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 1sc7_1_A DATA FIRST_RESID 199 DATA SEQUENCE EEQKWKWWEE ERYPEGIKWK FLEHKGPVFA PPYEPLPENV KFYYDGKVMK DATA SEQUENCE LSPKAEEVAT FFAKMLDHEY TTKEIFRKNF FKDWRKEMTN EEKNIITNLS DATA SEQUENCE KCDFTQMSQY FKAQTEARKQ MSKEEKLKIK EENEKLLKEY GFCIMDNHKE DATA SEQUENCE RIANFKIEPP GLFRGRGNHP KMGMLKRRIM PEDIIINCSK DAKVPSPPPG DATA SEQUENCE HKWKEVRHDN KVTWLVSWTE NIQGSIKYIM LNPSSRIKGE KDWQKYETAR DATA SEQUENCE RLKKCVDKIR NQYREDWKSK EMKVRQRAVA LYFIDKLALR AGNEKEEGET DATA SEQUENCE ADTVGCCSLR VEHINLHPEL DGQEYVVEFD FLGKDSIRYY NKVPVEKRVF DATA SEQUENCE KNLQLFMENK QPEDDLFDRL NTGILNKHLQ DLMEGLTAKV FRTYNASITL DATA SEQUENCE QQQLKELTAP DENIPAKILS YNRANRAVAI LCNHQRAPPK TFEKSMMNLQ DATA SEQUENCE TKIDAKKEQL ADARRDLKSA KADAKVMKDA KTKKVVESKK KAVQRLEEQL DATA SEQUENCE MKLEVQATDR EENKQIALGT SKLNXLDPRI TVAWCKKWGV PIEKIYNKTQ DATA SEQUENCE REKFAWAIDM ADEDYEF 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 199 E HA 0.000 nan 4.350 nan 0.000 0.291 199 E C 0.000 176.607 176.600 0.012 0.000 1.382 199 E CA 0.000 56.400 56.400 -0.000 0.000 0.976 199 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 200 E N 0.323 120.536 120.200 0.022 0.000 2.292 200 E HA 0.482 4.833 4.350 0.001 0.000 0.265 200 E C 0.773 177.398 176.600 0.043 0.000 1.093 200 E CA 0.983 57.405 56.400 0.037 0.000 0.922 200 E CB 0.164 29.886 29.700 0.037 0.000 1.001 200 E HN 1.442 nan 8.360 nan 0.000 0.444 201 Q N 1.521 121.358 119.800 0.061 0.000 2.530 201 Q HA 0.606 4.946 4.340 0.001 0.000 0.198 201 Q C 1.567 177.626 176.000 0.098 0.000 0.956 201 Q CA 2.077 57.924 55.803 0.074 0.000 0.870 201 Q CB -0.897 27.890 28.738 0.081 0.000 1.050 201 Q HN 2.310 nan 8.270 nan 0.000 0.604 202 K N -0.602 119.878 120.400 0.133 0.000 6.281 202 K HA -0.034 4.286 4.320 0.001 0.000 0.629 202 K C -0.563 176.135 176.600 0.163 0.000 1.517 202 K CA 0.689 57.066 56.287 0.151 0.000 1.607 202 K CB -2.589 29.978 32.500 0.112 0.000 1.837 202 K HN 1.228 nan 8.250 nan 0.000 0.354 203 W N 3.254 124.538 121.300 -0.027 0.000 2.272 203 W HA 0.534 5.194 4.660 0.001 0.000 0.318 203 W C 0.475 176.766 176.519 -0.380 0.000 1.255 203 W CA -0.861 56.388 57.345 -0.160 0.000 1.200 203 W CB 0.944 30.258 29.460 -0.244 0.000 1.170 203 W HN 0.568 nan 8.180 nan 0.000 0.549 204 K N 8.517 128.387 120.400 -0.884 0.000 2.526 204 K HA 0.038 4.358 4.320 0.001 0.000 0.214 204 K C 1.073 176.445 176.600 -2.048 0.000 1.088 204 K CA -0.501 54.598 56.287 -1.980 0.000 1.058 204 K CB -0.134 31.471 32.500 -1.492 0.000 1.653 204 K HN 0.697 nan 8.250 nan 0.000 0.521 205 W N 0.882 121.000 121.300 -1.969 0.000 2.424 205 W HA -0.204 4.456 4.660 0.001 0.000 0.264 205 W C 0.552 176.750 176.519 -0.534 0.000 1.229 205 W CA 0.310 56.735 57.345 -1.534 0.000 1.208 205 W CB -1.054 27.494 29.460 -1.522 0.000 1.127 205 W HN 0.530 nan 8.180 nan 0.000 0.588 206 W N 1.383 122.271 121.300 -0.686 0.000 2.584 206 W HA 0.166 4.826 4.660 0.001 0.000 0.264 206 W C 1.493 177.939 176.519 -0.123 0.000 1.264 206 W CA 1.180 58.285 57.345 -0.400 0.000 1.306 206 W CB -1.214 27.727 29.460 -0.865 0.000 1.110 206 W HN -0.130 nan 8.180 nan 0.000 0.606 207 E N 0.722 120.740 120.200 -0.304 0.000 2.481 207 E HA -0.047 4.304 4.350 0.001 0.000 0.195 207 E C 0.969 177.558 176.600 -0.018 0.000 1.047 207 E CA 0.381 56.706 56.400 -0.124 0.000 0.867 207 E CB 0.051 29.612 29.700 -0.232 0.000 0.858 207 E HN 0.169 nan 8.360 nan 0.000 0.513 208 E N 0.728 120.931 120.200 0.006 0.000 2.322 208 E HA 0.145 4.495 4.350 0.001 0.000 0.257 208 E C -0.034 176.625 176.600 0.098 0.000 1.155 208 E CA -0.069 56.383 56.400 0.086 0.000 0.936 208 E CB 0.543 30.350 29.700 0.178 0.000 1.130 208 E HN 0.108 nan 8.360 nan 0.000 0.465 209 E N 1.098 121.328 120.200 0.050 0.000 2.319 209 E HA 0.155 4.506 4.350 0.001 0.000 0.268 209 E C -0.062 176.518 176.600 -0.032 0.000 1.050 209 E CA -0.616 55.788 56.400 0.006 0.000 0.878 209 E CB 0.889 30.565 29.700 -0.041 0.000 1.066 209 E HN 0.178 nan 8.360 nan 0.000 0.406 210 R N 1.696 122.186 120.500 -0.016 0.000 2.560 210 R HA 0.238 4.578 4.340 0.001 0.000 0.270 210 R C -0.364 175.893 176.300 -0.072 0.000 1.074 210 R CA -0.309 55.797 56.100 0.009 0.000 1.140 210 R CB -0.108 30.208 30.300 0.027 0.000 1.073 210 R HN 0.457 nan 8.270 nan 0.000 0.527 211 Y N 0.869 121.195 120.300 0.043 0.000 2.299 211 Y HA 0.245 4.795 4.550 0.001 0.000 0.326 211 Y C -1.400 174.498 175.900 -0.004 0.000 1.164 211 Y CA -1.718 56.397 58.100 0.026 0.000 1.234 211 Y CB 0.316 38.791 38.460 0.026 0.000 1.219 211 Y HN 0.368 nan 8.280 nan 0.000 0.497 212 P HA 0.021 nan 4.420 nan 0.000 0.271 212 P C -0.777 176.550 177.300 0.045 0.000 1.216 212 P CA -0.297 62.839 63.100 0.059 0.000 0.771 212 P CB 0.464 32.189 31.700 0.040 0.000 0.864 213 E N 1.983 122.190 120.200 0.012 0.000 3.254 213 E HA -0.240 4.110 4.350 0.001 0.000 0.321 213 E C 1.273 177.856 176.600 -0.029 0.000 0.718 213 E CA 1.836 58.229 56.400 -0.011 0.000 1.140 213 E CB -0.451 29.237 29.700 -0.019 0.000 0.764 213 E HN 0.876 nan 8.360 nan 0.000 0.501 214 G N 3.643 112.415 108.800 -0.047 0.000 3.586 214 G HA2 -0.328 3.633 3.960 0.001 0.000 0.212 214 G HA3 -0.328 3.633 3.960 0.001 0.000 0.212 214 G C 0.464 175.283 174.900 -0.135 0.000 1.411 214 G CA -0.046 45.004 45.100 -0.084 0.000 0.898 214 G HN 0.561 nan 8.290 nan 0.000 0.575 215 I N 2.468 122.955 120.570 -0.138 0.000 2.742 215 I HA 0.078 4.248 4.170 0.001 0.000 0.287 215 I C 1.453 177.398 176.117 -0.287 0.000 1.186 215 I CA 0.297 61.451 61.300 -0.244 0.000 1.417 215 I CB 0.848 38.746 38.000 -0.170 0.000 1.377 215 I HN 0.166 nan 8.210 nan 0.000 0.556 216 K N 6.861 127.000 120.400 -0.435 0.000 2.348 216 K HA 0.158 4.478 4.320 0.001 0.000 0.194 216 K C -0.158 176.268 176.600 -0.290 0.000 1.052 216 K CA 0.616 56.720 56.287 -0.306 0.000 1.004 216 K CB 0.662 33.051 32.500 -0.186 0.000 0.873 216 K HN 0.751 nan 8.250 nan 0.000 0.523 217 W N -1.063 119.972 121.300 -0.441 0.000 2.895 217 W HA 0.414 5.074 4.660 0.000 0.000 0.377 217 W C -0.104 176.239 176.519 -0.294 0.000 1.191 217 W CA -0.595 56.496 57.345 -0.422 0.000 1.179 217 W CB 0.365 29.701 29.460 -0.207 0.000 1.469 217 W HN -0.372 nan 8.180 nan 0.000 0.577 218 K N -0.497 120.092 120.400 0.315 0.000 2.511 218 K HA 0.197 4.517 4.320 0.001 0.000 0.206 218 K C -0.733 176.168 176.600 0.503 0.000 1.333 218 K CA 0.100 56.571 56.287 0.306 0.000 0.957 218 K CB 1.401 34.040 32.500 0.232 0.000 1.172 218 K HN 0.196 nan 8.250 nan 0.000 0.547 219 F N 1.241 121.373 119.950 0.304 0.000 2.565 219 F HA 0.550 5.077 4.527 0.001 0.000 0.313 219 F C -1.868 173.835 175.800 -0.163 0.000 1.091 219 F CA -1.245 56.813 58.000 0.097 0.000 0.915 219 F CB 1.642 40.663 39.000 0.035 0.000 1.208 219 F HN -0.259 nan 8.300 nan 0.000 0.453 220 L N 5.057 125.699 121.223 -0.969 0.000 2.614 220 L HA 0.481 4.821 4.340 0.001 0.000 0.264 220 L C -1.773 174.656 176.870 -0.735 0.000 0.940 220 L CA -0.072 54.247 54.840 -0.868 0.000 0.903 220 L CB 1.927 43.144 42.059 -1.404 0.000 1.306 220 L HN 0.731 nan 8.230 nan 0.000 0.410 221 E N 2.923 122.890 120.200 -0.390 0.000 2.290 221 E HA 0.643 4.993 4.350 0.001 0.000 0.274 221 E C -1.799 174.792 176.600 -0.015 0.000 0.889 221 E CA -0.564 55.692 56.400 -0.241 0.000 0.760 221 E CB 1.481 31.087 29.700 -0.156 0.000 1.206 221 E HN 0.839 nan 8.360 nan 0.000 0.419 222 H N 0.922 119.941 119.070 -0.084 0.000 3.016 222 H HA 0.441 4.997 4.556 0.001 0.000 0.362 222 H C -0.531 174.824 175.328 0.044 0.000 1.233 222 H CA -1.038 55.002 56.048 -0.013 0.000 1.124 222 H CB 1.002 30.755 29.762 -0.015 0.000 1.850 222 H HN 0.116 nan 8.280 nan 0.000 0.549 223 K N 1.435 121.945 120.400 0.183 0.000 2.504 223 K HA 0.240 4.560 4.320 0.001 0.000 0.199 223 K C 0.570 177.430 176.600 0.433 0.000 1.028 223 K CA 0.719 57.117 56.287 0.186 0.000 1.164 223 K CB -0.009 32.474 32.500 -0.027 0.000 0.877 223 K HN 0.981 nan 8.250 nan 0.000 0.508 224 G N 2.743 111.822 108.800 0.464 0.000 2.796 224 G HA2 -0.230 3.730 3.960 0.001 0.000 0.226 224 G HA3 -0.230 3.730 3.960 0.001 0.000 0.226 224 G C -2.716 172.415 174.900 0.386 0.000 1.381 224 G CA -0.823 44.555 45.100 0.462 0.000 0.867 224 G HN 0.078 nan 8.290 nan 0.000 0.552 225 P HA 0.562 nan 4.420 nan 0.000 0.279 225 P C -0.494 176.656 177.300 -0.250 0.000 1.276 225 P CA -0.441 62.621 63.100 -0.063 0.000 0.801 225 P CB 1.280 32.801 31.700 -0.298 0.000 1.127 226 V N 1.084 120.758 119.914 -0.401 0.000 2.350 226 V HA 0.261 4.382 4.120 0.001 0.000 0.285 226 V C 0.060 175.857 176.094 -0.497 0.000 1.014 226 V CA -0.408 61.632 62.300 -0.432 0.000 0.831 226 V CB 0.100 31.726 31.823 -0.330 0.000 1.000 226 V HN 0.318 nan 8.190 nan 0.000 0.433 227 F N 2.742 122.599 119.950 -0.153 0.000 2.418 227 F HA 0.554 5.081 4.527 0.001 0.000 0.341 227 F C 1.112 176.843 175.800 -0.115 0.000 1.120 227 F CA -0.112 57.801 58.000 -0.145 0.000 1.232 227 F CB 0.742 39.663 39.000 -0.132 0.000 1.175 227 F HN 0.565 nan 8.300 nan 0.000 0.569 228 A N 4.606 127.454 122.820 0.048 0.000 2.511 228 A HA 0.276 4.596 4.320 0.001 0.000 0.242 228 A C -2.043 175.588 177.584 0.079 0.000 1.069 228 A CA -1.258 50.796 52.037 0.029 0.000 0.763 228 A CB -0.867 18.145 19.000 0.021 0.000 1.001 228 A HN 0.514 nan 8.150 nan 0.000 0.498 229 P HA 0.126 nan 4.420 nan 0.000 0.262 229 P C -2.339 175.024 177.300 0.105 0.000 1.182 229 P CA -0.597 62.551 63.100 0.081 0.000 0.761 229 P CB -0.404 31.338 31.700 0.071 0.000 0.795 230 P HA -0.087 nan 4.420 nan 0.000 0.266 230 P C -0.264 177.131 177.300 0.158 0.000 1.186 230 P CA 0.090 63.263 63.100 0.121 0.000 0.767 230 P CB 0.228 31.980 31.700 0.086 0.000 0.820 231 Y N 1.701 122.041 120.300 0.066 0.000 2.632 231 Y HA -0.006 4.544 4.550 0.001 0.000 0.329 231 Y C 0.431 176.371 175.900 0.067 0.000 1.174 231 Y CA 0.290 58.434 58.100 0.073 0.000 1.469 231 Y CB 0.066 38.562 38.460 0.059 0.000 1.242 231 Y HN 0.339 nan 8.280 nan 0.000 0.540 232 E N 8.488 128.387 120.200 -0.502 0.000 2.081 232 E HA 0.309 4.660 4.350 0.001 0.000 0.276 232 E C -2.397 173.727 176.600 -0.793 0.000 0.950 232 E CA -1.940 54.201 56.400 -0.432 0.000 0.776 232 E CB 0.710 30.311 29.700 -0.166 0.000 1.094 232 E HN 0.506 nan 8.360 nan 0.000 0.402 233 P HA -0.017 nan 4.420 nan 0.000 0.269 233 P C -0.520 176.654 177.300 -0.209 0.000 1.209 233 P CA -0.141 62.722 63.100 -0.394 0.000 0.776 233 P CB 0.547 32.170 31.700 -0.128 0.000 0.876 234 L N 4.707 125.866 121.223 -0.107 0.000 2.525 234 L HA 0.094 4.435 4.340 0.001 0.000 0.278 234 L C -1.261 175.492 176.870 -0.194 0.000 1.218 234 L CA -1.274 53.468 54.840 -0.164 0.000 0.878 234 L CB -0.413 41.575 42.059 -0.118 0.000 1.127 234 L HN 0.362 nan 8.230 nan 0.000 0.492 235 P HA 0.025 nan 4.420 nan 0.000 0.275 235 P C 0.002 177.200 177.300 -0.170 0.000 1.270 235 P CA -0.406 62.574 63.100 -0.201 0.000 0.791 235 P CB 0.467 32.039 31.700 -0.213 0.000 1.089 236 E N 0.860 120.993 120.200 -0.112 0.000 2.077 236 E HA -0.232 4.118 4.350 0.001 0.000 0.193 236 E C 1.396 177.943 176.600 -0.088 0.000 0.989 236 E CA 1.701 58.052 56.400 -0.083 0.000 0.800 236 E CB -1.437 28.231 29.700 -0.052 0.000 0.746 236 E HN 0.495 nan 8.360 nan 0.000 0.452 237 N N 1.418 120.061 118.700 -0.096 0.000 2.515 237 N HA -0.056 4.684 4.740 0.001 0.000 0.185 237 N C -0.222 175.232 175.510 -0.093 0.000 1.109 237 N CA 0.316 53.322 53.050 -0.073 0.000 0.903 237 N CB 0.095 38.557 38.487 -0.041 0.000 0.969 237 N HN 0.071 nan 8.380 nan 0.000 0.450 238 V N 1.399 121.210 119.914 -0.171 0.000 2.334 238 V HA 0.222 4.342 4.120 0.001 0.000 0.267 238 V C 0.056 176.087 176.094 -0.105 0.000 1.040 238 V CA -0.528 61.665 62.300 -0.177 0.000 0.866 238 V CB 0.591 32.172 31.823 -0.402 0.000 1.019 238 V HN 0.039 nan 8.190 nan 0.000 0.468 239 K N 3.961 124.314 120.400 -0.077 0.000 2.156 239 K HA 0.614 4.934 4.320 0.001 0.000 0.254 239 K C -0.928 175.572 176.600 -0.167 0.000 0.950 239 K CA -0.418 55.750 56.287 -0.199 0.000 0.849 239 K CB 1.658 33.908 32.500 -0.417 0.000 1.100 239 K HN 0.483 nan 8.250 nan 0.000 0.434 240 F N 3.076 122.812 119.950 -0.357 0.000 2.467 240 F HA 0.442 4.969 4.527 0.001 0.000 0.336 240 F C -1.411 174.199 175.800 -0.316 0.000 1.123 240 F CA -0.700 57.173 58.000 -0.210 0.000 0.964 240 F CB 0.702 39.663 39.000 -0.065 0.000 1.136 240 F HN 0.448 nan 8.300 nan 0.000 0.447 241 Y N 6.082 125.973 120.300 -0.682 0.000 2.335 241 Y HA 0.387 4.937 4.550 0.001 0.000 0.338 241 Y C -1.253 174.249 175.900 -0.662 0.000 0.977 241 Y CA -0.932 56.868 58.100 -0.501 0.000 1.114 241 Y CB 1.297 39.600 38.460 -0.261 0.000 1.182 241 Y HN 0.565 nan 8.280 nan 0.000 0.463 242 Y N 3.660 123.766 120.300 -0.323 0.000 2.328 242 Y HA 0.343 4.893 4.550 0.001 0.000 0.333 242 Y C 0.210 176.072 175.900 -0.063 0.000 0.958 242 Y CA -1.329 56.648 58.100 -0.205 0.000 1.167 242 Y CB 0.871 39.287 38.460 -0.072 0.000 1.151 242 Y HN 0.796 nan 8.280 nan 0.000 0.470 243 D N 4.363 124.424 120.400 -0.564 0.000 2.837 243 D HA -0.206 4.434 4.640 0.001 0.000 0.230 243 D C 1.103 177.302 176.300 -0.169 0.000 1.152 243 D CA 2.123 55.882 54.000 -0.401 0.000 0.736 243 D CB -1.107 39.423 40.800 -0.450 0.000 1.084 243 D HN 1.273 nan 8.370 nan 0.000 0.429 244 G N -1.010 107.717 108.800 -0.121 0.000 2.383 244 G HA2 -0.363 3.597 3.960 0.001 0.000 0.229 244 G HA3 -0.363 3.597 3.960 0.001 0.000 0.229 244 G C 0.482 175.418 174.900 0.059 0.000 1.089 244 G CA 0.500 45.556 45.100 -0.075 0.000 0.640 244 G HN 0.585 nan 8.290 nan 0.000 0.510 245 K N 0.867 121.311 120.400 0.073 0.000 2.355 245 K HA 0.470 4.791 4.320 0.001 0.000 0.270 245 K C 0.563 177.265 176.600 0.171 0.000 1.003 245 K CA -0.072 56.289 56.287 0.124 0.000 0.957 245 K CB 1.546 34.104 32.500 0.096 0.000 0.939 245 K HN 0.168 nan 8.250 nan 0.000 0.482 246 V N 3.773 123.764 119.914 0.128 0.000 2.686 246 V HA 0.397 4.517 4.120 0.001 0.000 0.295 246 V C 0.071 176.161 176.094 -0.007 0.000 1.057 246 V CA -0.474 61.807 62.300 -0.031 0.000 1.012 246 V CB 0.769 32.556 31.823 -0.060 0.000 1.006 246 V HN 0.868 nan 8.190 nan 0.000 0.477 247 M N 2.113 121.703 119.600 -0.017 0.000 2.490 247 M HA 0.713 5.193 4.480 0.001 0.000 0.286 247 M C -1.400 174.968 176.300 0.114 0.000 1.185 247 M CA -0.940 54.404 55.300 0.073 0.000 0.912 247 M CB 2.189 34.866 32.600 0.129 0.000 1.744 247 M HN 0.327 nan 8.290 nan 0.000 0.494 248 K N 2.680 123.121 120.400 0.068 0.000 2.265 248 K HA 0.736 5.056 4.320 0.001 0.000 0.267 248 K C -1.761 174.863 176.600 0.040 0.000 0.994 248 K CA -0.341 55.976 56.287 0.051 0.000 0.860 248 K CB 1.068 33.577 32.500 0.014 0.000 1.099 248 K HN 0.831 nan 8.250 nan 0.000 0.448 249 L N 2.896 124.133 121.223 0.024 0.000 2.418 249 L HA 0.371 4.711 4.340 0.001 0.000 0.265 249 L C 0.540 177.412 176.870 0.003 0.000 1.143 249 L CA -0.803 54.028 54.840 -0.015 0.000 0.809 249 L CB 1.289 43.307 42.059 -0.068 0.000 1.124 249 L HN 0.804 nan 8.230 nan 0.000 0.456 250 S N 0.833 116.527 115.700 -0.011 0.000 2.589 250 S HA 0.155 4.625 4.470 0.001 0.000 0.265 250 S C -1.909 172.711 174.600 0.032 0.000 1.342 250 S CA -0.964 57.238 58.200 0.003 0.000 1.005 250 S CB 0.604 63.791 63.200 -0.023 0.000 0.909 250 S HN 0.430 nan 8.310 nan 0.000 0.555 251 P HA -0.079 nan 4.420 nan 0.000 0.216 251 P C 1.190 178.489 177.300 -0.002 0.000 1.150 251 P CA 1.345 64.517 63.100 0.121 0.000 0.843 251 P CB 0.092 31.881 31.700 0.149 0.000 0.787 252 K N -1.116 119.270 120.400 -0.024 0.000 2.167 252 K HA 0.055 4.375 4.320 0.001 0.000 0.203 252 K C 1.949 178.515 176.600 -0.058 0.000 1.052 252 K CA 1.175 57.423 56.287 -0.064 0.000 0.956 252 K CB -0.274 32.205 32.500 -0.034 0.000 0.735 252 K HN 0.034 nan 8.250 nan 0.000 0.451 253 A N 0.651 123.466 122.820 -0.008 0.000 2.081 253 A HA -0.061 4.259 4.320 0.001 0.000 0.214 253 A C 1.812 179.505 177.584 0.181 0.000 1.158 253 A CA 0.678 52.787 52.037 0.120 0.000 0.724 253 A CB -0.044 18.966 19.000 0.018 0.000 0.826 253 A HN 0.267 nan 8.150 nan 0.000 0.463 254 E N -0.075 120.133 120.200 0.015 0.000 2.112 254 E HA -0.157 4.193 4.350 0.001 0.000 0.190 254 E C 1.878 178.369 176.600 -0.182 0.000 0.979 254 E CA 0.869 57.266 56.400 -0.004 0.000 0.814 254 E CB -0.071 29.686 29.700 0.096 0.000 0.762 254 E HN 0.724 nan 8.360 nan 0.000 0.460 255 E N -0.033 119.861 120.200 -0.511 0.000 2.110 255 E HA -0.146 4.205 4.350 0.001 0.000 0.193 255 E C 1.853 177.830 176.600 -1.037 0.000 0.988 255 E CA 1.114 56.884 56.400 -1.049 0.000 0.804 255 E CB 0.289 29.241 29.700 -1.248 0.000 0.745 255 E HN 0.144 nan 8.360 nan 0.000 0.458 256 V N 0.592 120.212 119.914 -0.491 0.000 2.871 256 V HA -0.065 4.055 4.120 0.001 0.000 0.256 256 V C 2.162 178.124 176.094 -0.219 0.000 1.082 256 V CA 1.254 63.407 62.300 -0.245 0.000 1.105 256 V CB -0.036 31.795 31.823 0.013 0.000 0.713 256 V HN 0.351 nan 8.190 nan 0.000 0.473 257 A N 1.147 123.811 122.820 -0.259 0.000 1.930 257 A HA -0.133 4.187 4.320 0.001 0.000 0.215 257 A C 2.504 180.100 177.584 0.020 0.000 1.176 257 A CA 1.887 53.855 52.037 -0.116 0.000 0.632 257 A CB -0.819 18.184 19.000 0.006 0.000 0.819 257 A HN 0.583 nan 8.150 nan 0.000 0.445 258 T N -2.470 112.024 114.554 -0.100 0.000 2.759 258 T HA -0.167 4.184 4.350 0.001 0.000 0.269 258 T C 1.571 176.218 174.700 -0.089 0.000 1.042 258 T CA 1.569 63.654 62.100 -0.026 0.000 1.140 258 T CB -0.639 68.191 68.868 -0.063 0.000 0.864 258 T HN 0.191 nan 8.240 nan 0.000 0.455 259 F N 0.813 120.731 119.950 -0.054 0.000 2.134 259 F HA 0.168 4.695 4.527 0.001 0.000 0.299 259 F C 2.102 177.845 175.800 -0.095 0.000 1.097 259 F CA -0.386 57.572 58.000 -0.069 0.000 1.264 259 F CB -1.424 37.582 39.000 0.011 0.000 1.001 259 F HN 0.171 nan 8.300 nan 0.000 0.479 260 F N 0.687 120.520 119.950 -0.195 0.000 2.163 260 F HA 0.018 4.545 4.527 0.001 0.000 0.297 260 F C 2.347 177.882 175.800 -0.441 0.000 1.094 260 F CA 1.078 58.753 58.000 -0.542 0.000 1.290 260 F CB -0.678 37.580 39.000 -1.236 0.000 1.017 260 F HN -0.084 nan 8.300 nan 0.000 0.483 261 A N 0.090 122.756 122.820 -0.257 0.000 1.972 261 A HA -0.204 4.117 4.320 0.001 0.000 0.219 261 A C 2.214 179.750 177.584 -0.081 0.000 1.169 261 A CA 1.783 53.760 52.037 -0.100 0.000 0.635 261 A CB -0.631 18.532 19.000 0.272 0.000 0.810 261 A HN 0.448 nan 8.150 nan 0.000 0.446 262 K N -1.153 119.192 120.400 -0.092 0.000 2.217 262 K HA 0.106 4.426 4.320 0.001 0.000 0.202 262 K C 1.672 178.201 176.600 -0.120 0.000 1.051 262 K CA 1.192 57.423 56.287 -0.094 0.000 0.952 262 K CB -0.126 32.289 32.500 -0.140 0.000 0.736 262 K HN 0.499 nan 8.250 nan 0.000 0.453 263 M N 0.187 119.679 119.600 -0.180 0.000 2.509 263 M HA 0.006 4.486 4.480 0.001 0.000 0.250 263 M C 1.445 177.504 176.300 -0.402 0.000 1.132 263 M CA 0.192 55.395 55.300 -0.162 0.000 1.080 263 M CB 0.138 32.700 32.600 -0.063 0.000 1.408 263 M HN 0.027 nan 8.290 nan 0.000 0.484 264 L N 1.279 122.195 121.223 -0.510 0.000 2.270 264 L HA -0.269 4.071 4.340 0.001 0.000 0.217 264 L C 1.598 178.228 176.870 -0.400 0.000 1.107 264 L CA 1.795 56.319 54.840 -0.527 0.000 0.772 264 L CB -0.616 41.203 42.059 -0.401 0.000 0.902 264 L HN 0.282 nan 8.230 nan 0.000 0.439 265 D N -2.028 118.127 120.400 -0.408 0.000 2.183 265 D HA -0.093 4.547 4.640 0.001 0.000 0.203 265 D C 0.751 176.779 176.300 -0.454 0.000 0.969 265 D CA 0.574 54.333 54.000 -0.402 0.000 0.842 265 D CB -0.223 40.306 40.800 -0.451 0.000 0.957 265 D HN 0.467 nan 8.370 nan 0.000 0.484 266 H N 1.062 119.836 119.070 -0.494 0.000 2.745 266 H HA -0.016 4.540 4.556 0.001 0.000 0.373 266 H C 1.884 176.862 175.328 -0.583 0.000 1.226 266 H CA -0.073 55.584 56.048 -0.651 0.000 1.435 266 H CB 0.975 29.977 29.762 -1.267 0.000 1.461 266 H HN -0.010 nan 8.280 nan 0.000 0.616 267 E N 2.269 122.295 120.200 -0.291 0.000 2.107 267 E HA -0.208 4.142 4.350 0.001 0.000 0.191 267 E C 1.840 178.328 176.600 -0.188 0.000 0.982 267 E CA 1.308 57.598 56.400 -0.183 0.000 0.809 267 E CB -0.772 28.887 29.700 -0.067 0.000 0.756 267 E HN 0.912 nan 8.360 nan 0.000 0.459 268 Y N 2.367 122.526 120.300 -0.235 0.000 2.333 268 Y HA -0.056 4.494 4.550 0.001 0.000 0.290 268 Y C 2.341 177.885 175.900 -0.594 0.000 1.144 268 Y CA 1.332 59.211 58.100 -0.368 0.000 1.228 268 Y CB -1.318 36.886 38.460 -0.428 0.000 0.985 268 Y HN 0.048 nan 8.280 nan 0.000 0.542 269 T N -2.499 111.695 114.554 -0.600 0.000 3.163 269 T HA -0.052 4.298 4.350 0.001 0.000 0.260 269 T C 1.199 175.856 174.700 -0.070 0.000 1.156 269 T CA 0.914 62.724 62.100 -0.484 0.000 1.072 269 T CB -0.818 67.656 68.868 -0.657 0.000 0.937 269 T HN 0.632 nan 8.240 nan 0.000 0.528 270 T N -2.307 112.215 114.554 -0.053 0.000 3.001 270 T HA 0.309 4.659 4.350 0.001 0.000 0.251 270 T C 0.602 175.363 174.700 0.101 0.000 1.040 270 T CA -0.524 61.602 62.100 0.043 0.000 0.985 270 T CB 0.019 68.889 68.868 0.003 0.000 1.011 270 T HN 0.285 nan 8.240 nan 0.000 0.509 271 K N 1.840 122.312 120.400 0.120 0.000 2.382 271 K HA 0.158 4.478 4.320 0.001 0.000 0.275 271 K C 1.110 177.849 176.600 0.232 0.000 1.009 271 K CA -0.110 56.279 56.287 0.169 0.000 0.970 271 K CB 1.068 33.681 32.500 0.190 0.000 0.934 271 K HN 0.257 nan 8.250 nan 0.000 0.479 272 E N 2.079 122.390 120.200 0.185 0.000 2.077 272 E HA -0.209 4.141 4.350 0.001 0.000 0.193 272 E C 1.464 178.193 176.600 0.215 0.000 0.989 272 E CA 1.327 57.837 56.400 0.184 0.000 0.800 272 E CB 0.079 29.859 29.700 0.133 0.000 0.746 272 E HN 0.501 nan 8.360 nan 0.000 0.452 273 I N 0.265 120.963 120.570 0.212 0.000 2.286 273 I HA -0.210 3.961 4.170 0.001 0.000 0.248 273 I C 2.128 178.397 176.117 0.253 0.000 1.115 273 I CA 0.967 62.390 61.300 0.205 0.000 1.392 273 I CB -0.478 37.632 38.000 0.184 0.000 1.065 273 I HN 0.130 nan 8.210 nan 0.000 0.418 274 F N 1.795 121.857 119.950 0.186 0.000 2.075 274 F HA -0.174 4.353 4.527 0.001 0.000 0.297 274 F C 2.669 178.650 175.800 0.300 0.000 1.113 274 F CA 1.623 59.762 58.000 0.230 0.000 1.218 274 F CB -0.165 38.978 39.000 0.238 0.000 0.984 274 F HN -0.177 nan 8.300 nan 0.000 0.472 275 R N 0.097 120.918 120.500 0.536 0.000 2.189 275 R HA -0.128 4.213 4.340 0.001 0.000 0.223 275 R C 2.220 178.721 176.300 0.334 0.000 1.092 275 R CA 1.248 57.621 56.100 0.455 0.000 0.989 275 R CB -0.285 30.245 30.300 0.383 0.000 0.876 275 R HN 0.303 nan 8.270 nan 0.000 0.457 276 K N 1.035 121.589 120.400 0.257 0.000 2.007 276 K HA -0.080 4.241 4.320 0.001 0.000 0.206 276 K C 1.438 178.153 176.600 0.191 0.000 1.047 276 K CA 1.538 57.953 56.287 0.214 0.000 0.937 276 K CB 0.008 32.605 32.500 0.162 0.000 0.718 276 K HN 0.143 nan 8.250 nan 0.000 0.438 277 N N -0.118 118.661 118.700 0.132 0.000 2.084 277 N HA -0.181 4.560 4.740 0.001 0.000 0.190 277 N C 1.702 177.232 175.510 0.033 0.000 1.030 277 N CA 1.421 54.506 53.050 0.059 0.000 0.849 277 N CB -0.236 38.260 38.487 0.016 0.000 1.012 277 N HN 0.122 nan 8.380 nan 0.000 0.423 278 F N 1.073 120.976 119.950 -0.079 0.000 2.091 278 F HA -0.200 4.327 4.527 0.001 0.000 0.299 278 F C 1.930 177.809 175.800 0.132 0.000 1.103 278 F CA 1.287 59.247 58.000 -0.067 0.000 1.228 278 F CB -0.532 38.377 39.000 -0.152 0.000 0.984 278 F HN -0.004 nan 8.300 nan 0.000 0.477 279 F N 1.132 120.979 119.950 -0.172 0.000 2.234 279 F HA -0.074 4.453 4.527 0.001 0.000 0.299 279 F C 2.445 178.189 175.800 -0.093 0.000 1.087 279 F CA 1.714 59.655 58.000 -0.098 0.000 1.340 279 F CB -0.616 38.451 39.000 0.111 0.000 1.031 279 F HN -0.021 nan 8.300 nan 0.000 0.500 280 K N -0.083 120.276 120.400 -0.067 0.000 2.057 280 K HA -0.158 4.162 4.320 0.001 0.000 0.206 280 K C 1.436 177.920 176.600 -0.193 0.000 1.050 280 K CA 1.845 58.057 56.287 -0.126 0.000 0.935 280 K CB -0.165 32.317 32.500 -0.030 0.000 0.715 280 K HN 0.099 nan 8.250 nan 0.000 0.439 281 D N -0.837 119.453 120.400 -0.183 0.000 2.317 281 D HA -0.107 4.533 4.640 0.001 0.000 0.211 281 D C 1.154 177.348 176.300 -0.178 0.000 0.966 281 D CA 0.400 54.303 54.000 -0.161 0.000 0.876 281 D CB 0.007 40.740 40.800 -0.111 0.000 0.927 281 D HN 0.334 nan 8.370 nan 0.000 0.519 282 W N 1.699 122.644 121.300 -0.592 0.000 2.441 282 W HA 0.072 4.733 4.660 0.001 0.000 0.302 282 W C 1.902 178.136 176.519 -0.476 0.000 1.191 282 W CA 0.721 57.705 57.345 -0.601 0.000 1.327 282 W CB -0.371 28.585 29.460 -0.840 0.000 1.128 282 W HN -0.183 nan 8.180 nan 0.000 0.522 283 R N 0.250 120.405 120.500 -0.576 0.000 2.105 283 R HA -0.195 4.146 4.340 0.001 0.000 0.239 283 R C 2.085 178.170 176.300 -0.358 0.000 1.135 283 R CA 1.734 57.473 56.100 -0.601 0.000 0.967 283 R CB -0.383 29.540 30.300 -0.628 0.000 0.861 283 R HN -0.016 nan 8.270 nan 0.000 0.442 284 K N 0.634 120.880 120.400 -0.257 0.000 2.097 284 K HA -0.159 4.161 4.320 0.001 0.000 0.206 284 K C 1.481 177.999 176.600 -0.136 0.000 1.049 284 K CA 1.259 57.446 56.287 -0.166 0.000 0.933 284 K CB 0.098 32.524 32.500 -0.123 0.000 0.717 284 K HN -0.061 nan 8.250 nan 0.000 0.442 285 E N -0.485 119.640 120.200 -0.126 0.000 2.476 285 E HA 0.134 4.484 4.350 0.001 0.000 0.191 285 E C -0.265 176.263 176.600 -0.120 0.000 1.064 285 E CA 0.078 56.429 56.400 -0.082 0.000 0.866 285 E CB 0.192 29.887 29.700 -0.008 0.000 0.952 285 E HN 0.196 nan 8.360 nan 0.000 0.492 286 M N -0.443 119.032 119.600 -0.209 0.000 2.494 286 M HA 0.243 4.724 4.480 0.001 0.000 0.300 286 M C 0.714 176.907 176.300 -0.179 0.000 1.189 286 M CA -0.574 54.578 55.300 -0.246 0.000 0.982 286 M CB 1.359 33.719 32.600 -0.400 0.000 1.534 286 M HN -0.027 nan 8.290 nan 0.000 0.488 287 T N -2.878 111.578 114.554 -0.163 0.000 2.810 287 T HA 0.254 4.604 4.350 0.001 0.000 0.277 287 T C 0.542 175.163 174.700 -0.132 0.000 0.973 287 T CA -0.574 61.453 62.100 -0.122 0.000 0.949 287 T CB 0.495 69.305 68.868 -0.096 0.000 1.075 287 T HN 0.707 nan 8.240 nan 0.000 0.537 288 N N -0.455 118.184 118.700 -0.102 0.000 2.396 288 N HA -0.046 4.694 4.740 0.001 0.000 0.180 288 N C 1.920 177.372 175.510 -0.098 0.000 1.028 288 N CA 0.498 53.490 53.050 -0.096 0.000 0.893 288 N CB 0.050 38.494 38.487 -0.072 0.000 0.967 288 N HN 0.805 nan 8.380 nan 0.000 0.440 289 E N 1.137 121.280 120.200 -0.095 0.000 2.046 289 E HA -0.177 4.174 4.350 0.001 0.000 0.190 289 E C 1.263 177.788 176.600 -0.124 0.000 0.982 289 E CA 0.970 57.317 56.400 -0.089 0.000 0.800 289 E CB 0.137 29.795 29.700 -0.071 0.000 0.756 289 E HN 0.370 nan 8.360 nan 0.000 0.449 290 E N 0.614 120.719 120.200 -0.159 0.000 2.110 290 E HA -0.159 4.191 4.350 0.001 0.000 0.193 290 E C 2.140 178.571 176.600 -0.282 0.000 0.988 290 E CA 1.003 57.264 56.400 -0.231 0.000 0.804 290 E CB 0.052 29.591 29.700 -0.267 0.000 0.745 290 E HN 0.144 nan 8.360 nan 0.000 0.458 291 K N 0.484 120.734 120.400 -0.250 0.000 2.147 291 K HA -0.105 4.215 4.320 0.001 0.000 0.205 291 K C 1.678 178.178 176.600 -0.166 0.000 1.049 291 K CA 1.058 57.202 56.287 -0.239 0.000 0.936 291 K CB 0.024 32.406 32.500 -0.196 0.000 0.722 291 K HN 0.035 nan 8.250 nan 0.000 0.446 292 N N 0.498 119.118 118.700 -0.134 0.000 2.300 292 N HA -0.014 4.726 4.740 0.001 0.000 0.179 292 N C 1.682 177.141 175.510 -0.084 0.000 1.016 292 N CA 0.866 53.864 53.050 -0.087 0.000 0.876 292 N CB 0.073 38.521 38.487 -0.065 0.000 0.979 292 N HN 0.168 nan 8.380 nan 0.000 0.432 293 I N 0.476 120.960 120.570 -0.144 0.000 2.364 293 I HA 0.015 4.185 4.170 0.001 0.000 0.241 293 I C 0.440 176.348 176.117 -0.349 0.000 1.082 293 I CA 0.426 61.621 61.300 -0.175 0.000 1.401 293 I CB -0.011 37.865 38.000 -0.206 0.000 1.126 293 I HN -0.117 nan 8.210 nan 0.000 0.429 294 I N 2.502 122.757 120.570 -0.526 0.000 2.471 294 I HA -0.050 4.121 4.170 0.001 0.000 0.294 294 I C 1.371 177.467 176.117 -0.035 0.000 1.123 294 I CA 0.141 61.096 61.300 -0.574 0.000 1.336 294 I CB 0.309 37.982 38.000 -0.546 0.000 1.430 294 I HN 0.347 nan 8.210 nan 0.000 0.533 295 T N 1.403 116.062 114.554 0.175 0.000 3.040 295 T HA 0.120 4.470 4.350 0.001 0.000 0.252 295 T C 0.439 175.319 174.700 0.299 0.000 1.064 295 T CA -0.076 62.176 62.100 0.254 0.000 1.110 295 T CB -0.164 68.816 68.868 0.187 0.000 0.921 295 T HN 0.670 nan 8.240 nan 0.000 0.480 296 N N -0.451 118.377 118.700 0.213 0.000 2.329 296 N HA 0.493 5.233 4.740 0.001 0.000 0.282 296 N C 0.083 175.489 175.510 -0.173 0.000 1.198 296 N CA -0.990 51.938 53.050 -0.204 0.000 0.790 296 N CB 1.545 39.999 38.487 -0.055 0.000 1.579 296 N HN -0.065 nan 8.380 nan 0.000 0.475 297 L N 1.071 121.983 121.223 -0.518 0.000 2.291 297 L HA 0.167 4.507 4.340 0.001 0.000 0.214 297 L C 1.419 178.418 176.870 0.216 0.000 1.120 297 L CA 1.540 56.395 54.840 0.025 0.000 0.799 297 L CB -0.570 41.477 42.059 -0.020 0.000 0.925 297 L HN 0.783 nan 8.230 nan 0.000 0.446 298 S N -0.572 115.181 115.700 0.089 0.000 2.423 298 S HA -0.134 4.337 4.470 0.001 0.000 0.231 298 S C 1.774 176.420 174.600 0.076 0.000 1.014 298 S CA 1.130 59.392 58.200 0.104 0.000 0.965 298 S CB -0.211 63.017 63.200 0.048 0.000 0.785 298 S HN 0.456 nan 8.310 nan 0.000 0.495 299 K N 0.231 120.642 120.400 0.019 0.000 2.444 299 K HA 0.161 4.481 4.320 0.001 0.000 0.193 299 K C -0.246 176.259 176.600 -0.158 0.000 1.024 299 K CA -0.071 56.106 56.287 -0.184 0.000 1.077 299 K CB 0.045 32.233 32.500 -0.519 0.000 0.833 299 K HN 0.272 nan 8.250 nan 0.000 0.517 300 C N 2.129 121.519 119.300 0.149 0.000 2.499 300 C HA 0.171 4.631 4.460 0.001 0.000 0.386 300 C C 0.192 175.177 174.990 -0.009 0.000 1.293 300 C CA -1.131 57.967 59.018 0.134 0.000 1.884 300 C CB -0.247 27.820 27.740 0.543 0.000 2.509 300 C HN 0.304 nan 8.230 nan 0.000 0.566 301 D N 0.993 121.225 120.400 -0.281 0.000 2.349 301 D HA 0.426 5.066 4.640 0.001 0.000 0.232 301 D C -0.189 176.092 176.300 -0.032 0.000 1.071 301 D CA -0.402 53.568 54.000 -0.051 0.000 0.832 301 D CB 0.393 41.175 40.800 -0.031 0.000 1.086 301 D HN 0.487 nan 8.370 nan 0.000 0.504 302 F N 0.927 121.058 119.950 0.303 0.000 2.653 302 F HA 0.083 4.610 4.527 0.001 0.000 0.304 302 F C 2.301 178.253 175.800 0.253 0.000 1.092 302 F CA -0.169 58.051 58.000 0.367 0.000 1.279 302 F CB 0.326 39.560 39.000 0.391 0.000 1.044 302 F HN 0.365 nan 8.300 nan 0.000 0.564 303 T N -2.735 112.024 114.554 0.341 0.000 3.139 303 T HA -0.157 4.194 4.350 0.001 0.000 0.267 303 T C 1.499 176.324 174.700 0.208 0.000 1.164 303 T CA 1.068 63.302 62.100 0.223 0.000 1.075 303 T CB -0.044 68.904 68.868 0.134 0.000 0.904 303 T HN 0.400 nan 8.240 nan 0.000 0.540 304 Q N -0.901 119.057 119.800 0.264 0.000 2.316 304 Q HA 0.349 4.689 4.340 0.001 0.000 0.235 304 Q C 1.906 178.044 176.000 0.229 0.000 0.863 304 Q CA -0.039 55.901 55.803 0.229 0.000 0.939 304 Q CB 0.195 29.088 28.738 0.258 0.000 1.108 304 Q HN 0.557 nan 8.270 nan 0.000 0.522 305 M N -1.006 118.780 119.600 0.309 0.000 2.394 305 M HA -0.003 4.477 4.480 0.001 0.000 0.266 305 M C 2.079 178.625 176.300 0.410 0.000 1.098 305 M CA 0.662 56.174 55.300 0.353 0.000 1.149 305 M CB 0.206 33.103 32.600 0.495 0.000 1.369 305 M HN -0.043 nan 8.290 nan 0.000 0.450 306 S N 0.056 115.960 115.700 0.339 0.000 2.481 306 S HA -0.070 4.401 4.470 0.001 0.000 0.231 306 S C 1.720 176.436 174.600 0.193 0.000 0.996 306 S CA 1.099 59.452 58.200 0.255 0.000 0.942 306 S CB 0.049 63.341 63.200 0.153 0.000 0.768 306 S HN 0.475 nan 8.310 nan 0.000 0.520 307 Q N -1.433 118.474 119.800 0.179 0.000 2.373 307 Q HA 0.093 4.433 4.340 0.001 0.000 0.210 307 Q C 1.515 177.578 176.000 0.106 0.000 0.913 307 Q CA 0.555 56.430 55.803 0.121 0.000 0.911 307 Q CB -0.077 28.724 28.738 0.106 0.000 1.040 307 Q HN 0.785 nan 8.270 nan 0.000 0.521 308 Y N -0.205 120.076 120.300 -0.032 0.000 2.200 308 Y HA -0.213 4.338 4.550 0.001 0.000 0.290 308 Y C 1.350 177.132 175.900 -0.197 0.000 1.137 308 Y CA 1.373 59.371 58.100 -0.169 0.000 1.163 308 Y CB 0.047 38.309 38.460 -0.330 0.000 0.988 308 Y HN 0.003 nan 8.280 nan 0.000 0.518 309 F N 0.703 120.648 119.950 -0.010 0.000 2.604 309 F HA -0.034 4.493 4.527 0.001 0.000 0.298 309 F C 1.994 177.735 175.800 -0.099 0.000 1.131 309 F CA 1.120 59.062 58.000 -0.096 0.000 1.457 309 F CB -0.247 38.779 39.000 0.044 0.000 1.095 309 F HN 0.013 nan 8.300 nan 0.000 0.574 310 K N -0.763 119.674 120.400 0.061 0.000 2.323 310 K HA 0.217 4.538 4.320 0.001 0.000 0.197 310 K C 1.995 178.576 176.600 -0.032 0.000 1.043 310 K CA 0.697 56.997 56.287 0.022 0.000 0.997 310 K CB 0.095 32.612 32.500 0.028 0.000 0.807 310 K HN 0.158 nan 8.250 nan 0.000 0.497 311 A N 0.696 123.463 122.820 -0.089 0.000 2.095 311 A HA -0.029 4.291 4.320 0.001 0.000 0.212 311 A C 1.826 179.307 177.584 -0.172 0.000 1.162 311 A CA 0.464 52.439 52.037 -0.104 0.000 0.753 311 A CB 0.047 19.001 19.000 -0.076 0.000 0.840 311 A HN 0.179 nan 8.150 nan 0.000 0.468 312 Q N -0.588 119.040 119.800 -0.286 0.000 2.389 312 Q HA -0.052 4.288 4.340 0.001 0.000 0.204 312 Q C 1.331 177.268 176.000 -0.106 0.000 0.944 312 Q CA 1.360 56.990 55.803 -0.287 0.000 0.908 312 Q CB 0.095 28.540 28.738 -0.489 0.000 1.002 312 Q HN 0.586 nan 8.270 nan 0.000 0.493 313 T N 0.646 115.165 114.554 -0.059 0.000 2.978 313 T HA -0.032 4.318 4.350 0.001 0.000 0.262 313 T C 1.308 175.997 174.700 -0.019 0.000 1.063 313 T CA 0.593 62.684 62.100 -0.016 0.000 1.140 313 T CB 0.073 68.943 68.868 0.003 0.000 0.886 313 T HN 0.236 nan 8.240 nan 0.000 0.470 314 E N 1.780 121.963 120.200 -0.029 0.000 2.072 314 E HA 0.007 4.357 4.350 0.001 0.000 0.191 314 E C 2.348 178.938 176.600 -0.018 0.000 0.985 314 E CA 1.058 57.446 56.400 -0.020 0.000 0.801 314 E CB -0.313 29.375 29.700 -0.021 0.000 0.750 314 E HN 0.492 nan 8.360 nan 0.000 0.452 315 A N 0.719 123.522 122.820 -0.028 0.000 2.208 315 A HA -0.014 4.306 4.320 0.001 0.000 0.209 315 A C 2.025 179.602 177.584 -0.011 0.000 1.161 315 A CA 0.415 52.440 52.037 -0.020 0.000 0.782 315 A CB -0.159 18.823 19.000 -0.029 0.000 0.816 315 A HN 0.004 nan 8.150 nan 0.000 0.477 316 R N 0.342 120.835 120.500 -0.011 0.000 2.128 316 R HA 0.001 4.341 4.340 0.001 0.000 0.211 316 R C 1.773 178.077 176.300 0.006 0.000 1.067 316 R CA 1.241 57.342 56.100 0.001 0.000 1.010 316 R CB -0.042 30.261 30.300 0.005 0.000 0.922 316 R HN 0.585 nan 8.270 nan 0.000 0.457 317 K N -0.564 119.838 120.400 0.004 0.000 2.444 317 K HA 0.039 4.359 4.320 0.001 0.000 0.193 317 K C 0.434 177.038 176.600 0.006 0.000 1.024 317 K CA 0.503 56.794 56.287 0.006 0.000 1.077 317 K CB 0.569 33.072 32.500 0.005 0.000 0.833 317 K HN 0.047 nan 8.250 nan 0.000 0.517 318 Q N 1.321 121.123 119.800 0.004 0.000 2.462 318 Q HA 0.318 4.658 4.340 0.001 0.000 0.395 318 Q C -0.779 175.225 176.000 0.007 0.000 0.911 318 Q CA -0.285 55.522 55.803 0.005 0.000 1.112 318 Q CB 0.810 29.549 28.738 0.002 0.000 1.350 318 Q HN 0.309 nan 8.270 nan 0.000 0.407 319 M N 0.237 119.843 119.600 0.010 0.000 2.245 319 M HA 0.271 4.752 4.480 0.001 0.000 0.292 319 M C 0.740 177.048 176.300 0.013 0.000 1.176 319 M CA -0.264 55.043 55.300 0.012 0.000 1.035 319 M CB 1.084 33.694 32.600 0.016 0.000 1.440 319 M HN 0.162 nan 8.290 nan 0.000 0.494 320 S N -0.370 115.338 115.700 0.014 0.000 2.652 320 S HA 0.247 4.717 4.470 0.001 0.000 0.270 320 S C 0.610 175.220 174.600 0.016 0.000 1.243 320 S CA -0.788 57.421 58.200 0.014 0.000 0.999 320 S CB 1.312 64.521 63.200 0.014 0.000 0.973 320 S HN 0.770 nan 8.310 nan 0.000 0.544 321 K N 0.432 120.842 120.400 0.016 0.000 2.209 321 K HA -0.099 4.221 4.320 0.001 0.000 0.204 321 K C 1.735 178.346 176.600 0.019 0.000 1.048 321 K CA 1.470 57.767 56.287 0.017 0.000 0.940 321 K CB -0.115 32.395 32.500 0.016 0.000 0.729 321 K HN 0.766 nan 8.250 nan 0.000 0.451 322 E N -0.319 119.892 120.200 0.019 0.000 2.250 322 E HA -0.072 4.279 4.350 0.001 0.000 0.192 322 E C 1.302 177.916 176.600 0.022 0.000 0.986 322 E CA 0.425 56.837 56.400 0.020 0.000 0.849 322 E CB 0.381 30.092 29.700 0.018 0.000 0.797 322 E HN 0.248 nan 8.360 nan 0.000 0.482 323 E N 0.454 120.667 120.200 0.022 0.000 2.478 323 E HA -0.023 4.327 4.350 0.001 0.000 0.194 323 E C 1.428 178.044 176.600 0.026 0.000 1.045 323 E CA 0.349 56.763 56.400 0.024 0.000 0.868 323 E CB 0.384 30.097 29.700 0.021 0.000 0.885 323 E HN 0.096 nan 8.360 nan 0.000 0.505 324 K N 0.283 120.698 120.400 0.025 0.000 2.276 324 K HA 0.153 4.473 4.320 0.001 0.000 0.198 324 K C 1.900 178.518 176.600 0.031 0.000 1.052 324 K CA -0.009 56.294 56.287 0.027 0.000 0.984 324 K CB 0.350 32.864 32.500 0.024 0.000 0.836 324 K HN -0.004 nan 8.250 nan 0.000 0.490 325 L N 1.002 122.243 121.223 0.030 0.000 2.492 325 L HA 0.021 4.361 4.340 0.001 0.000 0.223 325 L C 2.083 178.974 176.870 0.035 0.000 1.132 325 L CA 0.675 55.534 54.840 0.032 0.000 0.850 325 L CB 0.080 42.156 42.059 0.028 0.000 0.966 325 L HN 0.039 nan 8.230 nan 0.000 0.454 326 K N -0.285 120.135 120.400 0.034 0.000 2.137 326 K HA -0.124 4.197 4.320 0.001 0.000 0.202 326 K C 1.918 178.544 176.600 0.043 0.000 1.052 326 K CA 1.001 57.310 56.287 0.037 0.000 0.961 326 K CB 0.131 32.651 32.500 0.033 0.000 0.741 326 K HN 0.186 nan 8.250 nan 0.000 0.452 327 I N 1.388 121.984 120.570 0.043 0.000 2.761 327 I HA -0.116 4.055 4.170 0.001 0.000 0.261 327 I C 1.923 178.073 176.117 0.055 0.000 1.198 327 I CA 0.983 62.312 61.300 0.049 0.000 1.482 327 I CB 0.058 38.084 38.000 0.044 0.000 1.100 327 I HN 0.018 nan 8.210 nan 0.000 0.445 328 K N 0.421 120.852 120.400 0.051 0.000 2.288 328 K HA -0.070 4.250 4.320 0.001 0.000 0.201 328 K C 1.557 178.194 176.600 0.062 0.000 1.048 328 K CA 1.011 57.331 56.287 0.055 0.000 0.956 328 K CB 0.158 32.687 32.500 0.047 0.000 0.746 328 K HN 0.454 nan 8.250 nan 0.000 0.461 329 E N -0.272 119.963 120.200 0.058 0.000 2.400 329 E HA -0.038 4.312 4.350 0.001 0.000 0.195 329 E C 1.305 177.948 176.600 0.072 0.000 1.012 329 E CA 0.143 56.579 56.400 0.061 0.000 0.875 329 E CB 0.418 30.148 29.700 0.050 0.000 0.859 329 E HN 0.298 nan 8.360 nan 0.000 0.498 330 E N 0.578 120.823 120.200 0.075 0.000 2.170 330 E HA -0.022 4.329 4.350 0.001 0.000 0.191 330 E C 1.702 178.369 176.600 0.112 0.000 0.981 330 E CA 0.259 56.712 56.400 0.088 0.000 0.830 330 E CB 0.212 29.959 29.700 0.078 0.000 0.775 330 E HN 0.117 nan 8.360 nan 0.000 0.470 331 N N 0.710 119.476 118.700 0.110 0.000 2.416 331 N HA -0.101 4.640 4.740 0.001 0.000 0.177 331 N C 1.457 177.061 175.510 0.156 0.000 1.036 331 N CA 0.561 53.694 53.050 0.138 0.000 0.901 331 N CB 0.275 38.831 38.487 0.114 0.000 0.976 331 N HN 0.220 nan 8.380 nan 0.000 0.444 332 E N 1.131 121.404 120.200 0.123 0.000 2.230 332 E HA -0.089 4.262 4.350 0.001 0.000 0.192 332 E C 1.673 178.341 176.600 0.113 0.000 0.987 332 E CA 0.612 57.080 56.400 0.114 0.000 0.841 332 E CB 0.251 30.004 29.700 0.088 0.000 0.783 332 E HN 0.377 nan 8.360 nan 0.000 0.481 333 K N -0.045 120.425 120.400 0.116 0.000 2.305 333 K HA -0.006 4.314 4.320 0.001 0.000 0.199 333 K C 1.922 178.614 176.600 0.153 0.000 1.047 333 K CA 0.390 56.743 56.287 0.110 0.000 0.976 333 K CB 0.055 32.612 32.500 0.095 0.000 0.765 333 K HN 0.118 nan 8.250 nan 0.000 0.474 334 L N 0.796 122.146 121.223 0.212 0.000 2.072 334 L HA -0.075 4.265 4.340 0.001 0.000 0.205 334 L C 2.394 179.375 176.870 0.184 0.000 1.079 334 L CA 0.414 55.456 54.840 0.337 0.000 0.752 334 L CB -0.314 41.979 42.059 0.390 0.000 0.906 334 L HN 0.252 nan 8.230 nan 0.000 0.436 335 L N 0.564 121.831 121.223 0.073 0.000 2.083 335 L HA -0.230 4.111 4.340 0.001 0.000 0.209 335 L C 2.445 179.332 176.870 0.027 0.000 1.083 335 L CA 1.810 56.556 54.840 -0.157 0.000 0.752 335 L CB -0.801 41.277 42.059 0.032 0.000 0.899 335 L HN 0.311 nan 8.230 nan 0.000 0.433 336 K N -0.610 119.866 120.400 0.127 0.000 2.103 336 K HA -0.132 4.188 4.320 0.001 0.000 0.204 336 K C 1.633 178.281 176.600 0.079 0.000 1.052 336 K CA 1.034 57.405 56.287 0.140 0.000 0.945 336 K CB 0.239 32.773 32.500 0.057 0.000 0.722 336 K HN 0.351 nan 8.250 nan 0.000 0.443 337 E N -1.182 119.023 120.200 0.008 0.000 2.364 337 E HA -0.026 4.324 4.350 0.001 0.000 0.196 337 E C 0.829 177.246 176.600 -0.304 0.000 0.990 337 E CA 0.477 56.780 56.400 -0.163 0.000 0.886 337 E CB 0.443 29.984 29.700 -0.264 0.000 0.866 337 E HN 0.349 nan 8.360 nan 0.000 0.493 338 Y N -1.071 119.207 120.300 -0.035 0.000 2.512 338 Y HA 0.242 4.793 4.550 0.001 0.000 0.268 338 Y C 2.190 177.915 175.900 -0.291 0.000 1.102 338 Y CA 0.295 58.362 58.100 -0.055 0.000 1.261 338 Y CB 0.396 38.910 38.460 0.091 0.000 1.250 338 Y HN -0.003 nan 8.280 nan 0.000 0.506 339 G N -0.564 107.904 108.800 -0.554 0.000 2.848 339 G HA2 0.055 4.015 3.960 0.001 0.000 0.208 339 G HA3 0.055 4.015 3.960 0.001 0.000 0.208 339 G C -0.157 174.356 174.900 -0.644 0.000 1.152 339 G CA 0.413 44.968 45.100 -0.908 0.000 0.789 339 G HN 0.096 nan 8.290 nan 0.000 0.531 340 F N -0.783 119.083 119.950 -0.140 0.000 2.593 340 F HA 0.622 5.149 4.527 0.001 0.000 0.320 340 F C 0.381 176.172 175.800 -0.014 0.000 1.060 340 F CA -1.138 56.828 58.000 -0.057 0.000 0.940 340 F CB 1.961 40.930 39.000 -0.051 0.000 1.268 340 F HN 0.114 nan 8.300 nan 0.000 0.475 341 C N 1.259 120.682 119.300 0.204 0.000 3.241 341 C HA 0.807 5.267 4.460 0.001 0.000 0.312 341 C C -1.649 173.415 174.990 0.123 0.000 1.350 341 C CA -0.993 58.104 59.018 0.132 0.000 1.415 341 C CB 1.336 29.112 27.740 0.060 0.000 1.770 341 C HN 0.589 nan 8.230 nan 0.000 0.466 342 I N 2.659 123.288 120.570 0.098 0.000 2.355 342 I HA 0.491 4.661 4.170 0.001 0.000 0.288 342 I C -0.210 175.975 176.117 0.114 0.000 0.999 342 I CA -0.448 60.926 61.300 0.123 0.000 1.163 342 I CB 1.068 39.180 38.000 0.185 0.000 1.316 342 I HN 0.903 nan 8.210 nan 0.000 0.454 343 M N 6.006 125.666 119.600 0.099 0.000 2.106 343 M HA 0.315 4.796 4.480 0.001 0.000 0.288 343 M C -1.279 175.113 176.300 0.154 0.000 0.941 343 M CA -0.129 55.211 55.300 0.067 0.000 0.934 343 M CB 0.783 33.364 32.600 -0.031 0.000 1.551 343 M HN 0.502 nan 8.290 nan 0.000 0.437 344 D N 4.200 124.733 120.400 0.223 0.000 3.278 344 D HA -0.202 4.438 4.640 0.001 0.000 0.233 344 D C 0.105 176.431 176.300 0.043 0.000 1.149 344 D CA 1.746 55.864 54.000 0.198 0.000 0.957 344 D CB -1.026 39.950 40.800 0.292 0.000 0.913 344 D HN 1.066 nan 8.370 nan 0.000 0.409 345 N N -0.937 117.696 118.700 -0.112 0.000 2.857 345 N HA -0.270 4.470 4.740 0.001 0.000 0.242 345 N C -0.176 174.973 175.510 -0.601 0.000 0.983 345 N CA 1.798 54.645 53.050 -0.339 0.000 0.934 345 N CB -0.573 37.709 38.487 -0.342 0.000 1.115 345 N HN 0.658 nan 8.380 nan 0.000 0.593 346 H N -0.416 118.510 119.070 -0.240 0.000 2.851 346 H HA 0.335 4.892 4.556 0.001 0.000 0.372 346 H C -0.466 174.826 175.328 -0.061 0.000 1.158 346 H CA -0.791 55.110 56.048 -0.246 0.000 1.159 346 H CB 1.607 31.073 29.762 -0.494 0.000 1.757 346 H HN 0.009 nan 8.280 nan 0.000 0.546 347 K N 2.829 123.298 120.400 0.114 0.000 2.262 347 K HA 0.152 4.472 4.320 0.001 0.000 0.282 347 K C -0.660 176.088 176.600 0.246 0.000 1.066 347 K CA -0.330 56.044 56.287 0.145 0.000 0.901 347 K CB 0.581 33.120 32.500 0.065 0.000 1.089 347 K HN 0.539 nan 8.250 nan 0.000 0.476 348 E N 3.298 123.645 120.200 0.245 0.000 2.244 348 E HA 0.223 4.573 4.350 0.001 0.000 0.266 348 E C -0.817 175.899 176.600 0.192 0.000 0.914 348 E CA -1.093 55.444 56.400 0.228 0.000 0.794 348 E CB 2.008 31.799 29.700 0.152 0.000 1.210 348 E HN 0.442 nan 8.360 nan 0.000 0.414 349 R N 1.388 121.935 120.500 0.078 0.000 2.410 349 R HA 0.355 4.696 4.340 0.001 0.000 0.288 349 R C -0.471 175.742 176.300 -0.146 0.000 1.051 349 R CA -0.170 55.804 56.100 -0.211 0.000 1.021 349 R CB 0.358 30.519 30.300 -0.232 0.000 1.032 349 R HN 0.486 nan 8.270 nan 0.000 0.481 350 I N 3.816 124.262 120.570 -0.207 0.000 2.499 350 I HA 0.269 4.439 4.170 0.001 0.000 0.296 350 I C 0.841 176.956 176.117 -0.002 0.000 0.992 350 I CA -0.282 60.977 61.300 -0.068 0.000 1.297 350 I CB 1.895 39.880 38.000 -0.024 0.000 1.410 350 I HN 0.881 nan 8.210 nan 0.000 0.507 351 A N 4.308 127.154 122.820 0.043 0.000 1.859 351 A HA -0.002 4.318 4.320 0.001 0.000 0.212 351 A C 1.050 178.697 177.584 0.105 0.000 1.238 351 A CA 0.848 52.921 52.037 0.059 0.000 0.613 351 A CB -0.261 18.757 19.000 0.030 0.000 0.904 351 A HN 0.723 nan 8.150 nan 0.000 0.457 352 N N 0.162 118.914 118.700 0.085 0.000 2.955 352 N HA 0.351 5.092 4.740 0.001 0.000 0.242 352 N C 0.134 175.683 175.510 0.066 0.000 1.123 352 N CA -0.597 52.472 53.050 0.031 0.000 0.949 352 N CB 0.115 38.625 38.487 0.038 0.000 1.214 352 N HN 0.350 nan 8.380 nan 0.000 0.504 353 F N 1.125 121.063 119.950 -0.021 0.000 2.615 353 F HA 0.305 4.833 4.527 0.000 0.000 0.297 353 F C 0.294 176.044 175.800 -0.084 0.000 1.124 353 F CA -0.368 57.616 58.000 -0.027 0.000 1.451 353 F CB -0.078 38.924 39.000 0.002 0.000 1.103 353 F HN 0.047 nan 8.300 nan 0.000 0.569 354 K N 1.893 121.951 120.400 -0.570 0.000 2.159 354 K HA 0.455 4.775 4.320 0.001 0.000 0.266 354 K C -0.418 175.983 176.600 -0.332 0.000 0.975 354 K CA -0.860 55.132 56.287 -0.491 0.000 0.865 354 K CB 1.991 34.134 32.500 -0.594 0.000 1.087 354 K HN -0.062 nan 8.250 nan 0.000 0.446 355 I N 2.463 122.794 120.570 -0.398 0.000 2.720 355 I HA -0.026 4.144 4.170 0.001 0.000 0.287 355 I C 0.946 176.923 176.117 -0.233 0.000 1.090 355 I CA -0.220 60.840 61.300 -0.399 0.000 1.384 355 I CB 0.489 38.087 38.000 -0.671 0.000 1.420 355 I HN 0.803 nan 8.210 nan 0.000 0.575 356 E N 6.179 126.303 120.200 -0.127 0.000 2.290 356 E HA 0.294 4.644 4.350 0.001 0.000 0.277 356 E C -2.432 174.113 176.600 -0.091 0.000 1.035 356 E CA -1.615 54.738 56.400 -0.078 0.000 0.873 356 E CB -0.026 29.671 29.700 -0.006 0.000 1.029 356 E HN 0.329 nan 8.360 nan 0.000 0.419 357 P HA 0.117 nan 4.420 nan 0.000 0.270 357 P C -2.259 174.978 177.300 -0.105 0.000 1.223 357 P CA -1.166 61.899 63.100 -0.059 0.000 0.785 357 P CB -0.264 31.419 31.700 -0.029 0.000 0.923 358 P HA 0.261 nan 4.420 nan 0.000 0.271 358 P C 0.035 176.930 177.300 -0.675 0.000 1.218 358 P CA 0.385 63.380 63.100 -0.175 0.000 0.780 358 P CB 0.696 32.422 31.700 0.043 0.000 0.901 359 G N 1.128 109.509 108.800 -0.698 0.000 2.634 359 G HA2 0.495 4.455 3.960 0.001 0.000 0.309 359 G HA3 0.495 4.455 3.960 0.001 0.000 0.309 359 G C -1.676 172.968 174.900 -0.427 0.000 1.299 359 G CA -0.853 43.625 45.100 -1.037 0.000 0.798 359 G HN 0.418 nan 8.290 nan 0.000 0.490 360 L N 0.687 121.773 121.223 -0.229 0.000 2.307 360 L HA 0.475 4.815 4.340 0.001 0.000 0.282 360 L C -0.224 176.633 176.870 -0.022 0.000 1.051 360 L CA -0.685 54.160 54.840 0.007 0.000 0.804 360 L CB 1.637 43.793 42.059 0.163 0.000 1.197 360 L HN 0.524 nan 8.230 nan 0.000 0.431 361 F N 2.667 122.547 119.950 -0.116 0.000 2.471 361 F HA 0.151 4.679 4.527 0.001 0.000 0.353 361 F C 0.909 176.614 175.800 -0.157 0.000 1.113 361 F CA 0.318 58.223 58.000 -0.159 0.000 1.262 361 F CB 0.664 39.551 39.000 -0.189 0.000 1.146 361 F HN 0.505 nan 8.300 nan 0.000 0.578 362 R N 3.344 123.112 120.500 -1.220 0.000 2.977 362 R HA 0.419 4.760 4.340 0.001 0.000 0.161 362 R C 0.727 176.413 176.300 -1.023 0.000 0.805 362 R CA 0.910 56.481 56.100 -0.880 0.000 1.044 362 R CB -0.317 29.547 30.300 -0.727 0.000 1.433 362 R HN 1.009 nan 8.270 nan 0.000 0.570 363 G N 1.052 109.185 108.800 -1.112 0.000 2.601 363 G HA2 -0.278 3.682 3.960 0.001 0.000 0.252 363 G HA3 -0.278 3.682 3.960 0.001 0.000 0.252 363 G C -1.148 173.619 174.900 -0.223 0.000 1.294 363 G CA 0.216 44.969 45.100 -0.579 0.000 0.912 363 G HN 0.445 nan 8.290 nan 0.000 0.574 364 R N -0.127 120.374 120.500 0.002 0.000 2.637 364 R HA 0.644 4.984 4.340 0.001 0.000 0.291 364 R C 0.858 177.195 176.300 0.062 0.000 0.963 364 R CA 0.834 56.940 56.100 0.010 0.000 0.901 364 R CB 1.308 31.622 30.300 0.022 0.000 1.160 364 R HN 2.473 nan 8.270 nan 0.000 0.457 365 G N 1.956 110.775 108.800 0.032 0.000 2.553 365 G HA2 -0.325 3.636 3.960 0.001 0.000 0.242 365 G HA3 -0.325 3.636 3.960 0.001 0.000 0.242 365 G C -0.539 174.401 174.900 0.067 0.000 1.277 365 G CA -0.284 44.845 45.100 0.048 0.000 0.910 365 G HN 0.634 nan 8.290 nan 0.000 0.576 366 N N 1.001 119.743 118.700 0.070 0.000 3.298 366 N HA 0.133 4.874 4.740 0.001 0.000 0.292 366 N C 0.172 175.746 175.510 0.107 0.000 1.271 366 N CA 0.097 53.200 53.050 0.090 0.000 1.184 366 N CB -0.418 38.115 38.487 0.076 0.000 1.452 366 N HN 0.592 nan 8.380 nan 0.000 0.534 367 H N 1.018 120.135 119.070 0.080 0.000 2.929 367 H HA 0.091 4.647 4.556 0.001 0.000 0.317 367 H C -1.464 173.944 175.328 0.133 0.000 1.031 367 H CA -1.110 55.011 56.048 0.122 0.000 1.466 367 H CB 1.319 31.187 29.762 0.177 0.000 1.482 367 H HN 0.323 nan 8.280 nan 0.000 0.561 368 P HA -0.052 nan 4.420 nan 0.000 0.237 368 P C 0.001 177.444 177.300 0.238 0.000 1.178 368 P CA 1.153 64.370 63.100 0.194 0.000 0.766 368 P CB 0.346 32.108 31.700 0.103 0.000 0.876 369 K N -0.612 120.026 120.400 0.397 0.000 2.414 369 K HA 0.229 4.549 4.320 0.001 0.000 0.204 369 K C 0.582 177.337 176.600 0.259 0.000 1.026 369 K CA -0.176 56.245 56.287 0.224 0.000 1.108 369 K CB 0.032 32.564 32.500 0.053 0.000 0.855 369 K HN 0.284 nan 8.250 nan 0.000 0.517 370 M N -0.886 118.880 119.600 0.276 0.000 2.252 370 M HA 0.208 4.688 4.480 0.001 0.000 0.348 370 M C 0.804 177.035 176.300 -0.115 0.000 1.334 370 M CA 1.216 56.617 55.300 0.167 0.000 1.071 370 M CB 0.333 33.070 32.600 0.227 0.000 1.763 370 M HN 0.264 nan 8.290 nan 0.000 0.452 371 G N 2.759 111.338 108.800 -0.369 0.000 2.259 371 G HA2 -0.189 3.771 3.960 0.001 0.000 0.217 371 G HA3 -0.189 3.771 3.960 0.001 0.000 0.217 371 G C 0.131 174.925 174.900 -0.176 0.000 1.001 371 G CA -0.081 44.530 45.100 -0.815 0.000 0.627 371 G HN 0.711 nan 8.290 nan 0.000 0.501 372 M N 1.190 120.769 119.600 -0.036 0.000 2.249 372 M HA 0.380 4.861 4.480 0.001 0.000 0.340 372 M C 0.607 176.935 176.300 0.047 0.000 1.166 372 M CA -0.319 54.982 55.300 0.001 0.000 1.115 372 M CB 0.737 33.318 32.600 -0.032 0.000 1.606 372 M HN 0.252 nan 8.290 nan 0.000 0.448 373 L N 3.946 125.191 121.223 0.036 0.000 2.462 373 L HA 0.047 4.387 4.340 0.001 0.000 0.272 373 L C 0.845 177.730 176.870 0.025 0.000 1.166 373 L CA 0.822 55.700 54.840 0.063 0.000 0.880 373 L CB 0.292 42.392 42.059 0.068 0.000 1.142 373 L HN 0.605 nan 8.230 nan 0.000 0.473 374 K N 3.845 124.253 120.400 0.013 0.000 2.439 374 K HA 0.014 4.334 4.320 0.001 0.000 0.197 374 K C 0.136 176.736 176.600 0.000 0.000 1.041 374 K CA 0.201 56.489 56.287 0.001 0.000 0.970 374 K CB -0.097 32.395 32.500 -0.013 0.000 0.773 374 K HN 0.628 nan 8.250 nan 0.000 0.479 375 R N 1.445 121.954 120.500 0.014 0.000 1.171 375 R HA -0.207 4.134 4.340 0.001 0.000 0.411 375 R C -0.812 175.495 176.300 0.011 0.000 1.357 375 R CA 0.165 56.278 56.100 0.022 0.000 1.374 375 R CB -0.055 30.252 30.300 0.011 0.000 3.782 375 R HN 0.273 nan 8.270 nan 0.000 0.482 376 R N 4.492 125.004 120.500 0.020 0.000 2.442 376 R HA 0.134 4.474 4.340 0.001 0.000 0.291 376 R C 0.261 176.548 176.300 -0.023 0.000 1.069 376 R CA -0.379 55.724 56.100 0.006 0.000 1.022 376 R CB 0.469 30.787 30.300 0.029 0.000 0.976 376 R HN 0.331 nan 8.270 nan 0.000 0.443 377 I N 6.193 126.729 120.570 -0.057 0.000 2.337 377 I HA 0.144 4.314 4.170 0.001 0.000 0.291 377 I C 0.294 176.407 176.117 -0.007 0.000 1.046 377 I CA -0.138 61.104 61.300 -0.096 0.000 1.324 377 I CB 0.808 38.592 38.000 -0.360 0.000 1.409 377 I HN 0.605 nan 8.210 nan 0.000 0.494 378 M N 8.682 128.240 119.600 -0.070 0.000 2.444 378 M HA 0.362 4.842 4.480 0.001 0.000 0.319 378 M C -1.399 174.781 176.300 -0.200 0.000 1.183 378 M CA -2.517 52.632 55.300 -0.253 0.000 1.032 378 M CB 0.605 33.092 32.600 -0.187 0.000 1.569 378 M HN 0.084 nan 8.290 nan 0.000 0.468 379 P HA -0.124 nan 4.420 nan 0.000 0.221 379 P C 0.313 177.703 177.300 0.150 0.000 1.145 379 P CA 1.199 64.244 63.100 -0.092 0.000 0.795 379 P CB 0.254 31.674 31.700 -0.468 0.000 0.775 380 E N -1.018 119.209 120.200 0.045 0.000 2.511 380 E HA -0.067 4.284 4.350 0.001 0.000 0.196 380 E C 0.792 177.465 176.600 0.122 0.000 1.066 380 E CA 0.633 57.096 56.400 0.104 0.000 0.871 380 E CB -0.511 29.229 29.700 0.067 0.000 0.863 380 E HN 0.314 nan 8.360 nan 0.000 0.520 381 D N -0.702 119.780 120.400 0.136 0.000 2.449 381 D HA 0.060 4.700 4.640 0.001 0.000 0.210 381 D C 0.209 176.635 176.300 0.209 0.000 1.094 381 D CA -0.049 54.036 54.000 0.141 0.000 0.846 381 D CB 0.848 41.708 40.800 0.100 0.000 1.003 381 D HN 0.093 nan 8.370 nan 0.000 0.504 382 I N 2.004 122.737 120.570 0.272 0.000 2.395 382 I HA 0.250 4.420 4.170 0.001 0.000 0.289 382 I C 0.381 176.637 176.117 0.231 0.000 1.023 382 I CA -0.402 61.077 61.300 0.298 0.000 1.350 382 I CB 1.053 39.303 38.000 0.417 0.000 1.409 382 I HN -0.259 nan 8.210 nan 0.000 0.507 383 I N 6.552 127.224 120.570 0.170 0.000 2.362 383 I HA 0.336 4.506 4.170 0.001 0.000 0.289 383 I C -0.155 176.058 176.117 0.160 0.000 0.994 383 I CA -0.514 60.883 61.300 0.162 0.000 1.158 383 I CB 1.751 39.872 38.000 0.201 0.000 1.315 383 I HN 0.225 nan 8.210 nan 0.000 0.451 384 I N 5.226 125.784 120.570 -0.021 0.000 2.331 384 I HA 0.262 4.432 4.170 0.001 0.000 0.292 384 I C -0.186 175.962 176.117 0.053 0.000 0.998 384 I CA -0.321 60.936 61.300 -0.072 0.000 1.267 384 I CB 1.214 38.913 38.000 -0.502 0.000 1.386 384 I HN 0.556 nan 8.210 nan 0.000 0.476 385 N N 6.275 125.051 118.700 0.126 0.000 2.417 385 N HA 0.642 5.382 4.740 0.001 0.000 0.274 385 N C -0.861 174.664 175.510 0.025 0.000 0.987 385 N CA -0.248 52.772 53.050 -0.051 0.000 0.912 385 N CB 1.133 39.335 38.487 -0.475 0.000 1.177 385 N HN 0.788 nan 8.380 nan 0.000 0.490 386 C N 0.378 119.684 119.300 0.011 0.000 3.314 386 C HA 0.711 5.172 4.460 0.001 0.000 0.344 386 C C 0.166 175.182 174.990 0.044 0.000 1.461 386 C CA -1.029 57.906 59.018 -0.140 0.000 1.249 386 C CB 0.813 28.430 27.740 -0.205 0.000 1.632 386 C HN 0.573 nan 8.230 nan 0.000 0.452 387 S N -0.076 115.493 115.700 -0.218 0.000 2.614 387 S HA 0.310 4.781 4.470 0.001 0.000 0.265 387 S C 1.076 175.529 174.600 -0.244 0.000 1.303 387 S CA -0.268 57.872 58.200 -0.099 0.000 1.000 387 S CB 0.688 63.699 63.200 -0.314 0.000 0.935 387 S HN 0.779 nan 8.310 nan 0.000 0.551 388 K N 0.833 121.029 120.400 -0.340 0.000 2.026 388 K HA -0.102 4.219 4.320 0.001 0.000 0.208 388 K C 1.047 177.525 176.600 -0.204 0.000 1.048 388 K CA 1.791 57.794 56.287 -0.473 0.000 0.929 388 K CB -0.284 32.018 32.500 -0.330 0.000 0.713 388 K HN 0.751 nan 8.250 nan 0.000 0.439 389 D N -0.047 120.301 120.400 -0.086 0.000 2.349 389 D HA 0.040 4.680 4.640 0.001 0.000 0.224 389 D C 0.057 176.395 176.300 0.063 0.000 1.029 389 D CA -0.031 53.987 54.000 0.030 0.000 0.879 389 D CB 0.057 40.938 40.800 0.137 0.000 0.906 389 D HN 0.066 nan 8.370 nan 0.000 0.528 390 A N 0.276 123.030 122.820 -0.110 0.000 2.312 390 A HA 0.433 4.753 4.320 0.001 0.000 0.328 390 A C 0.031 177.565 177.584 -0.084 0.000 1.158 390 A CA -0.927 51.015 52.037 -0.158 0.000 0.821 390 A CB 0.785 19.450 19.000 -0.557 0.000 1.170 390 A HN 0.082 nan 8.150 nan 0.000 0.490 391 K N 2.075 122.455 120.400 -0.032 0.000 2.382 391 K HA 0.320 4.640 4.320 0.001 0.000 0.286 391 K C -0.585 175.989 176.600 -0.043 0.000 1.062 391 K CA -0.209 56.071 56.287 -0.012 0.000 1.000 391 K CB -0.002 32.506 32.500 0.014 0.000 0.954 391 K HN 0.434 nan 8.250 nan 0.000 0.470 392 V N 7.913 127.824 119.914 -0.005 0.000 2.585 392 V HA 0.078 4.198 4.120 0.001 0.000 0.296 392 V C -1.621 174.520 176.094 0.078 0.000 1.035 392 V CA -1.301 61.006 62.300 0.012 0.000 1.084 392 V CB 0.385 32.264 31.823 0.093 0.000 0.953 392 V HN 0.881 nan 8.190 nan 0.000 0.483 393 P HA 0.045 nan 4.420 nan 0.000 0.268 393 P C -0.221 177.349 177.300 0.451 0.000 1.204 393 P CA 0.096 63.340 63.100 0.240 0.000 0.768 393 P CB 0.695 32.542 31.700 0.246 0.000 0.842 394 S N 4.399 120.272 115.700 0.289 0.000 2.481 394 S HA 0.251 4.721 4.470 0.001 0.000 0.276 394 S C -1.830 172.818 174.600 0.079 0.000 1.247 394 S CA -1.277 57.025 58.200 0.170 0.000 1.053 394 S CB -0.458 62.802 63.200 0.100 0.000 0.925 394 S HN 0.320 nan 8.310 nan 0.000 0.491 395 P HA 0.248 nan 4.420 nan 0.000 0.271 395 P C -2.719 174.375 177.300 -0.344 0.000 1.218 395 P CA -1.459 61.160 63.100 -0.802 0.000 0.780 395 P CB -0.589 30.387 31.700 -1.206 0.000 0.901 396 P HA 0.092 nan 4.420 nan 0.000 0.262 396 P C -2.214 175.051 177.300 -0.059 0.000 1.182 396 P CA -0.387 62.654 63.100 -0.100 0.000 0.761 396 P CB -1.111 30.489 31.700 -0.165 0.000 0.795 397 P HA -0.123 nan 4.420 nan 0.000 0.255 397 P C 1.025 178.265 177.300 -0.100 0.000 1.141 397 P CA 2.122 65.193 63.100 -0.048 0.000 0.767 397 P CB -0.265 31.422 31.700 -0.023 0.000 0.726 398 G N 1.319 110.021 108.800 -0.163 0.000 2.175 398 G HA2 -0.201 3.759 3.960 0.001 0.000 0.244 398 G HA3 -0.201 3.759 3.960 0.001 0.000 0.244 398 G C 0.040 174.670 174.900 -0.449 0.000 0.982 398 G CA -0.167 44.758 45.100 -0.293 0.000 0.641 398 G HN 0.646 nan 8.290 nan 0.000 0.527 399 H N -0.591 118.360 119.070 -0.198 0.000 2.824 399 H HA 0.852 5.408 4.556 0.001 0.000 0.345 399 H C 0.045 175.210 175.328 -0.273 0.000 1.252 399 H CA -0.593 55.313 56.048 -0.236 0.000 1.246 399 H CB 1.620 31.188 29.762 -0.324 0.000 1.908 399 H HN 0.160 nan 8.280 nan 0.000 0.601 400 K N 0.157 120.503 120.400 -0.091 0.000 2.508 400 K HA 0.212 4.532 4.320 0.001 0.000 0.260 400 K C -1.322 175.246 176.600 -0.053 0.000 0.949 400 K CA -0.711 55.487 56.287 -0.148 0.000 0.834 400 K CB 2.137 34.618 32.500 -0.032 0.000 1.365 400 K HN 0.424 nan 8.250 nan 0.000 0.437 401 W N 2.155 123.501 121.300 0.077 0.000 2.086 401 W HA 0.240 4.901 4.660 0.001 0.000 0.355 401 W C 1.601 178.168 176.519 0.079 0.000 1.313 401 W CA -0.334 57.065 57.345 0.090 0.000 1.358 401 W CB 0.438 29.965 29.460 0.112 0.000 1.166 401 W HN 0.580 nan 8.180 nan 0.000 0.630 402 K N 0.177 120.798 120.400 0.369 0.000 2.062 402 K HA -0.125 4.195 4.320 0.001 0.000 0.205 402 K C -0.191 176.523 176.600 0.190 0.000 1.051 402 K CA 1.591 58.010 56.287 0.219 0.000 0.941 402 K CB 0.189 32.798 32.500 0.181 0.000 0.719 402 K HN 0.668 nan 8.250 nan 0.000 0.440 403 E N -1.787 118.536 120.200 0.204 0.000 2.393 403 E HA 0.188 4.538 4.350 0.001 0.000 0.282 403 E C -1.569 175.087 176.600 0.094 0.000 1.096 403 E CA -0.911 55.574 56.400 0.143 0.000 0.866 403 E CB 1.370 31.131 29.700 0.102 0.000 1.232 403 E HN -0.182 nan 8.360 nan 0.000 0.431 404 V N 1.827 121.765 119.914 0.041 0.000 2.357 404 V HA 0.558 4.679 4.120 0.001 0.000 0.284 404 V C -0.178 175.784 176.094 -0.219 0.000 1.018 404 V CA -0.503 61.763 62.300 -0.057 0.000 0.841 404 V CB 0.827 32.652 31.823 0.003 0.000 0.991 404 V HN 0.715 nan 8.190 nan 0.000 0.437 405 R N 3.089 123.446 120.500 -0.238 0.000 2.803 405 R HA 0.655 4.995 4.340 0.001 0.000 0.276 405 R C -1.038 175.021 176.300 -0.401 0.000 0.978 405 R CA -0.806 55.076 56.100 -0.363 0.000 0.939 405 R CB 1.584 31.822 30.300 -0.104 0.000 1.179 405 R HN 0.633 nan 8.270 nan 0.000 0.472 406 H N 1.168 120.249 119.070 0.019 0.000 2.439 406 H HA 0.233 4.790 4.556 0.001 0.000 0.239 406 H C -1.176 174.127 175.328 -0.043 0.000 1.432 406 H CA -0.762 55.316 56.048 0.050 0.000 1.373 406 H CB 0.567 30.356 29.762 0.045 0.000 1.463 406 H HN 0.618 nan 8.280 nan 0.000 0.530 407 D N 2.128 122.505 120.400 -0.039 0.000 2.473 407 D HA 0.012 4.652 4.640 0.001 0.000 0.226 407 D C 1.102 177.101 176.300 -0.502 0.000 1.089 407 D CA -0.461 53.405 54.000 -0.224 0.000 0.883 407 D CB 0.508 41.179 40.800 -0.214 0.000 1.029 407 D HN 0.375 nan 8.370 nan 0.000 0.517 408 N N 3.027 121.216 118.700 -0.852 0.000 2.521 408 N HA -0.107 4.634 4.740 0.001 0.000 0.188 408 N C 0.565 175.484 175.510 -0.984 0.000 1.146 408 N CA 0.225 52.316 53.050 -1.598 0.000 0.893 408 N CB 0.220 37.860 38.487 -1.411 0.000 0.975 408 N HN 0.225 nan 8.380 nan 0.000 0.451 409 K N 0.533 120.596 120.400 -0.562 0.000 2.426 409 K HA 0.125 4.445 4.320 0.001 0.000 0.193 409 K C 0.798 177.234 176.600 -0.274 0.000 1.028 409 K CA 0.089 56.169 56.287 -0.346 0.000 1.047 409 K CB 0.472 32.843 32.500 -0.214 0.000 0.821 409 K HN 0.315 nan 8.250 nan 0.000 0.513 410 V N -3.082 116.639 119.914 -0.322 0.000 3.046 410 V HA 0.400 4.520 4.120 0.001 0.000 0.316 410 V C 0.975 177.004 176.094 -0.109 0.000 1.104 410 V CA -0.800 61.367 62.300 -0.222 0.000 1.006 410 V CB 1.758 33.401 31.823 -0.300 0.000 1.058 410 V HN -0.156 nan 8.190 nan 0.000 0.440 411 T N 1.012 115.534 114.554 -0.054 0.000 3.009 411 T HA 0.118 4.469 4.350 0.001 0.000 0.258 411 T C 0.584 175.300 174.700 0.026 0.000 1.063 411 T CA 0.722 62.843 62.100 0.034 0.000 1.139 411 T CB -0.137 68.735 68.868 0.006 0.000 0.890 411 T HN 0.828 nan 8.240 nan 0.000 0.471 412 W N 1.892 123.140 121.300 -0.088 0.000 2.158 412 W HA 0.328 4.989 4.660 0.000 0.000 0.339 412 W C -0.021 176.462 176.519 -0.060 0.000 1.294 412 W CA -0.675 56.611 57.345 -0.098 0.000 1.231 412 W CB 0.311 29.678 29.460 -0.155 0.000 1.143 412 W HN 0.045 nan 8.180 nan 0.000 0.571 413 L N 2.048 123.366 121.223 0.158 0.000 2.286 413 L HA 0.158 4.498 4.340 0.001 0.000 0.203 413 L C 0.315 177.267 176.870 0.137 0.000 1.068 413 L CA 0.329 55.086 54.840 -0.138 0.000 0.811 413 L CB -0.657 41.033 42.059 -0.615 0.000 0.989 413 L HN 0.180 nan 8.230 nan 0.000 0.467 414 V N -0.774 119.331 119.914 0.319 0.000 2.789 414 V HA 0.549 4.670 4.120 0.001 0.000 0.311 414 V C -0.647 175.633 176.094 0.310 0.000 1.073 414 V CA -0.496 62.007 62.300 0.337 0.000 0.921 414 V CB 2.150 34.101 31.823 0.214 0.000 1.009 414 V HN 0.145 nan 8.190 nan 0.000 0.426 415 S N 2.442 118.236 115.700 0.155 0.000 2.541 415 S HA 0.876 5.346 4.470 0.001 0.000 0.271 415 S C -1.706 172.916 174.600 0.037 0.000 1.133 415 S CA -0.518 57.539 58.200 -0.239 0.000 0.876 415 S CB 1.523 64.156 63.200 -0.945 0.000 1.105 415 S HN 0.973 nan 8.310 nan 0.000 0.470 416 W N 1.043 122.153 121.300 -0.317 0.000 2.962 416 W HA 0.768 5.429 4.660 0.001 0.000 0.405 416 W C -1.590 174.779 176.519 -0.250 0.000 1.121 416 W CA -0.859 56.366 57.345 -0.201 0.000 1.164 416 W CB 0.435 29.834 29.460 -0.103 0.000 1.489 416 W HN 0.488 nan 8.180 nan 0.000 0.599 417 T N 1.497 116.117 114.554 0.109 0.000 2.848 417 T HA 0.369 4.720 4.350 0.001 0.000 0.285 417 T C -0.928 173.835 174.700 0.105 0.000 0.995 417 T CA -0.750 61.321 62.100 -0.048 0.000 0.970 417 T CB 1.502 70.347 68.868 -0.039 0.000 0.976 417 T HN 0.442 nan 8.240 nan 0.000 0.441 418 E N 1.508 121.693 120.200 -0.025 0.000 2.249 418 E HA 0.264 4.614 4.350 0.001 0.000 0.280 418 E C 0.673 177.251 176.600 -0.037 0.000 1.016 418 E CA -0.766 55.649 56.400 0.024 0.000 0.830 418 E CB 0.596 30.271 29.700 -0.042 0.000 1.081 418 E HN 0.732 nan 8.360 nan 0.000 0.395 419 N N 3.463 122.148 118.700 -0.025 0.000 2.459 419 N HA -0.139 4.601 4.740 0.001 0.000 0.181 419 N C 0.910 176.354 175.510 -0.110 0.000 1.046 419 N CA 0.392 53.409 53.050 -0.055 0.000 0.904 419 N CB 0.002 38.468 38.487 -0.035 0.000 0.964 419 N HN 0.392 nan 8.380 nan 0.000 0.444 420 I N 0.961 121.427 120.570 -0.173 0.000 2.141 420 I HA -0.145 4.026 4.170 0.001 0.000 0.236 420 I C 2.315 178.274 176.117 -0.263 0.000 1.071 420 I CA 1.402 62.519 61.300 -0.304 0.000 1.345 420 I CB -1.134 36.512 38.000 -0.591 0.000 1.066 420 I HN 0.313 nan 8.210 nan 0.000 0.406 421 Q N -0.168 119.491 119.800 -0.234 0.000 2.297 421 Q HA 0.159 4.500 4.340 0.001 0.000 0.203 421 Q C 1.636 177.566 176.000 -0.116 0.000 0.931 421 Q CA 1.062 56.770 55.803 -0.158 0.000 0.885 421 Q CB 0.536 29.191 28.738 -0.138 0.000 0.991 421 Q HN 0.688 nan 8.270 nan 0.000 0.498 422 G N 1.679 110.407 108.800 -0.120 0.000 2.176 422 G HA2 -0.263 3.698 3.960 0.001 0.000 0.232 422 G HA3 -0.263 3.698 3.960 0.001 0.000 0.232 422 G C 0.390 175.218 174.900 -0.120 0.000 0.986 422 G CA 0.426 45.467 45.100 -0.100 0.000 0.643 422 G HN 0.451 nan 8.290 nan 0.000 0.522 423 S N -0.279 115.333 115.700 -0.147 0.000 2.624 423 S HA 0.716 5.186 4.470 0.001 0.000 0.263 423 S C 0.185 174.608 174.600 -0.296 0.000 1.287 423 S CA -0.433 57.654 58.200 -0.187 0.000 0.990 423 S CB 1.563 64.661 63.200 -0.170 0.000 0.950 423 S HN 0.571 nan 8.310 nan 0.000 0.561 424 I N 1.525 121.854 120.570 -0.402 0.000 2.353 424 I HA 0.363 4.534 4.170 0.001 0.000 0.293 424 I C 0.530 176.016 176.117 -1.053 0.000 0.992 424 I CA -0.169 60.718 61.300 -0.689 0.000 1.268 424 I CB 0.956 38.535 38.000 -0.702 0.000 1.387 424 I HN 0.485 nan 8.210 nan 0.000 0.478 425 K N 5.948 125.580 120.400 -1.281 0.000 2.123 425 K HA 0.561 4.882 4.320 0.001 0.000 0.259 425 K C -1.235 174.368 176.600 -1.662 0.000 0.960 425 K CA -0.658 54.778 56.287 -1.418 0.000 0.872 425 K CB 1.851 33.436 32.500 -1.525 0.000 1.079 425 K HN 0.411 nan 8.250 nan 0.000 0.440 426 Y N 0.274 120.114 120.300 -0.766 0.000 2.605 426 Y HA 0.503 5.054 4.550 0.001 0.000 0.343 426 Y C 0.190 175.942 175.900 -0.247 0.000 1.036 426 Y CA -1.099 56.699 58.100 -0.503 0.000 1.065 426 Y CB 1.887 40.152 38.460 -0.324 0.000 1.288 426 Y HN 0.260 nan 8.280 nan 0.000 0.481 427 I N 3.147 123.805 120.570 0.147 0.000 2.437 427 I HA 0.350 4.520 4.170 0.001 0.000 0.279 427 I C -0.806 175.381 176.117 0.117 0.000 1.028 427 I CA -0.074 61.310 61.300 0.140 0.000 1.142 427 I CB 0.610 38.714 38.000 0.173 0.000 1.266 427 I HN 0.527 nan 8.210 nan 0.000 0.461 428 M N 4.891 124.539 119.600 0.081 0.000 2.849 428 M HA 0.566 5.046 4.480 0.001 0.000 0.299 428 M C -0.342 175.966 176.300 0.014 0.000 1.223 428 M CA -0.901 54.425 55.300 0.045 0.000 0.856 428 M CB 1.826 34.447 32.600 0.035 0.000 1.680 428 M HN 0.267 nan 8.290 nan 0.000 0.506 429 L N 0.998 122.216 121.223 -0.008 0.000 2.453 429 L HA 0.229 4.570 4.340 0.001 0.000 0.261 429 L C 0.341 177.205 176.870 -0.010 0.000 1.179 429 L CA -0.476 54.355 54.840 -0.016 0.000 0.813 429 L CB 0.204 42.250 42.059 -0.023 0.000 1.110 429 L HN 0.773 nan 8.230 nan 0.000 0.466 430 N N 1.531 120.223 118.700 -0.013 0.000 2.371 430 N HA 0.058 4.798 4.740 0.001 0.000 0.243 430 N C -2.137 173.368 175.510 -0.008 0.000 1.287 430 N CA -0.990 52.053 53.050 -0.011 0.000 0.911 430 N CB 0.541 39.016 38.487 -0.020 0.000 1.142 430 N HN 0.309 nan 8.380 nan 0.000 0.451 431 P HA -0.036 nan 4.420 nan 0.000 0.231 431 P C 0.255 177.570 177.300 0.025 0.000 1.158 431 P CA 0.801 63.896 63.100 -0.009 0.000 0.763 431 P CB 0.170 31.841 31.700 -0.049 0.000 0.805 432 S N -1.289 114.436 115.700 0.042 0.000 2.522 432 S HA -0.004 4.467 4.470 0.001 0.000 0.227 432 S C 1.093 175.787 174.600 0.157 0.000 0.986 432 S CA 0.245 58.522 58.200 0.129 0.000 0.929 432 S CB -0.610 62.666 63.200 0.127 0.000 0.769 432 S HN 0.300 nan 8.310 nan 0.000 0.529 433 S N 1.338 117.053 115.700 0.026 0.000 2.645 433 S HA 0.361 4.831 4.470 0.001 0.000 0.266 433 S C 0.994 175.312 174.600 -0.470 0.000 1.258 433 S CA -0.845 57.304 58.200 -0.085 0.000 0.990 433 S CB 1.174 64.352 63.200 -0.036 0.000 0.967 433 S HN 0.297 nan 8.310 nan 0.000 0.556 434 R N -0.306 119.822 120.500 -0.620 0.000 2.062 434 R HA -0.079 4.261 4.340 0.001 0.000 0.231 434 R C 2.105 178.066 176.300 -0.565 0.000 1.136 434 R CA 1.420 56.900 56.100 -1.033 0.000 0.948 434 R CB -0.666 29.382 30.300 -0.421 0.000 0.845 434 R HN 0.729 nan 8.270 nan 0.000 0.430 435 I N 1.717 122.148 120.570 -0.232 0.000 2.194 435 I HA -0.310 3.860 4.170 0.001 0.000 0.246 435 I C 2.048 178.085 176.117 -0.132 0.000 1.093 435 I CA 1.758 62.989 61.300 -0.114 0.000 1.355 435 I CB -0.053 37.932 38.000 -0.026 0.000 1.046 435 I HN 0.121 nan 8.210 nan 0.000 0.413 436 K N -0.287 120.024 120.400 -0.149 0.000 2.137 436 K HA 0.123 4.443 4.320 0.001 0.000 0.202 436 K C 2.048 178.590 176.600 -0.096 0.000 1.052 436 K CA 1.079 57.312 56.287 -0.090 0.000 0.961 436 K CB -0.617 31.855 32.500 -0.046 0.000 0.741 436 K HN 0.466 nan 8.250 nan 0.000 0.452 437 G N 1.057 109.712 108.800 -0.241 0.000 2.421 437 G HA2 -0.234 3.726 3.960 0.001 0.000 0.217 437 G HA3 -0.234 3.726 3.960 0.001 0.000 0.217 437 G C 1.481 176.249 174.900 -0.220 0.000 1.143 437 G CA 0.466 45.450 45.100 -0.193 0.000 0.784 437 G HN 0.346 nan 8.290 nan 0.000 0.541 438 E N 0.006 120.019 120.200 -0.312 0.000 2.072 438 E HA -0.033 4.317 4.350 0.001 0.000 0.190 438 E C 2.374 178.965 176.600 -0.015 0.000 0.982 438 E CA 0.642 57.042 56.400 -0.000 0.000 0.803 438 E CB 0.009 29.702 29.700 -0.012 0.000 0.755 438 E HN 0.115 nan 8.360 nan 0.000 0.453 439 K N 0.523 120.890 120.400 -0.056 0.000 2.211 439 K HA -0.146 4.175 4.320 0.001 0.000 0.203 439 K C 1.421 178.004 176.600 -0.027 0.000 1.050 439 K CA 1.235 57.494 56.287 -0.047 0.000 0.945 439 K CB -0.036 32.438 32.500 -0.044 0.000 0.732 439 K HN 0.124 nan 8.250 nan 0.000 0.451 440 D N -0.727 119.687 120.400 0.023 0.000 2.194 440 D HA -0.136 4.504 4.640 0.001 0.000 0.204 440 D C 1.545 177.944 176.300 0.165 0.000 0.964 440 D CA 0.519 54.593 54.000 0.123 0.000 0.846 440 D CB 0.004 41.016 40.800 0.354 0.000 0.962 440 D HN 0.196 nan 8.370 nan 0.000 0.490 441 W N 1.392 122.513 121.300 -0.299 0.000 2.418 441 W HA 0.020 4.680 4.660 0.000 0.000 0.292 441 W C 1.710 178.155 176.519 -0.123 0.000 1.213 441 W CA 0.995 58.041 57.345 -0.500 0.000 1.283 441 W CB -0.574 28.331 29.460 -0.926 0.000 1.119 441 W HN 0.012 nan 8.180 nan 0.000 0.542 442 Q N 0.199 119.931 119.800 -0.114 0.000 2.369 442 Q HA -0.166 4.174 4.340 0.001 0.000 0.206 442 Q C 2.094 178.038 176.000 -0.092 0.000 0.963 442 Q CA 1.208 56.897 55.803 -0.191 0.000 0.894 442 Q CB -0.127 28.494 28.738 -0.195 0.000 0.965 442 Q HN 0.322 nan 8.270 nan 0.000 0.475 443 K N -0.011 120.335 120.400 -0.090 0.000 2.044 443 K HA -0.123 4.197 4.320 0.001 0.000 0.204 443 K C 1.248 177.797 176.600 -0.085 0.000 1.049 443 K CA 0.991 57.183 56.287 -0.159 0.000 0.945 443 K CB 0.119 32.428 32.500 -0.319 0.000 0.724 443 K HN 0.135 nan 8.250 nan 0.000 0.440 444 Y N 1.187 121.641 120.300 0.256 0.000 2.457 444 Y HA 0.005 4.555 4.550 0.001 0.000 0.292 444 Y C 2.082 178.150 175.900 0.279 0.000 1.125 444 Y CA 0.517 58.843 58.100 0.377 0.000 1.254 444 Y CB 0.095 38.879 38.460 0.541 0.000 1.012 444 Y HN 0.098 nan 8.280 nan 0.000 0.555 445 E N -0.606 119.750 120.200 0.260 0.000 2.216 445 E HA -0.070 4.280 4.350 0.001 0.000 0.192 445 E C 1.903 178.507 176.600 0.007 0.000 0.988 445 E CA 1.101 57.555 56.400 0.091 0.000 0.834 445 E CB -0.224 29.429 29.700 -0.079 0.000 0.772 445 E HN 0.369 nan 8.360 nan 0.000 0.479 446 T N 0.659 115.216 114.554 0.006 0.000 2.985 446 T HA 0.041 4.392 4.350 0.001 0.000 0.266 446 T C 1.804 176.499 174.700 -0.008 0.000 1.076 446 T CA 0.912 62.993 62.100 -0.031 0.000 1.135 446 T CB 0.082 68.923 68.868 -0.046 0.000 0.890 446 T HN 0.185 nan 8.240 nan 0.000 0.480 447 A N 1.540 124.422 122.820 0.103 0.000 2.016 447 A HA 0.055 4.375 4.320 0.001 0.000 0.217 447 A C 2.332 179.991 177.584 0.126 0.000 1.162 447 A CA 0.752 52.925 52.037 0.226 0.000 0.662 447 A CB -0.270 19.040 19.000 0.517 0.000 0.812 447 A HN 0.327 nan 8.150 nan 0.000 0.450 448 R N -0.613 119.812 120.500 -0.124 0.000 2.119 448 R HA 0.039 4.380 4.340 0.001 0.000 0.222 448 R C 2.030 178.204 176.300 -0.210 0.000 1.088 448 R CA 0.983 56.828 56.100 -0.426 0.000 0.984 448 R CB -0.146 29.903 30.300 -0.418 0.000 0.884 448 R HN 0.426 nan 8.270 nan 0.000 0.447 449 R N 0.260 120.679 120.500 -0.136 0.000 2.276 449 R HA -0.031 4.310 4.340 0.001 0.000 0.203 449 R C 1.815 178.027 176.300 -0.147 0.000 1.017 449 R CA 0.379 56.406 56.100 -0.122 0.000 1.010 449 R CB -0.042 30.197 30.300 -0.102 0.000 0.900 449 R HN 0.096 nan 8.270 nan 0.000 0.469 450 L N 1.173 122.287 121.223 -0.180 0.000 2.162 450 L HA -0.001 4.339 4.340 0.001 0.000 0.205 450 L C 2.054 178.718 176.870 -0.344 0.000 1.086 450 L CA 1.704 56.356 54.840 -0.313 0.000 0.778 450 L CB -0.268 41.512 42.059 -0.465 0.000 0.928 450 L HN -0.118 nan 8.230 nan 0.000 0.446 451 K N -0.155 120.132 120.400 -0.188 0.000 2.152 451 K HA -0.195 4.125 4.320 0.001 0.000 0.206 451 K C 1.800 178.369 176.600 -0.053 0.000 1.048 451 K CA 1.580 57.855 56.287 -0.019 0.000 0.933 451 K CB 0.010 32.612 32.500 0.171 0.000 0.721 451 K HN 0.317 nan 8.250 nan 0.000 0.447 452 K N -0.916 119.433 120.400 -0.086 0.000 2.486 452 K HA -0.004 4.317 4.320 0.001 0.000 0.194 452 K C 0.946 177.499 176.600 -0.079 0.000 1.033 452 K CA 0.532 56.776 56.287 -0.071 0.000 1.004 452 K CB 0.319 32.775 32.500 -0.073 0.000 0.798 452 K HN 0.208 nan 8.250 nan 0.000 0.495 453 C N -1.129 118.104 119.300 -0.112 0.000 3.785 453 C HA 0.146 4.607 4.460 0.001 0.000 0.312 453 C C 2.004 176.925 174.990 -0.114 0.000 1.566 453 C CA -0.590 58.365 59.018 -0.105 0.000 1.837 453 C CB -0.320 27.353 27.740 -0.110 0.000 2.826 453 C HN 0.224 nan 8.230 nan 0.000 0.667 454 V N 1.829 121.651 119.914 -0.154 0.000 2.490 454 V HA -0.191 3.930 4.120 0.001 0.000 0.250 454 V C 1.926 177.986 176.094 -0.056 0.000 1.061 454 V CA 2.445 64.657 62.300 -0.148 0.000 1.064 454 V CB -0.236 31.417 31.823 -0.284 0.000 0.670 454 V HN 0.504 nan 8.190 nan 0.000 0.461 455 D N -0.484 119.888 120.400 -0.047 0.000 2.149 455 D HA -0.148 4.492 4.640 0.001 0.000 0.201 455 D C 2.108 178.358 176.300 -0.083 0.000 0.972 455 D CA 1.352 55.323 54.000 -0.048 0.000 0.835 455 D CB -0.156 40.629 40.800 -0.025 0.000 0.966 455 D HN 0.480 nan 8.370 nan 0.000 0.476 456 K N 0.756 121.112 120.400 -0.074 0.000 2.148 456 K HA -0.058 4.262 4.320 0.001 0.000 0.204 456 K C 2.111 178.656 176.600 -0.091 0.000 1.050 456 K CA 0.689 56.930 56.287 -0.077 0.000 0.942 456 K CB 0.000 32.463 32.500 -0.061 0.000 0.724 456 K HN 0.081 nan 8.250 nan 0.000 0.446 457 I N 0.331 120.858 120.570 -0.072 0.000 2.353 457 I HA -0.180 3.990 4.170 0.001 0.000 0.248 457 I C 2.384 178.386 176.117 -0.191 0.000 1.119 457 I CA 0.858 62.144 61.300 -0.025 0.000 1.417 457 I CB -0.138 37.925 38.000 0.105 0.000 1.078 457 I HN 0.142 nan 8.210 nan 0.000 0.421 458 R N 0.806 121.118 120.500 -0.314 0.000 2.115 458 R HA -0.085 4.256 4.340 0.001 0.000 0.230 458 R C 1.895 177.750 176.300 -0.742 0.000 1.111 458 R CA 1.461 57.116 56.100 -0.742 0.000 0.976 458 R CB -0.260 29.838 30.300 -0.336 0.000 0.870 458 R HN 0.493 nan 8.270 nan 0.000 0.445 459 N N -0.040 118.424 118.700 -0.392 0.000 2.300 459 N HA -0.141 4.599 4.740 0.001 0.000 0.179 459 N C 1.750 177.084 175.510 -0.293 0.000 1.016 459 N CA 0.378 53.248 53.050 -0.300 0.000 0.876 459 N CB 0.094 38.479 38.487 -0.171 0.000 0.979 459 N HN 0.227 nan 8.380 nan 0.000 0.432 460 Q N 0.539 120.192 119.800 -0.244 0.000 2.123 460 Q HA -0.164 4.176 4.340 0.001 0.000 0.199 460 Q C 1.679 177.593 176.000 -0.143 0.000 0.966 460 Q CA 1.210 56.927 55.803 -0.143 0.000 0.845 460 Q CB 0.038 28.745 28.738 -0.052 0.000 0.907 460 Q HN 0.619 nan 8.270 nan 0.000 0.439 461 Y N -1.280 118.889 120.300 -0.219 0.000 2.457 461 Y HA 0.140 4.691 4.550 0.001 0.000 0.292 461 Y C 1.679 177.072 175.900 -0.845 0.000 1.125 461 Y CA 0.428 58.315 58.100 -0.355 0.000 1.254 461 Y CB -0.413 37.922 38.460 -0.209 0.000 1.012 461 Y HN -0.080 nan 8.280 nan 0.000 0.555 462 R N 0.700 120.727 120.500 -0.788 0.000 2.115 462 R HA -0.057 4.283 4.340 0.001 0.000 0.226 462 R C 1.626 177.545 176.300 -0.635 0.000 1.100 462 R CA 1.459 56.876 56.100 -1.138 0.000 0.980 462 R CB -0.073 29.807 30.300 -0.701 0.000 0.875 462 R HN 0.549 nan 8.270 nan 0.000 0.445 463 E N -0.105 119.878 120.200 -0.360 0.000 2.385 463 E HA -0.064 4.286 4.350 0.001 0.000 0.194 463 E C 0.809 177.346 176.600 -0.105 0.000 1.013 463 E CA 0.231 56.534 56.400 -0.162 0.000 0.866 463 E CB 0.267 29.901 29.700 -0.111 0.000 0.832 463 E HN 0.195 nan 8.360 nan 0.000 0.500 464 D N -0.291 120.011 120.400 -0.164 0.000 2.363 464 D HA -0.096 4.544 4.640 0.001 0.000 0.220 464 D C 1.000 177.340 176.300 0.067 0.000 0.994 464 D CA 0.416 54.381 54.000 -0.057 0.000 0.890 464 D CB 0.072 40.839 40.800 -0.054 0.000 0.906 464 D HN 0.303 nan 8.370 nan 0.000 0.530 465 W N 1.060 122.377 121.300 0.030 0.000 2.518 465 W HA 0.066 4.727 4.660 0.000 0.000 0.273 465 W C 1.672 178.196 176.519 0.008 0.000 1.247 465 W CA 0.208 57.562 57.345 0.014 0.000 1.288 465 W CB -0.246 29.199 29.460 -0.026 0.000 1.107 465 W HN 0.032 nan 8.180 nan 0.000 0.586 466 K N 0.123 120.648 120.400 0.209 0.000 2.404 466 K HA 0.113 4.434 4.320 0.001 0.000 0.194 466 K C 0.906 177.554 176.600 0.081 0.000 1.023 466 K CA 0.033 56.392 56.287 0.120 0.000 1.094 466 K CB 0.273 32.825 32.500 0.086 0.000 0.841 466 K HN -0.224 nan 8.250 nan 0.000 0.523 467 S N 1.334 117.085 115.700 0.084 0.000 2.576 467 S HA 0.026 4.497 4.470 0.001 0.000 0.272 467 S C 1.032 175.664 174.600 0.054 0.000 1.352 467 S CA 0.011 58.245 58.200 0.056 0.000 1.021 467 S CB 0.795 64.022 63.200 0.045 0.000 0.887 467 S HN 0.132 nan 8.310 nan 0.000 0.542 468 K N 0.771 121.193 120.400 0.036 0.000 2.296 468 K HA 0.061 4.382 4.320 0.001 0.000 0.200 468 K C 0.223 176.843 176.600 0.033 0.000 1.048 468 K CA 0.831 57.136 56.287 0.031 0.000 0.966 468 K CB 0.148 32.660 32.500 0.021 0.000 0.754 468 K HN 0.542 nan 8.250 nan 0.000 0.466 469 E N 0.023 120.241 120.200 0.030 0.000 2.216 469 E HA 0.088 4.438 4.350 0.001 0.000 0.279 469 E C 0.334 176.960 176.600 0.043 0.000 0.997 469 E CA -0.369 56.045 56.400 0.025 0.000 0.817 469 E CB 1.369 31.071 29.700 0.005 0.000 1.096 469 E HN -0.073 nan 8.360 nan 0.000 0.393 470 M N 3.079 122.706 119.600 0.046 0.000 2.319 470 M HA -0.081 4.400 4.480 0.001 0.000 0.265 470 M C 1.743 178.045 176.300 0.004 0.000 1.068 470 M CA 1.674 57.018 55.300 0.073 0.000 1.118 470 M CB -0.024 32.620 32.600 0.072 0.000 1.395 470 M HN 0.358 nan 8.290 nan 0.000 0.435 471 K N -0.713 119.670 120.400 -0.027 0.000 2.097 471 K HA -0.069 4.252 4.320 0.001 0.000 0.205 471 K C 1.407 177.956 176.600 -0.085 0.000 1.050 471 K CA 1.461 57.706 56.287 -0.070 0.000 0.938 471 K CB 0.007 32.472 32.500 -0.058 0.000 0.718 471 K HN 0.284 nan 8.250 nan 0.000 0.442 472 V N 1.089 120.971 119.914 -0.053 0.000 2.871 472 V HA -0.098 4.022 4.120 0.001 0.000 0.256 472 V C 2.197 178.287 176.094 -0.007 0.000 1.082 472 V CA 1.202 63.461 62.300 -0.069 0.000 1.105 472 V CB -0.477 31.316 31.823 -0.050 0.000 0.713 472 V HN 0.282 nan 8.190 nan 0.000 0.473 473 R N -0.179 120.364 120.500 0.072 0.000 2.062 473 R HA -0.092 4.248 4.340 0.001 0.000 0.229 473 R C 2.480 178.909 176.300 0.216 0.000 1.128 473 R CA 1.338 57.577 56.100 0.232 0.000 0.960 473 R CB -0.256 30.262 30.300 0.363 0.000 0.855 473 R HN 0.558 nan 8.270 nan 0.000 0.432 474 Q N 0.035 119.809 119.800 -0.043 0.000 2.096 474 Q HA -0.189 4.151 4.340 0.001 0.000 0.204 474 Q C 2.189 178.055 176.000 -0.222 0.000 0.982 474 Q CA 1.383 57.063 55.803 -0.206 0.000 0.850 474 Q CB -0.152 28.370 28.738 -0.359 0.000 0.901 474 Q HN 0.228 nan 8.270 nan 0.000 0.422 475 R N 0.200 120.573 120.500 -0.211 0.000 2.096 475 R HA -0.144 4.197 4.340 0.001 0.000 0.235 475 R C 2.081 178.250 176.300 -0.218 0.000 1.127 475 R CA 1.283 57.227 56.100 -0.261 0.000 0.968 475 R CB -0.158 29.975 30.300 -0.279 0.000 0.861 475 R HN 0.248 nan 8.270 nan 0.000 0.440 476 A N -0.243 122.523 122.820 -0.090 0.000 1.970 476 A HA -0.023 4.297 4.320 0.001 0.000 0.216 476 A C 2.107 179.734 177.584 0.071 0.000 1.170 476 A CA 0.984 53.008 52.037 -0.023 0.000 0.645 476 A CB -0.055 18.998 19.000 0.088 0.000 0.816 476 A HN 0.208 nan 8.150 nan 0.000 0.447 477 V N -0.317 119.687 119.914 0.150 0.000 2.591 477 V HA -0.123 3.997 4.120 0.001 0.000 0.249 477 V C 2.938 178.926 176.094 -0.176 0.000 1.053 477 V CA 1.548 63.887 62.300 0.065 0.000 1.068 477 V CB -0.919 31.076 31.823 0.287 0.000 0.689 477 V HN 0.573 nan 8.190 nan 0.000 0.462 478 A N 0.056 122.661 122.820 -0.359 0.000 1.873 478 A HA -0.139 4.181 4.320 0.001 0.000 0.215 478 A C 2.093 179.487 177.584 -0.317 0.000 1.186 478 A CA 1.704 53.425 52.037 -0.526 0.000 0.616 478 A CB -0.524 17.957 19.000 -0.864 0.000 0.823 478 A HN 0.423 nan 8.150 nan 0.000 0.442 479 L N -1.523 119.473 121.223 -0.378 0.000 2.275 479 L HA -0.051 4.289 4.340 0.001 0.000 0.215 479 L C 2.073 178.575 176.870 -0.613 0.000 1.119 479 L CA 1.698 56.239 54.840 -0.498 0.000 0.790 479 L CB -0.945 40.825 42.059 -0.482 0.000 0.919 479 L HN 0.559 nan 8.230 nan 0.000 0.443 480 Y N -1.231 118.677 120.300 -0.654 0.000 2.243 480 Y HA -0.164 4.386 4.550 0.000 0.000 0.293 480 Y C 1.950 177.752 175.900 -0.162 0.000 1.124 480 Y CA 1.459 59.269 58.100 -0.483 0.000 1.159 480 Y CB -0.332 37.984 38.460 -0.241 0.000 1.008 480 Y HN 0.144 nan 8.280 nan 0.000 0.527 481 F N -0.052 119.850 119.950 -0.080 0.000 2.407 481 F HA -0.049 4.478 4.527 0.000 0.000 0.299 481 F C 2.113 177.800 175.800 -0.189 0.000 1.097 481 F CA 0.664 58.586 58.000 -0.129 0.000 1.422 481 F CB -0.804 38.239 39.000 0.072 0.000 1.067 481 F HN 0.079 nan 8.300 nan 0.000 0.539 482 I N -0.563 119.973 120.570 -0.058 0.000 2.500 482 I HA -0.205 3.965 4.170 0.001 0.000 0.252 482 I C 2.138 178.197 176.117 -0.096 0.000 1.142 482 I CA 1.190 62.418 61.300 -0.121 0.000 1.451 482 I CB -0.173 37.686 38.000 -0.235 0.000 1.093 482 I HN -0.020 nan 8.210 nan 0.000 0.430 483 D N 0.839 121.151 120.400 -0.147 0.000 2.149 483 D HA -0.143 4.497 4.640 0.001 0.000 0.206 483 D C 2.137 178.484 176.300 0.077 0.000 0.967 483 D CA 1.230 55.259 54.000 0.049 0.000 0.848 483 D CB 0.168 41.030 40.800 0.102 0.000 0.998 483 D HN 0.025 nan 8.370 nan 0.000 0.474 484 K N -0.257 120.105 120.400 -0.063 0.000 2.044 484 K HA 0.039 4.360 4.320 0.001 0.000 0.204 484 K C 1.913 178.508 176.600 -0.008 0.000 1.049 484 K CA 0.654 56.900 56.287 -0.068 0.000 0.945 484 K CB 0.083 32.401 32.500 -0.303 0.000 0.724 484 K HN 0.174 nan 8.250 nan 0.000 0.440 485 L N 0.102 121.315 121.223 -0.018 0.000 2.585 485 L HA 0.272 4.612 4.340 0.001 0.000 0.226 485 L C 0.507 177.352 176.870 -0.042 0.000 1.113 485 L CA 0.175 54.999 54.840 -0.026 0.000 0.876 485 L CB 0.300 42.287 42.059 -0.119 0.000 1.072 485 L HN 0.152 nan 8.230 nan 0.000 0.468 486 A N 1.092 123.902 122.820 -0.018 0.000 2.667 486 A HA -0.183 4.138 4.320 0.001 0.000 0.298 486 A C 0.130 177.678 177.584 -0.060 0.000 1.483 486 A CA 0.457 52.494 52.037 -0.000 0.000 0.738 486 A CB -2.316 16.692 19.000 0.012 0.000 1.067 486 A HN 0.328 nan 8.150 nan 0.000 0.451 487 L N -0.288 120.880 121.223 -0.093 0.000 2.421 487 L HA 0.463 4.803 4.340 0.001 0.000 0.263 487 L C 1.336 178.175 176.870 -0.052 0.000 1.122 487 L CA -0.756 54.006 54.840 -0.130 0.000 0.804 487 L CB 0.699 42.659 42.059 -0.165 0.000 1.150 487 L HN 0.536 nan 8.230 nan 0.000 0.457 488 R N 0.581 121.058 120.500 -0.038 0.000 2.539 488 R HA 0.215 4.555 4.340 0.001 0.000 0.275 488 R C 1.076 177.366 176.300 -0.017 0.000 1.077 488 R CA 0.153 56.251 56.100 -0.003 0.000 1.097 488 R CB 0.902 31.210 30.300 0.014 0.000 1.018 488 R HN 0.831 nan 8.270 nan 0.000 0.483 489 A N 2.520 125.336 122.820 -0.006 0.000 1.915 489 A HA -0.133 4.187 4.320 0.001 0.000 0.220 489 A C 1.148 178.712 177.584 -0.033 0.000 1.198 489 A CA 1.848 53.871 52.037 -0.023 0.000 0.647 489 A CB -0.931 18.067 19.000 -0.004 0.000 0.825 489 A HN 1.020 nan 8.150 nan 0.000 0.456 490 G N -0.788 108.001 108.800 -0.019 0.000 2.963 490 G HA2 -0.129 3.831 3.960 0.001 0.000 0.262 490 G HA3 -0.129 3.831 3.960 0.001 0.000 0.262 490 G C -0.541 174.352 174.900 -0.011 0.000 1.043 490 G CA 0.051 45.139 45.100 -0.020 0.000 1.223 490 G HN 0.675 nan 8.290 nan 0.000 0.574 491 N N 0.972 119.670 118.700 -0.004 0.000 2.513 491 N HA 0.438 5.178 4.740 0.001 0.000 0.274 491 N C 0.510 176.020 175.510 -0.000 0.000 1.189 491 N CA -0.325 52.724 53.050 -0.002 0.000 0.975 491 N CB 0.614 39.102 38.487 0.002 0.000 1.157 491 N HN 0.579 nan 8.380 nan 0.000 0.465 492 E N 1.899 122.099 120.200 -0.000 0.000 2.180 492 E HA 0.110 4.461 4.350 0.001 0.000 0.283 492 E C -0.940 175.659 176.600 -0.000 0.000 1.061 492 E CA -0.283 56.118 56.400 0.001 0.000 0.861 492 E CB 0.381 30.082 29.700 0.001 0.000 1.056 492 E HN 0.464 nan 8.360 nan 0.000 0.407 493 K N 2.865 123.265 120.400 -0.000 0.000 2.207 493 K HA 0.379 4.700 4.320 0.001 0.000 0.255 493 K C -0.116 176.481 176.600 -0.005 0.000 0.941 493 K CA -0.956 55.328 56.287 -0.004 0.000 0.825 493 K CB 1.736 34.233 32.500 -0.006 0.000 1.119 493 K HN 0.262 nan 8.250 nan 0.000 0.430 494 E N 2.890 123.085 120.200 -0.009 0.000 2.376 494 E HA -0.039 4.311 4.350 0.001 0.000 0.266 494 E C -0.317 176.277 176.600 -0.009 0.000 1.009 494 E CA 0.135 56.530 56.400 -0.008 0.000 0.902 494 E CB 0.686 30.380 29.700 -0.010 0.000 0.972 494 E HN 0.569 nan 8.360 nan 0.000 0.439 495 E N 1.097 121.295 120.200 -0.004 0.000 2.351 495 E HA 0.260 4.610 4.350 0.001 0.000 0.266 495 E C 0.769 177.368 176.600 -0.001 0.000 1.031 495 E CA 0.183 56.582 56.400 -0.002 0.000 0.911 495 E CB 0.221 29.924 29.700 0.005 0.000 0.986 495 E HN 0.708 nan 8.360 nan 0.000 0.446 496 G N 3.156 111.954 108.800 -0.005 0.000 2.195 496 G HA2 -0.279 3.681 3.960 0.001 0.000 0.246 496 G HA3 -0.279 3.681 3.960 0.001 0.000 0.246 496 G C 0.777 175.678 174.900 0.002 0.000 0.984 496 G CA 0.177 45.279 45.100 0.004 0.000 0.633 496 G HN 0.559 nan 8.290 nan 0.000 0.525 497 E N 0.319 120.510 120.200 -0.015 0.000 2.340 497 E HA 0.143 4.494 4.350 0.001 0.000 0.194 497 E C 1.207 177.793 176.600 -0.024 0.000 0.996 497 E CA 1.637 58.032 56.400 -0.008 0.000 0.869 497 E CB 0.519 30.211 29.700 -0.014 0.000 0.835 497 E HN 0.789 nan 8.360 nan 0.000 0.493 498 T N -2.071 112.406 114.554 -0.129 0.000 2.816 498 T HA 0.660 5.010 4.350 0.001 0.000 0.299 498 T C -0.359 174.145 174.700 -0.328 0.000 1.230 498 T CA -0.764 61.125 62.100 -0.352 0.000 1.007 498 T CB 1.778 70.553 68.868 -0.155 0.000 1.289 498 T HN 0.030 nan 8.240 nan 0.000 0.508 499 A N 0.523 123.099 122.820 -0.407 0.000 2.445 499 A HA 0.360 4.680 4.320 0.001 0.000 0.242 499 A C 0.467 178.013 177.584 -0.064 0.000 1.075 499 A CA -0.331 51.603 52.037 -0.173 0.000 0.777 499 A CB -0.255 18.682 19.000 -0.106 0.000 1.013 499 A HN 0.874 nan 8.150 nan 0.000 0.493 500 D N 1.739 122.133 120.400 -0.010 0.000 2.380 500 D HA 0.142 4.782 4.640 0.001 0.000 0.270 500 D C 0.114 176.444 176.300 0.049 0.000 1.363 500 D CA 0.953 54.971 54.000 0.030 0.000 1.057 500 D CB -0.070 40.764 40.800 0.058 0.000 1.096 500 D HN 0.645 nan 8.370 nan 0.000 0.524 501 T N -0.366 114.209 114.554 0.035 0.000 2.906 501 T HA 0.649 4.999 4.350 0.001 0.000 0.295 501 T C -0.077 174.638 174.700 0.025 0.000 1.061 501 T CA -0.838 61.291 62.100 0.047 0.000 1.000 501 T CB 1.931 70.829 68.868 0.048 0.000 1.103 501 T HN 0.057 nan 8.240 nan 0.000 0.486 502 V N -0.799 119.121 119.914 0.011 0.000 3.102 502 V HA 1.052 5.172 4.120 0.001 0.000 0.312 502 V C 0.312 176.368 176.094 -0.063 0.000 1.135 502 V CA -0.357 61.900 62.300 -0.071 0.000 1.022 502 V CB 1.344 33.025 31.823 -0.237 0.000 1.056 502 V HN 1.311 nan 8.190 nan 0.000 0.436 503 G N -1.280 107.456 108.800 -0.107 0.000 3.234 503 G HA2 0.377 4.337 3.960 0.001 0.000 0.159 503 G HA3 0.377 4.337 3.960 0.001 0.000 0.159 503 G C 0.674 175.471 174.900 -0.172 0.000 1.175 503 G CA 0.328 45.378 45.100 -0.084 0.000 0.900 503 G HN 1.096 nan 8.290 nan 0.000 0.621 504 C N -0.688 118.560 119.300 -0.087 0.000 2.543 504 C HA 0.019 4.480 4.460 0.001 0.000 0.281 504 C C 3.006 178.037 174.990 0.068 0.000 1.276 504 C CA 1.629 60.630 59.018 -0.028 0.000 1.700 504 C CB -0.975 26.745 27.740 -0.034 0.000 2.093 504 C HN 0.566 nan 8.230 nan 0.000 0.488 505 C N 1.205 120.503 119.300 -0.004 0.000 2.437 505 C HA 0.032 4.492 4.460 0.001 0.000 0.283 505 C C 2.696 177.752 174.990 0.111 0.000 1.424 505 C CA 1.205 60.242 59.018 0.033 0.000 1.782 505 C CB -1.586 26.123 27.740 -0.050 0.000 1.833 505 C HN 0.750 nan 8.230 nan 0.000 0.532 506 S N 0.158 115.890 115.700 0.053 0.000 2.556 506 S HA 0.226 4.696 4.470 0.001 0.000 0.216 506 S C 0.618 175.239 174.600 0.035 0.000 0.970 506 S CA -0.109 58.111 58.200 0.033 0.000 0.912 506 S CB -0.101 63.097 63.200 -0.004 0.000 0.790 506 S HN 0.530 nan 8.310 nan 0.000 0.504 507 L N 2.395 123.637 121.223 0.032 0.000 2.506 507 L HA 0.102 4.442 4.340 0.001 0.000 0.281 507 L C 0.774 177.698 176.870 0.091 0.000 1.228 507 L CA 0.414 55.273 54.840 0.031 0.000 0.850 507 L CB 0.276 42.322 42.059 -0.021 0.000 1.110 507 L HN 0.157 nan 8.230 nan 0.000 0.496 508 R N 1.238 121.858 120.500 0.201 0.000 2.923 508 R HA 0.330 4.671 4.340 0.001 0.000 0.252 508 R C 0.764 176.973 176.300 -0.152 0.000 1.130 508 R CA -1.014 55.053 56.100 -0.055 0.000 1.043 508 R CB 1.257 31.458 30.300 -0.165 0.000 1.205 508 R HN 0.317 nan 8.270 nan 0.000 0.495 509 V N 1.461 121.274 119.914 -0.168 0.000 2.867 509 V HA -0.207 3.913 4.120 0.001 0.000 0.260 509 V C 1.900 177.890 176.094 -0.174 0.000 1.099 509 V CA 2.055 64.259 62.300 -0.160 0.000 1.122 509 V CB -1.013 30.733 31.823 -0.128 0.000 0.708 509 V HN 0.805 nan 8.190 nan 0.000 0.490 510 E N -0.725 119.320 120.200 -0.259 0.000 2.442 510 E HA -0.143 4.207 4.350 0.001 0.000 0.195 510 E C 1.637 178.127 176.600 -0.183 0.000 1.030 510 E CA 0.740 56.995 56.400 -0.241 0.000 0.869 510 E CB -0.318 29.219 29.700 -0.270 0.000 0.857 510 E HN 0.763 nan 8.360 nan 0.000 0.505 511 H N 1.286 120.361 119.070 0.008 0.000 2.525 511 H HA 0.215 4.771 4.556 0.000 0.000 0.275 511 H C 0.816 176.172 175.328 0.046 0.000 0.984 511 H CA 0.481 56.579 56.048 0.084 0.000 1.264 511 H CB 0.234 30.034 29.762 0.063 0.000 1.432 511 H HN 0.255 nan 8.280 nan 0.000 0.549 512 I N -1.143 119.418 120.570 -0.016 0.000 2.474 512 I HA 0.420 4.591 4.170 0.001 0.000 0.294 512 I C -0.991 175.033 176.117 -0.156 0.000 1.005 512 I CA -1.058 60.125 61.300 -0.193 0.000 1.113 512 I CB 2.050 39.808 38.000 -0.403 0.000 1.289 512 I HN -0.095 nan 8.210 nan 0.000 0.436 513 N N 6.939 125.559 118.700 -0.134 0.000 2.448 513 N HA 0.484 5.224 4.740 0.001 0.000 0.279 513 N C -1.148 174.289 175.510 -0.122 0.000 1.025 513 N CA -0.424 52.560 53.050 -0.109 0.000 0.898 513 N CB 2.717 41.211 38.487 0.012 0.000 1.303 513 N HN 0.599 nan 8.380 nan 0.000 0.495 514 L N 2.653 123.747 121.223 -0.214 0.000 2.290 514 L HA 0.329 4.669 4.340 0.001 0.000 0.284 514 L C -0.297 176.533 176.870 -0.066 0.000 1.078 514 L CA -0.329 54.438 54.840 -0.123 0.000 0.815 514 L CB 0.229 42.056 42.059 -0.386 0.000 1.162 514 L HN 0.402 nan 8.230 nan 0.000 0.435 515 H N 3.338 122.614 119.070 0.344 0.000 2.727 515 H HA 0.246 4.803 4.556 0.000 0.000 0.330 515 H C -1.946 173.473 175.328 0.152 0.000 0.986 515 H CA -1.404 54.779 56.048 0.226 0.000 1.251 515 H CB 1.821 31.648 29.762 0.108 0.000 1.493 515 H HN 0.305 nan 8.280 nan 0.000 0.515 516 P HA -0.085 nan 4.420 nan 0.000 0.220 516 P C 0.529 177.687 177.300 -0.236 0.000 1.152 516 P CA 1.012 63.985 63.100 -0.212 0.000 0.812 516 P CB 0.900 32.541 31.700 -0.097 0.000 0.792 517 E N -1.543 118.618 120.200 -0.065 0.000 3.617 517 E HA 0.412 4.762 4.350 0.001 0.000 0.351 517 E C -0.601 175.975 176.600 -0.039 0.000 0.551 517 E CA -0.753 55.602 56.400 -0.075 0.000 2.098 517 E CB 0.097 29.773 29.700 -0.041 0.000 2.118 517 E HN -0.255 nan 8.360 nan 0.000 0.450 518 L N 1.448 122.647 121.223 -0.039 0.000 0.651 518 L HA -0.230 4.111 4.340 0.001 0.000 0.358 518 L C -0.720 176.113 176.870 -0.061 0.000 1.004 518 L CA 1.317 56.111 54.840 -0.076 0.000 1.222 518 L CB -0.161 41.787 42.059 -0.186 0.000 0.111 518 L HN 0.870 nan 8.230 nan 0.000 0.117 519 D N 2.284 122.653 120.400 -0.053 0.000 2.978 519 D HA -0.239 4.402 4.640 0.001 0.000 0.205 519 D C 1.259 177.543 176.300 -0.027 0.000 1.093 519 D CA 2.310 56.291 54.000 -0.033 0.000 1.006 519 D CB -1.172 39.614 40.800 -0.024 0.000 1.116 519 D HN 2.007 nan 8.370 nan 0.000 0.419 520 G N -0.173 108.606 108.800 -0.036 0.000 2.268 520 G HA2 -0.332 3.628 3.960 0.001 0.000 0.240 520 G HA3 -0.332 3.628 3.960 0.001 0.000 0.240 520 G C 0.236 175.110 174.900 -0.044 0.000 1.010 520 G CA 0.691 45.770 45.100 -0.035 0.000 0.618 520 G HN 0.473 nan 8.290 nan 0.000 0.516 521 Q N 0.925 120.700 119.800 -0.041 0.000 2.205 521 Q HA 0.547 4.887 4.340 0.001 0.000 0.249 521 Q C 0.083 176.028 176.000 -0.091 0.000 0.948 521 Q CA -0.514 55.263 55.803 -0.044 0.000 0.895 521 Q CB 1.113 29.848 28.738 -0.005 0.000 1.249 521 Q HN 0.635 nan 8.270 nan 0.000 0.458 522 E N 1.032 121.150 120.200 -0.137 0.000 2.222 522 E HA 0.149 4.499 4.350 0.001 0.000 0.272 522 E C -0.938 175.521 176.600 -0.236 0.000 0.982 522 E CA -1.021 55.188 56.400 -0.318 0.000 0.842 522 E CB 0.858 30.229 29.700 -0.548 0.000 1.144 522 E HN 0.710 nan 8.360 nan 0.000 0.397 523 Y N -1.168 118.942 120.300 -0.316 0.000 3.057 523 Y HA -0.197 4.353 4.550 0.000 0.000 0.192 523 Y C -0.478 175.385 175.900 -0.062 0.000 1.448 523 Y CA -0.217 57.561 58.100 -0.536 0.000 1.065 523 Y CB -1.641 36.552 38.460 -0.445 0.000 1.369 523 Y HN 0.271 nan 8.280 nan 0.000 0.460 524 V N 1.603 121.618 119.914 0.168 0.000 2.465 524 V HA 0.395 4.515 4.120 0.001 0.000 0.279 524 V C 0.348 176.665 176.094 0.372 0.000 1.045 524 V CA -0.834 61.617 62.300 0.252 0.000 0.938 524 V CB 1.752 33.652 31.823 0.129 0.000 0.986 524 V HN 0.121 nan 8.190 nan 0.000 0.467 525 V N 4.681 124.757 119.914 0.270 0.000 2.328 525 V HA 0.317 4.437 4.120 0.001 0.000 0.278 525 V C 0.224 176.289 176.094 -0.048 0.000 1.021 525 V CA -0.546 61.797 62.300 0.071 0.000 0.838 525 V CB 1.342 33.143 31.823 -0.037 0.000 0.999 525 V HN 0.936 nan 8.190 nan 0.000 0.447 526 E N 4.727 124.903 120.200 -0.040 0.000 2.052 526 E HA 0.340 4.690 4.350 0.001 0.000 0.283 526 E C -1.229 175.288 176.600 -0.138 0.000 1.071 526 E CA -0.465 55.904 56.400 -0.052 0.000 0.851 526 E CB 0.489 30.249 29.700 0.100 0.000 1.066 526 E HN 0.526 nan 8.360 nan 0.000 0.396 527 F N 3.071 122.980 119.950 -0.069 0.000 2.394 527 F HA 0.240 4.767 4.527 0.000 0.000 0.340 527 F C 0.437 176.292 175.800 0.092 0.000 1.105 527 F CA -0.298 57.766 58.000 0.106 0.000 1.124 527 F CB 1.163 40.307 39.000 0.240 0.000 1.145 527 F HN 0.353 nan 8.300 nan 0.000 0.505 528 D N 4.615 125.318 120.400 0.507 0.000 2.337 528 D HA 0.259 4.899 4.640 0.001 0.000 0.238 528 D C -1.356 175.255 176.300 0.518 0.000 1.331 528 D CA -0.136 54.131 54.000 0.445 0.000 0.967 528 D CB 0.402 41.459 40.800 0.428 0.000 1.382 528 D HN 0.249 nan 8.370 nan 0.000 0.549 529 F N 0.401 120.500 119.950 0.247 0.000 2.715 529 F HA 0.670 5.197 4.527 0.000 0.000 0.318 529 F C -1.785 174.058 175.800 0.073 0.000 1.141 529 F CA -1.252 56.795 58.000 0.079 0.000 0.950 529 F CB 1.144 40.016 39.000 -0.214 0.000 1.374 529 F HN -0.079 nan 8.300 nan 0.000 0.477 530 L N 1.819 123.198 121.223 0.261 0.000 2.296 530 L HA 0.739 5.079 4.340 0.001 0.000 0.286 530 L C 0.431 177.441 176.870 0.233 0.000 1.023 530 L CA -0.549 54.383 54.840 0.152 0.000 0.812 530 L CB 1.176 43.306 42.059 0.119 0.000 1.223 530 L HN 1.030 nan 8.230 nan 0.000 0.421 531 G N 2.058 110.950 108.800 0.153 0.000 2.849 531 G HA2 0.242 4.202 3.960 0.001 0.000 0.174 531 G HA3 0.242 4.202 3.960 0.001 0.000 0.174 531 G C -0.636 174.323 174.900 0.098 0.000 1.370 531 G CA -0.618 44.583 45.100 0.168 0.000 1.040 531 G HN 0.521 nan 8.290 nan 0.000 0.582 532 K N 0.305 120.754 120.400 0.082 0.000 2.485 532 K HA 0.056 4.376 4.320 0.001 0.000 0.277 532 K C -0.253 176.385 176.600 0.063 0.000 0.990 532 K CA 0.604 56.931 56.287 0.067 0.000 0.994 532 K CB 0.133 32.672 32.500 0.065 0.000 0.906 532 K HN 0.487 nan 8.250 nan 0.000 0.488 533 D N 1.568 122.002 120.400 0.056 0.000 3.059 533 D HA -0.202 4.439 4.640 0.001 0.000 0.220 533 D C -0.278 176.049 176.300 0.046 0.000 1.169 533 D CA 1.401 55.430 54.000 0.049 0.000 0.902 533 D CB -1.364 39.460 40.800 0.039 0.000 1.116 533 D HN 0.714 nan 8.370 nan 0.000 0.417 534 S N -1.187 114.544 115.700 0.052 0.000 3.641 534 S HA -0.246 4.224 4.470 0.001 0.000 0.346 534 S C 0.242 174.870 174.600 0.046 0.000 1.074 534 S CA 0.652 58.883 58.200 0.052 0.000 1.026 534 S CB -1.331 61.897 63.200 0.047 0.000 0.908 534 S HN 0.507 nan 8.310 nan 0.000 0.479 535 I N 1.875 122.472 120.570 0.045 0.000 2.315 535 I HA 0.272 4.442 4.170 0.001 0.000 0.291 535 I C 0.898 177.026 176.117 0.018 0.000 1.006 535 I CA -0.573 60.747 61.300 0.034 0.000 1.265 535 I CB 1.071 39.096 38.000 0.042 0.000 1.387 535 I HN 0.238 nan 8.210 nan 0.000 0.475 536 R N 5.744 126.247 120.500 0.007 0.000 2.502 536 R HA -0.019 4.322 4.340 0.001 0.000 0.292 536 R C -1.311 174.952 176.300 -0.062 0.000 0.998 536 R CA 0.227 56.316 56.100 -0.018 0.000 1.056 536 R CB 0.287 30.587 30.300 -0.001 0.000 0.939 536 R HN 0.493 nan 8.270 nan 0.000 0.411 537 Y N 5.496 125.583 120.300 -0.355 0.000 2.356 537 Y HA 0.232 4.783 4.550 0.000 0.000 0.334 537 Y C -1.640 174.080 175.900 -0.299 0.000 0.958 537 Y CA -0.806 57.003 58.100 -0.485 0.000 1.196 537 Y CB 0.811 38.637 38.460 -1.057 0.000 1.137 537 Y HN 0.598 nan 8.280 nan 0.000 0.485 538 Y N 6.823 126.772 120.300 -0.585 0.000 2.326 538 Y HA 0.528 5.078 4.550 0.001 0.000 0.329 538 Y C -1.614 174.030 175.900 -0.427 0.000 0.973 538 Y CA -0.830 57.071 58.100 -0.332 0.000 1.162 538 Y CB 0.914 39.274 38.460 -0.167 0.000 1.147 538 Y HN 0.722 nan 8.280 nan 0.000 0.456 539 N N 4.445 122.678 118.700 -0.778 0.000 2.455 539 N HA 0.268 5.008 4.740 0.001 0.000 0.285 539 N C -2.026 173.313 175.510 -0.285 0.000 1.080 539 N CA -0.744 51.992 53.050 -0.522 0.000 0.932 539 N CB 1.568 39.769 38.487 -0.478 0.000 1.610 539 N HN 0.586 nan 8.380 nan 0.000 0.493 540 K N 1.837 122.083 120.400 -0.257 0.000 2.266 540 K HA 0.417 4.737 4.320 0.001 0.000 0.274 540 K C -0.991 175.624 176.600 0.025 0.000 1.090 540 K CA -0.582 55.647 56.287 -0.096 0.000 0.925 540 K CB 1.691 34.128 32.500 -0.104 0.000 1.225 540 K HN 0.220 nan 8.250 nan 0.000 0.458 541 V N 5.067 125.065 119.914 0.140 0.000 2.540 541 V HA 0.414 4.534 4.120 0.001 0.000 0.302 541 V C -2.650 173.589 176.094 0.241 0.000 1.035 541 V CA -2.679 59.731 62.300 0.184 0.000 0.873 541 V CB 2.091 34.046 31.823 0.220 0.000 0.992 541 V HN 0.495 nan 8.190 nan 0.000 0.428 542 P HA 0.327 nan 4.420 nan 0.000 0.281 542 P C -0.798 176.688 177.300 0.310 0.000 1.252 542 P CA 0.074 63.311 63.100 0.229 0.000 0.778 542 P CB 1.127 32.922 31.700 0.159 0.000 0.895 543 V N 0.372 120.497 119.914 0.352 0.000 3.177 543 V HA 0.523 4.643 4.120 0.001 0.000 0.319 543 V C 0.115 176.322 176.094 0.188 0.000 1.125 543 V CA -0.960 61.562 62.300 0.370 0.000 1.029 543 V CB 1.321 33.406 31.823 0.436 0.000 1.119 543 V HN 0.331 nan 8.190 nan 0.000 0.452 544 E N 0.405 120.620 120.200 0.024 0.000 2.374 544 E HA 0.133 4.483 4.350 0.001 0.000 0.260 544 E C 0.595 177.033 176.600 -0.270 0.000 1.101 544 E CA -0.288 56.064 56.400 -0.079 0.000 0.907 544 E CB 1.192 30.849 29.700 -0.071 0.000 1.014 544 E HN 0.741 nan 8.360 nan 0.000 0.427 545 K N 1.817 122.049 120.400 -0.280 0.000 2.071 545 K HA -0.276 4.044 4.320 0.001 0.000 0.217 545 K C 1.722 178.064 176.600 -0.430 0.000 1.054 545 K CA 1.638 57.630 56.287 -0.492 0.000 0.937 545 K CB 0.100 32.462 32.500 -0.230 0.000 0.719 545 K HN 0.282 nan 8.250 nan 0.000 0.454 546 R N 0.301 120.606 120.500 -0.325 0.000 2.189 546 R HA -0.027 4.314 4.340 0.001 0.000 0.218 546 R C 2.201 178.163 176.300 -0.564 0.000 1.074 546 R CA 0.723 56.629 56.100 -0.323 0.000 0.991 546 R CB -0.186 30.057 30.300 -0.096 0.000 0.883 546 R HN 0.185 nan 8.270 nan 0.000 0.457 547 V N 0.191 119.621 119.914 -0.807 0.000 2.453 547 V HA -0.179 3.942 4.120 0.001 0.000 0.247 547 V C 1.979 177.826 176.094 -0.411 0.000 1.048 547 V CA 1.271 63.059 62.300 -0.854 0.000 1.049 547 V CB -0.650 30.597 31.823 -0.959 0.000 0.672 547 V HN 0.099 nan 8.190 nan 0.000 0.457 548 F N 1.394 121.094 119.950 -0.417 0.000 2.113 548 F HA -0.123 4.404 4.527 0.001 0.000 0.297 548 F C 2.277 177.894 175.800 -0.306 0.000 1.103 548 F CA 1.714 59.545 58.000 -0.282 0.000 1.248 548 F CB -0.089 38.741 39.000 -0.284 0.000 0.999 548 F HN -0.017 nan 8.300 nan 0.000 0.475 549 K N -0.050 120.251 120.400 -0.164 0.000 2.555 549 K HA -0.072 4.249 4.320 0.001 0.000 0.193 549 K C 1.356 177.740 176.600 -0.359 0.000 1.032 549 K CA 0.341 56.506 56.287 -0.202 0.000 1.004 549 K CB -0.155 32.269 32.500 -0.127 0.000 0.804 549 K HN 0.283 nan 8.250 nan 0.000 0.496 550 N N 0.581 118.975 118.700 -0.511 0.000 2.436 550 N HA 0.061 4.801 4.740 0.001 0.000 0.178 550 N C 1.568 176.252 175.510 -1.378 0.000 1.026 550 N CA 0.584 53.144 53.050 -0.816 0.000 0.880 550 N CB 0.206 38.313 38.487 -0.633 0.000 1.061 550 N HN 0.080 nan 8.380 nan 0.000 0.434 551 L N 1.374 122.064 121.223 -0.889 0.000 2.362 551 L HA -0.069 4.272 4.340 0.001 0.000 0.219 551 L C 2.169 178.702 176.870 -0.560 0.000 1.134 551 L CA 0.767 55.209 54.840 -0.665 0.000 0.807 551 L CB -0.111 41.722 42.059 -0.377 0.000 0.927 551 L HN 0.154 nan 8.230 nan 0.000 0.447 552 Q N -0.774 118.688 119.800 -0.562 0.000 2.212 552 Q HA -0.100 4.241 4.340 0.001 0.000 0.199 552 Q C 2.032 177.854 176.000 -0.298 0.000 0.950 552 Q CA 0.834 56.404 55.803 -0.389 0.000 0.863 552 Q CB 0.124 28.668 28.738 -0.323 0.000 0.944 552 Q HN 0.361 nan 8.270 nan 0.000 0.465 553 L N -0.561 120.430 121.223 -0.387 0.000 2.313 553 L HA -0.057 4.284 4.340 0.001 0.000 0.214 553 L C 1.644 178.489 176.870 -0.043 0.000 1.119 553 L CA 1.368 56.071 54.840 -0.227 0.000 0.809 553 L CB -0.385 41.528 42.059 -0.243 0.000 0.933 553 L HN 0.141 nan 8.230 nan 0.000 0.449 554 F N -1.710 118.164 119.950 -0.126 0.000 2.473 554 F HA 0.072 4.600 4.527 0.001 0.000 0.294 554 F C 2.160 177.865 175.800 -0.157 0.000 1.103 554 F CA 0.399 58.316 58.000 -0.138 0.000 1.442 554 F CB -0.938 37.946 39.000 -0.193 0.000 1.097 554 F HN 0.036 nan 8.300 nan 0.000 0.547 555 M N -0.547 119.034 119.600 -0.032 0.000 2.556 555 M HA 0.023 4.503 4.480 0.001 0.000 0.245 555 M C 0.375 176.633 176.300 -0.071 0.000 1.128 555 M CA 0.248 55.499 55.300 -0.082 0.000 1.069 555 M CB -0.131 32.381 32.600 -0.146 0.000 1.469 555 M HN -0.097 nan 8.290 nan 0.000 0.494 556 E N 3.170 123.336 120.200 -0.057 0.000 2.417 556 E HA -0.075 4.275 4.350 0.001 0.000 0.261 556 E C 0.065 176.647 176.600 -0.031 0.000 1.000 556 E CA 0.089 56.461 56.400 -0.047 0.000 0.919 556 E CB 0.175 29.851 29.700 -0.041 0.000 0.955 556 E HN 0.404 nan 8.360 nan 0.000 0.455 557 N N 3.091 121.770 118.700 -0.035 0.000 2.702 557 N HA -0.277 4.464 4.740 0.001 0.000 0.255 557 N C -1.161 174.333 175.510 -0.027 0.000 0.983 557 N CA 0.781 53.814 53.050 -0.028 0.000 0.768 557 N CB -0.798 37.676 38.487 -0.021 0.000 0.918 557 N HN 0.346 nan 8.380 nan 0.000 0.540 558 K N 0.176 120.555 120.400 -0.035 0.000 2.318 558 K HA 0.301 4.621 4.320 0.001 0.000 0.249 558 K C -0.001 176.572 176.600 -0.044 0.000 0.942 558 K CA -0.789 55.476 56.287 -0.037 0.000 0.808 558 K CB 1.648 34.122 32.500 -0.044 0.000 1.189 558 K HN 0.089 nan 8.250 nan 0.000 0.428 559 Q N 1.265 121.041 119.800 -0.040 0.000 2.354 559 Q HA 0.126 4.467 4.340 0.001 0.000 0.244 559 Q C -1.818 174.148 176.000 -0.057 0.000 0.969 559 Q CA -1.679 54.099 55.803 -0.042 0.000 0.885 559 Q CB 0.632 29.351 28.738 -0.033 0.000 1.241 559 Q HN 0.306 nan 8.270 nan 0.000 0.461 560 P HA -0.212 nan 4.420 nan 0.000 0.218 560 P C 0.588 177.826 177.300 -0.103 0.000 1.146 560 P CA 1.577 64.625 63.100 -0.085 0.000 0.813 560 P CB 0.243 31.899 31.700 -0.073 0.000 0.778 561 E N -1.643 118.513 120.200 -0.073 0.000 2.479 561 E HA 0.018 4.369 4.350 0.001 0.000 0.193 561 E C 0.073 176.641 176.600 -0.053 0.000 1.049 561 E CA -0.122 56.239 56.400 -0.065 0.000 0.870 561 E CB -0.399 29.279 29.700 -0.037 0.000 0.944 561 E HN 0.137 nan 8.360 nan 0.000 0.492 562 D N 1.803 122.170 120.400 -0.056 0.000 2.339 562 D HA 0.086 4.726 4.640 0.001 0.000 0.245 562 D C -0.645 175.622 176.300 -0.053 0.000 1.115 562 D CA -0.211 53.761 54.000 -0.045 0.000 0.917 562 D CB 0.953 41.727 40.800 -0.043 0.000 1.192 562 D HN 0.056 nan 8.370 nan 0.000 0.428 563 D N 1.051 121.429 120.400 -0.036 0.000 2.383 563 D HA 0.008 4.649 4.640 0.001 0.000 0.252 563 D C 1.236 177.492 176.300 -0.073 0.000 1.166 563 D CA -0.400 53.580 54.000 -0.032 0.000 0.879 563 D CB 1.034 41.834 40.800 -0.001 0.000 1.164 563 D HN 0.159 nan 8.370 nan 0.000 0.462 564 L N 2.982 124.126 121.223 -0.133 0.000 2.012 564 L HA -0.058 4.282 4.340 0.001 0.000 0.210 564 L C 0.551 177.187 176.870 -0.391 0.000 1.073 564 L CA 1.776 56.444 54.840 -0.288 0.000 0.748 564 L CB -0.227 41.563 42.059 -0.447 0.000 0.891 564 L HN 0.294 nan 8.230 nan 0.000 0.431 565 F N 1.816 121.728 119.950 -0.064 0.000 2.508 565 F HA 0.240 4.767 4.527 0.000 0.000 0.329 565 F C 0.534 176.251 175.800 -0.138 0.000 1.198 565 F CA -1.826 56.082 58.000 -0.153 0.000 1.268 565 F CB -1.052 37.880 39.000 -0.114 0.000 1.584 565 F HN 0.217 nan 8.300 nan 0.000 0.570 566 D N 0.015 120.411 120.400 -0.007 0.000 2.363 566 D HA 0.104 4.745 4.640 0.001 0.000 0.240 566 D C 0.780 177.060 176.300 -0.033 0.000 1.236 566 D CA -0.312 53.678 54.000 -0.016 0.000 0.927 566 D CB 0.566 41.348 40.800 -0.030 0.000 1.150 566 D HN 0.460 nan 8.370 nan 0.000 0.458 567 R N -2.798 117.683 120.500 -0.032 0.000 4.016 567 R HA -0.232 4.109 4.340 0.001 0.000 0.385 567 R C -0.498 175.771 176.300 -0.052 0.000 1.158 567 R CA 0.710 56.784 56.100 -0.044 0.000 1.117 567 R CB -1.847 28.417 30.300 -0.060 0.000 1.635 567 R HN 0.429 nan 8.270 nan 0.000 0.560 568 L N 1.117 122.318 121.223 -0.036 0.000 2.464 568 L HA 0.519 4.859 4.340 0.001 0.000 0.266 568 L C -0.878 175.975 176.870 -0.029 0.000 0.965 568 L CA -0.538 54.271 54.840 -0.052 0.000 0.833 568 L CB 1.957 43.961 42.059 -0.091 0.000 1.296 568 L HN 0.256 nan 8.230 nan 0.000 0.405 569 N N -0.211 118.464 118.700 -0.043 0.000 2.902 569 N HA 0.458 5.199 4.740 0.001 0.000 0.268 569 N C 0.364 175.849 175.510 -0.042 0.000 1.450 569 N CA -0.157 52.875 53.050 -0.029 0.000 0.819 569 N CB 0.590 39.067 38.487 -0.017 0.000 1.540 569 N HN 0.427 nan 8.380 nan 0.000 0.545 570 T N -4.100 110.436 114.554 -0.030 0.000 2.881 570 T HA 0.026 4.376 4.350 0.001 0.000 0.270 570 T C 1.758 176.448 174.700 -0.016 0.000 1.068 570 T CA 1.170 63.254 62.100 -0.026 0.000 1.131 570 T CB -1.090 67.769 68.868 -0.015 0.000 0.871 570 T HN 0.679 nan 8.240 nan 0.000 0.479 571 G N 1.479 110.271 108.800 -0.013 0.000 2.408 571 G HA2 -0.013 3.947 3.960 0.001 0.000 0.217 571 G HA3 -0.013 3.947 3.960 0.001 0.000 0.217 571 G C 1.474 176.373 174.900 -0.002 0.000 1.150 571 G CA 0.578 45.675 45.100 -0.005 0.000 0.776 571 G HN 0.553 nan 8.290 nan 0.000 0.542 572 I N 0.161 120.723 120.570 -0.013 0.000 2.163 572 I HA -0.070 4.100 4.170 0.001 0.000 0.240 572 I C 2.624 178.746 176.117 0.009 0.000 1.081 572 I CA 0.545 61.838 61.300 -0.012 0.000 1.353 572 I CB -0.243 37.733 38.000 -0.041 0.000 1.054 572 I HN 0.090 nan 8.210 nan 0.000 0.407 573 L N 0.785 121.999 121.223 -0.015 0.000 2.042 573 L HA -0.253 4.088 4.340 0.001 0.000 0.210 573 L C 2.277 179.184 176.870 0.061 0.000 1.076 573 L CA 1.710 56.554 54.840 0.007 0.000 0.749 573 L CB -0.411 41.612 42.059 -0.060 0.000 0.893 573 L HN 0.378 nan 8.230 nan 0.000 0.432 574 N N -0.028 118.693 118.700 0.035 0.000 2.270 574 N HA -0.141 4.599 4.740 0.001 0.000 0.181 574 N C 1.655 177.188 175.510 0.038 0.000 1.016 574 N CA 0.966 54.039 53.050 0.039 0.000 0.870 574 N CB -0.011 38.491 38.487 0.025 0.000 0.979 574 N HN 0.359 nan 8.380 nan 0.000 0.431 575 K N -0.085 120.341 120.400 0.042 0.000 2.217 575 K HA -0.091 4.230 4.320 0.001 0.000 0.202 575 K C 1.839 178.476 176.600 0.063 0.000 1.051 575 K CA 0.565 56.875 56.287 0.038 0.000 0.952 575 K CB -0.091 32.427 32.500 0.030 0.000 0.736 575 K HN 0.422 nan 8.250 nan 0.000 0.453 576 H N 0.996 120.061 119.070 -0.008 0.000 2.363 576 H HA -0.004 4.552 4.556 0.000 0.000 0.301 576 H C 1.972 177.308 175.328 0.013 0.000 1.074 576 H CA 0.975 57.020 56.048 -0.005 0.000 1.354 576 H CB 0.163 29.913 29.762 -0.019 0.000 1.397 576 H HN 0.079 nan 8.280 nan 0.000 0.516 577 L N 0.710 121.855 121.223 -0.130 0.000 2.141 577 L HA -0.156 4.184 4.340 0.001 0.000 0.209 577 L C 2.755 179.573 176.870 -0.086 0.000 1.094 577 L CA 1.087 55.849 54.840 -0.129 0.000 0.763 577 L CB -0.263 41.825 42.059 0.048 0.000 0.908 577 L HN 0.288 nan 8.230 nan 0.000 0.437 578 Q N -0.084 119.687 119.800 -0.049 0.000 2.224 578 Q HA -0.209 4.131 4.340 0.001 0.000 0.203 578 Q C 1.693 177.662 176.000 -0.051 0.000 0.970 578 Q CA 1.392 57.172 55.803 -0.039 0.000 0.865 578 Q CB -0.109 28.618 28.738 -0.018 0.000 0.922 578 Q HN 0.323 nan 8.270 nan 0.000 0.445 579 D N -1.051 119.310 120.400 -0.065 0.000 2.340 579 D HA 0.008 4.648 4.640 0.001 0.000 0.220 579 D C 1.163 177.413 176.300 -0.084 0.000 1.039 579 D CA 0.162 54.129 54.000 -0.056 0.000 0.866 579 D CB 0.410 41.195 40.800 -0.025 0.000 0.913 579 D HN 0.323 nan 8.370 nan 0.000 0.523 580 L N -0.569 120.580 121.223 -0.123 0.000 2.388 580 L HA 0.284 4.624 4.340 0.001 0.000 0.209 580 L C 0.777 177.597 176.870 -0.083 0.000 1.061 580 L CA 0.245 55.014 54.840 -0.117 0.000 0.834 580 L CB 0.615 42.575 42.059 -0.165 0.000 1.029 580 L HN -0.048 nan 8.230 nan 0.000 0.473 581 M N -0.650 118.903 119.600 -0.079 0.000 2.471 581 M HA 0.221 4.701 4.480 0.001 0.000 0.284 581 M C -1.567 174.693 176.300 -0.066 0.000 1.203 581 M CA -0.631 54.624 55.300 -0.075 0.000 0.915 581 M CB 2.402 34.946 32.600 -0.093 0.000 1.734 581 M HN -0.232 nan 8.290 nan 0.000 0.485 582 E N 1.276 121.439 120.200 -0.062 0.000 2.290 582 E HA 0.502 4.852 4.350 0.001 0.000 0.277 582 E C 0.791 177.356 176.600 -0.058 0.000 1.035 582 E CA 1.797 58.165 56.400 -0.054 0.000 0.873 582 E CB 0.573 30.242 29.700 -0.052 0.000 1.029 582 E HN 0.820 nan 8.360 nan 0.000 0.419 583 G N 3.527 112.298 108.800 -0.048 0.000 2.159 583 G HA2 -0.288 3.673 3.960 0.001 0.000 0.256 583 G HA3 -0.288 3.673 3.960 0.001 0.000 0.256 583 G C -0.172 174.702 174.900 -0.043 0.000 0.977 583 G CA 0.200 45.272 45.100 -0.046 0.000 0.652 583 G HN 0.521 nan 8.290 nan 0.000 0.531 584 L N 2.562 123.758 121.223 -0.044 0.000 2.331 584 L HA 0.722 5.063 4.340 0.001 0.000 0.278 584 L C 0.785 177.667 176.870 0.019 0.000 1.106 584 L CA 0.870 55.689 54.840 -0.036 0.000 0.824 584 L CB 1.059 43.087 42.059 -0.051 0.000 1.142 584 L HN 0.554 nan 8.230 nan 0.000 0.443 585 T N 1.212 115.799 114.554 0.054 0.000 2.883 585 T HA 0.621 4.971 4.350 0.001 0.000 0.301 585 T C 0.740 175.559 174.700 0.199 0.000 1.158 585 T CA -0.315 61.842 62.100 0.095 0.000 1.007 585 T CB 1.349 70.249 68.868 0.053 0.000 1.186 585 T HN 0.576 nan 8.240 nan 0.000 0.499 586 A N 0.455 123.389 122.820 0.189 0.000 2.131 586 A HA -0.026 4.294 4.320 0.001 0.000 0.220 586 A C 2.114 179.846 177.584 0.247 0.000 1.158 586 A CA 1.652 53.832 52.037 0.237 0.000 0.665 586 A CB -0.764 18.275 19.000 0.065 0.000 0.795 586 A HN 0.879 nan 8.150 nan 0.000 0.460 587 K N -0.175 120.323 120.400 0.164 0.000 2.217 587 K HA -0.022 4.298 4.320 0.001 0.000 0.202 587 K C 1.564 178.253 176.600 0.147 0.000 1.051 587 K CA 1.163 57.527 56.287 0.129 0.000 0.952 587 K CB -0.115 32.432 32.500 0.078 0.000 0.736 587 K HN 0.302 nan 8.250 nan 0.000 0.453 588 V N 0.803 120.800 119.914 0.137 0.000 2.427 588 V HA -0.188 3.932 4.120 0.001 0.000 0.248 588 V C 1.769 177.919 176.094 0.094 0.000 1.051 588 V CA 1.473 63.809 62.300 0.060 0.000 1.048 588 V CB -0.581 31.197 31.823 -0.075 0.000 0.666 588 V HN 0.218 nan 8.190 nan 0.000 0.456 589 F N 0.158 120.186 119.950 0.130 0.000 2.408 589 F HA -0.084 4.443 4.527 0.000 0.000 0.300 589 F C 2.524 178.444 175.800 0.200 0.000 1.090 589 F CA 1.446 59.557 58.000 0.186 0.000 1.427 589 F CB -0.277 38.794 39.000 0.118 0.000 1.070 589 F HN -0.020 nan 8.300 nan 0.000 0.549 590 R N -0.487 120.194 120.500 0.301 0.000 2.080 590 R HA -0.056 4.284 4.340 0.001 0.000 0.222 590 R C 2.122 178.524 176.300 0.170 0.000 1.107 590 R CA 1.560 57.777 56.100 0.195 0.000 0.980 590 R CB -0.369 30.017 30.300 0.144 0.000 0.879 590 R HN 0.086 nan 8.270 nan 0.000 0.439 591 T N 0.213 114.879 114.554 0.188 0.000 2.821 591 T HA -0.181 4.170 4.350 0.001 0.000 0.267 591 T C 1.284 176.115 174.700 0.219 0.000 1.046 591 T CA 1.430 63.653 62.100 0.204 0.000 1.139 591 T CB -0.388 68.599 68.868 0.198 0.000 0.871 591 T HN 0.326 nan 8.240 nan 0.000 0.454 592 Y N 2.474 122.861 120.300 0.146 0.000 2.070 592 Y HA -0.127 4.423 4.550 0.000 0.000 0.279 592 Y C 2.047 178.008 175.900 0.102 0.000 1.134 592 Y CA 1.490 59.692 58.100 0.170 0.000 1.113 592 Y CB -0.851 37.665 38.460 0.093 0.000 0.981 592 Y HN 0.114 nan 8.280 nan 0.000 0.487 593 N N 0.043 118.685 118.700 -0.097 0.000 2.513 593 N HA -0.131 4.610 4.740 0.001 0.000 0.187 593 N C 1.522 176.936 175.510 -0.159 0.000 1.056 593 N CA 0.856 53.804 53.050 -0.170 0.000 0.907 593 N CB -0.182 38.358 38.487 0.088 0.000 0.954 593 N HN 0.569 nan 8.380 nan 0.000 0.445 594 A N -0.708 122.040 122.820 -0.120 0.000 1.887 594 A HA 0.100 4.420 4.320 0.001 0.000 0.210 594 A C 2.225 179.680 177.584 -0.215 0.000 1.221 594 A CA 0.757 52.727 52.037 -0.112 0.000 0.635 594 A CB -0.441 18.548 19.000 -0.018 0.000 0.881 594 A HN 0.174 nan 8.150 nan 0.000 0.456 595 S N -0.174 115.341 115.700 -0.308 0.000 2.368 595 S HA -0.080 4.390 4.470 0.001 0.000 0.224 595 S C 1.849 176.087 174.600 -0.604 0.000 1.029 595 S CA 1.284 59.145 58.200 -0.565 0.000 0.988 595 S CB -0.401 62.207 63.200 -0.986 0.000 0.838 595 S HN 0.518 nan 8.310 nan 0.000 0.462 596 I N 1.288 121.537 120.570 -0.535 0.000 2.493 596 I HA -0.172 3.999 4.170 0.001 0.000 0.254 596 I C 1.867 177.844 176.117 -0.234 0.000 1.160 596 I CA 1.098 62.198 61.300 -0.334 0.000 1.445 596 I CB -0.167 37.598 38.000 -0.392 0.000 1.086 596 I HN 0.246 nan 8.210 nan 0.000 0.433 597 T N 1.109 115.517 114.554 -0.243 0.000 2.857 597 T HA -0.118 4.232 4.350 0.001 0.000 0.266 597 T C 1.694 176.291 174.700 -0.171 0.000 1.048 597 T CA 1.170 63.169 62.100 -0.169 0.000 1.139 597 T CB -0.143 68.636 68.868 -0.148 0.000 0.874 597 T HN 0.260 nan 8.240 nan 0.000 0.455 598 L N 1.250 122.344 121.223 -0.216 0.000 2.027 598 L HA -0.013 4.328 4.340 0.001 0.000 0.206 598 L C 2.557 179.315 176.870 -0.188 0.000 1.074 598 L CA 1.824 56.525 54.840 -0.232 0.000 0.745 598 L CB -0.719 41.182 42.059 -0.263 0.000 0.898 598 L HN 0.205 nan 8.230 nan 0.000 0.433 599 Q N -1.236 118.467 119.800 -0.161 0.000 2.030 599 Q HA -0.261 4.080 4.340 0.001 0.000 0.204 599 Q C 2.260 178.246 176.000 -0.023 0.000 0.986 599 Q CA 1.915 57.677 55.803 -0.069 0.000 0.843 599 Q CB -0.188 28.523 28.738 -0.044 0.000 0.904 599 Q HN 0.526 nan 8.270 nan 0.000 0.420 600 Q N -0.403 119.374 119.800 -0.038 0.000 2.224 600 Q HA -0.115 4.225 4.340 0.001 0.000 0.203 600 Q C 1.898 177.889 176.000 -0.014 0.000 0.970 600 Q CA 1.027 56.825 55.803 -0.009 0.000 0.865 600 Q CB 0.156 28.886 28.738 -0.012 0.000 0.922 600 Q HN 0.458 nan 8.270 nan 0.000 0.445 601 Q N -0.349 119.417 119.800 -0.058 0.000 2.389 601 Q HA 0.066 4.407 4.340 0.001 0.000 0.204 601 Q C 1.973 177.932 176.000 -0.069 0.000 0.944 601 Q CA 0.293 56.053 55.803 -0.071 0.000 0.908 601 Q CB 0.299 28.967 28.738 -0.116 0.000 1.002 601 Q HN 0.379 nan 8.270 nan 0.000 0.493 602 L N -0.105 121.082 121.223 -0.061 0.000 2.341 602 L HA -0.085 4.255 4.340 0.001 0.000 0.214 602 L C 2.120 179.108 176.870 0.196 0.000 1.115 602 L CA 0.712 55.539 54.840 -0.022 0.000 0.820 602 L CB 0.065 42.066 42.059 -0.098 0.000 0.944 602 L HN 0.023 nan 8.230 nan 0.000 0.452 603 K N 0.114 120.609 120.400 0.159 0.000 2.166 603 K HA -0.049 4.271 4.320 0.001 0.000 0.201 603 K C 1.888 178.566 176.600 0.129 0.000 1.052 603 K CA 0.842 57.248 56.287 0.198 0.000 0.969 603 K CB 0.253 32.844 32.500 0.152 0.000 0.761 603 K HN 0.145 nan 8.250 nan 0.000 0.459 604 E N -0.274 119.968 120.200 0.070 0.000 2.112 604 E HA -0.049 4.301 4.350 0.001 0.000 0.190 604 E C 1.361 177.975 176.600 0.023 0.000 0.979 604 E CA 0.845 57.268 56.400 0.038 0.000 0.814 604 E CB 0.173 29.882 29.700 0.015 0.000 0.762 604 E HN 0.198 nan 8.360 nan 0.000 0.460 605 L N 0.378 121.611 121.223 0.017 0.000 2.529 605 L HA 0.065 4.405 4.340 0.001 0.000 0.223 605 L C 0.451 177.326 176.870 0.008 0.000 1.113 605 L CA 0.215 55.054 54.840 -0.002 0.000 0.861 605 L CB 0.562 42.601 42.059 -0.034 0.000 1.012 605 L HN -0.102 nan 8.230 nan 0.000 0.461 606 T N 1.202 115.782 114.554 0.043 0.000 2.743 606 T HA 0.536 4.886 4.350 0.001 0.000 0.293 606 T C 0.147 174.735 174.700 -0.185 0.000 0.945 606 T CA -0.397 61.682 62.100 -0.035 0.000 1.030 606 T CB 1.458 70.363 68.868 0.062 0.000 0.912 606 T HN 0.149 nan 8.240 nan 0.000 0.483 607 A N 5.566 128.246 122.820 -0.234 0.000 2.252 607 A HA 0.594 4.914 4.320 0.001 0.000 0.309 607 A C -1.574 175.762 177.584 -0.412 0.000 1.285 607 A CA -1.720 50.176 52.037 -0.236 0.000 0.900 607 A CB 0.561 19.479 19.000 -0.136 0.000 1.157 607 A HN 0.475 nan 8.150 nan 0.000 0.536 608 P HA -0.173 nan 4.420 nan 0.000 0.216 608 P C 0.775 177.943 177.300 -0.221 0.000 1.150 608 P CA 1.501 64.309 63.100 -0.485 0.000 0.837 608 P CB 0.154 31.768 31.700 -0.143 0.000 0.786 609 D N -1.530 118.788 120.400 -0.137 0.000 2.363 609 D HA -0.044 4.596 4.640 0.001 0.000 0.220 609 D C 0.474 176.726 176.300 -0.080 0.000 0.994 609 D CA 0.566 54.520 54.000 -0.076 0.000 0.890 609 D CB -0.116 40.655 40.800 -0.048 0.000 0.906 609 D HN 0.159 nan 8.370 nan 0.000 0.530 610 E N 0.692 120.820 120.200 -0.120 0.000 2.312 610 E HA 0.314 4.664 4.350 0.001 0.000 0.259 610 E C -0.268 176.282 176.600 -0.084 0.000 1.122 610 E CA -0.470 55.873 56.400 -0.095 0.000 0.922 610 E CB 0.749 30.387 29.700 -0.103 0.000 1.109 610 E HN 0.102 nan 8.360 nan 0.000 0.442 611 N N 0.001 118.669 118.700 -0.054 0.000 2.347 611 N HA 0.162 4.902 4.740 0.001 0.000 0.253 611 N C 1.009 176.496 175.510 -0.039 0.000 1.274 611 N CA -0.353 52.674 53.050 -0.039 0.000 0.941 611 N CB 0.588 39.062 38.487 -0.022 0.000 1.200 611 N HN 0.380 nan 8.380 nan 0.000 0.514 612 I N 0.784 121.338 120.570 -0.026 0.000 2.226 612 I HA -0.138 4.032 4.170 0.001 0.000 0.245 612 I C -1.027 175.097 176.117 0.012 0.000 1.100 612 I CA 1.042 62.332 61.300 -0.017 0.000 1.374 612 I CB -0.785 37.204 38.000 -0.018 0.000 1.057 612 I HN 0.495 nan 8.210 nan 0.000 0.413 613 P HA -0.063 nan 4.420 nan 0.000 0.221 613 P C 1.273 178.591 177.300 0.031 0.000 1.150 613 P CA 1.141 64.255 63.100 0.023 0.000 0.800 613 P CB 0.077 31.786 31.700 0.014 0.000 0.787 614 A N -0.442 122.388 122.820 0.017 0.000 2.067 614 A HA -0.084 4.237 4.320 0.001 0.000 0.217 614 A C 2.012 179.619 177.584 0.037 0.000 1.156 614 A CA 1.167 53.213 52.037 0.014 0.000 0.683 614 A CB -0.690 18.304 19.000 -0.010 0.000 0.808 614 A HN 0.107 nan 8.150 nan 0.000 0.455 615 K N -0.458 119.980 120.400 0.063 0.000 2.228 615 K HA 0.156 4.476 4.320 0.001 0.000 0.202 615 K C 1.413 178.208 176.600 0.326 0.000 1.051 615 K CA 0.807 57.197 56.287 0.171 0.000 0.960 615 K CB -0.137 32.423 32.500 0.100 0.000 0.743 615 K HN 0.511 nan 8.250 nan 0.000 0.458 616 I N 1.281 121.982 120.570 0.218 0.000 2.546 616 I HA -0.208 3.963 4.170 0.001 0.000 0.255 616 I C 2.140 178.336 176.117 0.131 0.000 1.163 616 I CA 0.543 61.954 61.300 0.185 0.000 1.457 616 I CB -0.065 37.996 38.000 0.102 0.000 1.092 616 I HN 0.197 nan 8.210 nan 0.000 0.434 617 L N 0.093 121.367 121.223 0.086 0.000 2.109 617 L HA -0.107 4.234 4.340 0.001 0.000 0.207 617 L C 2.326 179.208 176.870 0.019 0.000 1.086 617 L CA 1.774 56.638 54.840 0.040 0.000 0.760 617 L CB -0.361 41.714 42.059 0.027 0.000 0.910 617 L HN 0.167 nan 8.230 nan 0.000 0.437 618 S N -0.952 114.774 115.700 0.044 0.000 2.428 618 S HA -0.169 4.301 4.470 0.001 0.000 0.230 618 S C 1.659 176.219 174.600 -0.067 0.000 1.014 618 S CA 0.818 59.024 58.200 0.010 0.000 0.957 618 S CB -0.332 62.903 63.200 0.057 0.000 0.784 618 S HN 0.612 nan 8.310 nan 0.000 0.499 619 Y N 2.993 123.170 120.300 -0.205 0.000 2.184 619 Y HA -0.042 4.508 4.550 0.001 0.000 0.290 619 Y C 1.728 177.459 175.900 -0.282 0.000 1.129 619 Y CA 1.421 59.256 58.100 -0.442 0.000 1.144 619 Y CB -0.486 37.617 38.460 -0.596 0.000 0.995 619 Y HN 0.153 nan 8.280 nan 0.000 0.513 620 N N 0.037 118.645 118.700 -0.153 0.000 2.453 620 N HA -0.072 4.668 4.740 0.001 0.000 0.183 620 N C 1.634 177.031 175.510 -0.189 0.000 1.041 620 N CA 0.901 53.850 53.050 -0.169 0.000 0.900 620 N CB -0.160 38.308 38.487 -0.031 0.000 0.961 620 N HN 0.362 nan 8.380 nan 0.000 0.443 621 R N -0.192 120.205 120.500 -0.171 0.000 2.119 621 R HA 0.169 4.509 4.340 0.001 0.000 0.222 621 R C 1.925 178.113 176.300 -0.186 0.000 1.088 621 R CA 1.000 57.016 56.100 -0.139 0.000 0.984 621 R CB -0.068 30.175 30.300 -0.095 0.000 0.884 621 R HN 0.169 nan 8.270 nan 0.000 0.447 622 A N 0.912 123.565 122.820 -0.278 0.000 1.929 622 A HA -0.143 4.177 4.320 0.001 0.000 0.216 622 A C 1.760 179.139 177.584 -0.343 0.000 1.176 622 A CA 1.369 53.220 52.037 -0.310 0.000 0.628 622 A CB -0.469 18.291 19.000 -0.399 0.000 0.816 622 A HN 0.298 nan 8.150 nan 0.000 0.444 623 N N -1.188 117.236 118.700 -0.459 0.000 2.512 623 N HA -0.070 4.671 4.740 0.001 0.000 0.183 623 N C 1.758 177.143 175.510 -0.208 0.000 1.073 623 N CA 0.668 53.487 53.050 -0.386 0.000 0.911 623 N CB -0.095 38.088 38.487 -0.507 0.000 0.964 623 N HN 0.493 nan 8.380 nan 0.000 0.447 624 R N -0.428 119.963 120.500 -0.182 0.000 2.100 624 R HA 0.169 4.509 4.340 0.001 0.000 0.220 624 R C 1.884 178.124 176.300 -0.099 0.000 1.091 624 R CA 0.944 56.975 56.100 -0.114 0.000 0.986 624 R CB -0.083 30.156 30.300 -0.100 0.000 0.888 624 R HN 0.184 nan 8.270 nan 0.000 0.444 625 A N 0.101 122.850 122.820 -0.118 0.000 2.067 625 A HA -0.056 4.264 4.320 0.001 0.000 0.219 625 A C 1.939 179.465 177.584 -0.098 0.000 1.158 625 A CA 1.191 53.168 52.037 -0.100 0.000 0.661 625 A CB -0.100 18.836 19.000 -0.106 0.000 0.801 625 A HN 0.206 nan 8.150 nan 0.000 0.452 626 V N -1.013 118.836 119.914 -0.109 0.000 2.788 626 V HA -0.021 4.099 4.120 0.001 0.000 0.251 626 V C 2.703 178.744 176.094 -0.087 0.000 1.068 626 V CA 1.393 63.635 62.300 -0.096 0.000 1.090 626 V CB -0.592 31.173 31.823 -0.096 0.000 0.710 626 V HN 0.546 nan 8.190 nan 0.000 0.467 627 A N -0.339 122.443 122.820 -0.063 0.000 2.123 627 A HA 0.239 4.559 4.320 0.001 0.000 0.214 627 A C 1.421 178.953 177.584 -0.087 0.000 1.152 627 A CA 0.513 52.521 52.037 -0.049 0.000 0.728 627 A CB -0.227 18.790 19.000 0.029 0.000 0.814 627 A HN 0.496 nan 8.150 nan 0.000 0.464 628 I N 0.160 120.684 120.570 -0.077 0.000 2.541 628 I HA 0.331 4.501 4.170 0.001 0.000 0.295 628 I C 0.504 176.581 176.117 -0.068 0.000 1.137 628 I CA 0.251 61.510 61.300 -0.069 0.000 1.256 628 I CB 0.187 38.152 38.000 -0.058 0.000 1.648 628 I HN 0.321 nan 8.210 nan 0.000 0.570 629 L N -0.116 121.059 121.223 -0.081 0.000 1.381 629 L HA 0.006 4.346 4.340 0.001 0.000 0.129 629 L C 1.346 178.169 176.870 -0.079 0.000 1.359 629 L CA 0.367 55.172 54.840 -0.058 0.000 1.203 629 L CB 0.199 42.220 42.059 -0.063 0.000 2.498 629 L HN 0.273 nan 8.230 nan 0.000 0.478 630 C N 1.248 120.427 119.300 -0.203 0.000 2.576 630 C HA 0.178 4.638 4.460 0.001 0.000 0.267 630 C C 1.202 175.964 174.990 -0.379 0.000 1.364 630 C CA 0.268 59.079 59.018 -0.345 0.000 1.723 630 C CB -1.468 25.908 27.740 -0.605 0.000 1.778 630 C HN 0.693 nan 8.230 nan 0.000 0.572 631 N N 1.197 119.768 118.700 -0.215 0.000 2.708 631 N HA -0.184 4.556 4.740 0.001 0.000 0.255 631 N C -0.852 174.656 175.510 -0.004 0.000 1.046 631 N CA 0.290 53.303 53.050 -0.063 0.000 0.715 631 N CB -1.185 37.361 38.487 0.098 0.000 0.895 631 N HN 0.743 nan 8.380 nan 0.000 0.545 632 H N 0.912 119.989 119.070 0.012 0.000 2.519 632 H HA 0.307 4.863 4.556 0.001 0.000 0.316 632 H C 0.175 175.498 175.328 -0.009 0.000 1.065 632 H CA -0.519 55.532 56.048 0.005 0.000 1.264 632 H CB 1.050 30.815 29.762 0.004 0.000 1.413 632 H HN 0.390 nan 8.280 nan 0.000 0.465 633 Q N 0.786 120.650 119.800 0.107 0.000 2.484 633 Q HA 0.726 5.067 4.340 0.001 0.000 0.285 633 Q C -0.738 175.272 176.000 0.015 0.000 1.097 633 Q CA -1.395 54.432 55.803 0.041 0.000 0.802 633 Q CB 2.242 30.992 28.738 0.021 0.000 1.444 633 Q HN 0.814 nan 8.270 nan 0.000 0.429 634 R N -1.188 119.308 120.500 -0.006 0.000 1.507 634 R HA 0.220 4.561 4.340 0.001 0.000 0.404 634 R C -1.052 175.227 176.300 -0.035 0.000 1.291 634 R CA 0.501 56.589 56.100 -0.020 0.000 1.082 634 R CB -2.474 27.822 30.300 -0.007 0.000 3.235 634 R HN 1.653 nan 8.270 nan 0.000 0.491 635 A N 5.010 127.789 122.820 -0.068 0.000 2.310 635 A HA 0.819 5.140 4.320 0.001 0.000 0.304 635 A C -1.580 175.946 177.584 -0.096 0.000 1.231 635 A CA -1.216 50.769 52.037 -0.087 0.000 0.799 635 A CB 1.148 20.071 19.000 -0.128 0.000 1.162 635 A HN 1.151 nan 8.150 nan 0.000 0.486 636 P HA -0.170 nan 4.420 nan 0.000 0.021 636 P C -1.894 175.431 177.300 0.041 0.000 0.493 636 P CA 0.548 63.646 63.100 -0.002 0.000 1.034 636 P CB -0.282 31.420 31.700 0.004 0.000 1.880 637 P HA -0.092 nan 4.420 nan 0.000 0.245 637 P C 0.912 178.306 177.300 0.157 0.000 1.212 637 P CA 0.837 64.031 63.100 0.157 0.000 0.774 637 P CB 0.270 32.036 31.700 0.110 0.000 0.999 638 K N -0.995 119.466 120.400 0.102 0.000 2.166 638 K HA 0.015 4.336 4.320 0.001 0.000 0.201 638 K C 2.025 178.667 176.600 0.070 0.000 1.052 638 K CA 1.103 57.432 56.287 0.069 0.000 0.969 638 K CB -1.091 31.433 32.500 0.041 0.000 0.761 638 K HN -0.135 nan 8.250 nan 0.000 0.459 639 T N 0.032 114.642 114.554 0.093 0.000 3.067 639 T HA 0.035 4.385 4.350 0.001 0.000 0.257 639 T C -0.196 174.579 174.700 0.125 0.000 1.105 639 T CA -0.350 61.801 62.100 0.084 0.000 1.104 639 T CB -0.232 68.680 68.868 0.074 0.000 0.925 639 T HN 0.281 nan 8.240 nan 0.000 0.498 640 F N 1.994 121.943 119.950 -0.002 0.000 2.619 640 F HA 0.452 4.980 4.527 0.000 0.000 0.350 640 F C 0.893 176.691 175.800 -0.003 0.000 1.259 640 F CA -0.088 57.911 58.000 -0.002 0.000 1.204 640 F CB 0.130 39.130 39.000 -0.001 0.000 1.556 640 F HN 0.117 nan 8.300 nan 0.000 0.650 641 E N 1.559 121.609 120.200 -0.250 0.000 1.872 641 E HA 0.004 4.354 4.350 0.001 0.000 0.230 641 E C 0.988 177.482 176.600 -0.178 0.000 1.070 641 E CA 0.407 56.660 56.400 -0.245 0.000 1.469 641 E CB -0.034 29.601 29.700 -0.108 0.000 4.011 641 E HN 0.432 nan 8.360 nan 0.000 0.938 642 K N 0.185 120.524 120.400 -0.102 0.000 2.168 642 K HA 0.122 4.442 4.320 0.001 0.000 0.201 642 K C 1.942 178.508 176.600 -0.056 0.000 1.049 642 K CA 1.174 57.422 56.287 -0.065 0.000 0.974 642 K CB 0.118 32.599 32.500 -0.031 0.000 0.792 642 K HN 0.134 nan 8.250 nan 0.000 0.463 643 S N 0.931 116.611 115.700 -0.034 0.000 2.423 643 S HA -0.121 4.349 4.470 0.001 0.000 0.231 643 S C 2.017 176.611 174.600 -0.010 0.000 1.014 643 S CA 0.889 59.091 58.200 0.005 0.000 0.965 643 S CB -0.094 63.145 63.200 0.065 0.000 0.785 643 S HN 0.106 nan 8.310 nan 0.000 0.495 644 M N 1.356 120.894 119.600 -0.103 0.000 2.287 644 M HA 0.379 4.859 4.480 0.001 0.000 0.266 644 M C 1.958 178.197 176.300 -0.103 0.000 1.079 644 M CA 1.399 56.618 55.300 -0.135 0.000 1.146 644 M CB -0.677 31.652 32.600 -0.452 0.000 1.374 644 M HN 0.259 nan 8.290 nan 0.000 0.435 645 M N -0.875 118.656 119.600 -0.116 0.000 2.562 645 M HA -0.021 4.459 4.480 0.001 0.000 0.257 645 M C 0.901 177.174 176.300 -0.045 0.000 1.099 645 M CA 0.791 56.043 55.300 -0.079 0.000 1.099 645 M CB -0.348 32.202 32.600 -0.083 0.000 1.427 645 M HN 0.248 nan 8.290 nan 0.000 0.489 646 N N -0.153 118.526 118.700 -0.035 0.000 2.236 646 N HA 0.171 4.911 4.740 0.001 0.000 0.196 646 N C 1.090 176.597 175.510 -0.005 0.000 1.114 646 N CA 0.155 53.195 53.050 -0.017 0.000 0.859 646 N CB 0.488 38.968 38.487 -0.012 0.000 0.982 646 N HN 0.261 nan 8.380 nan 0.000 0.493 647 L N -0.482 120.739 121.223 -0.003 0.000 2.463 647 L HA 0.201 4.542 4.340 0.001 0.000 0.219 647 L C 1.894 178.768 176.870 0.006 0.000 1.088 647 L CA 0.367 55.215 54.840 0.012 0.000 0.849 647 L CB 0.116 42.194 42.059 0.031 0.000 1.012 647 L HN 0.158 nan 8.230 nan 0.000 0.468 648 Q N -0.349 119.448 119.800 -0.005 0.000 2.245 648 Q HA -0.121 4.220 4.340 0.001 0.000 0.201 648 Q C 1.847 177.843 176.000 -0.007 0.000 0.955 648 Q CA 1.809 57.608 55.803 -0.008 0.000 0.870 648 Q CB 0.164 28.891 28.738 -0.020 0.000 0.945 648 Q HN 0.573 nan 8.270 nan 0.000 0.461 649 T N -3.026 111.523 114.554 -0.008 0.000 3.148 649 T HA 0.108 4.459 4.350 0.001 0.000 0.253 649 T C 1.301 175.999 174.700 -0.002 0.000 1.134 649 T CA 0.327 62.423 62.100 -0.006 0.000 1.051 649 T CB 0.126 68.989 68.868 -0.009 0.000 0.959 649 T HN 0.127 nan 8.240 nan 0.000 0.525 650 K N 0.042 120.442 120.400 0.001 0.000 2.354 650 K HA 0.424 4.744 4.320 0.001 0.000 0.194 650 K C 1.501 178.104 176.600 0.005 0.000 1.038 650 K CA 0.016 56.305 56.287 0.004 0.000 1.052 650 K CB 0.267 32.771 32.500 0.007 0.000 0.861 650 K HN 0.350 nan 8.250 nan 0.000 0.535 651 I N 0.668 121.241 120.570 0.004 0.000 2.585 651 I HA -0.111 4.059 4.170 0.001 0.000 0.254 651 I C 0.878 176.996 176.117 0.002 0.000 1.129 651 I CA 1.085 62.387 61.300 0.005 0.000 1.455 651 I CB 0.095 38.098 38.000 0.005 0.000 1.111 651 I HN 0.021 nan 8.210 nan 0.000 0.433 652 D N 1.256 121.656 120.400 -0.000 0.000 2.277 652 D HA -0.035 4.605 4.640 0.001 0.000 0.208 652 D C 2.098 178.397 176.300 -0.001 0.000 0.962 652 D CA 0.840 54.840 54.000 -0.001 0.000 0.865 652 D CB 0.098 40.896 40.800 -0.003 0.000 0.939 652 D HN 0.282 nan 8.370 nan 0.000 0.510 653 A N 0.053 122.874 122.820 0.000 0.000 2.119 653 A HA -0.030 4.291 4.320 0.001 0.000 0.216 653 A C 1.798 179.383 177.584 0.001 0.000 1.152 653 A CA 0.814 52.851 52.037 0.001 0.000 0.708 653 A CB 0.143 19.144 19.000 0.001 0.000 0.805 653 A HN -0.058 nan 8.150 nan 0.000 0.460 654 K N -0.543 119.858 120.400 0.002 0.000 2.355 654 K HA 0.173 4.493 4.320 0.001 0.000 0.198 654 K C 1.181 177.782 176.600 0.001 0.000 1.039 654 K CA 0.195 56.483 56.287 0.002 0.000 1.075 654 K CB 0.333 32.835 32.500 0.004 0.000 0.870 654 K HN 0.395 nan 8.250 nan 0.000 0.540 655 K N 1.169 121.570 120.400 0.001 0.000 2.228 655 K HA -0.041 4.280 4.320 0.001 0.000 0.202 655 K C 1.513 178.113 176.600 -0.000 0.000 1.051 655 K CA 0.911 57.198 56.287 0.000 0.000 0.960 655 K CB 0.274 32.774 32.500 -0.001 0.000 0.743 655 K HN 0.156 nan 8.250 nan 0.000 0.458 656 E N 0.579 120.778 120.200 -0.000 0.000 2.107 656 E HA -0.165 4.185 4.350 0.001 0.000 0.191 656 E C 1.918 178.518 176.600 -0.000 0.000 0.982 656 E CA 0.863 57.263 56.400 -0.001 0.000 0.809 656 E CB 0.145 29.844 29.700 -0.001 0.000 0.756 656 E HN 0.300 nan 8.360 nan 0.000 0.459 657 Q N 0.268 120.069 119.800 0.000 0.000 2.172 657 Q HA -0.118 4.222 4.340 0.001 0.000 0.200 657 Q C 2.216 178.216 176.000 0.000 0.000 0.964 657 Q CA 0.704 56.508 55.803 0.000 0.000 0.855 657 Q CB 0.001 28.740 28.738 0.001 0.000 0.918 657 Q HN 0.191 nan 8.270 nan 0.000 0.444 658 L N 0.245 121.468 121.223 0.000 0.000 2.131 658 L HA 0.030 4.370 4.340 0.001 0.000 0.206 658 L C 2.101 178.971 176.870 -0.001 0.000 1.087 658 L CA 1.617 56.457 54.840 -0.000 0.000 0.767 658 L CB -0.449 41.610 42.059 -0.000 0.000 0.917 658 L HN 0.069 nan 8.230 nan 0.000 0.441 659 A N -1.189 121.631 122.820 -0.001 0.000 1.969 659 A HA -0.168 4.152 4.320 0.001 0.000 0.218 659 A C 2.016 179.599 177.584 -0.001 0.000 1.169 659 A CA 1.680 53.717 52.037 -0.001 0.000 0.635 659 A CB -0.647 18.352 19.000 -0.001 0.000 0.810 659 A HN 0.539 nan 8.150 nan 0.000 0.445 660 D N -0.401 119.999 120.400 -0.001 0.000 2.317 660 D HA 0.099 4.739 4.640 0.001 0.000 0.211 660 D C 1.972 178.272 176.300 -0.000 0.000 0.966 660 D CA 0.987 54.987 54.000 -0.000 0.000 0.876 660 D CB 0.162 40.962 40.800 -0.000 0.000 0.927 660 D HN 0.463 nan 8.370 nan 0.000 0.519 661 A N 0.699 123.519 122.820 -0.000 0.000 1.943 661 A HA -0.012 4.308 4.320 0.001 0.000 0.213 661 A C 2.104 179.688 177.584 -0.001 0.000 1.181 661 A CA 0.341 52.378 52.037 -0.000 0.000 0.653 661 A CB -0.063 18.937 19.000 -0.000 0.000 0.833 661 A HN 0.019 nan 8.150 nan 0.000 0.451 662 R N -1.041 119.458 120.500 -0.001 0.000 2.235 662 R HA 0.031 4.371 4.340 0.001 0.000 0.213 662 R C 2.174 178.474 176.300 -0.001 0.000 1.059 662 R CA 0.977 57.077 56.100 -0.001 0.000 0.997 662 R CB -0.087 30.213 30.300 -0.001 0.000 0.884 662 R HN 0.369 nan 8.270 nan 0.000 0.462 663 R N 0.278 120.778 120.500 -0.001 0.000 2.100 663 R HA -0.023 4.317 4.340 0.001 0.000 0.220 663 R C 1.381 177.681 176.300 -0.001 0.000 1.091 663 R CA 1.086 57.185 56.100 -0.001 0.000 0.986 663 R CB 0.176 30.475 30.300 -0.001 0.000 0.888 663 R HN 0.081 nan 8.270 nan 0.000 0.444 664 D N -0.290 120.109 120.400 -0.001 0.000 2.277 664 D HA -0.092 4.548 4.640 0.001 0.000 0.208 664 D C 1.424 177.724 176.300 -0.000 0.000 0.962 664 D CA 0.630 54.630 54.000 -0.000 0.000 0.865 664 D CB 0.320 41.120 40.800 -0.000 0.000 0.939 664 D HN 0.114 nan 8.370 nan 0.000 0.510 665 L N 0.835 122.058 121.223 -0.001 0.000 2.307 665 L HA 0.055 4.395 4.340 0.001 0.000 0.211 665 L C 1.872 178.742 176.870 -0.001 0.000 1.099 665 L CA 1.290 56.130 54.840 -0.001 0.000 0.816 665 L CB -0.153 41.906 42.059 -0.001 0.000 0.952 665 L HN -0.249 nan 8.230 nan 0.000 0.455 666 K N -1.506 118.894 120.400 -0.001 0.000 2.296 666 K HA -0.071 4.249 4.320 0.001 0.000 0.200 666 K C 2.119 178.719 176.600 -0.001 0.000 1.048 666 K CA 0.991 57.278 56.287 -0.001 0.000 0.966 666 K CB 0.130 32.630 32.500 -0.001 0.000 0.754 666 K HN 0.339 nan 8.250 nan 0.000 0.466 667 S N -0.139 115.561 115.700 -0.001 0.000 2.395 667 S HA 0.014 4.484 4.470 0.001 0.000 0.225 667 S C 1.822 176.422 174.600 -0.000 0.000 1.027 667 S CA 0.911 59.110 58.200 -0.001 0.000 0.965 667 S CB -0.015 63.184 63.200 -0.000 0.000 0.812 667 S HN 0.429 nan 8.310 nan 0.000 0.482 668 A N 0.879 123.698 122.820 -0.000 0.000 2.016 668 A HA 0.121 4.441 4.320 0.001 0.000 0.217 668 A C 2.031 179.615 177.584 -0.000 0.000 1.162 668 A CA 0.964 53.001 52.037 -0.000 0.000 0.662 668 A CB -0.293 18.707 19.000 -0.000 0.000 0.812 668 A HN 0.530 nan 8.150 nan 0.000 0.450 669 K N -0.541 119.858 120.400 -0.001 0.000 2.366 669 K HA 0.148 4.468 4.320 0.001 0.000 0.198 669 K C 1.767 178.367 176.600 -0.001 0.000 1.044 669 K CA 0.752 57.039 56.287 -0.001 0.000 0.973 669 K CB -0.027 32.472 32.500 -0.001 0.000 0.767 669 K HN 0.424 nan 8.250 nan 0.000 0.475 670 A N 0.312 123.132 122.820 -0.001 0.000 2.169 670 A HA -0.017 4.303 4.320 0.001 0.000 0.210 670 A C 1.262 178.845 177.584 -0.000 0.000 1.168 670 A CA 0.753 52.789 52.037 -0.001 0.000 0.813 670 A CB 0.180 19.180 19.000 -0.001 0.000 0.861 670 A HN 0.134 nan 8.150 nan 0.000 0.481 671 D N -1.082 119.318 120.400 -0.000 0.000 2.379 671 D HA 0.317 4.958 4.640 0.001 0.000 0.208 671 D C 1.628 177.928 176.300 -0.000 0.000 1.065 671 D CA 0.756 54.756 54.000 -0.000 0.000 0.848 671 D CB 0.192 40.992 40.800 -0.000 0.000 0.949 671 D HN 0.285 nan 8.370 nan 0.000 0.509 672 A N 0.048 122.868 122.820 -0.000 0.000 2.169 672 A HA -0.001 4.319 4.320 0.001 0.000 0.212 672 A C 1.843 179.427 177.584 -0.000 0.000 1.153 672 A CA 0.592 52.629 52.037 -0.000 0.000 0.756 672 A CB -0.037 18.963 19.000 -0.000 0.000 0.813 672 A HN -0.014 nan 8.150 nan 0.000 0.471 673 K N -0.243 120.156 120.400 -0.000 0.000 2.141 673 K HA 0.031 4.351 4.320 0.001 0.000 0.202 673 K C 1.882 178.482 176.600 -0.000 0.000 1.045 673 K CA 1.526 57.813 56.287 -0.000 0.000 0.971 673 K CB -1.078 31.422 32.500 -0.000 0.000 0.795 673 K HN 0.476 nan 8.250 nan 0.000 0.459 674 V N -1.563 118.351 119.914 -0.000 0.000 2.951 674 V HA 0.155 4.276 4.120 0.001 0.000 0.255 674 V C 1.599 177.693 176.094 -0.000 0.000 1.088 674 V CA 0.935 63.235 62.300 -0.000 0.000 1.109 674 V CB -0.373 31.450 31.823 -0.000 0.000 0.724 674 V HN 0.124 nan 8.190 nan 0.000 0.471 675 M N 1.633 121.232 119.600 -0.000 0.000 2.876 675 M HA 0.333 4.813 4.480 0.001 0.000 0.367 675 M C -0.050 176.250 176.300 -0.000 0.000 1.242 675 M CA -0.328 54.972 55.300 -0.000 0.000 0.889 675 M CB -0.053 32.547 32.600 -0.000 0.000 1.353 675 M HN 0.614 nan 8.290 nan 0.000 0.511 676 K N -0.405 119.994 120.400 -0.000 0.000 2.682 676 K HA -0.162 4.158 4.320 0.001 0.000 0.590 676 K C -1.623 174.977 176.600 -0.000 0.000 2.569 676 K CA 0.965 57.252 56.287 -0.000 0.000 1.990 676 K CB -0.881 31.619 32.500 -0.000 0.000 2.662 676 K HN 0.316 nan 8.250 nan 0.000 0.269 677 D N 0.618 121.018 120.400 -0.000 0.000 2.447 677 D HA 0.400 5.040 4.640 0.001 0.000 0.265 677 D C 1.439 177.739 176.300 -0.000 0.000 1.250 677 D CA 0.745 54.745 54.000 -0.000 0.000 1.046 677 D CB 0.916 41.716 40.800 -0.000 0.000 1.095 677 D HN 0.839 nan 8.370 nan 0.000 0.555 678 A N 0.266 123.086 122.820 -0.000 0.000 1.344 678 A HA -0.296 4.024 4.320 0.001 0.000 0.222 678 A C 0.858 178.442 177.584 -0.000 0.000 0.364 678 A CA 2.007 54.044 52.037 -0.000 0.000 1.096 678 A CB -1.389 17.611 19.000 -0.000 0.000 1.468 678 A HN 0.567 nan 8.150 nan 0.000 0.722 679 K N 0.894 121.294 120.400 -0.000 0.000 2.276 679 K HA 0.438 4.758 4.320 0.001 0.000 0.285 679 K C -0.044 176.556 176.600 -0.000 0.000 1.062 679 K CA 0.706 56.993 56.287 -0.000 0.000 0.918 679 K CB 0.082 32.582 32.500 -0.000 0.000 1.055 679 K HN 1.013 nan 8.250 nan 0.000 0.477 680 T N 2.244 116.798 114.554 -0.000 0.000 4.385 680 T HA -0.118 4.233 4.350 0.001 0.000 0.330 680 T C 0.334 175.034 174.700 -0.000 0.000 0.771 680 T CA 1.271 63.371 62.100 -0.000 0.000 1.973 680 T CB -1.151 67.717 68.868 -0.000 0.000 1.908 680 T HN 0.845 nan 8.240 nan 0.000 0.933 681 K N -0.430 119.970 120.400 -0.000 0.000 2.491 681 K HA 0.265 4.585 4.320 0.001 0.000 0.211 681 K C 1.696 178.296 176.600 -0.000 0.000 1.210 681 K CA -0.240 56.047 56.287 -0.000 0.000 1.003 681 K CB 0.199 32.699 32.500 -0.000 0.000 1.009 681 K HN 0.002 nan 8.250 nan 0.000 0.577 682 K N 0.566 120.966 120.400 -0.000 0.000 2.486 682 K HA 0.048 4.368 4.320 0.001 0.000 0.194 682 K C 1.339 177.939 176.600 -0.000 0.000 1.033 682 K CA 0.482 56.769 56.287 -0.000 0.000 1.004 682 K CB 0.354 32.854 32.500 -0.000 0.000 0.798 682 K HN -0.042 nan 8.250 nan 0.000 0.495 683 V N -0.588 119.326 119.914 -0.000 0.000 2.788 683 V HA -0.098 4.023 4.120 0.001 0.000 0.251 683 V C 1.724 177.818 176.094 -0.000 0.000 1.068 683 V CA 0.951 63.251 62.300 -0.000 0.000 1.090 683 V CB 0.011 31.834 31.823 -0.000 0.000 0.710 683 V HN -0.019 nan 8.190 nan 0.000 0.467 684 V N 0.031 119.945 119.914 -0.000 0.000 3.041 684 V HA -0.115 4.006 4.120 0.001 0.000 0.260 684 V C 2.237 178.331 176.094 -0.000 0.000 1.105 684 V CA 1.585 63.885 62.300 -0.000 0.000 1.125 684 V CB -0.384 31.439 31.823 -0.000 0.000 0.730 684 V HN 0.624 nan 8.190 nan 0.000 0.479 685 E N 1.323 121.522 120.200 -0.000 0.000 2.042 685 E HA -0.148 4.203 4.350 0.001 0.000 0.189 685 E C 2.364 178.964 176.600 -0.000 0.000 0.974 685 E CA 1.278 57.678 56.400 -0.000 0.000 0.806 685 E CB -0.006 29.694 29.700 -0.000 0.000 0.769 685 E HN 0.684 nan 8.360 nan 0.000 0.451 686 S N 0.134 115.834 115.700 -0.000 0.000 2.453 686 S HA -0.012 4.458 4.470 0.001 0.000 0.231 686 S C 1.610 176.210 174.600 -0.000 0.000 1.005 686 S CA 0.562 58.762 58.200 -0.000 0.000 0.949 686 S CB -0.041 63.159 63.200 0.000 0.000 0.774 686 S HN 0.099 nan 8.310 nan 0.000 0.510 687 K N 0.408 120.807 120.400 -0.000 0.000 2.387 687 K HA 0.275 4.595 4.320 0.001 0.000 0.198 687 K C 1.580 178.180 176.600 -0.001 0.000 1.022 687 K CA 0.027 56.314 56.287 -0.000 0.000 1.128 687 K CB 0.163 32.663 32.500 -0.000 0.000 0.853 687 K HN 0.299 nan 8.250 nan 0.000 0.523 688 K N 0.534 120.933 120.400 -0.001 0.000 2.367 688 K HA 0.096 4.416 4.320 0.001 0.000 0.195 688 K C 1.214 177.814 176.600 -0.001 0.000 1.060 688 K CA 0.365 56.652 56.287 -0.001 0.000 1.022 688 K CB 0.539 33.038 32.500 -0.001 0.000 0.894 688 K HN -0.108 nan 8.250 nan 0.000 0.540 689 K N -0.557 119.842 120.400 -0.001 0.000 2.356 689 K HA 0.156 4.477 4.320 0.001 0.000 0.195 689 K C 1.616 178.215 176.600 -0.001 0.000 1.037 689 K CA 0.555 56.842 56.287 -0.001 0.000 1.014 689 K CB 0.618 33.117 32.500 -0.001 0.000 0.815 689 K HN 0.041 nan 8.250 nan 0.000 0.507 690 A N 0.866 123.686 122.820 -0.000 0.000 1.975 690 A HA -0.022 4.298 4.320 0.001 0.000 0.215 690 A C 2.167 179.751 177.584 -0.000 0.000 1.170 690 A CA 0.742 52.779 52.037 -0.000 0.000 0.656 690 A CB -0.187 18.813 19.000 0.000 0.000 0.821 690 A HN 0.019 nan 8.150 nan 0.000 0.449 691 V N -0.122 119.792 119.914 -0.001 0.000 2.453 691 V HA -0.187 3.934 4.120 0.001 0.000 0.247 691 V C 2.603 178.697 176.094 -0.001 0.000 1.048 691 V CA 1.698 63.998 62.300 -0.001 0.000 1.049 691 V CB -0.616 31.206 31.823 -0.001 0.000 0.672 691 V HN 0.491 nan 8.190 nan 0.000 0.457 692 Q N -0.207 119.592 119.800 -0.002 0.000 2.167 692 Q HA -0.092 4.248 4.340 0.001 0.000 0.202 692 Q C 2.423 178.422 176.000 -0.002 0.000 0.970 692 Q CA 1.046 56.848 55.803 -0.002 0.000 0.855 692 Q CB -0.314 28.422 28.738 -0.002 0.000 0.911 692 Q HN 0.468 nan 8.270 nan 0.000 0.438 693 R N 0.186 120.686 120.500 -0.001 0.000 2.148 693 R HA 0.045 4.386 4.340 0.001 0.000 0.223 693 R C 2.123 178.423 176.300 0.000 0.000 1.088 693 R CA 0.543 56.642 56.100 -0.000 0.000 0.985 693 R CB -0.157 30.143 30.300 0.000 0.000 0.880 693 R HN 0.270 nan 8.270 nan 0.000 0.451 694 L N -0.238 120.985 121.223 -0.000 0.000 2.477 694 L HA 0.042 4.382 4.340 0.001 0.000 0.220 694 L C 2.004 178.874 176.870 -0.000 0.000 1.106 694 L CA 0.409 55.249 54.840 0.000 0.000 0.851 694 L CB -0.005 42.054 42.059 0.000 0.000 0.994 694 L HN 0.112 nan 8.230 nan 0.000 0.462 695 E N 0.379 120.579 120.200 -0.001 0.000 2.028 695 E HA -0.201 4.149 4.350 0.001 0.000 0.191 695 E C 1.771 178.369 176.600 -0.002 0.000 0.988 695 E CA 1.374 57.773 56.400 -0.002 0.000 0.799 695 E CB 0.119 29.818 29.700 -0.003 0.000 0.755 695 E HN 0.486 nan 8.360 nan 0.000 0.447 696 E N 0.658 120.857 120.200 -0.002 0.000 2.427 696 E HA -0.191 4.160 4.350 0.001 0.000 0.196 696 E C 1.810 178.410 176.600 0.000 0.000 1.028 696 E CA 0.521 56.920 56.400 -0.002 0.000 0.864 696 E CB -0.052 29.645 29.700 -0.004 0.000 0.813 696 E HN 0.291 nan 8.360 nan 0.000 0.514 697 Q N 0.475 120.275 119.800 0.001 0.000 2.269 697 Q HA -0.040 4.300 4.340 0.001 0.000 0.201 697 Q C 2.022 178.025 176.000 0.004 0.000 0.946 697 Q CA 0.335 56.139 55.803 0.003 0.000 0.877 697 Q CB 0.185 28.924 28.738 0.003 0.000 0.963 697 Q HN 0.274 nan 8.270 nan 0.000 0.472 698 L N -0.106 121.119 121.223 0.003 0.000 2.162 698 L HA 0.091 4.432 4.340 0.001 0.000 0.205 698 L C 1.676 178.548 176.870 0.004 0.000 1.086 698 L CA 1.266 56.109 54.840 0.004 0.000 0.778 698 L CB 0.036 42.096 42.059 0.002 0.000 0.928 698 L HN 0.187 nan 8.230 nan 0.000 0.446 699 M N -0.708 118.893 119.600 0.002 0.000 2.696 699 M HA -0.054 4.427 4.480 0.001 0.000 0.220 699 M C 1.517 177.819 176.300 0.004 0.000 1.133 699 M CA 0.697 55.998 55.300 0.002 0.000 1.016 699 M CB -0.092 32.507 32.600 -0.002 0.000 1.740 699 M HN 0.246 nan 8.290 nan 0.000 0.502 700 K N 0.650 121.054 120.400 0.007 0.000 2.325 700 K HA 0.145 4.465 4.320 0.001 0.000 0.203 700 K C 1.594 178.202 176.600 0.014 0.000 1.128 700 K CA 0.146 56.439 56.287 0.010 0.000 0.931 700 K CB 0.410 32.916 32.500 0.009 0.000 1.125 700 K HN 0.218 nan 8.250 nan 0.000 0.487 701 L N 1.440 122.671 121.223 0.013 0.000 2.056 701 L HA -0.055 4.285 4.340 0.001 0.000 0.207 701 L C 2.461 179.341 176.870 0.017 0.000 1.078 701 L CA 1.187 56.036 54.840 0.015 0.000 0.749 701 L CB -0.167 41.900 42.059 0.013 0.000 0.901 701 L HN 0.299 nan 8.230 nan 0.000 0.433 702 E N -0.292 119.916 120.200 0.013 0.000 2.285 702 E HA -0.130 4.221 4.350 0.001 0.000 0.194 702 E C 2.187 178.797 176.600 0.016 0.000 0.997 702 E CA 0.708 57.116 56.400 0.014 0.000 0.845 702 E CB 0.349 30.054 29.700 0.008 0.000 0.782 702 E HN 0.265 nan 8.360 nan 0.000 0.491 703 V N 0.810 120.734 119.914 0.016 0.000 2.488 703 V HA -0.170 3.950 4.120 0.001 0.000 0.246 703 V C 2.073 178.181 176.094 0.023 0.000 1.046 703 V CA 1.297 63.608 62.300 0.017 0.000 1.053 703 V CB -0.127 31.705 31.823 0.014 0.000 0.679 703 V HN 0.228 nan 8.190 nan 0.000 0.458 704 Q N -0.800 119.015 119.800 0.026 0.000 2.435 704 Q HA 0.033 4.373 4.340 0.001 0.000 0.207 704 Q C 2.137 178.162 176.000 0.043 0.000 0.956 704 Q CA 1.015 56.837 55.803 0.032 0.000 0.917 704 Q CB -0.005 28.751 28.738 0.031 0.000 0.997 704 Q HN 0.685 nan 8.270 nan 0.000 0.497 705 A N -0.026 122.819 122.820 0.043 0.000 1.911 705 A HA -0.048 4.272 4.320 0.001 0.000 0.212 705 A C 2.106 179.729 177.584 0.064 0.000 1.189 705 A CA 1.081 53.152 52.037 0.057 0.000 0.639 705 A CB -0.294 18.731 19.000 0.040 0.000 0.839 705 A HN 0.212 nan 8.150 nan 0.000 0.449 706 T N -0.021 114.559 114.554 0.043 0.000 2.951 706 T HA -0.107 4.243 4.350 0.001 0.000 0.268 706 T C 1.631 176.351 174.700 0.033 0.000 1.073 706 T CA 1.210 63.332 62.100 0.037 0.000 1.134 706 T CB -0.236 68.644 68.868 0.021 0.000 0.884 706 T HN 0.550 nan 8.240 nan 0.000 0.479 707 D N 0.919 121.336 120.400 0.028 0.000 2.103 707 D HA -0.087 4.554 4.640 0.001 0.000 0.199 707 D C 2.357 178.661 176.300 0.005 0.000 0.978 707 D CA 0.882 54.890 54.000 0.013 0.000 0.829 707 D CB 0.107 40.917 40.800 0.017 0.000 0.981 707 D HN 0.133 nan 8.370 nan 0.000 0.464 708 R N 0.692 121.211 120.500 0.032 0.000 2.115 708 R HA -0.040 4.301 4.340 0.001 0.000 0.226 708 R C 2.105 178.430 176.300 0.042 0.000 1.100 708 R CA 0.858 56.969 56.100 0.020 0.000 0.980 708 R CB -0.067 30.299 30.300 0.110 0.000 0.875 708 R HN 0.026 nan 8.270 nan 0.000 0.445 709 E N 0.461 120.763 120.200 0.170 0.000 2.274 709 E HA -0.134 4.216 4.350 0.001 0.000 0.194 709 E C 0.959 177.636 176.600 0.127 0.000 0.996 709 E CA 0.939 57.505 56.400 0.277 0.000 0.840 709 E CB 0.238 30.053 29.700 0.192 0.000 0.772 709 E HN 0.483 nan 8.360 nan 0.000 0.491 710 E N -0.273 119.948 120.200 0.035 0.000 2.474 710 E HA 0.032 4.382 4.350 0.001 0.000 0.194 710 E C 0.268 176.837 176.600 -0.051 0.000 1.041 710 E CA -0.041 56.357 56.400 -0.003 0.000 0.874 710 E CB 0.075 29.770 29.700 -0.009 0.000 0.914 710 E HN 0.120 nan 8.360 nan 0.000 0.498 711 N N 0.935 119.570 118.700 -0.109 0.000 2.671 711 N HA 0.065 4.805 4.740 0.001 0.000 0.303 711 N C 0.770 176.125 175.510 -0.259 0.000 1.351 711 N CA -0.128 52.828 53.050 -0.156 0.000 0.991 711 N CB 0.530 38.925 38.487 -0.153 0.000 1.307 711 N HN -0.031 nan 8.380 nan 0.000 0.512 712 K N 0.404 120.689 120.400 -0.191 0.000 1.991 712 K HA -0.007 4.313 4.320 0.001 0.000 0.208 712 K C 0.511 177.053 176.600 -0.098 0.000 1.038 712 K CA 1.229 57.414 56.287 -0.171 0.000 0.943 712 K CB 0.256 32.779 32.500 0.037 0.000 0.736 712 K HN 0.115 nan 8.250 nan 0.000 0.440 713 Q N 0.443 120.215 119.800 -0.046 0.000 2.225 713 Q HA 0.266 4.606 4.340 0.001 0.000 0.259 713 Q C -1.160 174.823 176.000 -0.028 0.000 0.872 713 Q CA -0.104 55.682 55.803 -0.028 0.000 1.042 713 Q CB 0.936 29.667 28.738 -0.011 0.000 1.142 713 Q HN 0.159 nan 8.270 nan 0.000 0.463 714 I N 0.342 120.886 120.570 -0.044 0.000 2.608 714 I HA 0.671 4.841 4.170 0.001 0.000 0.295 714 I C -0.539 175.564 176.117 -0.025 0.000 1.049 714 I CA -1.315 59.968 61.300 -0.027 0.000 1.063 714 I CB 1.735 39.711 38.000 -0.040 0.000 1.248 714 I HN -0.076 nan 8.210 nan 0.000 0.424 715 A N 6.329 129.158 122.820 0.015 0.000 2.323 715 A HA 0.604 4.925 4.320 0.001 0.000 0.305 715 A C 0.584 178.185 177.584 0.028 0.000 1.275 715 A CA -0.428 51.615 52.037 0.009 0.000 0.804 715 A CB 0.622 19.628 19.000 0.010 0.000 1.152 715 A HN 0.756 nan 8.150 nan 0.000 0.487 716 L N 2.654 123.880 121.223 0.005 0.000 2.217 716 L HA -0.018 4.322 4.340 0.001 0.000 0.211 716 L C 2.664 179.550 176.870 0.028 0.000 1.107 716 L CA 1.243 56.093 54.840 0.016 0.000 0.783 716 L CB -0.461 41.600 42.059 0.003 0.000 0.919 716 L HN 0.828 nan 8.230 nan 0.000 0.442 717 G N 1.057 109.860 108.800 0.005 0.000 2.628 717 G HA2 -0.357 3.603 3.960 0.001 0.000 0.217 717 G HA3 -0.357 3.603 3.960 0.001 0.000 0.217 717 G C 1.634 176.523 174.900 -0.019 0.000 1.240 717 G CA 1.838 46.939 45.100 0.002 0.000 0.792 717 G HN 0.421 nan 8.290 nan 0.000 0.593 718 T N 0.317 114.787 114.554 -0.140 0.000 2.803 718 T HA -0.173 4.177 4.350 0.001 0.000 0.269 718 T C 2.580 177.234 174.700 -0.075 0.000 1.052 718 T CA 2.201 64.174 62.100 -0.211 0.000 1.136 718 T CB -0.531 68.011 68.868 -0.543 0.000 0.864 718 T HN 0.479 nan 8.240 nan 0.000 0.467 719 S N 1.726 117.435 115.700 0.016 0.000 2.395 719 S HA 0.071 4.541 4.470 0.001 0.000 0.225 719 S C 1.988 176.673 174.600 0.141 0.000 1.027 719 S CA 0.612 58.919 58.200 0.179 0.000 0.965 719 S CB -0.354 62.992 63.200 0.242 0.000 0.812 719 S HN 0.531 nan 8.310 nan 0.000 0.482 720 K N 0.144 120.621 120.400 0.128 0.000 2.147 720 K HA 0.060 4.380 4.320 0.001 0.000 0.205 720 K C 1.373 178.146 176.600 0.289 0.000 1.049 720 K CA 0.862 57.261 56.287 0.186 0.000 0.936 720 K CB -0.049 32.567 32.500 0.192 0.000 0.722 720 K HN 0.235 nan 8.250 nan 0.000 0.446 721 L N 0.362 121.738 121.223 0.255 0.000 2.575 721 L HA 0.203 4.544 4.340 0.001 0.000 0.228 721 L C 0.310 177.390 176.870 0.351 0.000 1.075 721 L CA 0.607 55.642 54.840 0.325 0.000 0.867 721 L CB -0.078 42.075 42.059 0.156 0.000 1.097 721 L HN 0.092 nan 8.230 nan 0.000 0.485 725 D N 4.965 124.988 120.400 -0.629 0.000 2.371 725 D HA 0.144 4.785 4.640 0.001 0.000 0.256 725 D C -1.407 174.488 176.300 -0.676 0.000 1.193 725 D CA -1.529 51.871 54.000 -1.000 0.000 0.881 725 D CB 1.525 42.077 40.800 -0.414 0.000 1.143 725 D HN 0.272 nan 8.370 nan 0.000 0.473 726 P HA -0.111 nan 4.420 nan 0.000 0.222 726 P C 1.037 177.991 177.300 -0.576 0.000 1.147 726 P CA 0.690 63.256 63.100 -0.889 0.000 0.790 726 P CB 0.457 31.155 31.700 -1.670 0.000 0.780 727 R N -0.329 119.821 120.500 -0.583 0.000 2.115 727 R HA 0.025 4.366 4.340 0.001 0.000 0.230 727 R C 2.566 178.753 176.300 -0.189 0.000 1.111 727 R CA 0.920 56.705 56.100 -0.525 0.000 0.976 727 R CB -0.696 29.074 30.300 -0.884 0.000 0.870 727 R HN 0.241 nan 8.270 nan 0.000 0.445 728 I N 0.243 120.807 120.570 -0.011 0.000 2.286 728 I HA -0.265 3.906 4.170 0.001 0.000 0.248 728 I C 1.871 178.045 176.117 0.094 0.000 1.115 728 I CA 1.394 62.772 61.300 0.131 0.000 1.392 728 I CB -0.386 37.622 38.000 0.014 0.000 1.065 728 I HN 0.177 nan 8.210 nan 0.000 0.418 729 T N 0.171 114.726 114.554 0.003 0.000 2.812 729 T HA -0.067 4.283 4.350 0.001 0.000 0.264 729 T C 1.991 176.725 174.700 0.056 0.000 1.042 729 T CA 0.967 63.084 62.100 0.028 0.000 1.140 729 T CB -0.222 68.589 68.868 -0.095 0.000 0.870 729 T HN 0.096 nan 8.240 nan 0.000 0.445 730 V N 1.734 121.630 119.914 -0.030 0.000 2.626 730 V HA -0.074 4.046 4.120 0.001 0.000 0.252 730 V C 2.737 178.824 176.094 -0.012 0.000 1.067 730 V CA 1.481 63.750 62.300 -0.051 0.000 1.081 730 V CB -0.987 30.741 31.823 -0.159 0.000 0.686 730 V HN 0.519 nan 8.190 nan 0.000 0.468 731 A N -1.818 121.028 122.820 0.042 0.000 2.119 731 A HA -0.148 4.172 4.320 0.001 0.000 0.216 731 A C 1.863 179.513 177.584 0.110 0.000 1.152 731 A CA 0.922 53.009 52.037 0.082 0.000 0.708 731 A CB -0.527 18.591 19.000 0.198 0.000 0.805 731 A HN 0.752 nan 8.150 nan 0.000 0.460 732 W N -1.159 120.128 121.300 -0.023 0.000 2.640 732 W HA -0.001 4.659 4.660 0.000 0.000 0.271 732 W C 1.913 178.440 176.519 0.014 0.000 1.218 732 W CA 1.041 58.402 57.345 0.027 0.000 1.382 732 W CB -0.152 29.378 29.460 0.118 0.000 1.067 732 W HN 0.242 nan 8.180 nan 0.000 0.590 733 C N 0.875 120.257 119.300 0.137 0.000 2.440 733 C HA -0.052 4.408 4.460 0.001 0.000 0.278 733 C C 2.397 177.303 174.990 -0.139 0.000 1.295 733 C CA 1.177 60.172 59.018 -0.039 0.000 1.738 733 C CB -0.976 26.770 27.740 0.011 0.000 1.987 733 C HN 0.248 nan 8.230 nan 0.000 0.492 734 K N 0.519 120.845 120.400 -0.122 0.000 2.365 734 K HA -0.057 4.263 4.320 0.001 0.000 0.197 734 K C 2.114 178.583 176.600 -0.217 0.000 1.042 734 K CA 0.531 56.735 56.287 -0.139 0.000 0.987 734 K CB -0.017 32.421 32.500 -0.103 0.000 0.779 734 K HN 0.460 nan 8.250 nan 0.000 0.484 735 K N -0.013 120.185 120.400 -0.336 0.000 2.044 735 K HA -0.070 4.250 4.320 0.001 0.000 0.204 735 K C 0.786 176.972 176.600 -0.690 0.000 1.045 735 K CA 0.892 56.833 56.287 -0.578 0.000 0.951 735 K CB 0.125 32.158 32.500 -0.779 0.000 0.738 735 K HN 0.146 nan 8.250 nan 0.000 0.443 736 W N 0.698 121.744 121.300 -0.424 0.000 3.325 736 W HA 0.259 4.919 4.660 0.000 0.000 0.370 736 W C 0.759 177.072 176.519 -0.343 0.000 1.169 736 W CA 0.039 57.118 57.345 -0.443 0.000 1.874 736 W CB 0.475 29.503 29.460 -0.721 0.000 1.076 736 W HN 0.390 nan 8.180 nan 0.000 0.684 737 G N 0.907 109.635 108.800 -0.120 0.000 2.233 737 G HA2 -0.328 3.632 3.960 0.001 0.000 0.270 737 G HA3 -0.328 3.632 3.960 0.001 0.000 0.270 737 G C 0.008 174.856 174.900 -0.087 0.000 1.011 737 G CA 0.294 45.341 45.100 -0.088 0.000 0.762 737 G HN 0.097 nan 8.290 nan 0.000 0.511 738 V N 2.773 122.606 119.914 -0.136 0.000 2.427 738 V HA 0.321 4.441 4.120 0.001 0.000 0.268 738 V C -0.965 175.090 176.094 -0.066 0.000 1.046 738 V CA -1.364 60.873 62.300 -0.105 0.000 0.970 738 V CB 1.082 32.814 31.823 -0.151 0.000 1.001 738 V HN 0.278 nan 8.190 nan 0.000 0.476 739 P HA 0.066 nan 4.420 nan 0.000 0.264 739 P C 1.211 178.489 177.300 -0.037 0.000 1.193 739 P CA -0.115 62.965 63.100 -0.032 0.000 0.763 739 P CB 0.789 32.477 31.700 -0.019 0.000 0.810 740 I N 2.718 123.271 120.570 -0.029 0.000 2.315 740 I HA -0.243 3.927 4.170 0.001 0.000 0.251 740 I C 1.719 177.834 176.117 -0.002 0.000 1.125 740 I CA 1.823 63.110 61.300 -0.023 0.000 1.392 740 I CB -1.760 36.258 38.000 0.030 0.000 1.065 740 I HN 0.373 nan 8.210 nan 0.000 0.424 741 E N 1.814 122.022 120.200 0.013 0.000 2.347 741 E HA -0.157 4.193 4.350 0.001 0.000 0.196 741 E C 1.334 177.938 176.600 0.008 0.000 1.008 741 E CA 0.554 56.971 56.400 0.030 0.000 0.852 741 E CB -0.394 29.324 29.700 0.031 0.000 0.783 741 E HN 0.460 nan 8.360 nan 0.000 0.505 742 K N 0.285 120.672 120.400 -0.022 0.000 2.458 742 K HA 0.165 4.486 4.320 0.001 0.000 0.194 742 K C 1.059 177.610 176.600 -0.080 0.000 1.024 742 K CA -0.021 56.249 56.287 -0.030 0.000 1.108 742 K CB 0.483 32.972 32.500 -0.018 0.000 0.846 742 K HN 0.223 nan 8.250 nan 0.000 0.518 743 I N -1.232 119.250 120.570 -0.146 0.000 3.685 743 I HA 0.048 4.218 4.170 0.001 0.000 0.258 743 I C 0.032 176.043 176.117 -0.178 0.000 1.135 743 I CA 0.148 61.258 61.300 -0.317 0.000 1.436 743 I CB -0.344 37.230 38.000 -0.711 0.000 1.670 743 I HN -0.162 nan 8.210 nan 0.000 0.424 744 Y N 3.237 123.521 120.300 -0.027 0.000 2.323 744 Y HA 0.303 4.853 4.550 0.001 0.000 0.331 744 Y C 0.763 176.676 175.900 0.022 0.000 1.092 744 Y CA -1.604 56.512 58.100 0.026 0.000 1.150 744 Y CB 0.241 38.734 38.460 0.055 0.000 1.200 744 Y HN 0.308 nan 8.280 nan 0.000 0.472 745 N N 0.746 119.570 118.700 0.206 0.000 2.374 745 N HA 0.144 4.885 4.740 0.001 0.000 0.284 745 N C 1.001 176.563 175.510 0.088 0.000 1.280 745 N CA -0.495 52.623 53.050 0.113 0.000 0.963 745 N CB 0.587 39.123 38.487 0.082 0.000 1.141 745 N HN 0.538 nan 8.380 nan 0.000 0.565 746 K N -1.360 119.075 120.400 0.059 0.000 2.009 746 K HA -0.164 4.157 4.320 0.001 0.000 0.210 746 K C 1.489 178.102 176.600 0.021 0.000 1.049 746 K CA 2.182 58.497 56.287 0.045 0.000 0.929 746 K CB -0.672 31.855 32.500 0.046 0.000 0.714 746 K HN 0.811 nan 8.250 nan 0.000 0.440 747 T N -1.168 113.390 114.554 0.006 0.000 2.995 747 T HA -0.070 4.280 4.350 0.001 0.000 0.269 747 T C 1.746 176.376 174.700 -0.117 0.000 1.091 747 T CA 0.816 62.897 62.100 -0.033 0.000 1.128 747 T CB -0.032 68.822 68.868 -0.023 0.000 0.891 747 T HN 0.328 nan 8.240 nan 0.000 0.492 748 Q N 0.517 120.250 119.800 -0.112 0.000 2.163 748 Q HA 0.153 4.493 4.340 0.001 0.000 0.198 748 Q C 2.589 178.392 176.000 -0.329 0.000 0.954 748 Q CA 0.674 56.316 55.803 -0.268 0.000 0.851 748 Q CB -0.063 28.638 28.738 -0.061 0.000 0.928 748 Q HN 0.435 nan 8.270 nan 0.000 0.459 749 R N 0.781 121.217 120.500 -0.107 0.000 2.115 749 R HA -0.105 4.235 4.340 0.001 0.000 0.230 749 R C 1.962 178.227 176.300 -0.060 0.000 1.111 749 R CA 1.051 57.123 56.100 -0.046 0.000 0.976 749 R CB 0.113 30.442 30.300 0.048 0.000 0.870 749 R HN 0.260 nan 8.270 nan 0.000 0.445 750 E N 0.183 120.351 120.200 -0.053 0.000 2.107 750 E HA -0.192 4.158 4.350 0.001 0.000 0.191 750 E C 1.756 178.348 176.600 -0.015 0.000 0.982 750 E CA 0.926 57.329 56.400 0.005 0.000 0.809 750 E CB 0.181 29.895 29.700 0.022 0.000 0.756 750 E HN 0.152 nan 8.360 nan 0.000 0.459 751 K N -0.102 120.181 120.400 -0.194 0.000 2.062 751 K HA -0.093 4.227 4.320 0.001 0.000 0.205 751 K C 0.762 177.228 176.600 -0.225 0.000 1.051 751 K CA 0.964 57.072 56.287 -0.298 0.000 0.941 751 K CB 0.028 32.105 32.500 -0.705 0.000 0.719 751 K HN 0.022 nan 8.250 nan 0.000 0.440 752 F N 0.745 120.559 119.950 -0.226 0.000 2.713 752 F HA 0.321 4.848 4.527 0.001 0.000 0.294 752 F C 1.411 176.851 175.800 -0.600 0.000 1.152 752 F CA -0.464 57.202 58.000 -0.558 0.000 1.385 752 F CB -0.202 38.342 39.000 -0.760 0.000 0.981 752 F HN 0.061 nan 8.300 nan 0.000 0.514 753 A N 0.980 123.697 122.820 -0.171 0.000 2.070 753 A HA -0.156 4.164 4.320 0.001 0.000 0.220 753 A C 2.025 179.117 177.584 -0.820 0.000 1.159 753 A CA 1.284 53.174 52.037 -0.245 0.000 0.656 753 A CB -1.011 18.036 19.000 0.078 0.000 0.800 753 A HN 0.722 nan 8.150 nan 0.000 0.453 754 W N -1.380 119.265 121.300 -1.092 0.000 2.467 754 W HA 0.194 4.854 4.660 0.000 0.000 0.275 754 W C 1.660 177.437 176.519 -1.237 0.000 1.239 754 W CA 0.858 57.075 57.345 -1.880 0.000 1.266 754 W CB -0.858 27.748 29.460 -1.424 0.000 1.112 754 W HN 0.348 nan 8.180 nan 0.000 0.576 755 A N 1.750 123.847 122.820 -1.205 0.000 1.903 755 A HA 0.026 4.346 4.320 0.001 0.000 0.213 755 A C 2.095 179.301 177.584 -0.630 0.000 1.185 755 A CA 1.227 52.646 52.037 -1.029 0.000 0.628 755 A CB -0.882 17.394 19.000 -1.206 0.000 0.830 755 A HN 0.227 nan 8.150 nan 0.000 0.446 756 I N -0.191 120.080 120.570 -0.499 0.000 2.361 756 I HA -0.215 3.955 4.170 0.001 0.000 0.251 756 I C 2.079 178.052 176.117 -0.240 0.000 1.133 756 I CA 1.836 62.967 61.300 -0.283 0.000 1.413 756 I CB -0.296 37.603 38.000 -0.169 0.000 1.073 756 I HN 0.349 nan 8.210 nan 0.000 0.424 757 D N 0.130 120.340 120.400 -0.317 0.000 2.202 757 D HA 0.053 4.693 4.640 0.001 0.000 0.214 757 D C 1.279 177.464 176.300 -0.192 0.000 0.967 757 D CA 0.642 54.546 54.000 -0.160 0.000 0.871 757 D CB 0.229 41.053 40.800 0.041 0.000 1.020 757 D HN -0.010 nan 8.370 nan 0.000 0.474 758 M N 0.403 119.780 119.600 -0.372 0.000 2.163 758 M HA 0.365 4.845 4.480 0.001 0.000 0.305 758 M C 0.245 176.376 176.300 -0.281 0.000 1.166 758 M CA -0.446 54.677 55.300 -0.296 0.000 1.132 758 M CB 0.782 33.136 32.600 -0.410 0.000 1.413 758 M HN 0.133 nan 8.290 nan 0.000 0.478 759 A N 1.798 124.497 122.820 -0.203 0.000 1.426 759 A HA -0.167 4.153 4.320 0.001 0.000 0.176 759 A C -0.302 177.201 177.584 -0.134 0.000 1.222 759 A CA 0.736 52.658 52.037 -0.191 0.000 0.603 759 A CB -1.639 17.038 19.000 -0.538 0.000 1.101 759 A HN 0.911 nan 8.150 nan 0.000 0.155 760 D N 1.650 122.030 120.400 -0.033 0.000 2.425 760 D HA 0.412 5.053 4.640 0.001 0.000 0.274 760 D C 1.547 177.849 176.300 0.004 0.000 1.242 760 D CA -0.012 53.971 54.000 -0.028 0.000 1.060 760 D CB 0.198 40.986 40.800 -0.021 0.000 1.112 760 D HN 0.641 nan 8.370 nan 0.000 0.561 761 E N -0.131 120.050 120.200 -0.031 0.000 2.265 761 E HA -0.248 4.102 4.350 0.001 0.000 0.196 761 E C 0.265 176.853 176.600 -0.020 0.000 0.996 761 E CA 1.300 57.667 56.400 -0.055 0.000 0.832 761 E CB -0.636 28.984 29.700 -0.133 0.000 0.756 761 E HN 0.527 nan 8.360 nan 0.000 0.491 762 D N -0.111 120.296 120.400 0.011 0.000 2.319 762 D HA -0.012 4.628 4.640 0.001 0.000 0.230 762 D C -0.446 175.899 176.300 0.074 0.000 1.094 762 D CA -0.027 53.985 54.000 0.019 0.000 0.856 762 D CB -0.296 40.508 40.800 0.006 0.000 0.915 762 D HN 0.188 nan 8.370 nan 0.000 0.517 763 Y N 1.997 122.294 120.300 -0.006 0.000 2.436 763 Y HA 0.188 4.739 4.550 0.001 0.000 0.336 763 Y C -0.119 175.814 175.900 0.054 0.000 1.049 763 Y CA -0.331 57.784 58.100 0.024 0.000 1.294 763 Y CB 0.326 38.798 38.460 0.021 0.000 1.179 763 Y HN -0.137 nan 8.280 nan 0.000 0.520 764 E N 6.169 126.044 120.200 -0.542 0.000 2.199 764 E HA 0.213 4.563 4.350 0.001 0.000 0.269 764 E C -1.089 175.075 176.600 -0.726 0.000 0.899 764 E CA -0.848 55.307 56.400 -0.407 0.000 0.772 764 E CB 1.508 31.095 29.700 -0.189 0.000 1.155 764 E HN 0.593 nan 8.360 nan 0.000 0.408 765 F N 0.000 119.638 119.950 -0.520 0.000 2.286 765 F HA 0.000 4.527 4.527 0.000 0.000 0.279 765 F CA 0.000 57.819 58.000 -0.302 0.000 1.383 765 F CB 0.000 38.969 39.000 -0.051 0.000 1.145 765 F HN 0.000 nan 8.300 nan 0.000 0.574