.893 4.170 -0.029 0.000 0.257 205 I C 1.291 177.060 176.117 -0.580 0.000 1.179 205 I CA 1.450 62.479 61.300 -0.452 0.000 1.440 205 I CB -0.841 36.797 38.000 -0.603 0.000 1.087 205 I HN 0.107 nan 8.210 nan 0.000 0.440 206 Y N 1.738 121.859 120.300 -0.298 0.000 2.493 206 Y HA 0.136 4.669 4.550 -0.028 0.000 0.275 206 Y C 2.168 177.836 175.900 -0.387 0.000 1.183 206 Y CA -0.020 57.882 58.100 -0.329 0.000 1.258 206 Y CB -0.812 37.450 38.460 -0.331 0.000 1.108 206 Y HN 0.406 nan 8.280 nan 0.000 0.521 207 E N -0.447 119.474 120.200 -0.465 0.000 2.147 207 E HA -0.307 4.025 4.350 -0.029 0.000 0.199 207 E C 0.766 177.068 176.600 -0.498 0.000 1.005 207 E CA 2.287 58.213 56.400 -0.790 0.000 0.810 207 E CB -0.564 28.398 29.700 -1.229 0.000 0.736 207 E HN 0.633 nan 8.360 nan 0.000 0.460 208 H N 0.012 118.937 119.070 -0.241 0.000 2.548 208 H HA 0.208 4.746 4.556 -0.030 0.000 0.268 208 H C 0.367 175.618 175.328 -0.129 0.000 0.975 208 H CA 0.051 56.002 56.048 -0.161 0.000 1.195 208 H CB 0.308 29.974 29.762 -0.161 0.000 1.397 208 H HN 0.098 nan 8.280 nan 0.000 0.572 209 L N 1.991 123.181 121.223 -0.055 0.000 2.598 209 L HA 0.227 4.549 4.340 -0.029 0.000 0.241 209 L C -0.961 175.630 176.870 -0.464 0.000 1.244 209 L CA -0.373 54.390 54.840 -0.130 0.000 1.198 209 L CB 0.108 42.147 42.059 -0.034 0.000 1.448 209 L HN 0.136 nan 8.230 nan 0.000 0.406 210 L N 0.306 121.251 121.223 -0.463 0.000 2.349 210 L HA 0.359 4.681 4.340 -0.029 0.000 0.278 210 L C 0.050 176.623 176.870 -0.495 0.000 0.996 210 L CA -0.154 54.406 54.840 -0.466 0.000 0.825 210 L CB 1.541 43.504 42.059 -0.161 0.000 1.243 210 L HN 0.112 nan 8.230 nan 0.000 0.412 211 Y N 1.920 122.268 120.300 0.080 0.000 2.436 211 Y HA 0.309 4.846 4.550 -0.021 0.000 0.288 211 Y C 0.497 176.435 175.900 0.063 0.000 1.112 211 Y CA -0.189 57.958 58.100 0.078 0.000 1.220 211 Y CB 0.222 38.732 38.460 0.084 0.000 1.073 211 Y HN 0.542 nan 8.280 nan 0.000 0.552 212 E N -0.716 119.565 120.200 0.136 0.000 2.363 212 E HA 0.506 4.839 4.350 -0.029 0.000 0.281 212 E C -0.030 176.617 176.600 0.078 0.000 0.953 212 E CA -0.250 56.213 56.400 0.105 0.000 0.778 212 E CB 1.885 31.654 29.700 0.114 0.000 1.220 212 E HN 0.225 nan 8.360 nan 0.000 0.431 213 G N 1.856 110.698 108.800 0.070 0.000 2.526 213 G HA2 -0.094 3.848 3.960 -0.029 0.000 0.250 213 G HA3 -0.094 3.848 3.960 -0.029 0.000 0.250 213 G C -1.175 173.768 174.900 0.072 0.000 1.289 213 G CA -0.353 44.787 45.100 0.067 0.000 0.947 213 G HN 0.633 nan 8.290 nan 0.000 0.517 214 E N -0.687 119.563 120.200 0.083 0.000 2.343 214 E HA 0.447 4.779 4.350 -0.029 0.000 0.270 214 E C -1.192 175.493 176.600 0.142 0.000 0.895 214 E CA -0.873 55.592 56.400 0.108 0.000 0.767 214 E CB 2.249 32.012 29.700 0.104 0.000 1.248 214 E HN 0.622 nan 8.360 nan 0.000 0.440 215 H N 1.839 120.948 119.070 0.064 0.000 2.705 215 H HA 0.259 4.797 4.556 -0.029 0.000 0.291 215 H C -1.519 173.883 175.328 0.122 0.000 1.085 215 H CA -0.295 55.787 56.048 0.058 0.000 1.357 215 H CB 0.015 29.767 29.762 -0.017 0.000 1.419 215 H HN 0.303 nan 8.280 nan 0.000 0.462 216 F N 3.759 123.465 119.950 -0.407 0.000 2.421 216 F HA 0.447 4.956 4.527 -0.030 0.000 0.337 216 F C -0.554 175.021 175.800 -0.375 0.000 1.105 216 F CA -0.548 57.291 58.000 -0.269 0.000 1.049 216 F CB 1.366 40.293 39.000 -0.121 0.000 1.139 216 F HN 0.426 nan 8.300 nan 0.000 0.479 217 S N 8.063 123.157 115.700 -1.011 0.000 2.448 217 S HA 0.256 4.708 4.470 -0.029 0.000 0.320 217 S C -1.923 172.184 174.600 -0.821 0.000 1.071 217 S CA -1.001 56.795 58.200 -0.673 0.000 1.113 217 S CB 1.478 64.473 63.200 -0.343 0.000 0.972 217 S HN 0.513 nan 8.310 nan 0.000 0.465 218 P HA -0.117 nan 4.420 nan 0.000 0.218 218 P C 1.604 178.841 177.300 -0.105 0.000 1.146 218 P CA 0.845 63.892 63.100 -0.089 0.000 0.813 218 P CB 0.013 31.740 31.700 0.044 0.000 0.778 219 G N -0.279 108.434 108.800 -0.145 0.000 2.501 219 G HA2 -0.253 3.690 3.960 -0.029 0.000 0.220 219 G HA3 -0.253 3.690 3.960 -0.029 0.000 0.220 219 G C 1.505 176.349 174.900 -0.093 0.000 1.114 219 G CA 0.332 45.374 45.100 -0.098 0.000 0.757 219 G HN 0.291 nan 8.290 nan 0.000 0.559 220 R N -0.451 119.955 120.500 -0.157 0.000 2.092 220 R HA 0.017 4.340 4.340 -0.029 0.000 0.231 220 R C 2.467 178.765 176.300 -0.003 0.000 1.119 220 R CA 1.050 57.096 56.100 -0.090 0.000 0.970 220 R CB -0.285 29.933 30.300 -0.137 0.000 0.864 220 R HN 0.337 nan 8.270 nan 0.000 0.440 221 V N 0.305 120.237 119.914 0.029 0.000 2.331 221 V HA 0.034 4.137 4.120 -0.029 0.000 0.242 221 V C 1.064 177.166 176.094 0.013 0.000 1.034 221 V CA 1.465 63.798 62.300 0.055 0.000 1.027 221 V CB 0.009 31.897 31.823 0.109 0.000 0.667 221 V HN 0.305 nan 8.190 nan 0.000 0.457 222 A N 0.676 123.500 122.820 0.006 0.000 3.064 222 A HA 0.508 4.811 4.320 -0.029 0.000 0.339 222 A C -1.311 176.311 177.584 0.063 0.000 1.078 222 A CA -0.992 51.053 52.037 0.013 0.000 0.869 222 A CB 0.263 19.227 19.000 -0.060 0.000 1.067 222 A HN 0.319 nan 8.150 nan 0.000 0.480 223 P HA -0.197 nan 4.420 nan 0.000 0.218 223 P C 0.650 177.978 177.300 0.046 0.000 1.148 223 P CA 1.325 64.439 63.100 0.024 0.000 0.822 223 P CB 0.339 32.042 31.700 0.005 0.000 0.784 224 E N -1.856 118.396 120.200 0.087 0.000 2.489 224 E HA -0.046 4.287 4.350 -0.029 0.000 0.193 224 E C 0.886 177.451 176.600 -0.058 0.000 1.057 224 E CA 0.212 56.628 56.400 0.027 0.000 0.866 224 E CB -0.201 29.495 29.700 -0.007 0.000 0.916 224 E HN 0.506 nan 8.360 nan 0.000 0.500 225 H N -1.412 117.668 119.070 0.017 0.000 3.255 225 H HA 0.153 4.691 4.556 -0.029 0.000 0.256 225 H C -0.095 175.316 175.328 0.138 0.000 1.049 225 H CA 0.297 56.365 56.048 0.033 0.000 1.202 225 H CB 1.060 30.778 29.762 -0.072 0.000 1.497 225 H HN -0.127 nan 8.280 nan 0.000 0.503 226 T N 1.654 116.316 114.554 0.180 0.000 2.799 226 T HA 0.469 4.801 4.350 -0.029 0.000 0.286 226 T C -0.237 174.480 174.700 0.029 0.000 0.973 226 T CA -0.521 61.642 62.100 0.105 0.000 1.035 226 T CB 1.411 70.304 68.868 0.042 0.000 0.932 226 T HN 0.056 nan 8.240 nan 0.000 0.469 227 L N 3.361 124.584 121.223 0.001 0.000 2.318 227 L HA 0.350 4.673 4.340 -0.029 0.000 0.277 227 L C 0.234 177.049 176.870 -0.092 0.000 1.008 227 L CA -0.580 54.210 54.840 -0.084 0.000 0.846 227 L CB 1.262 43.240 42.059 -0.136 0.000 1.220 227 L HN 0.644 nan 8.230 nan 0.000 0.423 228 T N 2.837 117.304 114.554 -0.145 0.000 2.743 228 T HA 0.392 4.724 4.350 -0.029 0.000 0.293 228 T C 0.045 174.691 174.700 -0.089 0.000 0.945 228 T CA -0.315 61.708 62.100 -0.130 0.000 1.030 228 T CB 1.267 69.998 68.868 -0.227 0.000 0.912 228 T HN 0.110 nan 8.240 nan 0.000 0.483 229 V N 5.286 125.189 119.914 -0.018 0.000 2.435 229 V HA 0.588 4.690 4.120 -0.029 0.000 0.290 229 V C 0.241 176.353 176.094 0.030 0.000 1.030 229 V CA -0.716 61.588 62.300 0.006 0.000 0.881 229 V CB 1.635 33.449 31.823 -0.015 0.000 0.983 229 V HN 0.801 nan 8.190 nan 0.000 0.445 230 N N 1.552 120.266 118.700 0.025 0.000 3.344 230 N HA 0.793 5.515 4.740 -0.029 0.000 0.296 230 N C -0.599 174.643 175.510 -0.447 0.000 1.571 230 N CA 0.313 53.314 53.050 -0.081 0.000 0.844 230 N CB 2.521 41.129 38.487 0.200 0.000 1.718 230 N HN 0.919 nan 8.380 nan 0.000 0.589 231 G N -1.578 106.820 108.800 -0.669 0.000 2.368 231 G HA2 0.500 4.442 3.960 -0.029 0.000 0.293 231 G HA3 0.500 4.442 3.960 -0.029 0.000 0.293 231 G C -0.559 174.063 174.900 -0.463 0.000 1.467 231 G CA 0.212 44.740 45.100 -0.954 0.000 0.804 231 G HN 0.580 nan 8.290 nan 0.000 0.535 232 A N -0.367 122.322 122.820 -0.219 0.000 2.178 232 A HA 0.560 4.862 4.320 -0.029 0.000 0.211 232 A C 2.537 180.121 177.584 0.000 0.000 1.157 232 A CA 1.827 53.928 52.037 0.108 0.000 0.780 232 A CB -0.616 18.556 19.000 0.286 0.000 0.828 232 A HN 2.060 nan 8.150 nan 0.000 0.476 233 A N 1.205 123.982 122.820 -0.071 0.000 1.859 233 A HA -0.255 4.047 4.320 -0.029 0.000 0.218 233 A C 2.066 179.650 177.584 0.001 0.000 1.242 233 A CA 2.132 54.154 52.037 -0.025 0.000 0.661 233 A CB -0.435 18.526 19.000 -0.064 0.000 0.842 233 A HN 0.377 nan 8.150 nan 0.000 0.455 234 K N -0.590 119.750 120.400 -0.100 0.000 2.137 234 K HA 0.183 4.485 4.320 -0.029 0.000 0.202 234 K C 2.249 178.880 176.600 0.051 0.000 1.052 234 K CA 1.151 57.444 56.287 0.011 0.000 0.961 234 K CB -0.857 31.526 32.500 -0.195 0.000 0.741 234 K HN 0.470 nan 8.250 nan 0.000 0.452 235 A N 0.884 123.600 122.820 -0.173 0.000 1.898 235 A HA -0.074 4.229 4.320 -0.029 0.000 0.216 235 A C 1.209 178.619 177.584 -0.290 0.000 1.181 235 A CA 1.218 53.057 52.037 -0.330 0.000 0.620 235 A CB -0.408 18.183 19.000 -0.683 0.000 0.819 235 A HN 0.227 nan 8.150 nan 0.000 0.442 236 F N -1.443 118.603 119.950 0.159 0.000 2.668 236 F HA 0.580 5.090 4.527 -0.029 0.000 0.301 236 F C 1.196 176.948 175.800 -0.081 0.000 1.106 236 F CA -0.628 57.377 58.000 0.008 0.000 1.289 236 F CB -0.434 38.460 39.000 -0.176 0.000 1.006 236 F HN 0.306 nan 8.300 nan 0.000 0.535 237 A N 0.764 123.739 122.820 0.259 0.000 2.610 237 A HA -0.263 4.040 4.320 -0.029 0.000 0.299 237 A C 0.603 178.289 177.584 0.170 0.000 1.487 237 A CA 1.071 53.263 52.037 0.257 0.000 0.743 237 A CB -2.184 17.029 19.000 0.356 0.000 1.070 237 A HN 0.473 nan 8.150 nan 0.000 0.439 238 M N 0.160 119.847 119.600 0.144 0.000 2.876 238 M HA 0.063 4.525 4.480 -0.029 0.000 0.367 238 M C 1.697 178.167 176.300 0.283 0.000 1.242 238 M CA 0.597 56.001 55.300 0.173 0.000 0.889 238 M CB 0.178 32.691 32.600 -0.145 0.000 1.353 238 M HN 0.756 nan 8.290 nan 0.000 0.511 239 T N -2.671 112.024 114.554 0.234 0.000 2.759 239 T HA -0.109 4.224 4.350 -0.029 0.000 0.269 239 T C 1.801 176.613 174.700 0.186 0.000 1.042 239 T CA 1.784 63.992 62.100 0.179 0.000 1.140 239 T CB -0.483 68.480 68.868 0.158 0.000 0.864 239 T HN 0.575 nan 8.240 nan 0.000 0.455 240 G N -0.746 108.183 108.800 0.215 0.000 2.712 240 G HA2 0.094 4.037 3.960 -0.029 0.000 0.212 240 G HA3 0.094 4.037 3.960 -0.029 0.000 0.212 240 G C 0.928 175.874 174.900 0.077 0.000 1.142 240 G CA -0.218 44.944 45.100 0.104 0.000 0.789 240 G HN 0.587 nan 8.290 nan 0.000 0.535 241 W N 0.143 121.458 121.300 0.026 0.000 2.584 241 W HA 0.262 4.903 4.660 -0.031 0.000 0.264 241 W C 0.851 177.384 176.519 0.023 0.000 1.264 241 W CA -0.143 57.217 57.345 0.024 0.000 1.306 241 W CB 0.322 29.797 29.460 0.026 0.000 1.110 241 W HN -0.028 nan 8.180 nan 0.000 0.606 242 R N 0.201 120.839 120.500 0.231 0.000 3.209 242 R HA -0.174 4.148 4.340 -0.029 0.000 0.252 242 R C -0.953 175.421 176.300 0.123 0.000 0.958 242 R CA 0.678 56.858 56.100 0.133 0.000 0.651 242 R CB -2.841 27.511 30.300 0.087 0.000 1.142 242 R HN 0.107 nan 8.270 nan 0.000 0.441 243 I N 0.116 120.756 120.570 0.117 0.000 2.439 243 I HA 0.492 4.644 4.170 -0.029 0.000 0.285 243 I C 1.050 177.152 176.117 -0.026 0.000 1.021 243 I CA -0.275 61.080 61.300 0.092 0.000 1.091 243 I CB 1.867 39.953 38.000 0.144 0.000 1.242 243 I HN 0.315 nan 8.210 nan 0.000 0.439 244 G N 5.876 114.639 108.800 -0.062 0.000 2.714 244 G HA2 0.830 4.772 3.960 -0.029 0.000 0.292 244 G HA3 0.830 4.772 3.960 -0.029 0.000 0.292 244 G C -1.877 172.926 174.900 -0.162 0.000 1.308 244 G CA -0.413 44.510 45.100 -0.295 0.000 0.964 244 G HN 0.477 nan 8.290 nan 0.000 0.484 245 Y N -2.906 117.439 120.300 0.075 0.000 2.624 245 Y HA 0.824 5.356 4.550 -0.029 0.000 0.334 245 Y C -0.185 175.827 175.900 0.186 0.000 1.155 245 Y CA -1.436 56.739 58.100 0.125 0.000 1.046 245 Y CB 1.192 39.735 38.460 0.138 0.000 1.316 245 Y HN 1.060 nan 8.280 nan 0.000 0.457 246 A N 0.397 123.426 122.820 0.349 0.000 2.609 246 A HA 0.913 5.216 4.320 -0.029 0.000 0.291 246 A C -1.111 176.444 177.584 -0.048 0.000 1.096 246 A CA -0.339 51.774 52.037 0.127 0.000 0.684 246 A CB 1.042 20.048 19.000 0.011 0.000 1.282 246 A HN 1.815 nan 8.150 nan 0.000 0.412 247 C N -0.961 118.136 119.300 -0.339 0.000 3.173 247 C HA 1.085 5.528 4.460 -0.029 0.000 0.310 247 C C 0.318 175.144 174.990 -0.274 0.000 1.306 247 C CA 0.204 58.999 59.018 -0.372 0.000 1.426 247 C CB 1.096 28.401 27.740 -0.725 0.000 1.800 247 C HN 2.713 nan 8.230 nan 0.000 0.470 248 G N 0.770 109.463 108.800 -0.178 0.000 2.344 248 G HA2 0.553 4.495 3.960 -0.029 0.000 0.282 248 G HA3 0.553 4.495 3.960 -0.029 0.000 0.282 248 G C -3.569 171.289 174.900 -0.070 0.000 1.281 248 G CA -0.724 44.306 45.100 -0.117 0.000 0.877 248 G HN 0.593 nan 8.290 nan 0.000 0.494 249 P HA 0.128 nan 4.420 nan 0.000 0.261 249 P C 0.783 178.068 177.300 -0.025 0.000 1.183 249 P CA 0.283 63.375 63.100 -0.013 0.000 0.761 249 P CB 0.954 32.674 31.700 0.033 0.000 0.785 250 K N 4.476 124.864 120.400 -0.020 0.000 2.089 250 K HA -0.270 4.032 4.320 -0.029 0.000 0.210 250 K C 1.667 178.257 176.600 -0.018 0.000 1.048 250 K CA 2.213 58.488 56.287 -0.019 0.000 0.926 250 K CB -0.014 32.478 32.500 -0.013 0.000 0.714 250 K HN 0.573 nan 8.250 nan 0.000 0.448 251 E N -0.245 119.949 120.200 -0.011 0.000 2.153 251 E HA -0.149 4.184 4.350 -0.029 0.000 0.194 251 E C 1.757 178.343 176.600 -0.023 0.000 0.988 251 E CA 1.426 57.821 56.400 -0.008 0.000 0.811 251 E CB -0.183 29.520 29.700 0.006 0.000 0.746 251 E HN 0.128 nan 8.360 nan 0.000 0.466 252 V N 1.386 121.275 119.914 -0.041 0.000 2.407 252 V HA -0.185 3.918 4.120 -0.029 0.000 0.245 252 V C 2.422 178.465 176.094 -0.086 0.000 1.041 252 V CA 1.021 63.264 62.300 -0.095 0.000 1.040 252 V CB -0.364 31.351 31.823 -0.179 0.000 0.671 252 V HN 0.317 nan 8.190 nan 0.000 0.455 253 I N 0.709 121.239 120.570 -0.067 0.000 2.226 253 I HA -0.245 3.908 4.170 -0.029 0.000 0.245 253 I C 2.489 178.586 176.117 -0.032 0.000 1.100 253 I CA 1.879 63.148 61.300 -0.051 0.000 1.374 253 I CB -1.108 36.867 38.000 -0.041 0.000 1.057 253 I HN 0.433 nan 8.210 nan 0.000 0.413 254 K N 1.514 121.898 120.400 -0.026 0.000 2.057 254 K HA -0.164 4.139 4.320 -0.029 0.000 0.207 254 K C 2.184 178.774 176.600 -0.017 0.000 1.049 254 K CA 1.693 57.970 56.287 -0.017 0.000 0.931 254 K CB -0.032 32.460 32.500 -0.013 0.000 0.714 254 K HN 0.199 nan 8.250 nan 0.000 0.440 255 A N 1.415 124.219 122.820 -0.026 0.000 1.902 255 A HA -0.145 4.157 4.320 -0.029 0.000 0.217 255 A C 2.180 179.749 177.584 -0.025 0.000 1.181 255 A CA 1.729 53.750 52.037 -0.026 0.000 0.623 255 A CB -0.473 18.504 19.000 -0.038 0.000 0.818 255 A HN 0.399 nan 8.150 nan 0.000 0.443 256 M N -0.616 118.962 119.600 -0.036 0.000 2.159 256 M HA -0.144 4.319 4.480 -0.029 0.000 0.263 256 M C 2.473 178.775 176.300 0.003 0.000 1.063 256 M CA 1.397 56.682 55.300 -0.024 0.000 1.110 256 M CB -0.348 32.227 32.600 -0.040 0.000 1.374 256 M HN 0.481 nan 8.290 nan 0.000 0.411 257 A N -0.649 122.172 122.820 0.001 0.000 1.969 257 A HA -0.112 4.190 4.320 -0.029 0.000 0.218 257 A C 2.248 179.839 177.584 0.012 0.000 1.169 257 A CA 1.889 53.932 52.037 0.010 0.000 0.635 257 A CB -0.630 18.373 19.000 0.005 0.000 0.810 257 A HN 0.428 nan 8.150 nan 0.000 0.445 258 S N -0.418 115.286 115.700 0.007 0.000 2.383 258 S HA -0.109 4.343 4.470 -0.029 0.000 0.227 258 S C 1.851 176.464 174.600 0.021 0.000 1.026 258 S CA 1.394 59.599 58.200 0.008 0.000 0.981 258 S CB -0.334 62.868 63.200 0.003 0.000 0.818 258 S HN 0.369 nan 8.310 nan 0.000 0.472 259 V N 1.490 121.422 119.914 0.029 0.000 2.427 259 V HA -0.115 3.987 4.120 -0.029 0.000 0.248 259 V C 2.349 178.488 176.094 0.073 0.000 1.051 259 V CA 1.645 63.980 62.300 0.057 0.000 1.048 259 V CB -0.843 31.020 31.823 0.066 0.000 0.666 259 V HN 0.402 nan 8.190 nan 0.000 0.456 260 S N -0.497 115.239 115.700 0.060 0.000 2.368 260 S HA -0.201 4.251 4.470 -0.029 0.000 0.224 260 S C 2.127 176.749 174.600 0.038 0.000 1.029 260 S CA 1.522 59.757 58.200 0.058 0.000 0.988 260 S CB -0.371 62.858 63.200 0.049 0.000 0.838 260 S HN 0.522 nan 8.310 nan 0.000 0.462 261 R N 0.905 121.418 120.500 0.021 0.000 2.105 261 R HA -0.082 4.240 4.340 -0.029 0.000 0.239 261 R C 1.342 177.643 176.300 0.002 0.000 1.135 261 R CA 1.200 57.300 56.100 -0.000 0.000 0.967 261 R CB -0.065 30.230 30.300 -0.007 0.000 0.861 261 R HN 0.278 nan 8.270 nan 0.000 0.442 262 Q N -0.684 119.129 119.800 0.022 0.000 2.320 262 Q HA 0.048 4.370 4.340 -0.029 0.000 0.201 262 Q C 1.092 177.119 176.000 0.045 0.000 0.910 262 Q CA 0.671 56.490 55.803 0.028 0.000 0.946 262 Q CB 1.347 30.105 28.738 0.034 0.000 1.062 262 Q HN 0.442 nan 8.270 nan 0.000 0.503 263 S N -1.272 114.459 115.700 0.051 0.000 3.597 263 S HA 0.002 4.454 4.470 -0.029 0.000 0.206 263 S C 1.759 176.383 174.600 0.041 0.000 0.948 263 S CA 0.569 58.804 58.200 0.058 0.000 0.863 263 S CB -0.339 62.916 63.200 0.091 0.000 1.015 263 S HN 0.202 nan 8.310 nan 0.000 0.616 264 T N -1.431 113.149 114.554 0.042 0.000 3.044 264 T HA 0.317 4.649 4.350 -0.029 0.000 0.250 264 T C 1.098 175.829 174.700 0.051 0.000 1.081 264 T CA 1.079 63.204 62.100 0.042 0.000 1.040 264 T CB -0.306 68.586 68.868 0.040 0.000 0.962 264 T HN 0.508 nan 8.240 nan 0.000 0.506 265 T N 0.213 114.786 114.554 0.032 0.000 13.029 265 T HA -0.223 4.109 4.350 -0.029 0.000 0.417 265 T C 0.252 174.969 174.700 0.029 0.000 1.457 265 T CA 1.512 63.616 62.100 0.006 0.000 2.388 265 T CB -1.810 67.050 68.868 -0.012 0.000 2.799 265 T HN 0.933 nan 8.240 nan 0.000 0.661 266 S N 0.772 116.513 115.700 0.068 0.000 2.622 266 S HA 0.540 4.993 4.470 -0.029 0.000 0.275 266 S C -3.167 171.485 174.600 0.087 0.000 1.112 266 S CA -0.959 57.286 58.200 0.075 0.000 0.837 266 S CB 1.628 64.881 63.200 0.088 0.000 1.082 266 S HN 0.165 nan 8.310 nan 0.000 0.456 267 P HA 0.224 nan 4.420 nan 0.000 0.274 267 P C -1.098 176.257 177.300 0.091 0.000 1.246 267 P CA -0.323 62.825 63.100 0.080 0.000 0.795 267 P CB 0.319 32.065 31.700 0.078 0.000 1.006 268 D N 0.310 120.766 120.400 0.093 0.000 2.581 268 D HA -0.068 4.554 4.640 -0.029 0.000 0.238 268 D C 0.724 177.099 176.300 0.124 0.000 1.145 268 D CA 0.856 54.915 54.000 0.099 0.000 0.866 268 D CB 0.468 41.324 40.800 0.093 0.000 1.151 268 D HN 0.232 nan 8.370 nan 0.000 0.500 269 T N 4.365 119.000 114.554 0.136 0.000 2.746 269 T HA -0.146 4.186 4.350 -0.029 0.000 0.267 269 T C 1.991 176.875 174.700 0.307 0.000 1.039 269 T CA 0.815 63.033 62.100 0.196 0.000 1.142 269 T CB 0.007 69.006 68.868 0.219 0.000 0.866 269 T HN 0.432 nan 8.240 nan 0.000 0.444 270 I N 1.662 122.383 120.570 0.253 0.000 2.226 270 I HA -0.102 4.050 4.170 -0.029 0.000 0.245 270 I C 2.723 179.048 176.117 0.346 0.000 1.100 270 I CA 1.095 62.566 61.300 0.285 0.000 1.374 270 I CB -0.592 37.510 38.000 0.171 0.000 1.057 270 I HN 0.167 nan 8.210 nan 0.000 0.413 271 A N -0.423 122.591 122.820 0.323 0.000 1.969 271 A HA -0.220 4.083 4.320 -0.029 0.000 0.218 271 A C 2.269 179.982 177.584 0.215 0.000 1.169 271 A CA 1.360 53.650 52.037 0.422 0.000 0.635 271 A CB -0.537 18.711 19.000 0.414 0.000 0.810 271 A HN 0.500 nan 8.150 nan 0.000 0.445 272 Q N -1.646 118.230 119.800 0.126 0.000 2.079 272 Q HA -0.213 4.110 4.340 -0.029 0.000 0.200 272 Q C 1.900 177.823 176.000 -0.129 0.000 0.974 272 Q CA 1.608 57.385 55.803 -0.043 0.000 0.840 272 Q CB -0.222 28.427 28.738 -0.148 0.000 0.898 272 Q HN 0.909 nan 8.270 nan 0.000 0.430 273 W N 0.289 121.609 121.300 0.033 0.000 2.436 273 W HA -0.054 4.588 4.660 -0.030 0.000 0.284 273 W C 2.409 178.904 176.519 -0.041 0.000 1.225 273 W CA 0.844 58.189 57.345 0.000 0.000 1.271 273 W CB -0.086 29.384 29.460 0.015 0.000 1.114 273 W HN 0.148 nan 8.180 nan 0.000 0.559 274 A N -0.355 122.563 122.820 0.162 0.000 1.898 274 A HA -0.147 4.155 4.320 -0.029 0.000 0.216 274 A C 1.871 179.327 177.584 -0.214 0.000 1.181 274 A CA 2.099 54.105 52.037 -0.052 0.000 0.620 274 A CB -1.176 17.741 19.000 -0.138 0.000 0.819 274 A HN 0.184 nan 8.150 nan 0.000 0.442 275 T N 0.368 114.820 114.554 -0.171 0.000 2.833 275 T HA -0.075 4.258 4.350 -0.029 0.000 0.269 275 T C 1.799 176.387 174.700 -0.187 0.000 1.054 275 T CA 1.089 63.077 62.100 -0.186 0.000 1.135 275 T CB -0.325 68.511 68.868 -0.052 0.000 0.869 275 T HN 0.346 nan 8.240 nan 0.000 0.466 276 L N 0.942 122.078 121.223 -0.145 0.000 2.042 276 L HA -0.176 4.146 4.340 -0.029 0.000 0.210 276 L C 2.708 179.509 176.870 -0.115 0.000 1.076 276 L CA 1.892 56.650 54.840 -0.136 0.000 0.749 276 L CB -0.341 41.661 42.059 -0.094 0.000 0.893 276 L HN 0.267 nan 8.230 nan 0.000 0.432 277 E N 0.133 120.273 120.200 -0.099 0.000 2.110 277 E HA -0.195 4.137 4.350 -0.029 0.000 0.193 277 E C 1.972 178.475 176.600 -0.162 0.000 0.988 277 E CA 1.535 57.879 56.400 -0.094 0.000 0.804 277 E CB -0.119 29.527 29.700 -0.089 0.000 0.745 277 E HN 0.476 nan 8.360 nan 0.000 0.458 278 A N 0.222 122.839 122.820 -0.338 0.000 1.972 278 A HA -0.094 4.208 4.320 -0.029 0.000 0.219 278 A C 2.204 179.519 177.584 -0.448 0.000 1.169 278 A CA 1.345 53.046 52.037 -0.560 0.000 0.635 278 A CB -0.497 17.947 19.000 -0.928 0.000 0.810 278 A HN 0.350 nan 8.150 nan 0.000 0.446 279 L N -0.697 120.356 121.223 -0.284 0.000 2.249 279 L HA -0.056 4.267 4.340 -0.029 0.000 0.207 279 L C 2.832 179.623 176.870 -0.132 0.000 1.090 279 L CA 1.538 56.265 54.840 -0.189 0.000 0.802 279 L CB -0.543 41.394 42.059 -0.204 0.000 0.947 279 L HN 0.603 nan 8.230 nan 0.000 0.453 280 T N -4.361 110.125 114.554 -0.114 0.000 3.009 280 T HA -0.121 4.211 4.350 -0.029 0.000 0.258 280 T C 1.087 175.748 174.700 -0.065 0.000 1.063 280 T CA 0.294 62.349 62.100 -0.075 0.000 1.139 280 T CB -0.463 68.375 68.868 -0.051 0.000 0.890 280 T HN 0.208 nan 8.240 nan 0.000 0.471 281 N N 1.358 120.017 118.700 -0.069 0.000 3.298 281 N HA 0.136 4.858 4.740 -0.029 0.000 0.292 281 N C 1.238 176.674 175.510 -0.124 0.000 1.271 281 N CA -0.310 52.691 53.050 -0.082 0.000 1.184 281 N CB 0.114 38.571 38.487 -0.051 0.000 1.452 281 N HN 0.417 nan 8.380 nan 0.000 0.534 282 Q N 0.242 119.986 119.800 -0.093 0.000 2.152 282 Q HA -0.267 4.055 4.340 -0.029 0.000 0.206 282 Q C 1.561 177.505 176.000 -0.093 0.000 0.985 282 Q CA 1.398 57.154 55.803 -0.078 0.000 0.863 282 Q CB 0.077 28.785 28.738 -0.049 0.000 0.904 282 Q HN 0.650 nan 8.270 nan 0.000 0.422 283 E N 0.387 120.522 120.200 -0.107 0.000 2.017 283 E HA -0.213 4.119 4.350 -0.029 0.000 0.193 283 E C 1.951 178.453 176.600 -0.163 0.000 0.997 283 E CA 1.078 57.411 56.400 -0.110 0.000 0.804 283 E CB -0.101 29.540 29.700 -0.098 0.000 0.757 283 E HN 0.353 nan 8.360 nan 0.000 0.448 284 A N 0.310 122.956 122.820 -0.291 0.000 1.930 284 A HA -0.128 4.174 4.320 -0.029 0.000 0.217 284 A C 2.344 179.670 177.584 -0.429 0.000 1.175 284 A CA 1.748 53.492 52.037 -0.488 0.000 0.627 284 A CB -0.424 18.007 19.000 -0.949 0.000 0.815 284 A HN 0.270 nan 8.150 nan 0.000 0.443 285 S N -0.960 114.551 115.700 -0.314 0.000 2.371 285 S HA -0.099 4.353 4.470 -0.029 0.000 0.224 285 S C 2.091 176.751 174.600 0.100 0.000 1.029 285 S CA 0.973 59.173 58.200 -0.000 0.000 0.978 285 S CB -0.317 62.840 63.200 -0.071 0.000 0.833 285 S HN 0.616 nan 8.310 nan 0.000 0.466 286 R N 1.286 121.784 120.500 -0.004 0.000 2.083 286 R HA -0.123 4.199 4.340 -0.029 0.000 0.237 286 R C 2.394 178.686 176.300 -0.013 0.000 1.137 286 R CA 1.477 57.568 56.100 -0.015 0.000 0.951 286 R CB -0.541 29.737 30.300 -0.036 0.000 0.851 286 R HN 0.400 nan 8.270 nan 0.000 0.434 287 A N 0.335 123.142 122.820 -0.021 0.000 1.908 287 A HA -0.213 4.089 4.320 -0.029 0.000 0.218 287 A C 1.968 179.544 177.584 -0.013 0.000 1.181 287 A CA 1.401 53.422 52.037 -0.027 0.000 0.627 287 A CB -0.746 18.232 19.000 -0.036 0.000 0.818 287 A HN 0.519 nan 8.150 nan 0.000 0.445 288 F N 0.569 120.477 119.950 -0.069 0.000 2.113 288 F HA -0.117 4.394 4.527 -0.027 0.000 0.297 288 F C 2.251 177.984 175.800 -0.112 0.000 1.103 288 F CA 1.839 59.795 58.000 -0.074 0.000 1.248 288 F CB -0.378 38.643 39.000 0.035 0.000 0.999 288 F HN 0.019 nan 8.300 nan 0.000 0.475 289 V N 0.928 120.823 119.914 -0.032 0.000 2.332 289 V HA -0.288 3.814 4.120 -0.029 0.000 0.248 289 V C 2.435 178.402 176.094 -0.211 0.000 1.055 289 V CA 2.223 64.441 62.300 -0.138 0.000 1.038 289 V CB -0.706 31.066 31.823 -0.086 0.000 0.651 289 V HN 0.330 nan 8.190 nan 0.000 0.450 290 E N -0.438 119.668 120.200 -0.156 0.000 2.077 290 E HA -0.250 4.082 4.350 -0.029 0.000 0.193 290 E C 2.093 178.574 176.600 -0.198 0.000 0.989 290 E CA 1.558 57.882 56.400 -0.126 0.000 0.800 290 E CB -0.497 29.155 29.700 -0.080 0.000 0.746 290 E HN 0.625 nan 8.360 nan 0.000 0.452 291 M N 0.754 120.174 119.600 -0.300 0.000 2.086 291 M HA -0.150 4.313 4.480 -0.029 0.000 0.261 291 M C 2.228 178.203 176.300 -0.542 0.000 1.067 291 M CA 2.012 57.090 55.300 -0.370 0.000 1.116 291 M CB -0.117 32.234 32.600 -0.415 0.000 1.348 291 M HN 0.081 nan 8.290 nan 0.000 0.407 292 A N 0.698 122.999 122.820 -0.865 0.000 1.877 292 A HA -0.220 4.083 4.320 -0.029 0.000 0.216 292 A C 2.255 179.445 177.584 -0.657 0.000 1.186 292 A CA 1.931 53.325 52.037 -1.073 0.000 0.620 292 A CB -0.914 17.389 19.000 -1.162 0.000 0.822 292 A HN 0.661 nan 8.150 nan 0.000 0.443 293 R N -0.224 120.134 120.500 -0.237 0.000 2.091 293 R HA -0.209 4.114 4.340 -0.029 0.000 0.238 293 R C 2.193 178.592 176.300 0.165 0.000 1.136 293 R CA 1.970 58.159 56.100 0.149 0.000 0.959 293 R CB -0.323 30.052 30.300 0.126 0.000 0.856 293 R HN 0.727 nan 8.270 nan 0.000 0.437 294 E N -0.427 119.771 120.200 -0.003 0.000 2.106 294 E HA -0.164 4.169 4.350 -0.029 0.000 0.192 294 E C 1.744 178.336 176.600 -0.012 0.000 0.984 294 E CA 1.019 57.422 56.400 0.005 0.000 0.806 294 E CB -0.049 29.630 29.700 -0.034 0.000 0.750 294 E HN 0.491 nan 8.360 nan 0.000 0.458 295 A N 0.288 123.063 122.820 -0.075 0.000 1.898 295 A HA -0.169 4.134 4.320 -0.029 0.000 0.216 295 A C 1.849 179.479 177.584 0.076 0.000 1.181 295 A CA 1.236 53.262 52.037 -0.017 0.000 0.620 295 A CB -0.778 18.243 19.000 0.035 0.000 0.819 295 A HN 0.344 nan 8.150 nan 0.000 0.442 296 Y N -0.230 120.173 120.300 0.172 0.000 2.181 296 Y HA -0.141 4.388 4.550 -0.034 0.000 0.288 296 Y C 2.495 178.339 175.900 -0.093 0.000 1.146 296 Y CA 1.118 59.340 58.100 0.203 0.000 1.164 296 Y CB -0.785 37.923 38.460 0.413 0.000 0.982 296 Y HN 0.336 nan 8.280 nan 0.000 0.515 297 R N 0.673 121.123 120.500 -0.083 0.000 2.083 297 R HA -0.192 4.131 4.340 -0.029 0.000 0.237 297 R C 2.307 178.473 176.300 -0.223 0.000 1.137 297 R CA 1.703 57.586 56.100 -0.361 0.000 0.951 297 R CB -0.136 30.084 30.300 -0.134 0.000 0.851 297 R HN 0.287 nan 8.270 nan 0.000 0.434 298 R N -0.087 120.354 120.500 -0.099 0.000 2.083 298 R HA -0.135 4.187 4.340 -0.029 0.000 0.237 298 R C 2.499 178.728 176.300 -0.118 0.000 1.137 298 R CA 1.964 58.014 56.100 -0.084 0.000 0.951 298 R CB -0.293 29.985 30.300 -0.036 0.000 0.851 298 R HN 0.287 nan 8.270 nan 0.000 0.434 299 R N 0.072 120.514 120.500 -0.095 0.000 2.081 299 R HA -0.109 4.214 4.340 -0.029 0.000 0.235 299 R C 2.436 178.500 176.300 -0.393 0.000 1.131 299 R CA 1.249 57.274 56.100 -0.125 0.000 0.960 299 R CB -0.315 30.030 30.300 0.076 0.000 0.856 299 R HN 0.195 nan 8.270 nan 0.000 0.436 300 R N 1.038 121.127 120.500 -0.685 0.000 2.070 300 R HA -0.160 4.163 4.340 -0.029 0.000 0.233 300 R C 1.246 177.282 176.300 -0.439 0.000 1.137 300 R CA 2.079 57.610 56.100 -0.948 0.000 0.945 300 R CB -0.180 29.591 30.300 -0.881 0.000 0.845 300 R HN 0.150 nan 8.270 nan 0.000 0.430 301 D N 1.021 121.244 120.400 -0.295 0.000 2.104 301 D HA -0.216 4.407 4.640 -0.029 0.000 0.194 301 D C 1.947 178.169 176.300 -0.130 0.000 0.994 301 D CA 1.095 54.995 54.000 -0.168 0.000 0.830 301 D CB -0.376 40.351 40.800 -0.122 0.000 0.959 301 D HN 0.270 nan 8.370 nan 0.000 0.452 302 L N 0.372 121.515 121.223 -0.134 0.000 1.989 302 L HA -0.161 4.161 4.340 -0.029 0.000 0.211 302 L C 2.405 179.223 176.870 -0.086 0.000 1.071 302 L CA 1.117 55.901 54.840 -0.093 0.000 0.749 302 L CB -0.214 41.795 42.059 -0.084 0.000 0.890 302 L HN 0.061 nan 8.230 nan 0.000 0.431 303 L N -0.482 120.668 121.223 -0.123 0.000 1.989 303 L HA -0.280 4.042 4.340 -0.029 0.000 0.211 303 L C 2.604 179.453 176.870 -0.034 0.000 1.071 303 L CA 1.728 56.522 54.840 -0.077 0.000 0.749 303 L CB -0.327 41.669 42.059 -0.107 0.000 0.890 303 L HN 0.377 nan 8.230 nan 0.000 0.431 304 L N -0.474 120.709 121.223 -0.067 0.000 2.042 304 L HA -0.275 4.047 4.340 -0.029 0.000 0.210 304 L C 2.489 179.356 176.870 -0.004 0.000 1.076 304 L CA 1.525 56.351 54.840 -0.023 0.000 0.749 304 L CB -0.565 41.469 42.059 -0.041 0.000 0.893 304 L HN 0.348 nan 8.230 nan 0.000 0.432 305 E N -0.045 120.143 120.200 -0.020 0.000 2.058 305 E HA -0.189 4.143 4.350 -0.029 0.000 0.194 305 E C 2.217 178.823 176.600 0.009 0.000 0.997 305 E CA 1.133 57.528 56.400 -0.008 0.000 0.801 305 E CB -0.364 29.325 29.700 -0.018 0.000 0.746 305 E HN 0.569 nan 8.360 nan 0.000 0.450 306 G N 1.282 110.088 108.800 0.011 0.000 2.440 306 G HA2 -0.242 3.701 3.960 -0.029 0.000 0.218 306 G HA3 -0.242 3.701 3.960 -0.029 0.000 0.218 306 G C 1.584 176.526 174.900 0.070 0.000 1.154 306 G CA 0.570 45.689 45.100 0.032 0.000 0.767 306 G HN 0.073 nan 8.290 nan 0.000 0.552 307 L N 0.299 121.573 121.223 0.086 0.000 2.017 307 L HA -0.091 4.231 4.340 -0.029 0.000 0.208 307 L C 3.197 180.106 176.870 0.065 0.000 1.073 307 L CA 1.620 56.524 54.840 0.107 0.000 0.745 307 L CB -1.000 41.125 42.059 0.110 0.000 0.894 307 L HN 0.169 nan 8.230 nan 0.000 0.432 308 T N 0.130 114.712 114.554 0.045 0.000 2.684 308 T HA -0.201 4.132 4.350 -0.029 0.000 0.267 308 T C 2.012 176.730 174.700 0.029 0.000 1.036 308 T CA 1.428 63.547 62.100 0.032 0.000 1.148 308 T CB -0.278 68.603 68.868 0.022 0.000 0.863 308 T HN 0.456 nan 8.240 nan 0.000 0.436 309 A N 1.028 123.866 122.820 0.030 0.000 1.978 309 A HA 0.017 4.320 4.320 -0.029 0.000 0.220 309 A C 2.139 179.742 177.584 0.032 0.000 1.170 309 A CA 1.197 53.250 52.037 0.027 0.000 0.636 309 A CB -0.711 18.304 19.000 0.025 0.000 0.810 309 A HN 0.522 nan 8.150 nan 0.000 0.448 310 L N -1.490 119.760 121.223 0.045 0.000 2.558 310 L HA 0.194 4.517 4.340 -0.029 0.000 0.225 310 L C 1.611 178.497 176.870 0.028 0.000 1.128 310 L CA 0.481 55.349 54.840 0.047 0.000 0.868 310 L CB -0.209 41.898 42.059 0.079 0.000 1.006 310 L HN 0.580 nan 8.230 nan 0.000 0.454 311 G N 0.889 109.703 108.800 0.024 0.000 2.147 311 G HA2 -0.273 3.669 3.960 -0.029 0.000 0.244 311 G HA3 -0.273 3.669 3.960 -0.029 0.000 0.244 311 G C 0.041 174.945 174.900 0.006 0.000 1.005 311 G CA -0.232 44.876 45.100 0.013 0.000 0.713 311 G HN 0.227 nan 8.290 nan 0.000 0.515 312 L N 0.429 121.659 121.223 0.012 0.000 2.265 312 L HA 0.419 4.742 4.340 -0.029 0.000 0.288 312 L C 0.803 177.686 176.870 0.021 0.000 1.058 312 L CA -0.710 54.129 54.840 -0.002 0.000 0.809 312 L CB 1.076 43.125 42.059 -0.017 0.000 1.179 312 L HN 0.053 nan 8.230 nan 0.000 0.429 313 K N 2.995 123.406 120.400 0.018 0.000 2.326 313 K HA 0.670 4.973 4.320 -0.029 0.000 0.275 313 K C -0.345 176.305 176.600 0.085 0.000 1.018 313 K CA -0.145 56.169 56.287 0.045 0.000 0.962 313 K CB 1.125 33.648 32.500 0.039 0.000 0.953 313 K HN 0.685 nan 8.250 nan 0.000 0.475 314 A N 1.768 124.650 122.820 0.105 0.000 2.530 314 A HA 0.285 4.587 4.320 -0.029 0.000 0.297 314 A C -1.126 176.541 177.584 0.139 0.000 1.059 314 A CA -0.852 51.273 52.037 0.147 0.000 0.782 314 A CB 0.851 19.928 19.000 0.129 0.000 1.301 314 A HN 0.365 nan 8.150 nan 0.000 0.394 315 V N 2.821 122.849 119.914 0.190 0.000 2.572 315 V HA 0.224 4.326 4.120 -0.029 0.000 0.291 315 V C 1.173 177.361 176.094 0.157 0.000 1.039 315 V CA -0.050 62.351 62.300 0.168 0.000 1.055 315 V CB 0.963 32.932 31.823 0.245 0.000 0.969 315 V HN 0.885 nan 8.190 nan 0.000 0.482 316 R N 7.517 128.086 120.500 0.116 0.000 2.404 316 R HA 0.169 4.491 4.340 -0.029 0.000 0.315 316 R C -2.162 174.217 176.300 0.131 0.000 1.032 316 R CA -0.974 55.187 56.100 0.102 0.000 0.992 316 R CB 0.473 30.817 30.300 0.073 0.000 0.959 316 R HN 0.559 nan 8.270 nan 0.000 0.428 317 P HA 0.127 nan 4.420 nan 0.000 0.282 317 P C -0.753 176.676 177.300 0.215 0.000 1.249 317 P CA -0.394 62.810 63.100 0.173 0.000 0.806 317 P CB 1.867 33.688 31.700 0.202 0.000 0.984 318 S N 0.062 115.879 115.700 0.195 0.000 2.540 318 S HA 0.380 4.832 4.470 -0.029 0.000 0.222 318 S C 0.740 175.415 174.600 0.125 0.000 1.008 318 S CA 0.044 58.373 58.200 0.214 0.000 0.939 318 S CB 0.433 63.712 63.200 0.130 0.000 0.865 318 S HN 0.817 nan 8.310 nan 0.000 0.499 319 G N -0.041 108.791 108.800 0.053 0.000 2.682 319 G HA2 0.709 4.651 3.960 -0.029 0.000 0.290 319 G HA3 0.709 4.651 3.960 -0.029 0.000 0.290 319 G C -0.418 174.356 174.900 -0.210 0.000 1.425 319 G CA 0.020 45.001 45.100 -0.199 0.000 0.807 319 G HN 0.698 nan 8.290 nan 0.000 0.482 320 A N -1.170 121.383 122.820 -0.445 0.000 6.226 320 A HA 0.203 4.505 4.320 -0.029 0.000 0.254 320 A C 0.168 177.300 177.584 -0.752 0.000 2.160 320 A CA 1.616 53.096 52.037 -0.929 0.000 0.705 320 A CB -1.473 16.751 19.000 -1.294 0.000 1.036 320 A HN 2.348 nan 8.150 nan 0.000 0.366 321 F N -3.288 115.999 119.950 -1.104 0.000 2.677 321 F HA 0.725 5.234 4.527 -0.029 0.000 0.388 321 F C -0.541 174.301 175.800 -1.597 0.000 1.400 321 F CA -0.969 56.104 58.000 -1.544 0.000 1.162 321 F CB -0.529 37.571 39.000 -1.501 0.000 1.135 321 F HN 0.502 nan 8.300 nan 0.000 0.516 322 Y N -0.451 119.580 120.300 -0.448 0.000 2.570 322 Y HA 0.812 5.344 4.550 -0.029 0.000 0.345 322 Y C -0.476 175.430 175.900 0.010 0.000 1.014 322 Y CA -2.272 55.704 58.100 -0.206 0.000 1.063 322 Y CB 2.345 40.630 38.460 -0.292 0.000 1.272 322 Y HN -0.094 nan 8.280 nan 0.000 0.477 323 V N 3.150 123.199 119.914 0.225 0.000 2.655 323 V HA 0.290 4.393 4.120 -0.029 0.000 0.301 323 V C -0.865 175.285 176.094 0.094 0.000 1.082 323 V CA -0.919 61.491 62.300 0.183 0.000 0.899 323 V CB 2.096 34.065 31.823 0.243 0.000 1.014 323 V HN 0.597 nan 8.190 nan 0.000 0.429 324 L N 5.199 126.445 121.223 0.039 0.000 2.261 324 L HA 0.536 4.859 4.340 -0.029 0.000 0.289 324 L C -0.040 176.937 176.870 0.178 0.000 1.059 324 L CA 0.045 54.898 54.840 0.023 0.000 0.816 324 L CB 1.167 43.134 42.059 -0.154 0.000 1.191 324 L HN 0.668 nan 8.230 nan 0.000 0.431 325 M N 3.865 123.567 119.600 0.170 0.000 2.238 325 M HA 0.224 4.686 4.480 -0.029 0.000 0.350 325 M C -0.452 175.915 176.300 0.111 0.000 1.138 325 M CA -0.598 54.789 55.300 0.145 0.000 1.040 325 M CB 1.363 34.002 32.600 0.067 0.000 1.639 325 M HN 0.371 nan 8.290 nan 0.000 0.451 326 D N 3.067 123.494 120.400 0.045 0.000 2.358 326 D HA 0.050 4.673 4.640 -0.029 0.000 0.258 326 D C 0.603 176.802 176.300 -0.169 0.000 1.223 326 D CA 0.204 54.075 54.000 -0.216 0.000 0.886 326 D CB 1.114 41.836 40.800 -0.130 0.000 1.120 326 D HN 0.737 nan 8.370 nan 0.000 0.482 327 T N -0.022 114.414 114.554 -0.198 0.000 3.188 327 T HA 0.049 4.381 4.350 -0.029 0.000 0.250 327 T C 1.702 176.336 174.700 -0.109 0.000 1.077 327 T CA -0.245 61.774 62.100 -0.135 0.000 0.967 327 T CB 0.045 68.854 68.868 -0.098 0.000 1.006 327 T HN 0.151 nan 8.240 nan 0.000 0.552 328 S N 3.301 118.933 115.700 -0.114 0.000 2.368 328 S HA -0.074 4.379 4.470 -0.029 0.000 0.226 328 S C -0.053 174.512 174.600 -0.059 0.000 1.044 328 S CA 1.674 59.828 58.200 -0.076 0.000 1.062 328 S CB -1.156 62.003 63.200 -0.068 0.000 0.931 328 S HN 0.618 nan 8.310 nan 0.000 0.440 329 P HA 0.056 nan 4.420 nan 0.000 0.230 329 P C 1.005 178.272 177.300 -0.054 0.000 1.158 329 P CA 0.761 63.831 63.100 -0.051 0.000 0.769 329 P CB -0.094 31.576 31.700 -0.050 0.000 0.807 330 I N -0.700 119.828 120.570 -0.071 0.000 2.429 330 I HA 0.193 4.346 4.170 -0.029 0.000 0.247 330 I C 1.375 177.467 176.117 -0.043 0.000 1.099 330 I CA 0.462 61.721 61.300 -0.068 0.000 1.422 330 I CB -1.187 36.753 38.000 -0.100 0.000 1.112 330 I HN -0.095 nan 8.210 nan 0.000 0.430 331 A N 0.776 123.572 122.820 -0.040 0.000 2.601 331 A HA 0.554 4.857 4.320 -0.029 0.000 0.291 331 A C -2.144 175.427 177.584 -0.022 0.000 1.075 331 A CA -0.553 51.470 52.037 -0.024 0.000 0.671 331 A CB 0.412 19.403 19.000 -0.015 0.000 1.277 331 A HN -0.059 nan 8.150 nan 0.000 0.417 332 P HA -0.013 nan 4.420 nan 0.000 0.225 332 P C -0.178 177.120 177.300 -0.002 0.000 1.148 332 P CA 1.878 64.972 63.100 -0.010 0.000 0.779 332 P CB -0.229 31.466 31.700 -0.007 0.000 0.780 333 D N -3.097 117.307 120.400 0.007 0.000 2.609 333 D HA 0.138 4.760 4.640 -0.029 0.000 0.239 333 D C 0.476 176.799 176.300 0.037 0.000 1.229 333 D CA -0.799 53.220 54.000 0.032 0.000 0.808 333 D CB 0.693 41.518 40.800 0.041 0.000 1.448 333 D HN -0.376 nan 8.370 nan 0.000 0.433 334 E N 0.285 120.527 120.200 0.070 0.000 2.097 334 E HA -0.192 4.140 4.350 -0.029 0.000 0.196 334 E C 1.903 178.538 176.600 0.058 0.000 1.000 334 E CA 1.549 57.989 56.400 0.066 0.000 0.804 334 E CB -0.607 29.156 29.700 0.105 0.000 0.740 334 E HN 0.366 nan 8.360 nan 0.000 0.454 335 V N 1.257 121.212 119.914 0.067 0.000 2.261 335 V HA -0.258 3.844 4.120 -0.029 0.000 0.246 335 V C 2.276 178.393 176.094 0.037 0.000 1.047 335 V CA 1.990 64.323 62.300 0.054 0.000 1.015 335 V CB -0.488 31.368 31.823 0.055 0.000 0.642 335 V HN 0.203 nan 8.190 nan 0.000 0.446 336 R N 0.517 121.035 120.500 0.029 0.000 2.081 336 R HA -0.061 4.261 4.340 -0.029 0.000 0.235 336 R C 2.406 178.714 176.300 0.012 0.000 1.131 336 R CA 1.610 57.721 56.100 0.018 0.000 0.960 336 R CB -1.311 28.996 30.300 0.011 0.000 0.856 336 R HN 0.543 nan 8.270 nan 0.000 0.436 337 A N 1.410 124.234 122.820 0.007 0.000 1.902 337 A HA -0.063 4.240 4.320 -0.029 0.000 0.217 337 A C 2.428 180.014 177.584 0.003 0.000 1.181 337 A CA 1.861 53.892 52.037 -0.010 0.000 0.623 337 A CB -0.585 18.399 19.000 -0.027 0.000 0.818 337 A HN 0.350 nan 8.150 nan 0.000 0.443 338 A N -0.242 122.592 122.820 0.023 0.000 1.933 338 A HA -0.167 4.135 4.320 -0.029 0.000 0.218 338 A C 1.921 179.531 177.584 0.043 0.000 1.175 338 A CA 1.655 53.717 52.037 0.041 0.000 0.628 338 A CB -0.495 18.537 19.000 0.053 0.000 0.814 338 A HN 0.648 nan 8.150 nan 0.000 0.444 339 E N -0.568 119.652 120.200 0.034 0.000 2.072 339 E HA -0.159 4.174 4.350 -0.029 0.000 0.191 339 E C 2.364 178.983 176.600 0.032 0.000 0.985 339 E CA 0.904 57.324 56.400 0.032 0.000 0.801 339 E CB -0.172 29.543 29.700 0.026 0.000 0.750 339 E HN 0.499 nan 8.360 nan 0.000 0.452 340 R N 0.518 121.032 120.500 0.024 0.000 2.083 340 R HA -0.119 4.203 4.340 -0.029 0.000 0.237 340 R C 2.492 178.816 176.300 0.041 0.000 1.137 340 R CA 1.073 57.188 56.100 0.024 0.000 0.951 340 R CB -0.386 29.919 30.300 0.008 0.000 0.851 340 R HN 0.198 nan 8.270 nan 0.000 0.434 341 L N 0.636 121.888 121.223 0.049 0.000 2.131 341 L HA -0.165 4.157 4.340 -0.029 0.000 0.210 341 L C 2.508 179.439 176.870 0.101 0.000 1.092 341 L CA 0.827 55.725 54.840 0.098 0.000 0.759 341 L CB -0.352 41.778 42.059 0.118 0.000 0.903 341 L HN 0.258 nan 8.230 nan 0.000 0.435 342 L N -0.316 120.952 121.223 0.074 0.000 2.056 342 L HA -0.177 4.145 4.340 -0.029 0.000 0.207 342 L C 2.755 179.656 176.870 0.052 0.000 1.078 342 L CA 1.203 56.081 54.840 0.063 0.000 0.749 342 L CB -0.231 41.858 42.059 0.050 0.000 0.901 342 L HN 0.317 nan 8.230 nan 0.000 0.433 343 E N 0.136 120.364 120.200 0.046 0.000 2.118 343 E HA -0.216 4.116 4.350 -0.029 0.000 0.195 343 E C 1.956 178.581 176.600 0.043 0.000 0.992 343 E CA 1.321 57.744 56.400 0.038 0.000 0.804 343 E CB -0.226 29.494 29.700 0.032 0.000 0.741 343 E HN 0.522 nan 8.360 nan 0.000 0.458 344 A N 0.110 122.965 122.820 0.058 0.000 2.235 344 A HA 0.266 4.568 4.320 -0.029 0.000 0.208 344 A C 1.569 179.190 177.584 0.062 0.000 1.172 344 A CA 1.015 53.092 52.037 0.066 0.000 0.786 344 A CB -0.214 18.845 19.000 0.097 0.000 0.804 344 A HN 0.283 nan 8.150 nan 0.000 0.479 345 G N -1.740 107.094 108.800 0.056 0.000 2.142 345 G HA2 -0.099 3.843 3.960 -0.029 0.000 0.225 345 G HA3 -0.099 3.843 3.960 -0.029 0.000 0.225 345 G C -0.179 174.749 174.900 0.046 0.000 1.015 345 G CA 0.030 45.155 45.100 0.042 0.000 0.716 345 G HN 0.977 nan 8.290 nan 0.000 0.508 346 V N 0.082 120.044 119.914 0.080 0.000 2.525 346 V HA 0.800 4.903 4.120 -0.029 0.000 0.299 346 V C 0.436 176.598 176.094 0.113 0.000 1.034 346 V CA -0.484 61.874 62.300 0.097 0.000 0.863 346 V CB 1.675 33.605 31.823 0.179 0.000 0.999 346 V HN 1.265 nan 8.190 nan 0.000 0.423 347 A N 5.152 128.025 122.820 0.088 0.000 2.276 347 A HA 0.845 5.147 4.320 -0.029 0.000 0.300 347 A C -0.468 177.184 177.584 0.112 0.000 1.235 347 A CA -0.287 51.803 52.037 0.088 0.000 0.867 347 A CB 0.753 19.792 19.000 0.065 0.000 1.137 347 A HN 0.732 nan 8.150 nan 0.000 0.527 348 V N 2.342 122.328 119.914 0.120 0.000 3.102 348 V HA 0.439 4.541 4.120 -0.029 0.000 0.312 348 V C -0.345 175.820 176.094 0.117 0.000 1.135 348 V CA -0.700 61.680 62.300 0.134 0.000 1.022 348 V CB 2.181 34.096 31.823 0.153 0.000 1.056 348 V HN 0.584 nan 8.190 nan 0.000 0.436 349 V N 4.292 124.283 119.914 0.128 0.000 2.350 349 V HA 0.335 4.438 4.120 -0.029 0.000 0.276 349 V C -2.171 174.013 176.094 0.150 0.000 1.028 349 V CA -1.670 60.720 62.300 0.149 0.000 0.860 349 V CB 1.449 33.398 31.823 0.210 0.000 0.990 349 V HN 0.752 nan 8.190 nan 0.000 0.453 350 P HA 0.082 nan 4.420 nan 0.000 0.268 350 P C 0.915 178.316 177.300 0.168 0.000 1.204 350 P CA 0.125 63.295 63.100 0.116 0.000 0.768 350 P CB 1.140 32.892 31.700 0.087 0.000 0.842 351 G N 2.546 111.430 108.800 0.141 0.000 2.882 351 G HA2 -0.112 3.831 3.960 -0.029 0.000 0.206 351 G HA3 -0.112 3.831 3.960 -0.029 0.000 0.206 351 G C 1.149 176.046 174.900 -0.006 0.000 1.155 351 G CA 0.273 45.467 45.100 0.156 0.000 0.800 351 G HN 0.428 nan 8.290 nan 0.000 0.524 352 T N 1.214 115.757 114.554 -0.018 0.000 2.607 352 T HA -0.162 4.170 4.350 -0.029 0.000 0.267 352 T C 1.781 176.355 174.700 -0.209 0.000 1.049 352 T CA 1.525 63.566 62.100 -0.097 0.000 1.162 352 T CB -0.220 68.705 68.868 0.095 0.000 0.863 352 T HN 0.204 nan 8.240 nan 0.000 0.424 353 D N 0.389 120.680 120.400 -0.183 0.000 2.350 353 D HA 0.020 4.642 4.640 -0.029 0.000 0.216 353 D C 1.215 177.291 176.300 -0.373 0.000 0.968 353 D CA 0.562 54.396 54.000 -0.278 0.000 0.894 353 D CB -0.285 40.291 40.800 -0.374 0.000 0.909 353 D HN 0.419 nan 8.370 nan 0.000 0.520 354 F N -0.032 119.753 119.950 -0.274 0.000 2.765 354 F HA 0.336 4.847 4.527 -0.028 0.000 0.302 354 F C 1.552 176.875 175.800 -0.796 0.000 1.111 354 F CA 0.216 57.977 58.000 -0.398 0.000 1.359 354 F CB 0.075 38.881 39.000 -0.323 0.000 1.097 354 F HN -0.120 nan 8.300 nan 0.000 0.577 355 A N 0.373 122.814 122.820 -0.631 0.000 2.969 355 A HA -0.087 4.215 4.320 -0.029 0.000 0.252 355 A C 0.845 177.960 177.584 -0.782 0.000 1.377 355 A CA 0.603 52.121 52.037 -0.865 0.000 0.859 355 A CB -2.086 16.503 19.000 -0.685 0.000 1.077 355 A HN 0.630 nan 8.150 nan 0.000 0.671 356 A N -0.025 122.421 122.820 -0.622 0.000 3.173 356 A HA 0.642 4.945 4.320 -0.029 0.000 0.304 356 A C -0.024 177.464 177.584 -0.160 0.000 1.318 356 A CA -0.454 51.393 52.037 -0.316 0.000 1.069 356 A CB -0.573 18.269 19.000 -0.264 0.000 1.147 356 A HN 0.819 nan 8.150 nan 0.000 0.547 357 F N 0.326 120.359 119.950 0.139 0.000 2.506 357 F HA 0.416 4.925 4.527 -0.029 0.000 0.351 357 F C 1.654 177.581 175.800 0.212 0.000 1.136 357 F CA 1.195 59.279 58.000 0.140 0.000 1.298 357 F CB 0.533 39.586 39.000 0.088 0.000 1.145 357 F HN 0.647 nan 8.300 nan 0.000 0.593 358 G N 0.930 109.891 108.800 0.269 0.000 2.162 358 G HA2 -0.282 3.661 3.960 -0.029 0.000 0.260 358 G HA3 -0.282 3.661 3.960 -0.029 0.000 0.260 358 G C -0.319 174.449 174.900 -0.220 0.000 0.976 358 G CA 0.123 45.242 45.100 0.032 0.000 0.655 358 G HN 0.857 nan 8.290 nan 0.000 0.533 359 H N -2.025 117.082 119.070 0.063 0.000 2.865 359 H HA 0.758 5.296 4.556 -0.031 0.000 0.372 359 H C -0.680 174.652 175.328 0.007 0.000 1.173 359 H CA -0.509 55.555 56.048 0.028 0.000 1.147 359 H CB 2.479 32.253 29.762 0.019 0.000 1.805 359 H HN 0.302 nan 8.280 nan 0.000 0.553 360 V N 1.849 121.834 119.914 0.118 0.000 2.656 360 V HA 0.400 4.503 4.120 -0.029 0.000 0.307 360 V C -0.720 175.404 176.094 0.049 0.000 1.051 360 V CA -0.794 61.549 62.300 0.071 0.000 0.893 360 V CB 1.841 33.691 31.823 0.045 0.000 0.999 360 V HN 0.652 nan 8.190 nan 0.000 0.426 361 R N 5.871 126.376 120.500 0.009 0.000 2.221 361 R HA 0.518 4.840 4.340 -0.029 0.000 0.327 361 R C -1.479 174.862 176.300 0.069 0.000 1.033 361 R CA -0.379 55.690 56.100 -0.051 0.000 0.887 361 R CB 0.754 30.881 30.300 -0.288 0.000 1.057 361 R HN 0.682 nan 8.270 nan 0.000 0.455 362 L N 2.343 123.641 121.223 0.125 0.000 2.317 362 L HA 0.348 4.671 4.340 -0.029 0.000 0.281 362 L C 0.310 177.319 176.870 0.232 0.000 1.024 362 L CA -0.614 54.343 54.840 0.195 0.000 0.810 362 L CB 1.877 44.078 42.059 0.236 0.000 1.240 362 L HN 0.532 nan 8.230 nan 0.000 0.427 363 S N 1.601 117.423 115.700 0.204 0.000 2.478 363 S HA 0.410 4.863 4.470 -0.029 0.000 0.312 363 S C -0.310 174.319 174.600 0.048 0.000 1.094 363 S CA -0.622 57.653 58.200 0.125 0.000 1.081 363 S CB 0.599 63.904 63.200 0.174 0.000 1.007 363 S HN 0.484 nan 8.310 nan 0.000 0.475 364 Y N 2.760 123.053 120.300 -0.012 0.000 2.811 364 Y HA 0.677 5.213 4.550 -0.024 0.000 0.330 364 Y C 0.614 176.449 175.900 -0.108 0.000 1.081 364 Y CA -0.807 57.267 58.100 -0.043 0.000 1.408 364 Y CB -0.476 37.977 38.460 -0.012 0.000 1.235 364 Y HN 0.641 nan 8.280 nan 0.000 0.529 365 A N 1.075 123.726 122.820 -0.283 0.000 3.163 365 A HA 0.516 4.818 4.320 -0.029 0.000 0.283 365 A C 0.387 177.860 177.584 -0.185 0.000 1.412 365 A CA 0.249 52.060 52.037 -0.378 0.000 1.053 365 A CB -1.079 17.349 19.000 -0.953 0.000 1.082 365 A HN 0.506 nan 8.150 nan 0.000 0.639 366 T N -2.802 111.708 114.554 -0.074 0.000 2.778 366 T HA 0.618 4.950 4.350 -0.029 0.000 0.293 366 T C 0.162 174.828 174.700 -0.056 0.000 1.144 366 T CA -0.083 61.970 62.100 -0.078 0.000 1.010 366 T CB 0.793 69.631 68.868 -0.051 0.000 1.325 366 T HN 0.612 nan 8.240 nan 0.000 0.515 367 S N -0.184 115.474 115.700 -0.070 0.000 2.579 367 S HA 0.184 4.637 4.470 -0.029 0.000 0.275 367 S C 0.924 175.503 174.600 -0.035 0.000 1.345 367 S CA -0.558 57.606 58.200 -0.059 0.000 1.031 367 S CB 0.322 63.485 63.200 -0.061 0.000 0.892 367 S HN 0.771 nan 8.310 nan 0.000 0.529 368 E N 0.735 120.917 120.200 -0.029 0.000 2.153 368 E HA -0.209 4.124 4.350 -0.029 0.000 0.194 368 E C 1.890 178.467 176.600 -0.037 0.000 0.988 368 E CA 1.210 57.593 56.400 -0.029 0.000 0.811 368 E CB -0.100 29.584 29.700 -0.026 0.000 0.746 368 E HN 0.910 nan 8.360 nan 0.000 0.466 369 E N 1.104 121.282 120.200 -0.037 0.000 2.051 369 E HA -0.218 4.115 4.350 -0.029 0.000 0.192 369 E C 1.788 178.359 176.600 -0.048 0.000 0.991 369 E CA 1.083 57.460 56.400 -0.039 0.000 0.799 369 E CB 0.094 29.773 29.700 -0.034 0.000 0.748 369 E HN 0.135 nan 8.360 nan 0.000 0.449 370 N N 0.556 119.227 118.700 -0.048 0.000 2.223 370 N HA -0.134 4.588 4.740 -0.029 0.000 0.185 370 N C 1.989 177.453 175.510 -0.076 0.000 1.016 370 N CA 0.797 53.814 53.050 -0.056 0.000 0.863 370 N CB -0.202 38.257 38.487 -0.047 0.000 0.983 370 N HN 0.268 nan 8.380 nan 0.000 0.429 371 L N 0.620 121.803 121.223 -0.067 0.000 2.093 371 L HA -0.056 4.267 4.340 -0.029 0.000 0.208 371 L C 2.392 179.193 176.870 -0.115 0.000 1.085 371 L CA 0.891 55.680 54.840 -0.085 0.000 0.755 371 L CB -0.190 41.840 42.059 -0.049 0.000 0.904 371 L HN 0.106 nan 8.230 nan 0.000 0.435 372 R N 0.154 120.602 120.500 -0.086 0.000 2.075 372 R HA -0.125 4.198 4.340 -0.029 0.000 0.232 372 R C 2.308 178.548 176.300 -0.099 0.000 1.126 372 R CA 1.088 57.139 56.100 -0.080 0.000 0.963 372 R CB -0.204 30.064 30.300 -0.054 0.000 0.858 372 R HN 0.298 nan 8.270 nan 0.000 0.435 373 K N 0.468 120.811 120.400 -0.095 0.000 2.097 373 K HA -0.092 4.210 4.320 -0.029 0.000 0.206 373 K C 2.170 178.679 176.600 -0.152 0.000 1.049 373 K CA 1.351 57.582 56.287 -0.094 0.000 0.933 373 K CB -0.127 32.331 32.500 -0.070 0.000 0.717 373 K HN 0.151 nan 8.250 nan 0.000 0.442 374 A N 1.473 124.153 122.820 -0.234 0.000 1.898 374 A HA -0.117 4.186 4.320 -0.029 0.000 0.216 374 A C 2.129 179.298 177.584 -0.691 0.000 1.181 374 A CA 1.141 52.906 52.037 -0.452 0.000 0.620 374 A CB -0.582 18.119 19.000 -0.497 0.000 0.819 374 A HN 0.149 nan 8.150 nan 0.000 0.442 375 L N -0.647 120.297 121.223 -0.464 0.000 2.083 375 L HA -0.215 4.107 4.340 -0.029 0.000 0.209 375 L C 2.669 179.483 176.870 -0.094 0.000 1.083 375 L CA 1.805 56.480 54.840 -0.276 0.000 0.752 375 L CB -0.475 41.514 42.059 -0.117 0.000 0.899 375 L HN 0.640 nan 8.230 nan 0.000 0.433 376 E N 0.211 120.356 120.200 -0.092 0.000 2.058 376 E HA -0.241 4.091 4.350 -0.029 0.000 0.194 376 E C 2.365 178.970 176.600 0.009 0.000 0.997 376 E CA 1.061 57.445 56.400 -0.028 0.000 0.801 376 E CB 0.151 29.829 29.700 -0.037 0.000 0.746 376 E HN 0.319 nan 8.360 nan 0.000 0.450 377 R N -0.058 120.432 120.500 -0.017 0.000 2.073 377 R HA -0.122 4.200 4.340 -0.029 0.000 0.234 377 R C 2.326 178.749 176.300 0.206 0.000 1.134 377 R CA 0.926 57.062 56.100 0.061 0.000 0.952 377 R CB -1.007 29.315 30.300 0.036 0.000 0.850 377 R HN 0.292 nan 8.270 nan 0.000 0.433 378 F N 1.333 121.291 119.950 0.013 0.000 2.120 378 F HA -0.155 4.368 4.527 -0.007 0.000 0.300 378 F C 2.593 178.400 175.800 0.011 0.000 1.095 378 F CA 0.772 58.780 58.000 0.014 0.000 1.249 378 F CB -1.281 37.728 39.000 0.016 0.000 0.995 378 F HN 0.079 nan 8.300 nan 0.000 0.480 379 A N 0.176 123.123 122.820 0.211 0.000 1.902 379 A HA -0.199 4.103 4.320 -0.029 0.000 0.217 379 A C 2.346 179.980 177.584 0.082 0.000 1.181 379 A CA 1.454 53.559 52.037 0.114 0.000 0.623 379 A CB -0.693 18.354 19.000 0.078 0.000 0.818 379 A HN 0.332 nan 8.150 nan 0.000 0.443 380 R N -0.585 119.963 120.500 0.081 0.000 2.193 380 R HA -0.059 4.263 4.340 -0.029 0.000 0.229 380 R C 1.616 177.950 176.300 0.056 0.000 1.110 380 R CA 1.275 57.410 56.100 0.058 0.000 0.988 380 R CB -0.394 29.938 30.300 0.053 0.000 0.871 380 R HN 0.411 nan 8.270 nan 0.000 0.458 381 V N 0.991 120.949 119.914 0.073 0.000 3.129 381 V HA 0.011 4.114 4.120 -0.029 0.000 0.259 381 V C 1.112 177.220 176.094 0.024 0.000 1.116 381 V CA 0.982 63.311 62.300 0.049 0.000 1.127 381 V CB -0.333 31.521 31.823 0.053 0.000 0.742 381 V HN 0.125 nan 8.190 nan 0.000 0.474 382 L N 0.000 121.241 121.223 0.030 0.000 2.949 382 L HA 0.000 4.322 4.340 -0.029 0.000 0.249 382 L CA 0.000 54.850 54.840 0.016 0.000 0.813 382 L CB 0.000 42.067 42.059 0.014 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502