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 3o4x_1_C DATA FIRST_RESID 134 DATA SEQUENCE RSAMMYIQEL RSGLRDMHLL SCLESLRVSL NNNPVSWVQT FGAEGLASLL DATA SEQUENCE DILKRLHDEX XXXXXXYDSR NQHEIIRCLK AFMNNKFGIK TMLETEEGIL DATA SEQUENCE LLVRAMDPAV PNMMIDAAKL LSALCILPQP EDMNERVLEA MTERAEMDEV DATA SEQUENCE ERFQPLLDGL KSGTSIALKV GCLQLINALI TPAEELDFRV HIRSELMRLG DATA SEQUENCE LHQVLQELRE IENEDMKVQL CVFDEQGDED FFDLKGRLDD IRMEMDDFGE DATA SEQUENCE VFQIILNTVK DSKAEPHFLS ILQHLLLVRN DYEARPQYYK LIEECVSQIV DATA SEQUENCE LHKNGTDPDF KCRHLQID 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 134 R HA 0.000 nan 4.340 nan 0.000 0.208 134 R C 0.000 176.441 176.300 0.235 0.000 0.893 134 R CA 0.000 56.255 56.100 0.258 0.000 0.921 134 R CB 0.000 30.575 30.300 0.459 0.000 0.687 135 S N 0.040 115.969 115.700 0.381 0.000 2.663 135 S HA 0.330 4.799 4.470 -0.000 0.000 0.243 135 S C 1.076 175.898 174.600 0.371 0.000 1.009 135 S CA 0.237 58.602 58.200 0.274 0.000 0.988 135 S CB 1.393 64.705 63.200 0.188 0.000 0.896 135 S HN 0.530 nan 8.310 nan 0.000 0.502 136 A N 2.403 125.415 122.820 0.321 0.000 1.969 136 A HA 0.081 4.401 4.320 -0.000 0.000 0.218 136 A C 2.225 179.917 177.584 0.180 0.000 1.169 136 A CA 1.199 53.332 52.037 0.160 0.000 0.635 136 A CB -0.593 18.120 19.000 -0.479 0.000 0.810 136 A HN 0.528 nan 8.150 nan 0.000 0.445 137 M N -1.020 118.625 119.600 0.075 0.000 2.108 137 M HA -0.116 4.364 4.480 -0.000 0.000 0.261 137 M C 2.099 178.436 176.300 0.062 0.000 1.066 137 M CA 1.358 56.678 55.300 0.033 0.000 1.107 137 M CB -1.075 31.534 32.600 0.015 0.000 1.356 137 M HN 0.332 nan 8.290 nan 0.000 0.406 138 M N -1.361 118.282 119.600 0.071 0.000 2.213 138 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 138 M C 2.109 178.432 176.300 0.039 0.000 1.062 138 M CA 1.511 56.822 55.300 0.017 0.000 1.105 138 M CB -1.290 31.282 32.600 -0.047 0.000 1.385 138 M HN 0.176 nan 8.290 nan 0.000 0.417 139 Y N 0.599 120.998 120.300 0.164 0.000 2.163 139 Y HA -0.108 4.441 4.550 -0.000 0.000 0.288 139 Y C 2.351 178.337 175.900 0.144 0.000 1.136 139 Y CA 1.353 59.580 58.100 0.213 0.000 1.147 139 Y CB -0.760 37.933 38.460 0.389 0.000 0.987 139 Y HN 0.135 nan 8.280 nan 0.000 0.509 140 I N -0.291 120.415 120.570 0.226 0.000 2.248 140 I HA -0.384 3.785 4.170 -0.000 0.000 0.248 140 I C 2.466 178.606 176.117 0.039 0.000 1.107 140 I CA 1.662 62.978 61.300 0.027 0.000 1.373 140 I CB -0.472 37.457 38.000 -0.119 0.000 1.055 140 I HN 0.306 nan 8.210 nan 0.000 0.418 141 Q N 0.962 120.793 119.800 0.051 0.000 2.046 141 Q HA -0.215 4.124 4.340 -0.000 0.000 0.200 141 Q C 2.141 178.169 176.000 0.046 0.000 0.975 141 Q CA 1.504 57.326 55.803 0.032 0.000 0.836 141 Q CB 0.078 28.828 28.738 0.020 0.000 0.896 141 Q HN 0.489 nan 8.270 nan 0.000 0.428 142 E N 0.020 120.267 120.200 0.077 0.000 2.110 142 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 142 E C 2.013 178.673 176.600 0.099 0.000 0.988 142 E CA 1.035 57.488 56.400 0.088 0.000 0.804 142 E CB -0.005 29.767 29.700 0.120 0.000 0.745 142 E HN 0.392 nan 8.360 nan 0.000 0.458 143 L N 0.075 121.371 121.223 0.122 0.000 2.156 143 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 143 L C 2.190 179.091 176.870 0.051 0.000 1.095 143 L CA 0.816 55.716 54.840 0.099 0.000 0.770 143 L CB -0.121 42.008 42.059 0.118 0.000 0.914 143 L HN -0.025 nan 8.230 nan 0.000 0.439 144 R N -0.455 120.065 120.500 0.034 0.000 2.317 144 R HA 0.035 4.375 4.340 -0.000 0.000 0.208 144 R C 2.008 178.315 176.300 0.012 0.000 0.914 144 R CA 0.631 56.738 56.100 0.013 0.000 1.060 144 R CB 0.148 30.446 30.300 -0.004 0.000 1.015 144 R HN 0.343 nan 8.270 nan 0.000 0.498 145 S N -0.590 115.122 115.700 0.020 0.000 2.558 145 S HA 0.081 4.550 4.470 -0.000 0.000 0.217 145 S C 1.192 175.799 174.600 0.010 0.000 0.975 145 S CA 0.321 58.528 58.200 0.012 0.000 0.912 145 S CB 0.526 63.733 63.200 0.011 0.000 0.776 145 S HN 0.377 nan 8.310 nan 0.000 0.526 146 G N 1.481 110.292 108.800 0.018 0.000 2.341 146 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.278 146 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.278 146 G C -0.248 174.665 174.900 0.021 0.000 1.111 146 G CA -0.044 45.067 45.100 0.018 0.000 0.982 146 G HN 0.538 nan 8.290 nan 0.000 0.502 147 L N -0.567 120.677 121.223 0.035 0.000 2.461 147 L HA 0.443 4.783 4.340 -0.000 0.000 0.272 147 L C 1.342 178.248 176.870 0.060 0.000 1.197 147 L CA 0.093 54.962 54.840 0.047 0.000 0.836 147 L CB 0.552 42.659 42.059 0.080 0.000 1.105 147 L HN 0.407 nan 8.230 nan 0.000 0.477 148 R N 0.898 121.442 120.500 0.074 0.000 2.873 148 R HA 0.298 4.637 4.340 -0.000 0.000 0.264 148 R C -0.164 176.210 176.300 0.124 0.000 1.026 148 R CA -0.717 55.434 56.100 0.084 0.000 1.002 148 R CB 1.375 31.713 30.300 0.062 0.000 1.174 148 R HN 0.715 nan 8.270 nan 0.000 0.488 149 D N 0.211 120.674 120.400 0.106 0.000 4.078 149 D HA -0.324 4.316 4.640 -0.000 0.000 0.196 149 D C 1.147 177.498 176.300 0.085 0.000 0.717 149 D CA 2.303 56.366 54.000 0.105 0.000 0.950 149 D CB -0.350 40.492 40.800 0.071 0.000 0.423 149 D HN 0.404 nan 8.370 nan 0.000 0.373 150 M N -0.679 118.942 119.600 0.036 0.000 2.558 150 M HA 0.056 4.535 4.480 -0.000 0.000 0.255 150 M C 1.737 177.965 176.300 -0.120 0.000 1.113 150 M CA 1.311 56.578 55.300 -0.054 0.000 1.097 150 M CB -1.040 31.488 32.600 -0.120 0.000 1.426 150 M HN 0.312 nan 8.290 nan 0.000 0.488 151 H N -0.294 118.792 119.070 0.027 0.000 2.436 151 H HA 0.012 4.567 4.556 -0.000 0.000 0.294 151 H C 1.906 177.261 175.328 0.044 0.000 1.048 151 H CA 0.965 57.032 56.048 0.031 0.000 1.353 151 H CB 0.160 29.937 29.762 0.025 0.000 1.414 151 H HN 0.158 nan 8.280 nan 0.000 0.536 152 L N 0.156 121.471 121.223 0.153 0.000 2.044 152 L HA -0.060 4.280 4.340 -0.000 0.000 0.205 152 L C 2.055 178.974 176.870 0.082 0.000 1.075 152 L CA 1.084 55.990 54.840 0.111 0.000 0.747 152 L CB -0.535 41.578 42.059 0.091 0.000 0.903 152 L HN 0.265 nan 8.230 nan 0.000 0.435 153 L N -1.290 119.970 121.223 0.060 0.000 2.079 153 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 153 L C 2.533 179.424 176.870 0.035 0.000 1.081 153 L CA 2.131 56.994 54.840 0.038 0.000 0.752 153 L CB -0.959 41.118 42.059 0.029 0.000 0.896 153 L HN 0.338 nan 8.230 nan 0.000 0.433 154 S N -1.916 113.804 115.700 0.033 0.000 2.402 154 S HA -0.206 4.264 4.470 -0.000 0.000 0.229 154 S C 2.199 176.847 174.600 0.080 0.000 1.021 154 S CA 1.115 59.336 58.200 0.035 0.000 0.974 154 S CB -0.714 62.489 63.200 0.005 0.000 0.800 154 S HN 0.770 nan 8.310 nan 0.000 0.484 155 C N 0.881 120.249 119.300 0.113 0.000 2.489 155 C HA 0.154 4.614 4.460 -0.000 0.000 0.279 155 C C 2.405 177.504 174.990 0.182 0.000 1.266 155 C CA 0.513 59.637 59.018 0.177 0.000 1.707 155 C CB -1.529 26.323 27.740 0.186 0.000 2.059 155 C HN 0.622 nan 8.230 nan 0.000 0.481 156 L N 0.748 122.036 121.223 0.108 0.000 2.083 156 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 156 L C 2.690 179.566 176.870 0.010 0.000 1.083 156 L CA 1.974 56.843 54.840 0.048 0.000 0.752 156 L CB -0.802 41.274 42.059 0.030 0.000 0.899 156 L HN 0.495 nan 8.230 nan 0.000 0.433 157 E N -0.316 119.897 120.200 0.021 0.000 2.038 157 E HA -0.278 4.072 4.350 -0.000 0.000 0.195 157 E C 2.355 178.961 176.600 0.010 0.000 1.000 157 E CA 1.623 58.023 56.400 0.000 0.000 0.803 157 E CB -0.042 29.661 29.700 0.005 0.000 0.750 157 E HN 0.306 nan 8.360 nan 0.000 0.448 158 S N -0.103 115.636 115.700 0.066 0.000 2.419 158 S HA -0.143 4.327 4.470 -0.000 0.000 0.233 158 S C 1.928 176.587 174.600 0.097 0.000 1.016 158 S CA 0.897 59.164 58.200 0.111 0.000 0.974 158 S CB -0.198 63.118 63.200 0.193 0.000 0.786 158 S HN 0.313 nan 8.310 nan 0.000 0.492 159 L N 1.927 123.136 121.223 -0.024 0.000 2.156 159 L HA 0.185 4.525 4.340 -0.000 0.000 0.208 159 L C 2.395 179.118 176.870 -0.246 0.000 1.095 159 L CA 1.748 56.348 54.840 -0.401 0.000 0.770 159 L CB -0.722 41.019 42.059 -0.532 0.000 0.914 159 L HN 0.275 nan 8.230 nan 0.000 0.439 160 R N -0.926 119.494 120.500 -0.134 0.000 2.092 160 R HA -0.081 4.259 4.340 -0.000 0.000 0.231 160 R C 1.948 178.198 176.300 -0.083 0.000 1.119 160 R CA 1.610 57.652 56.100 -0.097 0.000 0.970 160 R CB -0.164 30.091 30.300 -0.074 0.000 0.864 160 R HN 0.379 nan 8.270 nan 0.000 0.440 161 V N 0.291 120.161 119.914 -0.073 0.000 2.427 161 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 161 V C 2.210 178.231 176.094 -0.121 0.000 1.051 161 V CA 1.918 64.175 62.300 -0.073 0.000 1.048 161 V CB -0.246 31.550 31.823 -0.045 0.000 0.666 161 V HN 0.315 nan 8.190 nan 0.000 0.456 162 S N 0.090 115.696 115.700 -0.156 0.000 2.368 162 S HA -0.044 4.426 4.470 -0.000 0.000 0.224 162 S C 1.911 176.284 174.600 -0.378 0.000 1.029 162 S CA 1.329 59.320 58.200 -0.347 0.000 0.988 162 S CB -0.301 62.700 63.200 -0.331 0.000 0.838 162 S HN 0.454 nan 8.310 nan 0.000 0.462 163 L N 1.623 122.771 121.223 -0.125 0.000 2.141 163 L HA -0.093 4.246 4.340 -0.000 0.000 0.209 163 L C 2.309 179.180 176.870 0.001 0.000 1.094 163 L CA 0.748 55.617 54.840 0.049 0.000 0.763 163 L CB -0.486 41.588 42.059 0.025 0.000 0.908 163 L HN 0.267 nan 8.230 nan 0.000 0.437 164 N N 0.027 118.698 118.700 -0.049 0.000 2.062 164 N HA -0.137 4.603 4.740 -0.000 0.000 0.191 164 N C 1.618 177.095 175.510 -0.056 0.000 1.042 164 N CA 1.304 54.330 53.050 -0.040 0.000 0.845 164 N CB -0.329 38.132 38.487 -0.043 0.000 1.024 164 N HN 0.292 nan 8.380 nan 0.000 0.424 165 N N 1.347 119.989 118.700 -0.098 0.000 2.109 165 N HA -0.040 4.700 4.740 -0.000 0.000 0.188 165 N C 0.194 175.634 175.510 -0.117 0.000 1.034 165 N CA 0.512 53.500 53.050 -0.104 0.000 0.846 165 N CB -0.750 37.663 38.487 -0.123 0.000 1.010 165 N HN 0.238 nan 8.380 nan 0.000 0.425 166 N N 2.138 120.718 118.700 -0.200 0.000 2.305 166 N HA 0.042 4.782 4.740 -0.000 0.000 0.232 166 N C -2.156 173.347 175.510 -0.012 0.000 1.274 166 N CA -0.416 52.521 53.050 -0.189 0.000 0.870 166 N CB -0.217 37.976 38.487 -0.490 0.000 1.105 166 N HN 0.209 nan 8.380 nan 0.000 0.436 167 P HA 0.049 nan 4.420 nan 0.000 0.274 167 P C 0.810 178.179 177.300 0.116 0.000 1.260 167 P CA -0.379 62.762 63.100 0.068 0.000 0.793 167 P CB 0.633 32.370 31.700 0.061 0.000 1.048 168 V N 0.027 119.981 119.914 0.067 0.000 2.392 168 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 168 V C 2.877 178.998 176.094 0.045 0.000 1.059 168 V CA 2.603 64.932 62.300 0.049 0.000 1.051 168 V CB -1.633 30.199 31.823 0.014 0.000 0.658 168 V HN 0.786 nan 8.190 nan 0.000 0.455 169 S N -0.713 115.019 115.700 0.054 0.000 2.381 169 S HA -0.351 4.119 4.470 -0.000 0.000 0.230 169 S C 1.687 176.355 174.600 0.113 0.000 1.052 169 S CA 2.466 60.698 58.200 0.053 0.000 1.068 169 S CB -0.643 62.599 63.200 0.071 0.000 0.918 169 S HN 0.769 nan 8.310 nan 0.000 0.448 170 W N 1.200 122.505 121.300 0.008 0.000 2.476 170 W HA 0.102 4.762 4.660 -0.000 0.000 0.281 170 W C 2.038 178.614 176.519 0.096 0.000 1.230 170 W CA 0.963 58.340 57.345 0.052 0.000 1.287 170 W CB -0.221 29.269 29.460 0.051 0.000 1.108 170 W HN 0.159 nan 8.180 nan 0.000 0.567 171 V N 0.519 120.568 119.914 0.224 0.000 2.453 171 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 171 V C 2.067 178.237 176.094 0.127 0.000 1.048 171 V CA 2.096 64.483 62.300 0.145 0.000 1.049 171 V CB -0.884 31.000 31.823 0.101 0.000 0.672 171 V HN 0.197 nan 8.190 nan 0.000 0.457 172 Q N 0.384 120.164 119.800 -0.032 0.000 2.167 172 Q HA -0.157 4.182 4.340 -0.000 0.000 0.202 172 Q C 2.353 178.299 176.000 -0.091 0.000 0.970 172 Q CA 2.010 57.666 55.803 -0.245 0.000 0.855 172 Q CB -0.325 28.088 28.738 -0.542 0.000 0.911 172 Q HN 0.853 nan 8.270 nan 0.000 0.438 173 T N -1.727 112.771 114.554 -0.094 0.000 2.985 173 T HA -0.093 4.256 4.350 -0.000 0.000 0.266 173 T C 1.482 176.131 174.700 -0.085 0.000 1.076 173 T CA 0.448 62.486 62.100 -0.102 0.000 1.135 173 T CB -0.326 68.461 68.868 -0.135 0.000 0.890 173 T HN 0.227 nan 8.240 nan 0.000 0.480 174 F N 2.933 122.734 119.950 -0.248 0.000 2.113 174 F HA 0.262 4.789 4.527 -0.000 0.000 0.297 174 F C 1.684 177.520 175.800 0.059 0.000 1.103 174 F CA 0.930 58.826 58.000 -0.174 0.000 1.248 174 F CB -0.878 37.967 39.000 -0.259 0.000 0.999 174 F HN 0.529 nan 8.300 nan 0.000 0.475 175 G N 0.097 109.145 108.800 0.414 0.000 2.591 175 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.278 175 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.278 175 G C 0.965 176.032 174.900 0.277 0.000 1.293 175 G CA 0.442 45.813 45.100 0.452 0.000 0.930 175 G HN 1.008 nan 8.290 nan 0.000 0.562 176 A N -1.429 121.506 122.820 0.191 0.000 1.969 176 A HA 0.090 4.410 4.320 -0.000 0.000 0.218 176 A C 2.167 179.700 177.584 -0.085 0.000 1.169 176 A CA 2.225 54.290 52.037 0.046 0.000 0.635 176 A CB -0.433 18.602 19.000 0.058 0.000 0.810 176 A HN 0.779 nan 8.150 nan 0.000 0.445 177 E N -0.737 119.394 120.200 -0.114 0.000 2.110 177 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 177 E C 2.063 178.477 176.600 -0.310 0.000 0.988 177 E CA 0.894 57.190 56.400 -0.173 0.000 0.804 177 E CB -0.242 29.366 29.700 -0.152 0.000 0.745 177 E HN 0.630 nan 8.360 nan 0.000 0.458 178 G N 0.966 109.418 108.800 -0.580 0.000 2.411 178 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.213 178 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.213 178 G C 1.531 176.094 174.900 -0.562 0.000 1.166 178 G CA 0.182 44.621 45.100 -1.102 0.000 0.802 178 G HN 0.155 nan 8.290 nan 0.000 0.533 179 L N 1.380 122.385 121.223 -0.364 0.000 2.046 179 L HA 0.141 4.481 4.340 -0.000 0.000 0.208 179 L C 3.028 179.781 176.870 -0.196 0.000 1.077 179 L CA 2.190 56.847 54.840 -0.306 0.000 0.747 179 L CB -0.463 41.272 42.059 -0.540 0.000 0.896 179 L HN 0.210 nan 8.230 nan 0.000 0.432 180 A N -0.774 121.946 122.820 -0.166 0.000 1.978 180 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 180 A C 2.475 180.008 177.584 -0.084 0.000 1.170 180 A CA 2.085 54.058 52.037 -0.106 0.000 0.636 180 A CB -1.071 17.876 19.000 -0.088 0.000 0.810 180 A HN 0.693 nan 8.150 nan 0.000 0.448 181 S N -0.224 115.416 115.700 -0.099 0.000 2.387 181 S HA -0.020 4.450 4.470 -0.000 0.000 0.226 181 S C 1.862 176.448 174.600 -0.024 0.000 1.026 181 S CA 1.153 59.319 58.200 -0.056 0.000 0.972 181 S CB -0.682 62.482 63.200 -0.059 0.000 0.814 181 S HN 0.428 nan 8.310 nan 0.000 0.477 182 L N 0.795 122.005 121.223 -0.021 0.000 2.042 182 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 182 L C 2.412 179.271 176.870 -0.019 0.000 1.076 182 L CA 1.319 56.156 54.840 -0.005 0.000 0.749 182 L CB -0.554 41.496 42.059 -0.015 0.000 0.893 182 L HN 0.339 nan 8.230 nan 0.000 0.432 183 L N -1.450 119.752 121.223 -0.035 0.000 2.341 183 L HA -0.079 4.261 4.340 -0.000 0.000 0.214 183 L C 1.854 178.723 176.870 -0.002 0.000 1.115 183 L CA 0.313 55.143 54.840 -0.017 0.000 0.820 183 L CB -0.477 41.563 42.059 -0.032 0.000 0.944 183 L HN 0.186 nan 8.230 nan 0.000 0.452 184 D N 0.652 121.046 120.400 -0.011 0.000 2.162 184 D HA -0.048 4.592 4.640 -0.000 0.000 0.203 184 D C 2.309 178.611 176.300 0.003 0.000 0.967 184 D CA 1.121 55.119 54.000 -0.003 0.000 0.840 184 D CB 0.226 41.020 40.800 -0.011 0.000 0.972 184 D HN 0.293 nan 8.370 nan 0.000 0.482 185 I N 0.317 120.887 120.570 0.001 0.000 2.353 185 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 185 I C 2.254 178.360 176.117 -0.018 0.000 1.119 185 I CA 0.377 61.676 61.300 -0.000 0.000 1.417 185 I CB 0.041 38.046 38.000 0.009 0.000 1.078 185 I HN -0.020 nan 8.210 nan 0.000 0.421 186 L N 0.663 121.876 121.223 -0.017 0.000 2.093 186 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 186 L C 2.392 179.261 176.870 -0.001 0.000 1.085 186 L CA 1.818 56.630 54.840 -0.048 0.000 0.755 186 L CB -0.616 41.450 42.059 0.012 0.000 0.904 186 L HN 0.040 nan 8.230 nan 0.000 0.435 187 K N -0.366 120.073 120.400 0.065 0.000 2.057 187 K HA -0.188 4.131 4.320 -0.000 0.000 0.207 187 K C 2.334 178.972 176.600 0.063 0.000 1.049 187 K CA 1.150 57.497 56.287 0.099 0.000 0.931 187 K CB -0.220 32.315 32.500 0.059 0.000 0.714 187 K HN 0.286 nan 8.250 nan 0.000 0.440 188 R N 0.787 121.301 120.500 0.023 0.000 2.080 188 R HA -0.115 4.225 4.340 -0.000 0.000 0.236 188 R C 2.473 178.772 176.300 -0.001 0.000 1.137 188 R CA 1.323 57.430 56.100 0.013 0.000 0.943 188 R CB -0.474 29.830 30.300 0.006 0.000 0.846 188 R HN 0.163 nan 8.270 nan 0.000 0.431 189 L N -0.163 121.030 121.223 -0.050 0.000 2.083 189 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 189 L C 2.514 179.316 176.870 -0.112 0.000 1.083 189 L CA 1.173 55.951 54.840 -0.104 0.000 0.752 189 L CB -0.513 41.437 42.059 -0.181 0.000 0.899 189 L HN 0.340 nan 8.230 nan 0.000 0.433 190 H N -0.778 118.293 119.070 0.002 0.000 2.495 190 H HA -0.053 4.503 4.556 -0.000 0.000 0.287 190 H C 0.610 175.936 175.328 -0.004 0.000 1.033 190 H CA 0.796 56.842 56.048 -0.004 0.000 1.307 190 H CB -0.039 29.719 29.762 -0.006 0.000 1.401 190 H HN 0.295 nan 8.280 nan 0.000 0.555 191 D N 1.342 121.802 120.400 0.100 0.000 2.676 191 D HA 0.150 4.790 4.640 -0.000 0.000 0.239 191 D C 0.216 176.538 176.300 0.037 0.000 1.213 191 D CA 0.265 54.300 54.000 0.058 0.000 0.835 191 D CB 0.214 41.040 40.800 0.044 0.000 1.009 191 D HN 0.483 nan 8.370 nan 0.000 0.479 201 D N 1.088 121.501 120.400 0.022 0.000 2.340 201 D HA 0.052 4.692 4.640 -0.000 0.000 0.220 201 D C 1.761 178.034 176.300 -0.046 0.000 1.039 201 D CA 1.203 55.229 54.000 0.043 0.000 0.866 201 D CB 0.625 41.468 40.800 0.072 0.000 0.913 201 D HN 0.377 nan 8.370 nan 0.000 0.523 202 S N 0.329 115.973 115.700 -0.094 0.000 2.425 202 S HA -0.036 4.434 4.470 -0.000 0.000 0.225 202 S C 1.845 176.446 174.600 0.002 0.000 1.024 202 S CA 0.326 58.488 58.200 -0.063 0.000 0.951 202 S CB 0.230 63.378 63.200 -0.087 0.000 0.796 202 S HN 0.145 nan 8.310 nan 0.000 0.498 203 R N 1.368 121.883 120.500 0.025 0.000 2.081 203 R HA 0.006 4.345 4.340 -0.000 0.000 0.235 203 R C 2.132 178.463 176.300 0.051 0.000 1.131 203 R CA 1.584 57.721 56.100 0.060 0.000 0.960 203 R CB -0.508 29.828 30.300 0.059 0.000 0.856 203 R HN 0.441 nan 8.270 nan 0.000 0.436 204 N N 1.153 119.874 118.700 0.035 0.000 2.104 204 N HA -0.205 4.535 4.740 -0.000 0.000 0.190 204 N C 1.806 177.321 175.510 0.009 0.000 1.024 204 N CA 1.430 54.494 53.050 0.022 0.000 0.853 204 N CB -0.159 38.342 38.487 0.022 0.000 1.008 204 N HN 0.420 nan 8.380 nan 0.000 0.424 205 Q N -0.091 119.706 119.800 -0.005 0.000 2.020 205 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 205 Q C 2.061 178.101 176.000 0.068 0.000 0.982 205 Q CA 1.302 57.091 55.803 -0.023 0.000 0.838 205 Q CB -0.341 28.353 28.738 -0.074 0.000 0.899 205 Q HN 0.611 nan 8.270 nan 0.000 0.423 206 H N -0.069 118.988 119.070 -0.022 0.000 2.352 206 H HA -0.159 4.397 4.556 -0.000 0.000 0.299 206 H C 1.814 177.141 175.328 -0.003 0.000 1.097 206 H CA 1.230 57.275 56.048 -0.006 0.000 1.311 206 H CB 0.387 30.146 29.762 -0.004 0.000 1.377 206 H HN 0.150 nan 8.280 nan 0.000 0.504 207 E N 0.546 120.722 120.200 -0.040 0.000 2.268 207 E HA -0.066 4.284 4.350 -0.000 0.000 0.195 207 E C 2.104 178.675 176.600 -0.048 0.000 0.995 207 E CA 0.512 56.849 56.400 -0.104 0.000 0.836 207 E CB -0.065 29.593 29.700 -0.070 0.000 0.763 207 E HN 0.575 nan 8.360 nan 0.000 0.491 208 I N -0.265 120.301 120.570 -0.008 0.000 2.353 208 I HA -0.197 3.973 4.170 -0.000 0.000 0.248 208 I C 1.739 177.862 176.117 0.010 0.000 1.119 208 I CA 0.741 62.040 61.300 -0.002 0.000 1.417 208 I CB -0.052 37.949 38.000 0.001 0.000 1.078 208 I HN 0.144 nan 8.210 nan 0.000 0.421 209 I N 0.173 120.768 120.570 0.043 0.000 2.500 209 I HA -0.163 4.007 4.170 -0.000 0.000 0.252 209 I C 2.500 178.646 176.117 0.048 0.000 1.142 209 I CA 0.930 62.272 61.300 0.070 0.000 1.451 209 I CB -0.298 37.781 38.000 0.132 0.000 1.093 209 I HN 0.061 nan 8.210 nan 0.000 0.430 210 R N -0.247 120.253 120.500 -0.001 0.000 2.115 210 R HA -0.114 4.226 4.340 -0.000 0.000 0.230 210 R C 2.292 178.582 176.300 -0.017 0.000 1.111 210 R CA 1.400 57.478 56.100 -0.036 0.000 0.976 210 R CB -0.535 29.688 30.300 -0.128 0.000 0.870 210 R HN 0.412 nan 8.270 nan 0.000 0.445 211 C N 0.409 119.697 119.300 -0.020 0.000 2.486 211 C HA 0.063 4.523 4.460 -0.000 0.000 0.279 211 C C 2.554 177.571 174.990 0.045 0.000 1.302 211 C CA 0.158 59.165 59.018 -0.019 0.000 1.720 211 C CB -0.713 26.991 27.740 -0.061 0.000 2.030 211 C HN 0.424 nan 8.230 nan 0.000 0.490 212 L N 1.108 122.358 121.223 0.044 0.000 2.042 212 L HA -0.182 4.157 4.340 -0.000 0.000 0.210 212 L C 2.833 179.785 176.870 0.136 0.000 1.076 212 L CA 1.471 56.365 54.840 0.089 0.000 0.749 212 L CB -0.675 41.413 42.059 0.050 0.000 0.893 212 L HN 0.336 nan 8.230 nan 0.000 0.432 213 K N 0.572 121.024 120.400 0.086 0.000 2.057 213 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 213 K C 2.022 178.666 176.600 0.074 0.000 1.049 213 K CA 1.654 57.985 56.287 0.073 0.000 0.931 213 K CB -0.114 32.417 32.500 0.051 0.000 0.714 213 K HN 0.279 nan 8.250 nan 0.000 0.440 214 A N 0.973 123.834 122.820 0.068 0.000 1.835 214 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 214 A C 2.133 179.775 177.584 0.096 0.000 1.199 214 A CA 1.558 53.630 52.037 0.057 0.000 0.615 214 A CB -1.135 17.882 19.000 0.029 0.000 0.838 214 A HN 0.450 nan 8.150 nan 0.000 0.444 215 F N 0.011 119.951 119.950 -0.016 0.000 2.147 215 F HA -0.207 4.319 4.527 -0.000 0.000 0.301 215 F C 2.127 177.944 175.800 0.027 0.000 1.084 215 F CA 2.143 60.148 58.000 0.009 0.000 1.268 215 F CB -0.109 38.893 39.000 0.003 0.000 1.009 215 F HN 0.159 nan 8.300 nan 0.000 0.486 216 M N -0.512 119.179 119.600 0.151 0.000 2.495 216 M HA -0.012 4.467 4.480 -0.000 0.000 0.237 216 M C 1.176 177.480 176.300 0.006 0.000 1.131 216 M CA 0.119 55.456 55.300 0.061 0.000 1.032 216 M CB -0.242 32.431 32.600 0.122 0.000 1.513 216 M HN 0.020 nan 8.290 nan 0.000 0.488 217 N N 2.372 121.075 118.700 0.004 0.000 2.609 217 N HA -0.059 4.681 4.740 -0.000 0.000 0.190 217 N C -0.565 174.940 175.510 -0.008 0.000 1.157 217 N CA 0.425 53.478 53.050 0.004 0.000 0.918 217 N CB -0.105 38.388 38.487 0.009 0.000 0.978 217 N HN 0.527 nan 8.380 nan 0.000 0.448 218 N N -2.129 116.553 118.700 -0.030 0.000 2.509 218 N HA 0.257 4.997 4.740 -0.000 0.000 0.280 218 N C 0.152 175.657 175.510 -0.009 0.000 1.306 218 N CA -0.788 52.254 53.050 -0.014 0.000 0.782 218 N CB 0.946 39.429 38.487 -0.007 0.000 1.493 218 N HN -0.302 nan 8.380 nan 0.000 0.498 219 K N -0.997 119.417 120.400 0.025 0.000 2.283 219 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 219 K C 0.836 177.474 176.600 0.064 0.000 1.048 219 K CA 0.951 57.260 56.287 0.037 0.000 0.948 219 K CB -0.293 32.234 32.500 0.047 0.000 0.742 219 K HN 0.480 nan 8.250 nan 0.000 0.458 220 F N 0.717 120.617 119.950 -0.083 0.000 2.149 220 F HA 0.032 4.559 4.527 -0.000 0.000 0.294 220 F C 2.011 177.730 175.800 -0.135 0.000 1.095 220 F CA 1.406 59.348 58.000 -0.096 0.000 1.276 220 F CB -0.763 38.169 39.000 -0.115 0.000 1.023 220 F HN -0.040 nan 8.300 nan 0.000 0.480 221 G N 1.321 109.884 108.800 -0.394 0.000 2.514 221 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 221 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 221 G C 1.842 176.635 174.900 -0.177 0.000 1.198 221 G CA 1.542 46.300 45.100 -0.571 0.000 0.780 221 G HN 0.452 nan 8.290 nan 0.000 0.565 222 I N 0.672 121.184 120.570 -0.095 0.000 2.118 222 I HA -0.222 3.948 4.170 -0.000 0.000 0.241 222 I C 2.685 178.770 176.117 -0.053 0.000 1.070 222 I CA 1.758 63.041 61.300 -0.029 0.000 1.327 222 I CB -0.197 37.795 38.000 -0.012 0.000 1.034 222 I HN 0.117 nan 8.210 nan 0.000 0.405 223 K N 0.784 121.125 120.400 -0.099 0.000 2.063 223 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 223 K C 1.979 178.498 176.600 -0.135 0.000 1.048 223 K CA 2.093 58.324 56.287 -0.093 0.000 0.928 223 K CB -0.595 31.867 32.500 -0.063 0.000 0.713 223 K HN 0.249 nan 8.250 nan 0.000 0.442 224 T N 0.502 114.894 114.554 -0.269 0.000 2.698 224 T HA -0.112 4.238 4.350 -0.000 0.000 0.260 224 T C 1.719 176.392 174.700 -0.045 0.000 1.044 224 T CA 1.560 63.532 62.100 -0.214 0.000 1.149 224 T CB -0.314 68.324 68.868 -0.383 0.000 0.864 224 T HN 0.287 nan 8.240 nan 0.000 0.419 225 M N 1.156 120.777 119.600 0.034 0.000 2.089 225 M HA -0.098 4.382 4.480 -0.000 0.000 0.257 225 M C 1.940 178.243 176.300 0.005 0.000 1.071 225 M CA 1.639 56.961 55.300 0.037 0.000 1.096 225 M CB -0.798 31.852 32.600 0.083 0.000 1.330 225 M HN 0.181 nan 8.290 nan 0.000 0.403 226 L N -0.400 120.822 121.223 -0.001 0.000 2.089 226 L HA -0.303 4.037 4.340 -0.000 0.000 0.213 226 L C 2.282 179.148 176.870 -0.007 0.000 1.079 226 L CA 1.864 56.702 54.840 -0.004 0.000 0.758 226 L CB -0.782 41.273 42.059 -0.006 0.000 0.891 226 L HN 0.477 nan 8.230 nan 0.000 0.433 227 E N -0.827 119.364 120.200 -0.014 0.000 2.158 227 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 227 E C 0.924 177.518 176.600 -0.010 0.000 0.982 227 E CA 0.774 57.167 56.400 -0.011 0.000 0.823 227 E CB -0.015 29.678 29.700 -0.012 0.000 0.766 227 E HN 0.541 nan 8.360 nan 0.000 0.468 228 T N -0.735 113.810 114.554 -0.014 0.000 2.906 228 T HA -0.050 4.300 4.350 -0.000 0.000 0.320 228 T C 0.944 175.637 174.700 -0.013 0.000 1.088 228 T CA -0.155 61.935 62.100 -0.017 0.000 1.120 228 T CB 1.594 70.447 68.868 -0.026 0.000 1.000 228 T HN 0.067 nan 8.240 nan 0.000 0.550 229 E N 0.667 120.859 120.200 -0.013 0.000 2.016 229 E HA -0.124 4.226 4.350 -0.000 0.000 0.190 229 E C 1.604 178.197 176.600 -0.011 0.000 0.985 229 E CA 0.873 57.266 56.400 -0.011 0.000 0.802 229 E CB 0.007 29.701 29.700 -0.010 0.000 0.762 229 E HN 0.793 nan 8.360 nan 0.000 0.448 230 E N -0.383 119.810 120.200 -0.012 0.000 2.494 230 E HA 0.061 4.411 4.350 -0.000 0.000 0.193 230 E C 1.093 177.688 176.600 -0.009 0.000 1.074 230 E CA 0.388 56.782 56.400 -0.010 0.000 0.867 230 E CB 0.263 29.960 29.700 -0.006 0.000 0.924 230 E HN 0.414 nan 8.360 nan 0.000 0.502 231 G N 1.395 110.189 108.800 -0.010 0.000 2.552 231 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 231 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 231 G C 1.415 176.314 174.900 -0.001 0.000 1.240 231 G CA 0.715 45.811 45.100 -0.007 0.000 0.796 231 G HN 0.211 nan 8.290 nan 0.000 0.568 232 I N 0.693 121.262 120.570 -0.002 0.000 2.163 232 I HA -0.110 4.060 4.170 -0.000 0.000 0.243 232 I C 2.737 178.846 176.117 -0.012 0.000 1.085 232 I CA 0.927 62.226 61.300 -0.001 0.000 1.347 232 I CB -1.201 36.799 38.000 -0.000 0.000 1.044 232 I HN 0.181 nan 8.210 nan 0.000 0.408 233 L N 0.812 122.022 121.223 -0.021 0.000 2.017 233 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 233 L C 2.437 179.273 176.870 -0.056 0.000 1.073 233 L CA 1.690 56.506 54.840 -0.040 0.000 0.745 233 L CB -0.700 41.335 42.059 -0.040 0.000 0.894 233 L HN 0.086 nan 8.230 nan 0.000 0.432 234 L N -1.382 119.821 121.223 -0.033 0.000 2.042 234 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 234 L C 2.483 179.354 176.870 0.002 0.000 1.076 234 L CA 1.030 55.859 54.840 -0.018 0.000 0.749 234 L CB -0.514 41.570 42.059 0.042 0.000 0.893 234 L HN 0.336 nan 8.230 nan 0.000 0.432 235 L N -0.878 120.352 121.223 0.011 0.000 2.012 235 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 235 L C 2.393 179.262 176.870 -0.002 0.000 1.073 235 L CA 1.600 56.454 54.840 0.023 0.000 0.748 235 L CB -0.497 41.575 42.059 0.022 0.000 0.891 235 L HN -0.039 nan 8.230 nan 0.000 0.431 236 V N -0.501 119.395 119.914 -0.030 0.000 2.287 236 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 236 V C 2.596 178.641 176.094 -0.082 0.000 1.053 236 V CA 1.858 64.129 62.300 -0.050 0.000 1.027 236 V CB -0.661 31.125 31.823 -0.061 0.000 0.646 236 V HN 0.438 nan 8.190 nan 0.000 0.447 237 R N 0.177 120.590 120.500 -0.144 0.000 2.200 237 R HA -0.118 4.221 4.340 -0.000 0.000 0.234 237 R C 2.002 178.186 176.300 -0.192 0.000 1.127 237 R CA 1.307 57.246 56.100 -0.268 0.000 0.989 237 R CB -0.426 29.543 30.300 -0.551 0.000 0.869 237 R HN 0.546 nan 8.270 nan 0.000 0.459 238 A N 0.187 122.982 122.820 -0.043 0.000 2.251 238 A HA 0.122 4.442 4.320 -0.000 0.000 0.209 238 A C 0.822 178.425 177.584 0.032 0.000 1.187 238 A CA 0.017 52.109 52.037 0.091 0.000 0.823 238 A CB 0.082 19.164 19.000 0.137 0.000 0.846 238 A HN 0.113 nan 8.150 nan 0.000 0.486 239 M N 1.586 121.183 119.600 -0.006 0.000 2.435 239 M HA 0.151 4.631 4.480 -0.000 0.000 0.344 239 M C -1.033 175.256 176.300 -0.019 0.000 1.329 239 M CA -0.112 55.180 55.300 -0.014 0.000 1.320 239 M CB 0.206 32.796 32.600 -0.017 0.000 1.309 239 M HN 0.084 nan 8.290 nan 0.000 0.451 240 D N 5.301 125.692 120.400 -0.016 0.000 2.461 240 D HA 0.296 4.935 4.640 -0.000 0.000 0.240 240 D C -1.694 174.591 176.300 -0.025 0.000 1.094 240 D CA -2.006 51.984 54.000 -0.017 0.000 0.868 240 D CB 1.780 42.578 40.800 -0.004 0.000 1.062 240 D HN 0.193 nan 8.370 nan 0.000 0.530 241 P HA -0.182 nan 4.420 nan 0.000 0.220 241 P C 1.070 178.354 177.300 -0.026 0.000 1.144 241 P CA 0.710 63.797 63.100 -0.022 0.000 0.800 241 P CB 0.332 32.022 31.700 -0.016 0.000 0.772 242 A N 0.318 123.123 122.820 -0.025 0.000 1.865 242 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 242 A C 1.515 179.078 177.584 -0.036 0.000 1.191 242 A CA 1.591 53.612 52.037 -0.027 0.000 0.623 242 A CB -1.190 17.795 19.000 -0.025 0.000 0.826 242 A HN 0.218 nan 8.150 nan 0.000 0.444 243 V N 1.395 121.281 119.914 -0.046 0.000 2.288 243 V HA 0.303 4.423 4.120 -0.000 0.000 0.266 243 V C -1.931 174.110 176.094 -0.088 0.000 1.048 243 V CA -1.801 60.459 62.300 -0.068 0.000 0.842 243 V CB 1.197 32.972 31.823 -0.080 0.000 1.064 243 V HN 0.236 nan 8.190 nan 0.000 0.472 244 P HA -0.090 nan 4.420 nan 0.000 0.215 244 P C 1.333 178.571 177.300 -0.104 0.000 1.157 244 P CA 1.293 64.352 63.100 -0.068 0.000 0.868 244 P CB 0.180 31.852 31.700 -0.046 0.000 0.788 245 N N -0.978 117.636 118.700 -0.143 0.000 2.223 245 N HA -0.146 4.594 4.740 -0.000 0.000 0.185 245 N C 1.693 176.942 175.510 -0.436 0.000 1.016 245 N CA 1.085 54.016 53.050 -0.199 0.000 0.863 245 N CB -0.663 37.747 38.487 -0.129 0.000 0.983 245 N HN 0.219 nan 8.380 nan 0.000 0.429 246 M N -0.036 119.224 119.600 -0.566 0.000 2.156 246 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 246 M C 2.187 178.388 176.300 -0.164 0.000 1.067 246 M CA 1.146 56.142 55.300 -0.506 0.000 1.131 246 M CB 0.027 32.438 32.600 -0.315 0.000 1.368 246 M HN 0.048 nan 8.290 nan 0.000 0.416 247 M N 0.711 120.242 119.600 -0.115 0.000 2.080 247 M HA -0.228 4.252 4.480 -0.000 0.000 0.260 247 M C 1.782 178.067 176.300 -0.025 0.000 1.068 247 M CA 1.678 56.949 55.300 -0.048 0.000 1.109 247 M CB -0.218 32.358 32.600 -0.040 0.000 1.342 247 M HN 0.333 nan 8.290 nan 0.000 0.405 248 I N 0.882 121.433 120.570 -0.032 0.000 2.091 248 I HA -0.379 3.791 4.170 -0.000 0.000 0.240 248 I C 1.858 177.988 176.117 0.022 0.000 1.046 248 I CA 1.992 63.290 61.300 -0.003 0.000 1.306 248 I CB -2.013 35.988 38.000 0.001 0.000 1.018 248 I HN 0.344 nan 8.210 nan 0.000 0.404 249 D N 0.733 121.157 120.400 0.040 0.000 2.144 249 D HA -0.072 4.568 4.640 -0.000 0.000 0.199 249 D C 2.249 178.586 176.300 0.062 0.000 0.984 249 D CA 1.499 55.545 54.000 0.077 0.000 0.834 249 D CB -0.111 40.784 40.800 0.157 0.000 0.955 249 D HN 0.391 nan 8.370 nan 0.000 0.465 250 A N 0.754 123.602 122.820 0.046 0.000 1.897 250 A HA 0.084 4.404 4.320 -0.000 0.000 0.215 250 A C 2.265 179.869 177.584 0.033 0.000 1.181 250 A CA 1.854 53.915 52.037 0.041 0.000 0.620 250 A CB -0.712 18.308 19.000 0.033 0.000 0.821 250 A HN 0.218 nan 8.150 nan 0.000 0.443 251 A N -0.168 122.668 122.820 0.026 0.000 1.898 251 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 251 A C 2.077 179.682 177.584 0.035 0.000 1.181 251 A CA 1.787 53.841 52.037 0.029 0.000 0.620 251 A CB -0.437 18.578 19.000 0.024 0.000 0.819 251 A HN 0.497 nan 8.150 nan 0.000 0.442 252 K N -0.525 119.895 120.400 0.035 0.000 2.211 252 K HA -0.047 4.273 4.320 -0.000 0.000 0.204 252 K C 1.721 178.345 176.600 0.040 0.000 1.047 252 K CA 1.178 57.487 56.287 0.037 0.000 0.935 252 K CB -0.293 32.229 32.500 0.037 0.000 0.728 252 K HN 0.498 nan 8.250 nan 0.000 0.452 253 L N 0.141 121.390 121.223 0.043 0.000 2.068 253 L HA -0.114 4.226 4.340 -0.000 0.000 0.204 253 L C 2.119 179.014 176.870 0.041 0.000 1.076 253 L CA 0.761 55.627 54.840 0.044 0.000 0.753 253 L CB -0.324 41.764 42.059 0.049 0.000 0.910 253 L HN 0.114 nan 8.230 nan 0.000 0.439 254 L N -0.672 120.574 121.223 0.039 0.000 2.079 254 L HA -0.221 4.118 4.340 -0.000 0.000 0.210 254 L C 2.687 179.584 176.870 0.046 0.000 1.081 254 L CA 1.186 56.050 54.840 0.039 0.000 0.752 254 L CB -0.548 41.532 42.059 0.034 0.000 0.896 254 L HN 0.205 nan 8.230 nan 0.000 0.433 255 S N -0.231 115.498 115.700 0.047 0.000 2.382 255 S HA -0.144 4.326 4.470 -0.000 0.000 0.228 255 S C 2.193 176.821 174.600 0.047 0.000 1.027 255 S CA 1.106 59.337 58.200 0.052 0.000 0.991 255 S CB -0.299 62.931 63.200 0.049 0.000 0.823 255 S HN 0.509 nan 8.310 nan 0.000 0.469 256 A N 1.654 124.499 122.820 0.042 0.000 1.873 256 A HA 0.038 4.358 4.320 -0.000 0.000 0.215 256 A C 2.125 179.731 177.584 0.036 0.000 1.186 256 A CA 1.070 53.130 52.037 0.037 0.000 0.616 256 A CB -0.812 18.209 19.000 0.035 0.000 0.823 256 A HN 0.419 nan 8.150 nan 0.000 0.442 257 L N -0.566 120.680 121.223 0.037 0.000 2.013 257 L HA -0.310 4.029 4.340 -0.000 0.000 0.212 257 L C 2.767 179.660 176.870 0.038 0.000 1.073 257 L CA 1.584 56.445 54.840 0.034 0.000 0.753 257 L CB -0.812 41.267 42.059 0.033 0.000 0.890 257 L HN 0.500 nan 8.230 nan 0.000 0.432 258 C N 0.248 119.577 119.300 0.048 0.000 2.401 258 C HA -0.156 4.304 4.460 -0.000 0.000 0.276 258 C C 2.385 177.407 174.990 0.053 0.000 1.233 258 C CA 0.871 59.924 59.018 0.058 0.000 1.753 258 C CB -0.920 26.865 27.740 0.074 0.000 2.029 258 C HN 0.640 nan 8.230 nan 0.000 0.478 259 I N -1.438 119.161 120.570 0.047 0.000 3.749 259 I HA 0.238 4.408 4.170 -0.000 0.000 0.314 259 I C 0.272 176.409 176.117 0.032 0.000 1.267 259 I CA 0.292 61.617 61.300 0.041 0.000 1.169 259 I CB -0.815 37.209 38.000 0.040 0.000 1.009 259 I HN -0.053 nan 8.210 nan 0.000 0.444 260 L N 3.135 124.376 121.223 0.030 0.000 2.426 260 L HA 0.276 4.616 4.340 -0.000 0.000 0.271 260 L C -0.720 176.162 176.870 0.021 0.000 1.169 260 L CA -1.017 53.837 54.840 0.023 0.000 0.836 260 L CB -0.060 42.011 42.059 0.021 0.000 1.112 260 L HN 0.044 nan 8.230 nan 0.000 0.465 261 P HA -0.096 nan 4.420 nan 0.000 0.212 261 P C -0.400 176.907 177.300 0.011 0.000 1.180 261 P CA 1.065 64.173 63.100 0.014 0.000 0.902 261 P CB 0.261 31.969 31.700 0.013 0.000 0.778 262 Q N 0.442 120.248 119.800 0.011 0.000 2.282 262 Q HA 0.450 4.790 4.340 -0.000 0.000 0.260 262 Q C -2.304 173.701 176.000 0.008 0.000 0.964 262 Q CA -2.201 53.607 55.803 0.008 0.000 0.880 262 Q CB 0.833 29.577 28.738 0.009 0.000 1.286 262 Q HN 0.236 nan 8.270 nan 0.000 0.445 263 P HA 0.208 nan 4.420 nan 0.000 0.287 263 P C 0.493 177.792 177.300 -0.001 0.000 1.270 263 P CA -0.440 62.661 63.100 0.002 0.000 0.844 263 P CB 1.350 33.050 31.700 0.001 0.000 1.068 264 E N 0.852 121.049 120.200 -0.005 0.000 3.349 264 E HA -0.253 4.097 4.350 -0.000 0.000 0.407 264 E C -0.148 176.445 176.600 -0.013 0.000 1.343 264 E CA 1.746 58.139 56.400 -0.011 0.000 1.225 264 E CB -1.028 28.661 29.700 -0.018 0.000 1.191 264 E HN 0.593 nan 8.360 nan 0.000 0.401 265 D N 0.891 121.277 120.400 -0.024 0.000 2.499 265 D HA 0.090 4.730 4.640 -0.000 0.000 0.225 265 D C 1.068 177.361 176.300 -0.013 0.000 1.124 265 D CA -0.148 53.833 54.000 -0.032 0.000 0.938 265 D CB 0.642 41.398 40.800 -0.074 0.000 1.014 265 D HN 0.131 nan 8.370 nan 0.000 0.517 266 M N 1.647 121.251 119.600 0.008 0.000 2.156 266 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 266 M C 1.907 178.232 176.300 0.041 0.000 1.067 266 M CA 0.988 56.301 55.300 0.022 0.000 1.131 266 M CB -0.649 31.967 32.600 0.026 0.000 1.368 266 M HN 0.318 nan 8.290 nan 0.000 0.416 267 N N 0.500 119.237 118.700 0.063 0.000 2.272 267 N HA -0.215 4.525 4.740 -0.000 0.000 0.185 267 N C 1.221 176.810 175.510 0.132 0.000 1.014 267 N CA 1.401 54.518 53.050 0.112 0.000 0.870 267 N CB -0.621 37.962 38.487 0.160 0.000 0.975 267 N HN 0.523 nan 8.380 nan 0.000 0.433 268 E N 0.313 120.556 120.200 0.071 0.000 2.112 268 E HA 0.026 4.376 4.350 -0.000 0.000 0.190 268 E C 2.075 178.702 176.600 0.045 0.000 0.979 268 E CA 0.116 56.547 56.400 0.051 0.000 0.814 268 E CB -0.003 29.650 29.700 -0.080 0.000 0.762 268 E HN 0.387 nan 8.360 nan 0.000 0.460 269 R N 0.770 121.285 120.500 0.025 0.000 2.081 269 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 269 R C 2.422 178.736 176.300 0.024 0.000 1.131 269 R CA 1.037 57.147 56.100 0.018 0.000 0.960 269 R CB -0.356 29.950 30.300 0.010 0.000 0.856 269 R HN 0.069 nan 8.270 nan 0.000 0.436 270 V N 1.348 121.285 119.914 0.038 0.000 2.427 270 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 270 V C 2.291 178.403 176.094 0.029 0.000 1.051 270 V CA 1.203 63.523 62.300 0.033 0.000 1.048 270 V CB -0.434 31.418 31.823 0.048 0.000 0.666 270 V HN 0.207 nan 8.190 nan 0.000 0.456 271 L N -0.043 121.220 121.223 0.068 0.000 2.046 271 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 271 L C 2.549 179.427 176.870 0.014 0.000 1.077 271 L CA 1.908 56.787 54.840 0.065 0.000 0.747 271 L CB -0.613 41.562 42.059 0.193 0.000 0.896 271 L HN 0.249 nan 8.230 nan 0.000 0.432 272 E N -0.320 119.897 120.200 0.029 0.000 2.085 272 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 272 E C 2.128 178.718 176.600 -0.017 0.000 0.994 272 E CA 1.381 57.787 56.400 0.009 0.000 0.801 272 E CB -0.255 29.452 29.700 0.011 0.000 0.743 272 E HN 0.629 nan 8.360 nan 0.000 0.453 273 A N 0.510 123.317 122.820 -0.023 0.000 1.969 273 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 273 A C 2.210 179.756 177.584 -0.065 0.000 1.169 273 A CA 1.133 53.147 52.037 -0.038 0.000 0.635 273 A CB -0.377 18.604 19.000 -0.032 0.000 0.810 273 A HN 0.168 nan 8.150 nan 0.000 0.445 274 M N -0.501 119.047 119.600 -0.086 0.000 2.175 274 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 274 M C 2.087 178.297 176.300 -0.150 0.000 1.063 274 M CA 1.877 57.089 55.300 -0.148 0.000 1.119 274 M CB -0.543 31.915 32.600 -0.238 0.000 1.377 274 M HN 0.478 nan 8.290 nan 0.000 0.415 275 T N -0.615 113.873 114.554 -0.110 0.000 2.812 275 T HA -0.131 4.219 4.350 -0.000 0.000 0.264 275 T C 1.625 176.294 174.700 -0.052 0.000 1.042 275 T CA 1.154 63.210 62.100 -0.073 0.000 1.140 275 T CB -0.264 68.587 68.868 -0.028 0.000 0.870 275 T HN 0.450 nan 8.240 nan 0.000 0.445 276 E N 1.133 121.306 120.200 -0.046 0.000 2.077 276 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 276 E C 2.507 179.079 176.600 -0.047 0.000 0.989 276 E CA 0.778 57.156 56.400 -0.038 0.000 0.800 276 E CB -0.011 29.669 29.700 -0.034 0.000 0.746 276 E HN 0.295 nan 8.360 nan 0.000 0.452 277 R N 0.121 120.582 120.500 -0.064 0.000 2.062 277 R HA -0.087 4.253 4.340 -0.000 0.000 0.229 277 R C 2.215 178.476 176.300 -0.065 0.000 1.128 277 R CA 1.167 57.224 56.100 -0.072 0.000 0.960 277 R CB -0.304 29.942 30.300 -0.091 0.000 0.855 277 R HN 0.168 nan 8.270 nan 0.000 0.432 278 A N 1.276 124.054 122.820 -0.071 0.000 1.940 278 A HA -0.191 4.128 4.320 -0.000 0.000 0.219 278 A C 1.912 179.473 177.584 -0.038 0.000 1.176 278 A CA 1.668 53.669 52.037 -0.059 0.000 0.631 278 A CB -0.396 18.560 19.000 -0.073 0.000 0.814 278 A HN 0.523 nan 8.150 nan 0.000 0.446 279 E N -0.489 119.691 120.200 -0.034 0.000 2.107 279 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 279 E C 2.123 178.711 176.600 -0.020 0.000 0.982 279 E CA 1.381 57.769 56.400 -0.021 0.000 0.809 279 E CB -0.281 29.409 29.700 -0.016 0.000 0.756 279 E HN 0.930 nan 8.360 nan 0.000 0.459 280 M N -0.379 119.205 119.600 -0.027 0.000 2.492 280 M HA 0.021 4.501 4.480 -0.000 0.000 0.262 280 M C 0.231 176.517 176.300 -0.024 0.000 1.090 280 M CA 1.322 56.607 55.300 -0.024 0.000 1.110 280 M CB 0.215 32.797 32.600 -0.029 0.000 1.407 280 M HN -0.223 nan 8.290 nan 0.000 0.470 281 D N 1.185 121.569 120.400 -0.027 0.000 2.369 281 D HA 0.099 4.739 4.640 -0.000 0.000 0.211 281 D C -0.262 176.028 176.300 -0.017 0.000 1.077 281 D CA 0.224 54.210 54.000 -0.024 0.000 0.842 281 D CB 0.081 40.862 40.800 -0.031 0.000 0.947 281 D HN 0.443 nan 8.370 nan 0.000 0.509 282 E N -0.022 120.169 120.200 -0.015 0.000 2.228 282 E HA -0.167 4.183 4.350 -0.000 0.000 0.213 282 E C -0.775 175.820 176.600 -0.008 0.000 1.282 282 E CA 0.008 56.403 56.400 -0.009 0.000 0.707 282 E CB -0.902 28.795 29.700 -0.005 0.000 1.150 282 E HN 0.089 nan 8.360 nan 0.000 0.362 283 V N -0.429 119.477 119.914 -0.012 0.000 3.155 283 V HA 0.355 4.475 4.120 -0.000 0.000 0.313 283 V C 0.539 176.629 176.094 -0.008 0.000 1.162 283 V CA -1.086 61.208 62.300 -0.009 0.000 1.048 283 V CB 1.977 33.792 31.823 -0.014 0.000 1.092 283 V HN 0.029 nan 8.190 nan 0.000 0.447 284 E N 1.155 121.357 120.200 0.003 0.000 2.366 284 E HA 0.147 4.497 4.350 -0.000 0.000 0.266 284 E C 0.989 177.579 176.600 -0.016 0.000 1.051 284 E CA -0.189 56.221 56.400 0.016 0.000 0.884 284 E CB 1.161 30.890 29.700 0.049 0.000 1.006 284 E HN 0.689 nan 8.360 nan 0.000 0.417 285 R N 1.313 121.781 120.500 -0.054 0.000 2.115 285 R HA -0.026 4.314 4.340 -0.000 0.000 0.226 285 R C 1.208 177.303 176.300 -0.343 0.000 1.100 285 R CA 1.182 57.150 56.100 -0.221 0.000 0.980 285 R CB -0.175 29.934 30.300 -0.319 0.000 0.875 285 R HN 0.271 nan 8.270 nan 0.000 0.445 286 F N 0.995 120.943 119.950 -0.002 0.000 2.727 286 F HA 0.207 4.734 4.527 -0.000 0.000 0.302 286 F C 2.182 177.976 175.800 -0.011 0.000 1.097 286 F CA -0.187 57.809 58.000 -0.006 0.000 1.330 286 F CB 0.182 39.177 39.000 -0.007 0.000 1.084 286 F HN 0.010 nan 8.300 nan 0.000 0.578 287 Q N 1.578 121.437 119.800 0.100 0.000 2.096 287 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 287 Q C -0.762 175.259 176.000 0.035 0.000 0.982 287 Q CA 2.153 57.990 55.803 0.057 0.000 0.850 287 Q CB -1.379 27.375 28.738 0.027 0.000 0.901 287 Q HN 0.157 nan 8.270 nan 0.000 0.422 288 P HA -0.133 nan 4.420 nan 0.000 0.216 288 P C 1.051 178.364 177.300 0.022 0.000 1.153 288 P CA 1.058 64.159 63.100 0.002 0.000 0.848 288 P CB -0.071 31.615 31.700 -0.023 0.000 0.787 289 L N -1.309 119.948 121.223 0.057 0.000 2.017 289 L HA -0.158 4.181 4.340 -0.000 0.000 0.208 289 L C 2.295 179.195 176.870 0.049 0.000 1.073 289 L CA 1.196 56.083 54.840 0.078 0.000 0.745 289 L CB -0.843 41.323 42.059 0.179 0.000 0.894 289 L HN -0.014 nan 8.230 nan 0.000 0.432 290 L N -0.436 120.821 121.223 0.057 0.000 2.046 290 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 290 L C 2.283 179.154 176.870 0.002 0.000 1.077 290 L CA 1.760 56.612 54.840 0.019 0.000 0.747 290 L CB -1.382 40.694 42.059 0.027 0.000 0.896 290 L HN 0.308 nan 8.230 nan 0.000 0.432 291 D N -0.296 120.108 120.400 0.007 0.000 2.149 291 D HA -0.141 4.499 4.640 -0.000 0.000 0.198 291 D C 2.114 178.408 176.300 -0.010 0.000 0.990 291 D CA 1.425 55.424 54.000 -0.003 0.000 0.839 291 D CB -0.152 40.647 40.800 -0.002 0.000 0.948 291 D HN 0.373 nan 8.370 nan 0.000 0.460 292 G N 0.469 109.264 108.800 -0.008 0.000 2.408 292 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 292 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 292 G C 1.766 176.653 174.900 -0.021 0.000 1.150 292 G CA 0.060 45.152 45.100 -0.014 0.000 0.776 292 G HN 0.256 nan 8.290 nan 0.000 0.542 293 L N -0.090 121.118 121.223 -0.025 0.000 2.201 293 L HA 0.068 4.408 4.340 -0.000 0.000 0.212 293 L C 1.161 178.007 176.870 -0.039 0.000 1.105 293 L CA 0.418 55.234 54.840 -0.041 0.000 0.775 293 L CB -0.164 41.860 42.059 -0.057 0.000 0.913 293 L HN 0.062 nan 8.230 nan 0.000 0.440 294 K N 0.987 121.369 120.400 -0.030 0.000 2.436 294 K HA -0.022 4.297 4.320 -0.000 0.000 0.282 294 K C 1.204 177.788 176.600 -0.026 0.000 1.044 294 K CA 0.065 56.336 56.287 -0.027 0.000 1.028 294 K CB 0.598 33.087 32.500 -0.019 0.000 0.919 294 K HN 0.099 nan 8.250 nan 0.000 0.474 295 S N 1.863 117.547 115.700 -0.027 0.000 2.981 295 S HA -0.041 4.428 4.470 -0.000 0.000 0.235 295 S C 1.274 175.861 174.600 -0.021 0.000 0.983 295 S CA 0.225 58.409 58.200 -0.026 0.000 1.051 295 S CB -0.068 63.115 63.200 -0.029 0.000 0.814 295 S HN 0.743 nan 8.310 nan 0.000 0.518 296 G N 1.189 109.978 108.800 -0.019 0.000 2.887 296 G HA2 0.165 4.124 3.960 -0.000 0.000 0.211 296 G HA3 0.165 4.124 3.960 -0.000 0.000 0.211 296 G C 0.838 175.728 174.900 -0.016 0.000 1.152 296 G CA 0.403 45.493 45.100 -0.016 0.000 0.769 296 G HN 0.650 nan 8.290 nan 0.000 0.541 297 T N -0.281 114.262 114.554 -0.018 0.000 3.332 297 T HA 0.424 4.774 4.350 -0.000 0.000 0.367 297 T C 1.096 175.785 174.700 -0.017 0.000 1.244 297 T CA 0.336 62.425 62.100 -0.018 0.000 0.977 297 T CB 0.363 69.219 68.868 -0.020 0.000 1.784 297 T HN 0.346 nan 8.240 nan 0.000 0.553 298 S N -1.008 114.682 115.700 -0.018 0.000 2.745 298 S HA 0.452 4.922 4.470 -0.000 0.000 0.292 298 S C 0.924 175.514 174.600 -0.016 0.000 1.133 298 S CA -0.743 57.448 58.200 -0.015 0.000 0.998 298 S CB 0.905 64.096 63.200 -0.014 0.000 1.087 298 S HN 0.613 nan 8.310 nan 0.000 0.551 299 I N 0.926 121.488 120.570 -0.013 0.000 2.584 299 I HA 0.246 4.416 4.170 -0.000 0.000 0.255 299 I C 2.290 178.400 176.117 -0.012 0.000 1.145 299 I CA 1.361 62.653 61.300 -0.014 0.000 1.462 299 I CB -0.967 37.026 38.000 -0.012 0.000 1.102 299 I HN 0.839 nan 8.210 nan 0.000 0.433 300 A N 0.247 123.062 122.820 -0.008 0.000 1.930 300 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 300 A C 2.177 179.757 177.584 -0.007 0.000 1.175 300 A CA 1.706 53.740 52.037 -0.005 0.000 0.627 300 A CB -1.022 17.978 19.000 -0.000 0.000 0.815 300 A HN 0.471 nan 8.150 nan 0.000 0.443 301 L N -0.137 121.079 121.223 -0.012 0.000 2.093 301 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 301 L C 2.147 179.007 176.870 -0.016 0.000 1.085 301 L CA 2.037 56.868 54.840 -0.015 0.000 0.755 301 L CB -0.507 41.540 42.059 -0.020 0.000 0.904 301 L HN 0.327 nan 8.230 nan 0.000 0.435 302 K N -1.228 119.160 120.400 -0.020 0.000 2.057 302 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 302 K C 1.907 178.490 176.600 -0.028 0.000 1.049 302 K CA 1.643 57.913 56.287 -0.029 0.000 0.931 302 K CB -0.292 32.188 32.500 -0.033 0.000 0.714 302 K HN 0.254 nan 8.250 nan 0.000 0.440 303 V N 0.730 120.633 119.914 -0.019 0.000 2.307 303 V HA -0.156 3.963 4.120 -0.000 0.000 0.245 303 V C 2.402 178.494 176.094 -0.003 0.000 1.045 303 V CA 2.119 64.412 62.300 -0.013 0.000 1.024 303 V CB -1.080 30.739 31.823 -0.006 0.000 0.651 303 V HN 0.487 nan 8.190 nan 0.000 0.449 304 G N -0.879 107.921 108.800 0.000 0.000 2.505 304 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.220 304 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.220 304 G C 1.712 176.620 174.900 0.013 0.000 1.145 304 G CA 1.586 46.692 45.100 0.009 0.000 0.761 304 G HN 0.536 nan 8.290 nan 0.000 0.571 305 C N -0.568 118.734 119.300 0.004 0.000 2.489 305 C HA 0.103 4.563 4.460 -0.000 0.000 0.279 305 C C 2.659 177.653 174.990 0.008 0.000 1.266 305 C CA 0.671 59.694 59.018 0.009 0.000 1.707 305 C CB -0.951 26.787 27.740 -0.003 0.000 2.059 305 C HN 0.429 nan 8.230 nan 0.000 0.481 306 L N 0.960 122.171 121.223 -0.021 0.000 2.191 306 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 306 L C 2.506 179.389 176.870 0.021 0.000 1.103 306 L CA 1.639 56.457 54.840 -0.037 0.000 0.769 306 L CB -0.912 41.098 42.059 -0.083 0.000 0.908 306 L HN 0.435 nan 8.230 nan 0.000 0.438 307 Q N -1.107 118.710 119.800 0.028 0.000 2.016 307 Q HA -0.226 4.114 4.340 -0.000 0.000 0.200 307 Q C 2.213 178.251 176.000 0.064 0.000 0.978 307 Q CA 1.904 57.734 55.803 0.046 0.000 0.833 307 Q CB -0.224 28.536 28.738 0.035 0.000 0.895 307 Q HN 0.488 nan 8.270 nan 0.000 0.427 308 L N 0.844 122.105 121.223 0.063 0.000 2.083 308 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 308 L C 2.018 178.958 176.870 0.115 0.000 1.083 308 L CA 1.425 56.314 54.840 0.083 0.000 0.752 308 L CB -0.404 41.700 42.059 0.076 0.000 0.899 308 L HN 0.298 nan 8.230 nan 0.000 0.433 309 I N -0.202 120.436 120.570 0.113 0.000 2.163 309 I HA -0.353 3.816 4.170 -0.000 0.000 0.243 309 I C 2.117 178.327 176.117 0.156 0.000 1.085 309 I CA 1.466 62.846 61.300 0.135 0.000 1.347 309 I CB -0.556 37.490 38.000 0.078 0.000 1.044 309 I HN 0.372 nan 8.210 nan 0.000 0.408 310 N N 0.944 119.736 118.700 0.154 0.000 2.166 310 N HA -0.107 4.632 4.740 -0.000 0.000 0.186 310 N C 1.723 177.297 175.510 0.107 0.000 1.019 310 N CA 1.544 54.682 53.050 0.147 0.000 0.856 310 N CB -0.295 38.273 38.487 0.135 0.000 0.993 310 N HN 0.361 nan 8.380 nan 0.000 0.426 311 A N -0.025 122.856 122.820 0.101 0.000 2.206 311 A HA 0.098 4.418 4.320 -0.000 0.000 0.211 311 A C 2.172 179.824 177.584 0.114 0.000 1.158 311 A CA 0.432 52.525 52.037 0.093 0.000 0.761 311 A CB -0.225 18.823 19.000 0.080 0.000 0.801 311 A HN 0.180 nan 8.150 nan 0.000 0.473 312 L N -1.173 120.132 121.223 0.136 0.000 2.221 312 L HA 0.102 4.441 4.340 -0.000 0.000 0.202 312 L C 2.203 179.170 176.870 0.162 0.000 1.074 312 L CA 0.662 55.605 54.840 0.171 0.000 0.795 312 L CB -0.196 41.991 42.059 0.214 0.000 0.960 312 L HN 0.331 nan 8.230 nan 0.000 0.458 313 I N -0.927 119.704 120.570 0.102 0.000 2.333 313 I HA -0.163 4.007 4.170 -0.000 0.000 0.246 313 I C 2.324 178.485 176.117 0.074 0.000 1.106 313 I CA 1.122 62.451 61.300 0.049 0.000 1.411 313 I CB -0.470 37.517 38.000 -0.022 0.000 1.082 313 I HN 0.176 nan 8.210 nan 0.000 0.420 314 T N 1.205 115.800 114.554 0.069 0.000 2.777 314 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 314 T C -0.452 174.293 174.700 0.074 0.000 1.040 314 T CA 1.156 63.289 62.100 0.055 0.000 1.141 314 T CB -1.279 67.615 68.868 0.043 0.000 0.868 314 T HN 0.244 nan 8.240 nan 0.000 0.444 315 P HA 0.240 nan 4.420 nan 0.000 0.230 315 P C 0.137 177.499 177.300 0.102 0.000 1.158 315 P CA 0.260 63.411 63.100 0.085 0.000 0.769 315 P CB -0.138 31.611 31.700 0.083 0.000 0.807 316 A N 0.431 123.351 122.820 0.167 0.000 2.445 316 A HA 0.066 4.386 4.320 -0.000 0.000 0.242 316 A C 1.149 178.818 177.584 0.141 0.000 1.075 316 A CA 0.212 52.381 52.037 0.220 0.000 0.777 316 A CB 0.223 19.531 19.000 0.513 0.000 1.013 316 A HN 0.103 nan 8.150 nan 0.000 0.493 317 E N 0.590 120.845 120.200 0.093 0.000 2.330 317 E HA 0.012 4.362 4.350 -0.000 0.000 0.200 317 E C -0.345 176.298 176.600 0.072 0.000 0.922 317 E CA 0.105 56.542 56.400 0.062 0.000 0.935 317 E CB 0.254 29.969 29.700 0.024 0.000 0.917 317 E HN 0.819 nan 8.360 nan 0.000 0.491 318 E N 1.860 122.112 120.200 0.087 0.000 2.223 318 E HA 0.027 4.377 4.350 -0.000 0.000 0.282 318 E C 0.637 177.326 176.600 0.148 0.000 1.046 318 E CA -0.244 56.213 56.400 0.095 0.000 0.857 318 E CB 1.649 31.389 29.700 0.067 0.000 1.055 318 E HN 0.019 nan 8.360 nan 0.000 0.409 319 L N 4.281 125.564 121.223 0.100 0.000 2.042 319 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 319 L C 1.345 178.277 176.870 0.104 0.000 1.076 319 L CA 2.035 56.928 54.840 0.090 0.000 0.749 319 L CB -0.219 41.874 42.059 0.058 0.000 0.893 319 L HN 0.491 nan 8.230 nan 0.000 0.432 320 D N -1.052 119.414 120.400 0.110 0.000 2.178 320 D HA -0.215 4.425 4.640 -0.000 0.000 0.201 320 D C 1.958 178.358 176.300 0.168 0.000 0.980 320 D CA 1.340 55.408 54.000 0.113 0.000 0.842 320 D CB -0.174 40.675 40.800 0.082 0.000 0.948 320 D HN 0.478 nan 8.370 nan 0.000 0.472 321 F N 1.725 121.703 119.950 0.046 0.000 2.206 321 F HA -0.012 4.515 4.527 -0.001 0.000 0.298 321 F C 2.240 178.102 175.800 0.103 0.000 1.090 321 F CA 1.004 59.046 58.000 0.070 0.000 1.323 321 F CB 0.078 39.102 39.000 0.040 0.000 1.028 321 F HN -0.240 nan 8.300 nan 0.000 0.492 322 R N 0.010 120.509 120.500 -0.003 0.000 2.070 322 R HA -0.127 4.212 4.340 -0.000 0.000 0.233 322 R C 2.160 178.390 176.300 -0.117 0.000 1.137 322 R CA 1.831 57.866 56.100 -0.109 0.000 0.945 322 R CB -0.970 29.330 30.300 0.000 0.000 0.845 322 R HN 0.250 nan 8.270 nan 0.000 0.430 323 V N 0.176 120.074 119.914 -0.026 0.000 2.287 323 V HA -0.281 3.838 4.120 -0.000 0.000 0.248 323 V C 2.187 178.270 176.094 -0.018 0.000 1.053 323 V CA 2.258 64.553 62.300 -0.008 0.000 1.027 323 V CB -0.789 31.061 31.823 0.044 0.000 0.646 323 V HN 0.390 nan 8.190 nan 0.000 0.447 324 H N -0.341 118.676 119.070 -0.089 0.000 2.352 324 H HA -0.141 4.415 4.556 -0.000 0.000 0.299 324 H C 2.073 177.322 175.328 -0.133 0.000 1.097 324 H CA 2.022 58.025 56.048 -0.076 0.000 1.311 324 H CB 0.048 29.788 29.762 -0.036 0.000 1.377 324 H HN 0.235 nan 8.280 nan 0.000 0.504 325 I N 0.283 120.726 120.570 -0.212 0.000 2.193 325 I HA -0.166 4.004 4.170 -0.000 0.000 0.240 325 I C 2.607 178.541 176.117 -0.305 0.000 1.084 325 I CA 1.169 62.295 61.300 -0.291 0.000 1.365 325 I CB -1.095 36.681 38.000 -0.374 0.000 1.064 325 I HN 0.309 nan 8.210 nan 0.000 0.410 326 R N 0.615 120.986 120.500 -0.215 0.000 2.117 326 R HA -0.162 4.177 4.340 -0.000 0.000 0.243 326 R C 2.422 178.654 176.300 -0.114 0.000 1.143 326 R CA 1.941 57.962 56.100 -0.131 0.000 0.968 326 R CB 0.035 30.274 30.300 -0.101 0.000 0.863 326 R HN 0.226 nan 8.270 nan 0.000 0.444 327 S N 0.131 115.753 115.700 -0.130 0.000 2.387 327 S HA -0.138 4.332 4.470 -0.000 0.000 0.226 327 S C 1.614 176.131 174.600 -0.139 0.000 1.026 327 S CA 1.130 59.263 58.200 -0.112 0.000 0.972 327 S CB -0.079 63.067 63.200 -0.090 0.000 0.814 327 S HN 0.443 nan 8.310 nan 0.000 0.477 328 E N 0.802 120.873 120.200 -0.215 0.000 2.077 328 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 328 E C 1.784 178.278 176.600 -0.177 0.000 0.989 328 E CA 0.800 57.090 56.400 -0.184 0.000 0.800 328 E CB -0.039 29.550 29.700 -0.184 0.000 0.746 328 E HN 0.214 nan 8.360 nan 0.000 0.452 329 L N 0.576 121.616 121.223 -0.305 0.000 2.012 329 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 329 L C 2.437 179.242 176.870 -0.109 0.000 1.073 329 L CA 1.611 56.291 54.840 -0.267 0.000 0.748 329 L CB -1.059 40.832 42.059 -0.280 0.000 0.891 329 L HN 0.388 nan 8.230 nan 0.000 0.431 330 M N -1.039 118.520 119.600 -0.069 0.000 2.132 330 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 330 M C 2.260 178.544 176.300 -0.025 0.000 1.065 330 M CA 1.258 56.546 55.300 -0.019 0.000 1.122 330 M CB -1.042 31.556 32.600 -0.003 0.000 1.365 330 M HN 0.235 nan 8.290 nan 0.000 0.411 331 R N -0.323 120.156 120.500 -0.036 0.000 2.159 331 R HA -0.098 4.242 4.340 -0.000 0.000 0.237 331 R C 1.644 177.942 176.300 -0.004 0.000 1.131 331 R CA 0.768 56.859 56.100 -0.015 0.000 0.982 331 R CB -0.249 30.049 30.300 -0.002 0.000 0.868 331 R HN 0.228 nan 8.270 nan 0.000 0.453 332 L N -0.190 121.028 121.223 -0.008 0.000 2.591 332 L HA 0.151 4.491 4.340 -0.000 0.000 0.228 332 L C 0.773 177.644 176.870 0.001 0.000 1.133 332 L CA 1.061 55.905 54.840 0.007 0.000 0.880 332 L CB -0.191 41.882 42.059 0.024 0.000 1.033 332 L HN 0.469 nan 8.230 nan 0.000 0.450 333 G N -0.468 108.330 108.800 -0.003 0.000 2.140 333 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.211 333 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.211 333 G C 1.032 175.931 174.900 -0.002 0.000 1.013 333 G CA 0.370 45.472 45.100 0.004 0.000 0.705 333 G HN 0.326 nan 8.290 nan 0.000 0.508 334 L N -0.270 120.945 121.223 -0.014 0.000 2.109 334 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 334 L C 2.506 179.351 176.870 -0.042 0.000 1.086 334 L CA 1.968 56.773 54.840 -0.057 0.000 0.760 334 L CB -0.336 41.667 42.059 -0.093 0.000 0.910 334 L HN 0.589 nan 8.230 nan 0.000 0.437 335 H N 0.418 119.454 119.070 -0.057 0.000 2.352 335 H HA -0.228 4.328 4.556 -0.000 0.000 0.299 335 H C 1.942 177.241 175.328 -0.048 0.000 1.097 335 H CA 2.201 58.225 56.048 -0.040 0.000 1.311 335 H CB 0.237 29.989 29.762 -0.018 0.000 1.377 335 H HN 0.439 nan 8.280 nan 0.000 0.504 336 Q N -0.178 119.690 119.800 0.113 0.000 2.297 336 Q HA -0.020 4.320 4.340 -0.000 0.000 0.204 336 Q C 2.574 178.554 176.000 -0.033 0.000 0.962 336 Q CA 0.992 56.830 55.803 0.059 0.000 0.879 336 Q CB 0.168 28.940 28.738 0.056 0.000 0.947 336 Q HN 0.270 nan 8.270 nan 0.000 0.462 337 V N -0.043 119.834 119.914 -0.061 0.000 2.649 337 V HA -0.106 4.014 4.120 -0.000 0.000 0.248 337 V C 1.947 177.963 176.094 -0.129 0.000 1.054 337 V CA 0.911 63.160 62.300 -0.085 0.000 1.073 337 V CB -0.389 31.385 31.823 -0.081 0.000 0.699 337 V HN 0.328 nan 8.190 nan 0.000 0.463 338 L N -0.046 121.066 121.223 -0.186 0.000 2.046 338 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 338 L C 2.836 179.589 176.870 -0.194 0.000 1.077 338 L CA 1.346 56.048 54.840 -0.229 0.000 0.747 338 L CB -0.532 41.346 42.059 -0.301 0.000 0.896 338 L HN 0.360 nan 8.230 nan 0.000 0.432 339 Q N 0.007 119.683 119.800 -0.206 0.000 2.170 339 Q HA -0.207 4.133 4.340 -0.000 0.000 0.203 339 Q C 1.915 177.861 176.000 -0.091 0.000 0.976 339 Q CA 1.372 57.088 55.803 -0.145 0.000 0.858 339 Q CB -0.265 28.404 28.738 -0.116 0.000 0.907 339 Q HN 0.608 nan 8.270 nan 0.000 0.433 340 E N 0.061 120.211 120.200 -0.083 0.000 2.216 340 E HA -0.009 4.341 4.350 -0.000 0.000 0.192 340 E C 1.904 178.467 176.600 -0.062 0.000 0.988 340 E CA 0.307 56.671 56.400 -0.061 0.000 0.834 340 E CB 0.146 29.815 29.700 -0.052 0.000 0.772 340 E HN 0.286 nan 8.360 nan 0.000 0.479 341 L N 0.169 121.345 121.223 -0.079 0.000 2.375 341 L HA 0.059 4.399 4.340 -0.000 0.000 0.215 341 L C 2.063 178.894 176.870 -0.065 0.000 1.108 341 L CA 0.320 55.116 54.840 -0.074 0.000 0.830 341 L CB -0.087 41.916 42.059 -0.094 0.000 0.959 341 L HN -0.014 nan 8.230 nan 0.000 0.457 342 R N 0.089 120.547 120.500 -0.069 0.000 2.323 342 R HA -0.031 4.309 4.340 -0.000 0.000 0.198 342 R C 1.434 177.709 176.300 -0.041 0.000 0.988 342 R CA 0.314 56.382 56.100 -0.055 0.000 1.041 342 R CB 0.141 30.405 30.300 -0.060 0.000 0.926 342 R HN 0.394 nan 8.270 nan 0.000 0.476 343 E N 0.608 120.784 120.200 -0.041 0.000 2.250 343 E HA 0.009 4.359 4.350 -0.000 0.000 0.192 343 E C 0.304 176.888 176.600 -0.027 0.000 0.986 343 E CA 0.346 56.727 56.400 -0.031 0.000 0.849 343 E CB 0.212 29.893 29.700 -0.031 0.000 0.797 343 E HN 0.181 nan 8.360 nan 0.000 0.482 344 I N 2.666 123.219 120.570 -0.029 0.000 2.533 344 I HA -0.069 4.101 4.170 -0.000 0.000 0.284 344 I C 0.957 177.061 176.117 -0.021 0.000 1.109 344 I CA 0.416 61.702 61.300 -0.025 0.000 1.412 344 I CB 0.572 38.556 38.000 -0.027 0.000 1.396 344 I HN -0.234 nan 8.210 nan 0.000 0.543 345 E N 5.768 125.958 120.200 -0.017 0.000 2.325 345 E HA 0.061 4.411 4.350 -0.000 0.000 0.295 345 E C -0.456 176.137 176.600 -0.012 0.000 1.461 345 E CA -0.095 56.297 56.400 -0.014 0.000 1.698 345 E CB -0.272 29.421 29.700 -0.012 0.000 1.496 345 E HN 0.429 nan 8.360 nan 0.000 0.474 346 N N 1.850 120.542 118.700 -0.013 0.000 2.424 346 N HA 0.014 4.753 4.740 -0.000 0.000 0.271 346 N C 0.808 176.312 175.510 -0.009 0.000 0.985 346 N CA -0.175 52.868 53.050 -0.011 0.000 0.921 346 N CB 1.238 39.717 38.487 -0.013 0.000 1.149 346 N HN -0.019 nan 8.380 nan 0.000 0.492 347 E N 2.293 122.490 120.200 -0.006 0.000 2.038 347 E HA -0.164 4.185 4.350 -0.000 0.000 0.195 347 E C 0.446 177.045 176.600 -0.002 0.000 1.000 347 E CA 1.486 57.884 56.400 -0.003 0.000 0.803 347 E CB 0.069 29.768 29.700 -0.002 0.000 0.750 347 E HN 0.649 nan 8.360 nan 0.000 0.448 348 D N -0.111 120.289 120.400 -0.001 0.000 2.309 348 D HA -0.139 4.500 4.640 -0.000 0.000 0.212 348 D C 1.845 178.145 176.300 -0.000 0.000 0.968 348 D CA 0.630 54.631 54.000 0.001 0.000 0.882 348 D CB -0.078 40.723 40.800 0.002 0.000 0.918 348 D HN 0.146 nan 8.370 nan 0.000 0.503 349 M N 0.610 120.206 119.600 -0.006 0.000 2.276 349 M HA 0.026 4.506 4.480 -0.000 0.000 0.262 349 M C 1.693 177.986 176.300 -0.011 0.000 1.098 349 M CA 1.401 56.693 55.300 -0.013 0.000 1.167 349 M CB 0.084 32.672 32.600 -0.020 0.000 1.337 349 M HN -0.334 nan 8.290 nan 0.000 0.446 350 K N -0.383 120.012 120.400 -0.009 0.000 2.218 350 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 350 K C 1.739 178.342 176.600 0.005 0.000 1.046 350 K CA 1.488 57.771 56.287 -0.005 0.000 0.933 350 K CB -0.463 32.034 32.500 -0.006 0.000 0.728 350 K HN 0.274 nan 8.250 nan 0.000 0.454 351 V N 1.428 121.347 119.914 0.007 0.000 2.223 351 V HA -0.274 3.846 4.120 -0.000 0.000 0.244 351 V C 2.351 178.461 176.094 0.027 0.000 1.045 351 V CA 1.673 63.982 62.300 0.015 0.000 1.000 351 V CB -0.472 31.359 31.823 0.013 0.000 0.635 351 V HN 0.339 nan 8.190 nan 0.000 0.445 352 Q N -0.394 119.422 119.800 0.026 0.000 2.135 352 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 352 Q C 2.247 178.287 176.000 0.068 0.000 0.981 352 Q CA 1.534 57.363 55.803 0.043 0.000 0.856 352 Q CB -0.566 28.187 28.738 0.024 0.000 0.902 352 Q HN 0.572 nan 8.270 nan 0.000 0.425 353 L N -0.075 121.170 121.223 0.036 0.000 1.976 353 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 353 L C 2.855 179.785 176.870 0.101 0.000 1.071 353 L CA 1.468 56.337 54.840 0.049 0.000 0.746 353 L CB -0.728 41.332 42.059 0.001 0.000 0.890 353 L HN 0.355 nan 8.230 nan 0.000 0.432 354 C N -0.627 118.708 119.300 0.058 0.000 2.401 354 C HA -0.150 4.310 4.460 -0.000 0.000 0.276 354 C C 2.757 177.782 174.990 0.058 0.000 1.233 354 C CA 0.952 59.999 59.018 0.048 0.000 1.753 354 C CB -0.600 27.154 27.740 0.025 0.000 2.029 354 C HN 0.366 nan 8.230 nan 0.000 0.478 355 V N 0.281 120.237 119.914 0.070 0.000 2.295 355 V HA -0.154 3.965 4.120 -0.000 0.000 0.246 355 V C 2.210 178.354 176.094 0.084 0.000 1.049 355 V CA 2.526 64.865 62.300 0.065 0.000 1.024 355 V CB -1.100 30.764 31.823 0.068 0.000 0.648 355 V HN 0.657 nan 8.190 nan 0.000 0.447 356 F N 1.369 121.312 119.950 -0.011 0.000 2.161 356 F HA -0.220 4.307 4.527 -0.000 0.000 0.300 356 F C 2.180 177.972 175.800 -0.014 0.000 1.089 356 F CA 2.091 60.082 58.000 -0.015 0.000 1.282 356 F CB -0.228 38.756 39.000 -0.026 0.000 1.010 356 F HN 0.245 nan 8.300 nan 0.000 0.485 357 D N 0.111 120.578 120.400 0.111 0.000 2.103 357 D HA -0.146 4.493 4.640 -0.000 0.000 0.199 357 D C 2.146 178.418 176.300 -0.047 0.000 0.978 357 D CA 1.314 55.327 54.000 0.022 0.000 0.829 357 D CB -0.556 40.285 40.800 0.069 0.000 0.981 357 D HN 0.443 nan 8.370 nan 0.000 0.464 358 E N 0.236 120.422 120.200 -0.023 0.000 2.130 358 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 358 E C 1.961 178.530 176.600 -0.052 0.000 0.998 358 E CA 0.987 57.369 56.400 -0.030 0.000 0.806 358 E CB 0.071 29.761 29.700 -0.016 0.000 0.738 358 E HN 0.054 nan 8.360 nan 0.000 0.459 359 Q N -0.132 119.613 119.800 -0.091 0.000 2.172 359 Q HA -0.045 4.294 4.340 -0.000 0.000 0.200 359 Q C 1.953 177.873 176.000 -0.135 0.000 0.964 359 Q CA 1.587 57.322 55.803 -0.112 0.000 0.855 359 Q CB -0.400 28.249 28.738 -0.149 0.000 0.918 359 Q HN 0.271 nan 8.270 nan 0.000 0.444 360 G N -0.166 108.509 108.800 -0.208 0.000 2.448 360 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 360 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 360 G C 0.944 175.834 174.900 -0.017 0.000 1.135 360 G CA 0.790 45.789 45.100 -0.169 0.000 0.784 360 G HN 0.315 nan 8.290 nan 0.000 0.543 361 D N 0.560 120.962 120.400 0.003 0.000 2.137 361 D HA -0.022 4.618 4.640 -0.000 0.000 0.202 361 D C 2.258 178.669 176.300 0.185 0.000 0.970 361 D CA 0.563 54.617 54.000 0.089 0.000 0.837 361 D CB -0.183 40.640 40.800 0.040 0.000 0.981 361 D HN 0.355 nan 8.370 nan 0.000 0.475 362 E N 0.459 120.717 120.200 0.096 0.000 2.160 362 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 362 E C 1.278 177.978 176.600 0.168 0.000 0.991 362 E CA 0.786 57.255 56.400 0.114 0.000 0.810 362 E CB 0.182 29.897 29.700 0.025 0.000 0.742 362 E HN 0.193 nan 8.360 nan 0.000 0.466 363 D N -0.103 120.370 120.400 0.122 0.000 2.097 363 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 363 D C 1.585 177.973 176.300 0.146 0.000 0.984 363 D CA 0.657 54.721 54.000 0.108 0.000 0.826 363 D CB -0.302 40.533 40.800 0.059 0.000 0.973 363 D HN 0.132 nan 8.370 nan 0.000 0.460 364 F N 0.436 120.419 119.950 0.055 0.000 2.171 364 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 364 F C 2.054 177.898 175.800 0.074 0.000 1.090 364 F CA 0.933 58.964 58.000 0.051 0.000 1.293 364 F CB -0.320 38.703 39.000 0.039 0.000 1.013 364 F HN -0.126 nan 8.300 nan 0.000 0.486 365 F N 1.390 121.368 119.950 0.047 0.000 2.102 365 F HA -0.212 4.315 4.527 0.000 0.000 0.298 365 F C 2.167 177.898 175.800 -0.116 0.000 1.105 365 F CA 2.160 60.134 58.000 -0.043 0.000 1.239 365 F CB -0.628 38.397 39.000 0.041 0.000 0.991 365 F HN -0.081 nan 8.300 nan 0.000 0.474 366 D N 0.130 120.586 120.400 0.093 0.000 2.144 366 D HA -0.159 4.480 4.640 -0.000 0.000 0.200 366 D C 2.415 178.641 176.300 -0.124 0.000 0.978 366 D CA 0.801 54.806 54.000 0.008 0.000 0.833 366 D CB -0.466 40.379 40.800 0.074 0.000 0.961 366 D HN 0.235 nan 8.370 nan 0.000 0.470 367 L N 0.749 121.879 121.223 -0.155 0.000 2.217 367 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 367 L C 2.060 178.746 176.870 -0.307 0.000 1.107 367 L CA 1.204 55.930 54.840 -0.189 0.000 0.783 367 L CB -0.298 41.669 42.059 -0.153 0.000 0.919 367 L HN 0.005 nan 8.230 nan 0.000 0.442 368 K N -0.453 119.655 120.400 -0.487 0.000 2.025 368 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 368 K C 1.861 178.234 176.600 -0.377 0.000 1.049 368 K CA 1.374 57.351 56.287 -0.516 0.000 0.933 368 K CB -0.225 31.867 32.500 -0.680 0.000 0.714 368 K HN 0.363 nan 8.250 nan 0.000 0.438 369 G N 0.599 109.152 108.800 -0.410 0.000 2.509 369 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 369 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 369 G C 1.466 176.260 174.900 -0.176 0.000 1.124 369 G CA 0.120 45.041 45.100 -0.298 0.000 0.776 369 G HN 0.235 nan 8.290 nan 0.000 0.547 370 R N -0.192 120.213 120.500 -0.158 0.000 2.090 370 R HA 0.118 4.458 4.340 -0.000 0.000 0.228 370 R C 2.196 178.437 176.300 -0.098 0.000 1.110 370 R CA 0.596 56.635 56.100 -0.102 0.000 0.973 370 R CB -0.280 29.971 30.300 -0.081 0.000 0.869 370 R HN 0.363 nan 8.270 nan 0.000 0.440 371 L N 1.148 122.298 121.223 -0.122 0.000 2.291 371 L HA -0.112 4.228 4.340 -0.000 0.000 0.214 371 L C 0.637 177.449 176.870 -0.096 0.000 1.120 371 L CA 1.812 56.591 54.840 -0.102 0.000 0.799 371 L CB -0.626 41.365 42.059 -0.114 0.000 0.925 371 L HN 0.111 nan 8.230 nan 0.000 0.446 372 D N 0.422 120.753 120.400 -0.116 0.000 2.097 372 D HA -0.159 4.481 4.640 -0.000 0.000 0.197 372 D C 1.751 178.006 176.300 -0.074 0.000 0.984 372 D CA 1.172 55.113 54.000 -0.099 0.000 0.826 372 D CB 0.052 40.781 40.800 -0.119 0.000 0.973 372 D HN 0.345 nan 8.370 nan 0.000 0.460 373 D N 0.597 120.954 120.400 -0.072 0.000 2.104 373 D HA -0.126 4.514 4.640 -0.000 0.000 0.194 373 D C 2.245 178.516 176.300 -0.049 0.000 0.994 373 D CA 0.384 54.352 54.000 -0.054 0.000 0.830 373 D CB -0.220 40.551 40.800 -0.048 0.000 0.959 373 D HN 0.136 nan 8.370 nan 0.000 0.452 374 I N 1.079 121.617 120.570 -0.052 0.000 2.113 374 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 374 I C 2.283 178.370 176.117 -0.049 0.000 1.064 374 I CA 1.313 62.585 61.300 -0.047 0.000 1.320 374 I CB -0.918 37.053 38.000 -0.048 0.000 1.028 374 I HN 0.079 nan 8.210 nan 0.000 0.406 375 R N -0.390 120.078 120.500 -0.054 0.000 2.241 375 R HA -0.131 4.208 4.340 -0.000 0.000 0.224 375 R C 2.106 178.374 176.300 -0.053 0.000 1.101 375 R CA 1.155 57.222 56.100 -0.055 0.000 0.995 375 R CB -0.157 30.111 30.300 -0.054 0.000 0.870 375 R HN 0.404 nan 8.270 nan 0.000 0.463 376 M N -0.683 118.889 119.600 -0.048 0.000 2.615 376 M HA 0.016 4.496 4.480 -0.000 0.000 0.262 376 M C 1.231 177.508 176.300 -0.038 0.000 1.198 376 M CA 1.126 56.401 55.300 -0.041 0.000 1.165 376 M CB 0.635 33.214 32.600 -0.036 0.000 1.310 376 M HN -0.191 nan 8.290 nan 0.000 0.494 377 E N -0.115 120.064 120.200 -0.036 0.000 2.250 377 E HA 0.101 4.451 4.350 -0.000 0.000 0.192 377 E C 0.015 176.595 176.600 -0.034 0.000 0.986 377 E CA 0.754 57.136 56.400 -0.031 0.000 0.849 377 E CB 0.406 30.091 29.700 -0.026 0.000 0.797 377 E HN 0.314 nan 8.360 nan 0.000 0.482 378 M N 1.847 121.421 119.600 -0.043 0.000 3.157 378 M HA 0.147 4.627 4.480 -0.000 0.000 0.213 378 M C -0.659 175.592 176.300 -0.082 0.000 1.177 378 M CA 0.004 55.275 55.300 -0.048 0.000 1.109 378 M CB 0.310 32.887 32.600 -0.039 0.000 1.262 378 M HN -0.032 nan 8.290 nan 0.000 0.570 379 D N -0.711 119.636 120.400 -0.088 0.000 2.463 379 D HA 0.140 4.780 4.640 -0.000 0.000 0.224 379 D C -0.532 175.669 176.300 -0.164 0.000 1.174 379 D CA -0.102 53.816 54.000 -0.136 0.000 0.829 379 D CB 0.375 41.116 40.800 -0.098 0.000 0.993 379 D HN 0.254 nan 8.370 nan 0.000 0.497 380 D N -0.449 119.875 120.400 -0.127 0.000 2.505 380 D HA 0.184 4.824 4.640 -0.000 0.000 0.250 380 D C 0.557 176.844 176.300 -0.021 0.000 1.164 380 D CA -0.750 53.209 54.000 -0.069 0.000 0.870 380 D CB 0.671 41.474 40.800 0.006 0.000 1.160 380 D HN -0.281 nan 8.370 nan 0.000 0.549 381 F N 2.596 122.577 119.950 0.052 0.000 2.032 381 F HA -0.091 4.436 4.527 0.000 0.000 0.297 381 F C 2.563 178.434 175.800 0.118 0.000 1.125 381 F CA 2.116 60.160 58.000 0.073 0.000 1.202 381 F CB -0.907 38.113 39.000 0.033 0.000 0.958 381 F HN 0.587 nan 8.300 nan 0.000 0.491 382 G N -1.206 107.777 108.800 0.305 0.000 2.469 382 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.219 382 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.219 382 G C 1.596 176.634 174.900 0.230 0.000 1.150 382 G CA 1.133 46.377 45.100 0.240 0.000 0.763 382 G HN 0.441 nan 8.290 nan 0.000 0.561 383 E N -0.211 120.083 120.200 0.157 0.000 2.072 383 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 383 E C 2.743 179.405 176.600 0.104 0.000 0.982 383 E CA 0.780 57.244 56.400 0.106 0.000 0.803 383 E CB -0.010 29.726 29.700 0.060 0.000 0.755 383 E HN 0.281 nan 8.360 nan 0.000 0.453 384 V N 1.067 121.054 119.914 0.122 0.000 2.237 384 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 384 V C 2.185 178.374 176.094 0.158 0.000 1.046 384 V CA 2.086 64.451 62.300 0.109 0.000 1.007 384 V CB -0.723 31.161 31.823 0.103 0.000 0.638 384 V HN 0.358 nan 8.190 nan 0.000 0.445 385 F N 0.849 120.875 119.950 0.125 0.000 2.161 385 F HA -0.267 4.259 4.527 -0.001 0.000 0.300 385 F C 2.483 178.357 175.800 0.122 0.000 1.089 385 F CA 2.272 60.374 58.000 0.169 0.000 1.282 385 F CB -0.339 38.795 39.000 0.222 0.000 1.010 385 F HN 0.149 nan 8.300 nan 0.000 0.485 386 Q N 0.673 120.523 119.800 0.083 0.000 2.050 386 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 386 Q C 1.982 177.921 176.000 -0.101 0.000 0.980 386 Q CA 2.215 57.999 55.803 -0.032 0.000 0.840 386 Q CB -0.642 28.135 28.738 0.064 0.000 0.898 386 Q HN 0.464 nan 8.270 nan 0.000 0.424 387 I N 0.129 120.665 120.570 -0.058 0.000 2.208 387 I HA -0.266 3.903 4.170 -0.000 0.000 0.245 387 I C 2.059 178.093 176.117 -0.138 0.000 1.097 387 I CA 1.205 62.460 61.300 -0.074 0.000 1.363 387 I CB -0.555 37.419 38.000 -0.043 0.000 1.051 387 I HN 0.275 nan 8.210 nan 0.000 0.413 388 I N -0.655 119.793 120.570 -0.205 0.000 2.142 388 I HA -0.319 3.851 4.170 -0.000 0.000 0.240 388 I C 2.493 178.397 176.117 -0.355 0.000 1.078 388 I CA 1.320 62.416 61.300 -0.340 0.000 1.343 388 I CB -0.568 37.099 38.000 -0.555 0.000 1.046 388 I HN 0.155 nan 8.210 nan 0.000 0.405 389 L N 0.823 121.821 121.223 -0.374 0.000 2.051 389 L HA -0.284 4.056 4.340 -0.000 0.000 0.214 389 L C 2.402 179.183 176.870 -0.148 0.000 1.076 389 L CA 1.536 56.222 54.840 -0.256 0.000 0.758 389 L CB -0.681 41.190 42.059 -0.313 0.000 0.890 389 L HN 0.392 nan 8.230 nan 0.000 0.433 390 N N -0.846 117.775 118.700 -0.132 0.000 2.142 390 N HA -0.119 4.621 4.740 -0.000 0.000 0.186 390 N C 1.757 177.219 175.510 -0.080 0.000 1.023 390 N CA 1.880 54.880 53.050 -0.084 0.000 0.852 390 N CB -0.580 37.868 38.487 -0.065 0.000 0.998 390 N HN 0.350 nan 8.380 nan 0.000 0.424 391 T N -0.560 113.932 114.554 -0.102 0.000 2.995 391 T HA 0.039 4.389 4.350 -0.000 0.000 0.269 391 T C 1.984 176.632 174.700 -0.087 0.000 1.091 391 T CA 0.412 62.459 62.100 -0.089 0.000 1.128 391 T CB 0.017 68.824 68.868 -0.102 0.000 0.891 391 T HN -0.029 nan 8.240 nan 0.000 0.492 392 V N -0.016 119.835 119.914 -0.106 0.000 3.263 392 V HA 0.221 4.341 4.120 -0.000 0.000 0.248 392 V C 0.941 177.011 176.094 -0.041 0.000 1.145 392 V CA 0.001 62.253 62.300 -0.080 0.000 1.107 392 V CB 0.216 31.968 31.823 -0.118 0.000 0.797 392 V HN 0.238 nan 8.190 nan 0.000 0.467 393 K N 1.422 121.796 120.400 -0.043 0.000 2.550 393 K HA -0.128 4.192 4.320 -0.000 0.000 0.280 393 K C 0.461 177.048 176.600 -0.023 0.000 0.987 393 K CA 0.992 57.264 56.287 -0.026 0.000 1.048 393 K CB -0.328 32.154 32.500 -0.030 0.000 0.879 393 K HN 0.377 nan 8.250 nan 0.000 0.491 394 D N 1.215 121.605 120.400 -0.017 0.000 2.911 394 D HA -0.200 4.440 4.640 -0.000 0.000 0.227 394 D C -0.564 175.723 176.300 -0.023 0.000 1.164 394 D CA 1.498 55.487 54.000 -0.018 0.000 0.782 394 D CB -1.497 39.293 40.800 -0.016 0.000 1.094 394 D HN 0.584 nan 8.370 nan 0.000 0.425 395 S N -1.435 114.249 115.700 -0.028 0.000 2.751 395 S HA 0.519 4.989 4.470 -0.000 0.000 0.310 395 S C 0.958 175.528 174.600 -0.051 0.000 1.128 395 S CA -0.883 57.298 58.200 -0.033 0.000 0.931 395 S CB 2.559 65.741 63.200 -0.030 0.000 1.177 395 S HN -0.030 nan 8.310 nan 0.000 0.530 396 K N -0.016 120.350 120.400 -0.057 0.000 2.365 396 K HA 0.105 4.425 4.320 -0.000 0.000 0.199 396 K C 1.904 178.407 176.600 -0.161 0.000 1.045 396 K CA 0.897 57.123 56.287 -0.101 0.000 0.962 396 K CB -0.392 32.068 32.500 -0.066 0.000 0.759 396 K HN 0.657 nan 8.250 nan 0.000 0.469 397 A N 1.307 124.092 122.820 -0.059 0.000 2.067 397 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 397 A C 1.955 179.554 177.584 0.026 0.000 1.156 397 A CA 0.735 52.783 52.037 0.019 0.000 0.683 397 A CB -0.154 18.872 19.000 0.043 0.000 0.808 397 A HN 0.286 nan 8.150 nan 0.000 0.455 398 E N 0.248 120.443 120.200 -0.007 0.000 2.033 398 E HA -0.199 4.151 4.350 -0.000 0.000 0.199 398 E C -0.716 175.908 176.600 0.040 0.000 1.011 398 E CA 1.820 58.246 56.400 0.045 0.000 0.815 398 E CB -0.767 28.940 29.700 0.012 0.000 0.755 398 E HN 0.380 nan 8.360 nan 0.000 0.451 399 P HA -0.187 nan 4.420 nan 0.000 0.217 399 P C 0.890 178.196 177.300 0.009 0.000 1.151 399 P CA 1.462 64.509 63.100 -0.088 0.000 0.849 399 P CB -0.120 31.450 31.700 -0.217 0.000 0.787 400 H N -2.397 116.732 119.070 0.100 0.000 2.333 400 H HA -0.043 4.513 4.556 -0.000 0.000 0.302 400 H C 1.889 177.327 175.328 0.183 0.000 1.075 400 H CA 0.802 56.922 56.048 0.120 0.000 1.348 400 H CB -1.327 28.497 29.762 0.104 0.000 1.393 400 H HN 0.099 nan 8.280 nan 0.000 0.509 401 F N 1.700 121.749 119.950 0.164 0.000 2.091 401 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 401 F C 2.395 178.273 175.800 0.131 0.000 1.103 401 F CA 0.931 59.007 58.000 0.127 0.000 1.228 401 F CB -0.853 38.195 39.000 0.080 0.000 0.984 401 F HN 0.076 nan 8.300 nan 0.000 0.477 402 L N -0.269 120.941 121.223 -0.021 0.000 2.012 402 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 402 L C 2.747 179.581 176.870 -0.059 0.000 1.073 402 L CA 2.310 57.076 54.840 -0.124 0.000 0.748 402 L CB -1.302 40.736 42.059 -0.034 0.000 0.891 402 L HN 0.271 nan 8.230 nan 0.000 0.431 403 S N -0.652 115.082 115.700 0.056 0.000 2.370 403 S HA -0.211 4.259 4.470 -0.000 0.000 0.226 403 S C 2.028 176.742 174.600 0.190 0.000 1.033 403 S CA 1.796 60.067 58.200 0.118 0.000 1.011 403 S CB -0.522 62.806 63.200 0.213 0.000 0.852 403 S HN 0.476 nan 8.310 nan 0.000 0.457 404 I N 1.257 121.927 120.570 0.165 0.000 2.127 404 I HA -0.235 3.934 4.170 -0.000 0.000 0.241 404 I C 2.264 178.421 176.117 0.066 0.000 1.075 404 I CA 1.370 62.760 61.300 0.150 0.000 1.334 404 I CB -0.449 37.669 38.000 0.197 0.000 1.040 404 I HN 0.307 nan 8.210 nan 0.000 0.405 405 L N -0.136 121.045 121.223 -0.069 0.000 2.079 405 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 405 L C 2.658 179.482 176.870 -0.076 0.000 1.081 405 L CA 1.489 56.259 54.840 -0.116 0.000 0.752 405 L CB -0.638 41.258 42.059 -0.271 0.000 0.896 405 L HN 0.327 nan 8.230 nan 0.000 0.433 406 Q N -0.916 118.832 119.800 -0.085 0.000 2.079 406 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 406 Q C 2.087 177.993 176.000 -0.158 0.000 0.974 406 Q CA 1.504 57.226 55.803 -0.135 0.000 0.840 406 Q CB -0.136 28.495 28.738 -0.178 0.000 0.898 406 Q HN 0.595 nan 8.270 nan 0.000 0.430 407 H N -0.496 118.542 119.070 -0.053 0.000 2.491 407 H HA -0.078 4.478 4.556 0.000 0.000 0.290 407 H C 1.465 176.736 175.328 -0.096 0.000 1.050 407 H CA 0.575 56.585 56.048 -0.062 0.000 1.309 407 H CB 0.290 30.024 29.762 -0.046 0.000 1.392 407 H HN 0.064 nan 8.280 nan 0.000 0.554 408 L N -0.365 120.861 121.223 0.005 0.000 2.313 408 L HA -0.046 4.294 4.340 -0.000 0.000 0.214 408 L C 1.353 178.204 176.870 -0.032 0.000 1.119 408 L CA 0.940 55.739 54.840 -0.068 0.000 0.809 408 L CB -0.141 41.896 42.059 -0.037 0.000 0.933 408 L HN 0.251 nan 8.230 nan 0.000 0.449 409 L N -1.628 119.573 121.223 -0.037 0.000 2.418 409 L HA -0.034 4.306 4.340 -0.000 0.000 0.218 409 L C 2.029 178.864 176.870 -0.059 0.000 1.125 409 L CA 1.064 55.882 54.840 -0.037 0.000 0.835 409 L CB -0.351 41.674 42.059 -0.058 0.000 0.953 409 L HN 0.184 nan 8.230 nan 0.000 0.454 410 L N -0.580 120.595 121.223 -0.080 0.000 2.313 410 L HA 0.031 4.371 4.340 -0.000 0.000 0.214 410 L C 0.727 177.495 176.870 -0.171 0.000 1.119 410 L CA -0.140 54.641 54.840 -0.099 0.000 0.809 410 L CB 0.076 42.093 42.059 -0.070 0.000 0.933 410 L HN 0.106 nan 8.230 nan 0.000 0.449 411 V N 0.131 119.915 119.914 -0.218 0.000 2.621 411 V HA -0.120 4.000 4.120 -0.000 0.000 0.300 411 V C 0.871 176.802 176.094 -0.272 0.000 1.031 411 V CA -0.208 61.856 62.300 -0.393 0.000 1.210 411 V CB -0.428 31.285 31.823 -0.183 0.000 0.864 411 V HN 0.300 nan 8.190 nan 0.000 0.477 412 R N 3.987 124.253 120.500 -0.389 0.000 2.638 412 R HA -0.028 4.312 4.340 -0.000 0.000 0.268 412 R C 0.735 177.007 176.300 -0.047 0.000 1.006 412 R CA 0.140 56.147 56.100 -0.155 0.000 1.088 412 R CB 0.154 30.402 30.300 -0.088 0.000 0.950 412 R HN 0.967 nan 8.270 nan 0.000 0.419 413 N N 2.851 121.545 118.700 -0.010 0.000 3.210 413 N HA -0.061 4.679 4.740 -0.000 0.000 0.314 413 N C -1.284 174.260 175.510 0.057 0.000 1.291 413 N CA 0.119 53.183 53.050 0.022 0.000 1.202 413 N CB -0.319 38.177 38.487 0.015 0.000 1.475 413 N HN 0.378 nan 8.380 nan 0.000 0.554 414 D N -0.424 120.023 120.400 0.079 0.000 2.217 414 D HA 0.036 4.676 4.640 -0.000 0.000 0.243 414 D C 0.874 177.252 176.300 0.130 0.000 1.054 414 D CA -0.600 53.469 54.000 0.114 0.000 0.838 414 D CB 0.708 41.583 40.800 0.125 0.000 1.162 414 D HN 0.220 nan 8.370 nan 0.000 0.472 415 Y N 3.425 123.750 120.300 0.041 0.000 2.165 415 Y HA -0.163 4.387 4.550 -0.001 0.000 0.286 415 Y C 1.489 177.414 175.900 0.041 0.000 1.155 415 Y CA 2.407 60.526 58.100 0.031 0.000 1.164 415 Y CB 0.349 38.821 38.460 0.019 0.000 0.978 415 Y HN 0.647 nan 8.280 nan 0.000 0.513 416 E N -1.462 118.745 120.200 0.012 0.000 2.526 416 E HA 0.322 4.671 4.350 -0.000 0.000 0.208 416 E C 1.626 178.228 176.600 0.004 0.000 0.997 416 E CA 0.462 56.821 56.400 -0.069 0.000 0.961 416 E CB 0.143 29.879 29.700 0.060 0.000 1.030 416 E HN 0.306 nan 8.360 nan 0.000 0.483 417 A N 1.870 124.734 122.820 0.074 0.000 1.943 417 A HA 0.026 4.346 4.320 -0.000 0.000 0.213 417 A C 2.263 180.008 177.584 0.267 0.000 1.181 417 A CA 0.792 52.917 52.037 0.147 0.000 0.653 417 A CB -0.328 18.808 19.000 0.226 0.000 0.833 417 A HN 0.146 nan 8.150 nan 0.000 0.451 418 R N 0.149 120.778 120.500 0.215 0.000 2.073 418 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 418 R C -0.969 175.498 176.300 0.279 0.000 1.134 418 R CA 1.929 58.190 56.100 0.268 0.000 0.952 418 R CB -1.213 29.157 30.300 0.116 0.000 0.850 418 R HN 0.327 nan 8.270 nan 0.000 0.433 419 P HA -0.133 nan 4.420 nan 0.000 0.218 419 P C 0.824 178.204 177.300 0.134 0.000 1.148 419 P CA 1.399 64.533 63.100 0.057 0.000 0.822 419 P CB -0.084 31.575 31.700 -0.068 0.000 0.784 420 Q N -2.062 117.795 119.800 0.095 0.000 2.123 420 Q HA -0.167 4.172 4.340 -0.000 0.000 0.199 420 Q C 2.034 178.055 176.000 0.035 0.000 0.966 420 Q CA 1.233 57.054 55.803 0.031 0.000 0.845 420 Q CB -0.692 28.017 28.738 -0.048 0.000 0.907 420 Q HN 0.324 nan 8.270 nan 0.000 0.439 421 Y N -0.017 120.326 120.300 0.071 0.000 2.053 421 Y HA -0.312 4.238 4.550 0.001 0.000 0.277 421 Y C 2.169 178.075 175.900 0.009 0.000 1.159 421 Y CA 1.797 59.914 58.100 0.028 0.000 1.125 421 Y CB -0.669 37.805 38.460 0.022 0.000 0.969 421 Y HN 0.111 nan 8.280 nan 0.000 0.492 422 Y N -0.005 120.400 120.300 0.174 0.000 2.151 422 Y HA -0.310 4.239 4.550 -0.001 0.000 0.284 422 Y C 2.555 178.496 175.900 0.069 0.000 1.166 422 Y CA 1.974 60.136 58.100 0.103 0.000 1.163 422 Y CB -0.489 38.016 38.460 0.075 0.000 0.974 422 Y HN 0.064 nan 8.280 nan 0.000 0.511 423 K N -0.061 120.452 120.400 0.189 0.000 2.026 423 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 423 K C 2.061 178.693 176.600 0.054 0.000 1.048 423 K CA 1.440 57.787 56.287 0.099 0.000 0.929 423 K CB -0.466 32.070 32.500 0.059 0.000 0.713 423 K HN 0.224 nan 8.250 nan 0.000 0.439 424 L N 1.600 122.839 121.223 0.026 0.000 2.046 424 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 424 L C 2.011 178.886 176.870 0.008 0.000 1.077 424 L CA 1.442 56.279 54.840 -0.005 0.000 0.747 424 L CB -0.339 41.691 42.059 -0.049 0.000 0.896 424 L HN 0.219 nan 8.230 nan 0.000 0.432 425 I N -0.450 120.129 120.570 0.014 0.000 2.163 425 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 425 I C 2.514 178.650 176.117 0.030 0.000 1.085 425 I CA 1.664 62.965 61.300 0.002 0.000 1.347 425 I CB -1.354 36.612 38.000 -0.056 0.000 1.044 425 I HN 0.489 nan 8.210 nan 0.000 0.408 426 E N 1.223 121.458 120.200 0.058 0.000 2.058 426 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 426 E C 2.073 178.701 176.600 0.047 0.000 0.997 426 E CA 1.749 58.191 56.400 0.070 0.000 0.801 426 E CB 0.078 29.832 29.700 0.090 0.000 0.746 426 E HN 0.499 nan 8.360 nan 0.000 0.450 427 E N -0.112 120.109 120.200 0.035 0.000 2.047 427 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 427 E C 2.296 178.908 176.600 0.020 0.000 0.987 427 E CA 1.333 57.747 56.400 0.023 0.000 0.799 427 E CB -0.305 29.402 29.700 0.011 0.000 0.752 427 E HN 0.371 nan 8.360 nan 0.000 0.449 428 C N -0.221 119.087 119.300 0.014 0.000 2.398 428 C HA -0.143 4.316 4.460 -0.000 0.000 0.276 428 C C 2.553 177.560 174.990 0.029 0.000 1.222 428 C CA 1.080 60.105 59.018 0.013 0.000 1.746 428 C CB -0.964 26.778 27.740 0.002 0.000 2.039 428 C HN 0.272 nan 8.230 nan 0.000 0.470 429 V N 0.745 120.681 119.914 0.037 0.000 2.343 429 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 429 V C 2.859 178.985 176.094 0.052 0.000 1.051 429 V CA 2.479 64.809 62.300 0.049 0.000 1.036 429 V CB -1.067 30.791 31.823 0.059 0.000 0.654 429 V HN 0.747 nan 8.190 nan 0.000 0.451 430 S N -1.373 114.355 115.700 0.046 0.000 2.469 430 S HA -0.181 4.288 4.470 -0.000 0.000 0.238 430 S C 1.937 176.573 174.600 0.061 0.000 0.998 430 S CA 1.087 59.314 58.200 0.046 0.000 0.957 430 S CB -0.123 63.099 63.200 0.036 0.000 0.764 430 S HN 0.591 nan 8.310 nan 0.000 0.514 431 Q N 0.677 120.512 119.800 0.059 0.000 2.134 431 Q HA 0.181 4.521 4.340 -0.000 0.000 0.195 431 Q C 2.246 178.314 176.000 0.113 0.000 0.958 431 Q CA 0.911 56.754 55.803 0.067 0.000 0.840 431 Q CB -0.559 28.202 28.738 0.038 0.000 0.918 431 Q HN 0.565 nan 8.270 nan 0.000 0.467 432 I N 0.366 120.994 120.570 0.097 0.000 2.127 432 I HA -0.263 3.907 4.170 -0.000 0.000 0.241 432 I C 2.321 178.508 176.117 0.115 0.000 1.075 432 I CA 1.151 62.512 61.300 0.102 0.000 1.334 432 I CB -0.395 37.648 38.000 0.071 0.000 1.040 432 I HN -0.032 nan 8.210 nan 0.000 0.405 433 V N 0.424 120.397 119.914 0.097 0.000 2.346 433 V HA -0.130 3.989 4.120 -0.000 0.000 0.244 433 V C 1.604 177.758 176.094 0.099 0.000 1.037 433 V CA 1.119 63.470 62.300 0.086 0.000 1.029 433 V CB -0.169 31.688 31.823 0.058 0.000 0.663 433 V HN 0.331 nan 8.190 nan 0.000 0.454 434 L N 0.569 121.851 121.223 0.099 0.000 2.934 434 L HA 0.254 4.593 4.340 -0.000 0.000 0.233 434 L C 0.429 177.450 176.870 0.252 0.000 1.358 434 L CA -0.363 54.537 54.840 0.101 0.000 1.233 434 L CB -0.504 41.568 42.059 0.022 0.000 1.594 434 L HN 0.414 nan 8.230 nan 0.000 0.439 435 H N 2.211 121.366 119.070 0.141 0.000 2.964 435 H HA 0.042 4.598 4.556 -0.000 0.000 0.328 435 H C 0.256 175.713 175.328 0.216 0.000 1.030 435 H CA -0.174 55.950 56.048 0.126 0.000 1.445 435 H CB 0.569 30.352 29.762 0.035 0.000 1.449 435 H HN 0.242 nan 8.280 nan 0.000 0.581 436 K N 3.478 123.743 120.400 -0.223 0.000 2.286 436 K HA -0.051 4.269 4.320 -0.000 0.000 0.256 436 K C 0.070 176.612 176.600 -0.097 0.000 0.999 436 K CA 0.058 56.159 56.287 -0.310 0.000 0.908 436 K CB 0.358 32.512 32.500 -0.577 0.000 0.981 436 K HN 0.972 nan 8.250 nan 0.000 0.500 437 N N -0.999 117.639 118.700 -0.104 0.000 2.936 437 N HA -0.151 4.589 4.740 -0.000 0.000 0.236 437 N C 0.287 175.837 175.510 0.066 0.000 0.930 437 N CA 1.566 54.614 53.050 -0.004 0.000 0.966 437 N CB -1.624 36.882 38.487 0.033 0.000 1.090 437 N HN 1.100 nan 8.380 nan 0.000 0.592 438 G N -0.111 108.785 108.800 0.160 0.000 2.359 438 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.298 438 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.298 438 G C 0.038 174.989 174.900 0.086 0.000 1.030 438 G CA 1.158 46.338 45.100 0.133 0.000 1.149 438 G HN 1.216 nan 8.290 nan 0.000 0.512 439 T N -2.174 112.465 114.554 0.142 0.000 2.843 439 T HA 0.599 4.949 4.350 -0.000 0.000 0.302 439 T C -0.754 173.906 174.700 -0.066 0.000 1.232 439 T CA -0.915 61.213 62.100 0.046 0.000 1.009 439 T CB 2.175 71.068 68.868 0.041 0.000 1.254 439 T HN 0.039 nan 8.240 nan 0.000 0.504 440 D N 2.408 122.706 120.400 -0.171 0.000 2.362 440 D HA 0.336 4.975 4.640 -0.000 0.000 0.242 440 D C -2.002 173.821 176.300 -0.796 0.000 1.132 440 D CA -0.996 52.800 54.000 -0.339 0.000 0.907 440 D CB 0.416 41.129 40.800 -0.145 0.000 1.195 440 D HN 0.358 nan 8.370 nan 0.000 0.429 441 P HA 0.010 nan 4.420 nan 0.000 0.270 441 P C -0.365 176.368 177.300 -0.945 0.000 1.223 441 P CA -0.232 62.279 63.100 -0.982 0.000 0.785 441 P CB 0.486 31.799 31.700 -0.646 0.000 0.923 442 D N 0.629 120.698 120.400 -0.553 0.000 2.358 442 D HA 0.059 4.698 4.640 -0.000 0.000 0.258 442 D C 0.055 176.150 176.300 -0.341 0.000 1.223 442 D CA -0.049 53.722 54.000 -0.381 0.000 0.886 442 D CB -0.369 40.309 40.800 -0.202 0.000 1.120 442 D HN 0.111 nan 8.370 nan 0.000 0.482 443 F N 2.868 122.779 119.950 -0.064 0.000 2.725 443 F HA 0.141 4.668 4.527 -0.000 0.000 0.303 443 F C 1.482 177.262 175.800 -0.033 0.000 1.167 443 F CA 0.116 58.088 58.000 -0.046 0.000 1.403 443 F CB 0.149 39.125 39.000 -0.040 0.000 1.077 443 F HN 0.329 nan 8.300 nan 0.000 0.537 444 K N -1.850 118.596 120.400 0.076 0.000 2.412 444 K HA 0.219 4.539 4.320 -0.000 0.000 0.202 444 K C 0.575 177.181 176.600 0.010 0.000 1.102 444 K CA 0.317 56.630 56.287 0.043 0.000 1.027 444 K CB 0.076 32.591 32.500 0.026 0.000 0.931 444 K HN 0.270 nan 8.250 nan 0.000 0.557 445 C N 0.919 120.209 119.300 -0.016 0.000 3.459 445 C HA 0.660 5.119 4.460 -0.000 0.000 0.358 445 C C -0.255 174.729 174.990 -0.011 0.000 2.992 445 C CA -0.471 58.531 59.018 -0.026 0.000 1.568 445 C CB 1.260 28.964 27.740 -0.060 0.000 3.388 445 C HN 0.500 nan 8.230 nan 0.000 0.515 446 R N -0.051 120.455 120.500 0.009 0.000 3.467 446 R HA 0.462 4.802 4.340 -0.000 0.000 0.202 446 R C -1.420 174.960 176.300 0.133 0.000 1.167 446 R CA -0.246 55.892 56.100 0.063 0.000 0.808 446 R CB -0.876 29.484 30.300 0.100 0.000 1.357 446 R HN 0.853 nan 8.270 nan 0.000 0.429 447 H N -0.404 118.651 119.070 -0.026 0.000 4.024 447 H HA -0.010 4.545 4.556 -0.000 0.000 0.307 447 H C -1.530 173.786 175.328 -0.020 0.000 0.778 447 H CA 0.470 56.503 56.048 -0.024 0.000 0.888 447 H CB -0.529 29.215 29.762 -0.031 0.000 1.321 447 H HN 0.550 nan 8.280 nan 0.000 0.330 448 L N 3.564 124.742 121.223 -0.075 0.000 2.439 448 L HA 0.484 4.824 4.340 -0.000 0.000 0.270 448 L C -0.636 176.187 176.870 -0.078 0.000 0.972 448 L CA -0.480 54.333 54.840 -0.046 0.000 0.836 448 L CB 1.228 43.268 42.059 -0.031 0.000 1.255 448 L HN 0.726 nan 8.230 nan 0.000 0.404 449 Q N 5.148 124.917 119.800 -0.053 0.000 2.495 449 Q HA 0.805 5.145 4.340 -0.000 0.000 0.283 449 Q C -1.050 174.928 176.000 -0.037 0.000 1.097 449 Q CA -0.759 55.012 55.803 -0.053 0.000 0.836 449 Q CB 2.278 30.986 28.738 -0.049 0.000 1.426 449 Q HN 0.572 nan 8.270 nan 0.000 0.459 450 I N -1.972 118.578 120.570 -0.033 0.000 2.569 450 I HA 0.579 4.749 4.170 -0.000 0.000 0.290 450 I C -0.916 175.190 176.117 -0.019 0.000 1.088 450 I CA -1.049 60.238 61.300 -0.021 0.000 1.047 450 I CB 2.056 40.046 38.000 -0.015 0.000 1.237 450 I HN 0.642 nan 8.210 nan 0.000 0.421 451 D N 0.000 120.391 120.400 -0.014 0.000 6.856 451 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 451 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 451 D CB 0.000 40.793 40.800 -0.011 0.000 0.688 451 D HN 0.000 nan 8.370 nan 0.000 0.683