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 1wwm_1_A DATA FIRST_RESID 11 DATA SEQUENCE EVPGLLEEIK ALPLRLDEER FRFWLQQDYP FVEALYRYQV GLLLEAPQAH DATA SEQUENCE RAPLVQALXA TVEELDWLLL QGASPSAPVH PVRAGYIALL EEXGRLPYAY DATA SEQUENCE RVVFFYFLNG LFLEAWAHHV PEEGPWAELS QHWFAPEFQA VLYDLEVLAR DATA SEQUENCE GLWEDLDPEV VRTYLRRILE AEKATWSLLL 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 11 E HA 0.000 nan 4.350 nan 0.000 0.291 11 E C 0.000 176.669 176.600 0.115 0.000 1.382 11 E CA 0.000 56.499 56.400 0.165 0.000 0.976 11 E CB 0.000 29.802 29.700 0.169 0.000 0.812 12 V N 4.469 124.443 119.914 0.100 0.000 2.716 12 V HA 0.532 4.652 4.120 0.001 0.000 0.284 12 V C -2.715 173.422 176.094 0.071 0.000 1.129 12 V CA -0.848 61.497 62.300 0.076 0.000 0.926 12 V CB 2.060 33.928 31.823 0.074 0.000 1.051 12 V HN 0.593 nan 8.190 nan 0.000 0.458 13 P HA 0.399 nan 4.420 nan 0.000 0.382 13 P C -0.202 177.120 177.300 0.036 0.000 1.950 13 P CA 0.482 63.612 63.100 0.049 0.000 1.481 13 P CB 1.133 32.859 31.700 0.042 0.000 2.307 14 G N 1.911 110.730 108.800 0.031 0.000 2.397 14 G HA2 -0.306 3.655 3.960 0.001 0.000 0.211 14 G HA3 -0.306 3.655 3.960 0.001 0.000 0.211 14 G C 0.874 175.785 174.900 0.019 0.000 1.077 14 G CA 0.188 45.299 45.100 0.018 0.000 0.649 14 G HN 0.491 nan 8.290 nan 0.000 0.511 15 L N 0.839 122.083 121.223 0.036 0.000 2.046 15 L HA 0.035 4.376 4.340 0.001 0.000 0.208 15 L C 2.848 179.741 176.870 0.038 0.000 1.077 15 L CA 1.681 56.546 54.840 0.042 0.000 0.747 15 L CB -0.347 41.751 42.059 0.064 0.000 0.896 15 L HN 0.450 nan 8.230 nan 0.000 0.432 16 L N 0.183 121.434 121.223 0.047 0.000 2.012 16 L HA -0.260 4.080 4.340 0.001 0.000 0.210 16 L C 2.304 179.147 176.870 -0.046 0.000 1.073 16 L CA 2.104 56.956 54.840 0.019 0.000 0.748 16 L CB -0.642 41.438 42.059 0.035 0.000 0.891 16 L HN 0.303 nan 8.230 nan 0.000 0.431 17 E N 0.200 120.372 120.200 -0.047 0.000 2.204 17 E HA -0.193 4.157 4.350 0.001 0.000 0.195 17 E C 2.009 178.564 176.600 -0.075 0.000 0.990 17 E CA 1.183 57.532 56.400 -0.086 0.000 0.821 17 E CB -0.069 29.598 29.700 -0.055 0.000 0.750 17 E HN 0.584 nan 8.360 nan 0.000 0.477 18 E N 0.446 120.626 120.200 -0.034 0.000 2.007 18 E HA -0.192 4.159 4.350 0.001 0.000 0.194 18 E C 2.195 178.787 176.600 -0.014 0.000 0.999 18 E CA 1.268 57.659 56.400 -0.015 0.000 0.811 18 E CB -0.298 29.405 29.700 0.006 0.000 0.762 18 E HN 0.276 nan 8.360 nan 0.000 0.450 19 I N 1.323 121.888 120.570 -0.008 0.000 2.181 19 I HA -0.361 3.809 4.170 0.001 0.000 0.247 19 I C 2.445 178.590 176.117 0.047 0.000 1.081 19 I CA 1.502 62.801 61.300 -0.002 0.000 1.340 19 I CB -0.388 37.599 38.000 -0.022 0.000 1.036 19 I HN 0.064 nan 8.210 nan 0.000 0.417 20 K N 0.799 121.134 120.400 -0.108 0.000 2.057 20 K HA -0.109 4.212 4.320 0.001 0.000 0.207 20 K C 2.213 178.779 176.600 -0.057 0.000 1.049 20 K CA 1.469 57.538 56.287 -0.363 0.000 0.931 20 K CB -0.279 31.734 32.500 -0.811 0.000 0.714 20 K HN 0.353 nan 8.250 nan 0.000 0.440 21 A N 1.034 123.836 122.820 -0.030 0.000 2.172 21 A HA -0.050 4.270 4.320 0.001 0.000 0.216 21 A C 0.520 178.147 177.584 0.071 0.000 1.154 21 A CA 0.374 52.427 52.037 0.026 0.000 0.701 21 A CB -0.365 18.631 19.000 -0.007 0.000 0.789 21 A HN 0.108 nan 8.150 nan 0.000 0.465 22 L N 0.236 121.519 121.223 0.100 0.000 2.615 22 L HA 0.046 4.386 4.340 0.001 0.000 0.284 22 L C -2.042 174.857 176.870 0.048 0.000 1.237 22 L CA -0.400 54.471 54.840 0.050 0.000 0.905 22 L CB -0.019 42.019 42.059 -0.036 0.000 1.149 22 L HN 0.049 nan 8.230 nan 0.000 0.499 23 P HA 0.170 nan 4.420 nan 0.000 0.220 23 P C -0.651 176.624 177.300 -0.041 0.000 1.806 23 P CA -0.413 62.679 63.100 -0.013 0.000 0.976 23 P CB 0.167 31.859 31.700 -0.013 0.000 1.952 24 L N 1.647 122.832 121.223 -0.063 0.000 2.436 24 L HA 0.278 4.618 4.340 0.001 0.000 0.265 24 L C 0.987 177.792 176.870 -0.108 0.000 1.168 24 L CA 0.422 55.194 54.840 -0.113 0.000 0.815 24 L CB 0.412 42.342 42.059 -0.215 0.000 1.109 24 L HN 0.036 nan 8.230 nan 0.000 0.462 25 R N 3.709 124.146 120.500 -0.105 0.000 2.352 25 R HA 0.350 4.690 4.340 0.001 0.000 0.304 25 R C -1.248 174.993 176.300 -0.099 0.000 1.104 25 R CA -0.744 55.301 56.100 -0.091 0.000 0.991 25 R CB 0.753 31.025 30.300 -0.047 0.000 1.140 25 R HN 0.407 nan 8.270 nan 0.000 0.540 26 L N 2.678 123.789 121.223 -0.187 0.000 2.369 26 L HA 0.177 4.518 4.340 0.001 0.000 0.279 26 L C 0.117 177.020 176.870 0.055 0.000 1.108 26 L CA 0.452 55.152 54.840 -0.233 0.000 0.852 26 L CB 0.607 42.224 42.059 -0.737 0.000 1.169 26 L HN 0.479 nan 8.230 nan 0.000 0.452 27 D N 1.388 121.955 120.400 0.278 0.000 2.649 27 D HA 0.167 4.808 4.640 0.001 0.000 0.249 27 D C 0.756 177.313 176.300 0.429 0.000 1.112 27 D CA -0.488 53.717 54.000 0.341 0.000 0.850 27 D CB 1.752 42.657 40.800 0.175 0.000 1.399 27 D HN 0.554 nan 8.370 nan 0.000 0.503 28 E N 2.411 122.736 120.200 0.208 0.000 2.045 28 E HA -0.321 4.029 4.350 0.001 0.000 0.212 28 E C 1.335 177.998 176.600 0.104 0.000 1.039 28 E CA 2.069 58.421 56.400 -0.080 0.000 0.860 28 E CB 0.058 29.633 29.700 -0.208 0.000 0.776 28 E HN 0.666 nan 8.360 nan 0.000 0.467 29 E N -0.104 120.148 120.200 0.086 0.000 2.058 29 E HA -0.284 4.066 4.350 0.001 0.000 0.194 29 E C 2.363 179.067 176.600 0.173 0.000 0.997 29 E CA 1.281 57.741 56.400 0.101 0.000 0.801 29 E CB -0.149 29.584 29.700 0.055 0.000 0.746 29 E HN 0.151 nan 8.360 nan 0.000 0.450 30 R N -0.799 119.814 120.500 0.188 0.000 2.120 30 R HA -0.155 4.186 4.340 0.001 0.000 0.234 30 R C 2.213 178.712 176.300 0.331 0.000 1.123 30 R CA 1.428 57.661 56.100 0.223 0.000 0.975 30 R CB -0.261 30.138 30.300 0.166 0.000 0.866 30 R HN 0.211 nan 8.270 nan 0.000 0.446 31 F N 0.681 120.747 119.950 0.193 0.000 2.187 31 F HA 0.004 4.531 4.527 0.001 0.000 0.295 31 F C 2.184 178.136 175.800 0.252 0.000 1.091 31 F CA 1.076 59.200 58.000 0.206 0.000 1.308 31 F CB -0.098 39.074 39.000 0.286 0.000 1.030 31 F HN -0.163 nan 8.300 nan 0.000 0.487 32 R N -0.230 120.403 120.500 0.220 0.000 2.096 32 R HA -0.215 4.125 4.340 0.001 0.000 0.240 32 R C 2.154 178.495 176.300 0.069 0.000 1.139 32 R CA 2.023 58.190 56.100 0.111 0.000 0.952 32 R CB -1.394 28.980 30.300 0.124 0.000 0.854 32 R HN 0.395 nan 8.270 nan 0.000 0.436 33 F N -0.890 119.070 119.950 0.017 0.000 2.126 33 F HA -0.216 4.312 4.527 0.001 0.000 0.299 33 F C 1.909 177.702 175.800 -0.012 0.000 1.096 33 F CA 1.627 59.630 58.000 0.006 0.000 1.255 33 F CB -0.633 38.389 39.000 0.037 0.000 0.997 33 F HN 0.162 nan 8.300 nan 0.000 0.479 34 W N 0.990 122.128 121.300 -0.271 0.000 2.342 34 W HA -0.192 4.468 4.660 0.000 0.000 0.297 34 W C 1.901 178.074 176.519 -0.576 0.000 1.213 34 W CA 2.089 59.158 57.345 -0.459 0.000 1.251 34 W CB -0.365 28.844 29.460 -0.418 0.000 1.136 34 W HN 0.083 nan 8.180 nan 0.000 0.526 35 L N -0.091 120.850 121.223 -0.469 0.000 2.109 35 L HA -0.197 4.143 4.340 0.001 0.000 0.207 35 L C 2.574 179.272 176.870 -0.287 0.000 1.086 35 L CA 1.356 55.876 54.840 -0.533 0.000 0.760 35 L CB -0.800 41.075 42.059 -0.308 0.000 0.910 35 L HN 0.038 nan 8.230 nan 0.000 0.437 36 Q N -0.680 118.969 119.800 -0.252 0.000 2.167 36 Q HA -0.228 4.113 4.340 0.001 0.000 0.202 36 Q C 1.728 177.575 176.000 -0.255 0.000 0.970 36 Q CA 0.917 56.610 55.803 -0.183 0.000 0.855 36 Q CB -0.082 28.547 28.738 -0.182 0.000 0.911 36 Q HN 0.294 nan 8.270 nan 0.000 0.438 37 Q N 0.482 119.989 119.800 -0.489 0.000 2.466 37 Q HA -0.064 4.276 4.340 0.001 0.000 0.210 37 Q C 0.244 176.031 176.000 -0.355 0.000 0.961 37 Q CA 0.665 56.191 55.803 -0.461 0.000 0.953 37 Q CB 0.214 28.546 28.738 -0.676 0.000 1.011 37 Q HN 0.210 nan 8.270 nan 0.000 0.516 38 D N -2.082 118.132 120.400 -0.311 0.000 2.369 38 D HA -0.044 4.596 4.640 0.001 0.000 0.211 38 D C 0.904 177.203 176.300 -0.001 0.000 1.077 38 D CA -0.058 53.804 54.000 -0.230 0.000 0.842 38 D CB 0.128 40.741 40.800 -0.312 0.000 0.947 38 D HN 0.260 nan 8.370 nan 0.000 0.509 39 Y N 1.501 121.756 120.300 -0.075 0.000 2.081 39 Y HA -0.115 4.435 4.550 0.001 0.000 0.280 39 Y C -1.001 174.882 175.900 -0.029 0.000 1.163 39 Y CA 1.953 60.029 58.100 -0.040 0.000 1.135 39 Y CB -1.082 37.343 38.460 -0.059 0.000 0.970 39 Y HN 0.099 nan 8.280 nan 0.000 0.498 40 P HA -0.231 nan 4.420 nan 0.000 0.216 40 P C 1.408 178.717 177.300 0.015 0.000 1.150 40 P CA 1.827 64.982 63.100 0.092 0.000 0.843 40 P CB -0.327 31.435 31.700 0.104 0.000 0.787 41 F N -0.195 119.672 119.950 -0.138 0.000 2.206 41 F HA -0.115 4.412 4.527 0.001 0.000 0.298 41 F C 1.900 177.587 175.800 -0.188 0.000 1.090 41 F CA 1.101 58.989 58.000 -0.185 0.000 1.323 41 F CB -0.672 38.155 39.000 -0.287 0.000 1.028 41 F HN -0.319 nan 8.300 nan 0.000 0.492 42 V N 0.279 120.060 119.914 -0.221 0.000 2.515 42 V HA -0.227 3.893 4.120 0.001 0.000 0.250 42 V C 2.274 178.176 176.094 -0.320 0.000 1.058 42 V CA 1.911 64.025 62.300 -0.309 0.000 1.064 42 V CB -0.655 30.987 31.823 -0.300 0.000 0.675 42 V HN 0.317 nan 8.190 nan 0.000 0.461 43 E N 1.342 121.326 120.200 -0.360 0.000 2.106 43 E HA -0.135 4.215 4.350 0.001 0.000 0.192 43 E C 2.104 178.649 176.600 -0.091 0.000 0.984 43 E CA 1.647 57.896 56.400 -0.251 0.000 0.806 43 E CB -0.448 29.108 29.700 -0.240 0.000 0.750 43 E HN 0.474 nan 8.360 nan 0.000 0.458 44 A N 0.796 123.518 122.820 -0.163 0.000 1.930 44 A HA -0.093 4.227 4.320 0.001 0.000 0.217 44 A C 2.370 179.861 177.584 -0.155 0.000 1.175 44 A CA 1.251 53.206 52.037 -0.136 0.000 0.627 44 A CB -0.762 18.126 19.000 -0.187 0.000 0.815 44 A HN 0.388 nan 8.150 nan 0.000 0.443 45 L N -1.820 119.214 121.223 -0.315 0.000 2.046 45 L HA -0.205 4.135 4.340 0.001 0.000 0.208 45 L C 2.572 179.447 176.870 0.009 0.000 1.077 45 L CA 2.041 56.761 54.840 -0.200 0.000 0.747 45 L CB -0.452 41.468 42.059 -0.232 0.000 0.896 45 L HN 0.674 nan 8.230 nan 0.000 0.432 46 Y N 0.590 120.824 120.300 -0.110 0.000 2.181 46 Y HA -0.276 4.274 4.550 0.001 0.000 0.288 46 Y C 2.746 178.620 175.900 -0.044 0.000 1.146 46 Y CA 1.400 59.457 58.100 -0.071 0.000 1.164 46 Y CB -0.088 38.312 38.460 -0.100 0.000 0.982 46 Y HN 0.031 nan 8.280 nan 0.000 0.515 47 R N -0.346 120.178 120.500 0.041 0.000 2.082 47 R HA -0.268 4.073 4.340 0.001 0.000 0.234 47 R C 2.170 178.415 176.300 -0.093 0.000 1.136 47 R CA 2.074 58.151 56.100 -0.039 0.000 0.935 47 R CB -1.847 28.486 30.300 0.056 0.000 0.842 47 R HN 0.538 nan 8.270 nan 0.000 0.430 48 Y N 2.226 122.437 120.300 -0.148 0.000 2.139 48 Y HA -0.311 4.239 4.550 0.001 0.000 0.282 48 Y C 2.516 178.268 175.900 -0.246 0.000 1.179 48 Y CA 2.015 60.029 58.100 -0.144 0.000 1.161 48 Y CB -0.255 38.151 38.460 -0.090 0.000 0.970 48 Y HN 0.187 nan 8.280 nan 0.000 0.511 49 Q N -1.045 118.682 119.800 -0.122 0.000 2.124 49 Q HA -0.164 4.176 4.340 0.001 0.000 0.202 49 Q C 2.271 178.058 176.000 -0.356 0.000 0.977 49 Q CA 1.827 57.419 55.803 -0.351 0.000 0.850 49 Q CB -0.178 28.354 28.738 -0.343 0.000 0.901 49 Q HN 0.407 nan 8.270 nan 0.000 0.429 50 V N -0.022 119.651 119.914 -0.403 0.000 2.515 50 V HA -0.172 3.948 4.120 0.001 0.000 0.250 50 V C 2.109 178.060 176.094 -0.239 0.000 1.058 50 V CA 1.824 63.911 62.300 -0.355 0.000 1.064 50 V CB -0.860 30.709 31.823 -0.423 0.000 0.675 50 V HN 0.511 nan 8.190 nan 0.000 0.461 51 G N -0.408 108.245 108.800 -0.245 0.000 2.443 51 G HA2 -0.144 3.816 3.960 0.001 0.000 0.219 51 G HA3 -0.144 3.816 3.960 0.001 0.000 0.219 51 G C 1.545 176.337 174.900 -0.181 0.000 1.131 51 G CA 0.561 45.537 45.100 -0.207 0.000 0.775 51 G HN 0.474 nan 8.290 nan 0.000 0.547 52 L N -0.224 120.866 121.223 -0.222 0.000 2.044 52 L HA 0.082 4.423 4.340 0.001 0.000 0.205 52 L C 2.745 179.620 176.870 0.007 0.000 1.075 52 L CA 0.486 55.282 54.840 -0.073 0.000 0.747 52 L CB -0.362 41.590 42.059 -0.178 0.000 0.903 52 L HN 0.137 nan 8.230 nan 0.000 0.435 53 L N -0.621 120.553 121.223 -0.083 0.000 2.265 53 L HA -0.214 4.126 4.340 0.001 0.000 0.215 53 L C 2.388 179.206 176.870 -0.086 0.000 1.117 53 L CA 0.495 55.292 54.840 -0.071 0.000 0.782 53 L CB -0.296 41.706 42.059 -0.095 0.000 0.914 53 L HN 0.257 nan 8.230 nan 0.000 0.441 54 L N -0.715 120.450 121.223 -0.097 0.000 2.240 54 L HA -0.103 4.237 4.340 0.001 0.000 0.211 54 L C 2.167 178.962 176.870 -0.126 0.000 1.106 54 L CA 1.707 56.488 54.840 -0.099 0.000 0.793 54 L CB -0.190 41.813 42.059 -0.093 0.000 0.927 54 L HN 0.202 nan 8.230 nan 0.000 0.446 55 E N -1.025 119.084 120.200 -0.152 0.000 2.413 55 E HA 0.267 4.617 4.350 0.001 0.000 0.203 55 E C 0.749 177.011 176.600 -0.565 0.000 0.957 55 E CA 0.295 56.516 56.400 -0.298 0.000 0.950 55 E CB 0.315 29.869 29.700 -0.243 0.000 0.957 55 E HN 0.379 nan 8.360 nan 0.000 0.497 56 A N 3.585 126.174 122.820 -0.385 0.000 2.566 56 A HA 0.088 4.408 4.320 0.001 0.000 0.245 56 A C -2.288 175.096 177.584 -0.332 0.000 1.056 56 A CA -0.660 51.172 52.037 -0.341 0.000 0.757 56 A CB -0.313 18.704 19.000 0.028 0.000 0.979 56 A HN -0.086 nan 8.150 nan 0.000 0.508 57 P HA 0.136 nan 4.420 nan 0.000 0.273 57 P C 0.841 178.030 177.300 -0.185 0.000 1.250 57 P CA -0.381 62.507 63.100 -0.355 0.000 0.793 57 P CB 0.549 31.935 31.700 -0.524 0.000 1.011 58 Q N 1.995 121.722 119.800 -0.122 0.000 2.030 58 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 58 Q C 1.897 177.901 176.000 0.008 0.000 0.986 58 Q CA 2.602 58.375 55.803 -0.049 0.000 0.843 58 Q CB -1.582 27.130 28.738 -0.043 0.000 0.904 58 Q HN 0.463 nan 8.270 nan 0.000 0.420 59 A N -0.610 122.222 122.820 0.021 0.000 2.139 59 A HA -0.214 4.106 4.320 0.001 0.000 0.221 59 A C 1.399 179.150 177.584 0.278 0.000 1.159 59 A CA 1.885 53.996 52.037 0.123 0.000 0.662 59 A CB -0.729 18.352 19.000 0.134 0.000 0.796 59 A HN 0.581 nan 8.150 nan 0.000 0.463 60 H N -1.172 117.905 119.070 0.012 0.000 2.553 60 H HA 0.166 4.722 4.556 0.001 0.000 0.276 60 H C 2.108 177.458 175.328 0.037 0.000 0.979 60 H CA 0.673 56.747 56.048 0.043 0.000 1.268 60 H CB -0.144 29.684 29.762 0.111 0.000 1.450 60 H HN 0.510 nan 8.280 nan 0.000 0.527 61 R N 0.814 121.398 120.500 0.140 0.000 2.112 61 R HA -0.185 4.155 4.340 0.001 0.000 0.242 61 R C 2.391 178.726 176.300 0.058 0.000 1.137 61 R CA 1.517 57.661 56.100 0.073 0.000 0.944 61 R CB -0.496 29.821 30.300 0.028 0.000 0.857 61 R HN 0.280 nan 8.270 nan 0.000 0.435 62 A N 1.484 124.335 122.820 0.053 0.000 1.896 62 A HA -0.192 4.128 4.320 0.001 0.000 0.220 62 A C -0.267 177.345 177.584 0.047 0.000 1.206 62 A CA 1.868 53.930 52.037 0.043 0.000 0.647 62 A CB -1.656 17.367 19.000 0.039 0.000 0.828 62 A HN 0.244 nan 8.150 nan 0.000 0.455 63 P HA -0.083 nan 4.420 nan 0.000 0.216 63 P C 1.339 178.684 177.300 0.075 0.000 1.153 63 P CA 0.634 63.766 63.100 0.053 0.000 0.844 63 P CB -0.052 31.668 31.700 0.033 0.000 0.787 64 L N -0.767 120.501 121.223 0.074 0.000 2.083 64 L HA -0.099 4.242 4.340 0.001 0.000 0.209 64 L C 2.412 179.302 176.870 0.033 0.000 1.083 64 L CA 1.533 56.407 54.840 0.057 0.000 0.752 64 L CB -1.758 40.320 42.059 0.033 0.000 0.899 64 L HN -0.091 nan 8.230 nan 0.000 0.433 65 V N -1.098 118.836 119.914 0.033 0.000 2.548 65 V HA -0.201 3.920 4.120 0.001 0.000 0.249 65 V C 2.467 178.590 176.094 0.048 0.000 1.055 65 V CA 1.169 63.486 62.300 0.028 0.000 1.065 65 V CB -0.060 31.777 31.823 0.024 0.000 0.681 65 V HN 0.490 nan 8.190 nan 0.000 0.462 66 Q N 0.094 119.929 119.800 0.058 0.000 2.123 66 Q HA -0.016 4.325 4.340 0.001 0.000 0.199 66 Q C 2.366 178.419 176.000 0.088 0.000 0.966 66 Q CA 1.757 57.599 55.803 0.066 0.000 0.845 66 Q CB -0.575 28.200 28.738 0.060 0.000 0.907 66 Q HN 0.730 nan 8.270 nan 0.000 0.439 67 A N 0.856 123.744 122.820 0.113 0.000 1.898 67 A HA -0.094 4.226 4.320 0.001 0.000 0.216 67 A C 1.450 179.134 177.584 0.166 0.000 1.181 67 A CA 0.300 52.443 52.037 0.176 0.000 0.620 67 A CB -0.642 18.551 19.000 0.322 0.000 0.819 67 A HN 0.306 nan 8.150 nan 0.000 0.442 71 T N 0.650 115.248 114.554 0.072 0.000 2.720 71 T HA -0.119 4.231 4.350 0.001 0.000 0.268 71 T C 1.872 176.558 174.700 -0.023 0.000 1.037 71 T CA 2.067 64.185 62.100 0.030 0.000 1.144 71 T CB -0.376 68.576 68.868 0.139 0.000 0.864 71 T HN 0.232 nan 8.240 nan 0.000 0.444 72 V N 1.656 121.590 119.914 0.032 0.000 2.255 72 V HA -0.201 3.919 4.120 0.001 0.000 0.247 72 V C 2.489 178.560 176.094 -0.039 0.000 1.051 72 V CA 1.796 64.076 62.300 -0.033 0.000 1.018 72 V CB -0.619 31.216 31.823 0.020 0.000 0.641 72 V HN 0.570 nan 8.190 nan 0.000 0.445 73 E N -0.432 119.762 120.200 -0.009 0.000 2.160 73 E HA -0.270 4.080 4.350 0.001 0.000 0.195 73 E C 2.245 178.842 176.600 -0.004 0.000 0.991 73 E CA 1.236 57.640 56.400 0.007 0.000 0.810 73 E CB -0.135 29.574 29.700 0.016 0.000 0.742 73 E HN 0.652 nan 8.360 nan 0.000 0.466 74 E N 0.716 120.858 120.200 -0.097 0.000 2.106 74 E HA -0.157 4.193 4.350 0.001 0.000 0.192 74 E C 2.100 178.661 176.600 -0.065 0.000 0.984 74 E CA 0.539 56.822 56.400 -0.196 0.000 0.806 74 E CB 0.072 29.497 29.700 -0.459 0.000 0.750 74 E HN 0.242 nan 8.360 nan 0.000 0.458 75 L N 0.821 121.989 121.223 -0.091 0.000 2.141 75 L HA -0.171 4.169 4.340 0.001 0.000 0.209 75 L C 2.093 179.039 176.870 0.126 0.000 1.094 75 L CA 0.767 55.582 54.840 -0.042 0.000 0.763 75 L CB -0.186 41.759 42.059 -0.189 0.000 0.908 75 L HN 0.056 nan 8.230 nan 0.000 0.437 76 D N -0.891 119.556 120.400 0.080 0.000 2.117 76 D HA -0.213 4.428 4.640 0.001 0.000 0.198 76 D C 1.748 178.115 176.300 0.111 0.000 0.982 76 D CA 0.870 54.919 54.000 0.083 0.000 0.828 76 D CB -0.112 40.725 40.800 0.063 0.000 0.967 76 D HN 0.343 nan 8.370 nan 0.000 0.464 77 W N 1.240 122.526 121.300 -0.024 0.000 2.363 77 W HA -0.087 4.573 4.660 0.001 0.000 0.296 77 W C 1.948 178.479 176.519 0.021 0.000 1.212 77 W CA 1.078 58.412 57.345 -0.018 0.000 1.260 77 W CB -0.334 29.107 29.460 -0.031 0.000 1.131 77 W HN -0.067 nan 8.180 nan 0.000 0.530 78 L N -0.144 121.190 121.223 0.185 0.000 2.093 78 L HA -0.210 4.131 4.340 0.001 0.000 0.208 78 L C 2.446 179.271 176.870 -0.075 0.000 1.085 78 L CA 0.971 55.857 54.840 0.078 0.000 0.755 78 L CB -0.844 41.420 42.059 0.342 0.000 0.904 78 L HN 0.042 nan 8.230 nan 0.000 0.435 79 L N -0.502 120.708 121.223 -0.022 0.000 1.994 79 L HA -0.229 4.111 4.340 0.001 0.000 0.208 79 L C 2.333 179.106 176.870 -0.163 0.000 1.071 79 L CA 1.274 56.047 54.840 -0.112 0.000 0.745 79 L CB -0.455 41.571 42.059 -0.056 0.000 0.892 79 L HN 0.238 nan 8.230 nan 0.000 0.431 80 L N -0.754 120.362 121.223 -0.179 0.000 2.456 80 L HA -0.158 4.182 4.340 0.001 0.000 0.224 80 L C 1.616 178.300 176.870 -0.311 0.000 1.148 80 L CA 0.419 55.132 54.840 -0.213 0.000 0.825 80 L CB -0.350 41.591 42.059 -0.197 0.000 0.937 80 L HN 0.289 nan 8.230 nan 0.000 0.450 81 Q N -0.047 119.506 119.800 -0.411 0.000 2.201 81 Q HA 0.214 4.554 4.340 0.001 0.000 0.217 81 Q C 1.100 176.936 176.000 -0.274 0.000 0.860 81 Q CA 0.513 56.037 55.803 -0.466 0.000 0.984 81 Q CB 0.431 28.662 28.738 -0.846 0.000 1.095 81 Q HN 0.362 nan 8.270 nan 0.000 0.477 82 G N -1.099 107.579 108.800 -0.204 0.000 2.217 82 G HA2 -0.295 3.666 3.960 0.001 0.000 0.246 82 G HA3 -0.295 3.666 3.960 0.001 0.000 0.246 82 G C 0.431 175.243 174.900 -0.147 0.000 0.990 82 G CA 0.015 45.027 45.100 -0.146 0.000 0.627 82 G HN 0.699 nan 8.290 nan 0.000 0.522 83 A N 0.070 122.783 122.820 -0.178 0.000 2.475 83 A HA 0.633 4.954 4.320 0.001 0.000 0.239 83 A C 0.918 178.311 177.584 -0.318 0.000 1.087 83 A CA 1.377 53.280 52.037 -0.223 0.000 0.779 83 A CB 0.269 19.148 19.000 -0.202 0.000 1.036 83 A HN 2.083 nan 8.150 nan 0.000 0.506 84 S N 0.877 116.365 115.700 -0.354 0.000 2.776 84 S HA 0.547 5.017 4.470 0.001 0.000 0.284 84 S C -2.366 172.003 174.600 -0.385 0.000 1.160 84 S CA -0.993 57.007 58.200 -0.335 0.000 1.051 84 S CB 1.740 64.835 63.200 -0.176 0.000 1.037 84 S HN 0.373 nan 8.310 nan 0.000 0.485 85 P HA -0.108 nan 4.420 nan 0.000 0.216 85 P C 0.498 177.760 177.300 -0.065 0.000 1.157 85 P CA 1.299 64.244 63.100 -0.258 0.000 0.880 85 P CB -0.038 31.581 31.700 -0.135 0.000 0.791 86 S N -0.704 114.949 115.700 -0.077 0.000 2.409 86 S HA 0.682 5.152 4.470 0.001 0.000 0.308 86 S C -0.195 174.382 174.600 -0.037 0.000 1.080 86 S CA -0.385 57.795 58.200 -0.034 0.000 1.081 86 S CB 0.038 63.219 63.200 -0.031 0.000 1.009 86 S HN 0.240 nan 8.310 nan 0.000 0.502 87 A N 3.711 126.521 122.820 -0.017 0.000 2.583 87 A HA 0.703 5.024 4.320 0.001 0.000 0.298 87 A C -2.943 174.646 177.584 0.008 0.000 1.055 87 A CA -1.353 50.678 52.037 -0.010 0.000 0.714 87 A CB 0.236 19.221 19.000 -0.026 0.000 1.277 87 A HN 0.652 nan 8.150 nan 0.000 0.406 88 P HA 0.279 nan 4.420 nan 0.000 0.264 88 P C -0.423 176.894 177.300 0.029 0.000 1.183 88 P CA 0.252 63.363 63.100 0.018 0.000 0.763 88 P CB 0.457 32.165 31.700 0.013 0.000 0.807 89 V N 4.025 123.961 119.914 0.037 0.000 2.394 89 V HA 0.106 4.226 4.120 0.001 0.000 0.282 89 V C 0.956 177.099 176.094 0.080 0.000 1.031 89 V CA -0.807 61.528 62.300 0.059 0.000 0.881 89 V CB 0.544 32.408 31.823 0.069 0.000 0.982 89 V HN 0.674 nan 8.190 nan 0.000 0.451 90 H N 8.769 127.847 119.070 0.014 0.000 3.034 90 H HA 0.042 4.599 4.556 0.001 0.000 0.324 90 H C -1.382 173.966 175.328 0.035 0.000 1.015 90 H CA -1.227 54.838 56.048 0.027 0.000 1.429 90 H CB 1.672 31.447 29.762 0.021 0.000 1.429 90 H HN 0.408 nan 8.280 nan 0.000 0.585 91 P HA -0.199 nan 4.420 nan 0.000 0.217 91 P C 1.636 179.084 177.300 0.247 0.000 1.148 91 P CA 0.918 64.111 63.100 0.155 0.000 0.834 91 P CB 0.315 32.050 31.700 0.058 0.000 0.783 92 V N 0.701 120.873 119.914 0.431 0.000 2.307 92 V HA -0.187 3.934 4.120 0.001 0.000 0.245 92 V C 2.813 178.985 176.094 0.130 0.000 1.045 92 V CA 1.918 64.323 62.300 0.174 0.000 1.024 92 V CB -1.063 30.745 31.823 -0.025 0.000 0.651 92 V HN 0.083 nan 8.190 nan 0.000 0.449 93 R N 0.043 120.615 120.500 0.119 0.000 2.148 93 R HA 0.016 4.357 4.340 0.001 0.000 0.223 93 R C 2.354 178.756 176.300 0.170 0.000 1.088 93 R CA 1.156 57.312 56.100 0.093 0.000 0.985 93 R CB -0.458 29.843 30.300 0.002 0.000 0.880 93 R HN 0.528 nan 8.270 nan 0.000 0.451 94 A N 0.759 123.676 122.820 0.162 0.000 1.930 94 A HA -0.037 4.283 4.320 0.001 0.000 0.217 94 A C 2.331 180.017 177.584 0.169 0.000 1.175 94 A CA 1.561 53.688 52.037 0.151 0.000 0.627 94 A CB -0.870 18.199 19.000 0.115 0.000 0.815 94 A HN 0.430 nan 8.150 nan 0.000 0.443 95 G N -2.270 106.628 108.800 0.164 0.000 2.443 95 G HA2 -0.202 3.758 3.960 0.001 0.000 0.219 95 G HA3 -0.202 3.758 3.960 0.001 0.000 0.219 95 G C 1.524 176.557 174.900 0.222 0.000 1.131 95 G CA 0.997 46.187 45.100 0.151 0.000 0.775 95 G HN 0.626 nan 8.290 nan 0.000 0.547 96 Y N 0.552 120.915 120.300 0.105 0.000 2.263 96 Y HA 0.016 4.566 4.550 0.001 0.000 0.292 96 Y C 2.643 178.716 175.900 0.287 0.000 1.130 96 Y CA 0.364 58.552 58.100 0.148 0.000 1.179 96 Y CB 0.106 38.568 38.460 0.002 0.000 0.998 96 Y HN 0.114 nan 8.280 nan 0.000 0.532 97 I N 0.018 120.851 120.570 0.438 0.000 2.226 97 I HA -0.318 3.852 4.170 0.001 0.000 0.245 97 I C 2.638 178.889 176.117 0.222 0.000 1.100 97 I CA 1.112 62.592 61.300 0.300 0.000 1.374 97 I CB -0.557 37.568 38.000 0.207 0.000 1.057 97 I HN 0.231 nan 8.210 nan 0.000 0.413 98 A N 0.705 123.650 122.820 0.208 0.000 1.969 98 A HA -0.146 4.174 4.320 0.001 0.000 0.218 98 A C 2.373 180.069 177.584 0.187 0.000 1.169 98 A CA 1.111 53.247 52.037 0.164 0.000 0.635 98 A CB -0.680 18.400 19.000 0.134 0.000 0.810 98 A HN 0.397 nan 8.150 nan 0.000 0.445 99 L N -0.486 120.882 121.223 0.242 0.000 2.012 99 L HA -0.202 4.138 4.340 0.001 0.000 0.210 99 L C 2.573 179.586 176.870 0.240 0.000 1.073 99 L CA 1.494 56.485 54.840 0.251 0.000 0.748 99 L CB -0.361 41.888 42.059 0.317 0.000 0.891 99 L HN 0.438 nan 8.230 nan 0.000 0.431 100 L N -0.463 120.904 121.223 0.239 0.000 1.989 100 L HA -0.280 4.061 4.340 0.001 0.000 0.211 100 L C 2.524 179.541 176.870 0.245 0.000 1.071 100 L CA 1.739 56.662 54.840 0.138 0.000 0.749 100 L CB -0.715 41.337 42.059 -0.011 0.000 0.890 100 L HN 0.340 nan 8.230 nan 0.000 0.431 101 E N -0.278 120.039 120.200 0.195 0.000 2.130 101 E HA -0.201 4.149 4.350 0.001 0.000 0.196 101 E C 1.124 177.820 176.600 0.160 0.000 0.998 101 E CA 0.556 57.058 56.400 0.171 0.000 0.806 101 E CB -0.118 29.656 29.700 0.123 0.000 0.738 101 E HN 0.467 nan 8.360 nan 0.000 0.459 105 R N 0.407 120.925 120.500 0.030 0.000 2.093 105 R HA 0.349 4.690 4.340 0.001 0.000 0.224 105 R C 1.388 177.684 176.300 -0.008 0.000 1.101 105 R CA 0.232 56.340 56.100 0.013 0.000 0.979 105 R CB -0.469 29.849 30.300 0.030 0.000 0.877 105 R HN 0.359 nan 8.270 nan 0.000 0.441 106 L N 1.465 122.672 121.223 -0.027 0.000 2.483 106 L HA 0.066 4.407 4.340 0.001 0.000 0.277 106 L C -1.850 175.023 176.870 0.006 0.000 1.248 106 L CA -1.635 53.167 54.840 -0.064 0.000 0.825 106 L CB -0.247 41.731 42.059 -0.135 0.000 1.096 106 L HN -0.046 nan 8.230 nan 0.000 0.512 107 P HA -0.056 nan 4.420 nan 0.000 0.269 107 P C 0.081 177.460 177.300 0.133 0.000 1.215 107 P CA -0.063 63.110 63.100 0.122 0.000 0.780 107 P CB 0.341 32.155 31.700 0.191 0.000 0.898 108 Y N 3.700 123.996 120.300 -0.005 0.000 2.002 108 Y HA -0.393 4.157 4.550 0.001 0.000 0.268 108 Y C 2.329 178.212 175.900 -0.029 0.000 1.177 108 Y CA 2.746 60.824 58.100 -0.036 0.000 1.111 108 Y CB -1.263 37.168 38.460 -0.050 0.000 0.952 108 Y HN 0.438 nan 8.280 nan 0.000 0.491 109 A N -0.683 122.096 122.820 -0.068 0.000 1.927 109 A HA -0.295 4.025 4.320 0.001 0.000 0.220 109 A C 2.113 179.456 177.584 -0.402 0.000 1.185 109 A CA 2.192 54.082 52.037 -0.245 0.000 0.639 109 A CB -1.611 17.292 19.000 -0.161 0.000 0.820 109 A HN 0.714 nan 8.150 nan 0.000 0.451 110 Y N -0.628 119.462 120.300 -0.350 0.000 2.133 110 Y HA -0.178 4.372 4.550 0.001 0.000 0.287 110 Y C 2.712 178.261 175.900 -0.586 0.000 1.134 110 Y CA 2.052 59.800 58.100 -0.585 0.000 1.133 110 Y CB -0.346 37.877 38.460 -0.396 0.000 0.987 110 Y HN 0.233 nan 8.280 nan 0.000 0.502 111 R N -0.295 120.165 120.500 -0.067 0.000 2.103 111 R HA -0.179 4.162 4.340 0.001 0.000 0.242 111 R C 2.148 178.507 176.300 0.098 0.000 1.142 111 R CA 2.052 58.217 56.100 0.107 0.000 0.960 111 R CB -0.824 29.415 30.300 -0.102 0.000 0.858 111 R HN 0.373 nan 8.270 nan 0.000 0.439 112 V N -2.091 117.702 119.914 -0.201 0.000 2.515 112 V HA -0.120 4.000 4.120 0.001 0.000 0.250 112 V C 2.102 178.221 176.094 0.042 0.000 1.058 112 V CA 1.366 63.602 62.300 -0.106 0.000 1.064 112 V CB -0.678 30.923 31.823 -0.370 0.000 0.675 112 V HN 0.032 nan 8.190 nan 0.000 0.461 113 V N -0.074 119.759 119.914 -0.136 0.000 2.358 113 V HA -0.149 3.971 4.120 0.001 0.000 0.246 113 V C 2.405 178.596 176.094 0.161 0.000 1.047 113 V CA 2.261 64.505 62.300 -0.093 0.000 1.035 113 V CB -0.863 30.688 31.823 -0.454 0.000 0.658 113 V HN 0.479 nan 8.190 nan 0.000 0.452 114 F N -1.068 118.987 119.950 0.175 0.000 2.186 114 F HA -0.175 4.352 4.527 0.001 0.000 0.299 114 F C 2.249 178.215 175.800 0.276 0.000 1.090 114 F CA 1.485 59.626 58.000 0.234 0.000 1.307 114 F CB -0.324 38.800 39.000 0.207 0.000 1.019 114 F HN 0.197 nan 8.300 nan 0.000 0.489 115 F N 0.139 120.297 119.950 0.346 0.000 2.186 115 F HA -0.251 4.276 4.527 0.001 0.000 0.299 115 F C 2.351 178.232 175.800 0.134 0.000 1.090 115 F CA 1.157 59.287 58.000 0.216 0.000 1.307 115 F CB -0.941 38.229 39.000 0.284 0.000 1.019 115 F HN 0.036 nan 8.300 nan 0.000 0.489 116 Y N -0.190 120.127 120.300 0.028 0.000 2.163 116 Y HA -0.230 4.320 4.550 0.001 0.000 0.288 116 Y C 2.246 178.103 175.900 -0.072 0.000 1.136 116 Y CA 1.882 59.923 58.100 -0.099 0.000 1.147 116 Y CB -1.310 37.154 38.460 0.006 0.000 0.987 116 Y HN 0.147 nan 8.280 nan 0.000 0.509 117 F N 0.470 120.242 119.950 -0.296 0.000 2.069 117 F HA -0.249 4.279 4.527 0.001 0.000 0.298 117 F C 2.047 177.625 175.800 -0.369 0.000 1.113 117 F CA 1.945 59.759 58.000 -0.310 0.000 1.214 117 F CB -0.881 38.151 39.000 0.053 0.000 0.978 117 F HN 0.109 nan 8.300 nan 0.000 0.474 118 L N 0.237 121.237 121.223 -0.373 0.000 1.997 118 L HA -0.345 3.996 4.340 0.001 0.000 0.216 118 L C 2.159 178.233 176.870 -1.327 0.000 1.074 118 L CA 2.189 56.587 54.840 -0.736 0.000 0.763 118 L CB -1.003 40.803 42.059 -0.421 0.000 0.890 118 L HN 0.206 nan 8.230 nan 0.000 0.434 119 N N -0.270 117.879 118.700 -0.918 0.000 2.084 119 N HA -0.140 4.600 4.740 0.001 0.000 0.190 119 N C 1.843 177.180 175.510 -0.288 0.000 1.030 119 N CA 1.412 54.158 53.050 -0.506 0.000 0.849 119 N CB -0.573 37.656 38.487 -0.429 0.000 1.012 119 N HN 0.343 nan 8.380 nan 0.000 0.423 120 G N 0.829 109.322 108.800 -0.511 0.000 2.469 120 G HA2 -0.242 3.719 3.960 0.001 0.000 0.219 120 G HA3 -0.242 3.719 3.960 0.001 0.000 0.219 120 G C 1.436 176.178 174.900 -0.263 0.000 1.150 120 G CA 0.730 45.603 45.100 -0.378 0.000 0.763 120 G HN 0.220 nan 8.290 nan 0.000 0.561 121 L N -0.288 120.650 121.223 -0.474 0.000 2.056 121 L HA 0.150 4.490 4.340 0.001 0.000 0.207 121 L C 2.505 179.458 176.870 0.138 0.000 1.078 121 L CA 1.311 55.973 54.840 -0.297 0.000 0.749 121 L CB -0.640 41.084 42.059 -0.558 0.000 0.901 121 L HN 0.158 nan 8.230 nan 0.000 0.433 122 F N -0.766 119.307 119.950 0.204 0.000 2.095 122 F HA -0.201 4.326 4.527 0.001 0.000 0.298 122 F C 2.379 178.474 175.800 0.492 0.000 1.104 122 F CA 1.288 59.556 58.000 0.446 0.000 1.232 122 F CB -1.519 37.779 39.000 0.496 0.000 0.987 122 F HN 0.133 nan 8.300 nan 0.000 0.475 123 L N 0.322 121.841 121.223 0.494 0.000 2.046 123 L HA -0.160 4.181 4.340 0.001 0.000 0.208 123 L C 2.324 179.325 176.870 0.219 0.000 1.077 123 L CA 1.821 56.786 54.840 0.208 0.000 0.747 123 L CB -0.848 41.272 42.059 0.102 0.000 0.896 123 L HN 0.007 nan 8.230 nan 0.000 0.432 124 E N -0.049 120.252 120.200 0.168 0.000 2.038 124 E HA -0.212 4.138 4.350 0.001 0.000 0.195 124 E C 2.190 178.857 176.600 0.113 0.000 1.000 124 E CA 1.505 57.962 56.400 0.095 0.000 0.803 124 E CB -0.526 29.185 29.700 0.018 0.000 0.750 124 E HN 0.617 nan 8.360 nan 0.000 0.448 125 A N 1.238 124.166 122.820 0.180 0.000 1.930 125 A HA -0.167 4.153 4.320 0.001 0.000 0.217 125 A C 2.034 179.663 177.584 0.076 0.000 1.175 125 A CA 1.167 53.222 52.037 0.029 0.000 0.627 125 A CB -0.930 18.113 19.000 0.071 0.000 0.815 125 A HN 0.454 nan 8.150 nan 0.000 0.443 126 W N 0.753 122.222 121.300 0.282 0.000 2.379 126 W HA -0.110 4.550 4.660 0.000 0.000 0.307 126 W C 2.352 178.959 176.519 0.146 0.000 1.200 126 W CA 1.885 59.461 57.345 0.386 0.000 1.297 126 W CB -0.515 29.337 29.460 0.654 0.000 1.140 126 W HN 0.409 nan 8.180 nan 0.000 0.507 127 A N -0.452 122.606 122.820 0.397 0.000 1.978 127 A HA -0.286 4.035 4.320 0.001 0.000 0.220 127 A C 1.760 179.353 177.584 0.015 0.000 1.170 127 A CA 2.216 54.372 52.037 0.198 0.000 0.636 127 A CB -1.273 17.798 19.000 0.118 0.000 0.810 127 A HN 0.550 nan 8.150 nan 0.000 0.448 128 H N -1.215 117.754 119.070 -0.167 0.000 2.284 128 H HA -0.062 4.495 4.556 0.001 0.000 0.304 128 H C 2.070 177.100 175.328 -0.497 0.000 1.069 128 H CA 2.040 57.870 56.048 -0.364 0.000 1.327 128 H CB -0.185 29.266 29.762 -0.519 0.000 1.387 128 H HN 0.557 nan 8.280 nan 0.000 0.498 129 H N -0.722 118.109 119.070 -0.399 0.000 2.436 129 H HA 0.099 4.655 4.556 0.001 0.000 0.294 129 H C 0.291 175.249 175.328 -0.616 0.000 1.048 129 H CA 0.851 56.574 56.048 -0.542 0.000 1.353 129 H CB 0.011 29.411 29.762 -0.603 0.000 1.414 129 H HN 0.115 nan 8.280 nan 0.000 0.536 130 V N 5.732 125.341 119.914 -0.508 0.000 2.408 130 V HA 0.100 4.220 4.120 0.001 0.000 0.267 130 V C -1.746 174.051 176.094 -0.495 0.000 1.047 130 V CA -1.435 60.439 62.300 -0.710 0.000 0.937 130 V CB 1.191 32.465 31.823 -0.915 0.000 0.999 130 V HN 0.128 nan 8.190 nan 0.000 0.472 131 P HA 0.135 nan 4.420 nan 0.000 0.269 131 P C 0.174 177.397 177.300 -0.129 0.000 1.209 131 P CA -0.041 62.794 63.100 -0.442 0.000 0.776 131 P CB 1.427 32.728 31.700 -0.665 0.000 0.876 132 E N 0.720 120.899 120.200 -0.035 0.000 2.216 132 E HA -0.099 4.252 4.350 0.001 0.000 0.192 132 E C 1.393 178.064 176.600 0.118 0.000 0.973 132 E CA 0.508 56.953 56.400 0.075 0.000 0.851 132 E CB -0.078 29.647 29.700 0.042 0.000 0.804 132 E HN 0.488 nan 8.360 nan 0.000 0.477 133 E N 1.050 121.303 120.200 0.089 0.000 1.939 133 E HA -0.214 4.137 4.350 0.001 0.000 0.227 133 E C 1.464 178.159 176.600 0.159 0.000 0.964 133 E CA 1.557 58.024 56.400 0.111 0.000 0.881 133 E CB -0.870 28.884 29.700 0.091 0.000 0.810 133 E HN 0.271 nan 8.360 nan 0.000 0.571 134 G N 0.097 109.030 108.800 0.221 0.000 3.107 134 G HA2 -0.032 3.929 3.960 0.001 0.000 0.155 134 G HA3 -0.032 3.929 3.960 0.001 0.000 0.155 134 G C -1.394 173.580 174.900 0.123 0.000 1.875 134 G CA 0.488 45.686 45.100 0.163 0.000 1.004 134 G HN 0.297 nan 8.290 nan 0.000 0.480 135 P HA -0.090 nan 4.420 nan 0.000 0.225 135 P C 0.961 178.214 177.300 -0.078 0.000 1.148 135 P CA 1.069 64.106 63.100 -0.104 0.000 0.779 135 P CB -0.066 31.478 31.700 -0.259 0.000 0.780 136 W N 1.049 122.403 121.300 0.089 0.000 2.388 136 W HA 0.078 4.739 4.660 0.001 0.000 0.294 136 W C 2.769 179.393 176.519 0.174 0.000 1.212 136 W CA 0.810 58.213 57.345 0.097 0.000 1.271 136 W CB -1.274 28.173 29.460 -0.021 0.000 1.126 136 W HN -0.049 nan 8.180 nan 0.000 0.535 137 A N 0.756 123.781 122.820 0.343 0.000 1.877 137 A HA -0.232 4.089 4.320 0.001 0.000 0.216 137 A C 1.880 179.598 177.584 0.224 0.000 1.186 137 A CA 1.810 54.002 52.037 0.258 0.000 0.620 137 A CB -0.766 18.338 19.000 0.173 0.000 0.822 137 A HN 0.330 nan 8.150 nan 0.000 0.443 138 E N -0.407 119.907 120.200 0.189 0.000 2.058 138 E HA -0.199 4.151 4.350 0.001 0.000 0.194 138 E C 2.080 178.847 176.600 0.278 0.000 0.997 138 E CA 1.181 57.685 56.400 0.172 0.000 0.801 138 E CB -0.346 29.466 29.700 0.185 0.000 0.746 138 E HN 0.634 nan 8.360 nan 0.000 0.450 139 L N 1.258 122.699 121.223 0.364 0.000 1.955 139 L HA -0.236 4.105 4.340 0.001 0.000 0.213 139 L C 2.807 179.960 176.870 0.473 0.000 1.072 139 L CA 1.964 57.097 54.840 0.487 0.000 0.755 139 L CB -0.481 41.897 42.059 0.532 0.000 0.888 139 L HN 0.199 nan 8.230 nan 0.000 0.432 140 S N -1.129 114.943 115.700 0.620 0.000 2.392 140 S HA -0.353 4.117 4.470 0.001 0.000 0.232 140 S C 1.671 176.436 174.600 0.276 0.000 1.041 140 S CA 1.550 60.131 58.200 0.634 0.000 1.026 140 S CB -0.590 63.117 63.200 0.846 0.000 0.845 140 S HN 0.575 nan 8.310 nan 0.000 0.465 141 Q N -0.351 119.549 119.800 0.166 0.000 2.265 141 Q HA 0.072 4.412 4.340 0.001 0.000 0.217 141 Q C 0.572 176.450 176.000 -0.203 0.000 0.916 141 Q CA 0.060 55.857 55.803 -0.010 0.000 0.948 141 Q CB 0.015 28.722 28.738 -0.052 0.000 1.020 141 Q HN 0.653 nan 8.270 nan 0.000 0.462 142 H N -2.276 116.732 119.070 -0.102 0.000 2.998 142 H HA -0.053 4.504 4.556 0.001 0.000 0.223 142 H C 0.895 175.785 175.328 -0.730 0.000 0.906 142 H CA 0.006 55.832 56.048 -0.370 0.000 1.014 142 H CB -0.183 29.365 29.762 -0.356 0.000 1.389 142 H HN 0.438 nan 8.280 nan 0.000 0.467 143 W N 1.294 122.130 121.300 -0.774 0.000 2.436 143 W HA 0.036 4.697 4.660 0.000 0.000 0.284 143 W C -0.695 175.239 176.519 -0.976 0.000 1.225 143 W CA 0.858 57.590 57.345 -1.022 0.000 1.271 143 W CB -0.033 28.769 29.460 -1.096 0.000 1.114 143 W HN -0.103 nan 8.180 nan 0.000 0.559 144 F N 1.050 120.734 119.950 -0.443 0.000 2.427 144 F HA 0.508 5.035 4.527 0.001 0.000 0.346 144 F C 0.851 176.499 175.800 -0.252 0.000 1.120 144 F CA -0.925 56.776 58.000 -0.498 0.000 1.033 144 F CB 0.865 39.527 39.000 -0.563 0.000 1.126 144 F HN -0.229 nan 8.300 nan 0.000 0.462 145 A N 4.962 127.812 122.820 0.050 0.000 2.445 145 A HA 0.298 4.619 4.320 0.001 0.000 0.242 145 A C -1.628 176.038 177.584 0.137 0.000 1.075 145 A CA -1.084 51.003 52.037 0.084 0.000 0.777 145 A CB 0.046 19.116 19.000 0.116 0.000 1.013 145 A HN 0.639 nan 8.150 nan 0.000 0.493 146 P HA -0.196 nan 4.420 nan 0.000 0.216 146 P C 0.635 177.998 177.300 0.104 0.000 1.153 146 P CA 1.750 64.897 63.100 0.078 0.000 0.858 146 P CB 0.121 31.852 31.700 0.052 0.000 0.789 147 E N -2.079 118.189 120.200 0.112 0.000 2.403 147 E HA 0.001 4.351 4.350 0.001 0.000 0.187 147 E C 1.247 177.926 176.600 0.132 0.000 1.073 147 E CA -0.249 56.212 56.400 0.102 0.000 0.888 147 E CB -0.755 28.989 29.700 0.074 0.000 1.035 147 E HN 0.252 nan 8.360 nan 0.000 0.471 148 F N 2.845 122.823 119.950 0.046 0.000 2.043 148 F HA -0.249 4.278 4.527 0.001 0.000 0.297 148 F C 2.226 178.055 175.800 0.048 0.000 1.121 148 F CA 2.044 60.081 58.000 0.061 0.000 1.199 148 F CB -0.024 39.029 39.000 0.088 0.000 0.968 148 F HN -0.055 nan 8.300 nan 0.000 0.478 149 Q N -0.226 119.672 119.800 0.164 0.000 2.291 149 Q HA -0.099 4.242 4.340 0.001 0.000 0.205 149 Q C 2.323 178.346 176.000 0.038 0.000 0.970 149 Q CA 0.934 56.774 55.803 0.062 0.000 0.876 149 Q CB -0.378 28.424 28.738 0.106 0.000 0.935 149 Q HN 0.567 nan 8.270 nan 0.000 0.455 150 A N 0.421 123.267 122.820 0.044 0.000 1.872 150 A HA -0.094 4.227 4.320 0.001 0.000 0.214 150 A C 2.308 179.937 177.584 0.073 0.000 1.187 150 A CA 0.999 53.070 52.037 0.057 0.000 0.614 150 A CB -0.537 18.491 19.000 0.046 0.000 0.826 150 A HN 0.183 nan 8.150 nan 0.000 0.442 151 V N -0.097 119.823 119.914 0.009 0.000 2.358 151 V HA -0.214 3.906 4.120 0.001 0.000 0.246 151 V C 2.490 178.557 176.094 -0.044 0.000 1.047 151 V CA 1.853 64.146 62.300 -0.012 0.000 1.035 151 V CB -0.799 31.000 31.823 -0.041 0.000 0.658 151 V HN 0.578 nan 8.190 nan 0.000 0.452 152 L N -0.218 120.916 121.223 -0.148 0.000 2.043 152 L HA -0.255 4.085 4.340 0.001 0.000 0.212 152 L C 2.315 179.220 176.870 0.058 0.000 1.075 152 L CA 2.356 57.128 54.840 -0.113 0.000 0.752 152 L CB -0.985 40.950 42.059 -0.206 0.000 0.891 152 L HN 0.501 nan 8.230 nan 0.000 0.432 153 Y N 0.304 120.588 120.300 -0.026 0.000 2.165 153 Y HA -0.269 4.281 4.550 0.001 0.000 0.286 153 Y C 2.246 178.116 175.900 -0.050 0.000 1.155 153 Y CA 2.159 60.248 58.100 -0.019 0.000 1.164 153 Y CB -0.405 38.044 38.460 -0.018 0.000 0.978 153 Y HN 0.327 nan 8.280 nan 0.000 0.513 154 D N -0.183 120.173 120.400 -0.072 0.000 2.219 154 D HA -0.129 4.511 4.640 0.001 0.000 0.205 154 D C 2.032 178.214 176.300 -0.197 0.000 0.970 154 D CA 0.913 54.822 54.000 -0.153 0.000 0.851 154 D CB -0.088 40.708 40.800 -0.007 0.000 0.943 154 D HN 0.331 nan 8.370 nan 0.000 0.488 155 L N 0.934 122.082 121.223 -0.125 0.000 2.109 155 L HA -0.050 4.290 4.340 0.001 0.000 0.207 155 L C 2.263 178.934 176.870 -0.333 0.000 1.086 155 L CA 1.274 56.059 54.840 -0.092 0.000 0.760 155 L CB -0.590 41.523 42.059 0.090 0.000 0.910 155 L HN 0.014 nan 8.230 nan 0.000 0.437 156 E N -0.542 119.350 120.200 -0.515 0.000 2.058 156 E HA -0.197 4.153 4.350 0.001 0.000 0.194 156 E C 2.151 178.372 176.600 -0.631 0.000 0.997 156 E CA 1.600 57.410 56.400 -0.984 0.000 0.801 156 E CB 0.062 29.407 29.700 -0.592 0.000 0.746 156 E HN 0.257 nan 8.360 nan 0.000 0.450 157 V N 1.454 121.039 119.914 -0.548 0.000 2.469 157 V HA -0.270 3.851 4.120 0.001 0.000 0.251 157 V C 2.380 178.281 176.094 -0.321 0.000 1.064 157 V CA 1.427 63.469 62.300 -0.431 0.000 1.066 157 V CB -0.419 31.130 31.823 -0.457 0.000 0.667 157 V HN 0.338 nan 8.190 nan 0.000 0.461 158 L N -0.111 120.914 121.223 -0.331 0.000 2.023 158 L HA -0.046 4.294 4.340 0.001 0.000 0.205 158 L C 2.764 179.485 176.870 -0.248 0.000 1.073 158 L CA 1.513 56.163 54.840 -0.317 0.000 0.745 158 L CB -0.917 40.937 42.059 -0.342 0.000 0.900 158 L HN 0.329 nan 8.230 nan 0.000 0.435 159 A N -0.009 122.653 122.820 -0.264 0.000 1.972 159 A HA -0.232 4.089 4.320 0.001 0.000 0.219 159 A C 2.381 179.912 177.584 -0.087 0.000 1.169 159 A CA 1.556 53.482 52.037 -0.185 0.000 0.635 159 A CB -0.563 18.315 19.000 -0.205 0.000 0.810 159 A HN 0.290 nan 8.150 nan 0.000 0.446 160 R N -0.861 119.542 120.500 -0.161 0.000 2.120 160 R HA -0.096 4.244 4.340 0.001 0.000 0.234 160 R C 2.189 178.474 176.300 -0.026 0.000 1.123 160 R CA 1.326 57.378 56.100 -0.081 0.000 0.975 160 R CB -0.399 29.796 30.300 -0.174 0.000 0.866 160 R HN 0.519 nan 8.270 nan 0.000 0.446 161 G N -0.146 108.619 108.800 -0.059 0.000 2.408 161 G HA2 -0.145 3.815 3.960 0.001 0.000 0.213 161 G HA3 -0.145 3.815 3.960 0.001 0.000 0.213 161 G C 1.279 176.189 174.900 0.017 0.000 1.177 161 G CA 0.052 45.137 45.100 -0.025 0.000 0.802 161 G HN 0.165 nan 8.290 nan 0.000 0.533 162 L N -1.023 120.195 121.223 -0.008 0.000 2.191 162 L HA -0.005 4.336 4.340 0.001 0.000 0.212 162 L C 2.480 179.329 176.870 -0.036 0.000 1.103 162 L CA 0.792 55.614 54.840 -0.029 0.000 0.769 162 L CB -0.311 41.692 42.059 -0.093 0.000 0.908 162 L HN 0.417 nan 8.230 nan 0.000 0.438 163 W N 1.191 122.383 121.300 -0.180 0.000 2.315 163 W HA -0.292 4.369 4.660 0.001 0.000 0.323 163 W C 2.256 178.681 176.519 -0.157 0.000 1.233 163 W CA 1.965 59.199 57.345 -0.184 0.000 1.267 163 W CB -0.014 29.364 29.460 -0.136 0.000 1.160 163 W HN 0.129 nan 8.180 nan 0.000 0.474 164 E N -0.517 119.887 120.200 0.340 0.000 2.831 164 E HA -0.353 3.997 4.350 0.001 0.000 0.227 164 E C 0.346 177.073 176.600 0.212 0.000 0.895 164 E CA 2.191 58.705 56.400 0.191 0.000 1.313 164 E CB -0.965 28.779 29.700 0.073 0.000 1.338 164 E HN 0.321 nan 8.360 nan 0.000 0.485 165 D N 0.451 120.906 120.400 0.092 0.000 2.485 165 D HA 0.394 5.035 4.640 0.001 0.000 0.256 165 D C -0.901 175.377 176.300 -0.036 0.000 1.141 165 D CA -0.371 53.661 54.000 0.053 0.000 0.942 165 D CB 0.077 40.898 40.800 0.035 0.000 1.003 165 D HN 0.105 nan 8.370 nan 0.000 0.507 166 L N -1.829 119.343 121.223 -0.085 0.000 2.493 166 L HA 0.482 4.822 4.340 0.001 0.000 0.265 166 L C -0.492 176.319 176.870 -0.099 0.000 0.954 166 L CA -1.115 53.580 54.840 -0.242 0.000 0.844 166 L CB 1.318 42.882 42.059 -0.824 0.000 1.302 166 L HN -0.123 nan 8.230 nan 0.000 0.405 167 D N 5.284 125.745 120.400 0.101 0.000 2.660 167 D HA -0.011 4.629 4.640 0.001 0.000 0.253 167 D C -1.276 175.087 176.300 0.106 0.000 1.256 167 D CA -0.611 53.473 54.000 0.140 0.000 0.914 167 D CB 1.153 42.063 40.800 0.184 0.000 1.137 167 D HN 0.576 nan 8.370 nan 0.000 0.542 168 P HA -0.154 nan 4.420 nan 0.000 0.225 168 P C 0.989 178.361 177.300 0.120 0.000 1.148 168 P CA 0.721 63.889 63.100 0.114 0.000 0.779 168 P CB 0.544 32.412 31.700 0.279 0.000 0.780 169 E N 0.218 120.489 120.200 0.118 0.000 2.170 169 E HA -0.052 4.299 4.350 0.001 0.000 0.191 169 E C 1.918 178.587 176.600 0.116 0.000 0.981 169 E CA 0.558 57.018 56.400 0.100 0.000 0.830 169 E CB -1.028 28.719 29.700 0.079 0.000 0.775 169 E HN -0.054 nan 8.360 nan 0.000 0.470 170 V N -0.167 119.846 119.914 0.164 0.000 2.453 170 V HA -0.172 3.948 4.120 0.001 0.000 0.247 170 V C 2.252 178.574 176.094 0.381 0.000 1.048 170 V CA 1.330 63.770 62.300 0.232 0.000 1.049 170 V CB -0.222 31.721 31.823 0.201 0.000 0.672 170 V HN 0.156 nan 8.190 nan 0.000 0.457 171 V N -0.279 119.827 119.914 0.320 0.000 2.427 171 V HA -0.228 3.892 4.120 0.001 0.000 0.248 171 V C 2.549 178.781 176.094 0.230 0.000 1.051 171 V CA 1.888 64.382 62.300 0.323 0.000 1.048 171 V CB -0.789 30.994 31.823 -0.066 0.000 0.666 171 V HN 0.434 nan 8.190 nan 0.000 0.456 172 R N 0.428 121.007 120.500 0.132 0.000 2.070 172 R HA -0.165 4.176 4.340 0.001 0.000 0.233 172 R C 2.689 179.001 176.300 0.020 0.000 1.137 172 R CA 2.134 58.273 56.100 0.064 0.000 0.945 172 R CB -0.787 29.549 30.300 0.059 0.000 0.845 172 R HN 0.733 nan 8.270 nan 0.000 0.430 173 T N -1.582 112.971 114.554 -0.000 0.000 2.737 173 T HA -0.217 4.134 4.350 0.001 0.000 0.269 173 T C 1.810 176.373 174.700 -0.228 0.000 1.040 173 T CA 1.439 63.460 62.100 -0.131 0.000 1.142 173 T CB -0.501 68.236 68.868 -0.219 0.000 0.861 173 T HN 0.257 nan 8.240 nan 0.000 0.456 174 Y N 0.456 120.697 120.300 -0.099 0.000 2.286 174 Y HA 0.302 4.852 4.550 0.001 0.000 0.293 174 Y C 2.304 178.030 175.900 -0.291 0.000 1.124 174 Y CA 0.170 58.111 58.100 -0.266 0.000 1.178 174 Y CB -0.427 37.700 38.460 -0.555 0.000 1.010 174 Y HN 0.146 nan 8.280 nan 0.000 0.536 175 L N 0.134 121.299 121.223 -0.096 0.000 2.046 175 L HA -0.165 4.176 4.340 0.001 0.000 0.208 175 L C 2.553 179.386 176.870 -0.062 0.000 1.077 175 L CA 1.586 56.273 54.840 -0.256 0.000 0.747 175 L CB -0.787 41.033 42.059 -0.399 0.000 0.896 175 L HN 0.114 nan 8.230 nan 0.000 0.432 176 R N -0.745 119.731 120.500 -0.040 0.000 2.081 176 R HA -0.130 4.210 4.340 0.001 0.000 0.235 176 R C 2.380 178.674 176.300 -0.010 0.000 1.131 176 R CA 1.233 57.330 56.100 -0.005 0.000 0.960 176 R CB -0.083 30.203 30.300 -0.023 0.000 0.856 176 R HN 0.264 nan 8.270 nan 0.000 0.436 177 R N 0.100 120.569 120.500 -0.053 0.000 2.115 177 R HA -0.029 4.312 4.340 0.001 0.000 0.230 177 R C 2.291 178.562 176.300 -0.048 0.000 1.111 177 R CA 1.232 57.291 56.100 -0.067 0.000 0.976 177 R CB -0.166 30.067 30.300 -0.112 0.000 0.870 177 R HN 0.324 nan 8.270 nan 0.000 0.445 178 I N 0.613 121.203 120.570 0.033 0.000 2.252 178 I HA -0.271 3.899 4.170 0.001 0.000 0.245 178 I C 1.992 178.175 176.117 0.110 0.000 1.102 178 I CA 0.815 62.185 61.300 0.117 0.000 1.385 178 I CB -0.168 38.048 38.000 0.360 0.000 1.064 178 I HN 0.115 nan 8.210 nan 0.000 0.414 179 L N 0.516 121.847 121.223 0.181 0.000 2.083 179 L HA -0.204 4.136 4.340 0.001 0.000 0.209 179 L C 2.430 179.337 176.870 0.062 0.000 1.083 179 L CA 1.818 56.756 54.840 0.163 0.000 0.752 179 L CB -1.305 40.859 42.059 0.175 0.000 0.899 179 L HN 0.264 nan 8.230 nan 0.000 0.433 180 E N -0.396 119.805 120.200 0.002 0.000 2.051 180 E HA -0.157 4.193 4.350 0.001 0.000 0.192 180 E C 2.278 178.815 176.600 -0.105 0.000 0.991 180 E CA 1.379 57.758 56.400 -0.034 0.000 0.799 180 E CB -0.077 29.595 29.700 -0.046 0.000 0.748 180 E HN 0.429 nan 8.360 nan 0.000 0.449 181 A N 0.882 123.535 122.820 -0.278 0.000 1.940 181 A HA -0.219 4.102 4.320 0.001 0.000 0.219 181 A C 1.997 179.309 177.584 -0.453 0.000 1.176 181 A CA 1.439 53.110 52.037 -0.609 0.000 0.631 181 A CB -0.411 17.719 19.000 -1.450 0.000 0.814 181 A HN 0.140 nan 8.150 nan 0.000 0.446 182 E N -0.214 119.891 120.200 -0.158 0.000 2.072 182 E HA -0.169 4.182 4.350 0.001 0.000 0.191 182 E C 2.010 178.824 176.600 0.357 0.000 0.985 182 E CA 1.224 57.793 56.400 0.280 0.000 0.801 182 E CB -0.282 29.657 29.700 0.400 0.000 0.750 182 E HN 0.710 nan 8.360 nan 0.000 0.452 183 K N 0.522 121.039 120.400 0.196 0.000 2.103 183 K HA -0.124 4.196 4.320 0.001 0.000 0.207 183 K C 2.010 178.703 176.600 0.155 0.000 1.048 183 K CA 1.205 57.596 56.287 0.173 0.000 0.930 183 K CB -0.021 32.529 32.500 0.084 0.000 0.716 183 K HN 0.041 nan 8.250 nan 0.000 0.444 184 A N 0.257 123.128 122.820 0.084 0.000 1.898 184 A HA -0.098 4.222 4.320 0.001 0.000 0.216 184 A C 2.116 179.742 177.584 0.069 0.000 1.181 184 A CA 1.967 54.034 52.037 0.050 0.000 0.620 184 A CB -0.800 18.198 19.000 -0.004 0.000 0.819 184 A HN 0.384 nan 8.150 nan 0.000 0.442 185 T N -1.762 112.851 114.554 0.099 0.000 2.867 185 T HA -0.151 4.200 4.350 0.001 0.000 0.268 185 T C 1.439 176.286 174.700 0.245 0.000 1.057 185 T CA 1.275 63.430 62.100 0.091 0.000 1.136 185 T CB -0.294 68.569 68.868 -0.010 0.000 0.874 185 T HN 0.703 nan 8.240 nan 0.000 0.466 186 W N 1.597 123.022 121.300 0.208 0.000 2.476 186 W HA -0.005 4.655 4.660 0.001 0.000 0.281 186 W C 2.881 179.320 176.519 -0.133 0.000 1.230 186 W CA 0.745 58.094 57.345 0.006 0.000 1.287 186 W CB -0.327 29.079 29.460 -0.089 0.000 1.108 186 W HN 0.244 nan 8.180 nan 0.000 0.567 187 S N 0.306 116.099 115.700 0.154 0.000 2.442 187 S HA -0.166 4.304 4.470 0.001 0.000 0.236 187 S C 1.599 176.213 174.600 0.023 0.000 1.007 187 S CA 0.883 59.116 58.200 0.055 0.000 0.965 187 S CB -0.806 62.425 63.200 0.052 0.000 0.773 187 S HN 0.314 nan 8.310 nan 0.000 0.504 188 L N 0.277 121.526 121.223 0.043 0.000 2.642 188 L HA 0.159 4.500 4.340 0.001 0.000 0.236 188 L C 1.564 178.444 176.870 0.017 0.000 1.169 188 L CA 0.587 55.457 54.840 0.050 0.000 0.851 188 L CB -0.388 41.733 42.059 0.103 0.000 0.968 188 L HN 0.362 nan 8.230 nan 0.000 0.453 189 L N -0.666 120.495 121.223 -0.103 0.000 2.700 189 L HA 0.194 4.534 4.340 0.001 0.000 0.234 189 L C 0.510 177.331 176.870 -0.082 0.000 1.156 189 L CA -0.195 54.544 54.840 -0.169 0.000 0.946 189 L CB 0.199 42.032 42.059 -0.376 0.000 1.216 189 L HN 0.179 nan 8.230 nan 0.000 0.493 190 L N 0.000 121.200 121.223 -0.038 0.000 2.949 190 L HA 0.000 4.340 4.340 0.001 0.000 0.249 190 L CA 0.000 54.827 54.840 -0.023 0.000 0.813 190 L CB 0.000 42.052 42.059 -0.011 0.000 0.961 190 L HN 0.000 nan 8.230 nan 0.000 0.502