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 1zn9_1_A DATA FIRST_RESID 2 DATA SEQUENCE ADSELQLVEQ RIRSFPDFPT PGVVFRDISP VLKDPASFRA AIGLLARHLK DATA SEQUENCE ATHGGRIDYI AGLDSRGFLF GPSLAQELGL GCVLIRKRGK LPGPTLWASY DATA SEQUENCE SLEYGKAELE IQKDALEPGQ RVVVVDDLLA TGGTMNAACE LLGRLQAEVL DATA SEQUENCE ECVSLVELTS LKGREKLAPV PFFSLLQYE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.594 177.584 0.016 0.000 1.274 2 A CA 0.000 52.048 52.037 0.018 0.000 0.836 2 A CB 0.000 19.011 19.000 0.019 0.000 0.831 3 D N -1.371 119.039 120.400 0.017 0.000 2.738 3 D HA 0.075 4.716 4.640 0.000 0.000 0.058 3 D C 0.497 176.806 176.300 0.016 0.000 1.520 3 D CA 1.553 55.561 54.000 0.015 0.000 0.725 3 D CB -0.932 39.875 40.800 0.011 0.000 3.155 3 D HN 0.986 nan 8.370 nan 0.000 0.211 4 S N 0.278 115.987 115.700 0.014 0.000 2.576 4 S HA 0.186 4.656 4.470 0.000 0.000 0.272 4 S C 1.048 175.659 174.600 0.017 0.000 1.352 4 S CA 0.346 58.554 58.200 0.013 0.000 1.021 4 S CB 0.998 64.204 63.200 0.010 0.000 0.887 4 S HN 0.363 nan 8.310 nan 0.000 0.542 5 E N 0.692 120.902 120.200 0.017 0.000 2.072 5 E HA -0.084 4.266 4.350 0.000 0.000 0.191 5 E C 1.876 178.489 176.600 0.022 0.000 0.985 5 E CA 0.881 57.293 56.400 0.020 0.000 0.801 5 E CB -0.255 29.454 29.700 0.016 0.000 0.750 5 E HN 0.650 nan 8.360 nan 0.000 0.452 6 L N 1.347 122.580 121.223 0.016 0.000 2.046 6 L HA -0.247 4.094 4.340 0.000 0.000 0.208 6 L C 2.899 179.779 176.870 0.015 0.000 1.077 6 L CA 1.538 56.385 54.840 0.012 0.000 0.747 6 L CB -0.287 41.773 42.059 0.003 0.000 0.896 6 L HN 0.225 nan 8.230 nan 0.000 0.432 7 Q N -0.693 119.117 119.800 0.017 0.000 2.230 7 Q HA -0.233 4.107 4.340 0.000 0.000 0.202 7 Q C 2.173 178.192 176.000 0.031 0.000 0.963 7 Q CA 1.080 56.896 55.803 0.022 0.000 0.866 7 Q CB -0.242 28.506 28.738 0.017 0.000 0.931 7 Q HN 0.368 nan 8.270 nan 0.000 0.452 8 L N 0.774 122.016 121.223 0.033 0.000 2.046 8 L HA -0.136 4.205 4.340 0.000 0.000 0.208 8 L C 2.272 179.176 176.870 0.056 0.000 1.077 8 L CA 1.262 56.128 54.840 0.043 0.000 0.747 8 L CB -0.414 41.670 42.059 0.043 0.000 0.896 8 L HN 0.142 nan 8.230 nan 0.000 0.432 9 V N -0.382 119.565 119.914 0.055 0.000 2.323 9 V HA -0.272 3.849 4.120 0.000 0.000 0.244 9 V C 2.483 178.620 176.094 0.072 0.000 1.041 9 V CA 1.784 64.126 62.300 0.070 0.000 1.025 9 V CB -0.706 31.149 31.823 0.053 0.000 0.656 9 V HN 0.637 nan 8.190 nan 0.000 0.451 10 E N 1.280 121.516 120.200 0.059 0.000 2.085 10 E HA -0.330 4.020 4.350 0.000 0.000 0.194 10 E C 2.191 178.837 176.600 0.077 0.000 0.994 10 E CA 1.825 58.272 56.400 0.078 0.000 0.801 10 E CB -0.308 29.425 29.700 0.055 0.000 0.743 10 E HN 0.823 nan 8.360 nan 0.000 0.453 11 Q N -0.585 119.248 119.800 0.055 0.000 2.437 11 Q HA -0.079 4.262 4.340 0.000 0.000 0.210 11 Q C 1.360 177.385 176.000 0.041 0.000 0.972 11 Q CA 0.584 56.411 55.803 0.040 0.000 0.903 11 Q CB 0.109 28.865 28.738 0.030 0.000 0.967 11 Q HN 0.129 nan 8.270 nan 0.000 0.486 12 R N 0.504 121.041 120.500 0.060 0.000 2.393 12 R HA 0.289 4.629 4.340 0.000 0.000 0.244 12 R C -0.104 176.244 176.300 0.081 0.000 0.920 12 R CA -0.132 56.011 56.100 0.071 0.000 1.076 12 R CB 0.681 31.038 30.300 0.094 0.000 1.119 12 R HN 0.230 nan 8.270 nan 0.000 0.524 13 I N 2.097 122.709 120.570 0.070 0.000 2.301 13 I HA 0.221 4.392 4.170 0.000 0.000 0.292 13 I C 0.567 176.676 176.117 -0.012 0.000 1.046 13 I CA -0.532 60.799 61.300 0.053 0.000 1.282 13 I CB 0.802 38.848 38.000 0.077 0.000 1.409 13 I HN -0.203 nan 8.210 nan 0.000 0.484 14 R N 4.163 124.669 120.500 0.010 0.000 2.312 14 R HA 0.334 4.675 4.340 0.000 0.000 0.311 14 R C -0.071 176.169 176.300 -0.101 0.000 1.004 14 R CA -0.205 55.858 56.100 -0.060 0.000 0.902 14 R CB 1.091 31.398 30.300 0.013 0.000 1.073 14 R HN 0.681 nan 8.270 nan 0.000 0.457 15 S N 4.054 119.608 115.700 -0.244 0.000 2.499 15 S HA 0.399 4.869 4.470 0.000 0.000 0.279 15 S C -1.084 173.325 174.600 -0.319 0.000 1.219 15 S CA -0.470 57.614 58.200 -0.194 0.000 1.062 15 S CB 0.351 63.433 63.200 -0.197 0.000 0.978 15 S HN 0.489 nan 8.310 nan 0.000 0.489 16 F N 5.320 125.326 119.950 0.093 0.000 2.532 16 F HA 0.398 4.925 4.527 0.001 0.000 0.365 16 F C -2.321 173.573 175.800 0.156 0.000 1.112 16 F CA -1.939 56.131 58.000 0.116 0.000 1.082 16 F CB 1.792 40.862 39.000 0.117 0.000 1.319 16 F HN 0.399 nan 8.300 nan 0.000 0.457 17 P HA 0.138 nan 4.420 nan 0.000 0.268 17 P C -0.399 177.026 177.300 0.208 0.000 1.204 17 P CA 0.499 63.702 63.100 0.172 0.000 0.768 17 P CB 0.510 32.264 31.700 0.089 0.000 0.842 18 D N -0.198 120.311 120.400 0.183 0.000 3.017 18 D HA -0.209 4.431 4.640 0.000 0.000 0.220 18 D C -0.729 175.688 176.300 0.194 0.000 1.141 18 D CA 1.091 55.181 54.000 0.149 0.000 0.848 18 D CB -1.897 38.970 40.800 0.111 0.000 1.102 18 D HN 0.302 nan 8.370 nan 0.000 0.427 19 F N -0.108 119.884 119.950 0.071 0.000 2.529 19 F HA 0.539 5.066 4.527 0.001 0.000 0.320 19 F C -2.035 173.757 175.800 -0.012 0.000 1.118 19 F CA -2.104 55.881 58.000 -0.025 0.000 0.915 19 F CB 1.945 40.868 39.000 -0.129 0.000 1.161 19 F HN -0.321 nan 8.300 nan 0.000 0.445 20 P HA 0.075 nan 4.420 nan 0.000 0.240 20 P C -0.374 176.689 177.300 -0.394 0.000 1.190 20 P CA 0.628 63.055 63.100 -1.121 0.000 0.781 20 P CB 0.179 31.201 31.700 -1.129 0.000 0.931 21 T N -4.088 110.364 114.554 -0.171 0.000 2.906 21 T HA 0.567 4.917 4.350 0.000 0.000 0.295 21 T C -3.261 171.441 174.700 0.003 0.000 1.075 21 T CA -2.873 59.191 62.100 -0.061 0.000 1.005 21 T CB 1.377 70.231 68.868 -0.024 0.000 1.136 21 T HN -0.309 nan 8.240 nan 0.000 0.498 22 P HA 0.358 nan 4.420 nan 0.000 0.267 22 P C 1.126 178.450 177.300 0.040 0.000 1.209 22 P CA 1.130 64.252 63.100 0.037 0.000 0.763 22 P CB 0.306 32.024 31.700 0.029 0.000 0.816 23 G N 1.307 110.137 108.800 0.051 0.000 2.259 23 G HA2 -0.201 3.759 3.960 0.000 0.000 0.217 23 G HA3 -0.201 3.759 3.960 0.000 0.000 0.217 23 G C 0.110 175.044 174.900 0.058 0.000 1.001 23 G CA -0.225 44.904 45.100 0.047 0.000 0.627 23 G HN 0.525 nan 8.290 nan 0.000 0.501 24 V N 1.185 121.142 119.914 0.073 0.000 2.881 24 V HA 0.536 4.656 4.120 0.000 0.000 0.303 24 V C 0.664 176.842 176.094 0.138 0.000 1.070 24 V CA -0.236 62.123 62.300 0.098 0.000 1.074 24 V CB 1.831 33.718 31.823 0.107 0.000 1.012 24 V HN 0.372 nan 8.190 nan 0.000 0.482 25 V N 4.763 124.760 119.914 0.138 0.000 2.325 25 V HA 0.314 4.435 4.120 0.000 0.000 0.280 25 V C -0.410 175.801 176.094 0.196 0.000 1.016 25 V CA -0.471 61.918 62.300 0.148 0.000 0.818 25 V CB 0.991 32.847 31.823 0.055 0.000 1.019 25 V HN 0.654 nan 8.190 nan 0.000 0.434 26 F N 5.941 125.993 119.950 0.171 0.000 2.443 26 F HA 0.528 5.055 4.527 0.001 0.000 0.353 26 F C 0.731 176.625 175.800 0.157 0.000 1.101 26 F CA -0.272 57.853 58.000 0.209 0.000 1.226 26 F CB 0.652 39.875 39.000 0.372 0.000 1.140 26 F HN 0.320 nan 8.300 nan 0.000 0.557 27 R N 4.236 124.382 120.500 -0.590 0.000 2.239 27 R HA 0.169 4.509 4.340 0.000 0.000 0.332 27 R C -1.263 174.743 176.300 -0.490 0.000 0.988 27 R CA -0.717 55.138 56.100 -0.408 0.000 0.859 27 R CB 0.661 30.774 30.300 -0.312 0.000 1.148 27 R HN 0.564 nan 8.270 nan 0.000 0.482 28 D N 3.208 123.601 120.400 -0.010 0.000 2.313 28 D HA 0.082 4.722 4.640 0.000 0.000 0.239 28 D C 1.147 177.536 176.300 0.148 0.000 1.142 28 D CA -0.656 53.464 54.000 0.200 0.000 0.847 28 D CB 0.911 41.996 40.800 0.474 0.000 1.082 28 D HN 0.429 nan 8.370 nan 0.000 0.480 29 I N 1.140 121.800 120.570 0.150 0.000 3.444 29 I HA 0.035 4.205 4.170 0.000 0.000 0.287 29 I C 1.609 177.856 176.117 0.217 0.000 1.302 29 I CA 0.300 61.724 61.300 0.206 0.000 1.368 29 I CB -0.776 37.403 38.000 0.299 0.000 1.048 29 I HN 0.109 nan 8.210 nan 0.000 0.487 30 S N 2.091 117.898 115.700 0.179 0.000 2.374 30 S HA -0.106 4.364 4.470 0.000 0.000 0.227 30 S C -0.204 174.464 174.600 0.112 0.000 1.037 30 S CA 2.088 60.365 58.200 0.128 0.000 1.024 30 S CB -1.393 61.869 63.200 0.103 0.000 0.861 30 S HN 0.457 nan 8.310 nan 0.000 0.456 31 P HA 0.011 nan 4.420 nan 0.000 0.220 31 P C 1.409 178.781 177.300 0.120 0.000 1.148 31 P CA 0.558 63.720 63.100 0.103 0.000 0.803 31 P CB -0.097 31.660 31.700 0.095 0.000 0.782 32 V N -0.169 119.847 119.914 0.170 0.000 2.295 32 V HA -0.199 3.921 4.120 0.000 0.000 0.246 32 V C 2.398 178.644 176.094 0.252 0.000 1.049 32 V CA 1.489 63.929 62.300 0.234 0.000 1.024 32 V CB -1.144 30.872 31.823 0.322 0.000 0.648 32 V HN 0.088 nan 8.190 nan 0.000 0.447 33 L N -0.011 121.313 121.223 0.167 0.000 2.131 33 L HA -0.170 4.170 4.340 0.000 0.000 0.210 33 L C 2.406 179.231 176.870 -0.074 0.000 1.092 33 L CA 1.961 56.765 54.840 -0.060 0.000 0.759 33 L CB -1.084 40.883 42.059 -0.154 0.000 0.903 33 L HN 0.416 nan 8.230 nan 0.000 0.435 34 K N -0.414 119.989 120.400 0.004 0.000 2.167 34 K HA -0.119 4.201 4.320 0.000 0.000 0.203 34 K C 0.411 177.024 176.600 0.021 0.000 1.052 34 K CA 0.456 56.743 56.287 -0.000 0.000 0.956 34 K CB 0.197 32.709 32.500 0.020 0.000 0.735 34 K HN 0.063 nan 8.250 nan 0.000 0.451 35 D N 0.891 121.327 120.400 0.059 0.000 2.347 35 D HA 0.075 4.716 4.640 0.000 0.000 0.235 35 D C -1.746 174.617 176.300 0.104 0.000 1.149 35 D CA -2.589 51.454 54.000 0.071 0.000 0.850 35 D CB 1.634 42.482 40.800 0.080 0.000 1.061 35 D HN -0.008 nan 8.370 nan 0.000 0.487 36 P HA -0.167 nan 4.420 nan 0.000 0.218 36 P C 1.008 178.394 177.300 0.145 0.000 1.148 36 P CA 0.961 64.132 63.100 0.118 0.000 0.822 36 P CB 0.232 31.976 31.700 0.073 0.000 0.784 37 A N 0.705 123.586 122.820 0.103 0.000 1.969 37 A HA -0.135 4.185 4.320 0.000 0.000 0.218 37 A C 2.487 180.131 177.584 0.100 0.000 1.169 37 A CA 2.202 54.291 52.037 0.087 0.000 0.635 37 A CB -1.363 17.674 19.000 0.062 0.000 0.810 37 A HN 0.400 nan 8.150 nan 0.000 0.445 38 S N -1.622 114.153 115.700 0.124 0.000 2.425 38 S HA -0.061 4.409 4.470 0.000 0.000 0.225 38 S C 1.814 176.527 174.600 0.188 0.000 1.024 38 S CA 1.013 59.293 58.200 0.133 0.000 0.951 38 S CB -0.629 62.647 63.200 0.126 0.000 0.796 38 S HN 0.430 nan 8.310 nan 0.000 0.498 39 F N 3.933 123.933 119.950 0.082 0.000 2.102 39 F HA -0.015 4.512 4.527 0.000 0.000 0.298 39 F C 2.660 178.520 175.800 0.099 0.000 1.105 39 F CA 1.813 59.872 58.000 0.099 0.000 1.239 39 F CB -0.534 38.492 39.000 0.043 0.000 0.991 39 F HN 0.263 nan 8.300 nan 0.000 0.474 40 R N 0.639 121.173 120.500 0.056 0.000 2.096 40 R HA -0.101 4.239 4.340 0.000 0.000 0.235 40 R C 2.182 178.452 176.300 -0.050 0.000 1.127 40 R CA 1.386 57.462 56.100 -0.040 0.000 0.968 40 R CB -0.861 29.473 30.300 0.056 0.000 0.861 40 R HN 0.298 nan 8.270 nan 0.000 0.440 41 A N 1.223 124.044 122.820 0.001 0.000 1.902 41 A HA -0.064 4.256 4.320 0.000 0.000 0.217 41 A C 2.467 180.042 177.584 -0.015 0.000 1.181 41 A CA 1.675 53.715 52.037 0.004 0.000 0.623 41 A CB -0.761 18.258 19.000 0.031 0.000 0.818 41 A HN 0.591 nan 8.150 nan 0.000 0.443 42 A N -0.127 122.679 122.820 -0.023 0.000 1.873 42 A HA -0.016 4.304 4.320 0.000 0.000 0.215 42 A C 2.017 179.563 177.584 -0.063 0.000 1.186 42 A CA 1.544 53.572 52.037 -0.015 0.000 0.616 42 A CB -0.451 18.593 19.000 0.073 0.000 0.823 42 A HN 0.392 nan 8.150 nan 0.000 0.442 43 I N 0.098 120.559 120.570 -0.182 0.000 2.226 43 I HA -0.176 3.994 4.170 0.000 0.000 0.245 43 I C 2.682 178.754 176.117 -0.076 0.000 1.100 43 I CA 1.576 62.778 61.300 -0.163 0.000 1.374 43 I CB -1.947 35.858 38.000 -0.324 0.000 1.057 43 I HN 0.357 nan 8.210 nan 0.000 0.413 44 G N 0.812 109.571 108.800 -0.068 0.000 2.422 44 G HA2 -0.178 3.782 3.960 0.000 0.000 0.218 44 G HA3 -0.178 3.782 3.960 0.000 0.000 0.218 44 G C 1.870 176.759 174.900 -0.018 0.000 1.146 44 G CA 0.374 45.453 45.100 -0.035 0.000 0.769 44 G HN 0.305 nan 8.290 nan 0.000 0.547 45 L N -0.354 120.864 121.223 -0.008 0.000 2.027 45 L HA -0.019 4.321 4.340 0.000 0.000 0.206 45 L C 2.735 179.618 176.870 0.022 0.000 1.074 45 L CA 0.284 55.133 54.840 0.016 0.000 0.745 45 L CB -0.381 41.699 42.059 0.035 0.000 0.898 45 L HN 0.099 nan 8.230 nan 0.000 0.433 46 L N -0.178 121.060 121.223 0.025 0.000 2.046 46 L HA -0.165 4.176 4.340 0.000 0.000 0.208 46 L C 2.768 179.644 176.870 0.010 0.000 1.077 46 L CA 2.089 56.948 54.840 0.031 0.000 0.747 46 L CB -1.564 40.519 42.059 0.040 0.000 0.896 46 L HN 0.211 nan 8.230 nan 0.000 0.432 47 A N -0.727 122.091 122.820 -0.004 0.000 1.877 47 A HA -0.219 4.101 4.320 0.000 0.000 0.216 47 A C 2.468 180.026 177.584 -0.042 0.000 1.186 47 A CA 1.559 53.585 52.037 -0.018 0.000 0.620 47 A CB -0.441 18.548 19.000 -0.019 0.000 0.822 47 A HN 0.353 nan 8.150 nan 0.000 0.443 48 R N -1.713 118.764 120.500 -0.039 0.000 2.081 48 R HA -0.165 4.175 4.340 0.000 0.000 0.235 48 R C 2.266 178.507 176.300 -0.100 0.000 1.131 48 R CA 1.660 57.726 56.100 -0.057 0.000 0.960 48 R CB -0.615 29.663 30.300 -0.037 0.000 0.856 48 R HN 0.835 nan 8.270 nan 0.000 0.436 49 H N 1.119 120.064 119.070 -0.208 0.000 2.289 49 H HA -0.109 4.447 4.556 0.000 0.000 0.296 49 H C 1.920 177.074 175.328 -0.290 0.000 1.091 49 H CA 1.936 57.770 56.048 -0.357 0.000 1.274 49 H CB -0.316 29.015 29.762 -0.718 0.000 1.364 49 H HN 0.061 nan 8.280 nan 0.000 0.490 50 L N -0.318 120.714 121.223 -0.319 0.000 2.093 50 L HA -0.123 4.217 4.340 0.000 0.000 0.208 50 L C 2.620 179.395 176.870 -0.158 0.000 1.085 50 L CA 1.613 56.321 54.840 -0.220 0.000 0.755 50 L CB -0.409 41.642 42.059 -0.013 0.000 0.904 50 L HN 0.244 nan 8.230 nan 0.000 0.435 51 K N 0.802 121.123 120.400 -0.133 0.000 2.026 51 K HA -0.125 4.195 4.320 0.000 0.000 0.208 51 K C 2.065 178.577 176.600 -0.148 0.000 1.048 51 K CA 1.603 57.828 56.287 -0.103 0.000 0.929 51 K CB -0.343 32.112 32.500 -0.075 0.000 0.713 51 K HN 0.189 nan 8.250 nan 0.000 0.439 52 A N -0.302 122.401 122.820 -0.195 0.000 1.933 52 A HA -0.136 4.184 4.320 0.000 0.000 0.218 52 A C 2.227 179.643 177.584 -0.281 0.000 1.175 52 A CA 2.241 54.157 52.037 -0.203 0.000 0.628 52 A CB -1.027 17.859 19.000 -0.189 0.000 0.814 52 A HN 0.470 nan 8.150 nan 0.000 0.444 53 T N -1.073 113.203 114.554 -0.463 0.000 2.809 53 T HA -0.028 4.323 4.350 0.000 0.000 0.260 53 T C 1.457 175.763 174.700 -0.657 0.000 1.039 53 T CA 1.346 63.052 62.100 -0.656 0.000 1.141 53 T CB -0.277 67.965 68.868 -1.044 0.000 0.869 53 T HN 0.663 nan 8.240 nan 0.000 0.437 54 H N -0.358 118.603 119.070 -0.181 0.000 2.652 54 H HA 0.377 4.933 4.556 0.001 0.000 0.274 54 H C 1.739 177.011 175.328 -0.094 0.000 1.021 54 H CA 0.385 56.363 56.048 -0.118 0.000 1.187 54 H CB 0.288 29.986 29.762 -0.106 0.000 1.505 54 H HN 0.491 nan 8.280 nan 0.000 0.530 55 G N 1.056 109.832 108.800 -0.039 0.000 2.198 55 G HA2 -0.275 3.686 3.960 0.000 0.000 0.260 55 G HA3 -0.275 3.686 3.960 0.000 0.000 0.260 55 G C 1.309 176.195 174.900 -0.024 0.000 1.025 55 G CA 0.816 45.892 45.100 -0.040 0.000 0.769 55 G HN 0.867 nan 8.290 nan 0.000 0.507 56 G N -1.494 107.296 108.800 -0.016 0.000 2.241 56 G HA2 -0.238 3.722 3.960 0.000 0.000 0.244 56 G HA3 -0.238 3.722 3.960 0.000 0.000 0.244 56 G C 0.499 175.383 174.900 -0.026 0.000 0.998 56 G CA 0.765 45.851 45.100 -0.024 0.000 0.621 56 G HN 1.180 nan 8.290 nan 0.000 0.519 57 R N 0.713 121.209 120.500 -0.007 0.000 3.701 57 R HA 0.646 4.986 4.340 0.000 0.000 0.210 57 R C 0.088 176.358 176.300 -0.051 0.000 1.598 57 R CA 0.250 56.336 56.100 -0.024 0.000 1.427 57 R CB -0.245 30.050 30.300 -0.009 0.000 1.339 57 R HN 0.461 nan 8.270 nan 0.000 0.720 58 I N -0.167 120.355 120.570 -0.079 0.000 2.545 58 I HA 0.219 4.389 4.170 0.000 0.000 0.292 58 I C 0.349 176.382 176.117 -0.141 0.000 1.040 58 I CA -0.617 60.612 61.300 -0.117 0.000 1.068 58 I CB 2.546 40.475 38.000 -0.117 0.000 1.251 58 I HN 0.274 nan 8.210 nan 0.000 0.424 59 D N 3.855 124.163 120.400 -0.153 0.000 2.149 59 D HA 0.005 4.646 4.640 0.000 0.000 0.206 59 D C -0.484 175.431 176.300 -0.642 0.000 0.967 59 D CA 1.797 55.603 54.000 -0.324 0.000 0.848 59 D CB 0.337 41.039 40.800 -0.164 0.000 0.998 59 D HN 0.304 nan 8.370 nan 0.000 0.474 60 Y N -0.284 120.003 120.300 -0.022 0.000 2.534 60 Y HA 0.306 4.857 4.550 0.001 0.000 0.345 60 Y C -0.066 175.831 175.900 -0.005 0.000 1.031 60 Y CA -1.097 56.998 58.100 -0.009 0.000 1.022 60 Y CB 1.768 40.226 38.460 -0.003 0.000 1.292 60 Y HN -0.259 nan 8.280 nan 0.000 0.459 61 I N 2.430 123.104 120.570 0.173 0.000 2.395 61 I HA 0.413 4.583 4.170 0.000 0.000 0.289 61 I C 0.249 176.456 176.117 0.149 0.000 1.023 61 I CA -0.631 60.750 61.300 0.135 0.000 1.350 61 I CB 0.780 38.848 38.000 0.113 0.000 1.409 61 I HN 0.726 nan 8.210 nan 0.000 0.507 62 A N 5.668 128.563 122.820 0.125 0.000 2.253 62 A HA 0.663 4.983 4.320 0.000 0.000 0.316 62 A C 0.478 178.152 177.584 0.150 0.000 1.327 62 A CA -0.467 51.639 52.037 0.115 0.000 0.917 62 A CB 0.286 19.340 19.000 0.091 0.000 1.162 62 A HN 0.856 nan 8.150 nan 0.000 0.535 63 G N 1.817 110.728 108.800 0.186 0.000 2.370 63 G HA2 0.507 4.467 3.960 0.000 0.000 0.272 63 G HA3 0.507 4.467 3.960 0.000 0.000 0.272 63 G C -0.333 174.801 174.900 0.390 0.000 1.208 63 G CA -0.463 44.817 45.100 0.299 0.000 0.856 63 G HN 0.689 nan 8.290 nan 0.000 0.500 64 L N 2.440 123.830 121.223 0.277 0.000 2.275 64 L HA 0.193 4.533 4.340 0.000 0.000 0.288 64 L C 0.096 176.870 176.870 -0.161 0.000 1.046 64 L CA -0.973 53.934 54.840 0.113 0.000 0.805 64 L CB 1.479 43.565 42.059 0.044 0.000 1.193 64 L HN 0.450 nan 8.230 nan 0.000 0.426 65 D N 1.518 121.678 120.400 -0.399 0.000 2.531 65 D HA -0.038 4.602 4.640 0.000 0.000 0.239 65 D C 0.839 176.885 176.300 -0.422 0.000 1.144 65 D CA 0.290 53.776 54.000 -0.858 0.000 0.869 65 D CB 1.172 41.749 40.800 -0.372 0.000 1.160 65 D HN 0.625 nan 8.370 nan 0.000 0.484 66 S N 3.859 119.334 115.700 -0.374 0.000 2.641 66 S HA 0.082 4.553 4.470 0.000 0.000 0.239 66 S C 1.696 176.134 174.600 -0.269 0.000 1.081 66 S CA -0.388 57.498 58.200 -0.525 0.000 0.904 66 S CB 0.212 63.284 63.200 -0.214 0.000 0.803 66 S HN 0.439 nan 8.310 nan 0.000 0.510 67 R N 1.382 121.850 120.500 -0.053 0.000 2.148 67 R HA 0.061 4.402 4.340 0.000 0.000 0.227 67 R C 2.418 178.865 176.300 0.245 0.000 1.103 67 R CA 1.088 57.259 56.100 0.119 0.000 0.983 67 R CB -0.738 29.665 30.300 0.171 0.000 0.874 67 R HN 0.585 nan 8.270 nan 0.000 0.451 68 G N 0.541 109.448 108.800 0.179 0.000 2.448 68 G HA2 -0.220 3.741 3.960 0.000 0.000 0.219 68 G HA3 -0.220 3.741 3.960 0.000 0.000 0.219 68 G C 1.011 176.176 174.900 0.442 0.000 1.127 68 G CA 0.277 45.560 45.100 0.304 0.000 0.766 68 G HN 0.163 nan 8.290 nan 0.000 0.552 69 F N 0.824 120.865 119.950 0.152 0.000 2.269 69 F HA 0.098 4.625 4.527 0.000 0.000 0.301 69 F C 2.481 178.325 175.800 0.073 0.000 1.082 69 F CA -0.023 58.039 58.000 0.104 0.000 1.360 69 F CB -0.647 38.394 39.000 0.068 0.000 1.041 69 F HN 0.100 nan 8.300 nan 0.000 0.512 70 L N -2.260 119.102 121.223 0.231 0.000 2.291 70 L HA -0.146 4.194 4.340 0.000 0.000 0.214 70 L C 1.867 178.614 176.870 -0.206 0.000 1.120 70 L CA 0.917 55.721 54.840 -0.061 0.000 0.799 70 L CB -0.522 41.407 42.059 -0.216 0.000 0.925 70 L HN -0.013 nan 8.230 nan 0.000 0.446 71 F N -1.299 118.815 119.950 0.273 0.000 2.602 71 F HA 0.233 4.760 4.527 -0.000 0.000 0.284 71 F C 2.395 178.304 175.800 0.182 0.000 1.111 71 F CA 0.461 58.611 58.000 0.251 0.000 1.405 71 F CB -0.872 38.240 39.000 0.186 0.000 1.121 71 F HN -0.105 nan 8.300 nan 0.000 0.603 72 G N 1.609 110.610 108.800 0.336 0.000 2.480 72 G HA2 -0.186 3.774 3.960 0.000 0.000 0.216 72 G HA3 -0.186 3.774 3.960 0.000 0.000 0.216 72 G C -0.721 174.275 174.900 0.161 0.000 1.200 72 G CA 0.976 46.216 45.100 0.233 0.000 0.782 72 G HN 0.179 nan 8.290 nan 0.000 0.554 73 P HA -0.064 nan 4.420 nan 0.000 0.215 73 P C 2.295 179.656 177.300 0.101 0.000 1.157 73 P CA 1.952 65.102 63.100 0.083 0.000 0.874 73 P CB -0.146 31.581 31.700 0.045 0.000 0.790 74 S N -0.693 115.094 115.700 0.146 0.000 2.382 74 S HA -0.130 4.340 4.470 0.000 0.000 0.228 74 S C 1.786 176.442 174.600 0.093 0.000 1.027 74 S CA 0.854 59.145 58.200 0.152 0.000 0.991 74 S CB -1.144 62.230 63.200 0.290 0.000 0.823 74 S HN 0.039 nan 8.310 nan 0.000 0.469 75 L N 2.131 123.417 121.223 0.106 0.000 2.017 75 L HA -0.002 4.338 4.340 0.000 0.000 0.208 75 L C 2.428 179.332 176.870 0.057 0.000 1.073 75 L CA 1.897 56.783 54.840 0.076 0.000 0.745 75 L CB -1.281 40.845 42.059 0.111 0.000 0.894 75 L HN 0.248 nan 8.230 nan 0.000 0.432 76 A N -1.111 121.751 122.820 0.070 0.000 1.865 76 A HA -0.319 4.002 4.320 0.000 0.000 0.217 76 A C 2.332 179.934 177.584 0.031 0.000 1.191 76 A CA 2.004 54.072 52.037 0.050 0.000 0.623 76 A CB -0.836 18.205 19.000 0.068 0.000 0.826 76 A HN 0.645 nan 8.150 nan 0.000 0.444 77 Q N -0.890 118.934 119.800 0.040 0.000 2.096 77 Q HA -0.273 4.067 4.340 0.000 0.000 0.204 77 Q C 2.026 178.038 176.000 0.020 0.000 0.982 77 Q CA 2.028 57.849 55.803 0.030 0.000 0.850 77 Q CB -0.157 28.606 28.738 0.042 0.000 0.901 77 Q HN 0.662 nan 8.270 nan 0.000 0.422 78 E N 0.332 120.545 120.200 0.021 0.000 2.160 78 E HA -0.156 4.194 4.350 0.000 0.000 0.195 78 E C 1.528 178.127 176.600 -0.002 0.000 0.991 78 E CA 1.170 57.574 56.400 0.008 0.000 0.810 78 E CB -0.157 29.543 29.700 0.000 0.000 0.742 78 E HN 0.474 nan 8.360 nan 0.000 0.466 79 L N -1.196 120.025 121.223 -0.003 0.000 2.558 79 L HA 0.245 4.585 4.340 0.000 0.000 0.225 79 L C 1.270 178.126 176.870 -0.024 0.000 1.128 79 L CA 0.305 55.136 54.840 -0.015 0.000 0.868 79 L CB 0.016 42.066 42.059 -0.015 0.000 1.006 79 L HN 0.399 nan 8.230 nan 0.000 0.454 80 G N 0.855 109.644 108.800 -0.018 0.000 2.198 80 G HA2 -0.260 3.701 3.960 0.000 0.000 0.257 80 G HA3 -0.260 3.701 3.960 0.000 0.000 0.257 80 G C -0.073 174.800 174.900 -0.045 0.000 1.042 80 G CA 0.111 45.196 45.100 -0.026 0.000 0.791 80 G HN 0.246 nan 8.290 nan 0.000 0.502 81 L N -0.634 120.563 121.223 -0.043 0.000 2.303 81 L HA 0.822 5.162 4.340 0.000 0.000 0.266 81 L C 1.239 178.093 176.870 -0.027 0.000 1.011 81 L CA -0.868 53.922 54.840 -0.084 0.000 0.818 81 L CB 1.570 43.572 42.059 -0.095 0.000 1.326 81 L HN 0.188 nan 8.230 nan 0.000 0.435 82 G N -0.665 108.117 108.800 -0.031 0.000 2.572 82 G HA2 0.345 4.305 3.960 0.000 0.000 0.261 82 G HA3 0.345 4.305 3.960 0.000 0.000 0.261 82 G C -1.092 173.968 174.900 0.266 0.000 1.197 82 G CA -0.185 45.019 45.100 0.173 0.000 0.870 82 G HN 0.604 nan 8.290 nan 0.000 0.548 83 C N 1.602 121.023 119.300 0.201 0.000 2.369 83 C HA 0.698 5.158 4.460 0.000 0.000 0.322 83 C C 0.240 175.264 174.990 0.057 0.000 1.258 83 C CA -0.533 58.566 59.018 0.136 0.000 1.487 83 C CB -0.104 27.677 27.740 0.069 0.000 2.165 83 C HN 0.811 nan 8.230 nan 0.000 0.483 84 V N 5.128 125.058 119.914 0.026 0.000 2.975 84 V HA 0.737 4.857 4.120 0.000 0.000 0.318 84 V C -0.674 175.417 176.094 -0.006 0.000 1.077 84 V CA -0.730 61.536 62.300 -0.055 0.000 1.000 84 V CB 1.647 33.381 31.823 -0.150 0.000 1.066 84 V HN 0.794 nan 8.190 nan 0.000 0.452 85 L N 2.887 124.105 121.223 -0.009 0.000 2.341 85 L HA 0.624 4.964 4.340 0.000 0.000 0.278 85 L C -0.737 176.209 176.870 0.126 0.000 1.005 85 L CA -0.433 54.442 54.840 0.059 0.000 0.818 85 L CB 1.892 43.930 42.059 -0.035 0.000 1.259 85 L HN 0.560 nan 8.230 nan 0.000 0.418 86 I N 3.566 124.264 120.570 0.214 0.000 2.389 86 I HA 0.479 4.649 4.170 0.000 0.000 0.288 86 I C -0.214 176.023 176.117 0.200 0.000 0.999 86 I CA -0.508 60.891 61.300 0.164 0.000 1.129 86 I CB 1.475 39.541 38.000 0.110 0.000 1.288 86 I HN 0.564 nan 8.210 nan 0.000 0.444 87 R N 4.673 125.274 120.500 0.168 0.000 2.854 87 R HA 0.520 4.860 4.340 0.000 0.000 0.271 87 R C -0.730 175.639 176.300 0.115 0.000 0.994 87 R CA -1.235 54.962 56.100 0.161 0.000 0.945 87 R CB 2.387 32.807 30.300 0.201 0.000 1.194 87 R HN 0.481 nan 8.270 nan 0.000 0.476 88 K N 1.782 122.236 120.400 0.090 0.000 2.436 88 K HA -0.008 4.312 4.320 0.000 0.000 0.275 88 K C 0.357 177.013 176.600 0.093 0.000 0.999 88 K CA 0.070 56.419 56.287 0.104 0.000 0.980 88 K CB 0.451 32.997 32.500 0.077 0.000 0.919 88 K HN 0.366 nan 8.250 nan 0.000 0.484 89 R N 0.750 121.301 120.500 0.086 0.000 2.583 89 R HA -0.087 4.254 4.340 0.000 0.000 0.274 89 R C 0.898 177.209 176.300 0.017 0.000 0.998 89 R CA 1.770 57.895 56.100 0.040 0.000 1.081 89 R CB -0.153 30.129 30.300 -0.030 0.000 0.940 89 R HN 0.871 nan 8.270 nan 0.000 0.413 90 G N 3.199 112.009 108.800 0.016 0.000 2.232 90 G HA2 -0.225 3.735 3.960 0.000 0.000 0.226 90 G HA3 -0.225 3.735 3.960 0.000 0.000 0.226 90 G C 0.769 175.688 174.900 0.031 0.000 0.996 90 G CA 0.213 45.319 45.100 0.010 0.000 0.626 90 G HN 0.556 nan 8.290 nan 0.000 0.509 91 K N -0.103 120.328 120.400 0.052 0.000 2.262 91 K HA 0.343 4.664 4.320 0.000 0.000 0.200 91 K C 1.149 177.789 176.600 0.066 0.000 1.049 91 K CA 0.329 56.655 56.287 0.066 0.000 0.979 91 K CB 0.170 32.726 32.500 0.093 0.000 0.773 91 K HN 0.465 nan 8.250 nan 0.000 0.474 92 L N 3.572 124.835 121.223 0.067 0.000 2.307 92 L HA 0.268 4.608 4.340 0.000 0.000 0.282 92 L C -2.010 174.886 176.870 0.044 0.000 1.051 92 L CA -1.962 52.912 54.840 0.057 0.000 0.804 92 L CB 1.186 43.284 42.059 0.064 0.000 1.197 92 L HN -0.027 nan 8.230 nan 0.000 0.431 93 P HA 0.370 nan 4.420 nan 0.000 0.276 93 P C 0.057 177.374 177.300 0.028 0.000 1.252 93 P CA 0.128 63.245 63.100 0.027 0.000 0.802 93 P CB 1.260 32.972 31.700 0.020 0.000 1.035 94 G N 1.395 110.211 108.800 0.027 0.000 2.828 94 G HA2 -0.113 3.847 3.960 0.000 0.000 0.463 94 G HA3 -0.113 3.847 3.960 0.000 0.000 0.463 94 G C -2.881 172.042 174.900 0.038 0.000 1.394 94 G CA -0.941 44.175 45.100 0.027 0.000 0.862 94 G HN 0.544 nan 8.290 nan 0.000 0.540 95 P HA 0.395 nan 4.420 nan 0.000 0.265 95 P C 0.381 177.714 177.300 0.055 0.000 1.193 95 P CA 0.780 63.907 63.100 0.046 0.000 0.765 95 P CB 0.771 32.490 31.700 0.033 0.000 0.823 96 T N 0.446 115.051 114.554 0.085 0.000 2.916 96 T HA 0.697 5.047 4.350 0.000 0.000 0.292 96 T C -0.405 174.361 174.700 0.111 0.000 1.055 96 T CA -0.999 61.163 62.100 0.104 0.000 1.009 96 T CB 0.908 69.862 68.868 0.143 0.000 1.118 96 T HN 0.073 nan 8.240 nan 0.000 0.497 97 L N 1.747 123.019 121.223 0.080 0.000 2.344 97 L HA 0.742 5.082 4.340 0.000 0.000 0.272 97 L C -0.292 176.655 176.870 0.128 0.000 1.035 97 L CA -1.080 53.770 54.840 0.017 0.000 0.807 97 L CB 1.327 43.358 42.059 -0.046 0.000 1.237 97 L HN 0.746 nan 8.230 nan 0.000 0.442 98 W N 1.204 122.523 121.300 0.032 0.000 3.033 98 W HA 0.862 5.522 4.660 0.000 0.000 0.336 98 W C -1.636 174.912 176.519 0.049 0.000 1.173 98 W CA -1.301 56.071 57.345 0.044 0.000 1.185 98 W CB 1.789 31.275 29.460 0.044 0.000 1.425 98 W HN 0.576 nan 8.180 nan 0.000 0.536 99 A N 2.198 125.272 122.820 0.423 0.000 2.427 99 A HA 0.588 4.908 4.320 0.000 0.000 0.298 99 A C -0.356 177.482 177.584 0.424 0.000 1.036 99 A CA -0.477 51.733 52.037 0.290 0.000 0.701 99 A CB 1.327 20.409 19.000 0.136 0.000 1.250 99 A HN 0.795 nan 8.150 nan 0.000 0.412 100 S N 1.074 117.010 115.700 0.393 0.000 2.632 100 S HA 0.831 5.301 4.470 0.000 0.000 0.267 100 S C -0.295 174.478 174.600 0.289 0.000 1.276 100 S CA 0.057 58.430 58.200 0.288 0.000 0.998 100 S CB 0.610 63.935 63.200 0.208 0.000 0.953 100 S HN 1.813 nan 8.310 nan 0.000 0.547 101 Y N -1.804 118.541 120.300 0.075 0.000 2.689 101 Y HA 0.701 5.251 4.550 0.001 0.000 0.333 101 Y C -0.655 175.263 175.900 0.029 0.000 1.208 101 Y CA -1.153 56.974 58.100 0.045 0.000 1.055 101 Y CB 0.873 39.357 38.460 0.039 0.000 1.304 101 Y HN 0.685 nan 8.280 nan 0.000 0.455 102 S N 2.797 118.530 115.700 0.055 0.000 2.465 102 S HA 0.518 4.988 4.470 0.000 0.000 0.279 102 S C -1.172 173.417 174.600 -0.019 0.000 1.201 102 S CA -0.626 57.550 58.200 -0.040 0.000 1.053 102 S CB 0.088 63.295 63.200 0.011 0.000 0.953 102 S HN 0.737 nan 8.310 nan 0.000 0.488 103 L N 5.255 126.402 121.223 -0.126 0.000 2.372 103 L HA 0.404 4.744 4.340 0.000 0.000 0.273 103 L C 0.470 177.331 176.870 -0.016 0.000 0.989 103 L CA -0.024 54.791 54.840 -0.040 0.000 0.841 103 L CB 0.477 42.461 42.059 -0.126 0.000 1.225 103 L HN 1.068 nan 8.230 nan 0.000 0.414 104 E N 3.045 123.247 120.200 0.002 0.000 3.365 104 E HA -0.388 3.962 4.350 0.000 0.000 0.433 104 E C -0.116 176.439 176.600 -0.075 0.000 1.581 104 E CA 2.613 59.007 56.400 -0.011 0.000 1.316 104 E CB -0.736 29.023 29.700 0.100 0.000 1.452 104 E HN 0.724 nan 8.360 nan 0.000 0.452 105 Y N 0.533 120.810 120.300 -0.037 0.000 2.466 105 Y HA 0.349 4.899 4.550 0.000 0.000 0.272 105 Y C 1.107 176.981 175.900 -0.043 0.000 1.169 105 Y CA 0.604 58.683 58.100 -0.035 0.000 1.285 105 Y CB 1.137 39.576 38.460 -0.035 0.000 1.078 105 Y HN 0.317 nan 8.280 nan 0.000 0.523 106 G N -0.657 108.178 108.800 0.059 0.000 3.247 106 G HA2 0.465 4.425 3.960 0.000 0.000 0.226 106 G HA3 0.465 4.425 3.960 0.000 0.000 0.226 106 G C -1.380 173.476 174.900 -0.073 0.000 1.220 106 G CA -0.789 44.309 45.100 -0.003 0.000 0.875 106 G HN -0.114 nan 8.290 nan 0.000 0.606 107 K N -0.724 119.610 120.400 -0.110 0.000 2.422 107 K HA 0.696 5.016 4.320 0.000 0.000 0.251 107 K C -0.843 175.602 176.600 -0.259 0.000 0.933 107 K CA -0.561 55.617 56.287 -0.182 0.000 0.798 107 K CB 2.162 34.596 32.500 -0.110 0.000 1.238 107 K HN 0.762 nan 8.250 nan 0.000 0.428 108 A N 2.815 125.347 122.820 -0.480 0.000 2.524 108 A HA 0.710 5.031 4.320 0.000 0.000 0.286 108 A C -1.542 175.821 177.584 -0.370 0.000 1.203 108 A CA -0.694 51.066 52.037 -0.463 0.000 0.736 108 A CB 1.464 20.136 19.000 -0.546 0.000 1.322 108 A HN 0.718 nan 8.150 nan 0.000 0.424 109 E N -0.841 119.326 120.200 -0.054 0.000 2.340 109 E HA 0.625 4.975 4.350 0.000 0.000 0.273 109 E C -1.721 175.079 176.600 0.332 0.000 0.891 109 E CA -0.516 56.002 56.400 0.197 0.000 0.757 109 E CB 2.285 32.021 29.700 0.060 0.000 1.231 109 E HN 0.361 nan 8.360 nan 0.000 0.439 110 L N 1.781 123.224 121.223 0.368 0.000 2.303 110 L HA 0.560 4.900 4.340 0.000 0.000 0.266 110 L C -0.619 176.398 176.870 0.244 0.000 1.011 110 L CA -0.427 54.559 54.840 0.243 0.000 0.818 110 L CB 1.585 43.728 42.059 0.140 0.000 1.326 110 L HN 0.679 nan 8.230 nan 0.000 0.435 111 E N 1.166 121.479 120.200 0.188 0.000 2.413 111 E HA 0.688 5.039 4.350 0.000 0.000 0.277 111 E C -1.492 175.186 176.600 0.130 0.000 0.958 111 E CA -0.763 55.750 56.400 0.188 0.000 0.779 111 E CB 2.756 32.573 29.700 0.195 0.000 1.278 111 E HN 0.438 nan 8.360 nan 0.000 0.456 112 I N 0.674 121.309 120.570 0.108 0.000 2.769 112 I HA 0.205 4.375 4.170 0.000 0.000 0.298 112 I C -0.979 175.171 176.117 0.056 0.000 1.128 112 I CA -0.787 60.555 61.300 0.070 0.000 1.031 112 I CB 2.316 40.344 38.000 0.046 0.000 1.235 112 I HN 0.624 nan 8.210 nan 0.000 0.423 113 Q N 5.206 125.026 119.800 0.035 0.000 2.337 113 Q HA 0.117 4.458 4.340 0.000 0.000 0.270 113 Q C 0.498 176.503 176.000 0.008 0.000 1.002 113 Q CA 0.015 55.832 55.803 0.023 0.000 0.888 113 Q CB 1.048 29.790 28.738 0.007 0.000 1.222 113 Q HN 0.499 nan 8.270 nan 0.000 0.400 114 K N 1.370 121.777 120.400 0.012 0.000 2.281 114 K HA -0.168 4.152 4.320 0.000 0.000 0.203 114 K C 0.568 177.161 176.600 -0.012 0.000 1.046 114 K CA 1.428 57.716 56.287 0.001 0.000 0.938 114 K CB 0.125 32.629 32.500 0.006 0.000 0.737 114 K HN 0.628 nan 8.250 nan 0.000 0.458 115 D N -0.799 119.591 120.400 -0.016 0.000 2.463 115 D HA 0.098 4.738 4.640 0.000 0.000 0.224 115 D C 1.118 177.385 176.300 -0.055 0.000 1.174 115 D CA -0.021 53.962 54.000 -0.028 0.000 0.829 115 D CB 0.284 41.072 40.800 -0.019 0.000 0.993 115 D HN -0.000 nan 8.370 nan 0.000 0.497 116 A N 0.250 123.031 122.820 -0.065 0.000 1.933 116 A HA 0.142 4.462 4.320 0.000 0.000 0.218 116 A C 0.919 178.387 177.584 -0.194 0.000 1.175 116 A CA 0.748 52.716 52.037 -0.115 0.000 0.628 116 A CB -0.157 18.789 19.000 -0.091 0.000 0.814 116 A HN 0.371 nan 8.150 nan 0.000 0.444 117 L N -0.644 120.499 121.223 -0.135 0.000 2.434 117 L HA 0.362 4.702 4.340 0.000 0.000 0.260 117 L C -0.743 176.098 176.870 -0.048 0.000 0.983 117 L CA -0.920 53.843 54.840 -0.128 0.000 0.820 117 L CB 2.073 44.074 42.059 -0.097 0.000 1.361 117 L HN 0.167 nan 8.230 nan 0.000 0.410 118 E N 1.611 121.804 120.200 -0.012 0.000 2.314 118 E HA 0.346 4.696 4.350 0.000 0.000 0.262 118 E C -2.419 174.191 176.600 0.017 0.000 1.093 118 E CA -1.760 54.646 56.400 0.009 0.000 0.908 118 E CB 0.778 30.494 29.700 0.027 0.000 1.091 118 E HN 0.236 nan 8.360 nan 0.000 0.425 119 P HA 0.037 nan 4.420 nan 0.000 0.269 119 P C 0.535 177.848 177.300 0.021 0.000 1.209 119 P CA 0.673 63.781 63.100 0.013 0.000 0.776 119 P CB 0.402 32.106 31.700 0.007 0.000 0.876 120 G N 0.222 109.034 108.800 0.020 0.000 2.179 120 G HA2 -0.206 3.754 3.960 0.000 0.000 0.260 120 G HA3 -0.206 3.754 3.960 0.000 0.000 0.260 120 G C 0.067 174.986 174.900 0.031 0.000 0.977 120 G CA -0.305 44.807 45.100 0.021 0.000 0.641 120 G HN 0.529 nan 8.290 nan 0.000 0.533 121 Q N 0.161 119.992 119.800 0.052 0.000 2.327 121 Q HA 0.485 4.825 4.340 0.000 0.000 0.254 121 Q C 0.620 176.659 176.000 0.066 0.000 0.952 121 Q CA 0.129 55.984 55.803 0.087 0.000 0.884 121 Q CB 0.777 29.624 28.738 0.181 0.000 1.224 121 Q HN 0.550 nan 8.270 nan 0.000 0.422 122 R N 0.614 121.141 120.500 0.044 0.000 2.294 122 R HA 0.614 4.954 4.340 0.000 0.000 0.319 122 R C -0.704 175.600 176.300 0.007 0.000 0.984 122 R CA -0.452 55.645 56.100 -0.004 0.000 0.861 122 R CB 1.274 31.544 30.300 -0.050 0.000 1.104 122 R HN 0.265 nan 8.270 nan 0.000 0.451 123 V N 3.262 123.175 119.914 -0.001 0.000 2.841 123 V HA 0.430 4.550 4.120 0.000 0.000 0.310 123 V C -0.693 175.396 176.094 -0.008 0.000 1.090 123 V CA -0.895 61.426 62.300 0.035 0.000 0.930 123 V CB 2.489 34.355 31.823 0.072 0.000 1.014 123 V HN 0.410 nan 8.190 nan 0.000 0.425 124 V N 4.069 123.989 119.914 0.011 0.000 2.444 124 V HA 0.443 4.563 4.120 0.000 0.000 0.294 124 V C -0.203 175.934 176.094 0.073 0.000 1.022 124 V CA -0.667 61.648 62.300 0.024 0.000 0.850 124 V CB 1.987 33.814 31.823 0.007 0.000 0.992 124 V HN 0.634 nan 8.190 nan 0.000 0.426 125 V N 5.888 125.855 119.914 0.088 0.000 2.530 125 V HA 0.433 4.554 4.120 0.000 0.000 0.282 125 V C 0.012 176.181 176.094 0.125 0.000 1.048 125 V CA -0.267 62.098 62.300 0.107 0.000 0.997 125 V CB 1.458 33.342 31.823 0.102 0.000 0.987 125 V HN 0.609 nan 8.190 nan 0.000 0.477 126 V N 3.706 123.702 119.914 0.137 0.000 2.656 126 V HA 0.639 4.759 4.120 0.000 0.000 0.307 126 V C -0.643 175.544 176.094 0.154 0.000 1.051 126 V CA -0.496 61.890 62.300 0.143 0.000 0.893 126 V CB 2.020 33.940 31.823 0.161 0.000 0.999 126 V HN 0.928 nan 8.190 nan 0.000 0.426 127 D N 1.134 121.608 120.400 0.123 0.000 2.552 127 D HA 0.288 4.929 4.640 0.000 0.000 0.239 127 D C 0.472 176.797 176.300 0.041 0.000 1.139 127 D CA -0.338 53.730 54.000 0.113 0.000 0.914 127 D CB 2.400 43.251 40.800 0.084 0.000 1.461 127 D HN 0.640 nan 8.370 nan 0.000 0.462 128 D N 1.026 121.463 120.400 0.061 0.000 2.144 128 D HA -0.090 4.550 4.640 0.000 0.000 0.199 128 D C 0.604 176.864 176.300 -0.065 0.000 0.984 128 D CA 0.827 54.787 54.000 -0.068 0.000 0.834 128 D CB 0.584 41.465 40.800 0.134 0.000 0.955 128 D HN 0.240 nan 8.370 nan 0.000 0.465 129 L N -0.585 120.642 121.223 0.006 0.000 2.526 129 L HA 0.372 4.712 4.340 0.000 0.000 0.263 129 L C -1.917 174.970 176.870 0.027 0.000 0.943 129 L CA -1.083 53.763 54.840 0.009 0.000 0.859 129 L CB 2.356 44.406 42.059 -0.016 0.000 1.313 129 L HN -0.062 nan 8.230 nan 0.000 0.406 130 L N 4.642 125.885 121.223 0.033 0.000 2.262 130 L HA 0.747 5.087 4.340 0.000 0.000 0.288 130 L C 0.129 176.962 176.870 -0.060 0.000 1.035 130 L CA 0.442 55.255 54.840 -0.045 0.000 0.820 130 L CB 1.185 43.136 42.059 -0.180 0.000 1.204 130 L HN 0.811 nan 8.230 nan 0.000 0.424 131 A N 2.576 125.366 122.820 -0.049 0.000 2.940 131 A HA 0.232 4.553 4.320 0.000 0.000 0.210 131 A C 1.560 179.113 177.584 -0.051 0.000 2.267 131 A CA 0.751 52.769 52.037 -0.031 0.000 1.544 131 A CB -0.589 18.417 19.000 0.009 0.000 1.180 131 A HN 0.694 nan 8.150 nan 0.000 0.403 132 T N -2.926 111.611 114.554 -0.028 0.000 2.962 132 T HA 0.315 4.665 4.350 0.000 0.000 0.270 132 T C 1.440 176.106 174.700 -0.056 0.000 1.088 132 T CA 1.554 63.635 62.100 -0.033 0.000 1.127 132 T CB -0.345 68.520 68.868 -0.004 0.000 0.883 132 T HN 2.215 nan 8.240 nan 0.000 0.493 133 G N 0.197 108.954 108.800 -0.072 0.000 2.141 133 G HA2 -0.143 3.817 3.960 0.000 0.000 0.242 133 G HA3 -0.143 3.817 3.960 0.000 0.000 0.242 133 G C 0.962 175.821 174.900 -0.068 0.000 0.982 133 G CA 0.127 45.165 45.100 -0.103 0.000 0.662 133 G HN 0.887 nan 8.290 nan 0.000 0.527 134 G N 0.506 109.286 108.800 -0.032 0.000 2.453 134 G HA2 0.008 3.968 3.960 0.000 0.000 0.215 134 G HA3 0.008 3.968 3.960 0.000 0.000 0.215 134 G C 1.971 176.755 174.900 -0.192 0.000 1.201 134 G CA 2.553 47.660 45.100 0.012 0.000 0.784 134 G HN 1.392 nan 8.290 nan 0.000 0.545 135 T N -1.060 113.261 114.554 -0.389 0.000 2.788 135 T HA -0.093 4.257 4.350 0.000 0.000 0.268 135 T C 2.315 176.868 174.700 -0.245 0.000 1.044 135 T CA 1.681 63.447 62.100 -0.558 0.000 1.139 135 T CB -0.209 68.379 68.868 -0.467 0.000 0.867 135 T HN 0.115 nan 8.240 nan 0.000 0.454 136 M N 2.374 121.892 119.600 -0.137 0.000 2.175 136 M HA 0.094 4.574 4.480 0.000 0.000 0.264 136 M C 1.967 178.244 176.300 -0.038 0.000 1.063 136 M CA 1.401 56.666 55.300 -0.058 0.000 1.119 136 M CB -0.922 31.654 32.600 -0.039 0.000 1.377 136 M HN 0.286 nan 8.290 nan 0.000 0.415 137 N N 0.168 118.839 118.700 -0.049 0.000 2.084 137 N HA -0.064 4.676 4.740 0.000 0.000 0.190 137 N C 1.638 177.145 175.510 -0.006 0.000 1.030 137 N CA 2.051 55.089 53.050 -0.020 0.000 0.849 137 N CB -0.411 38.067 38.487 -0.014 0.000 1.012 137 N HN 0.406 nan 8.380 nan 0.000 0.423 138 A N 0.542 123.352 122.820 -0.017 0.000 1.892 138 A HA -0.088 4.232 4.320 0.000 0.000 0.218 138 A C 2.397 179.984 177.584 0.006 0.000 1.188 138 A CA 2.337 54.381 52.037 0.012 0.000 0.631 138 A CB -1.479 17.520 19.000 -0.002 0.000 0.822 138 A HN 0.480 nan 8.150 nan 0.000 0.447 139 A N -0.978 121.831 122.820 -0.020 0.000 1.892 139 A HA -0.241 4.080 4.320 0.000 0.000 0.218 139 A C 2.348 179.944 177.584 0.020 0.000 1.188 139 A CA 1.881 53.922 52.037 0.008 0.000 0.631 139 A CB -1.441 17.565 19.000 0.010 0.000 0.822 139 A HN 0.648 nan 8.150 nan 0.000 0.447 140 C N -0.986 118.325 119.300 0.019 0.000 2.413 140 C HA -0.093 4.367 4.460 0.000 0.000 0.277 140 C C 2.659 177.658 174.990 0.015 0.000 1.265 140 C CA 1.183 60.215 59.018 0.023 0.000 1.752 140 C CB -1.246 26.509 27.740 0.026 0.000 1.998 140 C HN 0.785 nan 8.230 nan 0.000 0.489 141 E N 0.671 120.878 120.200 0.012 0.000 2.038 141 E HA -0.206 4.145 4.350 0.000 0.000 0.195 141 E C 2.050 178.647 176.600 -0.004 0.000 1.000 141 E CA 1.262 57.664 56.400 0.003 0.000 0.803 141 E CB -0.197 29.506 29.700 0.006 0.000 0.750 141 E HN 0.609 nan 8.360 nan 0.000 0.448 142 L N 0.562 121.788 121.223 0.005 0.000 2.042 142 L HA -0.240 4.100 4.340 0.000 0.000 0.210 142 L C 2.676 179.546 176.870 -0.000 0.000 1.076 142 L CA 1.014 55.855 54.840 0.002 0.000 0.749 142 L CB -0.451 41.623 42.059 0.025 0.000 0.893 142 L HN 0.254 nan 8.230 nan 0.000 0.432 143 L N -0.551 120.677 121.223 0.008 0.000 2.093 143 L HA -0.097 4.243 4.340 0.000 0.000 0.208 143 L C 2.710 179.582 176.870 0.003 0.000 1.085 143 L CA 1.255 56.100 54.840 0.008 0.000 0.755 143 L CB -1.102 40.968 42.059 0.019 0.000 0.904 143 L HN 0.301 nan 8.230 nan 0.000 0.435 144 G N -0.172 108.630 108.800 0.002 0.000 2.442 144 G HA2 -0.251 3.710 3.960 0.000 0.000 0.219 144 G HA3 -0.251 3.710 3.960 0.000 0.000 0.219 144 G C 1.746 176.640 174.900 -0.010 0.000 1.141 144 G CA 0.474 45.574 45.100 -0.001 0.000 0.763 144 G HN 0.288 nan 8.290 nan 0.000 0.554 145 R N -0.408 120.081 120.500 -0.018 0.000 2.189 145 R HA 0.152 4.492 4.340 0.000 0.000 0.223 145 R C 1.945 178.231 176.300 -0.023 0.000 1.092 145 R CA 0.423 56.506 56.100 -0.029 0.000 0.989 145 R CB -0.209 30.063 30.300 -0.047 0.000 0.876 145 R HN 0.340 nan 8.270 nan 0.000 0.457 146 L N 0.639 121.852 121.223 -0.016 0.000 2.611 146 L HA 0.074 4.414 4.340 0.000 0.000 0.229 146 L C 0.087 176.953 176.870 -0.007 0.000 1.137 146 L CA 0.145 54.977 54.840 -0.013 0.000 0.901 146 L CB -0.136 41.914 42.059 -0.015 0.000 1.098 146 L HN 0.216 nan 8.230 nan 0.000 0.456 147 Q N -0.798 118.999 119.800 -0.005 0.000 2.481 147 Q HA -0.202 4.138 4.340 0.000 0.000 0.272 147 Q C 0.329 176.334 176.000 0.007 0.000 1.157 147 Q CA 0.420 56.223 55.803 0.000 0.000 0.935 147 Q CB -1.532 27.206 28.738 0.000 0.000 1.338 147 Q HN 0.570 nan 8.270 nan 0.000 0.494 148 A N 0.740 123.565 122.820 0.009 0.000 2.322 148 A HA 0.404 4.724 4.320 0.000 0.000 0.269 148 A C 0.333 177.926 177.584 0.016 0.000 1.094 148 A CA -0.354 51.693 52.037 0.018 0.000 0.807 148 A CB 0.585 19.597 19.000 0.021 0.000 1.047 148 A HN 0.188 nan 8.150 nan 0.000 0.487 149 E N 1.700 121.909 120.200 0.016 0.000 2.046 149 E HA 0.276 4.626 4.350 0.000 0.000 0.279 149 E C -0.904 175.698 176.600 0.003 0.000 0.989 149 E CA -0.341 56.064 56.400 0.008 0.000 0.798 149 E CB 1.239 30.941 29.700 0.002 0.000 1.086 149 E HN 0.303 nan 8.360 nan 0.000 0.399 150 V N 5.738 125.659 119.914 0.012 0.000 2.397 150 V HA 0.005 4.125 4.120 0.000 0.000 0.262 150 V C 1.744 177.843 176.094 0.008 0.000 1.047 150 V CA 0.126 62.435 62.300 0.015 0.000 1.003 150 V CB 0.000 31.843 31.823 0.034 0.000 1.037 150 V HN 0.658 nan 8.190 nan 0.000 0.480 151 L N 3.724 124.923 121.223 -0.040 0.000 2.072 151 L HA 0.076 4.417 4.340 0.000 0.000 0.205 151 L C 1.044 177.946 176.870 0.054 0.000 1.079 151 L CA 1.232 56.035 54.840 -0.062 0.000 0.752 151 L CB -0.073 41.760 42.059 -0.376 0.000 0.906 151 L HN 0.922 nan 8.230 nan 0.000 0.436 152 E N -2.460 117.779 120.200 0.064 0.000 2.398 152 E HA 0.219 4.569 4.350 0.000 0.000 0.280 152 E C -1.804 174.878 176.600 0.137 0.000 1.122 152 E CA -1.007 55.476 56.400 0.137 0.000 0.873 152 E CB 0.886 30.708 29.700 0.204 0.000 1.294 152 E HN -0.158 nan 8.360 nan 0.000 0.435 153 C N 1.569 120.987 119.300 0.197 0.000 2.355 153 C HA 0.793 5.253 4.460 0.000 0.000 0.332 153 C C 0.039 175.126 174.990 0.161 0.000 1.255 153 C CA -0.412 58.745 59.018 0.232 0.000 1.792 153 C CB 0.504 28.447 27.740 0.337 0.000 2.300 153 C HN 0.527 nan 8.230 nan 0.000 0.515 154 V N 2.032 122.012 119.914 0.109 0.000 2.823 154 V HA 0.998 5.118 4.120 0.000 0.000 0.312 154 V C -0.334 175.783 176.094 0.039 0.000 1.072 154 V CA -0.144 62.145 62.300 -0.019 0.000 0.937 154 V CB 1.866 33.738 31.823 0.082 0.000 1.013 154 V HN 1.014 nan 8.190 nan 0.000 0.430 155 S N 3.391 119.050 115.700 -0.069 0.000 2.627 155 S HA 0.680 5.150 4.470 0.000 0.000 0.283 155 S C 0.231 174.736 174.600 -0.159 0.000 1.127 155 S CA -0.762 57.419 58.200 -0.031 0.000 0.863 155 S CB 1.736 65.019 63.200 0.139 0.000 1.121 155 S HN 0.751 nan 8.310 nan 0.000 0.479 156 L N 0.957 122.045 121.223 -0.226 0.000 2.072 156 L HA 0.257 4.597 4.340 0.000 0.000 0.205 156 L C 0.382 177.152 176.870 -0.166 0.000 1.079 156 L CA 1.043 55.743 54.840 -0.233 0.000 0.752 156 L CB -0.348 41.524 42.059 -0.312 0.000 0.906 156 L HN 0.600 nan 8.230 nan 0.000 0.436 157 V N -0.787 119.067 119.914 -0.099 0.000 2.656 157 V HA 0.393 4.513 4.120 0.000 0.000 0.307 157 V C -0.474 175.626 176.094 0.009 0.000 1.051 157 V CA -0.924 61.354 62.300 -0.036 0.000 0.893 157 V CB 2.129 33.983 31.823 0.051 0.000 0.999 157 V HN 0.152 nan 8.190 nan 0.000 0.426 158 E N 3.915 124.111 120.200 -0.006 0.000 2.248 158 E HA 0.559 4.910 4.350 0.000 0.000 0.267 158 E C -1.640 174.967 176.600 0.012 0.000 0.877 158 E CA -0.758 55.661 56.400 0.031 0.000 0.759 158 E CB 1.938 31.700 29.700 0.103 0.000 1.182 158 E HN 0.666 nan 8.360 nan 0.000 0.418 159 L N 5.130 126.360 121.223 0.010 0.000 2.314 159 L HA 0.221 4.561 4.340 0.000 0.000 0.275 159 L C 1.524 178.389 176.870 -0.008 0.000 1.068 159 L CA -0.381 54.474 54.840 0.026 0.000 0.894 159 L CB 0.705 42.781 42.059 0.028 0.000 1.275 159 L HN 0.775 nan 8.230 nan 0.000 0.432 160 T N -3.049 111.500 114.554 -0.008 0.000 2.881 160 T HA -0.177 4.173 4.350 0.000 0.000 0.270 160 T C 1.878 176.566 174.700 -0.020 0.000 1.068 160 T CA 1.357 63.442 62.100 -0.024 0.000 1.131 160 T CB -0.126 68.727 68.868 -0.024 0.000 0.871 160 T HN 0.614 nan 8.240 nan 0.000 0.479 161 S N 1.579 117.276 115.700 -0.005 0.000 2.474 161 S HA 0.124 4.594 4.470 0.000 0.000 0.235 161 S C 1.865 176.457 174.600 -0.014 0.000 0.997 161 S CA 0.377 58.573 58.200 -0.005 0.000 0.949 161 S CB -0.821 62.383 63.200 0.006 0.000 0.766 161 S HN 0.577 nan 8.310 nan 0.000 0.517 162 L N 0.149 121.360 121.223 -0.020 0.000 2.558 162 L HA 0.280 4.620 4.340 0.000 0.000 0.225 162 L C 0.602 177.444 176.870 -0.045 0.000 1.128 162 L CA 0.046 54.868 54.840 -0.029 0.000 0.868 162 L CB -0.533 41.510 42.059 -0.027 0.000 1.006 162 L HN 0.224 nan 8.230 nan 0.000 0.454 163 K N -0.047 120.321 120.400 -0.054 0.000 3.071 163 K HA -0.210 4.110 4.320 0.000 0.000 0.265 163 K C 1.240 177.786 176.600 -0.091 0.000 1.060 163 K CA 0.209 56.458 56.287 -0.063 0.000 0.767 163 K CB -1.819 30.655 32.500 -0.043 0.000 1.241 163 K HN 0.527 nan 8.250 nan 0.000 0.486 164 G N 0.570 109.291 108.800 -0.132 0.000 2.448 164 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 164 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 164 G C 1.220 175.970 174.900 -0.250 0.000 1.135 164 G CA 0.745 45.740 45.100 -0.176 0.000 0.784 164 G HN 0.418 nan 8.290 nan 0.000 0.543 165 R N 0.628 120.952 120.500 -0.292 0.000 2.081 165 R HA -0.074 4.266 4.340 0.000 0.000 0.235 165 R C 2.302 178.532 176.300 -0.117 0.000 1.131 165 R CA 1.660 57.592 56.100 -0.279 0.000 0.960 165 R CB -0.255 29.941 30.300 -0.173 0.000 0.856 165 R HN 0.443 nan 8.270 nan 0.000 0.436 166 E N 0.244 120.395 120.200 -0.081 0.000 2.110 166 E HA -0.216 4.134 4.350 0.000 0.000 0.193 166 E C 1.936 178.513 176.600 -0.038 0.000 0.988 166 E CA 1.181 57.556 56.400 -0.041 0.000 0.804 166 E CB -0.019 29.662 29.700 -0.033 0.000 0.745 166 E HN 0.258 nan 8.360 nan 0.000 0.458 167 K N 0.719 121.085 120.400 -0.056 0.000 2.211 167 K HA -0.128 4.192 4.320 0.000 0.000 0.204 167 K C 1.787 178.366 176.600 -0.036 0.000 1.047 167 K CA 0.864 57.124 56.287 -0.045 0.000 0.935 167 K CB 0.096 32.562 32.500 -0.057 0.000 0.728 167 K HN 0.111 nan 8.250 nan 0.000 0.452 168 L N 0.172 121.367 121.223 -0.048 0.000 2.416 168 L HA 0.167 4.507 4.340 0.000 0.000 0.216 168 L C 0.847 177.727 176.870 0.016 0.000 1.098 168 L CA -0.303 54.527 54.840 -0.017 0.000 0.840 168 L CB -0.182 41.863 42.059 -0.023 0.000 0.981 168 L HN 0.072 nan 8.230 nan 0.000 0.462 169 A N 1.472 124.300 122.820 0.014 0.000 2.531 169 A HA 0.136 4.456 4.320 0.000 0.000 0.236 169 A C -1.085 176.513 177.584 0.023 0.000 1.062 169 A CA -0.692 51.362 52.037 0.029 0.000 0.760 169 A CB -0.364 18.650 19.000 0.023 0.000 0.995 169 A HN 0.114 nan 8.150 nan 0.000 0.501 170 P HA 0.045 nan 4.420 nan 0.000 0.242 170 P C -0.138 177.195 177.300 0.054 0.000 1.197 170 P CA 0.203 63.326 63.100 0.038 0.000 0.765 170 P CB -0.247 31.471 31.700 0.031 0.000 0.936 171 V N 3.203 123.153 119.914 0.060 0.000 2.479 171 V HA 0.123 4.243 4.120 0.000 0.000 0.281 171 V C -1.945 174.223 176.094 0.124 0.000 1.031 171 V CA -1.383 60.968 62.300 0.084 0.000 1.038 171 V CB 0.007 31.879 31.823 0.081 0.000 0.981 171 V HN 0.062 nan 8.190 nan 0.000 0.478 172 P HA 0.211 nan 4.420 nan 0.000 0.269 172 P C -0.955 176.497 177.300 0.254 0.000 1.215 172 P CA -0.013 63.190 63.100 0.172 0.000 0.780 172 P CB 0.331 32.123 31.700 0.152 0.000 0.898 173 F N 3.212 123.221 119.950 0.099 0.000 2.569 173 F HA 0.640 5.167 4.527 0.001 0.000 0.312 173 F C -1.917 173.961 175.800 0.130 0.000 1.109 173 F CA -1.216 56.841 58.000 0.095 0.000 0.919 173 F CB 1.182 40.203 39.000 0.034 0.000 1.211 173 F HN 0.178 nan 8.300 nan 0.000 0.446 174 F N 5.006 124.324 119.950 -1.054 0.000 2.529 174 F HA 0.709 5.236 4.527 -0.000 0.000 0.320 174 F C -1.142 173.927 175.800 -1.218 0.000 1.118 174 F CA -0.379 57.075 58.000 -0.911 0.000 0.915 174 F CB 1.775 40.364 39.000 -0.685 0.000 1.161 174 F HN 0.537 nan 8.300 nan 0.000 0.445 175 S N 6.058 120.832 115.700 -1.543 0.000 2.513 175 S HA 0.458 4.928 4.470 0.000 0.000 0.299 175 S C 0.067 173.856 174.600 -1.351 0.000 1.087 175 S CA -0.806 56.719 58.200 -1.125 0.000 1.012 175 S CB 1.921 64.866 63.200 -0.425 0.000 1.044 175 S HN 0.704 nan 8.310 nan 0.000 0.485 176 L N 1.251 122.002 121.223 -0.787 0.000 2.027 176 L HA 0.376 4.716 4.340 0.000 0.000 0.206 176 L C 0.224 176.879 176.870 -0.358 0.000 1.074 176 L CA 1.657 56.225 54.840 -0.453 0.000 0.745 176 L CB -0.965 40.985 42.059 -0.182 0.000 0.898 176 L HN 0.741 nan 8.230 nan 0.000 0.433 177 L N -1.355 119.669 121.223 -0.332 0.000 2.401 177 L HA 0.462 4.802 4.340 0.000 0.000 0.266 177 L C -0.897 175.705 176.870 -0.448 0.000 0.991 177 L CA -0.674 53.947 54.840 -0.364 0.000 0.818 177 L CB 1.990 43.869 42.059 -0.300 0.000 1.321 177 L HN -0.102 nan 8.230 nan 0.000 0.413 178 Q N 1.501 120.966 119.800 -0.559 0.000 2.353 178 Q HA 0.694 5.034 4.340 0.000 0.000 0.268 178 Q C -1.671 173.914 176.000 -0.691 0.000 1.045 178 Q CA -0.443 55.089 55.803 -0.452 0.000 0.811 178 Q CB 2.506 31.095 28.738 -0.248 0.000 1.305 178 Q HN 0.304 nan 8.270 nan 0.000 0.447 179 Y N -1.011 119.264 120.300 -0.043 0.000 2.665 179 Y HA 0.389 4.939 4.550 0.000 0.000 0.336 179 Y C 0.438 176.322 175.900 -0.026 0.000 1.085 179 Y CA -1.258 56.822 58.100 -0.033 0.000 1.096 179 Y CB 1.238 39.678 38.460 -0.033 0.000 1.301 179 Y HN 0.490 nan 8.280 nan 0.000 0.493 180 E N 0.000 120.289 120.200 0.149 0.000 2.725 180 E HA 0.000 4.350 4.350 0.000 0.000 0.291 180 E CA 0.000 56.446 56.400 0.076 0.000 0.976 180 E CB 0.000 29.734 29.700 0.057 0.000 0.812 180 E HN 0.000 nan 8.360 nan 0.000 0.440