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 3oja_1_B DATA FIRST_RESID 138 DATA SEQUENCE PRQPEYKcID SXXQYDcVFY DVHIDMQTQD VYFGFEDITL NNQKIVTFKN DATA SEQUENCE STMRKLPAAL LDSFRQVELL NLNDLQIEEI DTYAFAYAHT IQKLYMGFNA DATA SEQUENCE IRYLPPHVFQ NVPLLTVLVL ERNDLSSLPR GIFHNTPKLT TLSMSNNNLE DATA SEQUENCE RIEDDTFQAT TSLQNLQLSS NRLTHVDLSL IPSLFHANVS YNLLSTLAIP DATA SEQUENCE IAVEELDASH NSINVVRGPV NVELTILKLQ HNNLTDTAWL LNYPGLVEVD DATA SEQUENCE LSYNELEKIM YHPFVKMQRL ERLYISNNRL VALNLYGQPI PTLKVLDLSH DATA SEQUENCE NHLLHVERNQ PQFDRLENLY LDHNSIVTLK LSTHHTLKNL TLSHNDWDcN DATA SEQUENCE SLRALFRNVA RPAVDDADQH cKIDYQLEHG LccKESDKPY LDRLLQYIAL DATA SEQUENCE TSVVEKVXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXLEAEVNE DATA SEQUENCE LRAEVQQLTN EQIQQEQLLQ GLHAEIDTNL RRYRLPKDGL ARSSDNLNKV DATA SEQUENCE FTHLKERQAF KLRETQARRT EADAKQKETE DLEQENIALE KQLDNKRAKQ DATA SEQUENCE AELRQETSLK RQKVKQLEAK KN 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 138 P HA 0.000 nan 4.420 nan 0.000 0.216 138 P C 0.000 177.171 177.300 -0.215 0.000 1.155 138 P CA 0.000 63.034 63.100 -0.111 0.000 0.800 138 P CB 0.000 31.668 31.700 -0.053 0.000 0.726 139 R N 0.550 120.818 120.500 -0.386 0.000 3.193 139 R HA -0.122 4.218 4.340 0.000 0.000 0.265 139 R C 0.984 177.151 176.300 -0.221 0.000 1.067 139 R CA 0.685 56.392 56.100 -0.657 0.000 0.707 139 R CB -1.757 28.198 30.300 -0.575 0.000 1.251 139 R HN 0.564 nan 8.270 nan 0.000 0.401 140 Q N 0.385 120.170 119.800 -0.024 0.000 1.965 140 Q HA -0.032 4.308 4.340 0.000 0.000 0.200 140 Q C -1.130 174.843 176.000 -0.045 0.000 0.981 140 Q CA 1.005 56.801 55.803 -0.011 0.000 0.834 140 Q CB -0.405 28.349 28.738 0.026 0.000 0.900 140 Q HN 0.372 nan 8.270 nan 0.000 0.426 141 P HA 0.202 nan 4.420 nan 0.000 0.291 141 P C -1.367 175.720 177.300 -0.355 0.000 1.340 141 P CA 0.205 63.168 63.100 -0.229 0.000 0.799 141 P CB 0.878 32.472 31.700 -0.177 0.000 0.917 142 E N 3.088 122.975 120.200 -0.521 0.000 2.241 142 E HA 0.315 4.665 4.350 0.000 0.000 0.263 142 E C -1.269 175.017 176.600 -0.524 0.000 0.882 142 E CA -0.700 55.440 56.400 -0.433 0.000 0.769 142 E CB 1.056 30.640 29.700 -0.193 0.000 1.185 142 E HN 0.304 nan 8.360 nan 0.000 0.415 143 Y N 2.251 122.466 120.300 -0.140 0.000 2.360 143 Y HA 0.451 5.001 4.550 0.000 0.000 0.337 143 Y C 0.338 176.375 175.900 0.227 0.000 1.039 143 Y CA -0.702 57.396 58.100 -0.003 0.000 1.109 143 Y CB 1.480 39.866 38.460 -0.124 0.000 1.201 143 Y HN 0.170 nan 8.280 nan 0.000 0.458 144 K N 1.628 122.238 120.400 0.350 0.000 2.385 144 K HA 0.546 4.866 4.320 0.000 0.000 0.248 144 K C -0.800 175.837 176.600 0.062 0.000 0.955 144 K CA -0.802 55.595 56.287 0.183 0.000 0.816 144 K CB 2.001 34.474 32.500 -0.044 0.000 1.250 144 K HN 0.698 nan 8.250 nan 0.000 0.434 145 c N 1.331 119.871 118.600 -0.099 0.000 2.820 145 c HA 0.172 4.742 4.570 0.000 0.000 0.359 145 c C 0.827 174.870 174.090 -0.078 0.000 1.357 145 c CA 0.009 56.190 56.329 -0.246 0.000 2.197 145 c CB -0.660 41.764 42.510 -0.144 0.000 2.569 145 c HN 0.639 nan 8.230 nan 0.000 0.753 146 I N 1.154 121.694 120.570 -0.051 0.000 2.743 146 I HA 0.074 4.244 4.170 0.000 0.000 0.268 146 I C -0.528 175.615 176.117 0.043 0.000 1.441 146 I CA -0.215 61.094 61.300 0.015 0.000 0.912 146 I CB 0.118 38.142 38.000 0.040 0.000 1.410 146 I HN 0.625 nan 8.210 nan 0.000 0.540 147 D N 3.719 124.139 120.400 0.034 0.000 2.730 147 D HA -0.037 4.603 4.640 0.000 0.000 0.225 147 D C 0.333 176.670 176.300 0.062 0.000 1.107 147 D CA 1.099 55.128 54.000 0.050 0.000 0.837 147 D CB 0.935 41.761 40.800 0.043 0.000 1.171 147 D HN 0.571 nan 8.370 nan 0.000 0.498 152 Y N 2.160 122.459 120.300 -0.003 0.000 2.310 152 Y HA 0.185 4.735 4.550 0.000 0.000 0.326 152 Y C 0.484 176.383 175.900 -0.002 0.000 1.151 152 Y CA 0.053 58.152 58.100 -0.003 0.000 1.195 152 Y CB 0.854 39.303 38.460 -0.018 0.000 1.210 152 Y HN 0.348 nan 8.280 nan 0.000 0.483 153 D N -0.535 119.948 120.400 0.140 0.000 2.340 153 D HA 0.051 4.691 4.640 0.000 0.000 0.217 153 D C -0.397 175.942 176.300 0.064 0.000 1.081 153 D CA 0.052 54.105 54.000 0.088 0.000 0.842 153 D CB -0.024 40.818 40.800 0.070 0.000 0.934 153 D HN 0.280 nan 8.370 nan 0.000 0.511 154 c N 0.593 119.219 118.600 0.044 0.000 2.716 154 c HA 0.622 5.192 4.570 0.000 0.000 0.366 154 c C -1.475 172.458 174.090 -0.261 0.000 1.073 154 c CA -0.498 55.755 56.329 -0.126 0.000 1.260 154 c CB 0.695 43.114 42.510 -0.152 0.000 1.755 154 c HN 0.066 nan 8.230 nan 0.000 0.475 155 V N 6.965 126.702 119.914 -0.295 0.000 2.385 155 V HA 0.394 4.514 4.120 0.000 0.000 0.277 155 V C -0.383 175.536 176.094 -0.292 0.000 1.012 155 V CA -0.269 61.849 62.300 -0.303 0.000 0.832 155 V CB 0.640 32.396 31.823 -0.111 0.000 1.028 155 V HN 0.740 nan 8.190 nan 0.000 0.436 156 F N 3.867 123.568 119.950 -0.415 0.000 2.538 156 F HA 0.407 4.934 4.527 0.000 0.000 0.371 156 F C 0.330 176.017 175.800 -0.187 0.000 1.087 156 F CA 0.278 58.077 58.000 -0.336 0.000 1.250 156 F CB 0.210 38.727 39.000 -0.806 0.000 1.110 156 F HN 0.341 nan 8.300 nan 0.000 0.570 157 Y N 0.965 121.314 120.300 0.081 0.000 2.534 157 Y HA 0.191 4.741 4.550 0.000 0.000 0.329 157 Y C 0.527 176.461 175.900 0.058 0.000 1.154 157 Y CA -1.155 56.978 58.100 0.055 0.000 1.192 157 Y CB 0.990 39.480 38.460 0.050 0.000 1.275 157 Y HN 0.589 nan 8.280 nan 0.000 0.491 158 D N -0.089 120.426 120.400 0.192 0.000 2.755 158 D HA -0.159 4.481 4.640 0.000 0.000 0.228 158 D C -0.793 175.500 176.300 -0.012 0.000 1.172 158 D CA 0.527 54.613 54.000 0.143 0.000 0.630 158 D CB -1.503 39.461 40.800 0.274 0.000 1.040 158 D HN 0.040 nan 8.370 nan 0.000 0.418 159 V N 1.344 121.068 119.914 -0.316 0.000 2.488 159 V HA 0.132 4.252 4.120 0.000 0.000 0.277 159 V C 0.665 176.350 176.094 -0.682 0.000 1.046 159 V CA 0.077 61.997 62.300 -0.633 0.000 0.986 159 V CB 1.294 32.725 31.823 -0.654 0.000 0.989 159 V HN 0.233 nan 8.190 nan 0.000 0.475 160 H N 5.438 124.449 119.070 -0.099 0.000 3.078 160 H HA 0.504 5.060 4.556 0.000 0.000 0.319 160 H C -0.743 174.576 175.328 -0.015 0.000 0.995 160 H CA -0.348 55.678 56.048 -0.037 0.000 1.417 160 H CB 1.734 31.500 29.762 0.006 0.000 1.598 160 H HN 0.485 nan 8.280 nan 0.000 0.515 161 I N 3.236 123.827 120.570 0.035 0.000 2.493 161 I HA 0.162 4.332 4.170 0.000 0.000 0.298 161 I C -0.029 176.101 176.117 0.020 0.000 0.998 161 I CA -0.491 60.824 61.300 0.026 0.000 1.137 161 I CB 1.833 39.828 38.000 -0.008 0.000 1.310 161 I HN 0.624 nan 8.210 nan 0.000 0.445 162 D N 4.386 124.798 120.400 0.020 0.000 2.846 162 D HA 0.346 4.986 4.640 0.000 0.000 0.273 162 D C 0.261 176.561 176.300 0.001 0.000 1.145 162 D CA -0.597 53.408 54.000 0.009 0.000 1.091 162 D CB 0.604 41.413 40.800 0.015 0.000 1.364 162 D HN 0.165 nan 8.370 nan 0.000 0.613 163 M N -0.526 119.074 119.600 0.000 0.000 2.514 163 M HA 0.092 4.572 4.480 0.000 0.000 0.258 163 M C 1.384 177.685 176.300 0.002 0.000 1.119 163 M CA 0.941 56.240 55.300 -0.001 0.000 1.111 163 M CB -0.655 31.945 32.600 -0.000 0.000 1.390 163 M HN 0.460 nan 8.290 nan 0.000 0.475 164 Q N -0.269 119.533 119.800 0.004 0.000 2.250 164 Q HA 0.057 4.397 4.340 0.000 0.000 0.200 164 Q C 0.236 176.239 176.000 0.005 0.000 0.941 164 Q CA 0.391 56.197 55.803 0.005 0.000 0.872 164 Q CB -0.185 28.556 28.738 0.006 0.000 0.965 164 Q HN 0.336 nan 8.270 nan 0.000 0.480 165 T N 2.860 117.418 114.554 0.007 0.000 2.718 165 T HA -0.087 4.263 4.350 0.000 0.000 0.265 165 T C 0.937 175.634 174.700 -0.004 0.000 1.014 165 T CA 0.349 62.453 62.100 0.006 0.000 1.172 165 T CB 0.509 69.384 68.868 0.011 0.000 1.007 165 T HN 0.172 nan 8.240 nan 0.000 0.500 166 Q N 1.600 121.393 119.800 -0.010 0.000 2.274 166 Q HA 0.159 4.499 4.340 0.000 0.000 0.198 166 Q C 0.079 176.051 176.000 -0.046 0.000 0.955 166 Q CA 1.018 56.811 55.803 -0.016 0.000 0.859 166 Q CB 0.397 29.133 28.738 -0.004 0.000 0.956 166 Q HN 0.604 nan 8.270 nan 0.000 0.516 167 D N -0.300 120.051 120.400 -0.082 0.000 2.757 167 D HA 0.509 5.149 4.640 0.000 0.000 0.249 167 D C -1.058 175.033 176.300 -0.348 0.000 1.168 167 D CA -0.259 53.619 54.000 -0.204 0.000 0.870 167 D CB 2.463 43.167 40.800 -0.159 0.000 1.411 167 D HN -0.248 nan 8.370 nan 0.000 0.525 168 V N 2.103 121.714 119.914 -0.506 0.000 3.078 168 V HA 0.555 4.675 4.120 0.000 0.000 0.311 168 V C -1.345 174.314 176.094 -0.725 0.000 1.138 168 V CA -0.800 61.200 62.300 -0.500 0.000 1.007 168 V CB 2.049 33.772 31.823 -0.167 0.000 1.045 168 V HN 0.399 nan 8.190 nan 0.000 0.432 169 Y N 1.357 121.549 120.300 -0.179 0.000 2.421 169 Y HA 0.746 5.296 4.550 0.000 0.000 0.339 169 Y C -0.850 174.913 175.900 -0.229 0.000 0.996 169 Y CA -0.839 57.204 58.100 -0.095 0.000 1.046 169 Y CB 1.917 40.331 38.460 -0.077 0.000 1.226 169 Y HN 0.459 nan 8.280 nan 0.000 0.445 170 F N 1.291 121.400 119.950 0.264 0.000 2.520 170 F HA 0.674 5.201 4.527 0.000 0.000 0.322 170 F C 0.858 176.950 175.800 0.486 0.000 1.103 170 F CA -0.286 57.886 58.000 0.287 0.000 0.926 170 F CB 1.872 40.923 39.000 0.087 0.000 1.154 170 F HN 0.749 nan 8.300 nan 0.000 0.453 171 G N 2.184 111.389 108.800 0.673 0.000 2.601 171 G HA2 -0.288 3.672 3.960 0.000 0.000 0.261 171 G HA3 -0.288 3.672 3.960 0.000 0.000 0.261 171 G C -0.560 174.357 174.900 0.027 0.000 1.289 171 G CA -0.630 44.703 45.100 0.388 0.000 0.920 171 G HN 0.470 nan 8.290 nan 0.000 0.571 172 F N 0.835 120.869 119.950 0.140 0.000 2.406 172 F HA 0.443 4.970 4.527 0.000 0.000 0.327 172 F C 1.798 177.632 175.800 0.057 0.000 1.153 172 F CA 0.530 58.567 58.000 0.062 0.000 1.218 172 F CB 1.005 40.011 39.000 0.010 0.000 1.215 172 F HN 0.732 nan 8.300 nan 0.000 0.570 173 E N 0.238 120.575 120.200 0.228 0.000 2.204 173 E HA -0.227 4.123 4.350 0.000 0.000 0.195 173 E C -0.002 176.660 176.600 0.103 0.000 0.990 173 E CA 0.714 57.189 56.400 0.125 0.000 0.821 173 E CB -0.009 29.726 29.700 0.059 0.000 0.750 173 E HN 0.565 nan 8.360 nan 0.000 0.477 174 D N 0.493 120.960 120.400 0.112 0.000 2.468 174 D HA 0.001 4.641 4.640 0.000 0.000 0.218 174 D C 1.473 177.789 176.300 0.027 0.000 1.155 174 D CA -0.217 53.804 54.000 0.037 0.000 0.924 174 D CB 0.113 40.903 40.800 -0.016 0.000 1.029 174 D HN 0.319 nan 8.370 nan 0.000 0.515 175 I N 1.126 121.705 120.570 0.016 0.000 2.381 175 I HA -0.262 3.908 4.170 0.000 0.000 0.255 175 I C 1.569 177.652 176.117 -0.056 0.000 1.140 175 I CA 1.663 62.956 61.300 -0.013 0.000 1.404 175 I CB -1.008 36.981 38.000 -0.017 0.000 1.075 175 I HN 0.346 nan 8.210 nan 0.000 0.433 176 T N -0.743 113.784 114.554 -0.045 0.000 3.113 176 T HA 0.113 4.463 4.350 0.000 0.000 0.263 176 T C 1.581 176.236 174.700 -0.076 0.000 1.143 176 T CA 0.580 62.647 62.100 -0.055 0.000 1.090 176 T CB -0.441 68.401 68.868 -0.044 0.000 0.922 176 T HN 0.523 nan 8.240 nan 0.000 0.521 177 L N 0.347 121.519 121.223 -0.086 0.000 2.567 177 L HA 0.281 4.621 4.340 0.000 0.000 0.225 177 L C 0.431 177.271 176.870 -0.050 0.000 1.119 177 L CA -0.070 54.703 54.840 -0.111 0.000 0.871 177 L CB -0.184 41.697 42.059 -0.296 0.000 1.036 177 L HN 0.169 nan 8.230 nan 0.000 0.459 178 N N 2.385 120.993 118.700 -0.152 0.000 2.645 178 N HA 0.100 4.840 4.740 0.000 0.000 0.233 178 N C -0.166 175.154 175.510 -0.316 0.000 1.058 178 N CA 0.053 52.829 53.050 -0.457 0.000 0.942 178 N CB 0.500 38.349 38.487 -1.063 0.000 1.210 178 N HN 0.283 nan 8.380 nan 0.000 0.512 179 N N 0.284 118.916 118.700 -0.113 0.000 2.387 179 N HA 0.017 4.757 4.740 0.000 0.000 0.259 179 N C -0.499 175.050 175.510 0.066 0.000 1.369 179 N CA -0.277 52.769 53.050 -0.007 0.000 0.867 179 N CB 0.164 38.648 38.487 -0.005 0.000 1.341 179 N HN 0.117 nan 8.380 nan 0.000 0.495 180 Q N 0.862 120.733 119.800 0.119 0.000 2.332 180 Q HA 0.274 4.614 4.340 0.000 0.000 0.263 180 Q C 0.746 176.867 176.000 0.201 0.000 0.979 180 Q CA 0.368 56.272 55.803 0.169 0.000 0.885 180 Q CB 1.662 30.531 28.738 0.217 0.000 1.218 180 Q HN 0.201 nan 8.270 nan 0.000 0.405 181 K N 1.655 122.144 120.400 0.148 0.000 2.354 181 K HA 0.253 4.573 4.320 0.000 0.000 0.194 181 K C -0.081 176.609 176.600 0.151 0.000 1.045 181 K CA 0.371 56.745 56.287 0.144 0.000 1.026 181 K CB 0.719 33.281 32.500 0.102 0.000 0.866 181 K HN 0.510 nan 8.250 nan 0.000 0.530 182 I N 2.222 122.882 120.570 0.151 0.000 2.668 182 I HA 0.141 4.311 4.170 0.000 0.000 0.276 182 I C -0.974 175.307 176.117 0.274 0.000 1.139 182 I CA -0.581 60.824 61.300 0.176 0.000 1.133 182 I CB 1.627 39.672 38.000 0.076 0.000 1.327 182 I HN -0.263 nan 8.210 nan 0.000 0.520 183 V N 3.685 123.746 119.914 0.245 0.000 2.465 183 V HA 0.520 4.640 4.120 0.000 0.000 0.279 183 V C 0.332 176.501 176.094 0.126 0.000 1.045 183 V CA -0.005 62.374 62.300 0.132 0.000 0.938 183 V CB 1.663 33.540 31.823 0.091 0.000 0.986 183 V HN 0.670 nan 8.190 nan 0.000 0.467 184 T N 4.192 118.681 114.554 -0.108 0.000 2.696 184 T HA 0.742 5.092 4.350 0.000 0.000 0.291 184 T C -1.438 173.225 174.700 -0.062 0.000 1.095 184 T CA -0.392 61.634 62.100 -0.123 0.000 1.026 184 T CB 1.395 69.823 68.868 -0.734 0.000 1.390 184 T HN 0.280 nan 8.240 nan 0.000 0.513 185 F N 0.762 120.582 119.950 -0.217 0.000 2.593 185 F HA 0.715 5.242 4.527 0.000 0.000 0.320 185 F C 0.088 175.700 175.800 -0.313 0.000 1.060 185 F CA -1.090 56.797 58.000 -0.187 0.000 0.940 185 F CB 2.358 41.271 39.000 -0.145 0.000 1.268 185 F HN 0.426 nan 8.300 nan 0.000 0.475 186 K N 0.893 121.160 120.400 -0.222 0.000 2.426 186 K HA 0.324 4.644 4.320 0.000 0.000 0.251 186 K C -0.366 176.102 176.600 -0.219 0.000 0.941 186 K CA -0.726 55.345 56.287 -0.359 0.000 0.808 186 K CB 1.446 33.459 32.500 -0.811 0.000 1.265 186 K HN 0.625 nan 8.250 nan 0.000 0.432 187 N N 1.319 119.950 118.700 -0.116 0.000 2.707 187 N HA -0.168 4.572 4.740 0.000 0.000 0.253 187 N C -1.805 173.661 175.510 -0.073 0.000 0.998 187 N CA 1.107 54.149 53.050 -0.014 0.000 0.751 187 N CB -0.771 37.762 38.487 0.076 0.000 0.920 187 N HN 0.526 nan 8.380 nan 0.000 0.539 188 S N -0.971 114.638 115.700 -0.152 0.000 2.599 188 S HA 0.802 5.272 4.470 0.000 0.000 0.287 188 S C -0.235 174.217 174.600 -0.247 0.000 1.105 188 S CA -0.300 57.687 58.200 -0.355 0.000 0.899 188 S CB 2.380 65.485 63.200 -0.158 0.000 1.100 188 S HN 0.437 nan 8.310 nan 0.000 0.482 189 T N -0.321 114.065 114.554 -0.281 0.000 3.143 189 T HA 0.593 4.943 4.350 0.000 0.000 0.312 189 T C -1.061 173.568 174.700 -0.118 0.000 0.986 189 T CA -0.569 61.470 62.100 -0.101 0.000 1.024 189 T CB 0.424 69.339 68.868 0.078 0.000 1.030 189 T HN 0.493 nan 8.240 nan 0.000 0.448 190 M N 3.942 123.443 119.600 -0.166 0.000 2.016 190 M HA 0.375 4.855 4.480 0.000 0.000 0.315 190 M C 1.362 177.592 176.300 -0.116 0.000 0.930 190 M CA -0.784 54.421 55.300 -0.159 0.000 0.899 190 M CB 1.500 33.938 32.600 -0.271 0.000 1.401 190 M HN 0.646 nan 8.290 nan 0.000 0.386 191 R N 0.966 121.426 120.500 -0.066 0.000 2.117 191 R HA -0.085 4.255 4.340 0.000 0.000 0.243 191 R C 0.663 176.920 176.300 -0.072 0.000 1.143 191 R CA 1.251 57.317 56.100 -0.055 0.000 0.968 191 R CB 0.114 30.396 30.300 -0.029 0.000 0.863 191 R HN 0.401 nan 8.270 nan 0.000 0.444 192 K N 0.627 120.981 120.400 -0.076 0.000 2.378 192 K HA 0.222 4.542 4.320 0.000 0.000 0.252 192 K C -1.576 174.961 176.600 -0.105 0.000 0.931 192 K CA -0.750 55.486 56.287 -0.085 0.000 0.794 192 K CB 1.522 33.987 32.500 -0.057 0.000 1.181 192 K HN -0.170 nan 8.250 nan 0.000 0.425 193 L N 6.393 127.539 121.223 -0.129 0.000 2.278 193 L HA 0.398 4.738 4.340 0.000 0.000 0.287 193 L C -2.392 174.394 176.870 -0.139 0.000 1.072 193 L CA -1.638 53.103 54.840 -0.165 0.000 0.819 193 L CB 0.653 42.604 42.059 -0.181 0.000 1.176 193 L HN 0.512 nan 8.230 nan 0.000 0.435 194 P HA 0.184 nan 4.420 nan 0.000 0.279 194 P C -0.110 177.149 177.300 -0.067 0.000 1.239 194 P CA -0.380 62.697 63.100 -0.038 0.000 0.789 194 P CB 1.157 32.907 31.700 0.083 0.000 0.933 195 A N 3.244 126.055 122.820 -0.015 0.000 2.019 195 A HA -0.095 4.225 4.320 0.000 0.000 0.219 195 A C 2.103 179.715 177.584 0.046 0.000 1.164 195 A CA 1.820 53.864 52.037 0.011 0.000 0.644 195 A CB -1.566 17.485 19.000 0.085 0.000 0.805 195 A HN 0.561 nan 8.150 nan 0.000 0.449 196 A N -0.485 122.386 122.820 0.086 0.000 2.084 196 A HA -0.066 4.254 4.320 0.000 0.000 0.221 196 A C 2.058 179.758 177.584 0.195 0.000 1.161 196 A CA 1.732 53.877 52.037 0.180 0.000 0.653 196 A CB -0.484 18.652 19.000 0.226 0.000 0.802 196 A HN 0.707 nan 8.150 nan 0.000 0.457 197 L N -0.924 120.253 121.223 -0.078 0.000 2.023 197 L HA 0.080 4.420 4.340 0.000 0.000 0.205 197 L C 1.822 178.627 176.870 -0.108 0.000 1.073 197 L CA 1.763 56.325 54.840 -0.463 0.000 0.745 197 L CB -0.257 41.305 42.059 -0.829 0.000 0.900 197 L HN 0.331 nan 8.230 nan 0.000 0.435 198 L N -0.690 120.504 121.223 -0.050 0.000 2.628 198 L HA 0.120 4.460 4.340 0.000 0.000 0.229 198 L C 1.344 178.333 176.870 0.198 0.000 1.137 198 L CA -0.222 54.676 54.840 0.098 0.000 0.909 198 L CB -0.360 41.703 42.059 0.007 0.000 1.137 198 L HN 0.176 nan 8.230 nan 0.000 0.470 199 D N 0.030 120.539 120.400 0.182 0.000 2.123 199 D HA -0.095 4.545 4.640 0.000 0.000 0.200 199 D C 2.134 178.509 176.300 0.125 0.000 0.976 199 D CA 1.254 55.354 54.000 0.167 0.000 0.831 199 D CB 0.254 41.152 40.800 0.164 0.000 0.974 199 D HN 0.067 nan 8.370 nan 0.000 0.469 200 S N -1.082 114.773 115.700 0.258 0.000 2.524 200 S HA 0.165 4.635 4.470 0.000 0.000 0.216 200 S C 0.270 175.047 174.600 0.295 0.000 0.987 200 S CA -0.175 58.203 58.200 0.296 0.000 0.909 200 S CB 0.393 63.883 63.200 0.482 0.000 0.781 200 S HN 0.109 nan 8.310 nan 0.000 0.521 201 F N 2.088 122.112 119.950 0.124 0.000 2.434 201 F HA 0.414 4.941 4.527 0.000 0.000 0.367 201 F C 0.787 176.663 175.800 0.127 0.000 1.093 201 F CA -0.782 57.299 58.000 0.135 0.000 1.085 201 F CB 1.041 40.132 39.000 0.152 0.000 1.322 201 F HN -0.173 nan 8.300 nan 0.000 0.452 202 R N 2.352 122.979 120.500 0.211 0.000 2.700 202 R HA 0.207 4.547 4.340 0.000 0.000 0.377 202 R C 0.061 176.482 176.300 0.201 0.000 1.130 202 R CA 0.019 56.252 56.100 0.222 0.000 1.055 202 R CB 0.450 30.871 30.300 0.203 0.000 1.387 202 R HN 0.672 nan 8.270 nan 0.000 0.580 203 Q N 0.343 120.262 119.800 0.199 0.000 2.023 203 Q HA 0.177 4.517 4.340 0.000 0.000 0.221 203 Q C -0.581 175.531 176.000 0.186 0.000 0.806 203 Q CA -0.118 55.783 55.803 0.164 0.000 1.052 203 Q CB 2.003 30.807 28.738 0.111 0.000 1.229 203 Q HN 0.013 nan 8.270 nan 0.000 0.440 204 V N 1.207 121.254 119.914 0.222 0.000 2.530 204 V HA 0.065 4.185 4.120 0.000 0.000 0.282 204 V C 0.948 177.146 176.094 0.173 0.000 1.048 204 V CA 0.461 62.890 62.300 0.215 0.000 0.997 204 V CB 1.509 33.473 31.823 0.234 0.000 0.987 204 V HN 0.332 nan 8.190 nan 0.000 0.477 205 E N 2.973 123.264 120.200 0.151 0.000 2.206 205 E HA 0.263 4.613 4.350 0.000 0.000 0.195 205 E C 0.187 176.865 176.600 0.130 0.000 0.935 205 E CA 0.106 56.580 56.400 0.124 0.000 0.875 205 E CB 0.709 30.468 29.700 0.097 0.000 0.841 205 E HN 0.555 nan 8.360 nan 0.000 0.477 206 L N 1.800 123.120 121.223 0.162 0.000 2.372 206 L HA 0.389 4.729 4.340 0.000 0.000 0.274 206 L C -1.747 175.284 176.870 0.267 0.000 0.988 206 L CA -0.871 54.097 54.840 0.212 0.000 0.833 206 L CB 1.323 43.506 42.059 0.207 0.000 1.236 206 L HN -0.019 nan 8.230 nan 0.000 0.410 207 L N 5.574 126.966 121.223 0.283 0.000 2.294 207 L HA 0.523 4.863 4.340 0.000 0.000 0.283 207 L C -0.850 176.229 176.870 0.348 0.000 1.015 207 L CA -0.048 54.963 54.840 0.285 0.000 0.831 207 L CB 1.186 43.395 42.059 0.250 0.000 1.217 207 L HN 0.627 nan 8.230 nan 0.000 0.420 208 N N 5.674 124.576 118.700 0.336 0.000 2.609 208 N HA 0.275 5.015 4.740 0.000 0.000 0.234 208 N C -0.546 175.070 175.510 0.177 0.000 1.001 208 N CA -0.221 53.008 53.050 0.298 0.000 0.926 208 N CB 0.567 39.202 38.487 0.247 0.000 1.130 208 N HN 0.754 nan 8.380 nan 0.000 0.510 209 L N 2.106 123.415 121.223 0.143 0.000 2.984 209 L HA 0.290 4.630 4.340 0.000 0.000 0.246 209 L C 0.390 177.267 176.870 0.012 0.000 1.268 209 L CA -0.441 54.400 54.840 0.001 0.000 1.054 209 L CB -0.476 41.565 42.059 -0.030 0.000 1.393 209 L HN 0.384 nan 8.230 nan 0.000 0.532 210 N N 1.666 120.402 118.700 0.061 0.000 2.438 210 N HA -0.022 4.718 4.740 0.000 0.000 0.267 210 N C 0.077 175.596 175.510 0.016 0.000 1.222 210 N CA 0.493 53.587 53.050 0.073 0.000 0.930 210 N CB 0.223 38.750 38.487 0.067 0.000 1.083 210 N HN 0.159 nan 8.380 nan 0.000 0.476 211 D N 3.055 123.483 120.400 0.047 0.000 2.800 211 D HA -0.166 4.474 4.640 0.000 0.000 0.248 211 D C -0.938 175.340 176.300 -0.036 0.000 1.091 211 D CA 0.535 54.551 54.000 0.027 0.000 0.746 211 D CB -1.154 39.640 40.800 -0.011 0.000 1.062 211 D HN 0.564 nan 8.370 nan 0.000 0.431 212 L N 1.007 122.192 121.223 -0.064 0.000 3.202 212 L HA 0.261 4.602 4.340 0.000 0.000 0.278 212 L C 0.928 177.740 176.870 -0.097 0.000 1.268 212 L CA -0.508 54.258 54.840 -0.124 0.000 1.034 212 L CB 0.355 42.270 42.059 -0.241 0.000 1.407 212 L HN 0.062 nan 8.230 nan 0.000 0.581 213 Q N 0.762 120.532 119.800 -0.049 0.000 2.378 213 Q HA -0.204 4.136 4.340 0.000 0.000 0.296 213 Q C 0.120 176.083 176.000 -0.060 0.000 1.209 213 Q CA 0.922 56.702 55.803 -0.038 0.000 0.910 213 Q CB -1.458 27.265 28.738 -0.024 0.000 1.240 213 Q HN 0.518 nan 8.270 nan 0.000 0.499 214 I N 0.355 120.877 120.570 -0.080 0.000 2.683 214 I HA -0.129 4.041 4.170 0.000 0.000 0.286 214 I C 1.337 177.406 176.117 -0.079 0.000 1.175 214 I CA 0.801 62.044 61.300 -0.095 0.000 1.429 214 I CB 0.602 38.537 38.000 -0.107 0.000 1.371 214 I HN 0.300 nan 8.210 nan 0.000 0.569 215 E N 3.888 124.037 120.200 -0.085 0.000 2.399 215 E HA 0.179 4.529 4.350 0.000 0.000 0.205 215 E C -0.181 176.336 176.600 -0.139 0.000 0.906 215 E CA 0.130 56.479 56.400 -0.084 0.000 0.998 215 E CB 0.712 30.381 29.700 -0.051 0.000 1.002 215 E HN 0.614 nan 8.360 nan 0.000 0.501 216 E N 0.740 120.846 120.200 -0.158 0.000 2.340 216 E HA 0.438 4.788 4.350 0.000 0.000 0.273 216 E C -1.129 175.339 176.600 -0.220 0.000 0.891 216 E CA -0.494 55.758 56.400 -0.246 0.000 0.757 216 E CB 2.637 32.241 29.700 -0.161 0.000 1.231 216 E HN -0.047 nan 8.360 nan 0.000 0.439 217 I N 1.800 122.202 120.570 -0.280 0.000 2.354 217 I HA 0.167 4.337 4.170 0.000 0.000 0.292 217 I C -0.065 175.954 176.117 -0.163 0.000 0.989 217 I CA -0.785 60.409 61.300 -0.176 0.000 1.188 217 I CB 1.213 39.138 38.000 -0.126 0.000 1.342 217 I HN 0.375 nan 8.210 nan 0.000 0.457 218 D N 4.219 124.547 120.400 -0.120 0.000 2.493 218 D HA -0.029 4.611 4.640 0.000 0.000 0.240 218 D C 1.265 177.488 176.300 -0.128 0.000 1.142 218 D CA 0.445 54.390 54.000 -0.092 0.000 0.872 218 D CB 1.249 42.016 40.800 -0.055 0.000 1.173 218 D HN 0.557 nan 8.370 nan 0.000 0.467 219 T N 3.006 117.448 114.554 -0.186 0.000 2.848 219 T HA -0.231 4.119 4.350 0.000 0.000 0.269 219 T C 0.792 175.118 174.700 -0.623 0.000 1.081 219 T CA 1.372 63.217 62.100 -0.425 0.000 1.125 219 T CB -0.157 68.385 68.868 -0.543 0.000 0.848 219 T HN 0.474 nan 8.240 nan 0.000 0.503 220 Y N -1.095 119.199 120.300 -0.010 0.000 2.738 220 Y HA 0.641 5.191 4.550 0.000 0.000 0.249 220 Y C 1.727 177.600 175.900 -0.045 0.000 1.157 220 Y CA -1.134 56.959 58.100 -0.012 0.000 1.189 220 Y CB -0.289 38.168 38.460 -0.004 0.000 1.262 220 Y HN 0.114 nan 8.280 nan 0.000 0.554 221 A N -0.430 122.378 122.820 -0.019 0.000 2.076 221 A HA -0.147 4.173 4.320 0.000 0.000 0.220 221 A C 0.958 178.292 177.584 -0.417 0.000 1.160 221 A CA 1.632 53.526 52.037 -0.239 0.000 0.653 221 A CB -0.736 18.011 19.000 -0.421 0.000 0.801 221 A HN 0.389 nan 8.150 nan 0.000 0.455 222 F N -1.590 118.374 119.950 0.024 0.000 2.791 222 F HA 0.450 4.977 4.527 0.000 0.000 0.308 222 F C 1.817 177.588 175.800 -0.047 0.000 1.138 222 F CA -0.085 57.926 58.000 0.019 0.000 1.294 222 F CB 0.081 39.111 39.000 0.051 0.000 0.975 222 F HN 0.184 nan 8.300 nan 0.000 0.512 223 A N -1.164 121.662 122.820 0.010 0.000 2.014 223 A HA -0.086 4.234 4.320 0.000 0.000 0.218 223 A C 0.711 177.967 177.584 -0.548 0.000 1.163 223 A CA 1.226 53.129 52.037 -0.223 0.000 0.652 223 A CB -0.579 18.234 19.000 -0.312 0.000 0.808 223 A HN 0.386 nan 8.150 nan 0.000 0.449 224 Y N -1.115 119.144 120.300 -0.068 0.000 2.774 224 Y HA 0.538 5.088 4.550 0.000 0.000 0.305 224 Y C 1.230 176.996 175.900 -0.223 0.000 1.067 224 Y CA -0.221 57.795 58.100 -0.140 0.000 1.304 224 Y CB 0.152 38.657 38.460 0.074 0.000 1.209 224 Y HN 0.248 nan 8.280 nan 0.000 0.543 225 A N -1.565 121.095 122.820 -0.266 0.000 2.564 225 A HA 0.159 4.480 4.320 0.000 0.000 0.279 225 A C 1.168 178.759 177.584 0.011 0.000 1.232 225 A CA -0.185 51.866 52.037 0.023 0.000 0.950 225 A CB -0.565 18.596 19.000 0.268 0.000 1.138 225 A HN 0.529 nan 8.150 nan 0.000 0.526 226 H N 1.010 120.193 119.070 0.187 0.000 2.486 226 H HA -0.209 4.347 4.556 0.000 0.000 0.289 226 H C 1.908 177.310 175.328 0.123 0.000 1.129 226 H CA 2.117 58.251 56.048 0.143 0.000 1.166 226 H CB -0.783 29.062 29.762 0.138 0.000 1.346 226 H HN 0.655 nan 8.280 nan 0.000 0.509 227 T N -2.008 112.685 114.554 0.231 0.000 3.069 227 T HA 0.252 4.602 4.350 0.000 0.000 0.252 227 T C 0.903 175.685 174.700 0.136 0.000 1.053 227 T CA -0.281 61.923 62.100 0.173 0.000 0.964 227 T CB -0.046 68.924 68.868 0.169 0.000 1.005 227 T HN 0.066 nan 8.240 nan 0.000 0.532 228 I N 2.566 123.217 120.570 0.135 0.000 2.517 228 I HA 0.130 4.300 4.170 0.000 0.000 0.285 228 I C 1.309 177.460 176.117 0.056 0.000 1.106 228 I CA -0.032 61.336 61.300 0.113 0.000 1.402 228 I CB 1.144 39.225 38.000 0.136 0.000 1.399 228 I HN 0.275 nan 8.210 nan 0.000 0.535 229 Q N 4.981 124.809 119.800 0.047 0.000 2.259 229 Q HA 0.132 4.472 4.340 0.000 0.000 0.201 229 Q C -0.060 175.912 176.000 -0.047 0.000 0.938 229 Q CA 0.802 56.608 55.803 0.006 0.000 0.872 229 Q CB 0.469 29.220 28.738 0.022 0.000 0.971 229 Q HN 0.515 nan 8.270 nan 0.000 0.494 230 K N 0.963 121.342 120.400 -0.036 0.000 2.463 230 K HA 0.379 4.699 4.320 0.000 0.000 0.255 230 K C -1.723 174.767 176.600 -0.182 0.000 0.942 230 K CA -0.647 55.553 56.287 -0.145 0.000 0.814 230 K CB 2.174 34.669 32.500 -0.008 0.000 1.122 230 K HN -0.108 nan 8.250 nan 0.000 0.425 231 L N 4.076 125.075 121.223 -0.372 0.000 2.342 231 L HA 0.409 4.749 4.340 0.000 0.000 0.276 231 L C -1.807 174.841 176.870 -0.371 0.000 0.997 231 L CA -0.532 54.169 54.840 -0.230 0.000 0.838 231 L CB 0.553 42.500 42.059 -0.188 0.000 1.224 231 L HN 0.450 nan 8.230 nan 0.000 0.416 232 Y N 6.072 126.416 120.300 0.073 0.000 2.369 232 Y HA 0.513 5.063 4.550 0.000 0.000 0.337 232 Y C 0.541 176.489 175.900 0.079 0.000 0.961 232 Y CA -0.453 57.692 58.100 0.074 0.000 1.186 232 Y CB 1.593 40.108 38.460 0.092 0.000 1.139 232 Y HN 0.542 nan 8.280 nan 0.000 0.494 233 M N 2.705 122.412 119.600 0.179 0.000 2.875 233 M HA 0.279 4.759 4.480 0.000 0.000 0.403 233 M C 0.734 177.104 176.300 0.117 0.000 1.304 233 M CA -0.241 55.137 55.300 0.129 0.000 0.854 233 M CB 0.719 33.379 32.600 0.100 0.000 1.415 233 M HN 0.787 nan 8.290 nan 0.000 0.505 234 G N -0.467 108.442 108.800 0.183 0.000 2.606 234 G HA2 0.380 4.340 3.960 0.000 0.000 0.252 234 G HA3 0.380 4.340 3.960 0.000 0.000 0.252 234 G C -0.072 174.986 174.900 0.264 0.000 1.206 234 G CA -0.235 44.978 45.100 0.189 0.000 0.861 234 G HN 0.545 nan 8.290 nan 0.000 0.561 235 F N -0.391 119.564 119.950 0.007 0.000 2.969 235 F HA -0.211 4.316 4.527 0.000 0.000 0.273 235 F C 0.986 176.773 175.800 -0.021 0.000 0.986 235 F CA 0.779 58.774 58.000 -0.009 0.000 0.926 235 F CB -1.515 37.478 39.000 -0.012 0.000 0.887 235 F HN 0.464 nan 8.300 nan 0.000 0.816 236 N N 0.383 119.111 118.700 0.047 0.000 3.384 236 N HA 0.821 5.561 4.740 0.000 0.000 0.352 236 N C 0.494 175.994 175.510 -0.016 0.000 1.466 236 N CA 0.082 53.141 53.050 0.015 0.000 0.629 236 N CB 0.696 39.177 38.487 -0.010 0.000 1.810 236 N HN 0.025 nan 8.380 nan 0.000 0.575 237 A N 0.316 123.116 122.820 -0.033 0.000 2.709 237 A HA 0.387 4.707 4.320 0.000 0.000 0.241 237 A C -0.347 177.207 177.584 -0.051 0.000 0.879 237 A CA -0.349 51.666 52.037 -0.036 0.000 1.120 237 A CB -0.556 18.429 19.000 -0.026 0.000 1.226 237 A HN 0.417 nan 8.150 nan 0.000 0.468 238 I N 0.915 121.445 120.570 -0.067 0.000 2.587 238 I HA 0.046 4.216 4.170 0.000 0.000 0.284 238 I C 1.507 177.576 176.117 -0.080 0.000 1.134 238 I CA 0.108 61.344 61.300 -0.105 0.000 1.410 238 I CB 0.749 38.684 38.000 -0.108 0.000 1.392 238 I HN 0.383 nan 8.210 nan 0.000 0.545 239 R N 5.425 125.883 120.500 -0.071 0.000 2.223 239 R HA 0.097 4.437 4.340 0.000 0.000 0.198 239 R C -0.639 175.744 176.300 0.138 0.000 0.984 239 R CA 0.521 56.654 56.100 0.054 0.000 1.018 239 R CB 0.192 30.590 30.300 0.164 0.000 0.945 239 R HN 0.724 nan 8.270 nan 0.000 0.479 240 Y N -2.345 117.911 120.300 -0.073 0.000 2.558 240 Y HA 0.485 5.035 4.550 0.000 0.000 0.333 240 Y C -1.379 174.449 175.900 -0.120 0.000 1.125 240 Y CA -1.521 56.521 58.100 -0.096 0.000 1.039 240 Y CB 1.015 39.414 38.460 -0.101 0.000 1.331 240 Y HN -0.306 nan 8.280 nan 0.000 0.456 241 L N 4.063 125.232 121.223 -0.090 0.000 2.289 241 L HA 0.558 4.898 4.340 0.000 0.000 0.285 241 L C -2.395 174.384 176.870 -0.152 0.000 1.049 241 L CA -1.994 52.718 54.840 -0.214 0.000 0.804 241 L CB 1.449 43.358 42.059 -0.249 0.000 1.195 241 L HN 0.446 nan 8.230 nan 0.000 0.428 242 P HA 0.128 nan 4.420 nan 0.000 0.271 242 P C -2.109 175.000 177.300 -0.319 0.000 1.216 242 P CA -1.183 61.808 63.100 -0.182 0.000 0.776 242 P CB 0.261 31.830 31.700 -0.217 0.000 0.881 243 P HA -0.168 nan 4.420 nan 0.000 0.217 243 P C 0.400 177.272 177.300 -0.714 0.000 1.148 243 P CA 1.718 64.461 63.100 -0.595 0.000 0.828 243 P CB -0.104 31.146 31.700 -0.749 0.000 0.783 244 H N -2.328 116.633 119.070 -0.182 0.000 2.481 244 H HA 0.235 4.791 4.556 0.000 0.000 0.273 244 H C 1.356 176.576 175.328 -0.179 0.000 1.145 244 H CA -0.357 55.606 56.048 -0.140 0.000 0.964 244 H CB -0.098 29.628 29.762 -0.061 0.000 1.722 244 H HN -0.072 nan 8.280 nan 0.000 0.573 245 V N 0.199 119.930 119.914 -0.305 0.000 2.594 245 V HA -0.187 3.933 4.120 0.000 0.000 0.253 245 V C 0.554 176.376 176.094 -0.453 0.000 1.069 245 V CA 1.603 63.646 62.300 -0.429 0.000 1.082 245 V CB -0.369 31.037 31.823 -0.695 0.000 0.680 245 V HN 0.180 nan 8.190 nan 0.000 0.469 246 F N -0.366 119.532 119.950 -0.087 0.000 2.908 246 F HA 0.380 4.907 4.527 0.000 0.000 0.328 246 F C 1.490 177.296 175.800 0.009 0.000 1.211 246 F CA -0.443 57.507 58.000 -0.083 0.000 1.291 246 F CB -0.195 38.751 39.000 -0.090 0.000 0.962 246 F HN 0.123 nan 8.300 nan 0.000 0.505 247 Q N 0.370 120.266 119.800 0.161 0.000 2.435 247 Q HA -0.015 4.325 4.340 0.000 0.000 0.207 247 Q C 0.212 176.295 176.000 0.138 0.000 0.956 247 Q CA 1.078 56.970 55.803 0.149 0.000 0.917 247 Q CB 0.035 28.849 28.738 0.127 0.000 0.997 247 Q HN 0.471 nan 8.270 nan 0.000 0.497 248 N N -0.576 118.206 118.700 0.138 0.000 2.299 248 N HA 0.089 4.829 4.740 0.000 0.000 0.246 248 N C -0.997 174.579 175.510 0.110 0.000 1.254 248 N CA -0.104 53.017 53.050 0.119 0.000 0.879 248 N CB 1.987 40.502 38.487 0.046 0.000 1.214 248 N HN -0.006 nan 8.380 nan 0.000 0.510 249 V N -1.345 118.647 119.914 0.131 0.000 2.294 249 V HA 0.467 4.587 4.120 0.000 0.000 0.258 249 V C -2.171 173.973 176.094 0.083 0.000 1.080 249 V CA -1.399 60.961 62.300 0.100 0.000 1.128 249 V CB 0.450 32.307 31.823 0.057 0.000 1.323 249 V HN 0.001 nan 8.190 nan 0.000 0.498 250 P HA 0.113 nan 4.420 nan 0.000 0.245 250 P C 0.735 178.072 177.300 0.061 0.000 1.212 250 P CA 0.501 63.654 63.100 0.089 0.000 0.774 250 P CB 0.375 32.138 31.700 0.105 0.000 0.999 251 L N -1.117 120.139 121.223 0.055 0.000 2.769 251 L HA 0.224 4.564 4.340 0.000 0.000 0.240 251 L C 0.716 177.586 176.870 0.000 0.000 1.163 251 L CA -0.828 54.033 54.840 0.035 0.000 0.962 251 L CB -0.056 42.035 42.059 0.053 0.000 1.258 251 L HN -0.066 nan 8.230 nan 0.000 0.513 252 L N 1.863 123.070 121.223 -0.027 0.000 2.615 252 L HA -0.035 4.305 4.340 0.000 0.000 0.271 252 L C 1.272 178.082 176.870 -0.100 0.000 1.183 252 L CA 1.179 55.963 54.840 -0.095 0.000 0.933 252 L CB 0.653 42.612 42.059 -0.167 0.000 1.199 252 L HN 0.273 nan 8.230 nan 0.000 0.487 253 T N 0.895 115.385 114.554 -0.107 0.000 2.964 253 T HA 0.291 4.642 4.350 0.000 0.000 0.249 253 T C 0.344 174.962 174.700 -0.136 0.000 1.000 253 T CA 0.007 62.047 62.100 -0.100 0.000 0.992 253 T CB 0.190 69.022 68.868 -0.060 0.000 1.087 253 T HN 0.201 nan 8.240 nan 0.000 0.489 254 V N 2.178 121.985 119.914 -0.179 0.000 2.638 254 V HA 0.759 4.879 4.120 0.000 0.000 0.306 254 V C -1.626 174.263 176.094 -0.341 0.000 1.052 254 V CA -0.979 61.184 62.300 -0.227 0.000 0.885 254 V CB 1.980 33.676 31.823 -0.211 0.000 0.999 254 V HN 0.443 nan 8.190 nan 0.000 0.424 255 L N 6.579 127.617 121.223 -0.307 0.000 2.491 255 L HA 0.722 5.062 4.340 0.000 0.000 0.267 255 L C -1.080 175.678 176.870 -0.188 0.000 0.971 255 L CA -0.160 54.496 54.840 -0.307 0.000 0.857 255 L CB 1.925 43.795 42.059 -0.314 0.000 1.226 255 L HN 0.407 nan 8.230 nan 0.000 0.408 256 V N 7.011 126.830 119.914 -0.159 0.000 2.384 256 V HA 0.422 4.542 4.120 0.000 0.000 0.287 256 V C 0.498 176.611 176.094 0.032 0.000 1.020 256 V CA -0.184 62.112 62.300 -0.008 0.000 0.850 256 V CB 1.550 33.446 31.823 0.121 0.000 0.987 256 V HN 0.760 nan 8.190 nan 0.000 0.436 257 L N 4.117 125.359 121.223 0.032 0.000 3.229 257 L HA 0.290 4.630 4.340 0.000 0.000 0.286 257 L C 1.133 177.993 176.870 -0.017 0.000 1.239 257 L CA -0.120 54.739 54.840 0.032 0.000 1.035 257 L CB 0.467 42.566 42.059 0.066 0.000 1.408 257 L HN 0.811 nan 8.230 nan 0.000 0.593 258 E N 0.860 121.038 120.200 -0.036 0.000 2.436 258 E HA -0.008 4.342 4.350 0.000 0.000 0.262 258 E C 0.234 176.655 176.600 -0.299 0.000 1.063 258 E CA -0.616 55.703 56.400 -0.135 0.000 0.944 258 E CB 0.438 30.065 29.700 -0.122 0.000 0.950 258 E HN 0.133 nan 8.360 nan 0.000 0.444 259 R N 1.416 121.698 120.500 -0.363 0.000 3.152 259 R HA -0.173 4.167 4.340 0.000 0.000 0.252 259 R C -1.360 174.779 176.300 -0.269 0.000 0.930 259 R CA 0.949 56.775 56.100 -0.456 0.000 0.642 259 R CB -1.712 27.952 30.300 -1.060 0.000 1.205 259 R HN 0.787 nan 8.270 nan 0.000 0.452 260 N N -0.462 118.145 118.700 -0.154 0.000 3.312 260 N HA 0.317 5.057 4.740 0.000 0.000 0.361 260 N C -0.653 174.817 175.510 -0.068 0.000 1.476 260 N CA -0.513 52.482 53.050 -0.093 0.000 0.669 260 N CB 0.633 39.081 38.487 -0.065 0.000 1.629 260 N HN 0.219 nan 8.380 nan 0.000 0.612 261 D N 0.976 121.349 120.400 -0.044 0.000 2.720 261 D HA 0.268 4.908 4.640 0.000 0.000 0.285 261 D C -0.224 176.070 176.300 -0.010 0.000 1.359 261 D CA -0.020 53.965 54.000 -0.026 0.000 0.818 261 D CB 0.790 41.580 40.800 -0.017 0.000 1.108 261 D HN 0.250 nan 8.370 nan 0.000 0.474 262 L N 0.778 121.993 121.223 -0.013 0.000 2.490 262 L HA 0.041 4.381 4.340 0.000 0.000 0.274 262 L C 1.414 178.285 176.870 0.002 0.000 1.201 262 L CA 0.369 55.208 54.840 -0.001 0.000 0.869 262 L CB 0.838 42.896 42.059 -0.002 0.000 1.123 262 L HN -0.097 nan 8.230 nan 0.000 0.484 263 S N -0.170 115.533 115.700 0.005 0.000 2.554 263 S HA 0.130 4.600 4.470 0.000 0.000 0.227 263 S C 0.129 174.725 174.600 -0.007 0.000 1.050 263 S CA 0.107 58.306 58.200 -0.001 0.000 0.927 263 S CB 0.582 63.779 63.200 -0.005 0.000 0.859 263 S HN 0.841 nan 8.310 nan 0.000 0.494 264 S N 0.371 116.063 115.700 -0.014 0.000 2.587 264 S HA 0.648 5.118 4.470 0.000 0.000 0.269 264 S C -1.571 172.997 174.600 -0.052 0.000 1.154 264 S CA -1.043 57.139 58.200 -0.029 0.000 0.824 264 S CB 0.876 64.052 63.200 -0.040 0.000 1.118 264 S HN 0.147 nan 8.310 nan 0.000 0.462 265 L N 1.184 122.359 121.223 -0.080 0.000 2.317 265 L HA 0.601 4.941 4.340 0.000 0.000 0.281 265 L C -2.481 174.286 176.870 -0.172 0.000 1.024 265 L CA -2.181 52.572 54.840 -0.144 0.000 0.810 265 L CB 1.063 43.013 42.059 -0.181 0.000 1.240 265 L HN 0.493 nan 8.230 nan 0.000 0.427 266 P HA 0.130 nan 4.420 nan 0.000 0.271 266 P C -0.476 176.661 177.300 -0.272 0.000 1.216 266 P CA -0.526 62.436 63.100 -0.230 0.000 0.771 266 P CB 0.497 32.035 31.700 -0.270 0.000 0.864 267 R N 2.235 122.602 120.500 -0.222 0.000 2.583 267 R HA 0.233 4.573 4.340 0.000 0.000 0.274 267 R C 1.270 177.353 176.300 -0.362 0.000 0.998 267 R CA 1.593 57.551 56.100 -0.238 0.000 1.081 267 R CB -0.715 29.505 30.300 -0.135 0.000 0.940 267 R HN 0.826 nan 8.270 nan 0.000 0.413 268 G N 3.903 112.307 108.800 -0.660 0.000 2.148 268 G HA2 -0.319 3.641 3.960 0.000 0.000 0.254 268 G HA3 -0.319 3.641 3.960 0.000 0.000 0.254 268 G C 0.556 175.121 174.900 -0.558 0.000 0.981 268 G CA 0.252 44.753 45.100 -0.998 0.000 0.670 268 G HN 0.649 nan 8.290 nan 0.000 0.528 269 I N -0.752 119.501 120.570 -0.528 0.000 2.423 269 I HA 0.083 4.253 4.170 0.000 0.000 0.254 269 I C 1.601 177.442 176.117 -0.459 0.000 1.151 269 I CA 1.460 62.429 61.300 -0.551 0.000 1.421 269 I CB -0.212 37.303 38.000 -0.809 0.000 1.079 269 I HN 0.205 nan 8.210 nan 0.000 0.431 270 F N -1.699 118.246 119.950 -0.008 0.000 2.729 270 F HA 0.260 4.787 4.527 0.000 0.000 0.315 270 F C 1.870 177.790 175.800 0.199 0.000 1.102 270 F CA -0.402 57.660 58.000 0.103 0.000 1.204 270 F CB -1.007 38.054 39.000 0.101 0.000 1.052 270 F HN 0.113 nan 8.300 nan 0.000 0.551 271 H N -0.393 118.774 119.070 0.163 0.000 2.557 271 H HA -0.070 4.486 4.556 0.000 0.000 0.287 271 H C 0.448 175.848 175.328 0.121 0.000 1.043 271 H CA 0.991 57.112 56.048 0.123 0.000 1.226 271 H CB -0.114 29.694 29.762 0.077 0.000 1.361 271 H HN 0.313 nan 8.280 nan 0.000 0.592 272 N N -0.310 118.548 118.700 0.262 0.000 2.299 272 N HA 0.010 4.750 4.740 0.000 0.000 0.246 272 N C -0.654 174.956 175.510 0.167 0.000 1.254 272 N CA -0.039 53.123 53.050 0.187 0.000 0.879 272 N CB 1.280 39.869 38.487 0.169 0.000 1.214 272 N HN 0.092 nan 8.380 nan 0.000 0.510 273 T N -2.248 112.413 114.554 0.179 0.000 3.514 273 T HA 0.249 4.599 4.350 0.000 0.000 0.259 273 T C -2.223 172.520 174.700 0.070 0.000 1.466 273 T CA -1.516 60.648 62.100 0.108 0.000 1.562 273 T CB 0.916 69.838 68.868 0.090 0.000 0.924 273 T HN -0.105 nan 8.240 nan 0.000 0.678 274 P HA 0.010 nan 4.420 nan 0.000 0.231 274 P C 0.688 178.000 177.300 0.020 0.000 1.158 274 P CA 0.616 63.746 63.100 0.051 0.000 0.763 274 P CB 0.179 31.908 31.700 0.048 0.000 0.805 275 K N -0.593 119.810 120.400 0.006 0.000 2.410 275 K HA 0.123 4.443 4.320 0.000 0.000 0.200 275 K C 0.378 176.951 176.600 -0.045 0.000 1.023 275 K CA -0.632 55.647 56.287 -0.014 0.000 1.149 275 K CB -0.082 32.413 32.500 -0.008 0.000 0.859 275 K HN 0.027 nan 8.250 nan 0.000 0.514 276 L N 1.927 123.112 121.223 -0.064 0.000 2.500 276 L HA -0.017 4.323 4.340 0.000 0.000 0.272 276 L C 1.150 177.949 176.870 -0.118 0.000 1.149 276 L CA 1.043 55.808 54.840 -0.124 0.000 0.897 276 L CB 0.732 42.678 42.059 -0.190 0.000 1.178 276 L HN 0.150 nan 8.230 nan 0.000 0.473 277 T N -0.225 114.263 114.554 -0.111 0.000 2.990 277 T HA 0.221 4.571 4.350 0.000 0.000 0.249 277 T C 0.620 175.263 174.700 -0.095 0.000 1.039 277 T CA 0.390 62.436 62.100 -0.090 0.000 1.036 277 T CB 0.065 68.895 68.868 -0.063 0.000 0.994 277 T HN 0.548 nan 8.240 nan 0.000 0.489 278 T N 2.109 116.593 114.554 -0.116 0.000 2.971 278 T HA 0.683 5.033 4.350 0.000 0.000 0.304 278 T C -2.084 172.533 174.700 -0.139 0.000 1.038 278 T CA -0.586 61.454 62.100 -0.100 0.000 1.007 278 T CB 1.895 70.727 68.868 -0.060 0.000 1.055 278 T HN 0.315 nan 8.240 nan 0.000 0.451 279 L N 2.689 123.834 121.223 -0.130 0.000 2.470 279 L HA 0.843 5.183 4.340 0.000 0.000 0.268 279 L C -1.000 175.833 176.870 -0.062 0.000 0.964 279 L CA -0.210 54.550 54.840 -0.134 0.000 0.839 279 L CB 2.211 44.146 42.059 -0.207 0.000 1.276 279 L HN 0.591 nan 8.230 nan 0.000 0.403 280 S N 5.178 120.863 115.700 -0.025 0.000 2.532 280 S HA 0.756 5.226 4.470 0.000 0.000 0.299 280 S C -0.120 174.497 174.600 0.028 0.000 1.105 280 S CA -0.457 57.748 58.200 0.008 0.000 1.018 280 S CB 1.014 64.227 63.200 0.022 0.000 1.021 280 S HN 0.816 nan 8.310 nan 0.000 0.483 281 M N 2.622 122.243 119.600 0.036 0.000 2.540 281 M HA 0.219 4.699 4.480 0.000 0.000 0.404 281 M C 0.121 176.423 176.300 0.004 0.000 1.133 281 M CA -0.195 55.125 55.300 0.034 0.000 0.900 281 M CB 0.919 33.570 32.600 0.084 0.000 1.540 281 M HN 0.517 nan 8.290 nan 0.000 0.539 282 S N 2.105 117.801 115.700 -0.006 0.000 2.558 282 S HA -0.085 4.385 4.470 0.000 0.000 0.297 282 S C 0.511 175.063 174.600 -0.080 0.000 1.283 282 S CA 0.703 58.885 58.200 -0.030 0.000 1.044 282 S CB -0.184 62.999 63.200 -0.029 0.000 0.789 282 S HN 0.701 nan 8.310 nan 0.000 0.500 283 N N 1.407 120.057 118.700 -0.083 0.000 2.714 283 N HA -0.166 4.574 4.740 0.000 0.000 0.253 283 N C -0.588 174.862 175.510 -0.101 0.000 1.024 283 N CA 0.664 53.646 53.050 -0.114 0.000 0.726 283 N CB -1.145 37.234 38.487 -0.179 0.000 0.908 283 N HN 0.499 nan 8.380 nan 0.000 0.542 284 N N -0.000 118.666 118.700 -0.056 0.000 3.100 284 N HA 0.377 5.117 4.740 0.000 0.000 0.344 284 N C -0.162 175.334 175.510 -0.024 0.000 1.413 284 N CA -0.666 52.359 53.050 -0.041 0.000 0.752 284 N CB 0.578 39.052 38.487 -0.022 0.000 1.519 284 N HN 0.129 nan 8.380 nan 0.000 0.620 285 N N 0.776 119.468 118.700 -0.014 0.000 2.458 285 N HA 0.245 4.985 4.740 0.000 0.000 0.274 285 N C -0.409 175.103 175.510 0.004 0.000 1.242 285 N CA -0.026 53.021 53.050 -0.006 0.000 0.904 285 N CB 0.721 39.203 38.487 -0.008 0.000 1.206 285 N HN 0.335 nan 8.380 nan 0.000 0.510 286 L N 0.654 121.884 121.223 0.012 0.000 2.456 286 L HA 0.087 4.427 4.340 0.000 0.000 0.272 286 L C 1.354 178.240 176.870 0.026 0.000 1.189 286 L CA 0.289 55.141 54.840 0.020 0.000 0.846 286 L CB 0.863 42.943 42.059 0.034 0.000 1.111 286 L HN 0.118 nan 8.230 nan 0.000 0.475 287 E N 1.877 122.092 120.200 0.025 0.000 2.290 287 E HA 0.177 4.527 4.350 0.000 0.000 0.197 287 E C -0.101 176.530 176.600 0.052 0.000 0.948 287 E CA 0.216 56.635 56.400 0.032 0.000 0.895 287 E CB 0.662 30.375 29.700 0.021 0.000 0.865 287 E HN 0.483 nan 8.360 nan 0.000 0.486 288 R N 0.560 121.093 120.500 0.055 0.000 2.651 288 R HA 0.396 4.736 4.340 0.000 0.000 0.278 288 R C -1.325 175.024 176.300 0.081 0.000 1.010 288 R CA -0.721 55.434 56.100 0.092 0.000 0.896 288 R CB 1.949 32.300 30.300 0.085 0.000 1.211 288 R HN -0.063 nan 8.270 nan 0.000 0.456 289 I N 3.093 123.730 120.570 0.111 0.000 2.359 289 I HA 0.205 4.375 4.170 0.000 0.000 0.284 289 I C 0.271 176.463 176.117 0.125 0.000 1.018 289 I CA -0.692 60.658 61.300 0.083 0.000 1.173 289 I CB 1.048 39.121 38.000 0.122 0.000 1.326 289 I HN 0.461 nan 8.210 nan 0.000 0.462 290 E N 4.363 124.606 120.200 0.072 0.000 2.422 290 E HA -0.013 4.337 4.350 0.000 0.000 0.260 290 E C 0.504 177.163 176.600 0.099 0.000 1.108 290 E CA -0.047 56.408 56.400 0.092 0.000 0.943 290 E CB 1.030 30.741 29.700 0.020 0.000 0.961 290 E HN 0.348 nan 8.360 nan 0.000 0.443 291 D N 0.944 121.428 120.400 0.141 0.000 2.350 291 D HA -0.142 4.498 4.640 0.000 0.000 0.216 291 D C 0.966 177.330 176.300 0.107 0.000 0.968 291 D CA 0.942 55.028 54.000 0.143 0.000 0.894 291 D CB -0.049 40.842 40.800 0.151 0.000 0.909 291 D HN 0.469 nan 8.370 nan 0.000 0.520 292 D N -1.193 119.260 120.400 0.087 0.000 2.350 292 D HA -0.030 4.610 4.640 0.000 0.000 0.213 292 D C 1.533 177.926 176.300 0.154 0.000 1.031 292 D CA 0.307 54.382 54.000 0.125 0.000 0.861 292 D CB -0.430 40.470 40.800 0.167 0.000 0.926 292 D HN -0.169 nan 8.370 nan 0.000 0.520 293 T N -0.121 114.426 114.554 -0.011 0.000 2.699 293 T HA -0.144 4.206 4.350 0.000 0.000 0.268 293 T C 0.407 174.971 174.700 -0.226 0.000 1.036 293 T CA 1.145 63.101 62.100 -0.240 0.000 1.147 293 T CB -0.306 68.180 68.868 -0.637 0.000 0.862 293 T HN 0.206 nan 8.240 nan 0.000 0.446 294 F N 1.146 121.222 119.950 0.210 0.000 2.708 294 F HA 0.290 4.817 4.527 0.000 0.000 0.300 294 F C 1.931 177.789 175.800 0.096 0.000 1.118 294 F CA -1.065 57.025 58.000 0.150 0.000 1.307 294 F CB -0.393 38.655 39.000 0.080 0.000 0.986 294 F HN 0.200 nan 8.300 nan 0.000 0.522 295 Q N 0.618 120.536 119.800 0.196 0.000 2.226 295 Q HA -0.115 4.225 4.340 0.000 0.000 0.204 295 Q C 1.614 177.649 176.000 0.059 0.000 0.975 295 Q CA 1.784 57.639 55.803 0.086 0.000 0.866 295 Q CB -0.152 28.577 28.738 -0.014 0.000 0.915 295 Q HN 0.334 nan 8.270 nan 0.000 0.440 296 A N 1.203 124.074 122.820 0.086 0.000 2.303 296 A HA 0.089 4.409 4.320 0.000 0.000 0.217 296 A C 1.155 178.801 177.584 0.103 0.000 1.205 296 A CA 0.481 52.561 52.037 0.072 0.000 0.875 296 A CB 0.205 19.247 19.000 0.069 0.000 0.910 296 A HN 0.438 nan 8.150 nan 0.000 0.501 297 T N -0.496 114.146 114.554 0.146 0.000 3.598 297 T HA 0.281 4.631 4.350 0.000 0.000 0.343 297 T C 0.559 175.290 174.700 0.052 0.000 1.697 297 T CA 0.309 62.466 62.100 0.096 0.000 1.247 297 T CB -0.566 68.367 68.868 0.108 0.000 1.210 297 T HN 0.280 nan 8.240 nan 0.000 0.820 298 T N -0.929 113.648 114.554 0.037 0.000 3.366 298 T HA 0.252 4.602 4.350 0.000 0.000 0.249 298 T C 0.892 175.595 174.700 0.004 0.000 1.028 298 T CA -0.542 61.571 62.100 0.023 0.000 0.938 298 T CB -0.377 68.506 68.868 0.025 0.000 1.046 298 T HN 0.433 nan 8.240 nan 0.000 0.587 299 S N 0.144 115.837 115.700 -0.012 0.000 2.817 299 S HA 0.281 4.751 4.470 0.000 0.000 0.262 299 S C -0.023 174.552 174.600 -0.043 0.000 1.051 299 S CA -0.655 57.531 58.200 -0.024 0.000 1.185 299 S CB 0.199 63.384 63.200 -0.025 0.000 1.152 299 S HN 0.449 nan 8.310 nan 0.000 0.653 300 L N 3.299 124.481 121.223 -0.068 0.000 2.597 300 L HA 0.187 4.527 4.340 0.000 0.000 0.271 300 L C 0.890 177.714 176.870 -0.078 0.000 1.157 300 L CA 1.100 55.867 54.840 -0.121 0.000 0.928 300 L CB 0.147 42.065 42.059 -0.234 0.000 1.216 300 L HN 0.181 nan 8.230 nan 0.000 0.481 301 Q N 2.600 122.378 119.800 -0.037 0.000 2.423 301 Q HA 0.167 4.507 4.340 0.000 0.000 0.231 301 Q C -0.084 175.980 176.000 0.106 0.000 0.894 301 Q CA 0.202 56.044 55.803 0.066 0.000 0.938 301 Q CB 0.565 29.347 28.738 0.072 0.000 1.079 301 Q HN 0.703 nan 8.270 nan 0.000 0.552 302 N N 0.774 119.489 118.700 0.025 0.000 2.491 302 N HA 0.269 5.010 4.740 0.000 0.000 0.274 302 N C -2.102 173.381 175.510 -0.045 0.000 1.023 302 N CA -0.409 52.661 53.050 0.034 0.000 0.902 302 N CB 1.307 39.814 38.487 0.035 0.000 1.267 302 N HN -0.032 nan 8.380 nan 0.000 0.503 303 L N 3.114 124.301 121.223 -0.060 0.000 2.319 303 L HA 0.556 4.896 4.340 0.000 0.000 0.281 303 L C -1.136 175.710 176.870 -0.041 0.000 1.005 303 L CA -0.286 54.491 54.840 -0.105 0.000 0.828 303 L CB 1.271 43.210 42.059 -0.199 0.000 1.227 303 L HN 0.461 nan 8.230 nan 0.000 0.415 304 Q N 6.671 126.459 119.800 -0.019 0.000 2.347 304 Q HA 0.425 4.765 4.340 0.000 0.000 0.262 304 Q C -0.278 175.734 176.000 0.021 0.000 0.980 304 Q CA -0.112 55.696 55.803 0.008 0.000 0.867 304 Q CB 2.299 31.047 28.738 0.017 0.000 1.242 304 Q HN 0.810 nan 8.270 nan 0.000 0.453 305 L N 0.589 121.829 121.223 0.029 0.000 3.298 305 L HA 0.183 4.523 4.340 0.000 0.000 0.296 305 L C 0.674 177.569 176.870 0.041 0.000 1.237 305 L CA -0.190 54.676 54.840 0.043 0.000 1.038 305 L CB 1.111 43.204 42.059 0.056 0.000 1.423 305 L HN 0.418 nan 8.230 nan 0.000 0.605 306 S N -0.022 115.703 115.700 0.040 0.000 2.558 306 S HA 0.002 4.472 4.470 0.000 0.000 0.293 306 S C 1.099 175.722 174.600 0.039 0.000 1.292 306 S CA 0.946 59.183 58.200 0.061 0.000 1.063 306 S CB 0.278 63.513 63.200 0.057 0.000 0.831 306 S HN 0.416 nan 8.310 nan 0.000 0.499 307 S N 2.594 118.340 115.700 0.077 0.000 3.858 307 S HA -0.133 4.337 4.470 0.000 0.000 0.356 307 S C 0.249 174.852 174.600 0.006 0.000 1.013 307 S CA 0.804 59.020 58.200 0.027 0.000 1.083 307 S CB -1.823 61.321 63.200 -0.093 0.000 0.883 307 S HN 0.842 nan 8.310 nan 0.000 0.475 308 N N 0.457 119.176 118.700 0.032 0.000 2.849 308 N HA 0.410 5.150 4.740 0.000 0.000 0.307 308 N C 0.617 176.147 175.510 0.033 0.000 1.370 308 N CA -0.707 52.357 53.050 0.022 0.000 0.790 308 N CB 0.398 38.902 38.487 0.028 0.000 1.117 308 N HN 0.269 nan 8.380 nan 0.000 0.495 309 R N 0.532 121.051 120.500 0.032 0.000 2.668 309 R HA 0.371 4.711 4.340 0.000 0.000 0.435 309 R C -0.691 175.632 176.300 0.038 0.000 1.059 309 R CA -0.201 55.919 56.100 0.033 0.000 1.073 309 R CB 0.035 30.349 30.300 0.023 0.000 1.401 309 R HN 0.366 nan 8.270 nan 0.000 0.590 310 L N 1.305 122.553 121.223 0.043 0.000 2.418 310 L HA 0.074 4.414 4.340 0.000 0.000 0.274 310 L C 1.530 178.429 176.870 0.048 0.000 1.135 310 L CA 0.438 55.306 54.840 0.047 0.000 0.870 310 L CB 1.209 43.293 42.059 0.042 0.000 1.154 310 L HN 0.229 nan 8.230 nan 0.000 0.462 311 T N -1.886 112.707 114.554 0.065 0.000 3.001 311 T HA 0.088 4.438 4.350 0.000 0.000 0.251 311 T C 0.166 174.940 174.700 0.124 0.000 1.040 311 T CA -0.089 62.054 62.100 0.072 0.000 0.985 311 T CB -0.052 68.854 68.868 0.063 0.000 1.011 311 T HN 0.599 nan 8.240 nan 0.000 0.509 312 H N -0.165 118.916 119.070 0.018 0.000 2.947 312 H HA 0.688 5.244 4.556 0.000 0.000 0.354 312 H C -1.941 173.409 175.328 0.037 0.000 1.085 312 H CA -0.762 55.299 56.048 0.021 0.000 1.253 312 H CB 2.243 32.015 29.762 0.017 0.000 1.757 312 H HN 0.132 nan 8.280 nan 0.000 0.523 313 V N 4.805 124.391 119.914 -0.546 0.000 2.823 313 V HA 0.237 4.357 4.120 0.000 0.000 0.296 313 V C -1.734 174.121 176.094 -0.399 0.000 1.250 313 V CA -0.659 61.409 62.300 -0.387 0.000 0.939 313 V CB 2.003 33.777 31.823 -0.082 0.000 1.062 313 V HN 0.968 nan 8.190 nan 0.000 0.433 314 D N 5.748 125.967 120.400 -0.301 0.000 2.485 314 D HA 0.348 4.988 4.640 0.000 0.000 0.229 314 D C 1.155 177.448 176.300 -0.013 0.000 1.101 314 D CA -0.251 53.666 54.000 -0.138 0.000 0.906 314 D CB 1.132 41.899 40.800 -0.054 0.000 1.019 314 D HN 0.581 nan 8.370 nan 0.000 0.516 315 L N 1.989 123.196 121.223 -0.026 0.000 2.261 315 L HA -0.164 4.176 4.340 0.000 0.000 0.216 315 L C 2.317 179.191 176.870 0.007 0.000 1.114 315 L CA 1.103 55.936 54.840 -0.011 0.000 0.777 315 L CB -0.455 41.582 42.059 -0.037 0.000 0.910 315 L HN 0.340 nan 8.230 nan 0.000 0.440 316 S N -0.200 115.508 115.700 0.014 0.000 2.515 316 S HA -0.050 4.420 4.470 0.000 0.000 0.231 316 S C 1.640 176.266 174.600 0.043 0.000 0.987 316 S CA 0.485 58.703 58.200 0.031 0.000 0.936 316 S CB -0.402 62.819 63.200 0.036 0.000 0.766 316 S HN 0.472 nan 8.310 nan 0.000 0.528 317 L N 0.641 121.899 121.223 0.058 0.000 2.599 317 L HA 0.393 4.733 4.340 0.000 0.000 0.230 317 L C 0.024 176.944 176.870 0.083 0.000 1.141 317 L CA 0.311 55.199 54.840 0.078 0.000 0.877 317 L CB -0.309 41.814 42.059 0.108 0.000 1.009 317 L HN 0.342 nan 8.230 nan 0.000 0.447 318 I N 0.047 120.649 120.570 0.053 0.000 2.750 318 I HA 0.195 4.365 4.170 0.000 0.000 0.279 318 I C -1.837 174.284 176.117 0.008 0.000 1.206 318 I CA -1.331 59.982 61.300 0.022 0.000 1.101 318 I CB 1.107 39.070 38.000 -0.062 0.000 1.431 318 I HN -0.142 nan 8.210 nan 0.000 0.551 319 P HA -0.065 nan 4.420 nan 0.000 0.237 319 P C 1.322 178.640 177.300 0.031 0.000 1.178 319 P CA 0.738 63.856 63.100 0.030 0.000 0.766 319 P CB 0.124 31.844 31.700 0.033 0.000 0.876 320 S N -1.624 114.087 115.700 0.019 0.000 2.558 320 S HA 0.070 4.540 4.470 0.000 0.000 0.217 320 S C 0.794 175.426 174.600 0.053 0.000 0.975 320 S CA -0.203 58.014 58.200 0.028 0.000 0.912 320 S CB -1.006 62.198 63.200 0.007 0.000 0.776 320 S HN 0.048 nan 8.310 nan 0.000 0.526 321 L N 1.772 123.016 121.223 0.034 0.000 2.540 321 L HA 0.125 4.465 4.340 0.000 0.000 0.276 321 L C 1.096 178.059 176.870 0.154 0.000 1.212 321 L CA -0.001 54.867 54.840 0.047 0.000 0.893 321 L CB 0.361 42.411 42.059 -0.015 0.000 1.138 321 L HN 0.293 nan 8.230 nan 0.000 0.491 322 F N 1.884 121.849 119.950 0.024 0.000 2.514 322 F HA 0.214 4.741 4.527 0.000 0.000 0.281 322 F C 0.573 176.457 175.800 0.141 0.000 1.060 322 F CA 0.216 58.270 58.000 0.090 0.000 1.397 322 F CB 0.396 39.473 39.000 0.127 0.000 1.129 322 F HN 0.396 nan 8.300 nan 0.000 0.620 323 H N -0.032 118.930 119.070 -0.180 0.000 2.717 323 H HA 0.753 5.309 4.556 0.000 0.000 0.366 323 H C -1.048 174.208 175.328 -0.119 0.000 1.132 323 H CA -0.522 55.378 56.048 -0.247 0.000 1.180 323 H CB 1.754 31.400 29.762 -0.194 0.000 1.678 323 H HN 0.195 nan 8.280 nan 0.000 0.537 324 A N 2.755 125.549 122.820 -0.043 0.000 2.574 324 A HA 0.563 4.883 4.320 0.000 0.000 0.297 324 A C -1.383 176.185 177.584 -0.027 0.000 1.062 324 A CA -0.734 51.284 52.037 -0.032 0.000 0.686 324 A CB 1.584 20.548 19.000 -0.060 0.000 1.285 324 A HN 0.594 nan 8.150 nan 0.000 0.403 325 N N 1.139 119.835 118.700 -0.006 0.000 2.549 325 N HA 0.375 5.115 4.740 0.000 0.000 0.281 325 N C -0.505 175.016 175.510 0.018 0.000 1.084 325 N CA 0.037 53.094 53.050 0.011 0.000 0.862 325 N CB 1.874 40.382 38.487 0.034 0.000 1.333 325 N HN 1.027 nan 8.380 nan 0.000 0.523 326 V N 1.123 121.044 119.914 0.013 0.000 3.085 326 V HA 0.354 4.475 4.120 0.000 0.000 0.345 326 V C 0.823 176.941 176.094 0.041 0.000 1.397 326 V CA -0.388 61.925 62.300 0.023 0.000 1.165 326 V CB -0.658 31.165 31.823 0.001 0.000 1.153 326 V HN 0.555 nan 8.190 nan 0.000 0.495 327 S N -0.028 115.710 115.700 0.063 0.000 2.559 327 S HA 0.215 4.685 4.470 0.000 0.000 0.282 327 S C 0.119 174.829 174.600 0.183 0.000 1.336 327 S CA 0.524 58.776 58.200 0.086 0.000 1.037 327 S CB -0.527 62.757 63.200 0.140 0.000 0.853 327 S HN 0.992 nan 8.310 nan 0.000 0.523 328 Y N 0.009 120.344 120.300 0.057 0.000 3.305 328 Y HA -0.193 4.357 4.550 0.000 0.000 0.209 328 Y C 0.568 176.475 175.900 0.012 0.000 1.354 328 Y CA 0.839 58.950 58.100 0.017 0.000 1.392 328 Y CB -2.294 36.127 38.460 -0.065 0.000 1.446 328 Y HN 0.747 nan 8.280 nan 0.000 0.553 329 N N -0.322 118.442 118.700 0.107 0.000 3.061 329 N HA 0.617 5.357 4.740 0.000 0.000 0.346 329 N C 0.351 175.893 175.510 0.054 0.000 1.392 329 N CA -0.648 52.447 53.050 0.075 0.000 0.762 329 N CB 0.617 39.136 38.487 0.053 0.000 1.367 329 N HN 0.116 nan 8.380 nan 0.000 0.607 330 L N 1.327 122.575 121.223 0.042 0.000 3.141 330 L HA 0.400 4.740 4.340 0.000 0.000 0.267 330 L C -0.118 176.766 176.870 0.024 0.000 1.281 330 L CA -0.050 54.812 54.840 0.036 0.000 1.037 330 L CB 0.029 42.111 42.059 0.039 0.000 1.407 330 L HN 0.168 nan 8.230 nan 0.000 0.566 331 L N -0.039 121.192 121.223 0.012 0.000 2.452 331 L HA 0.099 4.439 4.340 0.000 0.000 0.267 331 L C 1.352 178.216 176.870 -0.011 0.000 1.188 331 L CA 0.345 55.184 54.840 -0.001 0.000 0.821 331 L CB 1.226 43.272 42.059 -0.022 0.000 1.102 331 L HN 0.288 nan 8.230 nan 0.000 0.470 332 S N -1.772 113.921 115.700 -0.011 0.000 2.649 332 S HA 0.187 4.657 4.470 0.000 0.000 0.246 332 S C 0.434 175.008 174.600 -0.043 0.000 1.057 332 S CA -0.334 57.852 58.200 -0.023 0.000 1.051 332 S CB 0.654 63.851 63.200 -0.006 0.000 1.018 332 S HN 0.606 nan 8.310 nan 0.000 0.569 333 T N 2.515 117.045 114.554 -0.040 0.000 2.893 333 T HA 0.691 5.041 4.350 0.000 0.000 0.291 333 T C -1.807 172.844 174.700 -0.082 0.000 1.028 333 T CA -0.463 61.599 62.100 -0.063 0.000 0.995 333 T CB 1.975 70.827 68.868 -0.027 0.000 1.051 333 T HN 0.240 nan 8.240 nan 0.000 0.470 334 L N 3.005 124.154 121.223 -0.122 0.000 2.377 334 L HA 0.794 5.134 4.340 0.000 0.000 0.270 334 L C -0.319 176.489 176.870 -0.103 0.000 0.991 334 L CA -0.454 54.309 54.840 -0.128 0.000 0.851 334 L CB 0.530 42.479 42.059 -0.185 0.000 1.218 334 L HN 0.782 nan 8.230 nan 0.000 0.420 335 A N 6.133 128.913 122.820 -0.066 0.000 2.331 335 A HA 0.713 5.033 4.320 0.000 0.000 0.283 335 A C -0.418 177.155 177.584 -0.019 0.000 1.142 335 A CA -0.313 51.708 52.037 -0.027 0.000 0.812 335 A CB 0.183 19.177 19.000 -0.010 0.000 1.074 335 A HN 0.697 nan 8.150 nan 0.000 0.497 336 I N 4.611 125.196 120.570 0.025 0.000 2.389 336 I HA 0.336 4.506 4.170 0.000 0.000 0.288 336 I C -2.099 174.066 176.117 0.079 0.000 0.999 336 I CA -2.165 59.157 61.300 0.038 0.000 1.129 336 I CB 2.389 40.425 38.000 0.059 0.000 1.288 336 I HN 0.512 nan 8.210 nan 0.000 0.444 337 P HA 0.208 nan 4.420 nan 0.000 0.279 337 P C 0.803 178.148 177.300 0.076 0.000 1.282 337 P CA -0.337 62.794 63.100 0.052 0.000 0.788 337 P CB 1.506 33.223 31.700 0.028 0.000 1.139 338 I N -0.817 119.791 120.570 0.064 0.000 2.830 338 I HA -0.061 4.109 4.170 0.000 0.000 0.263 338 I C 1.131 177.294 176.117 0.077 0.000 1.230 338 I CA 1.269 62.609 61.300 0.067 0.000 1.480 338 I CB -0.167 37.861 38.000 0.047 0.000 1.095 338 I HN 0.329 nan 8.210 nan 0.000 0.455 339 A N -0.269 122.598 122.820 0.078 0.000 2.661 339 A HA 0.290 4.610 4.320 0.000 0.000 0.278 339 A C 0.230 177.874 177.584 0.099 0.000 1.090 339 A CA -0.170 51.922 52.037 0.091 0.000 0.969 339 A CB -0.105 18.950 19.000 0.092 0.000 1.240 339 A HN 0.105 nan 8.150 nan 0.000 0.578 340 V N 0.521 120.471 119.914 0.060 0.000 2.811 340 V HA 0.219 4.340 4.120 0.000 0.000 0.302 340 V C 1.018 177.074 176.094 -0.064 0.000 1.063 340 V CA 1.177 63.474 62.300 -0.005 0.000 1.088 340 V CB 1.513 33.309 31.823 -0.046 0.000 0.982 340 V HN 0.663 nan 8.190 nan 0.000 0.485 341 E N 3.209 123.269 120.200 -0.234 0.000 2.399 341 E HA 0.226 4.576 4.350 0.000 0.000 0.205 341 E C 0.057 176.419 176.600 -0.396 0.000 0.906 341 E CA 0.017 56.262 56.400 -0.258 0.000 0.998 341 E CB 0.447 30.016 29.700 -0.218 0.000 1.002 341 E HN 0.841 nan 8.360 nan 0.000 0.501 342 E N 0.956 120.783 120.200 -0.623 0.000 2.260 342 E HA 0.353 4.703 4.350 0.000 0.000 0.266 342 E C -1.684 174.698 176.600 -0.363 0.000 0.887 342 E CA -0.691 55.391 56.400 -0.530 0.000 0.777 342 E CB 2.392 31.582 29.700 -0.849 0.000 1.205 342 E HN 0.033 nan 8.360 nan 0.000 0.414 343 L N 2.666 123.767 121.223 -0.204 0.000 2.438 343 L HA 0.487 4.827 4.340 0.000 0.000 0.270 343 L C -1.636 175.181 176.870 -0.089 0.000 0.972 343 L CA -0.407 54.351 54.840 -0.138 0.000 0.831 343 L CB 1.811 43.793 42.059 -0.129 0.000 1.273 343 L HN 0.364 nan 8.230 nan 0.000 0.405 344 D N 4.125 124.490 120.400 -0.057 0.000 2.471 344 D HA 0.639 5.279 4.640 0.000 0.000 0.245 344 D C -0.497 175.790 176.300 -0.021 0.000 1.116 344 D CA 0.009 53.996 54.000 -0.023 0.000 0.853 344 D CB 2.061 42.867 40.800 0.009 0.000 1.123 344 D HN 0.698 nan 8.370 nan 0.000 0.540 345 A N 3.009 125.808 122.820 -0.035 0.000 2.616 345 A HA 0.298 4.618 4.320 0.000 0.000 0.294 345 A C 0.649 178.203 177.584 -0.049 0.000 1.091 345 A CA -0.320 51.690 52.037 -0.044 0.000 0.971 345 A CB -0.268 18.686 19.000 -0.076 0.000 1.222 345 A HN 0.461 nan 8.150 nan 0.000 0.521 346 S N -0.087 115.592 115.700 -0.035 0.000 2.580 346 S HA 0.224 4.694 4.470 0.000 0.000 0.266 346 S C 0.475 175.005 174.600 -0.116 0.000 1.354 346 S CA 0.372 58.528 58.200 -0.074 0.000 1.008 346 S CB -0.240 62.955 63.200 -0.009 0.000 0.898 346 S HN 0.608 nan 8.310 nan 0.000 0.555 347 H N 0.180 119.105 119.070 -0.241 0.000 2.677 347 H HA -0.124 4.432 4.556 0.000 0.000 0.321 347 H C 0.095 175.302 175.328 -0.202 0.000 1.171 347 H CA 0.855 56.693 56.048 -0.351 0.000 1.139 347 H CB -2.020 27.147 29.762 -0.991 0.000 1.515 347 H HN 0.644 nan 8.280 nan 0.000 0.423 348 N N -0.327 118.342 118.700 -0.051 0.000 3.178 348 N HA 0.307 5.047 4.740 0.000 0.000 0.352 348 N C 0.190 175.695 175.510 -0.010 0.000 1.423 348 N CA -0.514 52.524 53.050 -0.020 0.000 0.698 348 N CB 0.968 39.437 38.487 -0.030 0.000 1.400 348 N HN 0.025 nan 8.380 nan 0.000 0.586 349 S N 0.600 116.294 115.700 -0.011 0.000 2.384 349 S HA 0.415 4.885 4.470 0.000 0.000 0.227 349 S C 0.198 174.779 174.600 -0.032 0.000 1.257 349 S CA -0.404 57.790 58.200 -0.011 0.000 1.249 349 S CB -0.274 62.928 63.200 0.003 0.000 1.018 349 S HN 0.301 nan 8.310 nan 0.000 0.478 350 I N 3.240 123.776 120.570 -0.056 0.000 2.588 350 I HA 0.114 4.284 4.170 0.000 0.000 0.283 350 I C 0.940 177.002 176.117 -0.091 0.000 1.119 350 I CA -0.212 61.034 61.300 -0.090 0.000 1.419 350 I CB 0.631 38.548 38.000 -0.138 0.000 1.394 350 I HN 0.368 nan 8.210 nan 0.000 0.562 351 N N 4.252 122.896 118.700 -0.093 0.000 2.145 351 N HA 0.136 4.876 4.740 0.000 0.000 0.219 351 N C -0.629 174.810 175.510 -0.118 0.000 1.266 351 N CA -0.063 52.939 53.050 -0.079 0.000 0.902 351 N CB 0.725 39.190 38.487 -0.035 0.000 1.078 351 N HN 0.263 nan 8.380 nan 0.000 0.513 352 V N 1.096 120.912 119.914 -0.163 0.000 2.623 352 V HA 0.519 4.639 4.120 0.000 0.000 0.304 352 V C -0.848 175.079 176.094 -0.278 0.000 1.054 352 V CA -0.893 61.300 62.300 -0.179 0.000 0.882 352 V CB 2.277 34.047 31.823 -0.088 0.000 1.002 352 V HN -0.071 nan 8.190 nan 0.000 0.424 353 V N 5.945 125.615 119.914 -0.407 0.000 2.513 353 V HA 0.779 4.899 4.120 0.000 0.000 0.299 353 V C -0.075 175.949 176.094 -0.117 0.000 1.035 353 V CA -0.694 61.365 62.300 -0.401 0.000 0.889 353 V CB 1.916 33.208 31.823 -0.885 0.000 0.988 353 V HN 1.055 nan 8.190 nan 0.000 0.440 354 R N 2.355 122.837 120.500 -0.030 0.000 2.764 354 R HA 0.950 5.290 4.340 0.000 0.000 0.270 354 R C -0.277 176.077 176.300 0.090 0.000 1.014 354 R CA -0.463 55.667 56.100 0.050 0.000 0.904 354 R CB 2.253 32.565 30.300 0.020 0.000 1.236 354 R HN 1.317 nan 8.270 nan 0.000 0.466 355 G N 0.600 109.453 108.800 0.089 0.000 2.339 355 G HA2 0.172 4.132 3.960 0.000 0.000 0.381 355 G HA3 0.172 4.132 3.960 0.000 0.000 0.381 355 G C -3.020 171.913 174.900 0.056 0.000 1.400 355 G CA -1.069 44.081 45.100 0.084 0.000 1.002 355 G HN 0.556 nan 8.290 nan 0.000 0.633 356 P HA 0.409 nan 4.420 nan 0.000 0.269 356 P C 0.660 177.922 177.300 -0.063 0.000 1.215 356 P CA -0.367 62.730 63.100 -0.004 0.000 0.780 356 P CB 0.659 32.366 31.700 0.012 0.000 0.898 357 V N 2.937 122.785 119.914 -0.111 0.000 2.726 357 V HA -0.101 4.019 4.120 0.000 0.000 0.304 357 V C 0.913 176.937 176.094 -0.116 0.000 1.115 357 V CA 0.895 63.082 62.300 -0.189 0.000 1.264 357 V CB -0.707 31.038 31.823 -0.130 0.000 0.867 357 V HN 0.732 nan 8.190 nan 0.000 0.498 358 N N 4.228 122.845 118.700 -0.139 0.000 2.519 358 N HA 0.251 4.991 4.740 0.000 0.000 0.286 358 N C -0.027 175.528 175.510 0.076 0.000 1.079 358 N CA -0.322 52.753 53.050 0.041 0.000 0.878 358 N CB 2.130 40.731 38.487 0.191 0.000 1.375 358 N HN 0.367 nan 8.380 nan 0.000 0.514 359 V N 0.470 120.418 119.914 0.056 0.000 3.649 359 V HA 0.347 4.467 4.120 0.000 0.000 0.275 359 V C 0.903 177.045 176.094 0.080 0.000 1.281 359 V CA 0.599 62.933 62.300 0.057 0.000 1.143 359 V CB -0.048 31.793 31.823 0.031 0.000 0.892 359 V HN 0.450 nan 8.190 nan 0.000 0.441 360 E N 0.647 120.903 120.200 0.092 0.000 2.340 360 E HA 0.225 4.575 4.350 0.000 0.000 0.194 360 E C 0.850 177.498 176.600 0.080 0.000 0.996 360 E CA -0.087 56.367 56.400 0.090 0.000 0.869 360 E CB 0.298 30.059 29.700 0.102 0.000 0.835 360 E HN 0.566 nan 8.360 nan 0.000 0.493 361 L N 2.083 123.366 121.223 0.101 0.000 2.615 361 L HA -0.039 4.301 4.340 0.000 0.000 0.271 361 L C 0.825 177.725 176.870 0.051 0.000 1.183 361 L CA 0.884 55.763 54.840 0.064 0.000 0.933 361 L CB 0.527 42.660 42.059 0.122 0.000 1.199 361 L HN -0.137 nan 8.230 nan 0.000 0.487 362 T N 4.848 119.400 114.554 -0.004 0.000 3.087 362 T HA 0.358 4.708 4.350 0.000 0.000 0.237 362 T C 0.483 175.186 174.700 0.004 0.000 0.990 362 T CA 0.389 62.495 62.100 0.010 0.000 1.160 362 T CB 0.137 69.007 68.868 0.004 0.000 0.923 362 T HN 0.371 nan 8.240 nan 0.000 0.442 363 I N 2.438 122.983 120.570 -0.041 0.000 2.362 363 I HA 0.477 4.647 4.170 0.000 0.000 0.289 363 I C -1.444 174.648 176.117 -0.041 0.000 0.994 363 I CA -0.867 60.420 61.300 -0.021 0.000 1.158 363 I CB 1.866 39.850 38.000 -0.026 0.000 1.315 363 I HN 0.065 nan 8.210 nan 0.000 0.451 364 L N 8.075 129.300 121.223 0.004 0.000 2.372 364 L HA 0.499 4.839 4.340 0.000 0.000 0.273 364 L C -0.971 175.919 176.870 0.034 0.000 0.989 364 L CA -0.466 54.369 54.840 -0.009 0.000 0.841 364 L CB 0.843 42.895 42.059 -0.011 0.000 1.225 364 L HN 0.316 nan 8.230 nan 0.000 0.414 365 K N 6.930 127.336 120.400 0.011 0.000 2.263 365 K HA 0.438 4.758 4.320 0.000 0.000 0.272 365 K C -0.178 176.429 176.600 0.011 0.000 1.033 365 K CA -0.114 56.191 56.287 0.029 0.000 0.884 365 K CB 1.795 34.309 32.500 0.022 0.000 1.107 365 K HN 0.713 nan 8.250 nan 0.000 0.460 366 L N 2.189 123.431 121.223 0.031 0.000 3.229 366 L HA 0.032 4.372 4.340 0.000 0.000 0.286 366 L C 0.751 177.616 176.870 -0.008 0.000 1.239 366 L CA -0.320 54.520 54.840 0.000 0.000 1.035 366 L CB 0.575 42.647 42.059 0.022 0.000 1.408 366 L HN 0.547 nan 8.230 nan 0.000 0.593 367 Q N 0.398 120.196 119.800 -0.003 0.000 2.386 367 Q HA -0.078 4.262 4.340 0.000 0.000 0.282 367 Q C -0.490 175.440 176.000 -0.117 0.000 1.050 367 Q CA 0.513 56.300 55.803 -0.026 0.000 0.918 367 Q CB 0.205 28.962 28.738 0.031 0.000 1.266 367 Q HN 0.293 nan 8.270 nan 0.000 0.423 368 H N 1.001 119.972 119.070 -0.164 0.000 2.969 368 H HA -0.104 4.452 4.556 0.000 0.000 0.347 368 H C -0.833 174.376 175.328 -0.197 0.000 1.235 368 H CA 0.718 56.595 56.048 -0.285 0.000 1.179 368 H CB -1.148 28.104 29.762 -0.850 0.000 1.578 368 H HN 0.752 nan 8.280 nan 0.000 0.431 369 N N 0.331 119.008 118.700 -0.038 0.000 3.418 369 N HA 0.118 4.858 4.740 0.000 0.000 0.316 369 N C 0.166 175.669 175.510 -0.012 0.000 1.601 369 N CA -0.664 52.368 53.050 -0.029 0.000 0.805 369 N CB 0.779 39.237 38.487 -0.048 0.000 1.873 369 N HN 0.216 nan 8.380 nan 0.000 0.615 370 N N 0.618 119.308 118.700 -0.017 0.000 2.467 370 N HA 0.348 5.088 4.740 0.000 0.000 0.278 370 N C -1.124 174.384 175.510 -0.004 0.000 1.306 370 N CA -0.075 52.969 53.050 -0.010 0.000 0.905 370 N CB -0.202 38.277 38.487 -0.013 0.000 1.236 370 N HN 0.373 nan 8.380 nan 0.000 0.509 371 L N 0.256 121.486 121.223 0.011 0.000 2.380 371 L HA 0.263 4.603 4.340 0.000 0.000 0.273 371 L C 1.169 178.081 176.870 0.070 0.000 1.138 371 L CA 0.144 55.014 54.840 0.050 0.000 0.832 371 L CB 1.193 43.320 42.059 0.113 0.000 1.124 371 L HN 0.277 nan 8.230 nan 0.000 0.454 372 T N -3.658 110.947 114.554 0.085 0.000 3.041 372 T HA 0.148 4.498 4.350 0.000 0.000 0.276 372 T C -0.105 174.649 174.700 0.089 0.000 0.948 372 T CA -0.470 61.672 62.100 0.070 0.000 0.885 372 T CB 0.169 69.062 68.868 0.041 0.000 1.175 372 T HN 0.664 nan 8.240 nan 0.000 0.529 373 D N 0.970 121.457 120.400 0.146 0.000 2.559 373 D HA 0.319 4.959 4.640 0.000 0.000 0.250 373 D C 0.068 176.490 176.300 0.203 0.000 1.135 373 D CA -0.336 53.744 54.000 0.133 0.000 0.955 373 D CB 1.801 42.666 40.800 0.109 0.000 1.442 373 D HN 0.082 nan 8.370 nan 0.000 0.471 374 T N -4.038 110.503 114.554 -0.021 0.000 3.091 374 T HA 0.400 4.750 4.350 0.000 0.000 0.277 374 T C 1.583 175.888 174.700 -0.658 0.000 0.996 374 T CA 0.409 62.278 62.100 -0.385 0.000 0.897 374 T CB 0.124 68.766 68.868 -0.376 0.000 1.109 374 T HN 0.482 nan 8.240 nan 0.000 0.534 375 A N 2.142 124.796 122.820 -0.276 0.000 2.024 375 A HA -0.021 4.299 4.320 0.000 0.000 0.220 375 A C 2.106 179.548 177.584 -0.237 0.000 1.164 375 A CA 1.364 53.262 52.037 -0.231 0.000 0.643 375 A CB -1.279 17.676 19.000 -0.075 0.000 0.806 375 A HN 0.893 nan 8.150 nan 0.000 0.451 376 W N -0.485 120.791 121.300 -0.040 0.000 2.421 376 W HA -0.061 4.599 4.660 0.000 0.000 0.270 376 W C 1.103 177.665 176.519 0.072 0.000 1.233 376 W CA 0.604 57.962 57.345 0.022 0.000 1.226 376 W CB -1.239 28.260 29.460 0.065 0.000 1.121 376 W HN 0.247 nan 8.180 nan 0.000 0.579 377 L N 0.829 121.596 121.223 -0.760 0.000 2.349 377 L HA -0.223 4.117 4.340 0.000 0.000 0.220 377 L C 2.637 179.391 176.870 -0.193 0.000 1.130 377 L CA 0.590 55.103 54.840 -0.545 0.000 0.791 377 L CB -0.750 40.746 42.059 -0.938 0.000 0.918 377 L HN -0.028 nan 8.230 nan 0.000 0.444 378 L N -0.042 121.055 121.223 -0.210 0.000 2.191 378 L HA -0.168 4.172 4.340 0.000 0.000 0.212 378 L C 1.947 178.730 176.870 -0.145 0.000 1.103 378 L CA 1.548 56.293 54.840 -0.158 0.000 0.769 378 L CB -0.591 41.388 42.059 -0.134 0.000 0.908 378 L HN 0.302 nan 8.230 nan 0.000 0.438 379 N N -1.199 117.376 118.700 -0.208 0.000 2.521 379 N HA -0.078 4.662 4.740 0.000 0.000 0.188 379 N C -0.553 174.469 175.510 -0.813 0.000 1.146 379 N CA 0.517 53.270 53.050 -0.495 0.000 0.893 379 N CB -0.004 38.113 38.487 -0.616 0.000 0.975 379 N HN 0.378 nan 8.380 nan 0.000 0.451 380 Y N -0.210 120.102 120.300 0.019 0.000 2.495 380 Y HA 0.317 4.867 4.550 0.000 0.000 0.362 380 Y C -1.629 174.284 175.900 0.023 0.000 0.956 380 Y CA -2.022 56.100 58.100 0.037 0.000 1.127 380 Y CB 1.173 39.677 38.460 0.073 0.000 1.173 380 Y HN -0.032 nan 8.280 nan 0.000 0.639 381 P HA -0.086 nan 4.420 nan 0.000 0.228 381 P C 1.353 178.698 177.300 0.075 0.000 1.151 381 P CA 1.219 64.349 63.100 0.051 0.000 0.770 381 P CB 0.372 32.082 31.700 0.016 0.000 0.786 382 G N -0.542 108.316 108.800 0.096 0.000 3.141 382 G HA2 0.156 4.116 3.960 0.000 0.000 0.218 382 G HA3 0.156 4.116 3.960 0.000 0.000 0.218 382 G C 0.538 175.493 174.900 0.091 0.000 1.170 382 G CA -0.283 44.868 45.100 0.086 0.000 0.769 382 G HN 0.188 nan 8.290 nan 0.000 0.546 383 L N 0.212 121.502 121.223 0.112 0.000 2.506 383 L HA 0.079 4.419 4.340 0.000 0.000 0.281 383 L C 1.429 178.345 176.870 0.077 0.000 1.228 383 L CA -0.245 54.653 54.840 0.098 0.000 0.850 383 L CB 1.390 43.520 42.059 0.118 0.000 1.110 383 L HN -0.043 nan 8.230 nan 0.000 0.496 384 V N 0.314 120.267 119.914 0.064 0.000 3.090 384 V HA 0.109 4.229 4.120 0.000 0.000 0.237 384 V C 0.319 176.446 176.094 0.055 0.000 1.209 384 V CA 0.358 62.691 62.300 0.054 0.000 1.209 384 V CB 0.539 32.393 31.823 0.050 0.000 0.971 384 V HN 0.837 nan 8.190 nan 0.000 0.477 385 E N 0.240 120.484 120.200 0.073 0.000 2.248 385 E HA 0.565 4.915 4.350 0.000 0.000 0.267 385 E C -1.928 174.746 176.600 0.123 0.000 0.877 385 E CA -0.280 56.182 56.400 0.102 0.000 0.759 385 E CB 2.835 32.627 29.700 0.152 0.000 1.182 385 E HN 0.019 nan 8.360 nan 0.000 0.418 386 V N 3.417 123.419 119.914 0.147 0.000 2.709 386 V HA 0.403 4.523 4.120 0.000 0.000 0.308 386 V C -1.712 174.531 176.094 0.250 0.000 1.062 386 V CA -0.624 61.781 62.300 0.174 0.000 0.901 386 V CB 1.991 33.911 31.823 0.163 0.000 1.003 386 V HN 0.809 nan 8.190 nan 0.000 0.425 387 D N 5.305 125.847 120.400 0.237 0.000 2.441 387 D HA 0.384 5.024 4.640 0.000 0.000 0.231 387 D C 0.290 176.698 176.300 0.179 0.000 1.073 387 D CA -0.139 54.015 54.000 0.257 0.000 0.850 387 D CB 1.551 42.443 40.800 0.154 0.000 1.062 387 D HN 0.578 nan 8.370 nan 0.000 0.524 388 L N 1.823 123.158 121.223 0.187 0.000 2.728 388 L HA 0.194 4.534 4.340 0.000 0.000 0.238 388 L C 1.082 178.001 176.870 0.082 0.000 1.143 388 L CA -0.301 54.627 54.840 0.146 0.000 0.937 388 L CB 0.206 42.367 42.059 0.170 0.000 1.225 388 L HN 0.174 nan 8.230 nan 0.000 0.507 389 S N -0.381 115.365 115.700 0.077 0.000 2.542 389 S HA -0.095 4.375 4.470 0.000 0.000 0.287 389 S C 0.210 174.773 174.600 -0.060 0.000 1.315 389 S CA 0.257 58.456 58.200 -0.001 0.000 1.037 389 S CB -0.146 63.111 63.200 0.096 0.000 0.822 389 S HN 0.379 nan 8.310 nan 0.000 0.513 390 Y N -0.084 120.059 120.300 -0.261 0.000 3.225 390 Y HA -0.267 4.283 4.550 0.000 0.000 0.211 390 Y C 0.766 176.510 175.900 -0.259 0.000 1.223 390 Y CA 0.427 58.283 58.100 -0.406 0.000 1.284 390 Y CB -1.840 35.968 38.460 -1.088 0.000 1.367 390 Y HN 0.541 nan 8.280 nan 0.000 0.566 391 N N 0.054 118.712 118.700 -0.071 0.000 2.879 391 N HA 0.296 5.036 4.740 0.000 0.000 0.329 391 N C 0.501 175.999 175.510 -0.019 0.000 1.337 391 N CA -0.560 52.477 53.050 -0.021 0.000 0.844 391 N CB 0.724 39.223 38.487 0.020 0.000 1.236 391 N HN 0.119 nan 8.380 nan 0.000 0.601 392 E N 1.094 121.298 120.200 0.007 0.000 2.736 392 E HA 0.279 4.629 4.350 0.000 0.000 0.208 392 E C -0.364 176.251 176.600 0.025 0.000 0.996 392 E CA -0.240 56.165 56.400 0.009 0.000 1.104 392 E CB 0.079 29.784 29.700 0.008 0.000 1.111 392 E HN 0.371 nan 8.360 nan 0.000 0.455 393 L N 0.820 122.062 121.223 0.031 0.000 2.416 393 L HA 0.111 4.451 4.340 0.000 0.000 0.272 393 L C 1.430 178.325 176.870 0.041 0.000 1.161 393 L CA 0.313 55.180 54.840 0.044 0.000 0.845 393 L CB 0.718 42.811 42.059 0.056 0.000 1.119 393 L HN 0.037 nan 8.230 nan 0.000 0.464 394 E N 1.765 121.991 120.200 0.043 0.000 2.413 394 E HA 0.050 4.400 4.350 0.000 0.000 0.203 394 E C -0.341 176.287 176.600 0.046 0.000 0.957 394 E CA 0.218 56.647 56.400 0.048 0.000 0.950 394 E CB 0.676 30.400 29.700 0.040 0.000 0.957 394 E HN 0.549 nan 8.360 nan 0.000 0.497 395 K N 0.005 120.430 120.400 0.040 0.000 2.533 395 K HA 0.494 4.814 4.320 0.000 0.000 0.272 395 K C -1.208 175.420 176.600 0.045 0.000 0.985 395 K CA -0.804 55.507 56.287 0.041 0.000 0.876 395 K CB 1.851 34.369 32.500 0.029 0.000 1.452 395 K HN -0.217 nan 8.250 nan 0.000 0.439 396 I N 2.062 122.664 120.570 0.053 0.000 2.465 396 I HA 0.411 4.581 4.170 0.000 0.000 0.291 396 I C -0.625 175.519 176.117 0.045 0.000 1.014 396 I CA -0.864 60.483 61.300 0.079 0.000 1.093 396 I CB 1.744 39.809 38.000 0.108 0.000 1.267 396 I HN 0.714 nan 8.210 nan 0.000 0.431 397 M N 4.957 124.570 119.600 0.023 0.000 2.690 397 M HA 0.297 4.777 4.480 0.000 0.000 0.302 397 M C 0.412 176.667 176.300 -0.075 0.000 1.234 397 M CA -0.557 54.677 55.300 -0.111 0.000 0.853 397 M CB 1.649 34.125 32.600 -0.208 0.000 1.748 397 M HN 0.563 nan 8.290 nan 0.000 0.469 398 Y N -1.427 118.731 120.300 -0.237 0.000 2.561 398 Y HA 0.032 4.582 4.550 0.000 0.000 0.291 398 Y C 1.631 177.474 175.900 -0.094 0.000 1.141 398 Y CA 1.079 59.114 58.100 -0.110 0.000 1.303 398 Y CB -1.070 37.241 38.460 -0.249 0.000 1.015 398 Y HN 0.717 nan 8.280 nan 0.000 0.547 399 H N 1.399 120.173 119.070 -0.495 0.000 2.353 399 H HA -0.043 4.513 4.556 0.000 0.000 0.300 399 H C -0.703 174.493 175.328 -0.220 0.000 1.090 399 H CA 1.932 57.748 56.048 -0.387 0.000 1.327 399 H CB -1.326 28.174 29.762 -0.438 0.000 1.383 399 H HN 0.348 nan 8.280 nan 0.000 0.508 400 P HA -0.101 nan 4.420 nan 0.000 0.230 400 P C 0.163 177.159 177.300 -0.506 0.000 1.158 400 P CA 1.105 63.950 63.100 -0.426 0.000 0.769 400 P CB 0.001 31.300 31.700 -0.667 0.000 0.807 401 F N -1.282 118.624 119.950 -0.073 0.000 2.727 401 F HA 0.054 4.581 4.527 0.000 0.000 0.302 401 F C 1.966 177.764 175.800 -0.004 0.000 1.097 401 F CA -0.047 57.927 58.000 -0.044 0.000 1.330 401 F CB -0.874 38.103 39.000 -0.039 0.000 1.084 401 F HN -0.234 nan 8.300 nan 0.000 0.578 402 V N -1.811 118.188 119.914 0.142 0.000 2.913 402 V HA -0.130 3.990 4.120 0.000 0.000 0.260 402 V C 1.508 177.650 176.094 0.081 0.000 1.098 402 V CA 1.484 63.862 62.300 0.130 0.000 1.121 402 V CB -0.667 31.237 31.823 0.134 0.000 0.714 402 V HN 0.290 nan 8.190 nan 0.000 0.487 403 K N 0.094 120.528 120.400 0.056 0.000 2.358 403 K HA 0.417 4.737 4.320 0.000 0.000 0.197 403 K C 0.401 177.030 176.600 0.048 0.000 1.025 403 K CA -0.083 56.226 56.287 0.036 0.000 1.104 403 K CB 0.217 32.721 32.500 0.007 0.000 0.855 403 K HN 0.476 nan 8.250 nan 0.000 0.531 404 M N 1.876 121.522 119.600 0.077 0.000 2.264 404 M HA 0.090 4.570 4.480 0.000 0.000 0.340 404 M C 0.714 177.051 176.300 0.060 0.000 1.420 404 M CA 0.081 55.430 55.300 0.083 0.000 1.254 404 M CB 1.064 33.744 32.600 0.132 0.000 1.575 404 M HN -0.021 nan 8.290 nan 0.000 0.452 405 Q N 2.329 122.158 119.800 0.048 0.000 2.311 405 Q HA -0.045 4.295 4.340 0.000 0.000 0.203 405 Q C 1.044 177.063 176.000 0.032 0.000 0.954 405 Q CA 1.133 56.957 55.803 0.035 0.000 0.885 405 Q CB 0.232 28.989 28.738 0.032 0.000 0.963 405 Q HN 0.710 nan 8.270 nan 0.000 0.471 406 R N -0.796 119.727 120.500 0.039 0.000 2.582 406 R HA 0.248 4.588 4.340 0.000 0.000 0.453 406 R C -0.379 175.941 176.300 0.034 0.000 0.969 406 R CA -0.330 55.789 56.100 0.033 0.000 1.113 406 R CB -0.470 29.851 30.300 0.036 0.000 1.507 406 R HN -0.101 nan 8.270 nan 0.000 0.587 407 L N 1.739 122.984 121.223 0.036 0.000 2.410 407 L HA 0.178 4.518 4.340 0.000 0.000 0.273 407 L C 0.487 177.353 176.870 -0.006 0.000 1.152 407 L CA 0.953 55.809 54.840 0.028 0.000 0.855 407 L CB 0.892 42.975 42.059 0.041 0.000 1.129 407 L HN 0.281 nan 8.230 nan 0.000 0.463 408 E N 3.930 124.124 120.200 -0.010 0.000 2.441 408 E HA 0.225 4.575 4.350 0.000 0.000 0.212 408 E C -0.133 176.427 176.600 -0.066 0.000 0.840 408 E CA -0.035 56.349 56.400 -0.026 0.000 1.143 408 E CB 0.769 30.470 29.700 0.002 0.000 1.153 408 E HN 0.511 nan 8.360 nan 0.000 0.539 409 R N 1.312 121.764 120.500 -0.080 0.000 2.500 409 R HA 0.347 4.687 4.340 0.000 0.000 0.299 409 R C -1.733 174.404 176.300 -0.272 0.000 1.038 409 R CA -0.567 55.416 56.100 -0.195 0.000 0.903 409 R CB 1.658 31.916 30.300 -0.071 0.000 1.177 409 R HN -0.096 nan 8.270 nan 0.000 0.455 410 L N 4.211 125.193 121.223 -0.402 0.000 2.377 410 L HA 0.449 4.789 4.340 0.000 0.000 0.270 410 L C -1.771 174.914 176.870 -0.308 0.000 0.991 410 L CA -0.617 54.067 54.840 -0.260 0.000 0.851 410 L CB 0.828 42.755 42.059 -0.220 0.000 1.218 410 L HN 0.431 nan 8.230 nan 0.000 0.420 411 Y N 5.875 126.215 120.300 0.067 0.000 2.328 411 Y HA 0.558 5.108 4.550 0.000 0.000 0.337 411 Y C 0.723 176.657 175.900 0.056 0.000 1.008 411 Y CA -0.592 57.551 58.100 0.070 0.000 1.129 411 Y CB 1.415 39.919 38.460 0.073 0.000 1.185 411 Y HN 0.486 nan 8.280 nan 0.000 0.476 412 I N 1.309 121.982 120.570 0.172 0.000 3.578 412 I HA 0.089 4.259 4.170 0.000 0.000 0.321 412 I C 0.245 176.379 176.117 0.028 0.000 1.510 412 I CA -0.330 61.024 61.300 0.090 0.000 1.002 412 I CB 0.156 38.200 38.000 0.073 0.000 1.427 412 I HN 0.509 nan 8.210 nan 0.000 0.575 413 S N 0.782 116.499 115.700 0.029 0.000 2.569 413 S HA 0.089 4.559 4.470 0.000 0.000 0.274 413 S C 1.008 175.449 174.600 -0.266 0.000 1.353 413 S CA 0.129 58.290 58.200 -0.065 0.000 1.023 413 S CB 0.416 63.592 63.200 -0.040 0.000 0.876 413 S HN 0.554 nan 8.310 nan 0.000 0.540 414 N N 1.291 119.800 118.700 -0.317 0.000 2.735 414 N HA -0.163 4.577 4.740 0.000 0.000 0.248 414 N C -0.123 175.154 175.510 -0.387 0.000 1.083 414 N CA 0.879 53.609 53.050 -0.534 0.000 0.703 414 N CB -1.627 36.022 38.487 -1.397 0.000 1.005 414 N HN 0.723 nan 8.380 nan 0.000 0.550 415 N N 0.451 119.022 118.700 -0.214 0.000 2.737 415 N HA 0.313 5.053 4.740 0.000 0.000 0.292 415 N C 0.492 175.950 175.510 -0.087 0.000 1.367 415 N CA -0.196 52.782 53.050 -0.121 0.000 0.818 415 N CB 0.482 38.936 38.487 -0.056 0.000 1.109 415 N HN 0.135 nan 8.380 nan 0.000 0.466 416 R N 0.506 120.998 120.500 -0.013 0.000 2.661 416 R HA 0.368 4.708 4.340 0.000 0.000 0.429 416 R C -0.695 175.676 176.300 0.120 0.000 1.044 416 R CA -0.189 55.965 56.100 0.090 0.000 1.065 416 R CB 0.114 30.493 30.300 0.132 0.000 1.377 416 R HN 0.327 nan 8.270 nan 0.000 0.600 417 L N 2.018 123.259 121.223 0.031 0.000 2.584 417 L HA -0.007 4.333 4.340 0.000 0.000 0.272 417 L C 1.585 178.513 176.870 0.097 0.000 1.195 417 L CA 0.056 54.927 54.840 0.052 0.000 0.920 417 L CB 0.705 42.782 42.059 0.029 0.000 1.173 417 L HN 0.156 nan 8.230 nan 0.000 0.489 418 V N 0.087 120.058 119.914 0.095 0.000 3.643 418 V HA 0.569 4.689 4.120 0.000 0.000 0.280 418 V C 0.547 176.680 176.094 0.066 0.000 1.351 418 V CA 0.434 62.788 62.300 0.090 0.000 1.073 418 V CB 0.235 32.094 31.823 0.060 0.000 0.863 418 V HN 0.704 nan 8.190 nan 0.000 0.436 419 A N 0.652 123.509 122.820 0.063 0.000 2.574 419 A HA 0.881 5.201 4.320 0.000 0.000 0.297 419 A C -1.666 175.960 177.584 0.071 0.000 1.062 419 A CA -0.541 51.534 52.037 0.063 0.000 0.686 419 A CB 2.331 21.356 19.000 0.041 0.000 1.285 419 A HN 0.935 nan 8.150 nan 0.000 0.403 420 L N 1.640 122.915 121.223 0.087 0.000 2.505 420 L HA 0.726 5.066 4.340 0.000 0.000 0.266 420 L C -1.561 175.357 176.870 0.080 0.000 0.954 420 L CA -0.194 54.695 54.840 0.082 0.000 0.852 420 L CB 2.130 44.256 42.059 0.112 0.000 1.282 420 L HN 0.675 nan 8.230 nan 0.000 0.403 421 N N 5.443 124.152 118.700 0.015 0.000 2.617 421 N HA 0.385 5.125 4.740 0.000 0.000 0.263 421 N C -1.043 174.386 175.510 -0.135 0.000 1.074 421 N CA -0.313 52.675 53.050 -0.104 0.000 0.841 421 N CB 1.048 39.414 38.487 -0.201 0.000 1.221 421 N HN 0.846 nan 8.380 nan 0.000 0.529 422 L N 3.181 124.320 121.223 -0.140 0.000 3.014 422 L HA 0.218 4.558 4.340 0.000 0.000 0.263 422 L C 0.408 177.153 176.870 -0.207 0.000 1.207 422 L CA -0.160 54.603 54.840 -0.128 0.000 1.017 422 L CB -0.076 41.906 42.059 -0.128 0.000 1.360 422 L HN 0.535 nan 8.230 nan 0.000 0.560 423 Y N -3.423 116.751 120.300 -0.209 0.000 2.507 423 Y HA 0.407 4.957 4.550 0.000 0.000 0.263 423 Y C 1.995 177.684 175.900 -0.351 0.000 1.093 423 Y CA 0.237 58.181 58.100 -0.260 0.000 1.285 423 Y CB -0.903 37.425 38.460 -0.219 0.000 1.115 423 Y HN -0.059 nan 8.280 nan 0.000 0.533 424 G N 0.513 108.769 108.800 -0.906 0.000 2.491 424 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 424 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 424 G C 0.449 174.751 174.900 -0.996 0.000 1.180 424 G CA 1.011 45.493 45.100 -1.030 0.000 0.774 424 G HN 0.448 nan 8.290 nan 0.000 0.562 425 Q N 0.298 119.366 119.800 -1.219 0.000 2.533 425 Q HA 0.336 4.676 4.340 0.000 0.000 0.251 425 Q C -2.733 173.100 176.000 -0.279 0.000 0.966 425 Q CA -1.741 53.736 55.803 -0.543 0.000 0.714 425 Q CB 2.912 31.431 28.738 -0.366 0.000 1.284 425 Q HN 0.106 nan 8.270 nan 0.000 0.478 426 P HA 0.073 nan 4.420 nan 0.000 0.272 426 P C -0.696 176.555 177.300 -0.082 0.000 1.230 426 P CA 0.028 63.052 63.100 -0.125 0.000 0.788 426 P CB 0.708 32.352 31.700 -0.092 0.000 0.949 427 I N 4.157 124.677 120.570 -0.083 0.000 2.329 427 I HA 0.103 4.273 4.170 0.000 0.000 0.295 427 I C -1.349 174.739 176.117 -0.049 0.000 1.109 427 I CA -1.464 59.799 61.300 -0.062 0.000 1.297 427 I CB 0.740 38.669 38.000 -0.118 0.000 1.433 427 I HN 0.310 nan 8.210 nan 0.000 0.509 428 P HA -0.129 nan 4.420 nan 0.000 0.218 428 P C 1.406 178.695 177.300 -0.017 0.000 1.149 428 P CA 1.197 64.284 63.100 -0.022 0.000 0.817 428 P CB -0.018 31.674 31.700 -0.015 0.000 0.785 429 T N -4.141 110.403 114.554 -0.016 0.000 3.081 429 T HA 0.107 4.457 4.350 0.000 0.000 0.255 429 T C 0.727 175.414 174.700 -0.022 0.000 1.113 429 T CA -0.284 61.809 62.100 -0.012 0.000 1.082 429 T CB -0.825 68.042 68.868 -0.002 0.000 0.939 429 T HN -0.146 nan 8.240 nan 0.000 0.506 430 L N 2.036 123.234 121.223 -0.041 0.000 2.559 430 L HA 0.184 4.524 4.340 0.000 0.000 0.282 430 L C 1.032 177.873 176.870 -0.049 0.000 1.232 430 L CA 0.776 55.579 54.840 -0.062 0.000 0.885 430 L CB 0.489 42.491 42.059 -0.095 0.000 1.131 430 L HN 0.132 nan 8.230 nan 0.000 0.498 431 K N 2.587 122.953 120.400 -0.057 0.000 2.403 431 K HA 0.277 4.597 4.320 0.000 0.000 0.199 431 K C -0.672 175.883 176.600 -0.075 0.000 1.199 431 K CA -0.034 56.224 56.287 -0.047 0.000 0.924 431 K CB 0.736 33.223 32.500 -0.022 0.000 1.137 431 K HN 0.354 nan 8.250 nan 0.000 0.510 432 V N 2.711 122.562 119.914 -0.105 0.000 2.487 432 V HA 0.367 4.487 4.120 0.000 0.000 0.298 432 V C -1.474 174.499 176.094 -0.202 0.000 1.028 432 V CA -0.888 61.331 62.300 -0.135 0.000 0.860 432 V CB 1.798 33.569 31.823 -0.086 0.000 0.991 432 V HN 0.082 nan 8.190 nan 0.000 0.427 433 L N 4.473 125.593 121.223 -0.172 0.000 2.446 433 L HA 0.670 5.010 4.340 0.000 0.000 0.268 433 L C -1.063 175.794 176.870 -0.022 0.000 0.975 433 L CA -0.089 54.671 54.840 -0.132 0.000 0.848 433 L CB 1.754 43.764 42.059 -0.082 0.000 1.225 433 L HN 0.648 nan 8.230 nan 0.000 0.410 434 D N 5.071 125.521 120.400 0.083 0.000 2.427 434 D HA 0.321 4.961 4.640 0.000 0.000 0.226 434 D C 0.004 176.402 176.300 0.164 0.000 1.076 434 D CA -0.042 54.133 54.000 0.291 0.000 0.849 434 D CB 0.958 42.024 40.800 0.445 0.000 1.052 434 D HN 0.685 nan 8.370 nan 0.000 0.515 435 L N 2.629 123.930 121.223 0.131 0.000 2.910 435 L HA 0.148 4.488 4.340 0.000 0.000 0.252 435 L C 0.926 177.839 176.870 0.071 0.000 1.195 435 L CA -0.349 54.540 54.840 0.081 0.000 1.003 435 L CB 0.113 42.211 42.059 0.066 0.000 1.328 435 L HN 0.268 nan 8.230 nan 0.000 0.540 436 S N -1.840 113.929 115.700 0.115 0.000 2.593 436 S HA 0.178 4.648 4.470 0.000 0.000 0.269 436 S C 0.242 174.896 174.600 0.091 0.000 1.334 436 S CA -0.196 58.066 58.200 0.103 0.000 1.015 436 S CB 0.326 63.632 63.200 0.176 0.000 0.912 436 S HN 0.508 nan 8.310 nan 0.000 0.541 437 H N 0.150 119.214 119.070 -0.009 0.000 2.750 437 H HA -0.102 4.454 4.556 0.000 0.000 0.327 437 H C 0.003 175.202 175.328 -0.215 0.000 1.199 437 H CA 1.076 57.058 56.048 -0.110 0.000 1.149 437 H CB -1.886 27.751 29.762 -0.208 0.000 1.543 437 H HN 0.645 nan 8.280 nan 0.000 0.427 438 N N -0.785 117.814 118.700 -0.168 0.000 3.512 438 N HA 0.297 5.037 4.740 0.000 0.000 0.360 438 N C 0.203 175.400 175.510 -0.522 0.000 1.593 438 N CA -0.645 52.193 53.050 -0.354 0.000 0.672 438 N CB 0.650 39.041 38.487 -0.160 0.000 2.105 438 N HN 0.413 nan 8.380 nan 0.000 0.645 439 H N -0.142 118.936 119.070 0.013 0.000 2.510 439 H HA 0.415 4.971 4.556 0.000 0.000 0.266 439 H C -0.325 175.007 175.328 0.006 0.000 1.146 439 H CA -0.243 55.809 56.048 0.007 0.000 0.993 439 H CB 0.287 30.053 29.762 0.007 0.000 1.727 439 H HN 0.106 nan 8.280 nan 0.000 0.590 440 L N 1.257 122.516 121.223 0.060 0.000 2.514 440 L HA -0.085 4.255 4.340 0.000 0.000 0.280 440 L C 0.804 177.705 176.870 0.052 0.000 1.223 440 L CA 0.290 55.168 54.840 0.064 0.000 0.864 440 L CB 0.643 42.736 42.059 0.057 0.000 1.118 440 L HN 0.358 nan 8.230 nan 0.000 0.494 441 L N 1.750 123.027 121.223 0.089 0.000 2.775 441 L HA 0.270 4.610 4.340 0.000 0.000 0.175 441 L C 0.353 177.355 176.870 0.220 0.000 1.110 441 L CA 0.291 55.204 54.840 0.121 0.000 0.862 441 L CB 0.351 42.484 42.059 0.123 0.000 1.381 441 L HN 0.536 nan 8.230 nan 0.000 0.499 442 H N 0.837 119.959 119.070 0.085 0.000 2.685 442 H HA 0.458 5.014 4.556 0.000 0.000 0.307 442 H C -0.140 175.231 175.328 0.071 0.000 1.017 442 H CA 0.501 56.585 56.048 0.059 0.000 1.237 442 H CB 1.674 31.338 29.762 -0.162 0.000 1.409 442 H HN 0.197 nan 8.280 nan 0.000 0.488 443 V N 1.487 121.458 119.914 0.096 0.000 3.502 443 V HA 0.120 4.240 4.120 0.000 0.000 0.288 443 V C 1.701 177.864 176.094 0.115 0.000 1.461 443 V CA 0.629 63.040 62.300 0.185 0.000 1.029 443 V CB 0.382 32.387 31.823 0.303 0.000 0.843 443 V HN 0.653 nan 8.190 nan 0.000 0.438 444 E N 1.937 122.117 120.200 -0.034 0.000 2.171 444 E HA -0.277 4.073 4.350 0.000 0.000 0.197 444 E C 2.100 178.649 176.600 -0.085 0.000 0.997 444 E CA 2.006 58.385 56.400 -0.034 0.000 0.810 444 E CB -0.123 29.501 29.700 -0.127 0.000 0.738 444 E HN 0.693 nan 8.360 nan 0.000 0.467 445 R N 0.131 120.565 120.500 -0.109 0.000 2.280 445 R HA 0.042 4.382 4.340 0.000 0.000 0.207 445 R C 1.389 177.422 176.300 -0.444 0.000 1.043 445 R CA 0.636 56.526 56.100 -0.350 0.000 1.006 445 R CB -0.160 29.801 30.300 -0.566 0.000 0.885 445 R HN 0.224 nan 8.270 nan 0.000 0.467 446 N N 1.683 120.210 118.700 -0.288 0.000 2.575 446 N HA -0.147 4.593 4.740 0.000 0.000 0.192 446 N C 1.394 176.488 175.510 -0.694 0.000 1.200 446 N CA 0.405 53.152 53.050 -0.504 0.000 0.897 446 N CB 0.166 38.117 38.487 -0.893 0.000 0.990 446 N HN 0.432 nan 8.380 nan 0.000 0.449 447 Q N 1.522 121.106 119.800 -0.360 0.000 2.133 447 Q HA -0.130 4.210 4.340 0.000 0.000 0.208 447 Q C -0.873 175.043 176.000 -0.140 0.000 0.991 447 Q CA 1.661 57.359 55.803 -0.175 0.000 0.867 447 Q CB -0.420 28.258 28.738 -0.099 0.000 0.911 447 Q HN 0.269 nan 8.270 nan 0.000 0.417 448 P HA -0.144 nan 4.420 nan 0.000 0.221 448 P C 0.800 178.060 177.300 -0.067 0.000 1.150 448 P CA 1.328 64.389 63.100 -0.066 0.000 0.800 448 P CB 0.031 31.700 31.700 -0.052 0.000 0.787 449 Q N -0.733 118.979 119.800 -0.146 0.000 2.123 449 Q HA -0.058 4.282 4.340 0.000 0.000 0.196 449 Q C 1.889 177.911 176.000 0.036 0.000 0.958 449 Q CA 1.348 57.090 55.803 -0.101 0.000 0.841 449 Q CB -0.820 27.818 28.738 -0.168 0.000 0.915 449 Q HN -0.012 nan 8.270 nan 0.000 0.455 450 F N 1.213 121.138 119.950 -0.042 0.000 2.134 450 F HA -0.120 4.407 4.527 0.000 0.000 0.299 450 F C 1.845 177.606 175.800 -0.066 0.000 1.097 450 F CA 1.222 59.181 58.000 -0.069 0.000 1.264 450 F CB -1.043 37.907 39.000 -0.083 0.000 1.001 450 F HN 0.172 nan 8.300 nan 0.000 0.479 451 D N -0.084 120.404 120.400 0.146 0.000 2.239 451 D HA -0.181 4.459 4.640 0.000 0.000 0.202 451 D C 2.166 178.534 176.300 0.112 0.000 0.993 451 D CA 1.115 55.176 54.000 0.102 0.000 0.874 451 D CB -0.232 40.610 40.800 0.070 0.000 0.922 451 D HN 0.266 nan 8.370 nan 0.000 0.464 452 R N -0.771 119.780 120.500 0.086 0.000 2.312 452 R HA 0.218 4.558 4.340 0.000 0.000 0.205 452 R C 0.526 176.849 176.300 0.038 0.000 0.904 452 R CA -0.178 55.957 56.100 0.059 0.000 1.052 452 R CB 0.424 30.744 30.300 0.033 0.000 1.014 452 R HN 0.139 nan 8.270 nan 0.000 0.503 453 L N 0.074 121.321 121.223 0.040 0.000 2.468 453 L HA 0.131 4.471 4.340 0.000 0.000 0.254 453 L C 1.190 178.051 176.870 -0.015 0.000 1.171 453 L CA 0.053 54.891 54.840 -0.004 0.000 0.809 453 L CB 0.737 42.779 42.059 -0.029 0.000 1.155 453 L HN -0.001 nan 8.230 nan 0.000 0.473 454 E N -0.349 119.826 120.200 -0.041 0.000 2.389 454 E HA 0.153 4.503 4.350 0.000 0.000 0.199 454 E C -0.360 176.182 176.600 -0.097 0.000 0.978 454 E CA 0.241 56.616 56.400 -0.041 0.000 0.912 454 E CB 0.547 30.235 29.700 -0.020 0.000 0.907 454 E HN 0.473 nan 8.360 nan 0.000 0.494 455 N N 0.871 119.468 118.700 -0.172 0.000 2.500 455 N HA 0.269 5.009 4.740 0.000 0.000 0.291 455 N C -1.938 173.253 175.510 -0.533 0.000 1.092 455 N CA -0.402 52.445 53.050 -0.338 0.000 0.890 455 N CB 2.484 40.841 38.487 -0.217 0.000 1.466 455 N HN -0.079 nan 8.380 nan 0.000 0.507 456 L N 3.438 124.243 121.223 -0.698 0.000 2.441 456 L HA 0.475 4.815 4.340 0.000 0.000 0.270 456 L C -1.937 174.577 176.870 -0.594 0.000 0.973 456 L CA -0.584 53.907 54.840 -0.582 0.000 0.842 456 L CB 0.757 42.533 42.059 -0.472 0.000 1.239 456 L HN 0.354 nan 8.230 nan 0.000 0.406 457 Y N 6.046 126.298 120.300 -0.080 0.000 2.478 457 Y HA 0.442 4.992 4.550 0.000 0.000 0.329 457 Y C 0.631 176.510 175.900 -0.035 0.000 0.967 457 Y CA -0.734 57.354 58.100 -0.020 0.000 1.255 457 Y CB 1.217 39.703 38.460 0.044 0.000 1.103 457 Y HN 0.515 nan 8.280 nan 0.000 0.497 458 L N 2.382 123.647 121.223 0.070 0.000 2.667 458 L HA 0.103 4.443 4.340 0.000 0.000 0.232 458 L C 0.700 177.611 176.870 0.069 0.000 1.138 458 L CA -0.190 54.675 54.840 0.042 0.000 0.921 458 L CB -0.139 41.927 42.059 0.011 0.000 1.180 458 L HN 0.614 nan 8.230 nan 0.000 0.487 459 D N -0.778 119.691 120.400 0.115 0.000 2.362 459 D HA -0.121 4.519 4.640 0.000 0.000 0.238 459 D C -0.238 176.042 176.300 -0.033 0.000 1.212 459 D CA -0.101 53.937 54.000 0.064 0.000 0.902 459 D CB 0.316 41.198 40.800 0.137 0.000 1.180 459 D HN 0.177 nan 8.370 nan 0.000 0.445 460 H N -0.881 118.094 119.070 -0.159 0.000 2.794 460 H HA -0.128 4.428 4.556 0.000 0.000 0.334 460 H C -0.406 174.792 175.328 -0.217 0.000 1.154 460 H CA 0.927 56.786 56.048 -0.315 0.000 1.129 460 H CB -1.312 27.871 29.762 -0.965 0.000 1.600 460 H HN 0.404 nan 8.280 nan 0.000 0.410 461 N N -1.068 117.575 118.700 -0.095 0.000 3.479 461 N HA 0.412 5.152 4.740 0.000 0.000 0.336 461 N C -0.282 175.170 175.510 -0.096 0.000 1.623 461 N CA -0.469 52.532 53.050 -0.081 0.000 0.759 461 N CB 1.623 40.060 38.487 -0.084 0.000 2.016 461 N HN 0.068 nan 8.380 nan 0.000 0.637 462 S N 0.604 116.252 115.700 -0.086 0.000 2.499 462 S HA 0.440 4.910 4.470 0.000 0.000 0.238 462 S C 0.179 174.658 174.600 -0.201 0.000 1.205 462 S CA -0.383 57.744 58.200 -0.121 0.000 1.203 462 S CB -0.318 62.871 63.200 -0.019 0.000 0.954 462 S HN 0.295 nan 8.310 nan 0.000 0.484 463 I N 1.334 121.679 120.570 -0.375 0.000 2.496 463 I HA 0.104 4.274 4.170 0.000 0.000 0.285 463 I C 1.250 177.011 176.117 -0.592 0.000 1.080 463 I CA -0.114 60.941 61.300 -0.409 0.000 1.404 463 I CB 1.141 38.896 38.000 -0.409 0.000 1.403 463 I HN 0.111 nan 8.210 nan 0.000 0.539 464 V N 3.483 123.257 119.914 -0.234 0.000 2.575 464 V HA 0.002 4.122 4.120 0.000 0.000 0.242 464 V C 0.835 176.949 176.094 0.033 0.000 1.045 464 V CA 1.243 63.418 62.300 -0.207 0.000 1.065 464 V CB -0.114 31.459 31.823 -0.416 0.000 0.717 464 V HN 0.918 nan 8.190 nan 0.000 0.467 465 T N -1.071 113.574 114.554 0.153 0.000 2.903 465 T HA 0.735 5.085 4.350 0.000 0.000 0.299 465 T C -1.343 173.560 174.700 0.338 0.000 1.093 465 T CA -0.588 61.682 62.100 0.283 0.000 1.002 465 T CB 2.560 71.514 68.868 0.144 0.000 1.127 465 T HN 0.098 nan 8.240 nan 0.000 0.488 466 L N 0.210 121.606 121.223 0.289 0.000 2.466 466 L HA 0.834 5.174 4.340 0.000 0.000 0.258 466 L C -1.440 175.456 176.870 0.044 0.000 0.973 466 L CA -0.596 54.359 54.840 0.192 0.000 0.826 466 L CB 2.210 44.412 42.059 0.239 0.000 1.372 466 L HN 0.960 nan 8.230 nan 0.000 0.409 467 K N 4.608 125.032 120.400 0.039 0.000 2.541 467 K HA 0.692 5.012 4.320 0.000 0.000 0.250 467 K C -2.038 174.537 176.600 -0.041 0.000 0.950 467 K CA -0.500 55.775 56.287 -0.020 0.000 0.805 467 K CB 1.295 33.788 32.500 -0.011 0.000 1.166 467 K HN 0.710 nan 8.250 nan 0.000 0.430 468 L N 2.122 123.277 121.223 -0.113 0.000 2.381 468 L HA 0.432 4.772 4.340 0.000 0.000 0.268 468 L C -0.063 176.730 176.870 -0.129 0.000 0.997 468 L CA -0.968 53.781 54.840 -0.151 0.000 0.818 468 L CB 2.239 44.100 42.059 -0.331 0.000 1.310 468 L HN 0.587 nan 8.230 nan 0.000 0.416 469 S N -0.244 115.355 115.700 -0.168 0.000 2.593 469 S HA 0.048 4.518 4.470 0.000 0.000 0.269 469 S C 1.318 175.811 174.600 -0.180 0.000 1.334 469 S CA -0.052 57.971 58.200 -0.294 0.000 1.015 469 S CB 1.418 64.116 63.200 -0.837 0.000 0.912 469 S HN 0.841 nan 8.310 nan 0.000 0.541 470 T N -0.331 114.128 114.554 -0.158 0.000 2.881 470 T HA -0.206 4.144 4.350 0.000 0.000 0.270 470 T C 1.088 175.724 174.700 -0.107 0.000 1.068 470 T CA 1.736 63.791 62.100 -0.074 0.000 1.131 470 T CB -0.701 68.150 68.868 -0.028 0.000 0.871 470 T HN 0.876 nan 8.240 nan 0.000 0.479 471 H N 0.340 119.389 119.070 -0.035 0.000 2.538 471 H HA 0.341 4.897 4.556 0.000 0.000 0.286 471 H C 0.547 175.817 175.328 -0.096 0.000 1.035 471 H CA -0.653 55.347 56.048 -0.079 0.000 1.169 471 H CB -1.330 28.407 29.762 -0.043 0.000 1.417 471 H HN 0.769 nan 8.280 nan 0.000 0.567 472 H N -0.784 118.217 119.070 -0.114 0.000 2.745 472 H HA 0.227 4.783 4.556 0.000 0.000 0.373 472 H C 0.937 176.250 175.328 -0.025 0.000 1.226 472 H CA 0.157 56.164 56.048 -0.068 0.000 1.435 472 H CB 0.861 30.551 29.762 -0.121 0.000 1.461 472 H HN 0.240 nan 8.280 nan 0.000 0.616 473 T N -0.149 114.474 114.554 0.115 0.000 3.129 473 T HA 0.250 4.600 4.350 0.000 0.000 0.267 473 T C 0.373 175.133 174.700 0.100 0.000 1.018 473 T CA -0.592 61.530 62.100 0.036 0.000 0.903 473 T CB -0.380 68.506 68.868 0.030 0.000 1.067 473 T HN 0.379 nan 8.240 nan 0.000 0.549 474 L N 1.968 123.364 121.223 0.289 0.000 2.453 474 L HA 0.305 4.645 4.340 0.000 0.000 0.272 474 L C 1.394 178.302 176.870 0.064 0.000 1.182 474 L CA -0.268 54.634 54.840 0.103 0.000 0.858 474 L CB 0.667 42.716 42.059 -0.016 0.000 1.120 474 L HN 0.093 nan 8.230 nan 0.000 0.474 475 K N 1.059 121.461 120.400 0.003 0.000 2.391 475 K HA 0.246 4.566 4.320 0.000 0.000 0.197 475 K C -0.051 176.545 176.600 -0.006 0.000 1.087 475 K CA 0.141 56.431 56.287 0.005 0.000 1.012 475 K CB 0.579 33.084 32.500 0.008 0.000 0.925 475 K HN 0.460 nan 8.250 nan 0.000 0.547 476 N N 1.033 119.705 118.700 -0.045 0.000 2.430 476 N HA 0.283 5.023 4.740 0.000 0.000 0.290 476 N C -1.927 173.491 175.510 -0.153 0.000 1.063 476 N CA -0.413 52.608 53.050 -0.050 0.000 0.883 476 N CB 1.873 40.358 38.487 -0.003 0.000 1.465 476 N HN -0.064 nan 8.380 nan 0.000 0.493 477 L N 2.562 123.729 121.223 -0.093 0.000 2.470 477 L HA 0.539 4.879 4.340 0.000 0.000 0.268 477 L C -0.574 176.291 176.870 -0.009 0.000 0.964 477 L CA -0.359 54.394 54.840 -0.146 0.000 0.839 477 L CB 1.754 43.694 42.059 -0.199 0.000 1.276 477 L HN 0.539 nan 8.230 nan 0.000 0.403 478 T N 2.452 117.044 114.554 0.064 0.000 2.823 478 T HA 0.658 5.008 4.350 0.000 0.000 0.279 478 T C 0.387 175.173 174.700 0.142 0.000 0.998 478 T CA -0.593 61.603 62.100 0.160 0.000 0.994 478 T CB 1.352 70.389 68.868 0.281 0.000 0.960 478 T HN 0.592 nan 8.240 nan 0.000 0.448 479 L N 1.454 122.782 121.223 0.175 0.000 3.327 479 L HA 0.243 4.584 4.340 0.000 0.000 0.299 479 L C 1.297 178.388 176.870 0.368 0.000 1.201 479 L CA -0.412 54.608 54.840 0.301 0.000 1.059 479 L CB 0.449 42.625 42.059 0.195 0.000 1.488 479 L HN 0.854 nan 8.230 nan 0.000 0.609 480 S N -1.385 114.434 115.700 0.197 0.000 2.624 480 S HA 0.188 4.658 4.470 0.000 0.000 0.263 480 S C 0.217 174.812 174.600 -0.007 0.000 1.287 480 S CA 0.022 58.279 58.200 0.094 0.000 0.990 480 S CB 0.285 63.502 63.200 0.028 0.000 0.950 480 S HN 0.455 nan 8.310 nan 0.000 0.561 481 H N 0.086 119.057 119.070 -0.166 0.000 2.672 481 H HA -0.103 4.453 4.556 0.000 0.000 0.325 481 H C 0.146 175.316 175.328 -0.263 0.000 1.158 481 H CA 1.076 56.946 56.048 -0.297 0.000 1.134 481 H CB -1.982 27.335 29.762 -0.742 0.000 1.553 481 H HN 0.617 nan 8.280 nan 0.000 0.419 482 N N -0.243 118.339 118.700 -0.196 0.000 3.492 482 N HA 0.254 4.994 4.740 0.000 0.000 0.352 482 N C -0.444 174.849 175.510 -0.361 0.000 1.517 482 N CA -0.453 52.356 53.050 -0.401 0.000 0.629 482 N CB 0.926 38.896 38.487 -0.861 0.000 2.162 482 N HN 0.237 nan 8.380 nan 0.000 0.598 483 D N 0.013 120.111 120.400 -0.502 0.000 2.849 483 D HA 0.251 4.891 4.640 0.000 0.000 0.314 483 D C -1.281 174.943 176.300 -0.126 0.000 1.210 483 D CA -0.395 53.499 54.000 -0.178 0.000 0.756 483 D CB -0.206 40.532 40.800 -0.102 0.000 1.222 483 D HN 0.260 nan 8.370 nan 0.000 0.521 484 W N 0.882 122.240 121.300 0.096 0.000 2.170 484 W HA 0.218 4.878 4.660 0.000 0.000 0.336 484 W C 0.873 177.381 176.519 -0.019 0.000 1.283 484 W CA -0.672 56.691 57.345 0.030 0.000 1.224 484 W CB 0.494 29.977 29.460 0.038 0.000 1.132 484 W HN 0.178 nan 8.180 nan 0.000 0.571 485 D N 1.654 122.195 120.400 0.235 0.000 2.312 485 D HA 0.113 4.753 4.640 0.000 0.000 0.252 485 D C 0.607 176.959 176.300 0.087 0.000 1.150 485 D CA -0.316 53.724 54.000 0.068 0.000 0.870 485 D CB 0.888 41.682 40.800 -0.009 0.000 1.153 485 D HN 0.395 nan 8.370 nan 0.000 0.457 486 c N 3.517 122.132 118.600 0.025 0.000 2.413 486 c HA -0.141 4.429 4.570 0.000 0.000 0.276 486 c C 2.292 176.390 174.090 0.013 0.000 1.248 486 c CA 0.203 56.539 56.329 0.012 0.000 1.742 486 c CB -1.051 41.445 42.510 -0.024 0.000 2.017 486 c HN 0.733 nan 8.230 nan 0.000 0.481 487 N N 0.758 119.460 118.700 0.004 0.000 2.104 487 N HA -0.130 4.610 4.740 0.000 0.000 0.190 487 N C 1.964 177.484 175.510 0.016 0.000 1.024 487 N CA 1.702 54.757 53.050 0.008 0.000 0.853 487 N CB -0.586 37.903 38.487 0.003 0.000 1.008 487 N HN 0.542 nan 8.380 nan 0.000 0.424 488 S N 0.434 116.150 115.700 0.026 0.000 2.387 488 S HA 0.098 4.568 4.470 0.000 0.000 0.226 488 S C 2.015 176.606 174.600 -0.015 0.000 1.026 488 S CA 0.299 58.515 58.200 0.025 0.000 0.972 488 S CB -0.076 63.171 63.200 0.077 0.000 0.814 488 S HN 0.206 nan 8.310 nan 0.000 0.477 489 L N 0.692 121.903 121.223 -0.019 0.000 2.056 489 L HA -0.025 4.315 4.340 0.000 0.000 0.207 489 L C 2.887 179.787 176.870 0.051 0.000 1.078 489 L CA 1.167 55.971 54.840 -0.060 0.000 0.749 489 L CB -0.333 41.672 42.059 -0.089 0.000 0.901 489 L HN 0.287 nan 8.230 nan 0.000 0.433 490 R N -0.369 120.172 120.500 0.068 0.000 2.073 490 R HA -0.157 4.183 4.340 0.000 0.000 0.234 490 R C 2.368 178.693 176.300 0.041 0.000 1.134 490 R CA 1.445 57.611 56.100 0.109 0.000 0.952 490 R CB -0.531 29.823 30.300 0.090 0.000 0.850 490 R HN 0.343 nan 8.270 nan 0.000 0.433 491 A N 1.239 124.064 122.820 0.008 0.000 1.933 491 A HA -0.157 4.163 4.320 0.000 0.000 0.218 491 A C 2.096 179.641 177.584 -0.066 0.000 1.175 491 A CA 1.057 53.082 52.037 -0.019 0.000 0.628 491 A CB -0.477 18.513 19.000 -0.017 0.000 0.814 491 A HN 0.246 nan 8.150 nan 0.000 0.444 492 L N -1.364 119.798 121.223 -0.102 0.000 2.012 492 L HA -0.078 4.262 4.340 0.000 0.000 0.210 492 L C 1.895 178.571 176.870 -0.324 0.000 1.073 492 L CA 1.913 56.619 54.840 -0.224 0.000 0.748 492 L CB -0.735 41.145 42.059 -0.299 0.000 0.891 492 L HN 0.348 nan 8.230 nan 0.000 0.431 493 F N -0.371 119.368 119.950 -0.352 0.000 2.805 493 F HA 0.005 4.532 4.527 0.000 0.000 0.301 493 F C 2.178 177.811 175.800 -0.278 0.000 1.196 493 F CA 0.415 58.142 58.000 -0.455 0.000 1.439 493 F CB -0.304 38.058 39.000 -1.063 0.000 1.117 493 F HN 0.055 nan 8.300 nan 0.000 0.581 494 R N -0.475 119.977 120.500 -0.080 0.000 2.200 494 R HA -0.002 4.338 4.340 0.000 0.000 0.208 494 R C 1.141 177.409 176.300 -0.055 0.000 1.033 494 R CA 0.790 56.864 56.100 -0.042 0.000 1.000 494 R CB -0.057 30.227 30.300 -0.027 0.000 0.906 494 R HN 0.183 nan 8.270 nan 0.000 0.462 495 N N -0.813 117.830 118.700 -0.096 0.000 2.210 495 N HA 0.049 4.789 4.740 0.000 0.000 0.203 495 N C -0.538 174.992 175.510 0.034 0.000 1.175 495 N CA 0.202 53.232 53.050 -0.033 0.000 0.894 495 N CB 1.548 40.023 38.487 -0.019 0.000 1.041 495 N HN -0.066 nan 8.380 nan 0.000 0.506 496 V N -0.112 119.704 119.914 -0.164 0.000 2.925 496 V HA 0.890 5.010 4.120 0.000 0.000 0.311 496 V C -1.552 174.369 176.094 -0.290 0.000 1.104 496 V CA -0.666 61.530 62.300 -0.174 0.000 0.954 496 V CB 1.809 33.375 31.823 -0.428 0.000 1.022 496 V HN 0.135 nan 8.190 nan 0.000 0.427 497 A N 5.615 128.364 122.820 -0.118 0.000 2.530 497 A HA 0.866 5.186 4.320 0.000 0.000 0.288 497 A C -0.477 177.157 177.584 0.083 0.000 1.172 497 A CA -1.053 51.010 52.037 0.043 0.000 0.733 497 A CB 1.547 20.595 19.000 0.081 0.000 1.320 497 A HN 0.891 nan 8.150 nan 0.000 0.419 498 R N 0.400 121.011 120.500 0.184 0.000 2.641 498 R HA 0.320 4.660 4.340 0.000 0.000 0.269 498 R C -1.599 174.744 176.300 0.072 0.000 1.074 498 R CA -1.071 55.102 56.100 0.121 0.000 1.133 498 R CB 0.332 30.707 30.300 0.126 0.000 1.029 498 R HN 0.534 nan 8.270 nan 0.000 0.488 499 P HA 0.090 nan 4.420 nan 0.000 0.257 499 P C 0.313 177.640 177.300 0.044 0.000 1.325 499 P CA 0.290 63.421 63.100 0.052 0.000 0.850 499 P CB 0.417 32.143 31.700 0.043 0.000 1.324 500 A N 0.341 123.178 122.820 0.028 0.000 1.898 500 A HA -0.009 4.311 4.320 0.000 0.000 0.216 500 A C 1.217 178.798 177.584 -0.005 0.000 1.181 500 A CA 0.818 52.859 52.037 0.006 0.000 0.620 500 A CB -0.985 18.011 19.000 -0.008 0.000 0.819 500 A HN 0.125 nan 8.150 nan 0.000 0.442 501 V N 1.520 121.432 119.914 -0.002 0.000 2.470 501 V HA 0.085 4.205 4.120 0.000 0.000 0.276 501 V C 0.737 176.879 176.094 0.080 0.000 1.040 501 V CA 0.737 63.054 62.300 0.029 0.000 1.008 501 V CB 1.048 32.927 31.823 0.094 0.000 0.990 501 V HN 0.556 nan 8.190 nan 0.000 0.477 502 D N 2.195 122.647 120.400 0.087 0.000 2.379 502 D HA 0.067 4.707 4.640 0.000 0.000 0.208 502 D C 0.390 176.752 176.300 0.104 0.000 1.065 502 D CA 0.238 54.297 54.000 0.099 0.000 0.848 502 D CB 0.461 41.338 40.800 0.128 0.000 0.949 502 D HN 0.818 nan 8.370 nan 0.000 0.509 503 D N -0.586 119.878 120.400 0.108 0.000 2.798 503 D HA 0.673 5.313 4.640 0.000 0.000 0.308 503 D C -1.016 175.332 176.300 0.079 0.000 1.187 503 D CA -1.069 52.992 54.000 0.102 0.000 1.033 503 D CB 1.054 41.932 40.800 0.130 0.000 1.445 503 D HN -0.053 nan 8.370 nan 0.000 0.550 504 A N -0.440 122.412 122.820 0.053 0.000 2.590 504 A HA 0.472 4.792 4.320 0.000 0.000 0.294 504 A C -1.797 175.754 177.584 -0.056 0.000 1.046 504 A CA -0.858 51.180 52.037 0.002 0.000 0.684 504 A CB 1.143 20.135 19.000 -0.013 0.000 1.279 504 A HN 0.440 nan 8.150 nan 0.000 0.415 505 D N 0.387 120.731 120.400 -0.095 0.000 2.340 505 D HA 0.466 5.106 4.640 0.000 0.000 0.251 505 D C 0.300 176.493 176.300 -0.179 0.000 1.080 505 D CA -0.221 53.678 54.000 -0.169 0.000 0.971 505 D CB 1.223 41.935 40.800 -0.147 0.000 1.137 505 D HN 0.463 nan 8.370 nan 0.000 0.475 506 Q N 0.195 119.841 119.800 -0.256 0.000 2.581 506 Q HA 0.111 4.451 4.340 0.000 0.000 0.222 506 Q C 0.018 175.632 176.000 -0.644 0.000 0.904 506 Q CA 0.838 56.356 55.803 -0.475 0.000 0.923 506 Q CB 0.314 28.712 28.738 -0.566 0.000 1.117 506 Q HN 0.516 nan 8.270 nan 0.000 0.618 507 H N -1.431 117.615 119.070 -0.040 0.000 2.851 507 H HA 0.580 5.136 4.556 0.000 0.000 0.372 507 H C -1.022 174.280 175.328 -0.044 0.000 1.158 507 H CA -0.808 55.223 56.048 -0.029 0.000 1.159 507 H CB 1.727 31.479 29.762 -0.017 0.000 1.757 507 H HN 0.029 nan 8.280 nan 0.000 0.546 508 c N 1.663 120.323 118.600 0.099 0.000 2.614 508 c HA 0.400 4.970 4.570 0.000 0.000 0.320 508 c C 0.305 174.400 174.090 0.008 0.000 1.200 508 c CA -1.120 55.227 56.329 0.029 0.000 1.700 508 c CB 1.499 44.060 42.510 0.086 0.000 2.275 508 c HN 0.800 nan 8.230 nan 0.000 0.492 509 K N 0.523 120.857 120.400 -0.109 0.000 2.159 509 K HA 0.083 4.403 4.320 0.000 0.000 0.242 509 K C 1.126 177.760 176.600 0.056 0.000 1.043 509 K CA -0.341 55.891 56.287 -0.092 0.000 0.856 509 K CB 0.224 32.560 32.500 -0.272 0.000 1.072 509 K HN 0.569 nan 8.250 nan 0.000 0.514 510 I N 1.074 121.690 120.570 0.078 0.000 2.361 510 I HA -0.222 3.948 4.170 0.000 0.000 0.251 510 I C 0.734 176.935 176.117 0.141 0.000 1.133 510 I CA 1.870 63.227 61.300 0.096 0.000 1.413 510 I CB -0.028 38.008 38.000 0.060 0.000 1.073 510 I HN 0.468 nan 8.210 nan 0.000 0.424 511 D N -0.965 119.586 120.400 0.252 0.000 2.463 511 D HA 0.148 4.788 4.640 0.000 0.000 0.224 511 D C -0.704 175.659 176.300 0.105 0.000 1.174 511 D CA 0.183 54.276 54.000 0.156 0.000 0.829 511 D CB 0.140 41.004 40.800 0.106 0.000 0.993 511 D HN 0.255 nan 8.370 nan 0.000 0.497 512 Y N 0.705 121.010 120.300 0.008 0.000 2.576 512 Y HA 0.324 4.874 4.550 0.000 0.000 0.346 512 Y C 0.275 176.178 175.900 0.005 0.000 1.018 512 Y CA -1.046 57.061 58.100 0.011 0.000 1.050 512 Y CB 1.955 40.425 38.460 0.017 0.000 1.280 512 Y HN -0.215 nan 8.280 nan 0.000 0.474 513 Q N 1.771 121.659 119.800 0.146 0.000 2.482 513 Q HA 0.426 4.766 4.340 0.000 0.000 0.286 513 Q C -2.107 173.916 176.000 0.038 0.000 1.007 513 Q CA -0.985 54.859 55.803 0.067 0.000 0.801 513 Q CB 1.931 30.681 28.738 0.019 0.000 1.455 513 Q HN 0.788 nan 8.270 nan 0.000 0.398 514 L N 1.727 122.947 121.223 -0.006 0.000 2.410 514 L HA 0.299 4.639 4.340 0.000 0.000 0.273 514 L C 0.371 177.179 176.870 -0.102 0.000 1.144 514 L CA 0.073 54.884 54.840 -0.048 0.000 0.863 514 L CB 0.205 42.217 42.059 -0.078 0.000 1.140 514 L HN 0.484 nan 8.230 nan 0.000 0.463 515 E N 2.752 122.878 120.200 -0.124 0.000 2.195 515 E HA 0.204 4.554 4.350 0.000 0.000 0.271 515 E C -0.103 176.304 176.600 -0.322 0.000 0.923 515 E CA -0.778 55.480 56.400 -0.237 0.000 0.790 515 E CB 1.273 30.884 29.700 -0.147 0.000 1.155 515 E HN 0.516 nan 8.360 nan 0.000 0.402 516 H N 1.277 120.103 119.070 -0.407 0.000 2.580 516 H HA -0.251 4.305 4.556 0.000 0.000 0.316 516 H C 0.962 175.972 175.328 -0.529 0.000 1.073 516 H CA 1.133 56.793 56.048 -0.647 0.000 1.135 516 H CB -1.234 27.652 29.762 -1.459 0.000 1.437 516 H HN 0.981 nan 8.280 nan 0.000 0.404 517 G N -0.848 107.808 108.800 -0.241 0.000 2.136 517 G HA2 -0.256 3.704 3.960 0.000 0.000 0.242 517 G HA3 -0.256 3.704 3.960 0.000 0.000 0.242 517 G C -0.006 174.826 174.900 -0.113 0.000 0.989 517 G CA 0.315 45.322 45.100 -0.154 0.000 0.682 517 G HN 0.484 nan 8.290 nan 0.000 0.522 518 L N -0.812 120.347 121.223 -0.107 0.000 2.445 518 L HA 0.528 4.868 4.340 0.000 0.000 0.262 518 L C 0.657 177.561 176.870 0.056 0.000 0.974 518 L CA -1.303 53.529 54.840 -0.013 0.000 0.822 518 L CB 1.868 43.923 42.059 -0.006 0.000 1.339 518 L HN 0.102 nan 8.230 nan 0.000 0.409 519 c N 1.800 120.471 118.600 0.120 0.000 2.642 519 c HA 0.446 5.016 4.570 0.000 0.000 0.420 519 c C 0.632 174.922 174.090 0.333 0.000 1.349 519 c CA -0.669 55.769 56.329 0.180 0.000 1.821 519 c CB -1.013 41.565 42.510 0.113 0.000 2.637 519 c HN 0.942 nan 8.230 nan 0.000 0.605 520 c N 3.761 122.542 118.600 0.302 0.000 3.082 520 c HA 0.786 5.356 4.570 0.000 0.000 0.324 520 c C -0.891 173.162 174.090 -0.061 0.000 1.210 520 c CA -1.063 55.407 56.329 0.234 0.000 1.366 520 c CB 1.024 43.625 42.510 0.151 0.000 1.756 520 c HN 1.000 nan 8.230 nan 0.000 0.485 521 K N 1.887 122.040 120.400 -0.410 0.000 2.182 521 K HA 0.492 4.812 4.320 0.000 0.000 0.262 521 K C -0.206 176.227 176.600 -0.279 0.000 0.957 521 K CA -0.012 55.900 56.287 -0.627 0.000 0.842 521 K CB 1.050 32.851 32.500 -1.164 0.000 1.099 521 K HN 0.814 nan 8.250 nan 0.000 0.438 522 E N 1.630 121.712 120.200 -0.196 0.000 2.316 522 E HA 0.099 4.449 4.350 0.000 0.000 0.275 522 E C -0.783 175.751 176.600 -0.111 0.000 1.029 522 E CA -0.002 56.329 56.400 -0.114 0.000 0.871 522 E CB 1.544 31.195 29.700 -0.081 0.000 1.022 522 E HN 0.608 nan 8.360 nan 0.000 0.418 523 S N 2.076 117.728 115.700 -0.081 0.000 2.556 523 S HA 0.145 4.615 4.470 0.000 0.000 0.280 523 S C -0.320 174.256 174.600 -0.040 0.000 1.141 523 S CA -0.698 57.463 58.200 -0.065 0.000 0.883 523 S CB 1.144 64.294 63.200 -0.083 0.000 1.103 523 S HN 0.265 nan 8.310 nan 0.000 0.453 524 D N 2.214 122.600 120.400 -0.023 0.000 2.234 524 D HA 0.131 4.771 4.640 0.000 0.000 0.205 524 D C -0.005 176.297 176.300 0.003 0.000 0.962 524 D CA 1.037 55.033 54.000 -0.007 0.000 0.855 524 D CB 0.214 41.014 40.800 -0.001 0.000 0.951 524 D HN 0.547 nan 8.370 nan 0.000 0.500 525 K N 0.555 120.956 120.400 0.001 0.000 2.752 525 K HA 0.205 4.525 4.320 0.000 0.000 0.199 525 K C -2.184 174.417 176.600 0.002 0.000 1.069 525 K CA -1.297 55.004 56.287 0.025 0.000 1.033 525 K CB 2.559 35.084 32.500 0.041 0.000 1.229 525 K HN -0.164 nan 8.250 nan 0.000 0.572 526 P HA -0.173 nan 4.420 nan 0.000 0.215 526 P C 0.862 178.055 177.300 -0.178 0.000 1.157 526 P CA 1.212 64.210 63.100 -0.169 0.000 0.863 526 P CB 0.034 31.555 31.700 -0.298 0.000 0.787 527 Y N -0.574 119.758 120.300 0.054 0.000 2.207 527 Y HA -0.131 4.419 4.550 0.000 0.000 0.287 527 Y C 2.441 178.368 175.900 0.045 0.000 1.156 527 Y CA 0.824 58.961 58.100 0.061 0.000 1.182 527 Y CB -1.492 37.023 38.460 0.091 0.000 0.979 527 Y HN -0.115 nan 8.280 nan 0.000 0.521 528 L N 0.406 121.721 121.223 0.154 0.000 2.056 528 L HA -0.171 4.169 4.340 0.000 0.000 0.207 528 L C 1.860 178.775 176.870 0.075 0.000 1.078 528 L CA 2.113 57.014 54.840 0.102 0.000 0.749 528 L CB -0.860 41.244 42.059 0.074 0.000 0.901 528 L HN 0.190 nan 8.230 nan 0.000 0.433 529 D N -1.161 119.267 120.400 0.047 0.000 2.149 529 D HA -0.203 4.437 4.640 0.000 0.000 0.198 529 D C 2.040 178.373 176.300 0.055 0.000 0.990 529 D CA 1.059 55.078 54.000 0.032 0.000 0.839 529 D CB 0.109 40.904 40.800 -0.008 0.000 0.948 529 D HN 0.147 nan 8.370 nan 0.000 0.460 530 R N -0.167 120.370 120.500 0.062 0.000 2.119 530 R HA 0.016 4.356 4.340 0.000 0.000 0.222 530 R C 2.243 178.618 176.300 0.126 0.000 1.088 530 R CA 0.320 56.474 56.100 0.090 0.000 0.984 530 R CB -1.183 29.162 30.300 0.075 0.000 0.884 530 R HN 0.326 nan 8.270 nan 0.000 0.447 531 L N 0.895 122.188 121.223 0.117 0.000 2.093 531 L HA -0.059 4.281 4.340 0.000 0.000 0.208 531 L C 1.957 178.908 176.870 0.135 0.000 1.085 531 L CA 1.548 56.457 54.840 0.115 0.000 0.755 531 L CB -0.408 41.705 42.059 0.090 0.000 0.904 531 L HN 0.042 nan 8.230 nan 0.000 0.435 532 L N -1.115 120.170 121.223 0.103 0.000 2.027 532 L HA -0.187 4.153 4.340 0.000 0.000 0.206 532 L C 2.672 179.599 176.870 0.096 0.000 1.074 532 L CA 1.285 56.177 54.840 0.087 0.000 0.745 532 L CB -0.779 41.316 42.059 0.060 0.000 0.898 532 L HN 0.345 nan 8.230 nan 0.000 0.433 533 Q N -0.742 119.121 119.800 0.103 0.000 2.077 533 Q HA -0.292 4.048 4.340 0.000 0.000 0.206 533 Q C 2.168 178.231 176.000 0.105 0.000 0.989 533 Q CA 2.360 58.222 55.803 0.098 0.000 0.853 533 Q CB -0.330 28.478 28.738 0.117 0.000 0.907 533 Q HN 0.478 nan 8.270 nan 0.000 0.418 534 Y N 0.695 121.013 120.300 0.030 0.000 2.133 534 Y HA -0.197 4.353 4.550 0.000 0.000 0.287 534 Y C 1.961 177.871 175.900 0.016 0.000 1.134 534 Y CA 1.431 59.544 58.100 0.022 0.000 1.133 534 Y CB -0.157 38.318 38.460 0.025 0.000 0.987 534 Y HN 0.009 nan 8.280 nan 0.000 0.502 535 I N 0.173 120.840 120.570 0.162 0.000 2.179 535 I HA -0.358 3.812 4.170 0.000 0.000 0.242 535 I C 2.670 178.774 176.117 -0.021 0.000 1.088 535 I CA 1.276 62.619 61.300 0.072 0.000 1.357 535 I CB -0.764 37.297 38.000 0.102 0.000 1.051 535 I HN 0.361 nan 8.210 nan 0.000 0.409 536 A N 0.873 123.690 122.820 -0.006 0.000 1.948 536 A HA -0.205 4.115 4.320 0.000 0.000 0.220 536 A C 2.286 179.832 177.584 -0.065 0.000 1.177 536 A CA 1.575 53.598 52.037 -0.023 0.000 0.636 536 A CB -0.831 18.168 19.000 -0.001 0.000 0.815 536 A HN 0.425 nan 8.150 nan 0.000 0.449 537 L N -0.423 120.729 121.223 -0.118 0.000 2.109 537 L HA -0.127 4.213 4.340 0.000 0.000 0.207 537 L C 2.961 179.717 176.870 -0.189 0.000 1.086 537 L CA 1.931 56.676 54.840 -0.158 0.000 0.760 537 L CB -1.177 40.756 42.059 -0.210 0.000 0.910 537 L HN 0.691 nan 8.230 nan 0.000 0.437 538 T N -3.654 110.747 114.554 -0.255 0.000 2.985 538 T HA -0.098 4.252 4.350 0.000 0.000 0.266 538 T C 1.993 176.634 174.700 -0.099 0.000 1.076 538 T CA 0.963 62.944 62.100 -0.198 0.000 1.135 538 T CB -0.251 68.484 68.868 -0.221 0.000 0.890 538 T HN 0.368 nan 8.240 nan 0.000 0.480 539 S N 0.868 116.524 115.700 -0.072 0.000 2.481 539 S HA 0.024 4.494 4.470 0.000 0.000 0.231 539 S C 1.921 176.499 174.600 -0.037 0.000 0.996 539 S CA 0.465 58.642 58.200 -0.039 0.000 0.942 539 S CB -0.819 62.368 63.200 -0.021 0.000 0.768 539 S HN 0.345 nan 8.310 nan 0.000 0.520 540 V N 1.419 121.305 119.914 -0.046 0.000 2.490 540 V HA -0.096 4.024 4.120 0.000 0.000 0.250 540 V C 2.498 178.569 176.094 -0.037 0.000 1.061 540 V CA 1.572 63.849 62.300 -0.038 0.000 1.064 540 V CB -0.543 31.255 31.823 -0.042 0.000 0.670 540 V HN 0.518 nan 8.190 nan 0.000 0.461 541 V N -0.698 119.188 119.914 -0.045 0.000 2.878 541 V HA -0.077 4.043 4.120 0.000 0.000 0.250 541 V C 2.209 178.284 176.094 -0.033 0.000 1.075 541 V CA 1.234 63.509 62.300 -0.041 0.000 1.096 541 V CB -0.261 31.532 31.823 -0.049 0.000 0.724 541 V HN 0.583 nan 8.190 nan 0.000 0.467 542 E N -0.012 120.170 120.200 -0.030 0.000 2.230 542 E HA -0.065 4.285 4.350 0.000 0.000 0.192 542 E C 1.690 178.280 176.600 -0.018 0.000 0.987 542 E CA 0.267 56.654 56.400 -0.021 0.000 0.841 542 E CB 0.009 29.699 29.700 -0.016 0.000 0.783 542 E HN 0.507 nan 8.360 nan 0.000 0.481 543 K N 0.820 121.209 120.400 -0.018 0.000 2.633 543 K HA 0.000 4.320 4.320 0.000 0.000 0.193 543 K C 0.151 176.741 176.600 -0.016 0.000 1.033 543 K CA 0.342 56.619 56.287 -0.015 0.000 0.980 543 K CB 0.283 32.774 32.500 -0.015 0.000 0.800 543 K HN -0.058 nan 8.250 nan 0.000 0.493 582 E N 1.379 121.579 120.200 0.001 0.000 2.296 582 E HA 0.492 4.842 4.350 0.000 0.000 0.196 582 E C 1.174 177.775 176.600 0.001 0.000 1.143 582 E CA 0.294 56.694 56.400 0.001 0.000 1.145 582 E CB 0.832 30.532 29.700 0.001 0.000 1.215 582 E HN 0.723 nan 8.360 nan 0.000 0.447 583 A N 1.098 123.919 122.820 0.001 0.000 2.067 583 A HA -0.095 4.225 4.320 0.000 0.000 0.217 583 A C 1.910 179.494 177.584 0.001 0.000 1.156 583 A CA 0.630 52.667 52.037 0.001 0.000 0.683 583 A CB -0.145 18.855 19.000 0.001 0.000 0.808 583 A HN 0.296 nan 8.150 nan 0.000 0.455 584 E N -0.510 119.690 120.200 0.001 0.000 2.150 584 E HA -0.080 4.270 4.350 0.000 0.000 0.193 584 E C 1.692 178.292 176.600 0.001 0.000 0.985 584 E CA 0.986 57.387 56.400 0.001 0.000 0.814 584 E CB -0.043 29.658 29.700 0.001 0.000 0.752 584 E HN 0.375 nan 8.360 nan 0.000 0.466 585 V N 1.121 121.036 119.914 0.001 0.000 2.719 585 V HA -0.168 3.953 4.120 0.000 0.000 0.252 585 V C 1.363 177.458 176.094 0.001 0.000 1.065 585 V CA 1.522 63.822 62.300 0.001 0.000 1.086 585 V CB -0.314 31.510 31.823 0.001 0.000 0.700 585 V HN 0.253 nan 8.190 nan 0.000 0.467 586 N N -0.352 118.349 118.700 0.001 0.000 2.376 586 N HA -0.116 4.624 4.740 0.000 0.000 0.177 586 N C 1.888 177.399 175.510 0.001 0.000 1.024 586 N CA 0.774 53.825 53.050 0.001 0.000 0.893 586 N CB 0.070 38.557 38.487 0.001 0.000 0.980 586 N HN 0.547 nan 8.380 nan 0.000 0.439 587 E N 1.147 121.347 120.200 0.001 0.000 2.072 587 E HA -0.113 4.237 4.350 0.000 0.000 0.190 587 E C 1.761 178.361 176.600 0.001 0.000 0.982 587 E CA 0.660 57.061 56.400 0.001 0.000 0.803 587 E CB 0.066 29.767 29.700 0.001 0.000 0.755 587 E HN 0.312 nan 8.360 nan 0.000 0.453 588 L N 0.525 121.748 121.223 0.001 0.000 2.017 588 L HA -0.142 4.198 4.340 0.000 0.000 0.208 588 L C 2.864 179.735 176.870 0.001 0.000 1.073 588 L CA 1.204 56.045 54.840 0.001 0.000 0.745 588 L CB -0.334 41.726 42.059 0.001 0.000 0.894 588 L HN 0.079 nan 8.230 nan 0.000 0.432 589 R N -0.318 120.183 120.500 0.001 0.000 2.127 589 R HA -0.174 4.166 4.340 0.000 0.000 0.238 589 R C 2.296 178.597 176.300 0.001 0.000 1.134 589 R CA 1.274 57.375 56.100 0.001 0.000 0.975 589 R CB -0.426 29.875 30.300 0.001 0.000 0.865 589 R HN 0.399 nan 8.270 nan 0.000 0.447 590 A N 1.169 123.990 122.820 0.002 0.000 1.872 590 A HA -0.152 4.168 4.320 0.000 0.000 0.214 590 A C 1.894 179.479 177.584 0.002 0.000 1.187 590 A CA 1.057 53.095 52.037 0.002 0.000 0.614 590 A CB -0.294 18.707 19.000 0.002 0.000 0.826 590 A HN 0.264 nan 8.150 nan 0.000 0.442 591 E N -0.398 119.804 120.200 0.002 0.000 2.085 591 E HA -0.155 4.195 4.350 0.000 0.000 0.194 591 E C 1.924 178.525 176.600 0.002 0.000 0.994 591 E CA 1.431 57.832 56.400 0.002 0.000 0.801 591 E CB -0.243 29.459 29.700 0.002 0.000 0.743 591 E HN 0.362 nan 8.360 nan 0.000 0.453 592 V N 1.071 120.986 119.914 0.002 0.000 2.548 592 V HA -0.205 3.915 4.120 0.000 0.000 0.249 592 V C 2.289 178.384 176.094 0.002 0.000 1.055 592 V CA 1.365 63.666 62.300 0.002 0.000 1.065 592 V CB -0.244 31.580 31.823 0.001 0.000 0.681 592 V HN 0.245 nan 8.190 nan 0.000 0.462 593 Q N -0.479 119.322 119.800 0.002 0.000 2.123 593 Q HA -0.187 4.153 4.340 0.000 0.000 0.199 593 Q C 2.261 178.262 176.000 0.003 0.000 0.966 593 Q CA 1.477 57.281 55.803 0.002 0.000 0.845 593 Q CB -0.155 28.585 28.738 0.002 0.000 0.907 593 Q HN 0.670 nan 8.270 nan 0.000 0.439 594 Q N 0.488 120.290 119.800 0.003 0.000 2.123 594 Q HA -0.030 4.310 4.340 0.000 0.000 0.199 594 Q C 1.945 177.947 176.000 0.004 0.000 0.966 594 Q CA 1.120 56.925 55.803 0.003 0.000 0.845 594 Q CB -0.221 28.519 28.738 0.003 0.000 0.907 594 Q HN 0.343 nan 8.270 nan 0.000 0.439 595 L N -0.540 120.685 121.223 0.004 0.000 2.072 595 L HA -0.116 4.224 4.340 0.000 0.000 0.205 595 L C 2.180 179.052 176.870 0.004 0.000 1.079 595 L CA 1.567 56.409 54.840 0.004 0.000 0.752 595 L CB -0.590 41.471 42.059 0.003 0.000 0.906 595 L HN 0.226 nan 8.230 nan 0.000 0.436 596 T N -0.300 114.256 114.554 0.003 0.000 2.803 596 T HA -0.140 4.210 4.350 0.000 0.000 0.269 596 T C 1.638 176.340 174.700 0.004 0.000 1.052 596 T CA 1.242 63.343 62.100 0.003 0.000 1.136 596 T CB -0.189 68.681 68.868 0.002 0.000 0.864 596 T HN 0.299 nan 8.240 nan 0.000 0.467 597 N N 1.045 119.747 118.700 0.004 0.000 2.173 597 N HA -0.009 4.731 4.740 0.000 0.000 0.184 597 N C 1.911 177.425 175.510 0.007 0.000 1.025 597 N CA 0.845 53.899 53.050 0.005 0.000 0.852 597 N CB -0.275 38.215 38.487 0.005 0.000 0.998 597 N HN 0.522 nan 8.380 nan 0.000 0.427 598 E N 0.808 121.012 120.200 0.007 0.000 2.130 598 E HA -0.215 4.135 4.350 0.000 0.000 0.196 598 E C 1.847 178.453 176.600 0.010 0.000 0.998 598 E CA 0.893 57.298 56.400 0.009 0.000 0.806 598 E CB 0.002 29.707 29.700 0.008 0.000 0.738 598 E HN 0.376 nan 8.360 nan 0.000 0.459 599 Q N 0.489 120.294 119.800 0.008 0.000 2.083 599 Q HA -0.134 4.206 4.340 0.000 0.000 0.198 599 Q C 2.246 178.252 176.000 0.009 0.000 0.969 599 Q CA 0.829 56.637 55.803 0.008 0.000 0.838 599 Q CB 0.043 28.784 28.738 0.005 0.000 0.900 599 Q HN 0.334 nan 8.270 nan 0.000 0.436 600 I N 0.791 121.366 120.570 0.008 0.000 2.163 600 I HA -0.312 3.858 4.170 0.000 0.000 0.243 600 I C 2.515 178.641 176.117 0.014 0.000 1.085 600 I CA 1.251 62.556 61.300 0.009 0.000 1.347 600 I CB -0.199 37.805 38.000 0.007 0.000 1.044 600 I HN 0.220 nan 8.210 nan 0.000 0.408 601 Q N 0.579 120.387 119.800 0.014 0.000 2.112 601 Q HA -0.283 4.057 4.340 0.000 0.000 0.206 601 Q C 2.143 178.156 176.000 0.022 0.000 0.987 601 Q CA 1.798 57.611 55.803 0.016 0.000 0.858 601 Q CB -0.248 28.498 28.738 0.014 0.000 0.905 601 Q HN 0.427 nan 8.270 nan 0.000 0.420 602 Q N -0.543 119.271 119.800 0.023 0.000 2.096 602 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 602 Q C 1.776 177.804 176.000 0.046 0.000 0.982 602 Q CA 1.556 57.379 55.803 0.032 0.000 0.850 602 Q CB 0.077 28.832 28.738 0.028 0.000 0.901 602 Q HN 0.483 nan 8.270 nan 0.000 0.422 603 E N 0.064 120.288 120.200 0.039 0.000 2.072 603 E HA -0.196 4.154 4.350 0.000 0.000 0.191 603 E C 2.013 178.650 176.600 0.062 0.000 0.985 603 E CA 0.901 57.331 56.400 0.049 0.000 0.801 603 E CB -0.093 29.620 29.700 0.021 0.000 0.750 603 E HN 0.510 nan 8.360 nan 0.000 0.452 604 Q N 0.565 120.390 119.800 0.042 0.000 2.050 604 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 604 Q C 2.391 178.415 176.000 0.040 0.000 0.980 604 Q CA 0.952 56.777 55.803 0.037 0.000 0.840 604 Q CB -0.233 28.520 28.738 0.024 0.000 0.898 604 Q HN 0.139 nan 8.270 nan 0.000 0.424 605 L N 0.419 121.664 121.223 0.036 0.000 2.079 605 L HA -0.134 4.206 4.340 0.000 0.000 0.210 605 L C 1.557 178.443 176.870 0.027 0.000 1.081 605 L CA 1.750 56.606 54.840 0.027 0.000 0.752 605 L CB -0.115 41.958 42.059 0.024 0.000 0.896 605 L HN 0.168 nan 8.230 nan 0.000 0.433 606 L N -1.299 119.955 121.223 0.053 0.000 2.667 606 L HA 0.127 4.467 4.340 0.000 0.000 0.232 606 L C 2.015 178.927 176.870 0.071 0.000 1.138 606 L CA -0.046 54.808 54.840 0.024 0.000 0.921 606 L CB -0.017 42.074 42.059 0.052 0.000 1.180 606 L HN 0.382 nan 8.230 nan 0.000 0.487 607 Q N 1.145 121.013 119.800 0.113 0.000 1.921 607 Q HA -0.182 4.158 4.340 0.000 0.000 0.208 607 Q C 2.190 178.237 176.000 0.078 0.000 0.994 607 Q CA 2.365 58.249 55.803 0.135 0.000 0.857 607 Q CB -0.367 28.418 28.738 0.078 0.000 0.925 607 Q HN 0.457 nan 8.270 nan 0.000 0.421 608 G N 0.758 109.579 108.800 0.035 0.000 2.581 608 G HA2 -0.295 3.665 3.960 0.000 0.000 0.223 608 G HA3 -0.295 3.665 3.960 0.000 0.000 0.223 608 G C 1.290 176.189 174.900 -0.003 0.000 1.094 608 G CA 1.140 46.252 45.100 0.018 0.000 0.736 608 G HN 0.369 nan 8.290 nan 0.000 0.588 609 L N -0.441 120.751 121.223 -0.052 0.000 2.049 609 L HA 0.145 4.485 4.340 0.000 0.000 0.203 609 L C 2.625 179.414 176.870 -0.135 0.000 1.074 609 L CA 1.958 56.723 54.840 -0.125 0.000 0.749 609 L CB -0.640 41.275 42.059 -0.240 0.000 0.907 609 L HN 0.341 nan 8.230 nan 0.000 0.439 610 H N -0.542 118.531 119.070 0.005 0.000 2.387 610 H HA -0.089 4.467 4.556 0.000 0.000 0.299 610 H C 2.204 177.532 175.328 -0.000 0.000 1.099 610 H CA 1.339 57.387 56.048 -0.000 0.000 1.315 610 H CB -0.281 29.481 29.762 -0.001 0.000 1.380 610 H HN 0.542 nan 8.280 nan 0.000 0.513 611 A N 0.982 123.864 122.820 0.103 0.000 1.873 611 A HA -0.298 4.022 4.320 0.000 0.000 0.218 611 A C 2.208 179.814 177.584 0.037 0.000 1.193 611 A CA 2.093 54.165 52.037 0.058 0.000 0.629 611 A CB -0.520 18.505 19.000 0.041 0.000 0.826 611 A HN 0.437 nan 8.150 nan 0.000 0.447 612 E N -0.026 120.189 120.200 0.024 0.000 2.153 612 E HA -0.111 4.239 4.350 0.000 0.000 0.194 612 E C 1.721 178.333 176.600 0.020 0.000 0.988 612 E CA 1.130 57.542 56.400 0.020 0.000 0.811 612 E CB -0.318 29.392 29.700 0.016 0.000 0.746 612 E HN 0.663 nan 8.360 nan 0.000 0.466 613 I N 0.381 120.958 120.570 0.012 0.000 2.315 613 I HA -0.219 3.951 4.170 0.000 0.000 0.248 613 I C 2.016 178.144 176.117 0.018 0.000 1.117 613 I CA 1.661 62.963 61.300 0.003 0.000 1.404 613 I CB -0.331 37.670 38.000 0.001 0.000 1.071 613 I HN 0.222 nan 8.210 nan 0.000 0.419 614 D N 0.504 120.921 120.400 0.029 0.000 2.123 614 D HA -0.159 4.481 4.640 0.000 0.000 0.200 614 D C 2.002 178.308 176.300 0.011 0.000 0.976 614 D CA 1.498 55.510 54.000 0.021 0.000 0.831 614 D CB 0.193 41.007 40.800 0.024 0.000 0.974 614 D HN 0.099 nan 8.370 nan 0.000 0.469 615 T N 0.100 114.660 114.554 0.010 0.000 2.699 615 T HA -0.159 4.191 4.350 0.000 0.000 0.268 615 T C 1.601 176.292 174.700 -0.016 0.000 1.036 615 T CA 1.273 63.370 62.100 -0.004 0.000 1.147 615 T CB -0.303 68.565 68.868 0.001 0.000 0.862 615 T HN 0.250 nan 8.240 nan 0.000 0.446 616 N N 0.844 119.557 118.700 0.023 0.000 2.354 616 N HA 0.102 4.842 4.740 0.000 0.000 0.179 616 N C 1.809 177.383 175.510 0.108 0.000 1.021 616 N CA 0.586 53.683 53.050 0.079 0.000 0.887 616 N CB -0.170 38.426 38.487 0.181 0.000 0.974 616 N HN 0.365 nan 8.380 nan 0.000 0.437 617 L N 0.674 121.930 121.223 0.055 0.000 2.156 617 L HA -0.008 4.332 4.340 0.000 0.000 0.208 617 L C 2.447 179.321 176.870 0.007 0.000 1.095 617 L CA 0.790 55.656 54.840 0.043 0.000 0.770 617 L CB -0.141 41.927 42.059 0.015 0.000 0.914 617 L HN 0.007 nan 8.230 nan 0.000 0.439 618 R N -0.405 120.085 120.500 -0.018 0.000 2.073 618 R HA -0.105 4.235 4.340 0.000 0.000 0.229 618 R C 2.440 178.694 176.300 -0.077 0.000 1.120 618 R CA 1.000 57.080 56.100 -0.035 0.000 0.967 618 R CB -0.276 30.005 30.300 -0.031 0.000 0.862 618 R HN 0.207 nan 8.270 nan 0.000 0.436 619 R N 0.033 120.438 120.500 -0.157 0.000 2.091 619 R HA -0.170 4.171 4.340 0.000 0.000 0.238 619 R C 0.781 176.838 176.300 -0.406 0.000 1.136 619 R CA 1.610 57.510 56.100 -0.334 0.000 0.959 619 R CB -0.014 29.955 30.300 -0.552 0.000 0.856 619 R HN 0.260 nan 8.270 nan 0.000 0.437 620 Y N -0.089 120.205 120.300 -0.010 0.000 2.524 620 Y HA 0.289 4.839 4.550 0.000 0.000 0.266 620 Y C 0.152 175.957 175.900 -0.158 0.000 1.180 620 Y CA -0.236 57.821 58.100 -0.073 0.000 1.244 620 Y CB 0.259 38.654 38.460 -0.109 0.000 1.125 620 Y HN 0.012 nan 8.280 nan 0.000 0.524 621 R N -0.066 120.432 120.500 -0.003 0.000 3.516 621 R HA -0.203 4.137 4.340 0.000 0.000 0.271 621 R C -0.819 175.466 176.300 -0.025 0.000 1.098 621 R CA 0.297 56.398 56.100 0.002 0.000 0.732 621 R CB -2.400 27.917 30.300 0.029 0.000 1.152 621 R HN 0.321 nan 8.270 nan 0.000 0.455 622 L N 1.257 122.456 121.223 -0.039 0.000 2.395 622 L HA 0.430 4.770 4.340 0.000 0.000 0.269 622 L C -1.596 175.265 176.870 -0.015 0.000 1.133 622 L CA -2.077 52.735 54.840 -0.046 0.000 0.812 622 L CB 0.483 42.514 42.059 -0.046 0.000 1.125 622 L HN -0.143 nan 8.230 nan 0.000 0.452 623 P HA 0.224 nan 4.420 nan 0.000 0.290 623 P C -1.611 175.683 177.300 -0.009 0.000 1.276 623 P CA -0.774 62.322 63.100 -0.005 0.000 0.808 623 P CB 0.885 32.587 31.700 0.002 0.000 0.966 624 K N 1.528 121.921 120.400 -0.012 0.000 2.240 624 K HA 0.327 4.647 4.320 0.000 0.000 0.271 624 K C -0.622 175.967 176.600 -0.017 0.000 1.018 624 K CA -0.479 55.801 56.287 -0.013 0.000 0.874 624 K CB 1.004 33.498 32.500 -0.010 0.000 1.098 624 K HN 0.258 nan 8.250 nan 0.000 0.458 625 D N 3.018 123.409 120.400 -0.016 0.000 2.393 625 D HA 0.150 4.790 4.640 0.000 0.000 0.232 625 D C 1.032 177.319 176.300 -0.022 0.000 1.192 625 D CA -0.220 53.768 54.000 -0.020 0.000 0.882 625 D CB 0.681 41.472 40.800 -0.015 0.000 1.038 625 D HN 0.746 nan 8.370 nan 0.000 0.499 626 G N 3.413 112.196 108.800 -0.028 0.000 2.559 626 G HA2 -0.140 3.820 3.960 0.000 0.000 0.216 626 G HA3 -0.140 3.820 3.960 0.000 0.000 0.216 626 G C 1.492 176.375 174.900 -0.029 0.000 1.126 626 G CA 0.218 45.300 45.100 -0.030 0.000 0.778 626 G HN 0.525 nan 8.290 nan 0.000 0.543 627 L N 0.589 121.796 121.223 -0.027 0.000 1.993 627 L HA 0.158 4.498 4.340 0.000 0.000 0.206 627 L C 2.253 179.113 176.870 -0.017 0.000 1.074 627 L CA 0.438 55.265 54.840 -0.022 0.000 0.746 627 L CB -0.875 41.172 42.059 -0.020 0.000 0.896 627 L HN 0.262 nan 8.230 nan 0.000 0.435 628 A N 1.384 124.197 122.820 -0.013 0.000 2.613 628 A HA -0.038 4.283 4.320 0.000 0.000 0.230 628 A C 0.466 178.048 177.584 -0.004 0.000 1.051 628 A CA 0.015 52.047 52.037 -0.007 0.000 0.754 628 A CB -0.189 18.808 19.000 -0.006 0.000 0.979 628 A HN 0.472 nan 8.150 nan 0.000 0.510 629 R N 2.209 122.710 120.500 0.002 0.000 2.694 629 R HA 0.187 4.527 4.340 0.000 0.000 0.268 629 R C 0.802 177.116 176.300 0.022 0.000 1.061 629 R CA 0.261 56.368 56.100 0.010 0.000 1.133 629 R CB 0.117 30.425 30.300 0.014 0.000 1.020 629 R HN 0.537 nan 8.270 nan 0.000 0.475 630 S N 1.215 116.943 115.700 0.047 0.000 2.387 630 S HA -0.220 4.250 4.470 0.000 0.000 0.230 630 S C 1.840 176.464 174.600 0.040 0.000 1.035 630 S CA 1.939 60.187 58.200 0.081 0.000 1.014 630 S CB -0.304 63.016 63.200 0.200 0.000 0.836 630 S HN 0.855 nan 8.310 nan 0.000 0.466 631 S N 1.126 116.845 115.700 0.031 0.000 2.547 631 S HA -0.058 4.412 4.470 0.000 0.000 0.235 631 S C 1.067 175.664 174.600 -0.005 0.000 0.980 631 S CA 0.762 58.969 58.200 0.012 0.000 0.941 631 S CB -0.191 63.025 63.200 0.028 0.000 0.763 631 S HN 0.312 nan 8.310 nan 0.000 0.532 632 D N 1.920 122.319 120.400 -0.002 0.000 2.213 632 D HA 0.071 4.711 4.640 0.000 0.000 0.205 632 D C 1.564 177.847 176.300 -0.029 0.000 0.961 632 D CA 0.559 54.554 54.000 -0.008 0.000 0.853 632 D CB -0.357 40.444 40.800 0.000 0.000 0.967 632 D HN 0.350 nan 8.370 nan 0.000 0.496 633 N N 0.669 119.351 118.700 -0.031 0.000 2.216 633 N HA -0.089 4.651 4.740 0.000 0.000 0.183 633 N C 1.790 177.232 175.510 -0.112 0.000 1.017 633 N CA 0.217 53.239 53.050 -0.046 0.000 0.861 633 N CB -0.251 38.224 38.487 -0.019 0.000 0.986 633 N HN 0.136 nan 8.380 nan 0.000 0.428 634 L N 1.357 122.489 121.223 -0.152 0.000 2.093 634 L HA 0.039 4.379 4.340 0.000 0.000 0.208 634 L C 1.483 178.042 176.870 -0.518 0.000 1.085 634 L CA 1.444 56.078 54.840 -0.344 0.000 0.755 634 L CB -0.593 41.315 42.059 -0.253 0.000 0.904 634 L HN 0.064 nan 8.230 nan 0.000 0.435 635 N N -0.446 118.125 118.700 -0.215 0.000 2.396 635 N HA -0.149 4.591 4.740 0.000 0.000 0.180 635 N C 1.746 177.216 175.510 -0.066 0.000 1.028 635 N CA 0.705 53.704 53.050 -0.086 0.000 0.893 635 N CB 0.049 38.545 38.487 0.016 0.000 0.967 635 N HN 0.397 nan 8.380 nan 0.000 0.440 636 K N 0.279 120.628 120.400 -0.086 0.000 2.062 636 K HA 0.011 4.331 4.320 0.000 0.000 0.205 636 K C 1.830 178.421 176.600 -0.016 0.000 1.051 636 K CA 0.560 56.831 56.287 -0.028 0.000 0.941 636 K CB 0.176 32.661 32.500 -0.025 0.000 0.719 636 K HN -0.110 nan 8.250 nan 0.000 0.440 637 V N 0.911 120.763 119.914 -0.102 0.000 2.261 637 V HA -0.245 3.875 4.120 0.000 0.000 0.246 637 V C 2.058 178.168 176.094 0.026 0.000 1.047 637 V CA 1.697 63.960 62.300 -0.062 0.000 1.015 637 V CB -0.547 31.184 31.823 -0.155 0.000 0.642 637 V HN 0.183 nan 8.190 nan 0.000 0.446 638 F N 0.653 120.610 119.950 0.013 0.000 2.171 638 F HA -0.131 4.396 4.527 0.000 0.000 0.300 638 F C 2.648 178.436 175.800 -0.020 0.000 1.090 638 F CA 1.547 59.539 58.000 -0.014 0.000 1.293 638 F CB -1.851 37.146 39.000 -0.005 0.000 1.013 638 F HN 0.093 nan 8.300 nan 0.000 0.486 639 T N -1.571 113.083 114.554 0.166 0.000 2.777 639 T HA -0.226 4.124 4.350 0.000 0.000 0.266 639 T C 1.810 176.554 174.700 0.072 0.000 1.040 639 T CA 1.773 63.934 62.100 0.101 0.000 1.141 639 T CB -0.444 68.471 68.868 0.080 0.000 0.868 639 T HN 0.327 nan 8.240 nan 0.000 0.444 640 H N 1.259 120.322 119.070 -0.011 0.000 2.290 640 H HA -0.004 4.552 4.556 0.000 0.000 0.298 640 H C 2.016 177.289 175.328 -0.092 0.000 1.087 640 H CA 1.600 57.614 56.048 -0.056 0.000 1.291 640 H CB -0.642 29.067 29.762 -0.087 0.000 1.369 640 H HN 0.261 nan 8.280 nan 0.000 0.492 641 L N -0.003 121.070 121.223 -0.249 0.000 2.042 641 L HA -0.184 4.156 4.340 0.000 0.000 0.210 641 L C 2.649 179.406 176.870 -0.189 0.000 1.076 641 L CA 1.711 56.372 54.840 -0.299 0.000 0.749 641 L CB -0.390 41.579 42.059 -0.150 0.000 0.893 641 L HN 0.281 nan 8.230 nan 0.000 0.432 642 K N -0.134 120.212 120.400 -0.090 0.000 2.057 642 K HA -0.142 4.178 4.320 0.000 0.000 0.206 642 K C 2.035 178.605 176.600 -0.049 0.000 1.050 642 K CA 1.162 57.418 56.287 -0.052 0.000 0.935 642 K CB -0.017 32.475 32.500 -0.013 0.000 0.715 642 K HN 0.362 nan 8.250 nan 0.000 0.439 643 E N 0.362 120.526 120.200 -0.060 0.000 2.077 643 E HA -0.213 4.137 4.350 0.000 0.000 0.193 643 E C 2.177 178.752 176.600 -0.042 0.000 0.989 643 E CA 0.942 57.323 56.400 -0.033 0.000 0.800 643 E CB -0.031 29.655 29.700 -0.025 0.000 0.746 643 E HN 0.199 nan 8.360 nan 0.000 0.452 644 R N 0.926 121.322 120.500 -0.172 0.000 2.070 644 R HA -0.210 4.130 4.340 0.000 0.000 0.233 644 R C 2.455 178.744 176.300 -0.018 0.000 1.137 644 R CA 1.685 57.697 56.100 -0.145 0.000 0.945 644 R CB -0.095 30.009 30.300 -0.327 0.000 0.845 644 R HN -0.002 nan 8.270 nan 0.000 0.430 645 Q N 0.438 120.210 119.800 -0.048 0.000 2.133 645 Q HA -0.186 4.154 4.340 0.000 0.000 0.208 645 Q C 1.742 177.753 176.000 0.019 0.000 0.991 645 Q CA 2.547 58.343 55.803 -0.011 0.000 0.867 645 Q CB -0.417 28.302 28.738 -0.031 0.000 0.911 645 Q HN 0.466 nan 8.270 nan 0.000 0.417 646 A N -1.048 121.791 122.820 0.031 0.000 1.929 646 A HA -0.086 4.234 4.320 0.000 0.000 0.216 646 A C 1.975 179.592 177.584 0.054 0.000 1.176 646 A CA 1.206 53.264 52.037 0.034 0.000 0.628 646 A CB -0.795 18.226 19.000 0.036 0.000 0.816 646 A HN 0.559 nan 8.150 nan 0.000 0.444 647 F N 0.323 120.250 119.950 -0.038 0.000 2.234 647 F HA 0.022 4.549 4.527 0.000 0.000 0.296 647 F C 2.048 177.829 175.800 -0.031 0.000 1.089 647 F CA 1.842 59.825 58.000 -0.029 0.000 1.343 647 F CB 0.032 39.016 39.000 -0.026 0.000 1.040 647 F HN 0.125 nan 8.300 nan 0.000 0.498 648 K N 0.630 121.134 120.400 0.172 0.000 2.097 648 K HA -0.158 4.162 4.320 0.000 0.000 0.205 648 K C 1.971 178.534 176.600 -0.063 0.000 1.050 648 K CA 1.545 57.864 56.287 0.053 0.000 0.938 648 K CB -0.602 31.942 32.500 0.074 0.000 0.718 648 K HN 0.399 nan 8.250 nan 0.000 0.442 649 L N 0.680 121.872 121.223 -0.052 0.000 2.056 649 L HA -0.071 4.269 4.340 0.000 0.000 0.207 649 L C 2.313 179.117 176.870 -0.110 0.000 1.078 649 L CA 1.627 56.426 54.840 -0.067 0.000 0.749 649 L CB -0.369 41.664 42.059 -0.044 0.000 0.901 649 L HN 0.128 nan 8.230 nan 0.000 0.433 650 R N -0.466 119.940 120.500 -0.157 0.000 2.075 650 R HA -0.197 4.143 4.340 0.000 0.000 0.232 650 R C 2.332 178.499 176.300 -0.222 0.000 1.126 650 R CA 1.677 57.668 56.100 -0.181 0.000 0.963 650 R CB -0.307 29.864 30.300 -0.215 0.000 0.858 650 R HN 0.544 nan 8.270 nan 0.000 0.435 651 E N -0.697 119.306 120.200 -0.328 0.000 2.097 651 E HA -0.191 4.159 4.350 0.000 0.000 0.196 651 E C 1.433 177.938 176.600 -0.159 0.000 1.000 651 E CA 2.010 58.241 56.400 -0.281 0.000 0.804 651 E CB 0.083 29.587 29.700 -0.327 0.000 0.740 651 E HN 0.382 nan 8.360 nan 0.000 0.454 652 T N 0.467 114.944 114.554 -0.128 0.000 2.777 652 T HA -0.148 4.202 4.350 0.000 0.000 0.266 652 T C 1.801 176.452 174.700 -0.082 0.000 1.040 652 T CA 1.137 63.180 62.100 -0.094 0.000 1.141 652 T CB -0.192 68.629 68.868 -0.078 0.000 0.868 652 T HN 0.222 nan 8.240 nan 0.000 0.444 653 Q N 0.639 120.388 119.800 -0.084 0.000 2.112 653 Q HA -0.118 4.222 4.340 0.000 0.000 0.206 653 Q C 2.672 178.631 176.000 -0.069 0.000 0.987 653 Q CA 1.617 57.378 55.803 -0.070 0.000 0.858 653 Q CB -0.353 28.343 28.738 -0.070 0.000 0.905 653 Q HN 0.579 nan 8.270 nan 0.000 0.420 654 A N 0.743 123.512 122.820 -0.085 0.000 1.902 654 A HA -0.186 4.134 4.320 0.000 0.000 0.217 654 A C 1.976 179.522 177.584 -0.063 0.000 1.181 654 A CA 1.189 53.181 52.037 -0.076 0.000 0.623 654 A CB -0.317 18.627 19.000 -0.093 0.000 0.818 654 A HN 0.121 nan 8.150 nan 0.000 0.443 655 R N -0.600 119.859 120.500 -0.069 0.000 2.096 655 R HA -0.076 4.264 4.340 0.000 0.000 0.235 655 R C 2.195 178.467 176.300 -0.047 0.000 1.127 655 R CA 1.671 57.736 56.100 -0.058 0.000 0.968 655 R CB -0.786 29.474 30.300 -0.067 0.000 0.861 655 R HN 0.571 nan 8.270 nan 0.000 0.440 656 R N 0.038 120.510 120.500 -0.047 0.000 2.073 656 R HA -0.010 4.330 4.340 0.000 0.000 0.229 656 R C 2.013 178.294 176.300 -0.032 0.000 1.120 656 R CA 1.939 58.017 56.100 -0.037 0.000 0.967 656 R CB -0.761 29.517 30.300 -0.037 0.000 0.862 656 R HN 0.089 nan 8.270 nan 0.000 0.436 657 T N 0.743 115.276 114.554 -0.036 0.000 2.720 657 T HA -0.157 4.193 4.350 0.000 0.000 0.268 657 T C 1.367 176.049 174.700 -0.029 0.000 1.037 657 T CA 1.906 63.987 62.100 -0.032 0.000 1.144 657 T CB -0.195 68.652 68.868 -0.034 0.000 0.864 657 T HN 0.432 nan 8.240 nan 0.000 0.444 658 E N 0.832 121.013 120.200 -0.032 0.000 2.077 658 E HA -0.072 4.278 4.350 0.000 0.000 0.193 658 E C 2.513 179.097 176.600 -0.027 0.000 0.989 658 E CA 1.025 57.408 56.400 -0.029 0.000 0.800 658 E CB -0.228 29.453 29.700 -0.031 0.000 0.746 658 E HN 0.488 nan 8.360 nan 0.000 0.452 659 A N 1.712 124.517 122.820 -0.026 0.000 1.858 659 A HA -0.236 4.084 4.320 0.000 0.000 0.216 659 A C 1.734 179.304 177.584 -0.023 0.000 1.190 659 A CA 1.846 53.869 52.037 -0.023 0.000 0.617 659 A CB -0.528 18.462 19.000 -0.016 0.000 0.827 659 A HN 0.091 nan 8.150 nan 0.000 0.443 660 D N 0.199 120.587 120.400 -0.021 0.000 2.133 660 D HA -0.131 4.509 4.640 0.000 0.000 0.195 660 D C 2.171 178.459 176.300 -0.021 0.000 0.997 660 D CA 1.731 55.719 54.000 -0.020 0.000 0.840 660 D CB -0.485 40.304 40.800 -0.019 0.000 0.947 660 D HN 0.442 nan 8.370 nan 0.000 0.452 661 A N 0.403 123.210 122.820 -0.021 0.000 1.930 661 A HA -0.182 4.138 4.320 0.000 0.000 0.217 661 A C 2.083 179.655 177.584 -0.021 0.000 1.175 661 A CA 1.939 53.965 52.037 -0.020 0.000 0.627 661 A CB -0.357 18.631 19.000 -0.019 0.000 0.815 661 A HN 0.140 nan 8.150 nan 0.000 0.443 662 K N -0.086 120.299 120.400 -0.025 0.000 2.228 662 K HA -0.056 4.264 4.320 0.000 0.000 0.202 662 K C 2.093 178.673 176.600 -0.033 0.000 1.051 662 K CA 1.563 57.833 56.287 -0.028 0.000 0.960 662 K CB -0.283 32.197 32.500 -0.032 0.000 0.743 662 K HN 0.583 nan 8.250 nan 0.000 0.458 663 Q N 0.257 120.038 119.800 -0.033 0.000 2.046 663 Q HA -0.205 4.135 4.340 0.000 0.000 0.200 663 Q C 1.681 177.666 176.000 -0.026 0.000 0.975 663 Q CA 1.641 57.423 55.803 -0.034 0.000 0.836 663 Q CB -0.131 28.588 28.738 -0.031 0.000 0.896 663 Q HN 0.090 nan 8.270 nan 0.000 0.428 664 K N 1.150 121.538 120.400 -0.021 0.000 2.052 664 K HA -0.245 4.075 4.320 0.000 0.000 0.215 664 K C 1.659 178.249 176.600 -0.016 0.000 1.053 664 K CA 2.374 58.652 56.287 -0.016 0.000 0.934 664 K CB -0.296 32.195 32.500 -0.014 0.000 0.717 664 K HN 0.345 nan 8.250 nan 0.000 0.450 665 E N -1.018 119.171 120.200 -0.018 0.000 2.118 665 E HA -0.161 4.189 4.350 0.000 0.000 0.195 665 E C 1.744 178.334 176.600 -0.017 0.000 0.992 665 E CA 1.734 58.124 56.400 -0.016 0.000 0.804 665 E CB -0.184 29.505 29.700 -0.018 0.000 0.741 665 E HN 0.708 nan 8.360 nan 0.000 0.458 666 T N -1.899 112.641 114.554 -0.023 0.000 3.055 666 T HA -0.020 4.330 4.350 0.000 0.000 0.265 666 T C 1.585 176.274 174.700 -0.018 0.000 1.111 666 T CA 0.642 62.727 62.100 -0.024 0.000 1.118 666 T CB 0.060 68.906 68.868 -0.036 0.000 0.909 666 T HN 0.091 nan 8.240 nan 0.000 0.501 667 E N 1.063 121.254 120.200 -0.016 0.000 2.076 667 E HA -0.065 4.285 4.350 0.000 0.000 0.190 667 E C 1.849 178.447 176.600 -0.005 0.000 0.979 667 E CA 0.967 57.362 56.400 -0.009 0.000 0.807 667 E CB 0.001 29.696 29.700 -0.009 0.000 0.761 667 E HN 0.433 nan 8.360 nan 0.000 0.454 668 D N 0.733 121.130 120.400 -0.006 0.000 2.182 668 D HA -0.149 4.491 4.640 0.000 0.000 0.201 668 D C 1.814 178.113 176.300 -0.002 0.000 0.986 668 D CA 0.625 54.623 54.000 -0.003 0.000 0.847 668 D CB -0.042 40.755 40.800 -0.005 0.000 0.942 668 D HN 0.069 nan 8.370 nan 0.000 0.467 669 L N 0.819 122.040 121.223 -0.004 0.000 2.131 669 L HA -0.070 4.270 4.340 0.000 0.000 0.206 669 L C 2.007 178.878 176.870 0.002 0.000 1.087 669 L CA 1.561 56.399 54.840 -0.003 0.000 0.767 669 L CB -0.523 41.532 42.059 -0.007 0.000 0.917 669 L HN -0.142 nan 8.230 nan 0.000 0.441 670 E N -1.387 118.814 120.200 0.002 0.000 2.208 670 E HA -0.192 4.158 4.350 0.000 0.000 0.193 670 E C 1.982 178.591 176.600 0.014 0.000 0.988 670 E CA 0.876 57.281 56.400 0.008 0.000 0.828 670 E CB -0.074 29.629 29.700 0.006 0.000 0.763 670 E HN 0.385 nan 8.360 nan 0.000 0.478 671 Q N 0.444 120.250 119.800 0.010 0.000 2.123 671 Q HA -0.126 4.214 4.340 0.000 0.000 0.199 671 Q C 1.898 177.905 176.000 0.012 0.000 0.966 671 Q CA 1.690 57.500 55.803 0.012 0.000 0.845 671 Q CB -0.212 28.532 28.738 0.009 0.000 0.907 671 Q HN 0.644 nan 8.270 nan 0.000 0.439 672 E N 0.082 120.287 120.200 0.009 0.000 2.274 672 E HA -0.125 4.225 4.350 0.000 0.000 0.194 672 E C 1.066 177.672 176.600 0.010 0.000 0.996 672 E CA 0.642 57.047 56.400 0.008 0.000 0.840 672 E CB 0.190 29.893 29.700 0.005 0.000 0.772 672 E HN 0.169 nan 8.360 nan 0.000 0.491 673 N N 0.399 119.106 118.700 0.013 0.000 2.409 673 N HA -0.009 4.731 4.740 0.000 0.000 0.179 673 N C 1.601 177.124 175.510 0.021 0.000 1.032 673 N CA 0.617 53.677 53.050 0.017 0.000 0.898 673 N CB 0.051 38.550 38.487 0.020 0.000 0.971 673 N HN 0.285 nan 8.380 nan 0.000 0.441 674 I N 0.244 120.827 120.570 0.022 0.000 2.500 674 I HA -0.093 4.077 4.170 0.000 0.000 0.252 674 I C 1.979 178.107 176.117 0.017 0.000 1.142 674 I CA 0.503 61.818 61.300 0.024 0.000 1.451 674 I CB 0.034 38.050 38.000 0.028 0.000 1.093 674 I HN 0.045 nan 8.210 nan 0.000 0.430 675 A N 0.322 123.151 122.820 0.014 0.000 1.975 675 A HA 0.005 4.325 4.320 0.000 0.000 0.215 675 A C 2.208 179.797 177.584 0.010 0.000 1.170 675 A CA 0.755 52.799 52.037 0.011 0.000 0.656 675 A CB -0.453 18.552 19.000 0.009 0.000 0.821 675 A HN 0.323 nan 8.150 nan 0.000 0.449 676 L N -0.910 120.319 121.223 0.011 0.000 2.217 676 L HA -0.117 4.223 4.340 0.000 0.000 0.211 676 L C 2.493 179.370 176.870 0.010 0.000 1.107 676 L CA 1.596 56.441 54.840 0.010 0.000 0.783 676 L CB -0.318 41.747 42.059 0.010 0.000 0.919 676 L HN 0.562 nan 8.230 nan 0.000 0.442 677 E N 0.307 120.514 120.200 0.013 0.000 2.158 677 E HA -0.176 4.174 4.350 0.000 0.000 0.191 677 E C 2.064 178.669 176.600 0.008 0.000 0.982 677 E CA 0.634 57.041 56.400 0.012 0.000 0.823 677 E CB 0.304 30.014 29.700 0.017 0.000 0.766 677 E HN 0.284 nan 8.360 nan 0.000 0.468 678 K N 0.132 120.536 120.400 0.008 0.000 2.097 678 K HA -0.119 4.201 4.320 0.000 0.000 0.205 678 K C 2.213 178.815 176.600 0.004 0.000 1.050 678 K CA 1.196 57.487 56.287 0.005 0.000 0.938 678 K CB 0.065 32.569 32.500 0.006 0.000 0.718 678 K HN 0.113 nan 8.250 nan 0.000 0.442 679 Q N 0.160 119.963 119.800 0.005 0.000 2.124 679 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 679 Q C 1.920 177.923 176.000 0.004 0.000 0.977 679 Q CA 0.958 56.763 55.803 0.004 0.000 0.850 679 Q CB -0.034 28.707 28.738 0.005 0.000 0.901 679 Q HN 0.146 nan 8.270 nan 0.000 0.429 680 L N 1.115 122.341 121.223 0.005 0.000 2.131 680 L HA -0.174 4.166 4.340 0.000 0.000 0.210 680 L C 1.779 178.650 176.870 0.002 0.000 1.092 680 L CA 1.725 56.568 54.840 0.004 0.000 0.759 680 L CB -0.489 41.574 42.059 0.005 0.000 0.903 680 L HN 0.178 nan 8.230 nan 0.000 0.435 681 D N -0.971 119.429 120.400 0.002 0.000 2.103 681 D HA -0.157 4.483 4.640 0.000 0.000 0.199 681 D C 1.700 178.000 176.300 -0.000 0.000 0.978 681 D CA 0.783 54.783 54.000 -0.000 0.000 0.829 681 D CB 0.158 40.957 40.800 -0.001 0.000 0.981 681 D HN 0.314 nan 8.370 nan 0.000 0.464 682 N N 0.902 119.602 118.700 0.001 0.000 2.120 682 N HA -0.125 4.615 4.740 0.000 0.000 0.188 682 N C 1.746 177.257 175.510 0.001 0.000 1.024 682 N CA 0.815 53.865 53.050 0.001 0.000 0.852 682 N CB -0.207 38.280 38.487 0.001 0.000 1.003 682 N HN 0.273 nan 8.380 nan 0.000 0.424 683 K N 0.565 120.966 120.400 0.001 0.000 2.148 683 K HA 0.043 4.363 4.320 0.000 0.000 0.204 683 K C 2.113 178.714 176.600 0.001 0.000 1.050 683 K CA 0.667 56.955 56.287 0.002 0.000 0.942 683 K CB 0.057 32.558 32.500 0.002 0.000 0.724 683 K HN 0.159 nan 8.250 nan 0.000 0.446 684 R N 0.307 120.808 120.500 0.001 0.000 2.066 684 R HA -0.069 4.271 4.340 0.000 0.000 0.232 684 R C 2.400 178.700 176.300 -0.000 0.000 1.131 684 R CA 1.226 57.326 56.100 0.000 0.000 0.955 684 R CB -0.372 29.927 30.300 -0.000 0.000 0.851 684 R HN 0.162 nan 8.270 nan 0.000 0.432 685 A N 1.524 124.344 122.820 -0.000 0.000 1.948 685 A HA -0.236 4.084 4.320 0.000 0.000 0.220 685 A C 1.965 179.549 177.584 -0.000 0.000 1.177 685 A CA 1.620 53.657 52.037 -0.001 0.000 0.636 685 A CB -0.320 18.680 19.000 -0.001 0.000 0.815 685 A HN 0.224 nan 8.150 nan 0.000 0.449 686 K N -0.966 119.434 120.400 0.000 0.000 2.155 686 K HA -0.103 4.217 4.320 0.000 0.000 0.203 686 K C 2.311 178.911 176.600 0.001 0.000 1.052 686 K CA 1.342 57.630 56.287 0.001 0.000 0.948 686 K CB -0.126 32.375 32.500 0.001 0.000 0.728 686 K HN 0.614 nan 8.250 nan 0.000 0.448 687 Q N -0.286 119.515 119.800 0.001 0.000 2.167 687 Q HA -0.091 4.249 4.340 0.000 0.000 0.202 687 Q C 2.018 178.018 176.000 0.001 0.000 0.970 687 Q CA 1.253 57.056 55.803 0.001 0.000 0.855 687 Q CB 0.022 28.761 28.738 0.001 0.000 0.911 687 Q HN 0.317 nan 8.270 nan 0.000 0.438 688 A N 1.071 123.891 122.820 0.000 0.000 1.897 688 A HA -0.193 4.127 4.320 0.000 0.000 0.215 688 A C 1.770 179.354 177.584 0.000 0.000 1.181 688 A CA 1.197 53.234 52.037 0.000 0.000 0.620 688 A CB -0.318 18.682 19.000 -0.000 0.000 0.821 688 A HN 0.300 nan 8.150 nan 0.000 0.443 689 E N -0.693 119.507 120.200 0.000 0.000 2.058 689 E HA -0.222 4.128 4.350 0.000 0.000 0.194 689 E C 1.892 178.492 176.600 0.000 0.000 0.997 689 E CA 1.346 57.746 56.400 0.000 0.000 0.801 689 E CB -0.259 29.442 29.700 0.000 0.000 0.746 689 E HN 0.458 nan 8.360 nan 0.000 0.450 690 L N 1.220 122.443 121.223 0.000 0.000 2.093 690 L HA -0.130 4.210 4.340 0.000 0.000 0.208 690 L C 2.383 179.253 176.870 0.000 0.000 1.085 690 L CA 1.578 56.419 54.840 0.001 0.000 0.755 690 L CB -0.299 41.761 42.059 0.001 0.000 0.904 690 L HN -0.052 nan 8.230 nan 0.000 0.435 691 R N -1.233 119.267 120.500 0.000 0.000 2.115 691 R HA -0.156 4.184 4.340 0.000 0.000 0.230 691 R C 2.211 178.511 176.300 0.000 0.000 1.111 691 R CA 1.419 57.519 56.100 0.000 0.000 0.976 691 R CB -0.232 30.068 30.300 0.000 0.000 0.870 691 R HN 0.512 nan 8.270 nan 0.000 0.445 692 Q N 0.300 120.100 119.800 0.000 0.000 2.083 692 Q HA -0.154 4.186 4.340 0.000 0.000 0.198 692 Q C 1.745 177.745 176.000 0.000 0.000 0.969 692 Q CA 1.473 57.276 55.803 0.000 0.000 0.838 692 Q CB 0.131 28.869 28.738 -0.000 0.000 0.900 692 Q HN 0.453 nan 8.270 nan 0.000 0.436 693 E N -0.807 119.393 120.200 0.000 0.000 2.204 693 E HA -0.142 4.208 4.350 0.000 0.000 0.195 693 E C 1.547 178.147 176.600 0.000 0.000 0.990 693 E CA 1.258 57.658 56.400 0.000 0.000 0.821 693 E CB 0.254 29.954 29.700 0.000 0.000 0.750 693 E HN 0.258 nan 8.360 nan 0.000 0.477 694 T N -0.402 114.152 114.554 0.000 0.000 2.812 694 T HA -0.139 4.212 4.350 0.000 0.000 0.264 694 T C 2.003 176.704 174.700 0.000 0.000 1.042 694 T CA 1.324 63.424 62.100 0.000 0.000 1.140 694 T CB -0.169 68.699 68.868 0.000 0.000 0.870 694 T HN 0.264 nan 8.240 nan 0.000 0.445 695 S N 1.315 117.016 115.700 0.000 0.000 2.387 695 S HA 0.006 4.476 4.470 0.000 0.000 0.226 695 S C 2.009 176.609 174.600 0.000 0.000 1.026 695 S CA 0.513 58.713 58.200 0.000 0.000 0.972 695 S CB -0.596 62.604 63.200 0.000 0.000 0.814 695 S HN 0.249 nan 8.310 nan 0.000 0.477 696 L N 0.900 122.123 121.223 0.000 0.000 2.275 696 L HA 0.227 4.567 4.340 0.000 0.000 0.215 696 L C 2.317 179.187 176.870 0.000 0.000 1.119 696 L CA 1.517 56.357 54.840 0.000 0.000 0.790 696 L CB -0.456 41.603 42.059 0.000 0.000 0.919 696 L HN 0.204 nan 8.230 nan 0.000 0.443 697 K N -1.025 119.375 120.400 0.000 0.000 2.211 697 K HA 0.078 4.398 4.320 0.000 0.000 0.201 697 K C 2.152 178.752 176.600 0.000 0.000 1.052 697 K CA 0.740 57.027 56.287 0.000 0.000 0.973 697 K CB 0.061 32.561 32.500 0.000 0.000 0.766 697 K HN 0.103 nan 8.250 nan 0.000 0.466 698 R N 0.064 120.565 120.500 0.000 0.000 2.092 698 R HA -0.117 4.223 4.340 0.000 0.000 0.231 698 R C 2.230 178.530 176.300 0.000 0.000 1.119 698 R CA 1.365 57.465 56.100 0.000 0.000 0.970 698 R CB -0.079 30.221 30.300 0.000 0.000 0.864 698 R HN 0.346 nan 8.270 nan 0.000 0.440 699 Q N 1.049 120.849 119.800 0.000 0.000 1.990 699 Q HA -0.213 4.127 4.340 0.000 0.000 0.200 699 Q C 1.962 177.962 176.000 0.000 0.000 0.980 699 Q CA 1.624 57.427 55.803 0.000 0.000 0.832 699 Q CB 0.039 28.777 28.738 -0.000 0.000 0.897 699 Q HN -0.028 nan 8.270 nan 0.000 0.427 700 K N -0.207 120.193 120.400 0.000 0.000 2.089 700 K HA -0.147 4.174 4.320 0.000 0.000 0.210 700 K C 1.847 178.447 176.600 0.000 0.000 1.048 700 K CA 1.536 57.823 56.287 0.000 0.000 0.926 700 K CB -0.346 32.154 32.500 0.000 0.000 0.714 700 K HN 0.116 nan 8.250 nan 0.000 0.448 701 V N 0.527 120.441 119.914 0.000 0.000 2.667 701 V HA -0.131 3.989 4.120 0.000 0.000 0.252 701 V C 2.272 178.366 176.094 0.000 0.000 1.065 701 V CA 1.573 63.873 62.300 0.000 0.000 1.083 701 V CB -0.311 31.512 31.823 0.000 0.000 0.692 701 V HN 0.370 nan 8.190 nan 0.000 0.468 702 K N -0.201 120.199 120.400 0.000 0.000 2.031 702 K HA -0.188 4.132 4.320 0.000 0.000 0.205 702 K C 2.245 178.845 176.600 0.000 0.000 1.049 702 K CA 1.436 57.724 56.287 0.000 0.000 0.939 702 K CB -0.066 32.434 32.500 0.000 0.000 0.717 702 K HN 0.477 nan 8.250 nan 0.000 0.438 703 Q N 0.419 120.219 119.800 0.000 0.000 2.096 703 Q HA -0.142 4.198 4.340 0.000 0.000 0.204 703 Q C 2.067 178.067 176.000 0.000 0.000 0.982 703 Q CA 1.426 57.229 55.803 -0.000 0.000 0.850 703 Q CB -0.056 28.682 28.738 -0.000 0.000 0.901 703 Q HN 0.347 nan 8.270 nan 0.000 0.422 704 L N 0.325 121.548 121.223 0.000 0.000 2.362 704 L HA -0.154 4.186 4.340 0.000 0.000 0.219 704 L C 1.818 178.688 176.870 0.000 0.000 1.134 704 L CA 0.843 55.683 54.840 0.000 0.000 0.807 704 L CB -0.170 41.889 42.059 0.000 0.000 0.927 704 L HN 0.278 nan 8.230 nan 0.000 0.447 705 E N -0.087 120.113 120.200 0.000 0.000 2.190 705 E HA -0.042 4.308 4.350 0.000 0.000 0.191 705 E C 2.312 178.912 176.600 0.000 0.000 0.978 705 E CA 0.743 57.144 56.400 0.000 0.000 0.839 705 E CB 0.048 29.748 29.700 0.000 0.000 0.787 705 E HN 0.433 nan 8.360 nan 0.000 0.473 706 A N 1.516 124.336 122.820 0.000 0.000 1.969 706 A HA -0.163 4.157 4.320 0.000 0.000 0.218 706 A C 2.020 179.604 177.584 -0.000 0.000 1.169 706 A CA 1.301 53.338 52.037 -0.000 0.000 0.635 706 A CB -0.206 18.794 19.000 -0.000 0.000 0.810 706 A HN -0.047 nan 8.150 nan 0.000 0.445 707 K N -0.060 120.340 120.400 -0.000 0.000 2.522 707 K HA 0.069 4.389 4.320 0.000 0.000 0.194 707 K C 1.093 177.693 176.600 0.000 0.000 1.026 707 K CA 0.933 57.221 56.287 -0.000 0.000 1.119 707 K CB -0.256 32.245 32.500 -0.000 0.000 0.856 707 K HN 0.421 nan 8.250 nan 0.000 0.513 708 K N 0.159 120.559 120.400 0.000 0.000 2.533 708 K HA 0.102 4.422 4.320 0.000 0.000 0.202 708 K C -0.709 175.891 176.600 0.000 0.000 1.096 708 K CA -0.277 56.010 56.287 0.000 0.000 1.056 708 K CB 0.130 32.630 32.500 0.000 0.000 0.890 708 K HN 0.106 nan 8.250 nan 0.000 0.552 709 N N 0.000 118.700 118.700 0.000 0.000 1.763 709 N HA 0.000 4.740 4.740 0.000 0.000 0.220 709 N CA 0.000 53.050 53.050 0.000 0.000 0.885 709 N CB 0.000 38.487 38.487 0.000 0.000 1.341 709 N HN 0.000 nan 8.380 nan 0.000 0.667