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 3myg_1_A DATA FIRST_RESID 126 DATA SEQUENCE RQWALEDFEI GRPLGKGKFG NVYLAREKQS KFILALKVLF KAQLEKAGVE DATA SEQUENCE HQLRREVEIQ SHLRHPNILR LYGYFHDATR VYLILEYAPL GTVYRELQKL DATA SEQUENCE SKFDEQRTAT YITELANALS YCHSKRVIHR DIKPENLLLG SAGELKIADF DATA SEQUENCE GWSVHXXXXX XXXXXXTLDY LPPEMIEGRM HDEKVDLWSL GVLCYEFLVG DATA SEQUENCE KPPFEANTYQ ETYKRISRVE FTFPDFVTEG ARDLISRLLK HNPSQRPMLR DATA SEQUENCE EVLEHPWITA NSS 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 126 R HA 0.000 nan 4.340 nan 0.000 0.208 126 R C 0.000 176.078 176.300 -0.370 0.000 0.893 126 R CA 0.000 55.768 56.100 -0.553 0.000 0.921 126 R CB 0.000 29.540 30.300 -1.267 0.000 0.687 127 Q N 1.431 121.045 119.800 -0.309 0.000 2.016 127 Q HA 0.005 4.345 4.340 -0.000 0.000 0.200 127 Q C -0.504 175.475 176.000 -0.034 0.000 0.978 127 Q CA 1.565 57.280 55.803 -0.147 0.000 0.833 127 Q CB 0.280 28.935 28.738 -0.139 0.000 0.895 127 Q HN 0.449 nan 8.270 nan 0.000 0.427 128 W N -1.199 119.970 121.300 -0.217 0.000 3.079 128 W HA -0.137 4.523 4.660 0.000 0.000 0.450 128 W C -0.539 175.534 176.519 -0.745 0.000 1.859 128 W CA 0.431 57.532 57.345 -0.405 0.000 0.459 128 W CB -1.546 27.761 29.460 -0.255 0.000 2.859 128 W HN 0.291 nan 8.180 nan 0.000 0.416 129 A N 2.652 125.151 122.820 -0.536 0.000 2.430 129 A HA 0.739 5.058 4.320 -0.000 0.000 0.300 129 A C 0.190 177.435 177.584 -0.565 0.000 1.124 129 A CA -0.220 51.468 52.037 -0.582 0.000 0.766 129 A CB 1.467 20.330 19.000 -0.227 0.000 1.328 129 A HN 0.738 nan 8.150 nan 0.000 0.424 130 L N 0.644 121.737 121.223 -0.218 0.000 2.083 130 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 130 L C 2.360 179.249 176.870 0.031 0.000 1.083 130 L CA 2.900 57.739 54.840 -0.002 0.000 0.752 130 L CB -0.744 41.275 42.059 -0.066 0.000 0.899 130 L HN 0.934 nan 8.230 nan 0.000 0.433 131 E N -1.903 118.268 120.200 -0.048 0.000 2.331 131 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 131 E C 1.071 177.606 176.600 -0.109 0.000 1.008 131 E CA 1.391 57.757 56.400 -0.058 0.000 0.843 131 E CB -0.487 29.174 29.700 -0.066 0.000 0.761 131 E HN 0.557 nan 8.360 nan 0.000 0.507 132 D N -0.183 120.093 120.400 -0.207 0.000 2.347 132 D HA 0.040 4.680 4.640 -0.000 0.000 0.213 132 D C -0.255 175.672 176.300 -0.622 0.000 0.985 132 D CA 0.553 54.297 54.000 -0.428 0.000 0.879 132 D CB 0.128 40.588 40.800 -0.567 0.000 0.919 132 D HN 0.161 nan 8.370 nan 0.000 0.526 133 F N 0.849 120.774 119.950 -0.042 0.000 2.522 133 F HA 0.331 4.858 4.527 -0.000 0.000 0.324 133 F C 0.514 176.302 175.800 -0.020 0.000 1.077 133 F CA -1.027 56.963 58.000 -0.017 0.000 0.944 133 F CB 1.599 40.595 39.000 -0.005 0.000 1.175 133 F HN -0.415 nan 8.300 nan 0.000 0.468 134 E N 3.011 123.311 120.200 0.167 0.000 2.109 134 E HA 0.360 4.710 4.350 -0.000 0.000 0.278 134 E C -0.795 175.855 176.600 0.083 0.000 0.954 134 E CA -0.640 55.811 56.400 0.085 0.000 0.779 134 E CB 1.187 30.915 29.700 0.047 0.000 1.093 134 E HN 0.261 nan 8.360 nan 0.000 0.401 135 I N 2.903 123.495 120.570 0.036 0.000 2.474 135 I HA 0.221 4.391 4.170 -0.000 0.000 0.287 135 I C 1.046 177.163 176.117 0.001 0.000 1.048 135 I CA 0.235 61.528 61.300 -0.012 0.000 1.383 135 I CB 0.757 38.669 38.000 -0.148 0.000 1.412 135 I HN 0.611 nan 8.210 nan 0.000 0.531 136 G N 6.663 115.486 108.800 0.039 0.000 3.019 136 G HA2 0.453 4.413 3.960 -0.000 0.000 0.152 136 G HA3 0.453 4.413 3.960 -0.000 0.000 0.152 136 G C -0.065 174.908 174.900 0.122 0.000 1.320 136 G CA -0.689 44.442 45.100 0.052 0.000 1.013 136 G HN 0.644 nan 8.290 nan 0.000 0.593 137 R N 0.109 120.675 120.500 0.110 0.000 2.582 137 R HA 0.441 4.781 4.340 -0.000 0.000 0.271 137 R C -2.751 173.667 176.300 0.197 0.000 1.078 137 R CA -1.109 55.079 56.100 0.146 0.000 1.127 137 R CB 0.413 30.761 30.300 0.081 0.000 1.038 137 R HN 0.094 nan 8.270 nan 0.000 0.500 138 P HA 0.035 nan 4.420 nan 0.000 0.271 138 P C -0.088 177.165 177.300 -0.079 0.000 1.226 138 P CA -0.043 62.998 63.100 -0.099 0.000 0.765 138 P CB 0.648 32.284 31.700 -0.106 0.000 0.835 139 L N 1.755 122.910 121.223 -0.114 0.000 2.162 139 L HA 0.280 4.620 4.340 -0.000 0.000 0.205 139 L C 1.291 178.128 176.870 -0.055 0.000 1.086 139 L CA 0.789 55.610 54.840 -0.032 0.000 0.778 139 L CB -0.379 41.696 42.059 0.026 0.000 0.928 139 L HN 0.481 nan 8.230 nan 0.000 0.446 140 G N -0.227 108.501 108.800 -0.119 0.000 2.733 140 G HA2 0.507 4.467 3.960 -0.000 0.000 0.297 140 G HA3 0.507 4.467 3.960 -0.000 0.000 0.297 140 G C -1.482 173.332 174.900 -0.143 0.000 1.422 140 G CA -0.496 44.539 45.100 -0.108 0.000 0.942 140 G HN -0.204 nan 8.290 nan 0.000 0.510 141 K N -0.019 120.319 120.400 -0.103 0.000 2.385 141 K HA 0.848 5.167 4.320 -0.000 0.000 0.248 141 K C -0.174 176.392 176.600 -0.056 0.000 0.955 141 K CA -0.719 55.520 56.287 -0.080 0.000 0.816 141 K CB 2.803 35.269 32.500 -0.057 0.000 1.250 141 K HN 0.986 nan 8.250 nan 0.000 0.434 142 G N 1.236 110.020 108.800 -0.027 0.000 2.341 142 G HA2 0.190 4.150 3.960 -0.000 0.000 0.299 142 G HA3 0.190 4.150 3.960 -0.000 0.000 0.299 142 G C -1.691 173.208 174.900 -0.001 0.000 1.274 142 G CA -0.810 44.280 45.100 -0.017 0.000 0.853 142 G HN 0.294 nan 8.290 nan 0.000 0.493 143 K N -0.810 119.576 120.400 -0.022 0.000 2.258 143 K HA 0.627 4.947 4.320 -0.000 0.000 0.264 143 K C 0.316 176.911 176.600 -0.008 0.000 1.007 143 K CA 0.559 56.756 56.287 -0.149 0.000 0.941 143 K CB 0.007 32.320 32.500 -0.311 0.000 0.966 143 K HN 0.598 nan 8.250 nan 0.000 0.480 144 F N -1.419 118.578 119.950 0.078 0.000 2.483 144 F HA -0.314 4.213 4.527 -0.000 0.000 0.654 144 F C 0.960 176.871 175.800 0.185 0.000 0.494 144 F CA 1.086 59.157 58.000 0.118 0.000 1.045 144 F CB -1.628 37.437 39.000 0.107 0.000 1.846 144 F HN 0.734 nan 8.300 nan 0.000 0.262 145 G N -0.799 108.181 108.800 0.300 0.000 2.367 145 G HA2 0.437 4.397 3.960 -0.000 0.000 0.272 145 G HA3 0.437 4.397 3.960 -0.000 0.000 0.272 145 G C -1.948 173.034 174.900 0.138 0.000 1.271 145 G CA -0.299 44.980 45.100 0.297 0.000 0.893 145 G HN 0.230 nan 8.290 nan 0.000 0.485 146 N N -1.246 117.500 118.700 0.076 0.000 2.312 146 N HA 0.686 5.425 4.740 -0.000 0.000 0.296 146 N C -0.886 174.481 175.510 -0.237 0.000 1.193 146 N CA -0.444 52.516 53.050 -0.150 0.000 0.773 146 N CB 2.203 40.478 38.487 -0.354 0.000 1.435 146 N HN 0.474 nan 8.380 nan 0.000 0.484 147 V N 1.751 121.474 119.914 -0.317 0.000 2.398 147 V HA 0.450 4.570 4.120 -0.000 0.000 0.286 147 V C -0.928 174.950 176.094 -0.360 0.000 1.026 147 V CA -0.489 61.689 62.300 -0.203 0.000 0.868 147 V CB 0.054 31.828 31.823 -0.081 0.000 0.982 147 V HN 0.506 nan 8.190 nan 0.000 0.443 148 Y N 3.303 123.613 120.300 0.017 0.000 2.549 148 Y HA 0.640 5.190 4.550 -0.000 0.000 0.339 148 Y C -0.075 175.813 175.900 -0.020 0.000 1.053 148 Y CA -1.057 57.048 58.100 0.008 0.000 1.105 148 Y CB 1.839 40.308 38.460 0.015 0.000 1.258 148 Y HN 0.533 nan 8.280 nan 0.000 0.478 149 L N 2.334 123.621 121.223 0.108 0.000 2.331 149 L HA 0.756 5.096 4.340 -0.000 0.000 0.278 149 L C -0.401 176.466 176.870 -0.005 0.000 1.106 149 L CA 0.149 54.947 54.840 -0.069 0.000 0.824 149 L CB 0.050 41.996 42.059 -0.188 0.000 1.142 149 L HN 0.727 nan 8.230 nan 0.000 0.443 150 A N 5.657 128.463 122.820 -0.024 0.000 2.527 150 A HA 0.853 5.173 4.320 -0.000 0.000 0.293 150 A C -1.069 176.565 177.584 0.083 0.000 1.117 150 A CA -0.827 51.240 52.037 0.050 0.000 0.723 150 A CB 1.392 20.426 19.000 0.058 0.000 1.313 150 A HN 0.705 nan 8.150 nan 0.000 0.411 151 R N 0.950 121.548 120.500 0.164 0.000 2.514 151 R HA 0.319 4.659 4.340 -0.000 0.000 0.296 151 R C -1.144 175.301 176.300 0.242 0.000 1.012 151 R CA -0.479 55.722 56.100 0.167 0.000 0.897 151 R CB 1.416 31.756 30.300 0.067 0.000 1.184 151 R HN 0.775 nan 8.270 nan 0.000 0.440 152 E N 3.767 124.125 120.200 0.263 0.000 2.324 152 E HA 0.001 4.350 4.350 -0.000 0.000 0.271 152 E C 0.036 176.618 176.600 -0.029 0.000 1.028 152 E CA 0.371 56.777 56.400 0.010 0.000 0.890 152 E CB 1.034 30.776 29.700 0.070 0.000 1.004 152 E HN 0.571 nan 8.360 nan 0.000 0.431 153 K N 3.050 123.374 120.400 -0.127 0.000 2.032 153 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 153 K C 1.851 178.421 176.600 -0.051 0.000 1.048 153 K CA 1.491 57.732 56.287 -0.077 0.000 0.927 153 K CB 0.105 32.545 32.500 -0.101 0.000 0.712 153 K HN 0.508 nan 8.250 nan 0.000 0.441 154 Q N 0.160 119.921 119.800 -0.065 0.000 2.049 154 Q HA -0.085 4.255 4.340 -0.000 0.000 0.198 154 Q C 2.209 178.204 176.000 -0.009 0.000 0.971 154 Q CA 1.861 57.638 55.803 -0.043 0.000 0.833 154 Q CB -0.310 28.391 28.738 -0.061 0.000 0.896 154 Q HN 0.364 nan 8.270 nan 0.000 0.434 155 S N 0.053 115.764 115.700 0.020 0.000 2.478 155 S HA 0.093 4.563 4.470 -0.000 0.000 0.222 155 S C 0.606 175.263 174.600 0.096 0.000 1.008 155 S CA 0.352 58.592 58.200 0.065 0.000 0.928 155 S CB 0.136 63.395 63.200 0.098 0.000 0.781 155 S HN 0.329 nan 8.310 nan 0.000 0.518 156 K N -0.517 119.935 120.400 0.086 0.000 3.446 156 K HA -0.172 4.147 4.320 -0.000 0.000 0.312 156 K C -0.378 176.286 176.600 0.106 0.000 1.329 156 K CA 0.685 57.016 56.287 0.074 0.000 0.935 156 K CB -2.443 30.081 32.500 0.039 0.000 1.281 156 K HN 0.518 nan 8.250 nan 0.000 0.457 157 F N 2.252 122.216 119.950 0.023 0.000 2.533 157 F HA 0.099 4.626 4.527 -0.000 0.000 0.378 157 F C 0.663 176.498 175.800 0.058 0.000 1.070 157 F CA -0.345 57.674 58.000 0.031 0.000 1.172 157 F CB 0.375 39.382 39.000 0.011 0.000 1.085 157 F HN -0.065 nan 8.300 nan 0.000 0.552 158 I N 8.035 128.421 120.570 -0.308 0.000 2.441 158 I HA 0.211 4.381 4.170 -0.000 0.000 0.287 158 I C -0.206 175.820 176.117 -0.152 0.000 1.049 158 I CA -0.263 60.930 61.300 -0.178 0.000 1.381 158 I CB 0.796 38.689 38.000 -0.179 0.000 1.409 158 I HN 0.603 nan 8.210 nan 0.000 0.523 159 L N 4.593 125.851 121.223 0.059 0.000 2.510 159 L HA 0.935 5.275 4.340 -0.000 0.000 0.252 159 L C -0.632 176.318 176.870 0.133 0.000 1.091 159 L CA -0.946 54.038 54.840 0.239 0.000 0.888 159 L CB 1.546 43.855 42.059 0.417 0.000 1.507 159 L HN 0.442 nan 8.230 nan 0.000 0.407 160 A N 1.139 124.077 122.820 0.196 0.000 2.271 160 A HA 0.731 5.050 4.320 -0.000 0.000 0.317 160 A C -0.887 176.735 177.584 0.064 0.000 1.245 160 A CA -0.384 51.733 52.037 0.134 0.000 0.857 160 A CB 0.780 19.889 19.000 0.182 0.000 1.175 160 A HN 0.704 nan 8.150 nan 0.000 0.512 161 L N 3.240 124.491 121.223 0.047 0.000 2.277 161 L HA 0.336 4.675 4.340 -0.000 0.000 0.284 161 L C -0.017 176.897 176.870 0.072 0.000 1.028 161 L CA -0.223 54.622 54.840 0.008 0.000 0.835 161 L CB 1.081 43.129 42.059 -0.017 0.000 1.215 161 L HN 0.801 nan 8.230 nan 0.000 0.425 162 K N 4.184 124.591 120.400 0.011 0.000 2.273 162 K HA 0.288 4.608 4.320 -0.000 0.000 0.287 162 K C -0.952 175.625 176.600 -0.038 0.000 1.089 162 K CA -0.414 55.872 56.287 -0.002 0.000 0.909 162 K CB 0.797 33.285 32.500 -0.020 0.000 1.123 162 K HN 0.373 nan 8.250 nan 0.000 0.473 163 V N 7.287 127.201 119.914 -0.001 0.000 2.320 163 V HA 0.233 4.353 4.120 -0.000 0.000 0.265 163 V C -0.127 175.835 176.094 -0.219 0.000 1.048 163 V CA -0.651 61.541 62.300 -0.180 0.000 0.865 163 V CB 0.442 32.255 31.823 -0.018 0.000 1.043 163 V HN 0.631 nan 8.190 nan 0.000 0.474 164 L N 5.053 126.091 121.223 -0.309 0.000 2.307 164 L HA 0.576 4.916 4.340 -0.000 0.000 0.284 164 L C -0.437 176.285 176.870 -0.247 0.000 1.023 164 L CA -0.357 54.406 54.840 -0.128 0.000 0.810 164 L CB 1.367 43.401 42.059 -0.042 0.000 1.231 164 L HN 0.369 nan 8.230 nan 0.000 0.423 165 F N 2.373 122.323 119.950 -0.001 0.000 2.438 165 F HA 0.227 4.754 4.527 -0.000 0.000 0.356 165 F C 1.518 177.340 175.800 0.037 0.000 1.099 165 F CA -0.179 57.821 58.000 0.000 0.000 1.185 165 F CB 0.939 39.948 39.000 0.015 0.000 1.115 165 F HN 0.467 nan 8.300 nan 0.000 0.526 166 K N 2.439 122.926 120.400 0.144 0.000 2.152 166 K HA -0.214 4.105 4.320 -0.000 0.000 0.206 166 K C 2.144 178.828 176.600 0.141 0.000 1.048 166 K CA 1.315 57.672 56.287 0.116 0.000 0.933 166 K CB -0.176 32.379 32.500 0.092 0.000 0.721 166 K HN 0.787 nan 8.250 nan 0.000 0.447 167 A N 1.832 124.753 122.820 0.168 0.000 1.883 167 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 167 A C 2.102 179.748 177.584 0.102 0.000 1.186 167 A CA 1.554 53.660 52.037 0.117 0.000 0.624 167 A CB -0.362 18.694 19.000 0.094 0.000 0.822 167 A HN 0.278 nan 8.150 nan 0.000 0.444 168 Q N -0.229 119.650 119.800 0.132 0.000 2.187 168 Q HA 0.052 4.392 4.340 -0.000 0.000 0.199 168 Q C 2.104 178.267 176.000 0.272 0.000 0.957 168 Q CA 0.898 56.762 55.803 0.102 0.000 0.857 168 Q CB -0.578 28.143 28.738 -0.029 0.000 0.929 168 Q HN 0.677 nan 8.270 nan 0.000 0.453 169 L N 0.795 122.209 121.223 0.318 0.000 2.056 169 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 169 L C 2.277 179.240 176.870 0.154 0.000 1.078 169 L CA 1.393 56.393 54.840 0.266 0.000 0.749 169 L CB -0.254 41.884 42.059 0.132 0.000 0.901 169 L HN 0.200 nan 8.230 nan 0.000 0.433 170 E N 0.039 120.306 120.200 0.112 0.000 2.072 170 E HA -0.153 4.196 4.350 -0.000 0.000 0.190 170 E C 1.416 178.057 176.600 0.068 0.000 0.982 170 E CA 0.779 57.221 56.400 0.071 0.000 0.803 170 E CB 0.101 29.836 29.700 0.058 0.000 0.755 170 E HN 0.312 nan 8.360 nan 0.000 0.453 171 K N -0.270 120.176 120.400 0.077 0.000 2.665 171 K HA 0.165 4.485 4.320 -0.000 0.000 0.214 171 K C 0.455 177.096 176.600 0.069 0.000 1.032 171 K CA 0.243 56.562 56.287 0.054 0.000 1.198 171 K CB 0.632 33.150 32.500 0.030 0.000 0.941 171 K HN 0.060 nan 8.250 nan 0.000 0.491 172 A N -0.543 122.342 122.820 0.107 0.000 2.574 172 A HA 0.292 4.612 4.320 -0.000 0.000 0.170 172 A C 0.820 178.456 177.584 0.086 0.000 1.617 172 A CA 0.210 52.328 52.037 0.135 0.000 1.189 172 A CB 0.380 19.558 19.000 0.296 0.000 1.496 172 A HN 0.229 nan 8.150 nan 0.000 0.505 173 G N -0.201 108.634 108.800 0.058 0.000 2.417 173 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.291 173 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.291 173 G C 0.382 175.255 174.900 -0.046 0.000 1.094 173 G CA 0.279 45.381 45.100 0.003 0.000 1.146 173 G HN 1.026 nan 8.290 nan 0.000 0.519 174 V N 0.985 120.863 119.914 -0.061 0.000 3.605 174 V HA 0.052 4.172 4.120 -0.000 0.000 0.284 174 V C 2.362 178.360 176.094 -0.160 0.000 1.386 174 V CA 1.161 63.346 62.300 -0.192 0.000 1.053 174 V CB 0.445 32.072 31.823 -0.327 0.000 0.857 174 V HN 0.752 nan 8.190 nan 0.000 0.436 175 E N 1.151 121.304 120.200 -0.080 0.000 2.169 175 E HA -0.388 3.962 4.350 -0.000 0.000 0.202 175 E C 1.906 178.466 176.600 -0.067 0.000 1.016 175 E CA 2.503 58.864 56.400 -0.066 0.000 0.817 175 E CB -0.482 29.200 29.700 -0.030 0.000 0.736 175 E HN 0.753 nan 8.360 nan 0.000 0.462 176 H N 1.145 120.135 119.070 -0.134 0.000 2.333 176 H HA 0.003 4.558 4.556 -0.000 0.000 0.302 176 H C 2.295 177.532 175.328 -0.152 0.000 1.075 176 H CA 2.180 58.153 56.048 -0.126 0.000 1.348 176 H CB 0.040 29.733 29.762 -0.115 0.000 1.393 176 H HN 0.151 nan 8.280 nan 0.000 0.509 177 Q N -0.455 119.239 119.800 -0.178 0.000 2.181 177 Q HA -0.142 4.198 4.340 -0.000 0.000 0.205 177 Q C 2.247 178.117 176.000 -0.217 0.000 0.980 177 Q CA 1.349 56.995 55.803 -0.262 0.000 0.862 177 Q CB -0.112 28.348 28.738 -0.465 0.000 0.905 177 Q HN 0.401 nan 8.270 nan 0.000 0.429 178 L N 0.801 121.899 121.223 -0.209 0.000 2.027 178 L HA -0.158 4.182 4.340 -0.000 0.000 0.206 178 L C 2.176 178.919 176.870 -0.211 0.000 1.074 178 L CA 1.719 56.450 54.840 -0.183 0.000 0.745 178 L CB -0.236 41.718 42.059 -0.175 0.000 0.898 178 L HN -0.025 nan 8.230 nan 0.000 0.433 179 R N -0.938 119.414 120.500 -0.246 0.000 2.081 179 R HA -0.150 4.190 4.340 -0.000 0.000 0.235 179 R C 2.475 178.634 176.300 -0.234 0.000 1.131 179 R CA 1.631 57.574 56.100 -0.261 0.000 0.960 179 R CB -0.290 29.856 30.300 -0.256 0.000 0.856 179 R HN 0.292 nan 8.270 nan 0.000 0.436 180 R N 0.493 120.830 120.500 -0.272 0.000 2.096 180 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 180 R C 2.142 178.387 176.300 -0.091 0.000 1.127 180 R CA 1.595 57.583 56.100 -0.187 0.000 0.968 180 R CB -0.024 30.146 30.300 -0.218 0.000 0.861 180 R HN 0.259 nan 8.270 nan 0.000 0.440 181 E N -0.408 119.744 120.200 -0.079 0.000 2.072 181 E HA -0.151 4.198 4.350 -0.000 0.000 0.191 181 E C 1.722 178.283 176.600 -0.065 0.000 0.985 181 E CA 1.253 57.643 56.400 -0.016 0.000 0.801 181 E CB 0.203 29.904 29.700 0.001 0.000 0.750 181 E HN 0.133 nan 8.360 nan 0.000 0.452 182 V N 2.262 122.103 119.914 -0.123 0.000 2.237 182 V HA -0.296 3.823 4.120 -0.000 0.000 0.245 182 V C 2.468 178.499 176.094 -0.105 0.000 1.046 182 V CA 2.371 64.581 62.300 -0.151 0.000 1.007 182 V CB -0.819 30.813 31.823 -0.318 0.000 0.638 182 V HN 0.493 nan 8.190 nan 0.000 0.445 183 E N 0.304 120.463 120.200 -0.069 0.000 2.051 183 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 183 E C 2.176 178.825 176.600 0.083 0.000 0.991 183 E CA 2.041 58.470 56.400 0.048 0.000 0.799 183 E CB -0.492 29.257 29.700 0.081 0.000 0.748 183 E HN 0.550 nan 8.360 nan 0.000 0.449 184 I N 1.059 121.631 120.570 0.002 0.000 2.163 184 I HA -0.254 3.916 4.170 -0.000 0.000 0.240 184 I C 2.832 178.845 176.117 -0.173 0.000 1.081 184 I CA 1.544 62.810 61.300 -0.057 0.000 1.353 184 I CB -0.224 37.721 38.000 -0.092 0.000 1.054 184 I HN 0.136 nan 8.210 nan 0.000 0.407 185 Q N 0.043 119.708 119.800 -0.225 0.000 2.297 185 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 185 Q C 2.302 178.201 176.000 -0.170 0.000 0.962 185 Q CA 1.630 57.282 55.803 -0.252 0.000 0.879 185 Q CB 0.046 28.660 28.738 -0.207 0.000 0.947 185 Q HN 0.612 nan 8.270 nan 0.000 0.462 186 S N -0.731 114.869 115.700 -0.166 0.000 2.425 186 S HA -0.082 4.388 4.470 -0.000 0.000 0.225 186 S C 1.532 175.985 174.600 -0.246 0.000 1.024 186 S CA 0.556 58.631 58.200 -0.209 0.000 0.951 186 S CB -0.202 62.841 63.200 -0.262 0.000 0.796 186 S HN 0.413 nan 8.310 nan 0.000 0.498 187 H N 1.022 120.099 119.070 0.012 0.000 2.497 187 H HA 0.378 4.934 4.556 -0.000 0.000 0.282 187 H C 0.553 175.919 175.328 0.062 0.000 1.003 187 H CA 0.152 56.222 56.048 0.038 0.000 1.307 187 H CB -0.071 29.712 29.762 0.035 0.000 1.437 187 H HN 0.344 nan 8.280 nan 0.000 0.544 188 L N 2.075 123.369 121.223 0.118 0.000 2.367 188 L HA 0.223 4.563 4.340 -0.000 0.000 0.275 188 L C 0.137 177.098 176.870 0.150 0.000 1.129 188 L CA 0.183 55.142 54.840 0.198 0.000 0.839 188 L CB 0.687 42.794 42.059 0.079 0.000 1.133 188 L HN -0.072 nan 8.230 nan 0.000 0.453 189 R N 2.851 123.473 120.500 0.203 0.000 2.468 189 R HA 0.445 4.785 4.340 -0.000 0.000 0.302 189 R C -1.065 175.139 176.300 -0.160 0.000 1.041 189 R CA -0.559 55.566 56.100 0.041 0.000 0.899 189 R CB 1.249 31.596 30.300 0.078 0.000 1.167 189 R HN 0.515 nan 8.270 nan 0.000 0.483 190 H N 3.377 122.278 119.070 -0.281 0.000 3.079 190 H HA 0.197 4.753 4.556 -0.000 0.000 0.356 190 H C -2.192 173.035 175.328 -0.168 0.000 1.221 190 H CA -1.809 54.014 56.048 -0.375 0.000 1.185 190 H CB 2.701 32.106 29.762 -0.595 0.000 1.882 190 H HN 0.276 nan 8.280 nan 0.000 0.543 191 P HA -0.031 nan 4.420 nan 0.000 0.223 191 P C -0.014 177.314 177.300 0.047 0.000 1.151 191 P CA 0.955 63.980 63.100 -0.125 0.000 0.787 191 P CB 0.391 31.973 31.700 -0.196 0.000 0.788 192 N N -0.523 118.357 118.700 0.301 0.000 2.279 192 N HA 0.240 4.980 4.740 -0.000 0.000 0.226 192 N C -0.055 175.559 175.510 0.173 0.000 1.126 192 N CA -0.069 53.124 53.050 0.239 0.000 0.846 192 N CB 0.132 38.767 38.487 0.247 0.000 1.050 192 N HN 0.171 nan 8.380 nan 0.000 0.502 193 I N 0.874 121.542 120.570 0.163 0.000 2.499 193 I HA 0.213 4.383 4.170 -0.000 0.000 0.288 193 I C -0.843 175.318 176.117 0.074 0.000 1.048 193 I CA -1.088 60.291 61.300 0.132 0.000 1.062 193 I CB 2.127 40.186 38.000 0.099 0.000 1.238 193 I HN -0.090 nan 8.210 nan 0.000 0.426 194 L N 6.723 127.999 121.223 0.088 0.000 2.462 194 L HA 0.201 4.541 4.340 -0.000 0.000 0.272 194 L C 0.611 177.450 176.870 -0.052 0.000 1.166 194 L CA 0.604 55.459 54.840 0.026 0.000 0.880 194 L CB 0.057 42.148 42.059 0.052 0.000 1.142 194 L HN 0.519 nan 8.230 nan 0.000 0.473 195 R N 3.218 123.637 120.500 -0.135 0.000 2.539 195 R HA 0.361 4.701 4.340 -0.000 0.000 0.275 195 R C -1.089 174.944 176.300 -0.446 0.000 1.077 195 R CA -0.771 55.159 56.100 -0.283 0.000 1.097 195 R CB 0.899 31.005 30.300 -0.324 0.000 1.018 195 R HN 0.445 nan 8.270 nan 0.000 0.483 196 L N 4.188 125.187 121.223 -0.373 0.000 2.319 196 L HA 0.236 4.576 4.340 -0.000 0.000 0.281 196 L C -0.655 176.074 176.870 -0.236 0.000 1.005 196 L CA -0.076 54.592 54.840 -0.287 0.000 0.828 196 L CB 1.249 43.230 42.059 -0.130 0.000 1.227 196 L HN 0.654 nan 8.230 nan 0.000 0.415 197 Y N 3.862 124.182 120.300 0.033 0.000 2.397 197 Y HA 0.546 5.096 4.550 -0.000 0.000 0.292 197 Y C 1.486 177.449 175.900 0.104 0.000 1.115 197 Y CA 0.346 58.471 58.100 0.041 0.000 1.208 197 Y CB 0.319 38.769 38.460 -0.017 0.000 1.046 197 Y HN 0.669 nan 8.280 nan 0.000 0.552 198 G N -1.222 107.707 108.800 0.215 0.000 2.427 198 G HA2 0.447 4.407 3.960 -0.000 0.000 0.306 198 G HA3 0.447 4.407 3.960 -0.000 0.000 0.306 198 G C -2.161 172.926 174.900 0.312 0.000 1.280 198 G CA -0.479 44.800 45.100 0.299 0.000 0.837 198 G HN 0.111 nan 8.290 nan 0.000 0.482 199 Y N -1.606 118.843 120.300 0.247 0.000 2.656 199 Y HA 0.823 5.372 4.550 -0.000 0.000 0.334 199 Y C -1.191 174.979 175.900 0.450 0.000 1.179 199 Y CA -1.904 56.319 58.100 0.206 0.000 1.050 199 Y CB 1.362 39.887 38.460 0.109 0.000 1.308 199 Y HN 1.381 nan 8.280 nan 0.000 0.456 200 F N -0.777 119.356 119.950 0.305 0.000 2.817 200 F HA 0.854 5.381 4.527 -0.000 0.000 0.317 200 F C -1.458 174.645 175.800 0.505 0.000 1.168 200 F CA -1.086 57.091 58.000 0.295 0.000 0.911 200 F CB 1.625 40.737 39.000 0.188 0.000 1.337 200 F HN 0.966 nan 8.300 nan 0.000 0.464 201 H N -1.599 117.748 119.070 0.462 0.000 3.017 201 H HA 0.740 5.296 4.556 -0.000 0.000 0.346 201 H C -1.887 173.655 175.328 0.358 0.000 1.286 201 H CA -0.643 55.608 56.048 0.338 0.000 1.120 201 H CB 2.216 32.096 29.762 0.197 0.000 1.860 201 H HN 0.756 nan 8.280 nan 0.000 0.542 202 D N 1.010 121.556 120.400 0.243 0.000 2.887 202 D HA 0.412 5.052 4.640 -0.000 0.000 0.221 202 D C 1.240 177.628 176.300 0.147 0.000 1.276 202 D CA -0.202 53.883 54.000 0.142 0.000 1.078 202 D CB -0.141 40.800 40.800 0.234 0.000 1.217 202 D HN 0.630 nan 8.370 nan 0.000 0.631 203 A N -0.891 122.007 122.820 0.130 0.000 1.930 203 A HA 0.053 4.373 4.320 -0.000 0.000 0.215 203 A C 2.045 179.706 177.584 0.127 0.000 1.176 203 A CA 2.216 54.327 52.037 0.123 0.000 0.632 203 A CB -0.862 18.198 19.000 0.099 0.000 0.819 203 A HN 0.530 nan 8.150 nan 0.000 0.445 204 T N -1.684 112.940 114.554 0.116 0.000 3.042 204 T HA 0.229 4.579 4.350 -0.000 0.000 0.245 204 T C 0.838 175.545 174.700 0.011 0.000 1.029 204 T CA 0.178 62.345 62.100 0.111 0.000 1.120 204 T CB 0.033 68.996 68.868 0.159 0.000 0.917 204 T HN 0.458 nan 8.240 nan 0.000 0.467 205 R N 0.009 120.435 120.500 -0.124 0.000 2.892 205 R HA 0.742 5.082 4.340 -0.000 0.000 0.265 205 R C -1.543 174.543 176.300 -0.357 0.000 1.025 205 R CA -0.809 55.025 56.100 -0.443 0.000 0.982 205 R CB 2.345 32.067 30.300 -0.964 0.000 1.185 205 R HN 0.009 nan 8.270 nan 0.000 0.484 206 V N 2.160 121.797 119.914 -0.462 0.000 2.409 206 V HA 0.374 4.494 4.120 -0.000 0.000 0.291 206 V C -1.308 174.483 176.094 -0.504 0.000 1.020 206 V CA -0.797 61.341 62.300 -0.270 0.000 0.848 206 V CB 1.042 32.797 31.823 -0.113 0.000 0.990 206 V HN 0.572 nan 8.190 nan 0.000 0.430 207 Y N 4.747 124.822 120.300 -0.375 0.000 2.328 207 Y HA 0.617 5.167 4.550 -0.000 0.000 0.337 207 Y C 0.038 175.681 175.900 -0.428 0.000 0.966 207 Y CA -0.778 56.961 58.100 -0.601 0.000 1.136 207 Y CB 1.384 39.006 38.460 -1.396 0.000 1.170 207 Y HN 0.401 nan 8.280 nan 0.000 0.470 208 L N 5.489 126.638 121.223 -0.124 0.000 2.282 208 L HA 0.503 4.843 4.340 -0.000 0.000 0.288 208 L C -0.472 176.352 176.870 -0.077 0.000 1.033 208 L CA -0.677 54.133 54.840 -0.050 0.000 0.807 208 L CB 1.308 43.347 42.059 -0.033 0.000 1.209 208 L HN 0.604 nan 8.230 nan 0.000 0.423 209 I N 5.040 125.572 120.570 -0.062 0.000 2.287 209 I HA 0.296 4.466 4.170 -0.000 0.000 0.290 209 I C -0.234 175.906 176.117 0.038 0.000 1.069 209 I CA -0.038 61.215 61.300 -0.079 0.000 1.237 209 I CB 0.641 38.512 38.000 -0.215 0.000 1.418 209 I HN 0.407 nan 8.210 nan 0.000 0.481 210 L N 5.121 126.379 121.223 0.058 0.000 2.303 210 L HA 0.425 4.765 4.340 -0.000 0.000 0.266 210 L C 0.425 177.375 176.870 0.134 0.000 1.011 210 L CA -0.725 54.110 54.840 -0.008 0.000 0.818 210 L CB 1.605 43.660 42.059 -0.007 0.000 1.326 210 L HN 0.511 nan 8.230 nan 0.000 0.435 211 E N 0.823 120.987 120.200 -0.061 0.000 2.384 211 E HA -0.057 4.293 4.350 -0.000 0.000 0.266 211 E C -1.541 175.189 176.600 0.216 0.000 1.012 211 E CA -0.239 56.276 56.400 0.193 0.000 0.901 211 E CB 0.615 30.326 29.700 0.019 0.000 0.967 211 E HN 0.412 nan 8.360 nan 0.000 0.435 212 Y N 3.535 123.916 120.300 0.136 0.000 2.327 212 Y HA 0.440 4.990 4.550 -0.000 0.000 0.336 212 Y C -0.835 175.087 175.900 0.038 0.000 1.035 212 Y CA -0.929 57.209 58.100 0.063 0.000 1.165 212 Y CB 1.068 39.553 38.460 0.042 0.000 1.181 212 Y HN 0.486 nan 8.280 nan 0.000 0.494 213 A N 8.945 131.506 122.820 -0.432 0.000 2.341 213 A HA 0.454 4.774 4.320 -0.000 0.000 0.326 213 A C -2.144 174.948 177.584 -0.819 0.000 1.402 213 A CA -1.651 50.106 52.037 -0.466 0.000 0.957 213 A CB 0.233 19.113 19.000 -0.200 0.000 1.151 213 A HN 0.740 nan 8.150 nan 0.000 0.533 214 P HA -0.098 nan 4.420 nan 0.000 0.220 214 P C 0.800 177.962 177.300 -0.230 0.000 1.148 214 P CA 0.891 63.602 63.100 -0.649 0.000 0.803 214 P CB 0.151 31.659 31.700 -0.320 0.000 0.782 215 L N -1.796 119.318 121.223 -0.182 0.000 2.629 215 L HA 0.276 4.616 4.340 -0.000 0.000 0.230 215 L C 1.289 178.121 176.870 -0.063 0.000 1.151 215 L CA -0.014 54.773 54.840 -0.088 0.000 0.924 215 L CB -1.237 40.779 42.059 -0.071 0.000 1.137 215 L HN 0.101 nan 8.230 nan 0.000 0.457 216 G N 1.041 109.798 108.800 -0.073 0.000 2.641 216 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.254 216 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.254 216 G C 0.155 175.038 174.900 -0.029 0.000 1.315 216 G CA -0.056 45.029 45.100 -0.025 0.000 0.907 216 G HN 0.359 nan 8.290 nan 0.000 0.572 217 T N -2.325 112.236 114.554 0.012 0.000 2.904 217 T HA 0.534 4.884 4.350 -0.000 0.000 0.290 217 T C 1.545 176.267 174.700 0.038 0.000 1.018 217 T CA 0.212 62.326 62.100 0.024 0.000 1.075 217 T CB 1.697 70.607 68.868 0.070 0.000 0.986 217 T HN 1.277 nan 8.240 nan 0.000 0.523 218 V N 1.972 121.888 119.914 0.003 0.000 2.626 218 V HA -0.090 4.030 4.120 -0.000 0.000 0.252 218 V C 1.995 178.174 176.094 0.141 0.000 1.067 218 V CA 1.579 63.885 62.300 0.010 0.000 1.081 218 V CB -1.476 30.278 31.823 -0.114 0.000 0.686 218 V HN 0.942 nan 8.190 nan 0.000 0.468 219 Y N 1.760 122.082 120.300 0.038 0.000 2.097 219 Y HA -0.329 4.221 4.550 -0.000 0.000 0.282 219 Y C 2.749 178.679 175.900 0.051 0.000 1.152 219 Y CA 2.503 60.629 58.100 0.044 0.000 1.136 219 Y CB -0.204 38.262 38.460 0.009 0.000 0.975 219 Y HN 0.145 nan 8.280 nan 0.000 0.498 220 R N 0.848 121.489 120.500 0.234 0.000 2.081 220 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 220 R C 2.270 178.610 176.300 0.066 0.000 1.131 220 R CA 2.050 58.237 56.100 0.146 0.000 0.960 220 R CB -0.668 29.723 30.300 0.152 0.000 0.856 220 R HN 0.576 nan 8.270 nan 0.000 0.436 221 E N -0.596 119.664 120.200 0.100 0.000 2.110 221 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 221 E C 1.575 178.314 176.600 0.231 0.000 0.988 221 E CA 1.113 57.605 56.400 0.154 0.000 0.804 221 E CB -0.157 29.637 29.700 0.156 0.000 0.745 221 E HN 0.237 nan 8.360 nan 0.000 0.458 222 L N 1.069 122.365 121.223 0.122 0.000 2.056 222 L HA -0.142 4.197 4.340 -0.000 0.000 0.207 222 L C 2.194 178.984 176.870 -0.134 0.000 1.078 222 L CA 1.781 56.544 54.840 -0.128 0.000 0.749 222 L CB -0.986 40.915 42.059 -0.264 0.000 0.901 222 L HN 0.270 nan 8.230 nan 0.000 0.433 223 Q N -0.870 118.835 119.800 -0.158 0.000 2.084 223 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 223 Q C 2.164 178.137 176.000 -0.045 0.000 0.978 223 Q CA 1.612 57.339 55.803 -0.127 0.000 0.844 223 Q CB -0.030 28.629 28.738 -0.130 0.000 0.898 223 Q HN 0.500 nan 8.270 nan 0.000 0.426 224 K N 0.432 120.830 120.400 -0.003 0.000 2.001 224 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 224 K C 1.993 178.608 176.600 0.025 0.000 1.048 224 K CA 0.991 57.289 56.287 0.019 0.000 0.932 224 K CB -0.087 32.435 32.500 0.037 0.000 0.715 224 K HN 0.194 nan 8.250 nan 0.000 0.437 225 L N 0.720 121.981 121.223 0.064 0.000 2.554 225 L HA -0.023 4.317 4.340 -0.000 0.000 0.226 225 L C 0.985 177.867 176.870 0.020 0.000 1.137 225 L CA 0.148 55.037 54.840 0.083 0.000 0.863 225 L CB -0.150 42.047 42.059 0.229 0.000 0.985 225 L HN 0.220 nan 8.230 nan 0.000 0.451 226 S N -0.365 115.314 115.700 -0.035 0.000 1.703 226 S HA -0.277 4.193 4.470 -0.000 0.000 0.232 226 S C 0.360 174.884 174.600 -0.126 0.000 0.865 226 S CA 2.260 60.416 58.200 -0.074 0.000 1.462 226 S CB -0.651 62.514 63.200 -0.060 0.000 1.879 226 S HN 0.724 nan 8.310 nan 0.000 0.532 227 K N -0.374 119.950 120.400 -0.127 0.000 2.607 227 K HA 0.671 4.991 4.320 -0.000 0.000 0.287 227 K C -1.615 174.979 176.600 -0.009 0.000 0.996 227 K CA -1.016 55.161 56.287 -0.183 0.000 0.876 227 K CB 0.735 33.174 32.500 -0.101 0.000 1.496 227 K HN 0.060 nan 8.250 nan 0.000 0.415 228 F N 1.156 121.119 119.950 0.022 0.000 2.483 228 F HA 0.301 4.828 4.527 -0.000 0.000 0.329 228 F C 0.310 176.116 175.800 0.010 0.000 1.064 228 F CA -1.108 56.884 58.000 -0.014 0.000 0.986 228 F CB 0.924 39.895 39.000 -0.048 0.000 1.218 228 F HN 0.725 nan 8.300 nan 0.000 0.484 229 D N -0.642 119.860 120.400 0.170 0.000 2.398 229 D HA 0.115 4.755 4.640 -0.000 0.000 0.247 229 D C 0.574 176.947 176.300 0.120 0.000 1.227 229 D CA -0.329 53.727 54.000 0.093 0.000 0.980 229 D CB 0.502 41.306 40.800 0.006 0.000 1.106 229 D HN 0.607 nan 8.370 nan 0.000 0.493 230 E N -0.643 119.623 120.200 0.110 0.000 2.204 230 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 230 E C 1.699 178.203 176.600 -0.161 0.000 0.989 230 E CA 0.941 57.399 56.400 0.095 0.000 0.824 230 E CB -0.093 29.660 29.700 0.089 0.000 0.756 230 E HN 0.429 nan 8.360 nan 0.000 0.477 231 Q N 0.624 120.328 119.800 -0.161 0.000 2.049 231 Q HA -0.076 4.264 4.340 -0.000 0.000 0.198 231 Q C 2.080 177.925 176.000 -0.257 0.000 0.971 231 Q CA 1.171 56.843 55.803 -0.219 0.000 0.833 231 Q CB -0.188 28.444 28.738 -0.177 0.000 0.896 231 Q HN 0.119 nan 8.270 nan 0.000 0.434 232 R N -0.364 119.964 120.500 -0.288 0.000 2.075 232 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 232 R C 1.847 177.841 176.300 -0.509 0.000 1.126 232 R CA 1.755 57.520 56.100 -0.557 0.000 0.963 232 R CB -0.194 29.716 30.300 -0.651 0.000 0.858 232 R HN 0.252 nan 8.270 nan 0.000 0.435 233 T N 0.562 115.077 114.554 -0.065 0.000 2.643 233 T HA -0.127 4.223 4.350 -0.000 0.000 0.264 233 T C 1.841 176.701 174.700 0.267 0.000 1.045 233 T CA 1.506 63.795 62.100 0.315 0.000 1.155 233 T CB -0.394 68.804 68.868 0.550 0.000 0.863 233 T HN 0.447 nan 8.240 nan 0.000 0.420 234 A N 1.210 124.043 122.820 0.022 0.000 2.019 234 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 234 A C 2.506 180.075 177.584 -0.025 0.000 1.164 234 A CA 1.928 53.919 52.037 -0.077 0.000 0.644 234 A CB -1.108 17.602 19.000 -0.482 0.000 0.805 234 A HN 0.511 nan 8.150 nan 0.000 0.449 235 T N -1.066 113.428 114.554 -0.101 0.000 2.701 235 T HA -0.110 4.240 4.350 -0.000 0.000 0.263 235 T C 1.756 176.505 174.700 0.081 0.000 1.040 235 T CA 1.529 63.579 62.100 -0.082 0.000 1.147 235 T CB -0.444 68.301 68.868 -0.206 0.000 0.865 235 T HN 0.489 nan 8.240 nan 0.000 0.426 236 Y N 1.320 121.647 120.300 0.045 0.000 2.165 236 Y HA -0.033 4.516 4.550 -0.000 0.000 0.286 236 Y C 2.446 178.468 175.900 0.202 0.000 1.155 236 Y CA -0.378 57.792 58.100 0.117 0.000 1.164 236 Y CB -0.900 37.642 38.460 0.138 0.000 0.978 236 Y HN 0.154 nan 8.280 nan 0.000 0.513 237 I N -0.103 120.707 120.570 0.399 0.000 2.226 237 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 237 I C 2.459 178.684 176.117 0.181 0.000 1.100 237 I CA 2.155 63.620 61.300 0.274 0.000 1.374 237 I CB -1.770 36.395 38.000 0.276 0.000 1.057 237 I HN 0.328 nan 8.210 nan 0.000 0.413 238 T N -1.533 113.114 114.554 0.154 0.000 2.777 238 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 238 T C 1.705 176.473 174.700 0.113 0.000 1.040 238 T CA 1.080 63.247 62.100 0.113 0.000 1.141 238 T CB -0.489 68.427 68.868 0.079 0.000 0.868 238 T HN 0.366 nan 8.240 nan 0.000 0.444 239 E N 0.671 120.950 120.200 0.132 0.000 2.085 239 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 239 E C 2.104 178.767 176.600 0.104 0.000 0.994 239 E CA 0.981 57.458 56.400 0.129 0.000 0.801 239 E CB -0.264 29.523 29.700 0.144 0.000 0.743 239 E HN 0.255 nan 8.360 nan 0.000 0.453 240 L N 0.919 122.204 121.223 0.102 0.000 2.027 240 L HA -0.100 4.240 4.340 -0.000 0.000 0.206 240 L C 2.218 179.098 176.870 0.018 0.000 1.074 240 L CA 1.960 56.830 54.840 0.049 0.000 0.745 240 L CB -0.891 41.211 42.059 0.072 0.000 0.898 240 L HN 0.032 nan 8.230 nan 0.000 0.433 241 A N -0.497 122.353 122.820 0.050 0.000 1.902 241 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 241 A C 2.074 179.674 177.584 0.027 0.000 1.181 241 A CA 1.827 53.887 52.037 0.039 0.000 0.623 241 A CB -0.707 18.337 19.000 0.073 0.000 0.818 241 A HN 0.596 nan 8.150 nan 0.000 0.443 242 N N 0.551 119.285 118.700 0.057 0.000 2.084 242 N HA -0.132 4.608 4.740 -0.000 0.000 0.190 242 N C 1.952 177.432 175.510 -0.050 0.000 1.030 242 N CA 1.670 54.770 53.050 0.082 0.000 0.849 242 N CB -0.648 37.943 38.487 0.173 0.000 1.012 242 N HN 0.472 nan 8.380 nan 0.000 0.423 243 A N 1.505 124.210 122.820 -0.193 0.000 1.902 243 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 243 A C 2.435 179.910 177.584 -0.182 0.000 1.181 243 A CA 0.944 52.710 52.037 -0.452 0.000 0.623 243 A CB -0.775 18.085 19.000 -0.233 0.000 0.818 243 A HN 0.201 nan 8.150 nan 0.000 0.443 244 L N -0.784 120.351 121.223 -0.147 0.000 2.093 244 L HA -0.145 4.194 4.340 -0.000 0.000 0.208 244 L C 2.894 179.553 176.870 -0.351 0.000 1.085 244 L CA 1.386 56.052 54.840 -0.289 0.000 0.755 244 L CB -0.425 41.456 42.059 -0.297 0.000 0.904 244 L HN 0.494 nan 8.230 nan 0.000 0.435 245 S N -0.854 114.777 115.700 -0.116 0.000 2.368 245 S HA -0.262 4.208 4.470 -0.000 0.000 0.225 245 S C 2.024 176.664 174.600 0.066 0.000 1.030 245 S CA 1.279 59.486 58.200 0.012 0.000 0.999 245 S CB -0.309 62.934 63.200 0.073 0.000 0.844 245 S HN 0.469 nan 8.310 nan 0.000 0.459 246 Y N 1.487 121.747 120.300 -0.067 0.000 2.089 246 Y HA -0.193 4.357 4.550 -0.000 0.000 0.282 246 Y C 2.704 178.610 175.900 0.011 0.000 1.139 246 Y CA 1.749 59.836 58.100 -0.021 0.000 1.123 246 Y CB -1.065 37.338 38.460 -0.094 0.000 0.980 246 Y HN 0.385 nan 8.280 nan 0.000 0.493 247 C N 0.368 119.679 119.300 0.019 0.000 2.393 247 C HA -0.270 4.190 4.460 -0.000 0.000 0.276 247 C C 2.558 177.613 174.990 0.109 0.000 1.215 247 C CA 1.880 60.923 59.018 0.043 0.000 1.743 247 C CB -1.747 26.090 27.740 0.161 0.000 2.044 247 C HN 0.674 nan 8.230 nan 0.000 0.464 248 H N 0.643 119.738 119.070 0.041 0.000 2.421 248 H HA -0.124 4.432 4.556 -0.000 0.000 0.298 248 H C 2.472 177.807 175.328 0.012 0.000 1.087 248 H CA 1.406 57.479 56.048 0.041 0.000 1.330 248 H CB -0.082 29.715 29.762 0.058 0.000 1.388 248 H HN 0.636 nan 8.280 nan 0.000 0.526 249 S N 1.078 116.832 115.700 0.089 0.000 2.402 249 S HA -0.088 4.382 4.470 -0.000 0.000 0.229 249 S C 1.609 176.196 174.600 -0.022 0.000 1.021 249 S CA 0.823 59.036 58.200 0.023 0.000 0.974 249 S CB 0.002 63.199 63.200 -0.005 0.000 0.800 249 S HN 0.317 nan 8.310 nan 0.000 0.484 250 K N 0.407 120.765 120.400 -0.071 0.000 2.437 250 K HA 0.280 4.600 4.320 -0.000 0.000 0.198 250 K C 0.410 177.045 176.600 0.057 0.000 1.024 250 K CA -0.070 56.181 56.287 -0.060 0.000 1.148 250 K CB 0.089 32.487 32.500 -0.169 0.000 0.860 250 K HN 0.234 nan 8.250 nan 0.000 0.515 251 R N 0.056 120.610 120.500 0.090 0.000 3.953 251 R HA -0.148 4.192 4.340 -0.000 0.000 0.340 251 R C -0.912 175.500 176.300 0.186 0.000 1.195 251 R CA 0.482 56.661 56.100 0.131 0.000 0.929 251 R CB -2.309 28.058 30.300 0.112 0.000 1.402 251 R HN -0.014 nan 8.270 nan 0.000 0.540 252 V N 2.652 122.672 119.914 0.177 0.000 2.408 252 V HA 0.311 4.431 4.120 -0.000 0.000 0.267 252 V C 0.842 177.085 176.094 0.249 0.000 1.047 252 V CA 0.131 62.503 62.300 0.120 0.000 0.937 252 V CB 0.887 32.767 31.823 0.096 0.000 0.999 252 V HN 0.295 nan 8.190 nan 0.000 0.472 253 I N 2.047 122.713 120.570 0.159 0.000 2.339 253 I HA 0.463 4.633 4.170 -0.000 0.000 0.290 253 I C 1.143 177.369 176.117 0.182 0.000 0.994 253 I CA -0.422 61.014 61.300 0.226 0.000 1.191 253 I CB 1.156 39.223 38.000 0.112 0.000 1.343 253 I HN 0.595 nan 8.210 nan 0.000 0.458 254 H N 7.361 126.495 119.070 0.107 0.000 2.326 254 H HA -0.059 4.497 4.556 -0.000 0.000 0.301 254 H C 1.026 176.337 175.328 -0.028 0.000 1.081 254 H CA 2.387 58.389 56.048 -0.076 0.000 1.334 254 H CB 0.363 29.955 29.762 -0.283 0.000 1.385 254 H HN 0.854 nan 8.280 nan 0.000 0.504 255 R N -1.008 119.598 120.500 0.176 0.000 3.961 255 R HA -0.212 4.128 4.340 -0.000 0.000 0.457 255 R C -0.024 176.358 176.300 0.137 0.000 0.854 255 R CA 1.522 57.694 56.100 0.120 0.000 1.601 255 R CB -1.538 28.813 30.300 0.084 0.000 2.259 255 R HN 0.310 nan 8.270 nan 0.000 0.486 256 D N 0.526 121.070 120.400 0.240 0.000 2.788 256 D HA 0.304 4.943 4.640 -0.000 0.000 0.289 256 D C -0.493 175.814 176.300 0.013 0.000 1.340 256 D CA -0.300 53.765 54.000 0.108 0.000 0.831 256 D CB 0.258 41.032 40.800 -0.042 0.000 1.103 256 D HN 0.160 nan 8.370 nan 0.000 0.476 257 I N 2.241 122.766 120.570 -0.075 0.000 2.505 257 I HA 0.131 4.300 4.170 -0.000 0.000 0.287 257 I C 0.339 176.250 176.117 -0.343 0.000 1.104 257 I CA 0.520 61.647 61.300 -0.288 0.000 1.387 257 I CB 0.125 37.984 38.000 -0.234 0.000 1.404 257 I HN 0.032 nan 8.210 nan 0.000 0.528 258 K N 5.106 125.224 120.400 -0.470 0.000 2.587 258 K HA 0.412 4.731 4.320 -0.000 0.000 0.276 258 K C -2.893 173.473 176.600 -0.390 0.000 0.956 258 K CA -1.538 54.277 56.287 -0.786 0.000 0.857 258 K CB 1.256 33.088 32.500 -1.113 0.000 1.431 258 K HN -0.093 nan 8.250 nan 0.000 0.420 259 P HA -0.240 nan 4.420 nan 0.000 0.218 259 P C 0.294 177.628 177.300 0.055 0.000 1.152 259 P CA 1.609 64.743 63.100 0.057 0.000 0.857 259 P CB 0.146 31.977 31.700 0.220 0.000 0.787 260 E N -1.189 118.999 120.200 -0.020 0.000 2.204 260 E HA -0.117 4.232 4.350 -0.000 0.000 0.195 260 E C 1.195 177.728 176.600 -0.113 0.000 0.990 260 E CA 0.887 57.225 56.400 -0.104 0.000 0.821 260 E CB -0.644 28.917 29.700 -0.232 0.000 0.750 260 E HN 0.312 nan 8.360 nan 0.000 0.477 261 N N -0.121 118.494 118.700 -0.142 0.000 2.270 261 N HA 0.107 4.847 4.740 -0.000 0.000 0.198 261 N C -0.585 174.846 175.510 -0.131 0.000 1.117 261 N CA 0.198 53.165 53.050 -0.139 0.000 0.845 261 N CB 0.572 38.950 38.487 -0.181 0.000 0.980 261 N HN 0.123 nan 8.380 nan 0.000 0.486 262 L N 1.323 122.482 121.223 -0.107 0.000 2.294 262 L HA 0.469 4.809 4.340 -0.000 0.000 0.283 262 L C -0.340 176.474 176.870 -0.095 0.000 1.015 262 L CA -0.424 54.354 54.840 -0.103 0.000 0.831 262 L CB 1.364 43.373 42.059 -0.084 0.000 1.217 262 L HN -0.210 nan 8.230 nan 0.000 0.420 263 L N 3.939 125.108 121.223 -0.091 0.000 2.322 263 L HA 0.609 4.948 4.340 -0.000 0.000 0.269 263 L C -0.575 176.227 176.870 -0.114 0.000 1.012 263 L CA -0.626 54.162 54.840 -0.088 0.000 0.815 263 L CB 2.181 44.204 42.059 -0.060 0.000 1.295 263 L HN 0.434 nan 8.230 nan 0.000 0.438 264 L N 0.976 122.130 121.223 -0.116 0.000 2.313 264 L HA 0.584 4.924 4.340 -0.000 0.000 0.283 264 L C 0.538 177.338 176.870 -0.117 0.000 1.013 264 L CA -0.481 54.291 54.840 -0.112 0.000 0.816 264 L CB 1.559 43.556 42.059 -0.103 0.000 1.236 264 L HN 0.636 nan 8.230 nan 0.000 0.419 265 G N 0.406 109.152 108.800 -0.089 0.000 2.621 265 G HA2 0.236 4.196 3.960 -0.000 0.000 0.271 265 G HA3 0.236 4.196 3.960 -0.000 0.000 0.271 265 G C 0.955 175.802 174.900 -0.087 0.000 1.236 265 G CA 0.136 45.180 45.100 -0.093 0.000 0.958 265 G HN 0.716 nan 8.290 nan 0.000 0.512 266 S N -1.079 114.572 115.700 -0.081 0.000 2.442 266 S HA 0.011 4.481 4.470 -0.000 0.000 0.236 266 S C 1.891 176.466 174.600 -0.042 0.000 1.007 266 S CA 1.163 59.326 58.200 -0.062 0.000 0.965 266 S CB -0.039 63.131 63.200 -0.049 0.000 0.773 266 S HN 0.987 nan 8.310 nan 0.000 0.504 267 A N 0.518 123.316 122.820 -0.035 0.000 2.415 267 A HA 0.637 4.957 4.320 -0.000 0.000 0.248 267 A C 1.555 179.123 177.584 -0.027 0.000 1.299 267 A CA 0.190 52.209 52.037 -0.029 0.000 0.899 267 A CB -1.043 17.943 19.000 -0.024 0.000 0.997 267 A HN 1.372 nan 8.150 nan 0.000 0.506 268 G N 0.523 109.306 108.800 -0.028 0.000 2.155 268 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 268 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 268 G C -0.009 174.910 174.900 0.033 0.000 0.983 268 G CA 0.298 45.392 45.100 -0.010 0.000 0.676 268 G HN 0.926 nan 8.290 nan 0.000 0.528 269 E N 0.784 120.991 120.200 0.011 0.000 2.338 269 E HA 0.384 4.734 4.350 -0.000 0.000 0.272 269 E C 0.490 177.092 176.600 0.003 0.000 1.029 269 E CA -0.846 55.572 56.400 0.030 0.000 0.872 269 E CB 1.590 31.298 29.700 0.014 0.000 1.015 269 E HN 0.618 nan 8.360 nan 0.000 0.417 270 L N 2.661 123.892 121.223 0.013 0.000 2.416 270 L HA 0.212 4.552 4.340 -0.000 0.000 0.272 270 L C -0.376 176.480 176.870 -0.022 0.000 1.161 270 L CA 0.072 54.868 54.840 -0.074 0.000 0.845 270 L CB 0.332 42.338 42.059 -0.088 0.000 1.119 270 L HN 0.532 nan 8.230 nan 0.000 0.464 271 K N 6.277 126.652 120.400 -0.041 0.000 2.507 271 K HA 0.475 4.795 4.320 -0.000 0.000 0.251 271 K C -1.248 175.355 176.600 0.004 0.000 0.943 271 K CA -0.549 55.742 56.287 0.006 0.000 0.794 271 K CB 2.113 34.617 32.500 0.007 0.000 1.188 271 K HN 0.503 nan 8.250 nan 0.000 0.428 272 I N 2.481 123.083 120.570 0.054 0.000 2.441 272 I HA 0.380 4.550 4.170 -0.000 0.000 0.287 272 I C 0.306 176.551 176.117 0.214 0.000 1.049 272 I CA -0.254 61.070 61.300 0.039 0.000 1.381 272 I CB 1.190 39.179 38.000 -0.020 0.000 1.409 272 I HN 0.633 nan 8.210 nan 0.000 0.523 273 A N 3.856 126.748 122.820 0.119 0.000 2.414 273 A HA 0.634 4.954 4.320 -0.000 0.000 0.278 273 A C -0.542 177.175 177.584 0.221 0.000 1.228 273 A CA -0.529 51.633 52.037 0.208 0.000 0.857 273 A CB 0.723 19.770 19.000 0.079 0.000 1.389 273 A HN 0.773 nan 8.150 nan 0.000 0.452 274 D N -1.261 119.263 120.400 0.207 0.000 2.828 274 D HA -0.146 4.494 4.640 -0.000 0.000 0.241 274 D C -0.407 175.903 176.300 0.017 0.000 1.142 274 D CA 0.887 54.950 54.000 0.106 0.000 0.755 274 D CB -1.493 39.299 40.800 -0.012 0.000 1.014 274 D HN 0.414 nan 8.370 nan 0.000 0.420 275 F N 0.070 119.993 119.950 -0.045 0.000 2.725 275 F HA 0.227 4.754 4.527 -0.000 0.000 0.303 275 F C 2.305 178.033 175.800 -0.120 0.000 1.167 275 F CA 0.405 58.272 58.000 -0.222 0.000 1.403 275 F CB 0.097 39.031 39.000 -0.110 0.000 1.077 275 F HN 0.290 nan 8.300 nan 0.000 0.537 276 G N -0.256 108.629 108.800 0.141 0.000 2.421 276 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 276 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 276 G C 1.492 176.501 174.900 0.181 0.000 1.171 276 G CA 0.197 45.423 45.100 0.209 0.000 0.775 276 G HN 0.503 nan 8.290 nan 0.000 0.543 277 W N 2.035 123.227 121.300 -0.180 0.000 3.077 277 W HA 0.155 4.815 4.660 -0.000 0.000 0.245 277 W C 1.131 177.559 176.519 -0.152 0.000 1.316 277 W CA 0.348 57.609 57.345 -0.140 0.000 1.537 277 W CB -0.047 29.344 29.460 -0.116 0.000 1.131 277 W HN 0.227 nan 8.180 nan 0.000 0.695 278 S N 0.755 116.433 115.700 -0.037 0.000 2.564 278 S HA 0.438 4.908 4.470 -0.000 0.000 0.278 278 S C -0.439 174.127 174.600 -0.056 0.000 1.333 278 S CA -0.409 57.747 58.200 -0.073 0.000 1.048 278 S CB 1.982 65.142 63.200 -0.066 0.000 0.900 278 S HN -0.121 nan 8.310 nan 0.000 0.505 279 V N 2.405 122.284 119.914 -0.059 0.000 3.160 279 V HA 0.461 4.581 4.120 -0.000 0.000 0.310 279 V C -0.604 175.394 176.094 -0.160 0.000 1.181 279 V CA -1.027 61.228 62.300 -0.075 0.000 1.047 279 V CB 1.999 33.845 31.823 0.038 0.000 1.068 279 V HN 1.062 nan 8.190 nan 0.000 0.441 293 L N 0.657 121.879 121.223 -0.001 0.000 2.446 293 L HA 0.099 4.439 4.340 -0.000 0.000 0.219 293 L C 2.032 178.866 176.870 -0.062 0.000 1.116 293 L CA 0.286 55.082 54.840 -0.074 0.000 0.844 293 L CB -0.287 41.624 42.059 -0.246 0.000 0.970 293 L HN 0.682 nan 8.230 nan 0.000 0.457 294 D N 0.860 121.208 120.400 -0.088 0.000 2.248 294 D HA -0.265 4.375 4.640 -0.000 0.000 0.191 294 D C 1.410 177.459 176.300 -0.418 0.000 1.013 294 D CA 2.146 55.973 54.000 -0.288 0.000 0.883 294 D CB -0.078 40.435 40.800 -0.478 0.000 0.915 294 D HN 0.458 nan 8.370 nan 0.000 0.448 295 Y N -0.577 119.785 120.300 0.103 0.000 2.467 295 Y HA 0.292 4.842 4.550 -0.000 0.000 0.250 295 Y C 0.813 176.838 175.900 0.209 0.000 1.155 295 Y CA -0.338 57.849 58.100 0.145 0.000 1.249 295 Y CB 0.301 38.792 38.460 0.053 0.000 1.146 295 Y HN -0.181 nan 8.280 nan 0.000 0.524 296 L N 4.361 125.679 121.223 0.158 0.000 2.349 296 L HA 0.270 4.609 4.340 -0.000 0.000 0.275 296 L C -2.119 174.522 176.870 -0.381 0.000 1.115 296 L CA -2.011 52.797 54.840 -0.053 0.000 0.820 296 L CB 0.577 42.570 42.059 -0.111 0.000 1.135 296 L HN -0.131 nan 8.230 nan 0.000 0.445 297 P HA 0.203 nan 4.420 nan 0.000 0.276 297 P C -2.362 174.278 177.300 -1.100 0.000 1.261 297 P CA -1.679 60.427 63.100 -1.656 0.000 0.800 297 P CB 0.314 31.355 31.700 -1.098 0.000 1.066 298 P HA -0.183 nan 4.420 nan 0.000 0.216 298 P C 1.274 178.238 177.300 -0.560 0.000 1.150 298 P CA 1.712 64.323 63.100 -0.814 0.000 0.837 298 P CB -0.138 31.000 31.700 -0.936 0.000 0.786 299 E N -1.133 118.764 120.200 -0.504 0.000 2.097 299 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 299 E C 2.076 178.551 176.600 -0.208 0.000 1.000 299 E CA 1.415 57.650 56.400 -0.276 0.000 0.804 299 E CB -0.816 28.774 29.700 -0.184 0.000 0.740 299 E HN 0.265 nan 8.360 nan 0.000 0.454 300 M N -0.020 119.391 119.600 -0.315 0.000 2.134 300 M HA 0.001 4.481 4.480 -0.000 0.000 0.262 300 M C 2.632 178.829 176.300 -0.171 0.000 1.076 300 M CA 1.120 56.250 55.300 -0.285 0.000 1.143 300 M CB -0.537 31.837 32.600 -0.376 0.000 1.346 300 M HN 0.201 nan 8.290 nan 0.000 0.421 301 I N -1.006 119.422 120.570 -0.236 0.000 2.361 301 I HA -0.206 3.964 4.170 -0.000 0.000 0.251 301 I C 1.429 177.547 176.117 0.002 0.000 1.133 301 I CA 1.754 62.960 61.300 -0.157 0.000 1.413 301 I CB -0.517 37.246 38.000 -0.394 0.000 1.073 301 I HN 0.256 nan 8.210 nan 0.000 0.424 302 E N 1.264 121.411 120.200 -0.088 0.000 2.489 302 E HA 0.150 4.500 4.350 -0.000 0.000 0.193 302 E C 1.355 177.979 176.600 0.040 0.000 1.057 302 E CA 0.458 56.875 56.400 0.028 0.000 0.866 302 E CB 0.116 29.791 29.700 -0.042 0.000 0.916 302 E HN 0.751 nan 8.360 nan 0.000 0.500 303 G N 2.369 111.184 108.800 0.024 0.000 2.221 303 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.265 303 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.265 303 G C 0.088 175.014 174.900 0.043 0.000 1.041 303 G CA 0.329 45.456 45.100 0.044 0.000 0.807 303 G HN 0.148 nan 8.290 nan 0.000 0.502 304 R N -0.841 119.679 120.500 0.033 0.000 2.541 304 R HA 0.661 5.001 4.340 -0.000 0.000 0.254 304 R C 1.080 177.420 176.300 0.066 0.000 1.130 304 R CA -0.925 55.191 56.100 0.026 0.000 1.152 304 R CB 0.411 30.704 30.300 -0.011 0.000 1.222 304 R HN 0.318 nan 8.270 nan 0.000 0.579 305 M N 3.046 122.648 119.600 0.003 0.000 2.239 305 M HA 0.053 4.532 4.480 -0.000 0.000 0.348 305 M C -0.774 175.512 176.300 -0.023 0.000 1.239 305 M CA 0.654 55.914 55.300 -0.066 0.000 1.114 305 M CB 0.229 32.788 32.600 -0.068 0.000 1.641 305 M HN 0.726 nan 8.290 nan 0.000 0.453 306 H N 2.399 121.436 119.070 -0.054 0.000 2.980 306 H HA 0.679 5.235 4.556 -0.000 0.000 0.367 306 H C -1.715 173.583 175.328 -0.050 0.000 1.206 306 H CA -0.795 55.215 56.048 -0.064 0.000 1.126 306 H CB 1.552 31.268 29.762 -0.078 0.000 1.838 306 H HN 0.721 nan 8.280 nan 0.000 0.552 307 D N 0.705 121.150 120.400 0.074 0.000 3.096 307 D HA 0.058 4.698 4.640 -0.000 0.000 0.277 307 D C 0.573 176.863 176.300 -0.017 0.000 1.256 307 D CA -0.575 53.426 54.000 0.001 0.000 1.044 307 D CB 0.261 41.037 40.800 -0.040 0.000 1.318 307 D HN 0.445 nan 8.370 nan 0.000 0.622 308 E N -0.285 119.823 120.200 -0.154 0.000 2.209 308 E HA -0.106 4.244 4.350 -0.000 0.000 0.196 308 E C 1.514 178.020 176.600 -0.156 0.000 0.993 308 E CA 1.134 57.285 56.400 -0.414 0.000 0.819 308 E CB -0.109 29.151 29.700 -0.734 0.000 0.745 308 E HN 0.263 nan 8.360 nan 0.000 0.477 309 K N 0.251 120.629 120.400 -0.036 0.000 2.442 309 K HA -0.039 4.281 4.320 -0.000 0.000 0.198 309 K C 1.820 178.476 176.600 0.095 0.000 1.044 309 K CA 0.344 56.661 56.287 0.050 0.000 0.948 309 K CB -0.203 32.323 32.500 0.043 0.000 0.762 309 K HN 0.123 nan 8.250 nan 0.000 0.472 310 V N 1.876 121.832 119.914 0.071 0.000 2.358 310 V HA -0.217 3.902 4.120 -0.000 0.000 0.246 310 V C 1.482 177.674 176.094 0.163 0.000 1.047 310 V CA 1.866 64.206 62.300 0.068 0.000 1.035 310 V CB -0.281 31.553 31.823 0.017 0.000 0.658 310 V HN 0.239 nan 8.190 nan 0.000 0.452 311 D N -0.407 120.107 120.400 0.190 0.000 2.269 311 D HA -0.053 4.587 4.640 -0.000 0.000 0.208 311 D C 2.033 178.443 176.300 0.183 0.000 0.963 311 D CA 0.591 54.716 54.000 0.208 0.000 0.864 311 D CB -0.007 40.982 40.800 0.315 0.000 0.936 311 D HN 0.225 nan 8.370 nan 0.000 0.505 312 L N -0.005 121.338 121.223 0.201 0.000 2.109 312 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 312 L C 2.246 179.206 176.870 0.148 0.000 1.086 312 L CA 0.959 55.894 54.840 0.158 0.000 0.760 312 L CB -1.049 41.103 42.059 0.155 0.000 0.910 312 L HN 0.327 nan 8.230 nan 0.000 0.437 313 W N 1.004 122.310 121.300 0.009 0.000 2.354 313 W HA -0.203 4.457 4.660 -0.000 0.000 0.315 313 W C 2.373 178.887 176.519 -0.010 0.000 1.206 313 W CA 1.660 58.997 57.345 -0.013 0.000 1.290 313 W CB -0.220 29.218 29.460 -0.037 0.000 1.152 313 W HN 0.116 nan 8.180 nan 0.000 0.489 314 S N 1.504 117.353 115.700 0.248 0.000 2.370 314 S HA -0.247 4.222 4.470 -0.000 0.000 0.226 314 S C 1.723 176.318 174.600 -0.009 0.000 1.033 314 S CA 1.644 59.940 58.200 0.160 0.000 1.011 314 S CB -0.863 62.439 63.200 0.169 0.000 0.852 314 S HN 0.234 nan 8.310 nan 0.000 0.457 315 L N 1.872 123.076 121.223 -0.032 0.000 2.046 315 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 315 L C 2.306 179.083 176.870 -0.155 0.000 1.077 315 L CA 1.872 56.666 54.840 -0.078 0.000 0.747 315 L CB -1.267 40.783 42.059 -0.015 0.000 0.896 315 L HN 0.333 nan 8.230 nan 0.000 0.432 316 G N -1.652 107.024 108.800 -0.207 0.000 2.408 316 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 316 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 316 G C 1.516 176.174 174.900 -0.403 0.000 1.150 316 G CA 0.931 45.840 45.100 -0.319 0.000 0.776 316 G HN 0.315 nan 8.290 nan 0.000 0.542 317 V N 0.985 120.647 119.914 -0.419 0.000 2.307 317 V HA -0.063 4.056 4.120 -0.000 0.000 0.245 317 V C 2.814 178.773 176.094 -0.224 0.000 1.045 317 V CA 0.904 62.979 62.300 -0.375 0.000 1.024 317 V CB -0.349 31.334 31.823 -0.233 0.000 0.651 317 V HN 0.201 nan 8.190 nan 0.000 0.449 318 L N -0.505 120.580 121.223 -0.230 0.000 2.046 318 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 318 L C 2.683 179.107 176.870 -0.744 0.000 1.077 318 L CA 2.198 56.726 54.840 -0.521 0.000 0.747 318 L CB -1.505 40.197 42.059 -0.594 0.000 0.896 318 L HN 0.531 nan 8.230 nan 0.000 0.432 319 C N -0.940 118.118 119.300 -0.403 0.000 2.413 319 C HA -0.266 4.194 4.460 -0.000 0.000 0.276 319 C C 2.903 177.846 174.990 -0.079 0.000 1.248 319 C CA 0.730 59.643 59.018 -0.176 0.000 1.742 319 C CB -0.816 26.860 27.740 -0.107 0.000 2.017 319 C HN 0.577 nan 8.230 nan 0.000 0.481 320 Y N 1.352 121.502 120.300 -0.251 0.000 2.163 320 Y HA -0.100 4.450 4.550 -0.000 0.000 0.288 320 Y C 2.449 178.273 175.900 -0.127 0.000 1.136 320 Y CA 2.373 60.352 58.100 -0.201 0.000 1.147 320 Y CB -0.698 37.542 38.460 -0.367 0.000 0.987 320 Y HN 0.461 nan 8.280 nan 0.000 0.509 321 E N -0.610 119.648 120.200 0.098 0.000 2.077 321 E HA -0.199 4.150 4.350 -0.000 0.000 0.193 321 E C 1.967 178.628 176.600 0.101 0.000 0.989 321 E CA 1.417 57.870 56.400 0.088 0.000 0.800 321 E CB -0.299 29.450 29.700 0.081 0.000 0.746 321 E HN 0.424 nan 8.360 nan 0.000 0.452 322 F N 0.672 120.599 119.950 -0.038 0.000 2.126 322 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 322 F C 2.170 177.911 175.800 -0.098 0.000 1.096 322 F CA 0.933 58.867 58.000 -0.110 0.000 1.255 322 F CB -0.827 38.326 39.000 0.254 0.000 0.997 322 F HN 0.100 nan 8.300 nan 0.000 0.479 323 L N -1.359 119.974 121.223 0.184 0.000 2.131 323 L HA -0.088 4.252 4.340 -0.000 0.000 0.206 323 L C 2.138 179.094 176.870 0.144 0.000 1.087 323 L CA 0.450 55.378 54.840 0.146 0.000 0.767 323 L CB -0.481 41.632 42.059 0.089 0.000 0.917 323 L HN -0.101 nan 8.230 nan 0.000 0.441 324 V N -1.066 118.836 119.914 -0.019 0.000 2.795 324 V HA 0.253 4.373 4.120 -0.000 0.000 0.243 324 V C 1.672 177.805 176.094 0.065 0.000 1.069 324 V CA 1.155 63.475 62.300 0.033 0.000 1.089 324 V CB 0.155 31.748 31.823 -0.384 0.000 0.756 324 V HN 0.599 nan 8.190 nan 0.000 0.471 325 G N 1.146 109.941 108.800 -0.008 0.000 2.195 325 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.224 325 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.224 325 G C 0.181 175.074 174.900 -0.010 0.000 0.990 325 G CA 0.216 45.287 45.100 -0.048 0.000 0.639 325 G HN 0.702 nan 8.290 nan 0.000 0.514 326 K N -0.006 120.422 120.400 0.047 0.000 2.502 326 K HA 0.693 5.013 4.320 -0.000 0.000 0.257 326 K C -3.322 173.338 176.600 0.099 0.000 0.938 326 K CA -2.241 54.082 56.287 0.060 0.000 0.819 326 K CB 3.407 35.941 32.500 0.056 0.000 1.333 326 K HN 0.024 nan 8.250 nan 0.000 0.434 327 P HA 0.068 nan 4.420 nan 0.000 0.271 327 P C -1.926 175.139 177.300 -0.392 0.000 1.218 327 P CA -1.201 61.795 63.100 -0.173 0.000 0.780 327 P CB 0.464 31.976 31.700 -0.313 0.000 0.901 328 P HA -0.097 nan 4.420 nan 0.000 0.219 328 P C 0.552 177.168 177.300 -1.141 0.000 1.146 328 P CA 1.578 63.704 63.100 -1.624 0.000 0.808 328 P CB -0.147 30.107 31.700 -2.409 0.000 0.779 329 F N -0.688 119.054 119.950 -0.346 0.000 2.668 329 F HA 0.295 4.822 4.527 -0.000 0.000 0.301 329 F C 1.133 176.843 175.800 -0.149 0.000 1.106 329 F CA -0.797 57.084 58.000 -0.198 0.000 1.289 329 F CB -0.046 38.863 39.000 -0.151 0.000 1.006 329 F HN -0.168 nan 8.300 nan 0.000 0.535 330 E N 2.062 122.226 120.200 -0.061 0.000 2.442 330 E HA 0.391 4.741 4.350 -0.000 0.000 0.262 330 E C -0.277 176.327 176.600 0.007 0.000 1.004 330 E CA 0.058 56.441 56.400 -0.028 0.000 0.928 330 E CB 0.747 30.424 29.700 -0.038 0.000 0.937 330 E HN 0.319 nan 8.360 nan 0.000 0.446 331 A N 3.575 126.408 122.820 0.022 0.000 2.612 331 A HA 0.228 4.548 4.320 -0.000 0.000 0.293 331 A C -0.260 177.348 177.584 0.040 0.000 1.075 331 A CA -0.642 51.414 52.037 0.032 0.000 0.680 331 A CB 1.143 20.168 19.000 0.041 0.000 1.279 331 A HN 0.784 nan 8.150 nan 0.000 0.411 332 N N -0.373 118.352 118.700 0.041 0.000 2.512 332 N HA 0.039 4.779 4.740 -0.000 0.000 0.183 332 N C 0.506 176.052 175.510 0.060 0.000 1.073 332 N CA 1.414 54.492 53.050 0.046 0.000 0.911 332 N CB 0.253 38.763 38.487 0.037 0.000 0.964 332 N HN 0.829 nan 8.380 nan 0.000 0.447 333 T N -4.224 110.372 114.554 0.071 0.000 2.916 333 T HA 0.144 4.494 4.350 -0.000 0.000 0.292 333 T C 0.480 175.267 174.700 0.145 0.000 1.055 333 T CA -0.911 61.250 62.100 0.103 0.000 1.009 333 T CB 1.327 70.248 68.868 0.088 0.000 1.118 333 T HN 0.109 nan 8.240 nan 0.000 0.497 334 Y N 1.543 121.866 120.300 0.038 0.000 2.181 334 Y HA -0.133 4.417 4.550 -0.000 0.000 0.288 334 Y C 2.561 178.505 175.900 0.073 0.000 1.146 334 Y CA 1.722 59.855 58.100 0.054 0.000 1.164 334 Y CB -0.116 38.367 38.460 0.038 0.000 0.982 334 Y HN 0.736 nan 8.280 nan 0.000 0.515 335 Q N 0.487 120.464 119.800 0.295 0.000 2.084 335 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 335 Q C 2.127 178.201 176.000 0.123 0.000 0.978 335 Q CA 2.108 58.020 55.803 0.182 0.000 0.844 335 Q CB -0.148 28.659 28.738 0.115 0.000 0.898 335 Q HN 0.585 nan 8.270 nan 0.000 0.426 336 E N -0.487 119.771 120.200 0.096 0.000 2.031 336 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 336 E C 2.026 178.662 176.600 0.059 0.000 0.994 336 E CA 1.582 58.025 56.400 0.071 0.000 0.800 336 E CB -0.052 29.683 29.700 0.058 0.000 0.752 336 E HN 0.310 nan 8.360 nan 0.000 0.447 337 T N 0.513 115.089 114.554 0.037 0.000 2.665 337 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 337 T C 1.600 176.263 174.700 -0.063 0.000 1.035 337 T CA 1.530 63.626 62.100 -0.007 0.000 1.151 337 T CB -0.540 68.305 68.868 -0.039 0.000 0.862 337 T HN 0.284 nan 8.240 nan 0.000 0.438 338 Y N 1.852 122.027 120.300 -0.209 0.000 2.128 338 Y HA -0.204 4.346 4.550 -0.000 0.000 0.284 338 Y C 2.570 178.381 175.900 -0.149 0.000 1.154 338 Y CA 1.785 59.746 58.100 -0.231 0.000 1.149 338 Y CB -0.126 38.203 38.460 -0.217 0.000 0.976 338 Y HN 0.028 nan 8.280 nan 0.000 0.505 339 K N 0.047 120.531 120.400 0.139 0.000 2.009 339 K HA -0.246 4.074 4.320 -0.000 0.000 0.210 339 K C 2.263 178.846 176.600 -0.029 0.000 1.049 339 K CA 1.944 58.279 56.287 0.081 0.000 0.929 339 K CB -0.178 32.374 32.500 0.087 0.000 0.714 339 K HN 0.321 nan 8.250 nan 0.000 0.440 340 R N 0.194 120.681 120.500 -0.022 0.000 2.096 340 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 340 R C 2.371 178.553 176.300 -0.197 0.000 1.127 340 R CA 1.544 57.651 56.100 0.011 0.000 0.968 340 R CB -0.305 30.085 30.300 0.149 0.000 0.861 340 R HN 0.246 nan 8.270 nan 0.000 0.440 341 I N 0.472 120.773 120.570 -0.448 0.000 2.133 341 I HA -0.283 3.887 4.170 -0.000 0.000 0.238 341 I C 2.533 178.349 176.117 -0.501 0.000 1.074 341 I CA 1.590 62.427 61.300 -0.771 0.000 1.342 341 I CB -0.397 37.204 38.000 -0.664 0.000 1.053 341 I HN 0.199 nan 8.210 nan 0.000 0.404 342 S N 0.959 116.398 115.700 -0.435 0.000 2.419 342 S HA -0.193 4.277 4.470 -0.000 0.000 0.235 342 S C 1.959 176.525 174.600 -0.056 0.000 1.019 342 S CA 1.102 59.136 58.200 -0.277 0.000 0.982 342 S CB -0.488 62.529 63.200 -0.304 0.000 0.789 342 S HN 0.426 nan 8.310 nan 0.000 0.490 343 R N 0.377 120.836 120.500 -0.067 0.000 2.362 343 R HA 0.360 4.700 4.340 -0.000 0.000 0.227 343 R C -0.103 176.229 176.300 0.052 0.000 0.905 343 R CA 0.351 56.444 56.100 -0.011 0.000 1.067 343 R CB 0.324 30.614 30.300 -0.017 0.000 1.078 343 R HN 0.230 nan 8.270 nan 0.000 0.516 344 V N 2.058 122.022 119.914 0.084 0.000 5.949 344 V HA -0.254 3.866 4.120 -0.000 0.000 0.287 344 V C -0.447 175.870 176.094 0.371 0.000 0.603 344 V CA 1.224 63.710 62.300 0.310 0.000 0.608 344 V CB -1.765 30.318 31.823 0.432 0.000 0.259 344 V HN 0.428 nan 8.190 nan 0.000 0.742 345 E N 1.520 121.939 120.200 0.364 0.000 1.993 345 E HA 0.614 4.964 4.350 -0.000 0.000 0.271 345 E C -0.246 176.479 176.600 0.209 0.000 1.008 345 E CA -0.415 56.088 56.400 0.172 0.000 0.814 345 E CB 0.747 30.502 29.700 0.092 0.000 1.098 345 E HN 0.688 nan 8.360 nan 0.000 0.407 346 F N -0.192 119.683 119.950 -0.126 0.000 2.613 346 F HA 0.691 5.217 4.527 -0.000 0.000 0.310 346 F C -0.710 174.835 175.800 -0.425 0.000 1.085 346 F CA -0.976 56.766 58.000 -0.430 0.000 0.945 346 F CB 1.419 39.879 39.000 -0.900 0.000 1.298 346 F HN 0.052 nan 8.300 nan 0.000 0.455 347 T N -0.676 113.685 114.554 -0.322 0.000 2.906 347 T HA 0.719 5.069 4.350 -0.000 0.000 0.295 347 T C -1.334 173.273 174.700 -0.154 0.000 1.061 347 T CA -0.660 61.254 62.100 -0.309 0.000 1.000 347 T CB 1.653 70.423 68.868 -0.163 0.000 1.103 347 T HN 0.491 nan 8.240 nan 0.000 0.486 348 F N 1.729 121.713 119.950 0.058 0.000 2.404 348 F HA 0.580 5.107 4.527 -0.000 0.000 0.339 348 F C -1.945 173.739 175.800 -0.192 0.000 1.105 348 F CA -2.174 55.801 58.000 -0.042 0.000 1.087 348 F CB 0.494 39.447 39.000 -0.079 0.000 1.143 348 F HN 0.398 nan 8.300 nan 0.000 0.491 349 P HA 0.123 nan 4.420 nan 0.000 0.272 349 P C 0.297 177.364 177.300 -0.387 0.000 1.230 349 P CA -0.245 62.626 63.100 -0.381 0.000 0.788 349 P CB 0.784 31.985 31.700 -0.833 0.000 0.949 350 D N 0.488 120.767 120.400 -0.201 0.000 2.133 350 D HA -0.172 4.467 4.640 -0.000 0.000 0.195 350 D C 1.560 177.819 176.300 -0.068 0.000 0.997 350 D CA 1.464 55.416 54.000 -0.081 0.000 0.840 350 D CB -0.557 40.255 40.800 0.020 0.000 0.947 350 D HN 0.533 nan 8.370 nan 0.000 0.452 351 F N 0.343 120.283 119.950 -0.016 0.000 2.583 351 F HA 0.032 4.559 4.527 -0.000 0.000 0.297 351 F C 0.735 176.508 175.800 -0.045 0.000 1.131 351 F CA -0.133 57.853 58.000 -0.023 0.000 1.467 351 F CB -0.924 38.065 39.000 -0.018 0.000 1.097 351 F HN -0.326 nan 8.300 nan 0.000 0.586 352 V N 1.935 121.678 119.914 -0.284 0.000 2.427 352 V HA 0.090 4.209 4.120 -0.000 0.000 0.268 352 V C 0.771 176.724 176.094 -0.235 0.000 1.046 352 V CA -0.440 61.699 62.300 -0.268 0.000 0.970 352 V CB 0.439 32.019 31.823 -0.405 0.000 1.001 352 V HN 0.239 nan 8.190 nan 0.000 0.476 353 T N 3.862 118.320 114.554 -0.160 0.000 2.900 353 T HA 0.003 4.353 4.350 -0.000 0.000 0.307 353 T C 1.366 175.916 174.700 -0.250 0.000 1.065 353 T CA 0.134 62.168 62.100 -0.110 0.000 1.105 353 T CB 0.725 69.635 68.868 0.072 0.000 0.979 353 T HN 0.949 nan 8.240 nan 0.000 0.544 354 E N 2.021 122.131 120.200 -0.150 0.000 2.058 354 E HA -0.171 4.178 4.350 -0.000 0.000 0.194 354 E C 2.187 178.684 176.600 -0.172 0.000 0.997 354 E CA 1.560 57.868 56.400 -0.153 0.000 0.801 354 E CB -0.522 29.144 29.700 -0.057 0.000 0.746 354 E HN 0.850 nan 8.360 nan 0.000 0.450 355 G N 0.619 109.369 108.800 -0.084 0.000 2.418 355 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 355 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 355 G C 1.665 176.266 174.900 -0.498 0.000 1.158 355 G CA 1.126 46.224 45.100 -0.003 0.000 0.771 355 G HN 0.434 nan 8.290 nan 0.000 0.545 356 A N 0.810 122.949 122.820 -1.135 0.000 1.873 356 A HA 0.029 4.349 4.320 -0.000 0.000 0.215 356 A C 2.425 179.506 177.584 -0.838 0.000 1.186 356 A CA 1.634 52.780 52.037 -1.485 0.000 0.616 356 A CB -0.416 17.836 19.000 -1.247 0.000 0.823 356 A HN 0.335 nan 8.150 nan 0.000 0.442 357 R N -0.537 119.493 120.500 -0.783 0.000 2.096 357 R HA -0.197 4.143 4.340 -0.000 0.000 0.240 357 R C 2.038 178.113 176.300 -0.375 0.000 1.139 357 R CA 1.837 57.365 56.100 -0.954 0.000 0.952 357 R CB -0.478 29.258 30.300 -0.940 0.000 0.854 357 R HN 0.714 nan 8.270 nan 0.000 0.436 358 D N 0.345 120.598 120.400 -0.245 0.000 2.084 358 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 358 D C 1.846 178.108 176.300 -0.065 0.000 0.990 358 D CA 0.943 54.914 54.000 -0.048 0.000 0.826 358 D CB -0.005 40.845 40.800 0.084 0.000 0.971 358 D HN 0.063 nan 8.370 nan 0.000 0.453 359 L N 0.282 121.327 121.223 -0.297 0.000 1.989 359 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 359 L C 2.392 179.119 176.870 -0.238 0.000 1.071 359 L CA 1.365 55.921 54.840 -0.474 0.000 0.749 359 L CB -0.417 41.214 42.059 -0.714 0.000 0.890 359 L HN 0.252 nan 8.230 nan 0.000 0.431 360 I N -0.618 119.822 120.570 -0.217 0.000 2.163 360 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 360 I C 2.556 178.654 176.117 -0.032 0.000 1.085 360 I CA 1.489 62.713 61.300 -0.126 0.000 1.347 360 I CB -0.338 37.662 38.000 -0.001 0.000 1.044 360 I HN 0.193 nan 8.210 nan 0.000 0.408 361 S N 0.219 116.010 115.700 0.151 0.000 2.399 361 S HA -0.146 4.324 4.470 -0.000 0.000 0.231 361 S C 2.034 176.714 174.600 0.133 0.000 1.022 361 S CA 1.176 59.524 58.200 0.247 0.000 0.983 361 S CB -0.276 63.086 63.200 0.270 0.000 0.803 361 S HN 0.388 nan 8.310 nan 0.000 0.480 362 R N 0.084 120.624 120.500 0.067 0.000 2.119 362 R HA 0.114 4.454 4.340 -0.000 0.000 0.222 362 R C 1.618 177.948 176.300 0.049 0.000 1.088 362 R CA 0.640 56.779 56.100 0.066 0.000 0.984 362 R CB -0.176 30.164 30.300 0.066 0.000 0.884 362 R HN 0.250 nan 8.270 nan 0.000 0.447 363 L N 0.386 121.600 121.223 -0.015 0.000 2.162 363 L HA 0.048 4.388 4.340 -0.000 0.000 0.205 363 L C 1.078 177.909 176.870 -0.064 0.000 1.086 363 L CA 1.295 56.113 54.840 -0.038 0.000 0.778 363 L CB -0.366 41.622 42.059 -0.119 0.000 0.928 363 L HN 0.132 nan 8.230 nan 0.000 0.446 364 L N 1.426 122.549 121.223 -0.166 0.000 2.480 364 L HA 0.121 4.461 4.340 -0.000 0.000 0.243 364 L C 0.007 176.978 176.870 0.168 0.000 1.315 364 L CA -0.040 54.626 54.840 -0.290 0.000 1.231 364 L CB -0.433 41.260 42.059 -0.609 0.000 1.444 364 L HN -0.008 nan 8.230 nan 0.000 0.409 365 K N -0.079 120.517 120.400 0.327 0.000 2.274 365 K HA 0.150 4.470 4.320 -0.000 0.000 0.262 365 K C 0.528 177.372 176.600 0.406 0.000 0.961 365 K CA -0.602 55.886 56.287 0.335 0.000 0.833 365 K CB 2.113 34.742 32.500 0.215 0.000 1.102 365 K HN 0.193 nan 8.250 nan 0.000 0.436 366 H N 1.951 121.164 119.070 0.239 0.000 2.353 366 H HA -0.129 4.427 4.556 -0.000 0.000 0.298 366 H C 0.507 175.841 175.328 0.011 0.000 1.103 366 H CA 1.667 57.754 56.048 0.065 0.000 1.293 366 H CB 0.375 30.148 29.762 0.019 0.000 1.372 366 H HN 0.408 nan 8.280 nan 0.000 0.501 367 N N 0.594 119.417 118.700 0.204 0.000 2.405 367 N HA -0.015 4.724 4.740 -0.000 0.000 0.260 367 N C -1.910 173.643 175.510 0.071 0.000 1.152 367 N CA -1.527 51.596 53.050 0.123 0.000 0.948 367 N CB 1.137 39.699 38.487 0.125 0.000 1.111 367 N HN 0.215 nan 8.380 nan 0.000 0.485 368 P HA -0.159 nan 4.420 nan 0.000 0.216 368 P C 1.217 178.546 177.300 0.048 0.000 1.153 368 P CA 1.518 64.632 63.100 0.023 0.000 0.858 368 P CB 0.110 31.802 31.700 -0.012 0.000 0.789 369 S N -1.469 114.256 115.700 0.043 0.000 2.474 369 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 369 S C 1.813 176.448 174.600 0.059 0.000 0.997 369 S CA 0.724 58.951 58.200 0.045 0.000 0.949 369 S CB -0.934 62.287 63.200 0.036 0.000 0.766 369 S HN 0.089 nan 8.310 nan 0.000 0.517 370 Q N 1.052 120.896 119.800 0.072 0.000 2.311 370 Q HA 0.204 4.544 4.340 -0.000 0.000 0.203 370 Q C 0.487 176.542 176.000 0.092 0.000 0.954 370 Q CA 0.430 56.282 55.803 0.082 0.000 0.885 370 Q CB -0.225 28.568 28.738 0.092 0.000 0.963 370 Q HN 0.631 nan 8.270 nan 0.000 0.471 371 R N 2.358 122.918 120.500 0.101 0.000 2.537 371 R HA 0.099 4.439 4.340 -0.000 0.000 0.280 371 R C -2.039 174.316 176.300 0.093 0.000 1.058 371 R CA -1.132 55.033 56.100 0.107 0.000 1.057 371 R CB -0.064 30.313 30.300 0.128 0.000 0.973 371 R HN 0.055 nan 8.270 nan 0.000 0.438 372 P HA -0.013 nan 4.420 nan 0.000 0.274 372 P C -0.383 176.975 177.300 0.096 0.000 1.256 372 P CA -0.107 63.048 63.100 0.092 0.000 0.795 372 P CB 0.678 32.437 31.700 0.098 0.000 1.038 373 M N 0.484 120.141 119.600 0.095 0.000 2.228 373 M HA 0.102 4.582 4.480 -0.000 0.000 0.326 373 M C 1.765 178.131 176.300 0.110 0.000 1.122 373 M CA -0.262 55.099 55.300 0.102 0.000 1.161 373 M CB 0.183 32.838 32.600 0.090 0.000 1.437 373 M HN 0.233 nan 8.290 nan 0.000 0.465 374 L N 0.854 122.150 121.223 0.121 0.000 2.131 374 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 374 L C 2.474 179.405 176.870 0.101 0.000 1.092 374 L CA 1.118 56.024 54.840 0.110 0.000 0.759 374 L CB -0.536 41.585 42.059 0.105 0.000 0.903 374 L HN 0.628 nan 8.230 nan 0.000 0.435 375 R N 0.242 120.800 120.500 0.098 0.000 2.115 375 R HA -0.121 4.218 4.340 -0.000 0.000 0.230 375 R C 2.021 178.378 176.300 0.096 0.000 1.111 375 R CA 1.082 57.237 56.100 0.091 0.000 0.976 375 R CB -0.516 29.833 30.300 0.081 0.000 0.870 375 R HN 0.529 nan 8.270 nan 0.000 0.445 376 E N 0.303 120.564 120.200 0.101 0.000 2.106 376 E HA -0.104 4.246 4.350 -0.000 0.000 0.192 376 E C 2.029 178.721 176.600 0.153 0.000 0.984 376 E CA 1.085 57.554 56.400 0.115 0.000 0.806 376 E CB 0.004 29.771 29.700 0.110 0.000 0.750 376 E HN 0.022 nan 8.360 nan 0.000 0.458 377 V N 1.360 121.358 119.914 0.140 0.000 2.307 377 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 377 V C 2.282 178.477 176.094 0.168 0.000 1.045 377 V CA 1.482 63.870 62.300 0.148 0.000 1.024 377 V CB -0.420 31.465 31.823 0.103 0.000 0.651 377 V HN 0.237 nan 8.190 nan 0.000 0.449 378 L N -0.315 120.987 121.223 0.131 0.000 2.131 378 L HA -0.172 4.167 4.340 -0.000 0.000 0.210 378 L C 2.318 179.256 176.870 0.114 0.000 1.092 378 L CA 1.548 56.457 54.840 0.115 0.000 0.759 378 L CB -0.506 41.608 42.059 0.093 0.000 0.903 378 L HN 0.375 nan 8.230 nan 0.000 0.435 379 E N -1.924 118.348 120.200 0.119 0.000 2.478 379 E HA -0.043 4.307 4.350 -0.000 0.000 0.194 379 E C 0.560 177.227 176.600 0.112 0.000 1.045 379 E CA -0.212 56.246 56.400 0.096 0.000 0.868 379 E CB 0.110 29.855 29.700 0.074 0.000 0.885 379 E HN 0.338 nan 8.360 nan 0.000 0.505 380 H N 1.105 120.227 119.070 0.087 0.000 3.001 380 H HA -0.024 4.532 4.556 -0.000 0.000 0.334 380 H C -1.758 173.639 175.328 0.115 0.000 1.034 380 H CA -1.107 55.007 56.048 0.110 0.000 1.420 380 H CB 1.223 31.075 29.762 0.149 0.000 1.405 380 H HN -0.091 nan 8.280 nan 0.000 0.593 381 P HA -0.173 nan 4.420 nan 0.000 0.216 381 P C 1.421 178.817 177.300 0.161 0.000 1.153 381 P CA 1.346 64.430 63.100 -0.028 0.000 0.858 381 P CB -0.199 31.433 31.700 -0.114 0.000 0.789 382 W N -0.092 121.337 121.300 0.215 0.000 2.374 382 W HA -0.134 4.526 4.660 -0.000 0.000 0.288 382 W C 1.792 178.398 176.519 0.146 0.000 1.218 382 W CA 1.151 58.615 57.345 0.199 0.000 1.245 382 W CB -0.474 29.130 29.460 0.239 0.000 1.126 382 W HN -0.217 nan 8.180 nan 0.000 0.545 383 I N 0.646 121.395 120.570 0.300 0.000 2.193 383 I HA -0.254 3.916 4.170 -0.000 0.000 0.240 383 I C 2.644 178.733 176.117 -0.046 0.000 1.084 383 I CA 2.230 63.571 61.300 0.069 0.000 1.365 383 I CB -1.804 36.330 38.000 0.223 0.000 1.064 383 I HN 0.114 nan 8.210 nan 0.000 0.410 384 T N -0.185 114.382 114.554 0.021 0.000 2.803 384 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 384 T C 1.919 176.580 174.700 -0.066 0.000 1.052 384 T CA 1.287 63.378 62.100 -0.015 0.000 1.136 384 T CB -0.483 68.391 68.868 0.010 0.000 0.864 384 T HN 0.293 nan 8.240 nan 0.000 0.467 385 A N 1.948 124.711 122.820 -0.096 0.000 1.970 385 A HA 0.090 4.410 4.320 -0.000 0.000 0.216 385 A C 2.369 179.833 177.584 -0.199 0.000 1.170 385 A CA 0.962 52.925 52.037 -0.124 0.000 0.645 385 A CB -0.248 18.693 19.000 -0.097 0.000 0.816 385 A HN 0.579 nan 8.150 nan 0.000 0.447 386 N N -0.813 117.687 118.700 -0.333 0.000 2.348 386 N HA 0.051 4.791 4.740 -0.000 0.000 0.183 386 N C 0.683 176.010 175.510 -0.305 0.000 1.094 386 N CA 0.295 53.109 53.050 -0.393 0.000 0.885 386 N CB 0.208 38.270 38.487 -0.709 0.000 1.065 386 N HN 0.325 nan 8.380 nan 0.000 0.472 387 S N 0.283 115.831 115.700 -0.253 0.000 2.600 387 S HA 0.336 4.806 4.470 -0.000 0.000 0.265 387 S C 0.260 174.786 174.600 -0.122 0.000 1.325 387 S CA -0.178 57.922 58.200 -0.168 0.000 1.002 387 S CB 0.742 63.880 63.200 -0.103 0.000 0.921 387 S HN 0.110 nan 8.310 nan 0.000 0.554 388 S N 0.000 115.640 115.700 -0.100 0.000 2.498 388 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 388 S CA 0.000 58.153 58.200 -0.079 0.000 1.107 388 S CB 0.000 63.143 63.200 -0.095 0.000 0.593 388 S HN 0.000 nan 8.310 nan 0.000 0.517