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 2x9m_1_B DATA FIRST_RESID 186 DATA SEQUENCE NQIcLQKTTS TILKPRLISY TLPINTREGV cITDPLLAVD NGFFAYSHLE DATA SEQUENCE KIGScTRGIA KQRIIGVGEV LDRGDKVPSM FMTNVWTPPN PSTIHHcSST DATA SEQUENCE YHEDFYYTLc AVSHVGDPIL NSTSWTESLS LIRLAVRPKS DSGDYNQKYI DATA SEQUENCE AITKVERGKY DKVMPYGPSG IKQGDTLYFP AVGFLPRTEF QYNDSNcPII DATA SEQUENCE HcKYSKAENc RLSMGVNSKS HYILRSGLLK YNLSLGGDII LQFIEIADNR DATA SEQUENCE LTIGSPSKIY NSLGQPVFYQ ASYSWDTMIK LGDVDTVDPL RVQWRNNSVI DATA SEQUENCE SRPGQSQcPR FNVcPEVcWE GTYNDAFLID RLNWVSAGVY LNSNQTAENP DATA SEQUENCE VFAVFKDNEI LYQVPLAEDD TNAQKTITDc FLLENVIWcI SLVEIYDTGD DATA SEQUENCE SVIRPKLFAV KIPAQcSE 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 186 N HA 0.000 nan 4.740 nan 0.000 0.220 186 N C 0.000 175.507 175.510 -0.005 0.000 1.280 186 N CA 0.000 53.051 53.050 0.002 0.000 0.885 186 N CB 0.000 38.488 38.487 0.001 0.000 1.341 187 Q N 0.931 120.727 119.800 -0.007 0.000 2.474 187 Q HA 0.553 4.893 4.340 -0.000 0.000 0.256 187 Q C -0.117 175.876 176.000 -0.013 0.000 1.048 187 Q CA 0.116 55.914 55.803 -0.007 0.000 0.922 187 Q CB 0.415 29.149 28.738 -0.006 0.000 1.288 187 Q HN 0.526 nan 8.270 nan 0.000 0.484 188 I N -1.432 119.137 120.570 -0.002 0.000 3.239 188 I HA 0.523 4.692 4.170 -0.000 0.000 0.314 188 I C -0.965 175.170 176.117 0.030 0.000 1.126 188 I CA -1.458 59.847 61.300 0.008 0.000 0.973 188 I CB 1.605 39.624 38.000 0.031 0.000 1.252 188 I HN 0.672 nan 8.210 nan 0.000 0.463 189 c N 3.312 121.939 118.600 0.044 0.000 2.632 189 c HA 0.447 5.017 4.570 -0.000 0.000 0.415 189 c C 1.048 175.260 174.090 0.204 0.000 1.332 189 c CA -0.089 56.277 56.329 0.062 0.000 1.874 189 c CB -0.898 41.552 42.510 -0.099 0.000 2.596 189 c HN 0.776 nan 8.230 nan 0.000 0.590 190 L N 4.413 125.720 121.223 0.139 0.000 2.906 190 L HA 0.248 4.588 4.340 -0.000 0.000 0.255 190 L C 0.865 177.810 176.870 0.124 0.000 1.166 190 L CA 0.173 55.089 54.840 0.126 0.000 0.977 190 L CB -0.304 41.797 42.059 0.068 0.000 1.313 190 L HN 0.726 nan 8.230 nan 0.000 0.549 191 Q N 1.119 121.005 119.800 0.144 0.000 2.230 191 Q HA 0.231 4.571 4.340 -0.000 0.000 0.253 191 Q C -0.220 175.883 176.000 0.172 0.000 0.919 191 Q CA -0.386 55.487 55.803 0.117 0.000 0.908 191 Q CB 2.048 30.830 28.738 0.074 0.000 1.245 191 Q HN -0.050 nan 8.270 nan 0.000 0.437 192 K N 1.694 122.167 120.400 0.121 0.000 2.378 192 K HA 0.148 4.468 4.320 -0.000 0.000 0.288 192 K C -0.937 175.735 176.600 0.121 0.000 1.057 192 K CA 0.339 56.702 56.287 0.126 0.000 0.971 192 K CB 0.534 33.079 32.500 0.076 0.000 0.975 192 K HN 0.508 nan 8.250 nan 0.000 0.475 193 T N 1.948 116.600 114.554 0.162 0.000 2.933 193 T HA 0.177 4.527 4.350 -0.000 0.000 0.305 193 T C 0.441 175.206 174.700 0.109 0.000 1.092 193 T CA -0.625 61.537 62.100 0.104 0.000 1.008 193 T CB 1.373 70.277 68.868 0.060 0.000 1.102 193 T HN 0.670 nan 8.240 nan 0.000 0.469 194 T N 0.644 115.239 114.554 0.068 0.000 3.144 194 T HA 0.274 4.624 4.350 -0.000 0.000 0.249 194 T C 0.735 175.458 174.700 0.040 0.000 1.089 194 T CA -0.330 61.807 62.100 0.062 0.000 0.989 194 T CB -0.121 68.775 68.868 0.046 0.000 0.992 194 T HN 0.397 nan 8.240 nan 0.000 0.540 195 S N 3.186 118.899 115.700 0.022 0.000 2.572 195 S HA 0.289 4.758 4.470 -0.000 0.000 0.279 195 S C 0.911 175.503 174.600 -0.012 0.000 1.341 195 S CA -0.439 57.758 58.200 -0.007 0.000 1.043 195 S CB 0.691 63.871 63.200 -0.033 0.000 0.887 195 S HN 0.674 nan 8.310 nan 0.000 0.516 196 T N -0.020 114.522 114.554 -0.019 0.000 4.104 196 T HA 0.265 4.615 4.350 -0.000 0.000 0.285 196 T C 1.015 175.681 174.700 -0.056 0.000 1.346 196 T CA -0.463 61.625 62.100 -0.021 0.000 1.158 196 T CB -1.207 67.652 68.868 -0.015 0.000 1.290 196 T HN 0.633 nan 8.240 nan 0.000 0.975 197 I N -1.146 119.369 120.570 -0.092 0.000 3.603 197 I HA 0.396 4.566 4.170 -0.000 0.000 0.297 197 I C 0.192 176.217 176.117 -0.154 0.000 1.269 197 I CA -0.287 60.918 61.300 -0.159 0.000 1.361 197 I CB 0.073 37.906 38.000 -0.278 0.000 1.063 197 I HN 0.307 nan 8.210 nan 0.000 0.448 198 L N 3.203 124.378 121.223 -0.080 0.000 2.275 198 L HA 0.440 4.780 4.340 -0.000 0.000 0.288 198 L C -0.156 176.666 176.870 -0.080 0.000 1.046 198 L CA -0.193 54.609 54.840 -0.063 0.000 0.805 198 L CB 1.132 43.224 42.059 0.055 0.000 1.193 198 L HN 0.132 nan 8.230 nan 0.000 0.426 199 K N 4.471 124.799 120.400 -0.120 0.000 2.624 199 K HA 0.352 4.672 4.320 -0.000 0.000 0.200 199 K C -2.472 174.073 176.600 -0.092 0.000 1.036 199 K CA -1.662 54.573 56.287 -0.087 0.000 1.029 199 K CB 1.247 33.704 32.500 -0.072 0.000 1.317 199 K HN 0.265 nan 8.250 nan 0.000 0.555 200 P HA 0.013 nan 4.420 nan 0.000 0.268 200 P C -0.561 176.787 177.300 0.080 0.000 1.204 200 P CA 0.012 63.082 63.100 -0.050 0.000 0.768 200 P CB 0.552 32.198 31.700 -0.090 0.000 0.842 201 R N 1.906 122.481 120.500 0.126 0.000 2.807 201 R HA 0.557 4.897 4.340 -0.000 0.000 0.276 201 R C -1.258 175.086 176.300 0.072 0.000 0.979 201 R CA -1.110 55.053 56.100 0.105 0.000 0.928 201 R CB 0.614 30.967 30.300 0.089 0.000 1.191 201 R HN 0.094 nan 8.270 nan 0.000 0.471 202 L N 3.047 124.245 121.223 -0.042 0.000 2.410 202 L HA 0.291 4.630 4.340 -0.000 0.000 0.273 202 L C 0.477 177.284 176.870 -0.104 0.000 1.144 202 L CA -0.114 54.612 54.840 -0.190 0.000 0.863 202 L CB 0.584 42.523 42.059 -0.200 0.000 1.140 202 L HN 0.626 nan 8.230 nan 0.000 0.463 203 I N 2.095 122.594 120.570 -0.120 0.000 2.581 203 I HA 0.132 4.302 4.170 -0.000 0.000 0.288 203 I C 0.493 176.592 176.117 -0.030 0.000 1.047 203 I CA -0.079 61.173 61.300 -0.081 0.000 1.374 203 I CB 1.322 39.254 38.000 -0.114 0.000 1.423 203 I HN 0.640 nan 8.210 nan 0.000 0.549 204 S N 7.218 122.873 115.700 -0.075 0.000 2.448 204 S HA 0.309 4.779 4.470 -0.000 0.000 0.279 204 S C -0.936 173.583 174.600 -0.136 0.000 1.195 204 S CA -0.285 57.845 58.200 -0.117 0.000 1.051 204 S CB -0.154 62.942 63.200 -0.174 0.000 0.948 204 S HN 0.485 nan 8.310 nan 0.000 0.493 205 Y N 1.330 121.414 120.300 -0.360 0.000 2.470 205 Y HA 0.660 5.210 4.550 -0.000 0.000 0.341 205 Y C -0.335 175.352 175.900 -0.354 0.000 1.021 205 Y CA -1.105 56.740 58.100 -0.424 0.000 1.025 205 Y CB 0.819 39.020 38.460 -0.431 0.000 1.266 205 Y HN 0.507 nan 8.280 nan 0.000 0.448 206 T N 2.722 117.044 114.554 -0.386 0.000 2.875 206 T HA 0.788 5.138 4.350 -0.000 0.000 0.284 206 T C -0.938 173.639 174.700 -0.205 0.000 0.995 206 T CA -0.446 61.461 62.100 -0.321 0.000 1.060 206 T CB 1.377 70.122 68.868 -0.204 0.000 0.967 206 T HN 0.670 nan 8.240 nan 0.000 0.476 207 L N 2.357 123.452 121.223 -0.214 0.000 2.409 207 L HA 0.578 4.918 4.340 -0.000 0.000 0.255 207 L C -2.491 174.341 176.870 -0.064 0.000 1.027 207 L CA -2.333 52.440 54.840 -0.112 0.000 0.834 207 L CB 1.544 43.526 42.059 -0.129 0.000 1.426 207 L HN 0.478 nan 8.230 nan 0.000 0.411 208 P HA 0.079 nan 4.420 nan 0.000 0.258 208 P C -0.798 176.498 177.300 -0.007 0.000 1.187 208 P CA 0.117 63.217 63.100 0.000 0.000 0.767 208 P CB -0.107 31.606 31.700 0.022 0.000 0.770 209 I N 3.697 124.252 120.570 -0.025 0.000 2.416 209 I HA 0.149 4.319 4.170 -0.000 0.000 0.288 209 I C 0.869 176.975 176.117 -0.019 0.000 1.051 209 I CA 0.104 61.382 61.300 -0.037 0.000 1.375 209 I CB -0.108 37.862 38.000 -0.049 0.000 1.407 209 I HN 0.373 nan 8.210 nan 0.000 0.516 210 N N 3.238 121.928 118.700 -0.017 0.000 2.335 210 N HA 0.522 5.262 4.740 -0.000 0.000 0.304 210 N C -0.408 175.092 175.510 -0.016 0.000 1.135 210 N CA -0.421 52.624 53.050 -0.008 0.000 0.817 210 N CB 1.792 40.282 38.487 0.006 0.000 1.294 210 N HN 0.625 nan 8.380 nan 0.000 0.497 211 T N -0.944 113.602 114.554 -0.012 0.000 3.630 211 T HA 0.417 4.767 4.350 -0.000 0.000 0.238 211 T C -0.507 174.187 174.700 -0.010 0.000 1.195 211 T CA -0.689 61.403 62.100 -0.014 0.000 1.433 211 T CB -0.302 68.557 68.868 -0.015 0.000 0.940 211 T HN 0.325 nan 8.240 nan 0.000 0.641 212 R N 1.321 121.816 120.500 -0.009 0.000 2.445 212 R HA 0.570 4.910 4.340 -0.000 0.000 0.308 212 R C -0.188 176.107 176.300 -0.008 0.000 0.961 212 R CA -0.869 55.227 56.100 -0.006 0.000 0.862 212 R CB 1.399 31.697 30.300 -0.003 0.000 1.144 212 R HN 0.363 nan 8.270 nan 0.000 0.447 213 E N 0.616 120.812 120.200 -0.006 0.000 2.314 213 E HA 0.241 4.591 4.350 -0.000 0.000 0.262 213 E C 0.648 177.247 176.600 -0.003 0.000 1.093 213 E CA -0.194 56.202 56.400 -0.006 0.000 0.908 213 E CB 1.147 30.844 29.700 -0.004 0.000 1.091 213 E HN 0.812 nan 8.360 nan 0.000 0.425 214 G N -0.052 108.747 108.800 -0.001 0.000 2.326 214 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.286 214 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.286 214 G C -0.451 174.452 174.900 0.005 0.000 1.096 214 G CA 0.235 45.337 45.100 0.004 0.000 1.003 214 G HN 0.243 nan 8.290 nan 0.000 0.503 215 V N -0.213 119.702 119.914 0.001 0.000 2.841 215 V HA 0.709 4.829 4.120 -0.000 0.000 0.310 215 V C 0.072 176.163 176.094 -0.005 0.000 1.090 215 V CA -0.488 61.810 62.300 -0.003 0.000 0.930 215 V CB 2.317 34.131 31.823 -0.015 0.000 1.014 215 V HN 0.854 nan 8.190 nan 0.000 0.425 216 c N 6.473 125.074 118.600 0.002 0.000 2.379 216 c HA 0.666 5.236 4.570 -0.000 0.000 0.323 216 c C -0.652 173.417 174.090 -0.035 0.000 1.262 216 c CA -0.624 55.710 56.329 0.009 0.000 1.581 216 c CB 0.222 42.779 42.510 0.079 0.000 2.221 216 c HN 0.674 nan 8.230 nan 0.000 0.497 217 I N 6.736 127.252 120.570 -0.090 0.000 2.312 217 I HA 0.449 4.619 4.170 -0.000 0.000 0.290 217 I C 0.787 176.858 176.117 -0.076 0.000 1.008 217 I CA 0.447 61.641 61.300 -0.176 0.000 1.226 217 I CB 0.818 38.653 38.000 -0.274 0.000 1.371 217 I HN 0.939 nan 8.210 nan 0.000 0.468 218 T N 0.878 115.429 114.554 -0.005 0.000 2.696 218 T HA 0.404 4.754 4.350 -0.000 0.000 0.291 218 T C -0.212 174.533 174.700 0.076 0.000 1.095 218 T CA -0.689 61.456 62.100 0.076 0.000 1.026 218 T CB 1.672 70.626 68.868 0.142 0.000 1.390 218 T HN 0.423 nan 8.240 nan 0.000 0.513 219 D N 1.610 122.055 120.400 0.074 0.000 2.697 219 D HA -0.083 4.557 4.640 -0.000 0.000 0.235 219 D C -2.541 173.763 176.300 0.007 0.000 1.167 219 D CA 0.129 54.151 54.000 0.036 0.000 0.656 219 D CB -0.878 39.938 40.800 0.026 0.000 1.025 219 D HN 0.473 nan 8.370 nan 0.000 0.419 220 P HA 0.419 nan 4.420 nan 0.000 0.276 220 P C -0.332 176.904 177.300 -0.107 0.000 1.244 220 P CA -0.652 62.399 63.100 -0.082 0.000 0.801 220 P CB 0.913 32.597 31.700 -0.026 0.000 1.006 221 L N 1.782 122.889 121.223 -0.193 0.000 2.445 221 L HA 0.768 5.108 4.340 -0.000 0.000 0.262 221 L C -1.991 174.830 176.870 -0.082 0.000 0.974 221 L CA -1.090 53.686 54.840 -0.107 0.000 0.822 221 L CB 2.035 44.048 42.059 -0.076 0.000 1.339 221 L HN 0.216 nan 8.230 nan 0.000 0.409 222 L N 4.549 125.792 121.223 0.032 0.000 2.516 222 L HA 0.893 5.233 4.340 -0.000 0.000 0.267 222 L C -1.379 175.569 176.870 0.130 0.000 0.957 222 L CA -0.012 54.896 54.840 0.112 0.000 0.860 222 L CB 1.831 43.966 42.059 0.127 0.000 1.265 222 L HN 0.750 nan 8.230 nan 0.000 0.403 223 A N 4.611 127.514 122.820 0.139 0.000 2.356 223 A HA 0.878 5.198 4.320 -0.000 0.000 0.310 223 A C -1.575 176.154 177.584 0.240 0.000 1.075 223 A CA -0.545 51.607 52.037 0.191 0.000 0.746 223 A CB 1.799 20.929 19.000 0.217 0.000 1.221 223 A HN 0.536 nan 8.150 nan 0.000 0.443 224 V N 2.558 122.618 119.914 0.243 0.000 2.483 224 V HA 0.657 4.777 4.120 -0.000 0.000 0.297 224 V C -1.181 175.014 176.094 0.168 0.000 1.027 224 V CA -0.425 61.983 62.300 0.181 0.000 0.855 224 V CB 1.743 33.579 31.823 0.021 0.000 0.995 224 V HN 0.949 nan 8.190 nan 0.000 0.424 225 D N 3.908 124.383 120.400 0.125 0.000 2.937 225 D HA 0.270 4.910 4.640 -0.000 0.000 0.215 225 D C -0.023 176.131 176.300 -0.242 0.000 1.274 225 D CA -0.403 53.602 54.000 0.008 0.000 0.869 225 D CB 1.398 42.252 40.800 0.090 0.000 1.675 225 D HN 0.488 nan 8.370 nan 0.000 0.538 226 N N 2.683 121.261 118.700 -0.204 0.000 2.721 226 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 226 N C 0.848 176.145 175.510 -0.354 0.000 1.072 226 N CA 2.598 55.504 53.050 -0.241 0.000 0.710 226 N CB -1.137 37.165 38.487 -0.310 0.000 0.993 226 N HN 1.000 nan 8.380 nan 0.000 0.547 227 G N -2.776 105.783 108.800 -0.402 0.000 2.162 227 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 227 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 227 G C 0.095 174.521 174.900 -0.789 0.000 0.976 227 G CA 0.578 45.321 45.100 -0.595 0.000 0.655 227 G HN 0.476 nan 8.290 nan 0.000 0.533 228 F N -0.537 119.331 119.950 -0.137 0.000 2.618 228 F HA 0.829 5.356 4.527 -0.000 0.000 0.332 228 F C 0.211 176.146 175.800 0.226 0.000 1.061 228 F CA -1.274 56.755 58.000 0.048 0.000 0.974 228 F CB 1.526 40.548 39.000 0.036 0.000 1.310 228 F HN 0.198 nan 8.300 nan 0.000 0.491 229 F N 0.226 120.366 119.950 0.317 0.000 2.599 229 F HA 0.945 5.472 4.527 -0.000 0.000 0.311 229 F C -1.357 174.347 175.800 -0.159 0.000 1.076 229 F CA -1.420 56.644 58.000 0.107 0.000 0.937 229 F CB 1.280 40.292 39.000 0.019 0.000 1.282 229 F HN 0.591 nan 8.300 nan 0.000 0.460 230 A N 2.639 125.161 122.820 -0.496 0.000 2.355 230 A HA 0.738 5.058 4.320 -0.000 0.000 0.317 230 A C -2.267 175.330 177.584 0.022 0.000 1.094 230 A CA -0.726 50.925 52.037 -0.643 0.000 0.764 230 A CB 0.973 19.250 19.000 -1.205 0.000 1.230 230 A HN 1.076 nan 8.150 nan 0.000 0.448 231 Y N 1.310 121.582 120.300 -0.046 0.000 2.504 231 Y HA 0.667 5.216 4.550 -0.000 0.000 0.344 231 Y C -0.381 175.543 175.900 0.040 0.000 1.023 231 Y CA -0.269 57.897 58.100 0.111 0.000 1.020 231 Y CB 2.030 40.679 38.460 0.314 0.000 1.282 231 Y HN 0.841 nan 8.280 nan 0.000 0.454 232 S N 4.540 119.860 115.700 -0.634 0.000 2.556 232 S HA 0.635 5.105 4.470 -0.000 0.000 0.271 232 S C -1.875 172.367 174.600 -0.598 0.000 1.135 232 S CA -0.478 57.452 58.200 -0.450 0.000 0.858 232 S CB 1.061 64.178 63.200 -0.138 0.000 1.114 232 S HN 0.998 nan 8.310 nan 0.000 0.468 233 H N 1.261 120.213 119.070 -0.197 0.000 2.990 233 H HA 0.701 5.257 4.556 -0.000 0.000 0.336 233 H C -2.026 173.311 175.328 0.015 0.000 1.306 233 H CA -1.011 54.986 56.048 -0.085 0.000 1.118 233 H CB 1.128 30.890 29.762 0.001 0.000 1.856 233 H HN 0.505 nan 8.280 nan 0.000 0.538 234 L N 1.720 123.109 121.223 0.277 0.000 2.305 234 L HA 0.292 4.632 4.340 -0.000 0.000 0.284 234 L C -0.097 176.854 176.870 0.134 0.000 1.013 234 L CA -0.285 54.678 54.840 0.204 0.000 0.819 234 L CB 1.566 43.696 42.059 0.118 0.000 1.227 234 L HN 0.791 nan 8.230 nan 0.000 0.417 235 E N 5.183 125.464 120.200 0.135 0.000 2.229 235 E HA 0.297 4.647 4.350 -0.000 0.000 0.283 235 E C -1.081 175.538 176.600 0.033 0.000 1.030 235 E CA -0.465 55.948 56.400 0.022 0.000 0.836 235 E CB 0.730 30.451 29.700 0.035 0.000 1.068 235 E HN 0.528 nan 8.360 nan 0.000 0.401 236 K N 4.381 124.793 120.400 0.019 0.000 2.259 236 K HA 0.429 4.749 4.320 -0.000 0.000 0.249 236 K C -0.414 176.197 176.600 0.019 0.000 0.942 236 K CA -0.863 55.440 56.287 0.028 0.000 0.816 236 K CB 1.704 34.227 32.500 0.038 0.000 1.155 236 K HN 0.549 nan 8.250 nan 0.000 0.428 237 I N 2.549 123.131 120.570 0.020 0.000 2.312 237 I HA 0.182 4.352 4.170 -0.000 0.000 0.291 237 I C 0.969 177.097 176.117 0.019 0.000 1.031 237 I CA 0.571 61.881 61.300 0.016 0.000 1.293 237 I CB 0.648 38.655 38.000 0.013 0.000 1.403 237 I HN 1.015 nan 8.210 nan 0.000 0.484 238 G N 4.852 113.664 108.800 0.019 0.000 2.754 238 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.241 238 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.241 238 G C 0.015 174.932 174.900 0.030 0.000 1.281 238 G CA 0.010 45.123 45.100 0.021 0.000 0.971 238 G HN 0.646 nan 8.290 nan 0.000 0.569 239 S N -0.312 115.404 115.700 0.028 0.000 2.585 239 S HA 0.366 4.836 4.470 -0.000 0.000 0.273 239 S C 1.692 176.318 174.600 0.043 0.000 1.339 239 S CA 0.429 58.648 58.200 0.030 0.000 1.028 239 S CB 0.681 63.891 63.200 0.017 0.000 0.906 239 S HN 1.102 nan 8.310 nan 0.000 0.528 240 c N 2.352 120.986 118.600 0.057 0.000 2.475 240 c HA 0.017 4.587 4.570 -0.000 0.000 0.279 240 c C 2.719 176.831 174.090 0.037 0.000 1.322 240 c CA 1.022 57.404 56.329 0.089 0.000 1.734 240 c CB -1.732 40.881 42.510 0.171 0.000 2.005 240 c HN 1.016 nan 8.230 nan 0.000 0.495 241 T N 0.459 115.010 114.554 -0.006 0.000 2.942 241 T HA -0.080 4.270 4.350 -0.000 0.000 0.265 241 T C 1.325 176.027 174.700 0.003 0.000 1.062 241 T CA 0.987 63.076 62.100 -0.019 0.000 1.139 241 T CB -0.226 68.616 68.868 -0.043 0.000 0.883 241 T HN 0.777 nan 8.240 nan 0.000 0.468 242 R N 0.674 121.180 120.500 0.011 0.000 2.548 242 R HA 0.462 4.802 4.340 -0.000 0.000 0.449 242 R C 0.586 176.900 176.300 0.022 0.000 0.928 242 R CA -0.638 55.472 56.100 0.017 0.000 1.107 242 R CB 0.028 30.336 30.300 0.013 0.000 1.557 242 R HN 0.242 nan 8.270 nan 0.000 0.584 243 G N 1.140 109.956 108.800 0.026 0.000 2.562 243 G HA2 0.390 4.350 3.960 -0.000 0.000 0.275 243 G HA3 0.390 4.350 3.960 -0.000 0.000 0.275 243 G C 0.004 174.922 174.900 0.030 0.000 1.196 243 G CA -0.754 44.362 45.100 0.027 0.000 0.908 243 G HN 0.086 nan 8.290 nan 0.000 0.524 244 I N 1.441 122.027 120.570 0.027 0.000 2.517 244 I HA 0.172 4.341 4.170 -0.000 0.000 0.285 244 I C 1.270 177.404 176.117 0.029 0.000 1.106 244 I CA -0.666 60.650 61.300 0.027 0.000 1.402 244 I CB 0.187 38.200 38.000 0.022 0.000 1.399 244 I HN 0.483 nan 8.210 nan 0.000 0.535 245 A N 6.917 129.758 122.820 0.035 0.000 2.520 245 A HA 0.065 4.385 4.320 -0.000 0.000 0.245 245 A C 1.174 178.773 177.584 0.024 0.000 1.072 245 A CA 0.131 52.190 52.037 0.036 0.000 0.761 245 A CB 0.196 19.222 19.000 0.045 0.000 1.004 245 A HN 0.893 nan 8.150 nan 0.000 0.499 246 K N 1.069 121.484 120.400 0.025 0.000 2.312 246 K HA 0.182 4.502 4.320 -0.000 0.000 0.206 246 K C 0.535 177.142 176.600 0.012 0.000 1.121 246 K CA 0.469 56.766 56.287 0.016 0.000 0.923 246 K CB 0.285 32.795 32.500 0.017 0.000 1.162 246 K HN 0.762 nan 8.250 nan 0.000 0.478 247 Q N 0.634 120.454 119.800 0.033 0.000 2.284 247 Q HA 0.281 4.620 4.340 -0.000 0.000 0.269 247 Q C -1.856 174.187 176.000 0.073 0.000 1.026 247 Q CA -0.967 54.855 55.803 0.032 0.000 0.831 247 Q CB 2.017 30.781 28.738 0.043 0.000 1.322 247 Q HN 0.073 nan 8.270 nan 0.000 0.419 248 R N 4.212 124.723 120.500 0.018 0.000 2.393 248 R HA 0.601 4.941 4.340 -0.000 0.000 0.310 248 R C -1.169 175.122 176.300 -0.015 0.000 0.968 248 R CA -0.329 55.792 56.100 0.035 0.000 0.867 248 R CB 0.700 31.007 30.300 0.013 0.000 1.124 248 R HN 0.652 nan 8.270 nan 0.000 0.450 249 I N 1.688 122.247 120.570 -0.017 0.000 2.509 249 I HA 0.570 4.740 4.170 -0.000 0.000 0.293 249 I C -0.896 175.247 176.117 0.044 0.000 1.020 249 I CA -1.073 60.210 61.300 -0.028 0.000 1.088 249 I CB 2.041 39.983 38.000 -0.097 0.000 1.267 249 I HN 0.496 nan 8.210 nan 0.000 0.430 250 I N 5.064 125.744 120.570 0.184 0.000 2.389 250 I HA 0.670 4.840 4.170 -0.000 0.000 0.288 250 I C 0.240 176.458 176.117 0.168 0.000 0.999 250 I CA -0.437 60.977 61.300 0.191 0.000 1.129 250 I CB 1.829 39.993 38.000 0.274 0.000 1.288 250 I HN 0.867 nan 8.210 nan 0.000 0.444 251 G N 5.223 114.094 108.800 0.117 0.000 2.563 251 G HA2 0.756 4.716 3.960 -0.000 0.000 0.302 251 G HA3 0.756 4.716 3.960 -0.000 0.000 0.302 251 G C -1.075 173.766 174.900 -0.098 0.000 1.301 251 G CA -0.582 44.559 45.100 0.068 0.000 0.965 251 G HN 0.504 nan 8.290 nan 0.000 0.480 252 V N -1.182 118.610 119.914 -0.203 0.000 3.078 252 V HA 1.084 5.204 4.120 -0.000 0.000 0.311 252 V C 0.219 176.011 176.094 -0.504 0.000 1.138 252 V CA -0.080 61.951 62.300 -0.448 0.000 1.007 252 V CB 1.493 33.220 31.823 -0.160 0.000 1.045 252 V HN 1.937 nan 8.190 nan 0.000 0.432 253 G N 1.062 109.434 108.800 -0.713 0.000 2.428 253 G HA2 0.498 4.458 3.960 -0.000 0.000 0.304 253 G HA3 0.498 4.458 3.960 -0.000 0.000 0.304 253 G C -1.740 173.302 174.900 0.236 0.000 1.303 253 G CA -0.738 44.254 45.100 -0.181 0.000 0.825 253 G HN 0.871 nan 8.290 nan 0.000 0.484 254 E N -0.596 119.875 120.200 0.453 0.000 2.231 254 E HA 0.491 4.841 4.350 -0.000 0.000 0.277 254 E C -0.782 176.011 176.600 0.321 0.000 0.999 254 E CA -0.703 55.897 56.400 0.333 0.000 0.827 254 E CB 2.796 32.602 29.700 0.177 0.000 1.101 254 E HN 0.162 nan 8.360 nan 0.000 0.393 255 V N 4.924 124.877 119.914 0.066 0.000 2.333 255 V HA 0.261 4.381 4.120 -0.000 0.000 0.274 255 V C -0.057 175.959 176.094 -0.130 0.000 1.028 255 V CA -0.243 62.012 62.300 -0.075 0.000 0.851 255 V CB 0.166 31.818 31.823 -0.285 0.000 1.000 255 V HN 0.468 nan 8.190 nan 0.000 0.456 256 L N 3.070 124.278 121.223 -0.024 0.000 2.319 256 L HA 0.611 4.951 4.340 -0.000 0.000 0.267 256 L C -0.149 176.690 176.870 -0.052 0.000 1.011 256 L CA -0.861 53.958 54.840 -0.035 0.000 0.818 256 L CB 2.027 44.101 42.059 0.025 0.000 1.316 256 L HN 0.435 nan 8.230 nan 0.000 0.432 257 D N 1.011 121.368 120.400 -0.071 0.000 2.325 257 D HA 0.072 4.712 4.640 -0.000 0.000 0.251 257 D C 1.081 177.358 176.300 -0.039 0.000 1.196 257 D CA -0.249 53.703 54.000 -0.080 0.000 0.866 257 D CB 1.093 41.850 40.800 -0.073 0.000 1.101 257 D HN 0.495 nan 8.370 nan 0.000 0.476 258 R N 2.991 123.474 120.500 -0.028 0.000 2.189 258 R HA 0.051 4.391 4.340 -0.000 0.000 0.223 258 R C 1.167 177.466 176.300 -0.001 0.000 1.092 258 R CA 1.051 57.164 56.100 0.021 0.000 0.989 258 R CB 0.188 30.503 30.300 0.026 0.000 0.876 258 R HN 0.495 nan 8.270 nan 0.000 0.457 259 G N 1.261 110.050 108.800 -0.019 0.000 3.505 259 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.210 259 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.210 259 G C -0.309 174.585 174.900 -0.010 0.000 1.047 259 G CA 0.085 45.177 45.100 -0.014 0.000 0.884 259 G HN 0.443 nan 8.290 nan 0.000 0.434 260 D N 0.894 121.288 120.400 -0.010 0.000 2.738 260 D HA 0.320 4.960 4.640 -0.000 0.000 0.246 260 D C 0.671 176.979 176.300 0.014 0.000 1.270 260 D CA -0.414 53.589 54.000 0.005 0.000 0.833 260 D CB -0.102 40.706 40.800 0.012 0.000 1.040 260 D HN 0.458 nan 8.370 nan 0.000 0.487 261 K N -0.752 119.645 120.400 -0.004 0.000 3.071 261 K HA -0.126 4.194 4.320 -0.000 0.000 0.265 261 K C -0.889 175.676 176.600 -0.058 0.000 1.060 261 K CA 0.474 56.763 56.287 0.004 0.000 0.767 261 K CB -1.438 31.109 32.500 0.078 0.000 1.241 261 K HN 0.236 nan 8.250 nan 0.000 0.486 262 V N 0.449 120.248 119.914 -0.191 0.000 2.588 262 V HA 0.349 4.469 4.120 -0.000 0.000 0.304 262 V C -2.171 173.625 176.094 -0.496 0.000 1.042 262 V CA -1.922 60.105 62.300 -0.454 0.000 0.877 262 V CB 1.920 33.632 31.823 -0.185 0.000 0.996 262 V HN -0.032 nan 8.190 nan 0.000 0.425 263 P HA 0.392 nan 4.420 nan 0.000 0.275 263 P C -0.555 176.600 177.300 -0.242 0.000 1.227 263 P CA 0.043 62.899 63.100 -0.407 0.000 0.781 263 P CB 0.992 32.492 31.700 -0.332 0.000 0.906 264 S N 1.763 117.379 115.700 -0.141 0.000 2.709 264 S HA 0.724 5.194 4.470 -0.000 0.000 0.302 264 S C -0.396 174.121 174.600 -0.138 0.000 1.127 264 S CA -0.666 57.456 58.200 -0.129 0.000 0.905 264 S CB 1.103 64.286 63.200 -0.028 0.000 1.151 264 S HN 0.354 nan 8.310 nan 0.000 0.510 265 M N 1.818 121.248 119.600 -0.285 0.000 2.327 265 M HA 0.505 4.985 4.480 -0.000 0.000 0.298 265 M C -1.892 174.201 176.300 -0.345 0.000 1.065 265 M CA -0.088 55.040 55.300 -0.286 0.000 0.916 265 M CB 1.635 33.870 32.600 -0.607 0.000 1.630 265 M HN 0.504 nan 8.290 nan 0.000 0.442 266 F N 2.851 122.893 119.950 0.153 0.000 2.500 266 F HA 0.485 5.012 4.527 0.000 0.000 0.349 266 F C 0.028 176.024 175.800 0.327 0.000 1.127 266 F CA -0.741 57.367 58.000 0.181 0.000 0.998 266 F CB 1.695 40.757 39.000 0.102 0.000 1.237 266 F HN 0.513 nan 8.300 nan 0.000 0.439 267 M N 2.799 122.643 119.600 0.406 0.000 2.249 267 M HA 0.141 4.621 4.480 -0.000 0.000 0.340 267 M C 0.972 177.390 176.300 0.197 0.000 1.166 267 M CA 1.013 56.486 55.300 0.289 0.000 1.115 267 M CB 0.588 33.305 32.600 0.195 0.000 1.606 267 M HN 0.778 nan 8.290 nan 0.000 0.448 268 T N -0.172 114.448 114.554 0.110 0.000 3.010 268 T HA 0.345 4.694 4.350 -0.000 0.000 0.253 268 T C 0.106 174.846 174.700 0.067 0.000 0.939 268 T CA -0.398 61.761 62.100 0.099 0.000 0.910 268 T CB 0.047 68.978 68.868 0.105 0.000 1.226 268 T HN 0.603 nan 8.240 nan 0.000 0.508 269 N N 0.612 119.338 118.700 0.044 0.000 2.425 269 N HA 0.520 5.260 4.740 -0.000 0.000 0.289 269 N C -2.036 173.512 175.510 0.064 0.000 1.074 269 N CA -0.265 52.816 53.050 0.052 0.000 0.905 269 N CB 2.536 41.044 38.487 0.035 0.000 1.586 269 N HN 0.115 nan 8.380 nan 0.000 0.490 270 V N 3.244 123.213 119.914 0.092 0.000 2.531 270 V HA 0.521 4.641 4.120 -0.000 0.000 0.301 270 V C -0.819 175.380 176.094 0.176 0.000 1.034 270 V CA -0.787 61.580 62.300 0.112 0.000 0.865 270 V CB 1.841 33.706 31.823 0.069 0.000 0.995 270 V HN 0.671 nan 8.190 nan 0.000 0.424 271 W N 3.570 124.873 121.300 0.005 0.000 2.689 271 W HA 0.758 5.417 4.660 -0.000 0.000 0.340 271 W C -0.415 176.105 176.519 0.002 0.000 1.060 271 W CA -0.166 57.183 57.345 0.007 0.000 1.218 271 W CB 2.106 31.576 29.460 0.017 0.000 1.410 271 W HN 0.507 nan 8.180 nan 0.000 0.528 272 T N 6.694 120.725 114.554 -0.873 0.000 2.991 272 T HA 0.335 4.685 4.350 -0.000 0.000 0.303 272 T C -2.583 171.357 174.700 -1.266 0.000 1.015 272 T CA -0.953 60.663 62.100 -0.807 0.000 1.007 272 T CB 1.677 70.317 68.868 -0.380 0.000 1.034 272 T HN 0.140 nan 8.240 nan 0.000 0.446 273 P HA 0.317 nan 4.420 nan 0.000 0.274 273 P C -1.913 175.141 177.300 -0.409 0.000 1.246 273 P CA -1.355 61.272 63.100 -0.788 0.000 0.795 273 P CB 0.228 31.681 31.700 -0.410 0.000 1.006 274 P HA -0.059 nan 4.420 nan 0.000 0.216 274 P C 0.215 177.443 177.300 -0.121 0.000 1.153 274 P CA 1.434 64.431 63.100 -0.171 0.000 0.844 274 P CB 0.107 31.732 31.700 -0.125 0.000 0.787 275 N N -0.564 118.073 118.700 -0.105 0.000 2.444 275 N HA 0.156 4.895 4.740 -0.000 0.000 0.262 275 N C -2.020 173.441 175.510 -0.082 0.000 0.974 275 N CA -2.260 50.748 53.050 -0.070 0.000 0.933 275 N CB 1.397 39.861 38.487 -0.037 0.000 1.137 275 N HN -0.164 nan 8.380 nan 0.000 0.498 276 P HA -0.036 nan 4.420 nan 0.000 0.221 276 P C 0.992 178.268 177.300 -0.040 0.000 1.150 276 P CA 0.865 63.935 63.100 -0.049 0.000 0.800 276 P CB 0.207 31.894 31.700 -0.021 0.000 0.787 277 S N -1.334 114.343 115.700 -0.039 0.000 2.522 277 S HA -0.057 4.413 4.470 -0.000 0.000 0.227 277 S C 1.688 176.190 174.600 -0.163 0.000 0.986 277 S CA 1.209 59.393 58.200 -0.026 0.000 0.929 277 S CB -1.686 61.525 63.200 0.018 0.000 0.769 277 S HN 0.302 nan 8.310 nan 0.000 0.529 278 T N -0.653 113.762 114.554 -0.233 0.000 3.067 278 T HA 0.349 4.699 4.350 -0.000 0.000 0.257 278 T C 0.655 175.068 174.700 -0.478 0.000 1.105 278 T CA -0.210 61.665 62.100 -0.375 0.000 1.104 278 T CB -0.328 68.341 68.868 -0.331 0.000 0.925 278 T HN 0.248 nan 8.240 nan 0.000 0.498 279 I N 3.111 123.465 120.570 -0.361 0.000 2.342 279 I HA 0.397 4.567 4.170 -0.000 0.000 0.291 279 I C -0.277 175.672 176.117 -0.280 0.000 1.010 279 I CA -0.376 60.803 61.300 -0.201 0.000 1.308 279 I CB 0.445 38.469 38.000 0.039 0.000 1.400 279 I HN 0.326 nan 8.210 nan 0.000 0.488 280 H N 5.257 124.340 119.070 0.022 0.000 2.895 280 H HA 0.368 4.924 4.556 -0.000 0.000 0.373 280 H C -0.001 175.339 175.328 0.020 0.000 1.174 280 H CA -0.582 55.427 56.048 -0.065 0.000 1.144 280 H CB 1.432 31.132 29.762 -0.103 0.000 1.793 280 H HN 0.513 nan 8.280 nan 0.000 0.551 281 H N -1.076 118.101 119.070 0.178 0.000 2.820 281 H HA -0.168 4.388 4.556 -0.000 0.000 0.295 281 H C 0.017 175.419 175.328 0.123 0.000 1.187 281 H CA 0.576 56.709 56.048 0.141 0.000 1.144 281 H CB -1.824 28.017 29.762 0.131 0.000 1.354 281 H HN 0.458 nan 8.280 nan 0.000 0.395 282 c N 0.893 119.594 118.600 0.167 0.000 2.597 282 c HA 0.268 4.838 4.570 -0.000 0.000 0.412 282 c C 1.418 175.607 174.090 0.166 0.000 1.348 282 c CA 0.518 56.931 56.329 0.139 0.000 1.769 282 c CB 0.642 43.216 42.510 0.106 0.000 2.641 282 c HN 0.619 nan 8.230 nan 0.000 0.612 283 S N 1.422 117.246 115.700 0.207 0.000 2.548 283 S HA 0.662 5.132 4.470 -0.000 0.000 0.276 283 S C -0.785 174.094 174.600 0.465 0.000 1.129 283 S CA -0.367 58.027 58.200 0.323 0.000 0.931 283 S CB 1.303 64.759 63.200 0.427 0.000 1.068 283 S HN 0.816 nan 8.310 nan 0.000 0.480 284 S N 2.218 118.169 115.700 0.418 0.000 2.513 284 S HA 0.795 5.265 4.470 -0.000 0.000 0.299 284 S C -1.140 173.712 174.600 0.420 0.000 1.087 284 S CA -0.653 57.832 58.200 0.475 0.000 1.012 284 S CB 1.896 65.281 63.200 0.307 0.000 1.044 284 S HN 0.719 nan 8.310 nan 0.000 0.485 285 T N 2.473 117.277 114.554 0.416 0.000 2.991 285 T HA 0.327 4.677 4.350 -0.000 0.000 0.303 285 T C -1.385 173.421 174.700 0.176 0.000 1.015 285 T CA -0.483 61.706 62.100 0.150 0.000 1.007 285 T CB 0.770 69.400 68.868 -0.397 0.000 1.034 285 T HN 0.545 nan 8.240 nan 0.000 0.446 286 Y N 3.970 124.136 120.300 -0.223 0.000 2.319 286 Y HA 0.354 4.904 4.550 -0.000 0.000 0.328 286 Y C 1.020 176.883 175.900 -0.062 0.000 1.133 286 Y CA 0.246 58.045 58.100 -0.501 0.000 1.265 286 Y CB 0.534 38.535 38.460 -0.766 0.000 1.218 286 Y HN 0.873 nan 8.280 nan 0.000 0.508 287 H N 3.608 122.253 119.070 -0.709 0.000 2.534 287 H HA 0.255 4.810 4.556 -0.000 0.000 0.201 287 H C -0.803 174.031 175.328 -0.824 0.000 1.042 287 H CA 0.460 56.186 56.048 -0.537 0.000 1.315 287 H CB 0.778 30.388 29.762 -0.253 0.000 1.268 287 H HN 0.662 nan 8.280 nan 0.000 0.474 288 E N 0.689 120.476 120.200 -0.688 0.000 2.349 288 E HA 0.145 4.495 4.350 -0.000 0.000 0.290 288 E C -1.085 175.192 176.600 -0.539 0.000 0.901 288 E CA 0.033 56.060 56.400 -0.622 0.000 0.800 288 E CB 1.547 30.947 29.700 -0.501 0.000 1.303 288 E HN 0.545 nan 8.360 nan 0.000 0.397 289 D N 1.405 121.453 120.400 -0.588 0.000 2.332 289 D HA -0.208 4.431 4.640 -0.000 0.000 0.166 289 D C -0.514 175.249 176.300 -0.895 0.000 1.574 289 D CA 2.277 55.806 54.000 -0.784 0.000 1.598 289 D CB -1.011 39.168 40.800 -1.036 0.000 1.354 289 D HN 0.380 nan 8.370 nan 0.000 0.481 290 F N -0.901 118.842 119.950 -0.345 0.000 2.538 290 F HA 0.590 5.117 4.527 -0.000 0.000 0.325 290 F C -0.228 175.424 175.800 -0.246 0.000 1.066 290 F CA -0.916 56.874 58.000 -0.350 0.000 0.946 290 F CB 1.028 39.667 39.000 -0.602 0.000 1.199 290 F HN -0.257 nan 8.300 nan 0.000 0.473 291 Y N 1.361 121.707 120.300 0.078 0.000 2.369 291 Y HA 0.349 4.899 4.550 -0.000 0.000 0.337 291 Y C -0.930 175.034 175.900 0.107 0.000 0.961 291 Y CA -0.660 57.544 58.100 0.173 0.000 1.186 291 Y CB 0.557 39.100 38.460 0.138 0.000 1.139 291 Y HN 0.433 nan 8.280 nan 0.000 0.494 292 Y N 2.598 123.065 120.300 0.279 0.000 2.504 292 Y HA 0.170 4.720 4.550 -0.000 0.000 0.351 292 Y C 0.764 176.913 175.900 0.416 0.000 0.988 292 Y CA -0.317 57.946 58.100 0.272 0.000 1.239 292 Y CB 0.915 39.569 38.460 0.324 0.000 1.128 292 Y HN 0.382 nan 8.280 nan 0.000 0.525 293 T N 5.618 120.365 114.554 0.323 0.000 2.758 293 T HA 0.424 4.774 4.350 -0.000 0.000 0.285 293 T C -1.064 173.657 174.700 0.035 0.000 0.981 293 T CA -0.743 61.517 62.100 0.268 0.000 0.965 293 T CB 0.207 69.156 68.868 0.134 0.000 0.927 293 T HN 0.481 nan 8.240 nan 0.000 0.448 294 L N 6.823 127.982 121.223 -0.106 0.000 2.265 294 L HA 0.641 4.981 4.340 -0.000 0.000 0.289 294 L C -0.710 176.080 176.870 -0.133 0.000 1.033 294 L CA -0.226 54.407 54.840 -0.345 0.000 0.814 294 L CB 0.069 41.611 42.059 -0.861 0.000 1.203 294 L HN 0.811 nan 8.230 nan 0.000 0.423 295 c N 3.355 121.905 118.600 -0.084 0.000 2.595 295 c HA 0.906 5.476 4.570 -0.000 0.000 0.338 295 c C 0.567 174.688 174.090 0.052 0.000 1.219 295 c CA -0.887 55.459 56.329 0.027 0.000 1.811 295 c CB 1.233 43.784 42.510 0.067 0.000 2.313 295 c HN 0.963 nan 8.230 nan 0.000 0.499 296 A N 0.928 123.825 122.820 0.128 0.000 2.302 296 A HA 0.699 5.019 4.320 -0.000 0.000 0.285 296 A C -0.655 177.036 177.584 0.178 0.000 1.105 296 A CA -0.208 51.948 52.037 0.197 0.000 0.816 296 A CB 0.344 19.450 19.000 0.176 0.000 1.067 296 A HN 0.742 nan 8.150 nan 0.000 0.489 297 V N 1.534 121.601 119.914 0.256 0.000 2.417 297 V HA 0.655 4.775 4.120 -0.000 0.000 0.291 297 V C 0.197 176.475 176.094 0.307 0.000 1.024 297 V CA -0.149 62.248 62.300 0.162 0.000 0.861 297 V CB 1.398 33.301 31.823 0.133 0.000 0.985 297 V HN 0.983 nan 8.190 nan 0.000 0.436 298 S N 2.539 118.291 115.700 0.087 0.000 2.540 298 S HA 0.588 5.058 4.470 -0.000 0.000 0.275 298 S C -0.400 174.143 174.600 -0.094 0.000 1.123 298 S CA -0.522 57.815 58.200 0.229 0.000 0.907 298 S CB 1.301 64.703 63.200 0.338 0.000 1.081 298 S HN 0.827 nan 8.310 nan 0.000 0.476 299 H N 1.868 121.051 119.070 0.190 0.000 2.592 299 H HA 0.273 4.828 4.556 -0.000 0.000 0.279 299 H C 0.899 176.306 175.328 0.132 0.000 1.089 299 H CA 0.554 56.675 56.048 0.120 0.000 1.150 299 H CB 0.807 30.615 29.762 0.077 0.000 1.575 299 H HN 0.396 nan 8.280 nan 0.000 0.547 300 V N -3.262 116.805 119.914 0.255 0.000 3.166 300 V HA 0.651 4.771 4.120 -0.000 0.000 0.332 300 V C 0.988 177.184 176.094 0.170 0.000 1.434 300 V CA 0.103 62.523 62.300 0.200 0.000 1.121 300 V CB -0.049 31.897 31.823 0.206 0.000 1.062 300 V HN 0.471 nan 8.190 nan 0.000 0.489 301 G N 1.079 110.003 108.800 0.207 0.000 2.584 301 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.229 301 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.229 301 G C -0.457 174.466 174.900 0.038 0.000 1.320 301 G CA 0.119 45.327 45.100 0.179 0.000 0.891 301 G HN 0.702 nan 8.290 nan 0.000 0.573 302 D N 1.421 121.696 120.400 -0.208 0.000 2.426 302 D HA 0.278 4.918 4.640 -0.000 0.000 0.261 302 D C -0.490 175.737 176.300 -0.121 0.000 1.245 302 D CA -1.075 52.759 54.000 -0.276 0.000 0.917 302 D CB 0.952 41.657 40.800 -0.159 0.000 1.123 302 D HN 0.035 nan 8.370 nan 0.000 0.508 303 P HA -0.149 nan 4.420 nan 0.000 0.218 303 P C 1.655 178.893 177.300 -0.103 0.000 1.146 303 P CA 0.525 63.374 63.100 -0.418 0.000 0.813 303 P CB 0.285 31.225 31.700 -1.267 0.000 0.778 304 I N -1.294 119.250 120.570 -0.044 0.000 2.226 304 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 304 I C 2.044 178.170 176.117 0.015 0.000 1.100 304 I CA 1.652 62.951 61.300 -0.002 0.000 1.374 304 I CB -1.264 36.739 38.000 0.005 0.000 1.057 304 I HN 0.033 nan 8.210 nan 0.000 0.413 305 L N -0.258 120.991 121.223 0.043 0.000 2.558 305 L HA 0.050 4.390 4.340 -0.000 0.000 0.225 305 L C 0.582 177.484 176.870 0.052 0.000 1.128 305 L CA 0.382 55.250 54.840 0.046 0.000 0.868 305 L CB -0.269 41.838 42.059 0.079 0.000 1.006 305 L HN 0.212 nan 8.230 nan 0.000 0.454 306 N N -1.023 117.715 118.700 0.063 0.000 2.664 306 N HA 0.113 4.853 4.740 -0.000 0.000 0.287 306 N C 0.624 176.210 175.510 0.127 0.000 1.869 306 N CA 0.031 53.134 53.050 0.089 0.000 0.832 306 N CB 0.639 39.181 38.487 0.091 0.000 1.293 306 N HN -0.176 nan 8.380 nan 0.000 0.498 307 S N -1.050 114.745 115.700 0.158 0.000 2.348 307 S HA -0.158 4.312 4.470 -0.000 0.000 0.221 307 S C 2.044 176.780 174.600 0.226 0.000 1.033 307 S CA 2.163 60.477 58.200 0.190 0.000 1.010 307 S CB -0.320 63.131 63.200 0.419 0.000 0.891 307 S HN 0.717 nan 8.310 nan 0.000 0.442 308 T N 0.534 115.230 114.554 0.238 0.000 2.788 308 T HA -0.045 4.305 4.350 -0.000 0.000 0.268 308 T C 1.866 176.602 174.700 0.059 0.000 1.044 308 T CA 1.670 63.836 62.100 0.110 0.000 1.139 308 T CB -0.543 68.269 68.868 -0.093 0.000 0.867 308 T HN 0.259 nan 8.240 nan 0.000 0.454 309 S N -0.030 115.720 115.700 0.083 0.000 2.414 309 S HA 0.069 4.539 4.470 -0.000 0.000 0.227 309 S C 0.354 175.019 174.600 0.108 0.000 1.022 309 S CA -0.049 58.197 58.200 0.077 0.000 0.958 309 S CB -0.497 62.758 63.200 0.091 0.000 0.797 309 S HN 0.759 nan 8.310 nan 0.000 0.493 310 W N 4.269 125.535 121.300 -0.056 0.000 2.655 310 W HA 0.267 4.926 4.660 -0.000 0.000 0.333 310 W C 0.381 176.831 176.519 -0.114 0.000 1.382 310 W CA -0.342 56.956 57.345 -0.078 0.000 1.398 310 W CB -0.360 29.020 29.460 -0.133 0.000 1.481 310 W HN -0.111 nan 8.180 nan 0.000 0.526 311 T N 6.049 120.331 114.554 -0.455 0.000 2.779 311 T HA 0.001 4.351 4.350 -0.000 0.000 0.296 311 T C 0.131 174.120 174.700 -1.185 0.000 0.938 311 T CA -0.447 61.290 62.100 -0.606 0.000 1.119 311 T CB 0.180 68.860 68.868 -0.313 0.000 0.891 311 T HN 0.535 nan 8.240 nan 0.000 0.526 312 E N 4.014 123.458 120.200 -1.259 0.000 2.383 312 E HA 0.087 4.437 4.350 -0.000 0.000 0.257 312 E C -0.806 175.341 176.600 -0.755 0.000 1.079 312 E CA 0.106 55.578 56.400 -1.547 0.000 0.934 312 E CB 0.133 29.315 29.700 -0.863 0.000 0.978 312 E HN 0.544 nan 8.360 nan 0.000 0.462 313 S N 5.311 120.710 115.700 -0.502 0.000 2.647 313 S HA 0.507 4.977 4.470 -0.000 0.000 0.300 313 S C -0.921 173.743 174.600 0.107 0.000 1.129 313 S CA -0.741 57.398 58.200 -0.102 0.000 1.029 313 S CB 0.521 63.702 63.200 -0.032 0.000 1.007 313 S HN 0.491 nan 8.310 nan 0.000 0.484 314 L N 3.544 124.782 121.223 0.025 0.000 2.341 314 L HA 0.828 5.168 4.340 -0.000 0.000 0.267 314 L C -0.227 176.591 176.870 -0.088 0.000 1.009 314 L CA -0.723 54.124 54.840 0.012 0.000 0.819 314 L CB 2.351 44.395 42.059 -0.025 0.000 1.323 314 L HN 0.781 nan 8.230 nan 0.000 0.425 315 S N 1.696 117.309 115.700 -0.144 0.000 2.596 315 S HA 0.699 5.168 4.470 -0.000 0.000 0.270 315 S C -1.617 172.758 174.600 -0.374 0.000 1.155 315 S CA -0.833 57.176 58.200 -0.318 0.000 0.827 315 S CB 2.301 65.262 63.200 -0.397 0.000 1.130 315 S HN 0.416 nan 8.310 nan 0.000 0.467 316 L N 1.777 122.688 121.223 -0.519 0.000 2.381 316 L HA 0.637 4.977 4.340 -0.000 0.000 0.274 316 L C -1.891 174.681 176.870 -0.497 0.000 0.988 316 L CA -0.843 53.745 54.840 -0.420 0.000 0.824 316 L CB 1.140 42.978 42.059 -0.367 0.000 1.263 316 L HN 0.848 nan 8.230 nan 0.000 0.410 317 I N 5.144 125.466 120.570 -0.414 0.000 2.328 317 I HA 0.410 4.580 4.170 -0.000 0.000 0.287 317 I C 0.412 176.318 176.117 -0.352 0.000 1.012 317 I CA -0.176 60.818 61.300 -0.510 0.000 1.195 317 I CB 1.083 38.618 38.000 -0.775 0.000 1.350 317 I HN 0.420 nan 8.210 nan 0.000 0.464 318 R N 7.249 127.511 120.500 -0.396 0.000 2.198 318 R HA 0.613 4.953 4.340 -0.000 0.000 0.339 318 R C -1.409 174.675 176.300 -0.359 0.000 1.020 318 R CA -0.452 55.361 56.100 -0.479 0.000 0.864 318 R CB 0.533 30.382 30.300 -0.751 0.000 1.105 318 R HN 0.630 nan 8.270 nan 0.000 0.463 319 L N 3.480 124.586 121.223 -0.196 0.000 2.329 319 L HA 0.550 4.890 4.340 -0.000 0.000 0.279 319 L C 0.044 176.923 176.870 0.014 0.000 1.014 319 L CA -1.042 53.753 54.840 -0.075 0.000 0.814 319 L CB 1.952 44.000 42.059 -0.019 0.000 1.257 319 L HN 0.656 nan 8.230 nan 0.000 0.424 320 A N 1.948 124.745 122.820 -0.039 0.000 2.366 320 A HA 0.378 4.698 4.320 -0.000 0.000 0.272 320 A C 0.976 178.473 177.584 -0.145 0.000 1.135 320 A CA -0.384 51.537 52.037 -0.193 0.000 0.804 320 A CB 0.922 19.598 19.000 -0.541 0.000 1.064 320 A HN 0.746 nan 8.150 nan 0.000 0.499 321 V N 0.623 120.406 119.914 -0.217 0.000 2.970 321 V HA 0.125 4.245 4.120 -0.000 0.000 0.260 321 V C 0.727 176.765 176.094 -0.094 0.000 1.100 321 V CA 1.061 63.244 62.300 -0.194 0.000 1.122 321 V CB -0.772 30.704 31.823 -0.577 0.000 0.721 321 V HN 0.689 nan 8.190 nan 0.000 0.483 322 R N 1.155 121.609 120.500 -0.077 0.000 2.607 322 R HA 0.439 4.779 4.340 -0.000 0.000 0.278 322 R C -2.924 173.451 176.300 0.125 0.000 1.637 322 R CA -1.691 54.440 56.100 0.051 0.000 1.325 322 R CB 1.397 31.741 30.300 0.075 0.000 1.211 322 R HN 0.312 nan 8.270 nan 0.000 0.565 323 P HA 0.046 nan 4.420 nan 0.000 0.268 323 P C -0.690 176.720 177.300 0.183 0.000 1.205 323 P CA -0.099 63.110 63.100 0.181 0.000 0.771 323 P CB 0.697 32.466 31.700 0.115 0.000 0.858 324 K N 1.140 121.675 120.400 0.225 0.000 2.292 324 K HA 0.418 4.738 4.320 -0.000 0.000 0.257 324 K C -0.162 176.482 176.600 0.073 0.000 0.940 324 K CA -0.487 55.847 56.287 0.078 0.000 0.811 324 K CB 1.054 33.504 32.500 -0.083 0.000 1.120 324 K HN 0.416 nan 8.250 nan 0.000 0.428 325 S N 1.632 117.356 115.700 0.040 0.000 2.585 325 S HA 0.162 4.632 4.470 -0.000 0.000 0.273 325 S C 0.131 174.745 174.600 0.023 0.000 1.339 325 S CA -0.388 57.834 58.200 0.038 0.000 1.028 325 S CB 0.577 63.794 63.200 0.027 0.000 0.906 325 S HN 0.733 nan 8.310 nan 0.000 0.528 326 D N 0.318 120.737 120.400 0.031 0.000 2.723 326 D HA -0.163 4.477 4.640 -0.000 0.000 0.236 326 D C 0.384 176.695 176.300 0.018 0.000 1.138 326 D CA 1.105 55.119 54.000 0.023 0.000 0.676 326 D CB -1.366 39.440 40.800 0.011 0.000 1.069 326 D HN 0.785 nan 8.370 nan 0.000 0.430 327 S N -2.192 113.531 115.700 0.039 0.000 2.561 327 S HA 0.870 5.340 4.470 -0.000 0.000 0.282 327 S C 1.142 175.787 174.600 0.075 0.000 1.123 327 S CA -0.005 58.222 58.200 0.045 0.000 1.011 327 S CB 1.771 65.006 63.200 0.060 0.000 1.244 327 S HN 0.218 nan 8.310 nan 0.000 0.503 328 G N -0.170 108.692 108.800 0.105 0.000 2.694 328 G HA2 0.252 4.212 3.960 -0.000 0.000 0.212 328 G HA3 0.252 4.212 3.960 -0.000 0.000 0.212 328 G C 0.058 175.024 174.900 0.111 0.000 2.030 328 G CA 0.014 45.169 45.100 0.092 0.000 0.731 328 G HN 0.577 nan 8.290 nan 0.000 0.795 329 D N -0.521 119.941 120.400 0.102 0.000 2.310 329 D HA -0.041 4.599 4.640 -0.000 0.000 0.212 329 D C 1.724 178.084 176.300 0.100 0.000 0.965 329 D CA 0.317 54.361 54.000 0.073 0.000 0.879 329 D CB -0.082 40.738 40.800 0.032 0.000 0.921 329 D HN 0.250 nan 8.370 nan 0.000 0.510 330 Y N 2.078 122.417 120.300 0.066 0.000 2.069 330 Y HA -0.340 4.210 4.550 0.000 0.000 0.278 330 Y C 1.862 177.863 175.900 0.168 0.000 1.175 330 Y CA 1.883 60.073 58.100 0.150 0.000 1.134 330 Y CB -0.266 38.272 38.460 0.130 0.000 0.965 330 Y HN -0.057 nan 8.280 nan 0.000 0.498 331 N N -0.042 118.740 118.700 0.136 0.000 2.062 331 N HA -0.103 4.637 4.740 -0.000 0.000 0.191 331 N C -0.207 175.293 175.510 -0.016 0.000 1.042 331 N CA 1.549 54.625 53.050 0.043 0.000 0.845 331 N CB -0.198 38.364 38.487 0.126 0.000 1.024 331 N HN 0.515 nan 8.380 nan 0.000 0.424 332 Q N -0.460 119.345 119.800 0.010 0.000 2.305 332 Q HA 0.451 4.791 4.340 -0.000 0.000 0.271 332 Q C -1.103 174.868 176.000 -0.049 0.000 1.046 332 Q CA -0.503 55.287 55.803 -0.023 0.000 0.798 332 Q CB 3.161 31.956 28.738 0.095 0.000 1.286 332 Q HN -0.037 nan 8.270 nan 0.000 0.435 333 K N 2.209 122.520 120.400 -0.148 0.000 2.535 333 K HA 0.350 4.670 4.320 -0.000 0.000 0.250 333 K C -2.090 174.419 176.600 -0.152 0.000 0.948 333 K CA -0.621 55.593 56.287 -0.122 0.000 0.796 333 K CB 1.605 33.997 32.500 -0.180 0.000 1.216 333 K HN 0.640 nan 8.250 nan 0.000 0.432 334 Y N 5.443 125.635 120.300 -0.181 0.000 2.331 334 Y HA 0.497 5.047 4.550 -0.000 0.000 0.338 334 Y C -1.125 174.696 175.900 -0.131 0.000 0.976 334 Y CA -0.654 57.325 58.100 -0.201 0.000 1.137 334 Y CB 0.774 39.179 38.460 -0.092 0.000 1.172 334 Y HN 0.453 nan 8.280 nan 0.000 0.478 335 I N 6.070 126.279 120.570 -0.601 0.000 2.418 335 I HA 0.527 4.697 4.170 -0.000 0.000 0.287 335 I C -0.462 175.328 176.117 -0.544 0.000 1.008 335 I CA -0.970 60.082 61.300 -0.413 0.000 1.104 335 I CB 1.812 39.637 38.000 -0.292 0.000 1.264 335 I HN 0.761 nan 8.210 nan 0.000 0.438 336 A N 7.657 130.297 122.820 -0.300 0.000 2.309 336 A HA 0.547 4.867 4.320 -0.000 0.000 0.290 336 A C -0.100 177.383 177.584 -0.168 0.000 1.206 336 A CA -0.407 51.511 52.037 -0.199 0.000 0.850 336 A CB 0.068 19.051 19.000 -0.028 0.000 1.118 336 A HN 0.546 nan 8.150 nan 0.000 0.523 337 I N 3.964 124.424 120.570 -0.184 0.000 2.436 337 I HA 0.092 4.262 4.170 -0.000 0.000 0.289 337 I C 1.077 177.128 176.117 -0.110 0.000 1.083 337 I CA 0.489 61.690 61.300 -0.165 0.000 1.372 337 I CB 0.278 38.165 38.000 -0.188 0.000 1.408 337 I HN 0.730 nan 8.210 nan 0.000 0.516 338 T N 5.263 119.764 114.554 -0.090 0.000 3.004 338 T HA 0.075 4.425 4.350 -0.000 0.000 0.243 338 T C 0.838 175.503 174.700 -0.059 0.000 1.020 338 T CA 0.356 62.416 62.100 -0.066 0.000 1.145 338 T CB 0.201 69.039 68.868 -0.049 0.000 0.876 338 T HN 0.412 nan 8.240 nan 0.000 0.449 339 K N 2.549 122.917 120.400 -0.054 0.000 2.273 339 K HA 0.492 4.812 4.320 -0.000 0.000 0.287 339 K C -1.341 175.240 176.600 -0.032 0.000 1.089 339 K CA -0.135 56.132 56.287 -0.034 0.000 0.909 339 K CB 1.099 33.587 32.500 -0.020 0.000 1.123 339 K HN 0.040 nan 8.250 nan 0.000 0.473 340 V N 2.765 122.666 119.914 -0.022 0.000 2.531 340 V HA 0.177 4.297 4.120 -0.000 0.000 0.301 340 V C -0.565 175.545 176.094 0.027 0.000 1.034 340 V CA -0.856 61.442 62.300 -0.004 0.000 0.865 340 V CB 1.682 33.493 31.823 -0.021 0.000 0.995 340 V HN 0.622 nan 8.190 nan 0.000 0.424 341 E N 4.048 124.284 120.200 0.060 0.000 2.073 341 E HA 0.433 4.783 4.350 -0.000 0.000 0.269 341 E C 0.660 177.346 176.600 0.144 0.000 0.917 341 E CA -0.421 56.031 56.400 0.087 0.000 0.757 341 E CB 0.692 30.443 29.700 0.084 0.000 1.111 341 E HN 0.654 nan 8.360 nan 0.000 0.410 342 R N 3.271 123.859 120.500 0.147 0.000 2.543 342 R HA 0.406 4.746 4.340 -0.000 0.000 0.323 342 R C 1.025 177.505 176.300 0.301 0.000 1.002 342 R CA 0.013 56.234 56.100 0.203 0.000 1.106 342 R CB 0.312 30.668 30.300 0.093 0.000 1.280 342 R HN 0.602 nan 8.270 nan 0.000 0.549 343 G N 3.389 112.340 108.800 0.252 0.000 2.565 343 G HA2 -0.468 3.492 3.960 -0.000 0.000 0.295 343 G HA3 -0.468 3.492 3.960 -0.000 0.000 0.295 343 G C 0.465 175.487 174.900 0.204 0.000 1.165 343 G CA 0.708 45.962 45.100 0.257 0.000 0.977 343 G HN 0.440 nan 8.290 nan 0.000 0.546 344 K N 0.017 120.544 120.400 0.212 0.000 2.358 344 K HA 0.382 4.702 4.320 -0.000 0.000 0.197 344 K C -0.002 176.553 176.600 -0.074 0.000 1.025 344 K CA -0.244 56.067 56.287 0.039 0.000 1.104 344 K CB 0.415 32.897 32.500 -0.031 0.000 0.855 344 K HN 0.433 nan 8.250 nan 0.000 0.531 345 Y N 2.074 122.425 120.300 0.086 0.000 2.309 345 Y HA 0.034 4.584 4.550 -0.000 0.000 0.327 345 Y C 1.090 177.002 175.900 0.021 0.000 1.172 345 Y CA -0.384 57.737 58.100 0.035 0.000 1.280 345 Y CB 1.125 39.516 38.460 -0.115 0.000 1.234 345 Y HN -0.036 nan 8.280 nan 0.000 0.512 346 D N 1.342 121.837 120.400 0.158 0.000 2.097 346 D HA -0.049 4.591 4.640 -0.000 0.000 0.197 346 D C -0.134 176.162 176.300 -0.006 0.000 0.984 346 D CA 1.656 55.715 54.000 0.097 0.000 0.826 346 D CB 0.247 41.165 40.800 0.197 0.000 0.973 346 D HN 0.472 nan 8.370 nan 0.000 0.460 347 K N -0.739 119.641 120.400 -0.034 0.000 2.435 347 K HA 0.565 4.885 4.320 -0.000 0.000 0.251 347 K C -1.101 175.526 176.600 0.044 0.000 0.954 347 K CA -0.908 55.318 56.287 -0.102 0.000 0.820 347 K CB 3.468 35.733 32.500 -0.391 0.000 1.292 347 K HN -0.153 nan 8.250 nan 0.000 0.436 348 V N -1.432 118.496 119.914 0.023 0.000 3.102 348 V HA 0.780 4.900 4.120 -0.000 0.000 0.312 348 V C -0.838 175.353 176.094 0.162 0.000 1.135 348 V CA -0.935 61.342 62.300 -0.039 0.000 1.022 348 V CB 2.060 33.712 31.823 -0.284 0.000 1.056 348 V HN 0.911 nan 8.190 nan 0.000 0.436 349 M N 2.740 122.417 119.600 0.128 0.000 2.490 349 M HA 0.537 5.017 4.480 -0.000 0.000 0.286 349 M C -3.169 173.199 176.300 0.112 0.000 1.185 349 M CA -1.383 53.993 55.300 0.127 0.000 0.912 349 M CB 3.068 35.686 32.600 0.030 0.000 1.744 349 M HN 0.649 nan 8.290 nan 0.000 0.494 350 P HA 0.093 nan 4.420 nan 0.000 0.271 350 P C -1.777 175.673 177.300 0.250 0.000 1.216 350 P CA 0.358 63.571 63.100 0.188 0.000 0.776 350 P CB 0.185 31.966 31.700 0.135 0.000 0.881 351 Y N 1.831 122.186 120.300 0.092 0.000 2.489 351 Y HA 0.477 5.027 4.550 -0.000 0.000 0.339 351 Y C -0.140 175.804 175.900 0.073 0.000 1.135 351 Y CA -0.309 57.806 58.100 0.026 0.000 1.321 351 Y CB 0.681 39.105 38.460 -0.060 0.000 1.098 351 Y HN 0.795 nan 8.280 nan 0.000 0.590 352 G N 3.121 111.980 108.800 0.098 0.000 2.339 352 G HA2 0.088 4.048 3.960 -0.000 0.000 0.302 352 G HA3 0.088 4.048 3.960 -0.000 0.000 0.302 352 G C -3.132 171.809 174.900 0.067 0.000 1.425 352 G CA -0.898 44.205 45.100 0.004 0.000 0.899 352 G HN 0.061 nan 8.290 nan 0.000 0.619 353 P HA 0.148 nan 4.420 nan 0.000 0.220 353 P C 0.739 178.140 177.300 0.169 0.000 1.154 353 P CA 1.352 64.493 63.100 0.069 0.000 0.830 353 P CB 0.353 32.071 31.700 0.031 0.000 0.803 354 S N -2.432 113.388 115.700 0.200 0.000 2.547 354 S HA 0.735 5.205 4.470 -0.000 0.000 0.270 354 S C -0.351 174.371 174.600 0.203 0.000 1.150 354 S CA -0.437 57.901 58.200 0.230 0.000 0.850 354 S CB 1.693 65.044 63.200 0.252 0.000 1.118 354 S HN 0.219 nan 8.310 nan 0.000 0.461 355 G N 0.456 109.333 108.800 0.129 0.000 3.211 355 G HA2 0.844 4.804 3.960 -0.000 0.000 0.262 355 G HA3 0.844 4.804 3.960 -0.000 0.000 0.262 355 G C -0.699 174.251 174.900 0.083 0.000 1.352 355 G CA -0.780 44.361 45.100 0.068 0.000 1.004 355 G HN 1.439 nan 8.290 nan 0.000 0.559 356 I N -2.621 117.995 120.570 0.077 0.000 3.108 356 I HA 0.755 4.925 4.170 -0.000 0.000 0.312 356 I C -0.785 175.395 176.117 0.105 0.000 1.095 356 I CA -1.305 60.064 61.300 0.116 0.000 1.000 356 I CB 2.655 40.734 38.000 0.132 0.000 1.229 356 I HN 0.566 nan 8.210 nan 0.000 0.454 357 K N 2.393 122.866 120.400 0.121 0.000 2.221 357 K HA 0.534 4.854 4.320 -0.000 0.000 0.258 357 K C -1.306 175.380 176.600 0.144 0.000 0.944 357 K CA -0.674 55.685 56.287 0.120 0.000 0.823 357 K CB 1.943 34.528 32.500 0.141 0.000 1.113 357 K HN 0.748 nan 8.250 nan 0.000 0.431 358 Q N 2.462 122.358 119.800 0.160 0.000 2.347 358 Q HA 0.257 4.597 4.340 -0.000 0.000 0.265 358 Q C 0.155 176.211 176.000 0.093 0.000 1.024 358 Q CA -0.312 55.572 55.803 0.134 0.000 0.731 358 Q CB 1.814 30.657 28.738 0.175 0.000 1.245 358 Q HN 1.097 nan 8.270 nan 0.000 0.472 359 G N 3.807 112.655 108.800 0.079 0.000 2.620 359 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.315 359 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.315 359 G C 0.092 175.054 174.900 0.103 0.000 1.179 359 G CA 0.751 45.893 45.100 0.069 0.000 0.971 359 G HN 0.635 nan 8.290 nan 0.000 0.544 360 D N 1.035 121.434 120.400 -0.002 0.000 2.538 360 D HA 0.423 5.063 4.640 -0.000 0.000 0.231 360 D C 0.120 176.212 176.300 -0.347 0.000 1.229 360 D CA 0.443 54.339 54.000 -0.173 0.000 0.828 360 D CB 0.701 41.408 40.800 -0.154 0.000 1.035 360 D HN 0.359 nan 8.370 nan 0.000 0.495 361 T N 0.997 115.413 114.554 -0.230 0.000 2.758 361 T HA 0.441 4.791 4.350 -0.000 0.000 0.285 361 T C 0.159 174.653 174.700 -0.344 0.000 0.981 361 T CA -0.498 61.408 62.100 -0.323 0.000 0.965 361 T CB 1.093 69.825 68.868 -0.227 0.000 0.927 361 T HN -0.042 nan 8.240 nan 0.000 0.448 362 L N 3.766 124.729 121.223 -0.434 0.000 2.307 362 L HA 0.499 4.839 4.340 -0.000 0.000 0.282 362 L C -0.941 175.727 176.870 -0.336 0.000 1.051 362 L CA -0.921 53.736 54.840 -0.304 0.000 0.804 362 L CB 0.703 42.632 42.059 -0.217 0.000 1.197 362 L HN 0.646 nan 8.230 nan 0.000 0.431 363 Y N 2.539 122.791 120.300 -0.080 0.000 2.376 363 Y HA 0.422 4.972 4.550 -0.000 0.000 0.326 363 Y C -0.365 175.512 175.900 -0.039 0.000 0.970 363 Y CA -0.460 57.658 58.100 0.030 0.000 1.248 363 Y CB 1.052 39.535 38.460 0.040 0.000 1.117 363 Y HN 0.297 nan 8.280 nan 0.000 0.476 364 F N 5.324 125.424 119.950 0.250 0.000 2.385 364 F HA 0.459 4.986 4.527 -0.000 0.000 0.336 364 F C -1.957 173.993 175.800 0.250 0.000 1.100 364 F CA -2.552 55.587 58.000 0.232 0.000 1.116 364 F CB 0.957 40.072 39.000 0.191 0.000 1.166 364 F HN 0.277 nan 8.300 nan 0.000 0.511 365 P HA 0.321 nan 4.420 nan 0.000 0.271 365 P C -1.087 176.430 177.300 0.361 0.000 1.216 365 P CA 0.056 63.365 63.100 0.347 0.000 0.776 365 P CB 1.421 33.260 31.700 0.232 0.000 0.881 366 A N 2.299 125.337 122.820 0.363 0.000 2.568 366 A HA 0.729 5.049 4.320 -0.000 0.000 0.291 366 A C -1.515 176.299 177.584 0.383 0.000 1.159 366 A CA -0.630 51.630 52.037 0.372 0.000 0.679 366 A CB 1.693 20.944 19.000 0.417 0.000 1.285 366 A HN 0.429 nan 8.150 nan 0.000 0.428 367 V N -0.477 119.601 119.914 0.272 0.000 2.888 367 V HA 0.792 4.912 4.120 -0.000 0.000 0.309 367 V C 0.001 175.959 176.094 -0.226 0.000 1.114 367 V CA 0.410 62.756 62.300 0.078 0.000 0.940 367 V CB 2.001 33.719 31.823 -0.176 0.000 1.021 367 V HN 1.840 nan 8.190 nan 0.000 0.426 368 G N 4.318 112.852 108.800 -0.443 0.000 2.388 368 G HA2 0.647 4.607 3.960 -0.000 0.000 0.330 368 G HA3 0.647 4.607 3.960 -0.000 0.000 0.330 368 G C -1.177 173.601 174.900 -0.203 0.000 1.142 368 G CA -0.533 44.119 45.100 -0.747 0.000 0.908 368 G HN 0.590 nan 8.290 nan 0.000 0.473 369 F N 1.303 121.181 119.950 -0.119 0.000 2.391 369 F HA 0.451 4.978 4.527 -0.000 0.000 0.359 369 F C 0.109 175.985 175.800 0.127 0.000 1.122 369 F CA -0.788 57.138 58.000 -0.124 0.000 1.120 369 F CB 1.855 40.505 39.000 -0.583 0.000 1.142 369 F HN 0.220 nan 8.300 nan 0.000 0.483 370 L N 7.089 128.538 121.223 0.377 0.000 2.362 370 L HA 0.654 4.994 4.340 -0.000 0.000 0.275 370 L C -2.648 174.431 176.870 0.349 0.000 0.998 370 L CA -2.621 52.378 54.840 0.265 0.000 0.820 370 L CB 1.651 43.732 42.059 0.037 0.000 1.270 370 L HN 0.180 nan 8.230 nan 0.000 0.415 371 P HA 0.177 nan 4.420 nan 0.000 0.265 371 P C 0.155 177.470 177.300 0.024 0.000 1.193 371 P CA 0.033 63.189 63.100 0.094 0.000 0.765 371 P CB 0.540 32.260 31.700 0.033 0.000 0.823 372 R N 1.437 121.887 120.500 -0.083 0.000 2.117 372 R HA -0.153 4.187 4.340 -0.000 0.000 0.243 372 R C 1.977 178.310 176.300 0.056 0.000 1.143 372 R CA 2.395 58.485 56.100 -0.018 0.000 0.968 372 R CB -1.100 29.148 30.300 -0.087 0.000 0.863 372 R HN 0.639 nan 8.270 nan 0.000 0.444 373 T N -1.635 112.902 114.554 -0.029 0.000 2.867 373 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 373 T C 1.446 176.167 174.700 0.037 0.000 1.057 373 T CA 1.089 63.185 62.100 -0.006 0.000 1.136 373 T CB -0.058 68.778 68.868 -0.052 0.000 0.874 373 T HN 0.365 nan 8.240 nan 0.000 0.466 374 E N 0.070 120.302 120.200 0.054 0.000 2.478 374 E HA 0.179 4.529 4.350 -0.000 0.000 0.194 374 E C -0.190 176.478 176.600 0.113 0.000 1.045 374 E CA -0.394 56.041 56.400 0.059 0.000 0.868 374 E CB -0.019 29.704 29.700 0.038 0.000 0.885 374 E HN 0.517 nan 8.360 nan 0.000 0.505 375 F N 2.770 122.719 119.950 -0.002 0.000 2.487 375 F HA 0.088 4.615 4.527 -0.000 0.000 0.364 375 F C 0.130 175.973 175.800 0.072 0.000 1.126 375 F CA -0.557 57.462 58.000 0.031 0.000 1.135 375 F CB 0.303 39.325 39.000 0.036 0.000 1.127 375 F HN -0.246 nan 8.300 nan 0.000 0.559 376 Q N 5.986 125.581 119.800 -0.340 0.000 2.323 376 Q HA 0.280 4.620 4.340 -0.000 0.000 0.257 376 Q C -1.717 173.990 176.000 -0.489 0.000 1.022 376 Q CA 0.337 55.957 55.803 -0.305 0.000 0.919 376 Q CB 0.358 29.005 28.738 -0.152 0.000 1.220 376 Q HN 0.677 nan 8.270 nan 0.000 0.427 377 Y N 2.423 122.428 120.300 -0.491 0.000 2.424 377 Y HA 0.336 4.886 4.550 -0.000 0.000 0.323 377 Y C -1.300 174.507 175.900 -0.154 0.000 1.174 377 Y CA -0.908 56.962 58.100 -0.383 0.000 1.060 377 Y CB 1.451 39.587 38.460 -0.541 0.000 1.314 377 Y HN 0.524 nan 8.280 nan 0.000 0.439 378 N N 5.083 123.493 118.700 -0.483 0.000 2.419 378 N HA 0.083 4.822 4.740 -0.000 0.000 0.264 378 N C -0.193 175.191 175.510 -0.210 0.000 1.031 378 N CA -0.065 52.826 53.050 -0.266 0.000 0.951 378 N CB 1.519 39.859 38.487 -0.246 0.000 1.101 378 N HN 0.798 nan 8.380 nan 0.000 0.488 379 D N 0.465 120.901 120.400 0.060 0.000 2.309 379 D HA -0.117 4.523 4.640 -0.000 0.000 0.212 379 D C 1.532 177.868 176.300 0.060 0.000 0.968 379 D CA 1.071 55.165 54.000 0.157 0.000 0.882 379 D CB 0.135 41.006 40.800 0.118 0.000 0.918 379 D HN 0.510 nan 8.370 nan 0.000 0.503 380 S N 0.261 115.950 115.700 -0.018 0.000 2.423 380 S HA -0.098 4.372 4.470 -0.000 0.000 0.231 380 S C 1.485 176.063 174.600 -0.037 0.000 1.014 380 S CA 0.502 58.683 58.200 -0.032 0.000 0.965 380 S CB -0.159 63.013 63.200 -0.047 0.000 0.785 380 S HN 0.179 nan 8.310 nan 0.000 0.495 381 N N 0.744 119.398 118.700 -0.077 0.000 2.521 381 N HA 0.077 4.817 4.740 -0.000 0.000 0.188 381 N C -0.066 175.490 175.510 0.077 0.000 1.146 381 N CA 0.152 53.170 53.050 -0.053 0.000 0.893 381 N CB -0.408 37.965 38.487 -0.190 0.000 0.975 381 N HN 0.415 nan 8.380 nan 0.000 0.451 382 c N 4.223 122.892 118.600 0.115 0.000 2.442 382 c HA 0.238 4.808 4.570 -0.000 0.000 0.362 382 c C -1.950 172.141 174.090 0.001 0.000 1.242 382 c CA -1.685 54.717 56.329 0.121 0.000 1.741 382 c CB -0.195 42.380 42.510 0.108 0.000 2.378 382 c HN 0.210 nan 8.230 nan 0.000 0.549 383 P HA 0.122 nan 4.420 nan 0.000 0.252 383 P C 0.317 177.550 177.300 -0.111 0.000 1.727 383 P CA 0.431 63.518 63.100 -0.021 0.000 1.134 383 P CB -0.366 31.388 31.700 0.090 0.000 1.876 384 I N -1.079 119.410 120.570 -0.134 0.000 3.974 384 I HA 0.137 4.307 4.170 -0.000 0.000 0.334 384 I C 0.774 176.790 176.117 -0.169 0.000 1.437 384 I CA -0.277 60.931 61.300 -0.152 0.000 1.113 384 I CB -0.052 37.866 38.000 -0.137 0.000 1.063 384 I HN -0.111 nan 8.210 nan 0.000 0.400 385 I N 1.331 121.745 120.570 -0.260 0.000 2.761 385 I HA -0.069 4.101 4.170 -0.000 0.000 0.261 385 I C 1.159 176.975 176.117 -0.501 0.000 1.198 385 I CA 1.122 62.178 61.300 -0.407 0.000 1.482 385 I CB -1.922 35.755 38.000 -0.538 0.000 1.100 385 I HN 0.428 nan 8.210 nan 0.000 0.445 386 H N -0.886 118.157 119.070 -0.045 0.000 2.469 386 H HA 0.369 4.925 4.556 -0.000 0.000 0.286 386 H C -0.300 174.990 175.328 -0.063 0.000 1.106 386 H CA -0.252 55.768 56.048 -0.047 0.000 1.055 386 H CB 0.133 29.880 29.762 -0.026 0.000 1.618 386 H HN 0.085 nan 8.280 nan 0.000 0.559 387 c N 1.288 119.865 118.600 -0.039 0.000 2.534 387 c HA 0.173 4.743 4.570 -0.000 0.000 0.309 387 c C 1.464 175.469 174.090 -0.140 0.000 1.072 387 c CA -0.989 55.301 56.329 -0.066 0.000 1.441 387 c CB 0.805 43.280 42.510 -0.059 0.000 1.906 387 c HN 0.644 nan 8.230 nan 0.000 0.429 388 K N 1.042 121.291 120.400 -0.251 0.000 2.113 388 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 388 K C 0.061 176.393 176.600 -0.446 0.000 1.047 388 K CA 1.769 57.781 56.287 -0.460 0.000 0.928 388 K CB -0.002 31.998 32.500 -0.833 0.000 0.716 388 K HN 0.703 nan 8.250 nan 0.000 0.446 389 Y N 0.071 120.358 120.300 -0.022 0.000 2.774 389 Y HA 0.285 4.835 4.550 -0.000 0.000 0.305 389 Y C -0.223 175.653 175.900 -0.040 0.000 1.067 389 Y CA -0.558 57.527 58.100 -0.024 0.000 1.304 389 Y CB 0.607 39.059 38.460 -0.013 0.000 1.209 389 Y HN -0.230 nan 8.280 nan 0.000 0.543 390 S N 0.792 116.509 115.700 0.030 0.000 2.503 390 S HA 0.556 5.026 4.470 -0.000 0.000 0.301 390 S C -0.287 174.287 174.600 -0.044 0.000 1.087 390 S CA -1.022 57.158 58.200 -0.034 0.000 1.042 390 S CB 1.671 64.806 63.200 -0.108 0.000 1.043 390 S HN 0.172 nan 8.310 nan 0.000 0.489 391 K N 1.013 121.385 120.400 -0.048 0.000 2.156 391 K HA 0.572 4.892 4.320 -0.000 0.000 0.250 391 K C 0.971 177.540 176.600 -0.052 0.000 0.955 391 K CA -0.750 55.515 56.287 -0.036 0.000 0.855 391 K CB 1.285 33.777 32.500 -0.014 0.000 1.101 391 K HN 0.583 nan 8.250 nan 0.000 0.434 392 A N 1.976 124.778 122.820 -0.029 0.000 1.940 392 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 392 A C 1.897 179.495 177.584 0.022 0.000 1.176 392 A CA 1.951 53.983 52.037 -0.008 0.000 0.631 392 A CB -0.658 18.346 19.000 0.006 0.000 0.814 392 A HN 0.937 nan 8.150 nan 0.000 0.446 393 E N -0.224 119.986 120.200 0.018 0.000 2.268 393 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 393 E C 1.334 177.942 176.600 0.013 0.000 0.995 393 E CA 1.155 57.574 56.400 0.032 0.000 0.836 393 E CB -0.435 29.280 29.700 0.024 0.000 0.763 393 E HN 0.493 nan 8.360 nan 0.000 0.491 394 N N 1.096 119.780 118.700 -0.028 0.000 2.120 394 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 394 N C 1.720 177.209 175.510 -0.036 0.000 1.024 394 N CA 1.460 54.477 53.050 -0.055 0.000 0.852 394 N CB -0.794 37.614 38.487 -0.132 0.000 1.003 394 N HN 0.303 nan 8.380 nan 0.000 0.424 395 c N 0.687 119.263 118.600 -0.039 0.000 2.413 395 c HA -0.092 4.478 4.570 -0.000 0.000 0.277 395 c C 2.746 176.831 174.090 -0.008 0.000 1.228 395 c CA 0.570 56.955 56.329 0.093 0.000 1.731 395 c CB -0.972 41.645 42.510 0.177 0.000 2.042 395 c HN 0.507 nan 8.230 nan 0.000 0.468 396 R N 0.675 121.102 120.500 -0.122 0.000 2.070 396 R HA -0.116 4.224 4.340 -0.000 0.000 0.233 396 R C 2.152 178.425 176.300 -0.045 0.000 1.137 396 R CA 1.625 57.646 56.100 -0.131 0.000 0.945 396 R CB -0.473 29.826 30.300 -0.000 0.000 0.845 396 R HN 0.495 nan 8.270 nan 0.000 0.430 397 L N 0.897 122.116 121.223 -0.005 0.000 2.079 397 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 397 L C 2.305 179.178 176.870 0.005 0.000 1.081 397 L CA 1.747 56.586 54.840 -0.001 0.000 0.752 397 L CB -0.448 41.619 42.059 0.013 0.000 0.896 397 L HN 0.402 nan 8.230 nan 0.000 0.433 398 S N -1.696 114.036 115.700 0.053 0.000 2.701 398 S HA 0.033 4.503 4.470 -0.000 0.000 0.220 398 S C 1.592 176.234 174.600 0.069 0.000 0.954 398 S CA 0.044 58.313 58.200 0.115 0.000 0.936 398 S CB 0.029 63.388 63.200 0.263 0.000 0.777 398 S HN 0.245 nan 8.310 nan 0.000 0.518 399 M N 1.656 121.229 119.600 -0.045 0.000 2.595 399 M HA 0.273 4.753 4.480 -0.000 0.000 0.248 399 M C 1.088 177.276 176.300 -0.187 0.000 1.119 399 M CA 0.130 55.343 55.300 -0.144 0.000 1.079 399 M CB -0.747 31.642 32.600 -0.351 0.000 1.472 399 M HN 0.518 nan 8.290 nan 0.000 0.501 400 G N -1.055 107.651 108.800 -0.156 0.000 2.537 400 G HA2 0.442 4.402 3.960 -0.000 0.000 0.323 400 G HA3 0.442 4.402 3.960 -0.000 0.000 0.323 400 G C 0.641 175.383 174.900 -0.265 0.000 1.207 400 G CA -0.636 44.347 45.100 -0.195 0.000 0.976 400 G HN -0.061 nan 8.290 nan 0.000 0.487 401 V N 0.521 120.155 119.914 -0.467 0.000 2.626 401 V HA -0.023 4.097 4.120 -0.000 0.000 0.252 401 V C 1.014 176.914 176.094 -0.323 0.000 1.067 401 V CA 2.137 63.921 62.300 -0.860 0.000 1.081 401 V CB -1.063 30.044 31.823 -1.193 0.000 0.686 401 V HN 0.868 nan 8.190 nan 0.000 0.468 402 N N -2.946 115.655 118.700 -0.166 0.000 2.647 402 N HA 0.163 4.903 4.740 -0.000 0.000 0.266 402 N C 0.694 176.186 175.510 -0.031 0.000 1.373 402 N CA 0.010 53.038 53.050 -0.037 0.000 0.807 402 N CB 1.154 39.636 38.487 -0.008 0.000 1.513 402 N HN -0.125 nan 8.380 nan 0.000 0.505 403 S N -0.479 115.221 115.700 -0.000 0.000 2.442 403 S HA -0.088 4.382 4.470 -0.000 0.000 0.236 403 S C 0.424 175.015 174.600 -0.014 0.000 1.007 403 S CA 0.697 58.895 58.200 -0.002 0.000 0.965 403 S CB -0.418 62.789 63.200 0.012 0.000 0.773 403 S HN 0.594 nan 8.310 nan 0.000 0.504 404 K N 2.510 122.901 120.400 -0.014 0.000 2.861 404 K HA 0.226 4.546 4.320 -0.000 0.000 0.210 404 K C -0.214 176.373 176.600 -0.021 0.000 1.112 404 K CA -0.039 56.237 56.287 -0.018 0.000 1.076 404 K CB 0.869 33.365 32.500 -0.007 0.000 0.853 404 K HN 0.519 nan 8.250 nan 0.000 0.463 405 S N -0.195 115.486 115.700 -0.031 0.000 2.580 405 S HA 0.095 4.565 4.470 -0.000 0.000 0.274 405 S C 1.143 175.730 174.600 -0.021 0.000 1.329 405 S CA -0.588 57.602 58.200 -0.017 0.000 1.036 405 S CB 1.395 64.570 63.200 -0.041 0.000 0.919 405 S HN 0.305 nan 8.310 nan 0.000 0.515 406 H N 1.873 120.879 119.070 -0.106 0.000 2.270 406 H HA -0.038 4.518 4.556 -0.000 0.000 0.299 406 H C -0.365 174.810 175.328 -0.254 0.000 1.077 406 H CA 1.550 57.455 56.048 -0.239 0.000 1.294 406 H CB -0.158 29.356 29.762 -0.414 0.000 1.371 406 H HN 0.738 nan 8.280 nan 0.000 0.491 407 Y N 0.160 120.575 120.300 0.191 0.000 2.376 407 Y HA 0.233 4.783 4.550 -0.000 0.000 0.325 407 Y C 0.563 176.434 175.900 -0.048 0.000 1.199 407 Y CA -1.064 57.110 58.100 0.125 0.000 1.206 407 Y CB 0.777 39.397 38.460 0.266 0.000 1.229 407 Y HN 0.080 nan 8.280 nan 0.000 0.480 408 I N 0.301 120.899 120.570 0.047 0.000 2.566 408 I HA 0.569 4.739 4.170 -0.000 0.000 0.303 408 I C -1.242 174.788 176.117 -0.146 0.000 0.983 408 I CA -0.788 60.405 61.300 -0.179 0.000 1.235 408 I CB 0.957 38.631 38.000 -0.543 0.000 1.386 408 I HN 0.372 nan 8.210 nan 0.000 0.494 409 L N 4.162 125.250 121.223 -0.225 0.000 2.317 409 L HA 0.687 5.027 4.340 -0.000 0.000 0.281 409 L C -0.272 176.534 176.870 -0.107 0.000 1.024 409 L CA -0.741 53.942 54.840 -0.262 0.000 0.810 409 L CB 1.573 43.423 42.059 -0.349 0.000 1.240 409 L HN 0.675 nan 8.230 nan 0.000 0.427 410 R N 1.475 121.958 120.500 -0.028 0.000 2.532 410 R HA 0.418 4.758 4.340 -0.000 0.000 0.297 410 R C -0.759 175.617 176.300 0.126 0.000 0.984 410 R CA -0.191 55.974 56.100 0.108 0.000 0.884 410 R CB 1.895 32.363 30.300 0.280 0.000 1.182 410 R HN 0.629 nan 8.270 nan 0.000 0.442 411 S N 1.281 117.076 115.700 0.158 0.000 2.589 411 S HA 0.748 5.218 4.470 -0.000 0.000 0.265 411 S C 0.031 174.744 174.600 0.188 0.000 1.342 411 S CA 0.651 58.980 58.200 0.215 0.000 1.005 411 S CB 1.205 64.552 63.200 0.245 0.000 0.909 411 S HN 0.828 nan 8.310 nan 0.000 0.555 412 G N 0.041 108.962 108.800 0.203 0.000 2.341 412 G HA2 0.438 4.398 3.960 -0.000 0.000 0.299 412 G HA3 0.438 4.398 3.960 -0.000 0.000 0.299 412 G C -2.135 172.811 174.900 0.076 0.000 1.274 412 G CA -0.888 44.189 45.100 -0.039 0.000 0.853 412 G HN 0.603 nan 8.290 nan 0.000 0.493 413 L N -0.013 121.154 121.223 -0.093 0.000 2.342 413 L HA 0.657 4.997 4.340 -0.000 0.000 0.271 413 L C -0.520 176.431 176.870 0.135 0.000 1.008 413 L CA -0.859 54.061 54.840 0.134 0.000 0.818 413 L CB 2.113 44.292 42.059 0.199 0.000 1.296 413 L HN 0.313 nan 8.230 nan 0.000 0.427 414 L N 3.214 124.623 121.223 0.310 0.000 2.287 414 L HA 0.435 4.775 4.340 -0.000 0.000 0.287 414 L C -0.071 176.969 176.870 0.283 0.000 1.022 414 L CA -0.318 54.700 54.840 0.297 0.000 0.814 414 L CB 1.501 43.726 42.059 0.277 0.000 1.217 414 L HN 0.502 nan 8.230 nan 0.000 0.420 415 K N 4.083 124.577 120.400 0.156 0.000 2.156 415 K HA 0.296 4.616 4.320 -0.000 0.000 0.271 415 K C -1.726 174.903 176.600 0.049 0.000 0.995 415 K CA -0.436 55.818 56.287 -0.056 0.000 0.890 415 K CB 1.261 33.712 32.500 -0.082 0.000 1.073 415 K HN 0.596 nan 8.250 nan 0.000 0.454 416 Y N 4.438 124.618 120.300 -0.200 0.000 2.373 416 Y HA 0.200 4.750 4.550 -0.000 0.000 0.327 416 Y C -1.123 174.642 175.900 -0.224 0.000 1.036 416 Y CA -1.148 56.870 58.100 -0.137 0.000 1.265 416 Y CB 1.021 39.465 38.460 -0.028 0.000 1.108 416 Y HN 0.597 nan 8.280 nan 0.000 0.471 417 N N 6.390 124.924 118.700 -0.278 0.000 2.420 417 N HA 0.176 4.916 4.740 -0.000 0.000 0.249 417 N C 0.285 175.491 175.510 -0.506 0.000 1.033 417 N CA 0.017 52.847 53.050 -0.367 0.000 0.944 417 N CB 1.084 39.464 38.487 -0.179 0.000 1.113 417 N HN 0.960 nan 8.380 nan 0.000 0.502 418 L N 1.825 122.662 121.223 -0.643 0.000 2.376 418 L HA -0.044 4.296 4.340 -0.000 0.000 0.219 418 L C 1.929 178.628 176.870 -0.284 0.000 1.133 418 L CA 0.414 54.909 54.840 -0.575 0.000 0.816 418 L CB -0.127 41.533 42.059 -0.665 0.000 0.933 418 L HN 0.459 nan 8.230 nan 0.000 0.449 419 S N 0.258 115.829 115.700 -0.215 0.000 2.400 419 S HA -0.065 4.405 4.470 -0.000 0.000 0.232 419 S C 1.012 175.564 174.600 -0.080 0.000 1.025 419 S CA 0.806 58.936 58.200 -0.116 0.000 0.993 419 S CB -0.283 62.864 63.200 -0.088 0.000 0.808 419 S HN 0.263 nan 8.310 nan 0.000 0.478 420 L N 2.110 123.283 121.223 -0.083 0.000 2.356 420 L HA 0.321 4.661 4.340 -0.000 0.000 0.282 420 L C 1.171 178.021 176.870 -0.034 0.000 1.132 420 L CA -0.558 54.256 54.840 -0.043 0.000 0.923 420 L CB 0.095 42.139 42.059 -0.025 0.000 1.278 420 L HN 0.101 nan 8.230 nan 0.000 0.436 421 G N 1.540 110.325 108.800 -0.025 0.000 3.414 421 G HA2 0.342 4.302 3.960 -0.000 0.000 0.258 421 G HA3 0.342 4.302 3.960 -0.000 0.000 0.258 421 G C 0.663 175.568 174.900 0.008 0.000 1.348 421 G CA 0.412 45.504 45.100 -0.014 0.000 1.319 421 G HN 0.742 nan 8.290 nan 0.000 0.555 422 G N -0.597 108.212 108.800 0.015 0.000 3.069 422 G HA2 0.240 4.200 3.960 -0.000 0.000 0.205 422 G HA3 0.240 4.200 3.960 -0.000 0.000 0.205 422 G C -0.649 174.267 174.900 0.026 0.000 1.771 422 G CA -0.233 44.878 45.100 0.018 0.000 0.739 422 G HN 0.165 nan 8.290 nan 0.000 0.784 423 D N 0.715 121.126 120.400 0.019 0.000 2.424 423 D HA 0.112 4.752 4.640 -0.000 0.000 0.244 423 D C -0.169 176.151 176.300 0.033 0.000 1.134 423 D CA -0.146 53.861 54.000 0.013 0.000 0.881 423 D CB 1.179 41.980 40.800 0.002 0.000 1.191 423 D HN 0.131 nan 8.370 nan 0.000 0.445 424 I N 4.817 125.392 120.570 0.009 0.000 2.471 424 I HA 0.221 4.391 4.170 -0.000 0.000 0.286 424 I C -0.408 175.684 176.117 -0.042 0.000 1.079 424 I CA -0.194 61.108 61.300 0.003 0.000 1.398 424 I CB 0.380 38.284 38.000 -0.160 0.000 1.403 424 I HN 0.312 nan 8.210 nan 0.000 0.530 425 I N 8.314 128.904 120.570 0.033 0.000 2.512 425 I HA 0.382 4.552 4.170 -0.000 0.000 0.287 425 I C -1.577 174.569 176.117 0.048 0.000 1.069 425 I CA -0.652 60.660 61.300 0.020 0.000 1.056 425 I CB 1.120 39.144 38.000 0.041 0.000 1.229 425 I HN 0.500 nan 8.210 nan 0.000 0.429 426 L N 6.934 128.154 121.223 -0.005 0.000 2.309 426 L HA 0.535 4.875 4.340 -0.000 0.000 0.282 426 L C -0.426 176.489 176.870 0.075 0.000 1.036 426 L CA -0.547 54.309 54.840 0.027 0.000 0.806 426 L CB 1.667 43.708 42.059 -0.030 0.000 1.220 426 L HN 0.606 nan 8.230 nan 0.000 0.429 427 Q N 2.512 122.376 119.800 0.106 0.000 2.330 427 Q HA 0.357 4.697 4.340 -0.000 0.000 0.269 427 Q C -1.486 174.629 176.000 0.191 0.000 1.022 427 Q CA -0.717 55.167 55.803 0.135 0.000 0.796 427 Q CB 2.204 31.001 28.738 0.099 0.000 1.271 427 Q HN 0.498 nan 8.270 nan 0.000 0.450 428 F N 4.834 124.827 119.950 0.072 0.000 2.412 428 F HA 0.484 5.011 4.527 -0.000 0.000 0.348 428 F C -0.940 174.903 175.800 0.070 0.000 1.102 428 F CA -0.303 57.735 58.000 0.064 0.000 1.196 428 F CB 0.579 39.594 39.000 0.025 0.000 1.144 428 F HN 0.456 nan 8.300 nan 0.000 0.541 429 I N 5.972 126.074 120.570 -0.781 0.000 2.439 429 I HA 0.194 4.364 4.170 -0.000 0.000 0.285 429 I C -0.734 174.824 176.117 -0.931 0.000 1.021 429 I CA -0.778 60.181 61.300 -0.569 0.000 1.091 429 I CB 1.689 39.555 38.000 -0.223 0.000 1.242 429 I HN 0.611 nan 8.210 nan 0.000 0.439 430 E N 7.191 127.046 120.200 -0.576 0.000 2.338 430 E HA 0.319 4.669 4.350 -0.000 0.000 0.272 430 E C -0.295 176.209 176.600 -0.161 0.000 1.029 430 E CA -0.600 55.617 56.400 -0.305 0.000 0.872 430 E CB 2.125 31.903 29.700 0.130 0.000 1.015 430 E HN 0.563 nan 8.360 nan 0.000 0.417 431 I N 2.326 122.832 120.570 -0.107 0.000 2.892 431 I HA 0.107 4.277 4.170 -0.000 0.000 0.287 431 I C 0.271 176.383 176.117 -0.009 0.000 1.205 431 I CA -0.052 61.189 61.300 -0.099 0.000 1.409 431 I CB 0.548 38.509 38.000 -0.065 0.000 1.367 431 I HN 0.833 nan 8.210 nan 0.000 0.597 432 A N 4.684 127.477 122.820 -0.044 0.000 2.406 432 A HA 0.057 4.377 4.320 -0.000 0.000 0.243 432 A C 0.606 178.248 177.584 0.096 0.000 1.082 432 A CA 0.116 52.159 52.037 0.011 0.000 0.786 432 A CB 0.077 19.051 19.000 -0.043 0.000 1.029 432 A HN 0.840 nan 8.150 nan 0.000 0.495 433 D N 0.622 121.093 120.400 0.117 0.000 2.319 433 D HA -0.075 4.565 4.640 -0.000 0.000 0.230 433 D C -0.182 176.223 176.300 0.174 0.000 1.094 433 D CA -0.225 53.877 54.000 0.170 0.000 0.856 433 D CB -0.508 40.390 40.800 0.164 0.000 0.915 433 D HN 0.462 nan 8.370 nan 0.000 0.517 434 N N 1.516 120.317 118.700 0.167 0.000 2.431 434 N HA -0.034 4.706 4.740 -0.000 0.000 0.265 434 N C 0.267 175.963 175.510 0.310 0.000 1.184 434 N CA -0.196 52.975 53.050 0.201 0.000 0.943 434 N CB 0.748 39.327 38.487 0.154 0.000 1.080 434 N HN 0.215 nan 8.380 nan 0.000 0.477 435 R N -0.263 120.358 120.500 0.202 0.000 3.422 435 R HA -0.199 4.141 4.340 -0.000 0.000 0.267 435 R C -0.823 175.484 176.300 0.011 0.000 1.074 435 R CA 0.047 56.190 56.100 0.071 0.000 0.718 435 R CB -1.428 28.832 30.300 -0.066 0.000 1.157 435 R HN 0.668 nan 8.270 nan 0.000 0.440 436 L N 0.197 121.501 121.223 0.135 0.000 2.483 436 L HA 0.318 4.658 4.340 -0.000 0.000 0.276 436 L C 0.078 176.971 176.870 0.038 0.000 1.213 436 L CA 1.385 56.310 54.840 0.142 0.000 0.843 436 L CB 1.303 43.522 42.059 0.266 0.000 1.107 436 L HN 0.273 nan 8.230 nan 0.000 0.487 437 T N 4.477 119.029 114.554 -0.003 0.000 2.885 437 T HA 0.305 4.655 4.350 -0.000 0.000 0.322 437 T C -0.681 174.007 174.700 -0.020 0.000 1.387 437 T CA -0.649 61.393 62.100 -0.096 0.000 1.041 437 T CB 1.203 69.911 68.868 -0.266 0.000 1.287 437 T HN 0.687 nan 8.240 nan 0.000 0.491 438 I N 2.466 123.036 120.570 -0.001 0.000 2.906 438 I HA 0.234 4.404 4.170 -0.000 0.000 0.302 438 I C 1.211 177.360 176.117 0.054 0.000 1.220 438 I CA 0.525 61.848 61.300 0.038 0.000 1.441 438 I CB 0.180 38.255 38.000 0.125 0.000 1.336 438 I HN 0.797 nan 8.210 nan 0.000 0.565 439 G N 5.829 114.655 108.800 0.043 0.000 2.224 439 G HA2 0.271 4.231 3.960 -0.000 0.000 0.239 439 G HA3 0.271 4.231 3.960 -0.000 0.000 0.239 439 G C -0.410 174.584 174.900 0.157 0.000 1.240 439 G CA 0.335 45.486 45.100 0.085 0.000 0.896 439 G HN 0.905 nan 8.290 nan 0.000 0.496 440 S N 2.310 118.055 115.700 0.074 0.000 2.570 440 S HA 0.698 5.168 4.470 -0.000 0.000 0.270 440 S C -3.276 170.970 174.600 -0.589 0.000 1.149 440 S CA -1.576 56.445 58.200 -0.298 0.000 0.837 440 S CB 2.401 65.293 63.200 -0.513 0.000 1.124 440 S HN 0.368 nan 8.310 nan 0.000 0.465 441 P HA 0.358 nan 4.420 nan 0.000 0.264 441 P C -0.660 176.534 177.300 -0.177 0.000 1.193 441 P CA 0.314 62.922 63.100 -0.820 0.000 0.763 441 P CB 0.502 31.780 31.700 -0.702 0.000 0.810 442 S N 1.975 117.644 115.700 -0.051 0.000 2.661 442 S HA 0.651 5.121 4.470 -0.000 0.000 0.285 442 S C -0.910 173.718 174.600 0.045 0.000 1.138 442 S CA -0.750 57.452 58.200 0.002 0.000 0.855 442 S CB 1.970 65.130 63.200 -0.067 0.000 1.136 442 S HN 0.347 nan 8.310 nan 0.000 0.484 443 K N 1.494 121.822 120.400 -0.120 0.000 2.553 443 K HA 0.546 4.866 4.320 -0.000 0.000 0.250 443 K C -1.979 174.545 176.600 -0.127 0.000 0.953 443 K CA -0.408 55.908 56.287 0.049 0.000 0.800 443 K CB 1.614 34.297 32.500 0.305 0.000 1.243 443 K HN 0.697 nan 8.250 nan 0.000 0.435 444 I N 5.325 125.926 120.570 0.051 0.000 2.433 444 I HA 0.513 4.683 4.170 -0.000 0.000 0.292 444 I C -1.667 174.608 176.117 0.263 0.000 1.001 444 I CA -0.769 60.608 61.300 0.127 0.000 1.119 444 I CB 0.999 39.126 38.000 0.211 0.000 1.289 444 I HN 0.710 nan 8.210 nan 0.000 0.438 445 Y N 3.318 123.649 120.300 0.052 0.000 2.552 445 Y HA 0.533 5.083 4.550 -0.000 0.000 0.337 445 Y C -1.468 174.435 175.900 0.005 0.000 1.094 445 Y CA -1.294 56.842 58.100 0.060 0.000 1.028 445 Y CB 0.566 39.072 38.460 0.077 0.000 1.321 445 Y HN 0.440 nan 8.280 nan 0.000 0.456 446 N N 1.364 120.155 118.700 0.151 0.000 2.499 446 N HA 0.561 5.301 4.740 -0.000 0.000 0.281 446 N C -1.243 174.346 175.510 0.132 0.000 1.098 446 N CA -0.262 52.824 53.050 0.060 0.000 0.979 446 N CB 1.665 40.211 38.487 0.098 0.000 1.121 446 N HN 0.663 nan 8.380 nan 0.000 0.466 447 S N 2.324 118.022 115.700 -0.004 0.000 2.614 447 S HA 0.342 4.812 4.470 -0.000 0.000 0.275 447 S C -0.399 174.195 174.600 -0.009 0.000 1.161 447 S CA -0.651 57.581 58.200 0.053 0.000 0.969 447 S CB 0.065 63.222 63.200 -0.072 0.000 1.059 447 S HN 0.656 nan 8.310 nan 0.000 0.482 448 L N 3.850 125.100 121.223 0.044 0.000 3.737 448 L HA -0.284 4.056 4.340 -0.000 0.000 0.418 448 L C 1.277 178.147 176.870 0.001 0.000 1.216 448 L CA 0.682 55.529 54.840 0.012 0.000 0.915 448 L CB -2.016 40.024 42.059 -0.032 0.000 1.834 448 L HN 1.240 nan 8.230 nan 0.000 0.943 449 G N -1.756 107.055 108.800 0.018 0.000 2.234 449 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.235 449 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.235 449 G C 0.138 175.036 174.900 -0.004 0.000 0.997 449 G CA 0.453 45.560 45.100 0.013 0.000 0.623 449 G HN 0.503 nan 8.290 nan 0.000 0.514 450 Q N 0.504 120.287 119.800 -0.029 0.000 2.433 450 Q HA 0.569 4.909 4.340 -0.000 0.000 0.279 450 Q C -2.922 173.022 176.000 -0.093 0.000 1.105 450 Q CA -2.194 53.579 55.803 -0.050 0.000 0.815 450 Q CB 2.882 31.593 28.738 -0.044 0.000 1.403 450 Q HN 0.184 nan 8.270 nan 0.000 0.435 451 P HA 0.225 nan 4.420 nan 0.000 0.278 451 P C -1.085 176.080 177.300 -0.226 0.000 1.238 451 P CA -0.274 62.730 63.100 -0.159 0.000 0.794 451 P CB 0.877 32.507 31.700 -0.117 0.000 0.955 452 V N 2.770 122.429 119.914 -0.425 0.000 2.925 452 V HA 0.493 4.613 4.120 -0.000 0.000 0.311 452 V C -0.888 175.001 176.094 -0.341 0.000 1.104 452 V CA -0.499 61.524 62.300 -0.462 0.000 0.954 452 V CB 2.081 33.405 31.823 -0.831 0.000 1.022 452 V HN 0.409 nan 8.190 nan 0.000 0.427 453 F N 3.455 123.303 119.950 -0.169 0.000 2.520 453 F HA 0.711 5.238 4.527 -0.000 0.000 0.322 453 F C -1.123 174.862 175.800 0.308 0.000 1.103 453 F CA -0.688 57.335 58.000 0.039 0.000 0.926 453 F CB 1.738 40.696 39.000 -0.070 0.000 1.154 453 F HN 0.547 nan 8.300 nan 0.000 0.453 454 Y N 5.258 125.532 120.300 -0.042 0.000 2.376 454 Y HA 0.481 5.031 4.550 -0.000 0.000 0.340 454 Y C -1.259 174.606 175.900 -0.057 0.000 0.965 454 Y CA -0.614 57.547 58.100 0.100 0.000 1.078 454 Y CB 1.393 39.892 38.460 0.064 0.000 1.193 454 Y HN 0.663 nan 8.280 nan 0.000 0.452 455 Q N 4.963 124.418 119.800 -0.575 0.000 2.337 455 Q HA 0.782 5.122 4.340 -0.000 0.000 0.270 455 Q C -1.307 174.103 176.000 -0.983 0.000 1.043 455 Q CA -1.020 54.481 55.803 -0.502 0.000 0.794 455 Q CB 1.877 30.648 28.738 0.056 0.000 1.281 455 Q HN 0.968 nan 8.270 nan 0.000 0.446 456 A N 2.296 124.719 122.820 -0.662 0.000 2.425 456 A HA 0.349 4.669 4.320 -0.000 0.000 0.242 456 A C -0.302 177.142 177.584 -0.233 0.000 1.077 456 A CA -0.205 51.599 52.037 -0.388 0.000 0.781 456 A CB 0.552 19.504 19.000 -0.080 0.000 1.020 456 A HN 0.709 nan 8.150 nan 0.000 0.494 457 S N 1.331 116.985 115.700 -0.077 0.000 2.835 457 S HA 0.255 4.725 4.470 -0.000 0.000 0.286 457 S C -0.271 174.390 174.600 0.102 0.000 1.194 457 S CA -0.081 58.071 58.200 -0.080 0.000 1.031 457 S CB -0.490 62.617 63.200 -0.156 0.000 1.216 457 S HN 0.627 nan 8.310 nan 0.000 0.502 458 Y N 1.216 121.441 120.300 -0.125 0.000 2.495 458 Y HA 0.209 4.759 4.550 -0.000 0.000 0.293 458 Y C 1.458 177.337 175.900 -0.036 0.000 1.186 458 Y CA -0.470 57.571 58.100 -0.098 0.000 1.266 458 Y CB 0.464 38.916 38.460 -0.012 0.000 1.101 458 Y HN 0.525 nan 8.280 nan 0.000 0.517 459 S N -1.073 114.649 115.700 0.037 0.000 3.642 459 S HA 0.115 4.585 4.470 -0.000 0.000 0.312 459 S C 0.398 174.991 174.600 -0.013 0.000 1.117 459 S CA -0.652 57.564 58.200 0.026 0.000 1.104 459 S CB -0.177 62.989 63.200 -0.058 0.000 1.397 459 S HN 0.495 nan 8.310 nan 0.000 0.756 460 W N 0.854 122.174 121.300 0.033 0.000 2.658 460 W HA 0.287 4.947 4.660 -0.000 0.000 0.263 460 W C -0.016 176.504 176.519 0.003 0.000 1.274 460 W CA 0.544 57.901 57.345 0.019 0.000 1.343 460 W CB -0.958 28.521 29.460 0.031 0.000 1.106 460 W HN 0.486 nan 8.180 nan 0.000 0.615 461 D N 2.626 122.571 120.400 -0.759 0.000 2.558 461 D HA 0.039 4.679 4.640 -0.000 0.000 0.221 461 D C 1.650 177.748 176.300 -0.336 0.000 1.143 461 D CA 0.579 54.177 54.000 -0.669 0.000 1.010 461 D CB 0.584 40.712 40.800 -1.121 0.000 1.068 461 D HN 0.054 nan 8.370 nan 0.000 0.511 462 T N -0.355 114.108 114.554 -0.152 0.000 3.067 462 T HA 0.030 4.380 4.350 -0.000 0.000 0.261 462 T C 1.140 175.746 174.700 -0.158 0.000 1.110 462 T CA -0.168 61.849 62.100 -0.140 0.000 1.113 462 T CB -0.074 68.736 68.868 -0.098 0.000 0.917 462 T HN 0.109 nan 8.240 nan 0.000 0.499 463 M N 1.508 121.028 119.600 -0.133 0.000 2.248 463 M HA 0.354 4.834 4.480 -0.000 0.000 0.337 463 M C 0.519 176.730 176.300 -0.148 0.000 1.121 463 M CA -1.649 53.580 55.300 -0.118 0.000 1.155 463 M CB 0.094 32.658 32.600 -0.061 0.000 1.514 463 M HN 0.260 nan 8.290 nan 0.000 0.452 464 I N 3.000 123.504 120.570 -0.110 0.000 2.752 464 I HA -0.107 4.063 4.170 -0.000 0.000 0.289 464 I C 0.016 176.093 176.117 -0.066 0.000 1.197 464 I CA 0.629 61.902 61.300 -0.046 0.000 1.432 464 I CB 0.178 38.189 38.000 0.018 0.000 1.359 464 I HN 0.532 nan 8.210 nan 0.000 0.571 465 K N 8.202 128.520 120.400 -0.137 0.000 2.316 465 K HA 0.581 4.901 4.320 -0.000 0.000 0.267 465 K C -1.311 175.409 176.600 0.200 0.000 1.025 465 K CA -0.540 55.586 56.287 -0.269 0.000 0.896 465 K CB 1.436 33.469 32.500 -0.777 0.000 1.124 465 K HN 0.439 nan 8.250 nan 0.000 0.451 466 L N 0.783 122.341 121.223 0.559 0.000 2.591 466 L HA 0.735 5.074 4.340 -0.000 0.000 0.257 466 L C -1.269 175.886 176.870 0.475 0.000 0.935 466 L CA 0.141 55.344 54.840 0.605 0.000 0.873 466 L CB 2.239 44.616 42.059 0.530 0.000 1.397 466 L HN 0.668 nan 8.230 nan 0.000 0.414 467 G N 1.775 110.784 108.800 0.348 0.000 2.325 467 G HA2 0.290 4.250 3.960 -0.000 0.000 0.297 467 G HA3 0.290 4.250 3.960 -0.000 0.000 0.297 467 G C -2.001 172.958 174.900 0.098 0.000 1.448 467 G CA -0.847 44.307 45.100 0.090 0.000 0.838 467 G HN 0.603 nan 8.290 nan 0.000 0.579 468 D N -0.142 120.326 120.400 0.113 0.000 2.414 468 D HA 0.302 4.942 4.640 -0.000 0.000 0.242 468 D C 0.742 176.976 176.300 -0.110 0.000 1.129 468 D CA 0.192 54.235 54.000 0.072 0.000 0.885 468 D CB 1.830 42.716 40.800 0.143 0.000 1.198 468 D HN 0.171 nan 8.370 nan 0.000 0.437 469 V N 3.646 123.485 119.914 -0.125 0.000 2.470 469 V HA -0.050 4.070 4.120 -0.000 0.000 0.276 469 V C 1.527 177.518 176.094 -0.172 0.000 1.040 469 V CA 0.036 62.221 62.300 -0.192 0.000 1.008 469 V CB 1.324 33.045 31.823 -0.170 0.000 0.990 469 V HN 0.552 nan 8.190 nan 0.000 0.477 470 D N 3.246 123.521 120.400 -0.209 0.000 2.106 470 D HA -0.037 4.603 4.640 -0.000 0.000 0.203 470 D C 0.784 176.998 176.300 -0.142 0.000 0.977 470 D CA 1.525 55.428 54.000 -0.161 0.000 0.844 470 D CB 0.589 41.284 40.800 -0.175 0.000 1.002 470 D HN 0.695 nan 8.370 nan 0.000 0.461 471 T N -1.983 112.472 114.554 -0.166 0.000 2.900 471 T HA 0.466 4.816 4.350 -0.000 0.000 0.295 471 T C 0.961 175.543 174.700 -0.196 0.000 1.044 471 T CA -0.883 61.127 62.100 -0.151 0.000 0.995 471 T CB 2.101 70.898 68.868 -0.120 0.000 1.072 471 T HN -0.196 nan 8.240 nan 0.000 0.473 472 V N 0.169 119.958 119.914 -0.208 0.000 2.426 472 V HA 0.172 4.292 4.120 -0.000 0.000 0.242 472 V C 0.516 176.455 176.094 -0.258 0.000 1.036 472 V CA 1.248 63.368 62.300 -0.300 0.000 1.044 472 V CB -0.236 31.323 31.823 -0.439 0.000 0.688 472 V HN 1.017 nan 8.190 nan 0.000 0.462 473 D N 0.615 120.916 120.400 -0.165 0.000 2.440 473 D HA 0.380 5.020 4.640 -0.000 0.000 0.252 473 D C -2.608 173.658 176.300 -0.057 0.000 1.180 473 D CA -1.707 52.247 54.000 -0.076 0.000 0.894 473 D CB 1.612 42.425 40.800 0.022 0.000 1.111 473 D HN 0.194 nan 8.370 nan 0.000 0.544 474 P HA 0.250 nan 4.420 nan 0.000 0.275 474 P C -0.560 176.656 177.300 -0.140 0.000 1.228 474 P CA -0.818 62.230 63.100 -0.086 0.000 0.786 474 P CB 0.608 32.273 31.700 -0.058 0.000 0.927 475 L N 2.979 124.094 121.223 -0.181 0.000 2.360 475 L HA 0.341 4.681 4.340 -0.000 0.000 0.276 475 L C 0.128 176.834 176.870 -0.274 0.000 1.121 475 L CA 0.475 55.159 54.840 -0.260 0.000 0.845 475 L CB -0.430 41.438 42.059 -0.317 0.000 1.143 475 L HN 0.364 nan 8.230 nan 0.000 0.452 476 R N 4.266 124.578 120.500 -0.314 0.000 2.510 476 R HA 0.581 4.921 4.340 -0.000 0.000 0.287 476 R C -1.962 174.072 176.300 -0.444 0.000 1.084 476 R CA -0.605 55.300 56.100 -0.325 0.000 0.934 476 R CB 1.709 31.881 30.300 -0.214 0.000 1.201 476 R HN 0.515 nan 8.270 nan 0.000 0.431 477 V N 3.936 123.447 119.914 -0.672 0.000 2.483 477 V HA 0.301 4.421 4.120 -0.000 0.000 0.295 477 V C 0.108 175.709 176.094 -0.822 0.000 1.035 477 V CA -0.759 61.007 62.300 -0.890 0.000 0.896 477 V CB 1.776 32.626 31.823 -1.622 0.000 0.986 477 V HN 0.710 nan 8.190 nan 0.000 0.447 478 Q N 3.497 122.985 119.800 -0.521 0.000 2.681 478 Q HA 0.196 4.536 4.340 -0.000 0.000 0.222 478 Q C -0.925 174.908 176.000 -0.278 0.000 1.258 478 Q CA -0.166 55.435 55.803 -0.337 0.000 1.014 478 Q CB 0.354 28.964 28.738 -0.214 0.000 1.384 478 Q HN 0.711 nan 8.270 nan 0.000 0.570 479 W N 2.514 123.753 121.300 -0.101 0.000 2.314 479 W HA -0.017 4.643 4.660 -0.000 0.000 0.339 479 W C 0.715 177.133 176.519 -0.168 0.000 1.293 479 W CA -0.736 56.548 57.345 -0.102 0.000 1.288 479 W CB 0.359 29.779 29.460 -0.067 0.000 1.186 479 W HN 0.201 nan 8.180 nan 0.000 0.566 480 R N 2.764 123.283 120.500 0.032 0.000 2.543 480 R HA 0.022 4.362 4.340 -0.000 0.000 0.277 480 R C 0.087 176.380 176.300 -0.012 0.000 1.074 480 R CA -0.360 55.662 56.100 -0.130 0.000 1.076 480 R CB 0.038 30.202 30.300 -0.227 0.000 0.993 480 R HN 0.460 nan 8.270 nan 0.000 0.459 481 N N 2.600 121.277 118.700 -0.038 0.000 3.178 481 N HA -0.038 4.702 4.740 -0.000 0.000 0.300 481 N C -0.256 175.250 175.510 -0.006 0.000 1.242 481 N CA 0.079 53.123 53.050 -0.011 0.000 1.192 481 N CB 0.070 38.550 38.487 -0.013 0.000 1.463 481 N HN 0.340 nan 8.380 nan 0.000 0.539 482 N N 0.843 119.547 118.700 0.006 0.000 2.472 482 N HA 0.070 4.810 4.740 -0.000 0.000 0.277 482 N C 0.332 175.843 175.510 0.001 0.000 1.081 482 N CA 0.003 53.066 53.050 0.022 0.000 0.973 482 N CB 0.896 39.418 38.487 0.060 0.000 1.105 482 N HN 0.238 nan 8.380 nan 0.000 0.470 483 S N 0.909 116.608 115.700 -0.001 0.000 2.819 483 S HA 0.091 4.561 4.470 -0.000 0.000 0.249 483 S C 0.931 175.531 174.600 -0.000 0.000 1.030 483 S CA -0.174 58.028 58.200 0.002 0.000 1.052 483 S CB -0.494 62.702 63.200 -0.007 0.000 1.017 483 S HN 0.388 nan 8.310 nan 0.000 0.576 484 V N -2.402 117.488 119.914 -0.040 0.000 3.485 484 V HA 0.598 4.718 4.120 -0.000 0.000 0.280 484 V C -0.195 175.795 176.094 -0.173 0.000 1.495 484 V CA -0.315 61.942 62.300 -0.071 0.000 1.018 484 V CB 0.048 31.802 31.823 -0.114 0.000 0.818 484 V HN 0.376 nan 8.190 nan 0.000 0.436 485 I N 1.414 121.823 120.570 -0.269 0.000 2.418 485 I HA 0.695 4.865 4.170 -0.000 0.000 0.287 485 I C 0.046 175.982 176.117 -0.301 0.000 1.008 485 I CA 0.359 61.392 61.300 -0.445 0.000 1.104 485 I CB 1.306 38.873 38.000 -0.721 0.000 1.264 485 I HN 0.277 nan 8.210 nan 0.000 0.438 486 S N 6.486 121.953 115.700 -0.387 0.000 3.379 486 S HA 0.792 5.262 4.470 -0.000 0.000 0.273 486 S C -0.730 173.693 174.600 -0.296 0.000 1.027 486 S CA -0.381 57.584 58.200 -0.391 0.000 1.098 486 S CB 1.626 64.380 63.200 -0.743 0.000 1.317 486 S HN 0.719 nan 8.310 nan 0.000 0.715 487 R N 0.605 120.931 120.500 -0.289 0.000 2.663 487 R HA 0.477 4.817 4.340 -0.000 0.000 0.267 487 R C -3.609 172.585 176.300 -0.176 0.000 1.038 487 R CA -1.852 54.147 56.100 -0.170 0.000 0.886 487 R CB 0.115 30.361 30.300 -0.090 0.000 1.249 487 R HN 0.380 nan 8.270 nan 0.000 0.463 488 P HA 0.270 nan 4.420 nan 0.000 0.271 488 P C -0.131 177.102 177.300 -0.113 0.000 1.216 488 P CA 0.176 63.212 63.100 -0.107 0.000 0.776 488 P CB 0.923 32.581 31.700 -0.070 0.000 0.881 489 G N 1.585 110.327 108.800 -0.098 0.000 3.135 489 G HA2 0.494 4.454 3.960 -0.000 0.000 0.159 489 G HA3 0.494 4.454 3.960 -0.000 0.000 0.159 489 G C -0.892 173.961 174.900 -0.079 0.000 1.244 489 G CA -0.338 44.704 45.100 -0.096 0.000 0.965 489 G HN 0.492 nan 8.290 nan 0.000 0.599 490 Q N -1.716 118.048 119.800 -0.060 0.000 3.017 490 Q HA 0.444 4.784 4.340 -0.000 0.000 0.299 490 Q C 1.429 177.421 176.000 -0.013 0.000 1.046 490 Q CA -0.442 55.336 55.803 -0.041 0.000 0.821 490 Q CB 1.813 30.521 28.738 -0.051 0.000 1.481 490 Q HN 0.467 nan 8.270 nan 0.000 0.494 491 S N -0.044 115.653 115.700 -0.005 0.000 2.381 491 S HA -0.313 4.157 4.470 -0.000 0.000 0.230 491 S C 1.657 176.269 174.600 0.020 0.000 1.052 491 S CA 2.497 60.701 58.200 0.007 0.000 1.068 491 S CB -0.052 63.151 63.200 0.005 0.000 0.918 491 S HN 0.531 nan 8.310 nan 0.000 0.448 492 Q N -0.511 119.304 119.800 0.025 0.000 2.137 492 Q HA 0.138 4.478 4.340 -0.000 0.000 0.198 492 Q C 0.197 176.234 176.000 0.063 0.000 0.960 492 Q CA 1.167 56.996 55.803 0.043 0.000 0.847 492 Q CB 0.067 28.835 28.738 0.050 0.000 0.915 492 Q HN 0.582 nan 8.270 nan 0.000 0.448 493 c N 2.574 121.207 118.600 0.054 0.000 3.188 493 c HA 0.507 5.077 4.570 -0.000 0.000 0.230 493 c C -2.364 171.740 174.090 0.024 0.000 1.239 493 c CA -1.682 54.688 56.329 0.069 0.000 1.494 493 c CB 0.396 42.965 42.510 0.098 0.000 1.798 493 c HN 0.405 nan 8.230 nan 0.000 0.458 494 P HA 0.214 nan 4.420 nan 0.000 0.297 494 P C 0.030 177.307 177.300 -0.037 0.000 1.303 494 P CA -0.328 62.771 63.100 -0.003 0.000 0.753 494 P CB 0.569 32.286 31.700 0.028 0.000 1.281 495 R N -0.846 119.594 120.500 -0.099 0.000 2.756 495 R HA 0.019 4.359 4.340 -0.000 0.000 0.264 495 R C 0.138 176.350 176.300 -0.145 0.000 1.026 495 R CA 0.468 56.386 56.100 -0.303 0.000 1.121 495 R CB -0.661 29.326 30.300 -0.521 0.000 0.999 495 R HN 0.476 nan 8.270 nan 0.000 0.449 496 F N -1.532 118.407 119.950 -0.019 0.000 2.973 496 F HA -0.325 4.202 4.527 -0.000 0.000 0.299 496 F C 0.423 176.233 175.800 0.017 0.000 0.737 496 F CA 0.841 58.832 58.000 -0.015 0.000 1.151 496 F CB -2.058 36.930 39.000 -0.020 0.000 1.440 496 F HN 0.575 nan 8.300 nan 0.000 0.367 497 N N 0.183 118.965 118.700 0.137 0.000 2.520 497 N HA 0.493 5.233 4.740 -0.000 0.000 0.273 497 N C 0.548 176.171 175.510 0.187 0.000 1.155 497 N CA 0.163 53.306 53.050 0.154 0.000 0.967 497 N CB 1.015 39.586 38.487 0.140 0.000 1.092 497 N HN -0.003 nan 8.380 nan 0.000 0.457 498 V N 1.389 121.438 119.914 0.225 0.000 3.382 498 V HA 0.189 4.309 4.120 -0.000 0.000 0.296 498 V C -0.108 176.203 176.094 0.361 0.000 1.529 498 V CA -0.306 62.184 62.300 0.318 0.000 1.048 498 V CB -0.174 31.778 31.823 0.215 0.000 0.878 498 V HN 0.687 nan 8.190 nan 0.000 0.442 499 c N 3.234 121.956 118.600 0.203 0.000 2.499 499 c HA 0.399 4.969 4.570 -0.000 0.000 0.386 499 c C -2.097 171.889 174.090 -0.173 0.000 1.293 499 c CA -1.091 55.245 56.329 0.012 0.000 1.884 499 c CB 0.447 42.968 42.510 0.019 0.000 2.509 499 c HN 0.273 nan 8.230 nan 0.000 0.566 500 P HA 0.131 nan 4.420 nan 0.000 0.263 500 P C -0.223 176.773 177.300 -0.507 0.000 1.195 500 P CA 0.814 63.147 63.100 -1.277 0.000 0.762 500 P CB 0.439 31.402 31.700 -1.229 0.000 0.799 501 E N 1.625 121.653 120.200 -0.287 0.000 2.408 501 E HA 0.270 4.620 4.350 -0.000 0.000 0.275 501 E C -0.826 175.818 176.600 0.073 0.000 0.935 501 E CA -0.982 55.398 56.400 -0.035 0.000 0.775 501 E CB 2.024 31.762 29.700 0.063 0.000 1.277 501 E HN -0.047 nan 8.360 nan 0.000 0.455 502 V N 1.691 121.645 119.914 0.067 0.000 2.352 502 V HA 0.178 4.298 4.120 -0.000 0.000 0.253 502 V C 0.221 176.393 176.094 0.131 0.000 1.083 502 V CA -0.385 61.975 62.300 0.101 0.000 0.993 502 V CB -0.919 30.941 31.823 0.061 0.000 1.111 502 V HN 0.713 nan 8.190 nan 0.000 0.490 503 c N 2.527 121.242 118.600 0.191 0.000 2.891 503 c HA 0.732 5.302 4.570 -0.000 0.000 0.342 503 c C -1.211 173.040 174.090 0.269 0.000 1.126 503 c CA -1.118 55.324 56.329 0.189 0.000 1.322 503 c CB 0.829 43.429 42.510 0.151 0.000 1.763 503 c HN 0.838 nan 8.230 nan 0.000 0.491 504 W N 4.719 126.042 121.300 0.038 0.000 2.443 504 W HA 0.629 5.289 4.660 -0.000 0.000 0.303 504 W C -0.338 176.156 176.519 -0.042 0.000 0.991 504 W CA -0.146 57.215 57.345 0.026 0.000 1.522 504 W CB 0.527 30.013 29.460 0.044 0.000 1.315 504 W HN 0.954 nan 8.180 nan 0.000 0.419 505 E N 4.063 124.074 120.200 -0.315 0.000 2.407 505 E HA 0.760 5.110 4.350 -0.000 0.000 0.279 505 E C -0.262 176.045 176.600 -0.488 0.000 1.012 505 E CA -0.913 55.208 56.400 -0.465 0.000 0.800 505 E CB 1.628 31.193 29.700 -0.225 0.000 1.276 505 E HN 0.524 nan 8.360 nan 0.000 0.452 506 G N 0.287 108.764 108.800 -0.540 0.000 2.359 506 G HA2 0.353 4.313 3.960 -0.000 0.000 0.303 506 G HA3 0.353 4.313 3.960 -0.000 0.000 0.303 506 G C -1.077 173.543 174.900 -0.466 0.000 1.293 506 G CA -0.222 44.628 45.100 -0.416 0.000 0.964 506 G HN 1.154 nan 8.290 nan 0.000 0.531 507 T N -2.760 111.691 114.554 -0.171 0.000 2.956 507 T HA 0.588 4.938 4.350 -0.000 0.000 0.312 507 T C -0.933 173.921 174.700 0.257 0.000 1.151 507 T CA -0.509 61.597 62.100 0.009 0.000 1.024 507 T CB 1.899 70.766 68.868 -0.003 0.000 1.140 507 T HN 1.617 nan 8.240 nan 0.000 0.473 508 Y N 2.833 123.285 120.300 0.253 0.000 2.537 508 Y HA 0.424 4.974 4.550 -0.000 0.000 0.339 508 Y C -0.176 175.830 175.900 0.176 0.000 1.066 508 Y CA 0.115 58.378 58.100 0.272 0.000 1.357 508 Y CB 0.170 38.757 38.460 0.211 0.000 1.175 508 Y HN 0.822 nan 8.280 nan 0.000 0.525 509 N N 5.212 123.852 118.700 -0.101 0.000 2.752 509 N HA 0.083 4.823 4.740 -0.000 0.000 0.260 509 N C -1.590 173.564 175.510 -0.593 0.000 1.562 509 N CA -0.806 52.125 53.050 -0.198 0.000 0.788 509 N CB 0.327 38.793 38.487 -0.034 0.000 1.192 509 N HN 0.653 nan 8.380 nan 0.000 0.503 510 D N 0.838 120.594 120.400 -1.073 0.000 2.369 510 D HA 0.511 5.151 4.640 -0.000 0.000 0.241 510 D C -0.129 175.767 176.300 -0.673 0.000 1.271 510 D CA -0.489 52.535 54.000 -1.626 0.000 0.942 510 D CB 0.829 40.897 40.800 -1.220 0.000 1.129 510 D HN 0.259 nan 8.370 nan 0.000 0.476 511 A N -0.866 121.676 122.820 -0.464 0.000 2.556 511 A HA 0.600 4.920 4.320 -0.000 0.000 0.294 511 A C -1.796 175.788 177.584 -0.000 0.000 1.091 511 A CA -0.903 51.087 52.037 -0.078 0.000 0.704 511 A CB 1.201 20.308 19.000 0.179 0.000 1.300 511 A HN 0.482 nan 8.150 nan 0.000 0.406 512 F N 1.370 121.237 119.950 -0.138 0.000 2.460 512 F HA 0.536 5.063 4.527 -0.000 0.000 0.341 512 F C -0.244 175.516 175.800 -0.066 0.000 1.130 512 F CA -0.833 57.084 58.000 -0.139 0.000 0.962 512 F CB 1.546 40.422 39.000 -0.207 0.000 1.171 512 F HN 0.582 nan 8.300 nan 0.000 0.436 513 L N 7.846 128.996 121.223 -0.122 0.000 2.584 513 L HA 0.135 4.474 4.340 -0.000 0.000 0.272 513 L C 0.610 177.428 176.870 -0.086 0.000 1.195 513 L CA 0.809 55.467 54.840 -0.304 0.000 0.920 513 L CB 0.158 41.841 42.059 -0.627 0.000 1.173 513 L HN 0.705 nan 8.230 nan 0.000 0.489 514 I N -0.251 120.246 120.570 -0.121 0.000 4.154 514 I HA 0.490 4.660 4.170 -0.000 0.000 0.334 514 I C -0.389 175.668 176.117 -0.099 0.000 1.371 514 I CA -0.039 61.246 61.300 -0.024 0.000 1.110 514 I CB 0.460 38.463 38.000 0.005 0.000 1.085 514 I HN 0.521 nan 8.210 nan 0.000 0.398 515 D N 1.583 121.854 120.400 -0.213 0.000 2.419 515 D HA 0.156 4.796 4.640 -0.000 0.000 0.219 515 D C 0.376 176.496 176.300 -0.301 0.000 1.349 515 D CA -0.357 53.532 54.000 -0.185 0.000 0.964 515 D CB 1.576 42.313 40.800 -0.105 0.000 1.463 515 D HN 0.133 nan 8.370 nan 0.000 0.573 516 R N 2.982 123.300 120.500 -0.302 0.000 2.119 516 R HA 0.028 4.368 4.340 -0.000 0.000 0.222 516 R C 1.783 178.041 176.300 -0.071 0.000 1.088 516 R CA 0.524 56.407 56.100 -0.363 0.000 0.984 516 R CB 0.050 30.204 30.300 -0.244 0.000 0.884 516 R HN 0.389 nan 8.270 nan 0.000 0.447 517 L N 1.367 122.571 121.223 -0.031 0.000 2.042 517 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 517 L C 0.926 177.837 176.870 0.069 0.000 1.076 517 L CA 1.838 56.696 54.840 0.030 0.000 0.749 517 L CB -0.218 41.849 42.059 0.013 0.000 0.893 517 L HN 0.249 nan 8.230 nan 0.000 0.432 518 N N -2.306 116.423 118.700 0.048 0.000 2.236 518 N HA -0.050 4.690 4.740 -0.000 0.000 0.196 518 N C -0.522 175.083 175.510 0.159 0.000 1.114 518 N CA 0.140 53.240 53.050 0.083 0.000 0.859 518 N CB 0.025 38.539 38.487 0.044 0.000 0.982 518 N HN 0.357 nan 8.380 nan 0.000 0.493 519 W N 1.674 122.960 121.300 -0.022 0.000 6.880 519 W HA -0.224 4.436 4.660 -0.000 0.000 0.423 519 W C -0.622 175.853 176.519 -0.073 0.000 1.695 519 W CA 0.072 57.395 57.345 -0.036 0.000 1.126 519 W CB -1.337 28.113 29.460 -0.015 0.000 2.925 519 W HN -0.273 nan 8.180 nan 0.000 1.530 520 V N 2.294 122.160 119.914 -0.080 0.000 2.472 520 V HA 0.580 4.700 4.120 -0.000 0.000 0.290 520 V C 0.660 176.558 176.094 -0.327 0.000 1.037 520 V CA -0.451 61.751 62.300 -0.163 0.000 0.908 520 V CB 1.834 33.573 31.823 -0.140 0.000 0.985 520 V HN 0.096 nan 8.190 nan 0.000 0.454 521 S N 2.238 117.608 115.700 -0.549 0.000 2.715 521 S HA 0.940 5.410 4.470 -0.000 0.000 0.307 521 S C -0.435 173.732 174.600 -0.722 0.000 1.119 521 S CA -0.499 57.328 58.200 -0.622 0.000 0.937 521 S CB 2.032 64.857 63.200 -0.625 0.000 1.150 521 S HN 1.102 nan 8.310 nan 0.000 0.521 522 A N 0.188 122.771 122.820 -0.394 0.000 2.427 522 A HA 0.917 5.237 4.320 -0.000 0.000 0.298 522 A C -0.234 177.208 177.584 -0.237 0.000 1.036 522 A CA -0.311 51.535 52.037 -0.319 0.000 0.701 522 A CB 1.362 20.275 19.000 -0.145 0.000 1.250 522 A HN 1.255 nan 8.150 nan 0.000 0.412 523 G N -0.500 108.068 108.800 -0.387 0.000 2.506 523 G HA2 0.574 4.534 3.960 -0.000 0.000 0.292 523 G HA3 0.574 4.534 3.960 -0.000 0.000 0.292 523 G C -1.813 172.893 174.900 -0.323 0.000 1.425 523 G CA -0.328 44.621 45.100 -0.250 0.000 0.788 523 G HN 1.193 nan 8.290 nan 0.000 0.490 524 V N 1.066 120.896 119.914 -0.139 0.000 2.398 524 V HA 0.626 4.746 4.120 -0.000 0.000 0.286 524 V C -0.595 175.488 176.094 -0.019 0.000 1.026 524 V CA -0.621 61.628 62.300 -0.086 0.000 0.868 524 V CB 0.578 32.388 31.823 -0.021 0.000 0.982 524 V HN 0.844 nan 8.190 nan 0.000 0.443 525 Y N 3.688 123.919 120.300 -0.115 0.000 2.468 525 Y HA 0.801 5.351 4.550 -0.000 0.000 0.342 525 Y C -0.746 175.106 175.900 -0.080 0.000 1.021 525 Y CA -1.663 56.367 58.100 -0.116 0.000 1.079 525 Y CB 1.267 39.628 38.460 -0.165 0.000 1.226 525 Y HN 0.428 nan 8.280 nan 0.000 0.460 526 L N 3.979 125.208 121.223 0.010 0.000 2.325 526 L HA 0.217 4.557 4.340 -0.000 0.000 0.284 526 L C 0.040 176.943 176.870 0.056 0.000 1.089 526 L CA -0.318 54.495 54.840 -0.044 0.000 0.836 526 L CB 0.332 42.383 42.059 -0.013 0.000 1.184 526 L HN 0.698 nan 8.230 nan 0.000 0.444 527 N N 2.738 121.418 118.700 -0.033 0.000 3.050 527 N HA 0.105 4.844 4.740 -0.000 0.000 0.289 527 N C -0.856 174.694 175.510 0.067 0.000 1.209 527 N CA 0.217 53.338 53.050 0.118 0.000 1.154 527 N CB 0.291 38.813 38.487 0.060 0.000 1.444 527 N HN 0.605 nan 8.380 nan 0.000 0.529 528 S N 1.546 117.278 115.700 0.053 0.000 2.542 528 S HA 0.345 4.815 4.470 -0.000 0.000 0.276 528 S C 0.301 174.902 174.600 0.002 0.000 1.148 528 S CA -0.741 57.475 58.200 0.028 0.000 0.886 528 S CB 0.635 63.839 63.200 0.006 0.000 1.109 528 S HN 0.345 nan 8.310 nan 0.000 0.458 529 N N 2.126 120.837 118.700 0.018 0.000 2.173 529 N HA 0.136 4.876 4.740 -0.000 0.000 0.184 529 N C 0.891 176.389 175.510 -0.020 0.000 1.025 529 N CA 1.188 54.243 53.050 0.008 0.000 0.852 529 N CB -0.000 38.522 38.487 0.058 0.000 0.998 529 N HN 0.712 nan 8.380 nan 0.000 0.427 530 Q N -0.755 119.038 119.800 -0.012 0.000 2.093 530 Q HA 0.179 4.519 4.340 -0.000 0.000 0.217 530 Q C -0.693 175.289 176.000 -0.031 0.000 0.785 530 Q CA -0.067 55.722 55.803 -0.023 0.000 1.038 530 Q CB 1.392 30.125 28.738 -0.009 0.000 1.190 530 Q HN 0.263 nan 8.270 nan 0.000 0.468 531 T N -3.112 111.426 114.554 -0.028 0.000 2.900 531 T HA 0.697 5.047 4.350 -0.000 0.000 0.295 531 T C -0.453 174.228 174.700 -0.032 0.000 1.044 531 T CA -0.921 61.161 62.100 -0.031 0.000 0.995 531 T CB 1.988 70.845 68.868 -0.018 0.000 1.072 531 T HN 0.033 nan 8.240 nan 0.000 0.473 532 A N 2.322 125.120 122.820 -0.036 0.000 2.805 532 A HA 0.566 4.886 4.320 -0.000 0.000 0.301 532 A C 0.227 177.809 177.584 -0.003 0.000 1.557 532 A CA -0.291 51.730 52.037 -0.025 0.000 1.254 532 A CB -0.687 18.292 19.000 -0.035 0.000 1.114 532 A HN 0.816 nan 8.150 nan 0.000 0.553 533 E N 0.879 121.076 120.200 -0.005 0.000 2.429 533 E HA 0.340 4.689 4.350 -0.000 0.000 0.276 533 E C -0.745 175.843 176.600 -0.020 0.000 0.953 533 E CA -1.206 55.193 56.400 -0.002 0.000 0.787 533 E CB 1.251 30.950 29.700 -0.001 0.000 1.307 533 E HN 0.499 nan 8.360 nan 0.000 0.458 534 N N 1.523 120.207 118.700 -0.027 0.000 2.688 534 N HA -0.082 4.658 4.740 -0.000 0.000 0.261 534 N C -2.755 172.678 175.510 -0.127 0.000 1.116 534 N CA 0.061 53.075 53.050 -0.059 0.000 0.689 534 N CB -0.480 37.981 38.487 -0.043 0.000 0.882 534 N HN 0.180 nan 8.380 nan 0.000 0.554 535 P HA 0.246 nan 4.420 nan 0.000 0.276 535 P C -0.486 176.654 177.300 -0.268 0.000 1.230 535 P CA -0.180 62.807 63.100 -0.187 0.000 0.776 535 P CB 1.246 32.878 31.700 -0.114 0.000 0.888 536 V N 5.169 124.826 119.914 -0.428 0.000 2.525 536 V HA 0.261 4.381 4.120 -0.000 0.000 0.299 536 V C -0.349 175.576 176.094 -0.281 0.000 1.034 536 V CA -0.701 61.345 62.300 -0.422 0.000 0.863 536 V CB 1.501 32.888 31.823 -0.727 0.000 0.999 536 V HN 0.443 nan 8.190 nan 0.000 0.423 537 F N 4.859 124.677 119.950 -0.221 0.000 2.467 537 F HA 0.666 5.193 4.527 -0.000 0.000 0.362 537 F C 0.459 176.272 175.800 0.022 0.000 1.090 537 F CA 0.153 58.094 58.000 -0.098 0.000 1.202 537 F CB 0.666 39.591 39.000 -0.124 0.000 1.113 537 F HN 0.598 nan 8.300 nan 0.000 0.541 538 A N 5.215 127.859 122.820 -0.294 0.000 2.435 538 A HA 0.784 5.104 4.320 -0.000 0.000 0.304 538 A C -1.752 175.757 177.584 -0.125 0.000 1.064 538 A CA -0.711 51.326 52.037 -0.000 0.000 0.727 538 A CB 1.672 20.835 19.000 0.273 0.000 1.284 538 A HN 0.539 nan 8.150 nan 0.000 0.415 539 V N 2.194 122.057 119.914 -0.085 0.000 2.444 539 V HA 0.704 4.824 4.120 -0.000 0.000 0.294 539 V C -1.030 174.941 176.094 -0.206 0.000 1.022 539 V CA -0.276 61.865 62.300 -0.265 0.000 0.850 539 V CB 0.548 32.090 31.823 -0.468 0.000 0.992 539 V HN 0.891 nan 8.190 nan 0.000 0.426 540 F N 2.343 122.171 119.950 -0.203 0.000 2.601 540 F HA 0.791 5.318 4.527 -0.000 0.000 0.309 540 F C -0.474 175.304 175.800 -0.037 0.000 1.089 540 F CA -1.205 56.718 58.000 -0.128 0.000 0.940 540 F CB 1.442 40.380 39.000 -0.103 0.000 1.273 540 F HN 0.227 nan 8.300 nan 0.000 0.450 541 K N 0.892 121.385 120.400 0.154 0.000 2.362 541 K HA 0.213 4.533 4.320 -0.000 0.000 0.245 541 K C 0.104 176.870 176.600 0.277 0.000 1.040 541 K CA -0.581 55.806 56.287 0.167 0.000 0.961 541 K CB 0.514 33.077 32.500 0.104 0.000 1.252 541 K HN 0.643 nan 8.250 nan 0.000 0.503 542 D N 0.749 121.267 120.400 0.197 0.000 2.149 542 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 542 D C 0.493 176.847 176.300 0.091 0.000 0.990 542 D CA 1.496 55.582 54.000 0.144 0.000 0.839 542 D CB 0.020 40.853 40.800 0.055 0.000 0.948 542 D HN 0.345 nan 8.370 nan 0.000 0.460 543 N N 0.169 118.910 118.700 0.069 0.000 2.291 543 N HA 0.116 4.856 4.740 -0.000 0.000 0.244 543 N C -0.729 174.795 175.510 0.024 0.000 1.216 543 N CA -0.002 53.066 53.050 0.030 0.000 0.879 543 N CB 1.833 40.330 38.487 0.017 0.000 1.167 543 N HN 0.242 nan 8.380 nan 0.000 0.515 544 E N 0.600 120.828 120.200 0.046 0.000 2.451 544 E HA 0.258 4.608 4.350 -0.000 0.000 0.295 544 E C -1.407 175.229 176.600 0.061 0.000 0.966 544 E CA -0.388 56.034 56.400 0.037 0.000 0.808 544 E CB 1.629 31.352 29.700 0.039 0.000 1.242 544 E HN 0.009 nan 8.360 nan 0.000 0.412 545 I N 6.378 126.964 120.570 0.028 0.000 2.312 545 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 545 I C 1.205 177.326 176.117 0.007 0.000 1.031 545 I CA -0.246 61.075 61.300 0.035 0.000 1.293 545 I CB 0.786 38.792 38.000 0.011 0.000 1.403 545 I HN 0.612 nan 8.210 nan 0.000 0.484 546 L N 6.845 128.020 121.223 -0.081 0.000 2.007 546 L HA -0.014 4.326 4.340 -0.000 0.000 0.205 546 L C -0.051 176.837 176.870 0.030 0.000 1.073 546 L CA 1.121 55.905 54.840 -0.093 0.000 0.744 546 L CB -0.288 41.599 42.059 -0.287 0.000 0.898 546 L HN 0.573 nan 8.230 nan 0.000 0.435 547 Y N -1.269 119.081 120.300 0.083 0.000 2.571 547 Y HA 0.638 5.188 4.550 -0.000 0.000 0.341 547 Y C -0.714 175.255 175.900 0.116 0.000 1.076 547 Y CA -1.464 56.685 58.100 0.081 0.000 1.029 547 Y CB 0.992 39.486 38.460 0.057 0.000 1.308 547 Y HN 0.083 nan 8.280 nan 0.000 0.461 548 Q N 0.762 120.722 119.800 0.266 0.000 2.630 548 Q HA 0.835 5.175 4.340 -0.000 0.000 0.295 548 Q C -2.393 173.710 176.000 0.171 0.000 0.944 548 Q CA -1.269 54.667 55.803 0.221 0.000 0.766 548 Q CB 2.926 31.777 28.738 0.188 0.000 1.471 548 Q HN 0.957 nan 8.270 nan 0.000 0.416 549 V N 0.829 120.826 119.914 0.139 0.000 2.891 549 V HA 0.518 4.638 4.120 -0.000 0.000 0.304 549 V C -2.843 173.250 176.094 -0.001 0.000 1.171 549 V CA -1.752 60.585 62.300 0.062 0.000 0.943 549 V CB 2.627 34.477 31.823 0.046 0.000 1.037 549 V HN 0.739 nan 8.190 nan 0.000 0.427 550 P HA 0.333 nan 4.420 nan 0.000 0.271 550 P C 0.521 177.757 177.300 -0.107 0.000 1.216 550 P CA 0.061 63.113 63.100 -0.081 0.000 0.776 550 P CB 0.821 32.489 31.700 -0.054 0.000 0.881 551 L N 1.036 122.154 121.223 -0.175 0.000 2.253 551 L HA 0.170 4.510 4.340 -0.000 0.000 0.205 551 L C 1.392 178.205 176.870 -0.095 0.000 1.078 551 L CA 0.866 55.541 54.840 -0.276 0.000 0.805 551 L CB -0.349 41.359 42.059 -0.584 0.000 0.963 551 L HN 0.419 nan 8.230 nan 0.000 0.459 552 A N -0.875 121.912 122.820 -0.056 0.000 3.837 552 A HA 0.504 4.824 4.320 -0.000 0.000 0.159 552 A C -0.030 177.551 177.584 -0.005 0.000 1.157 552 A CA -0.516 51.525 52.037 0.008 0.000 0.890 552 A CB 0.437 19.451 19.000 0.023 0.000 1.553 552 A HN -0.053 nan 8.150 nan 0.000 0.642 553 E N -0.261 119.941 120.200 0.004 0.000 4.034 553 E HA 0.200 4.550 4.350 -0.000 0.000 0.297 553 E C -0.024 176.571 176.600 -0.008 0.000 1.372 553 E CA -0.241 56.160 56.400 0.001 0.000 1.555 553 E CB -0.106 29.599 29.700 0.009 0.000 1.488 553 E HN 0.497 nan 8.360 nan 0.000 0.782 554 D N 0.260 120.659 120.400 -0.003 0.000 2.216 554 D HA -0.075 4.565 4.640 -0.000 0.000 0.208 554 D C 0.455 176.755 176.300 0.000 0.000 0.960 554 D CA 0.866 54.864 54.000 -0.003 0.000 0.861 554 D CB -0.009 40.793 40.800 0.003 0.000 0.985 554 D HN 0.328 nan 8.370 nan 0.000 0.493 555 D N -0.117 120.287 120.400 0.005 0.000 2.587 555 D HA 0.022 4.662 4.640 -0.000 0.000 0.233 555 D C -0.479 175.829 176.300 0.014 0.000 1.213 555 D CA -0.211 53.795 54.000 0.009 0.000 0.827 555 D CB -0.580 40.226 40.800 0.010 0.000 1.006 555 D HN -0.226 nan 8.370 nan 0.000 0.490 556 T N 1.000 115.562 114.554 0.013 0.000 2.743 556 T HA 0.235 4.585 4.350 -0.000 0.000 0.293 556 T C 0.121 174.840 174.700 0.031 0.000 0.945 556 T CA -0.666 61.448 62.100 0.024 0.000 1.030 556 T CB 0.608 69.490 68.868 0.024 0.000 0.912 556 T HN 0.026 nan 8.240 nan 0.000 0.483 557 N N 2.243 120.973 118.700 0.050 0.000 2.518 557 N HA 0.565 5.305 4.740 -0.000 0.000 0.266 557 N C -0.428 175.146 175.510 0.106 0.000 1.196 557 N CA -0.093 52.999 53.050 0.068 0.000 0.947 557 N CB 0.695 39.231 38.487 0.082 0.000 1.098 557 N HN 0.860 nan 8.380 nan 0.000 0.450 558 A N 1.096 123.980 122.820 0.108 0.000 2.577 558 A HA 0.543 4.863 4.320 -0.000 0.000 0.297 558 A C -0.468 177.195 177.584 0.133 0.000 1.060 558 A CA -0.513 51.606 52.037 0.138 0.000 0.697 558 A CB 1.256 20.299 19.000 0.072 0.000 1.281 558 A HN 0.528 nan 8.150 nan 0.000 0.402 559 Q N 0.616 120.535 119.800 0.198 0.000 3.062 559 Q HA 0.427 4.767 4.340 -0.000 0.000 0.214 559 Q C -0.363 175.728 176.000 0.152 0.000 1.160 559 Q CA 0.120 56.014 55.803 0.151 0.000 0.318 559 Q CB 0.028 28.873 28.738 0.178 0.000 5.730 559 Q HN 0.701 nan 8.270 nan 0.000 0.318 560 K N 0.967 121.479 120.400 0.187 0.000 2.382 560 K HA 0.291 4.611 4.320 -0.000 0.000 0.275 560 K C -0.775 175.939 176.600 0.190 0.000 1.009 560 K CA 0.395 56.810 56.287 0.214 0.000 0.970 560 K CB 0.538 33.156 32.500 0.197 0.000 0.934 560 K HN 0.487 nan 8.250 nan 0.000 0.479 561 T N -0.101 114.585 114.554 0.219 0.000 2.928 561 T HA 0.581 4.931 4.350 -0.000 0.000 0.296 561 T C -0.463 174.349 174.700 0.185 0.000 1.000 561 T CA -0.885 61.308 62.100 0.156 0.000 0.989 561 T CB 0.394 69.308 68.868 0.077 0.000 1.005 561 T HN 0.374 nan 8.240 nan 0.000 0.442 562 I N 3.000 123.674 120.570 0.175 0.000 2.439 562 I HA 0.415 4.585 4.170 -0.000 0.000 0.285 562 I C -0.266 175.918 176.117 0.113 0.000 1.021 562 I CA -0.746 60.665 61.300 0.186 0.000 1.091 562 I CB 2.274 40.393 38.000 0.198 0.000 1.242 562 I HN 0.672 nan 8.210 nan 0.000 0.439 563 T N 3.950 118.544 114.554 0.065 0.000 2.807 563 T HA 0.440 4.790 4.350 -0.000 0.000 0.279 563 T C -0.888 173.818 174.700 0.010 0.000 0.993 563 T CA -0.633 61.504 62.100 0.062 0.000 0.970 563 T CB 1.644 70.547 68.868 0.059 0.000 0.950 563 T HN 0.359 nan 8.240 nan 0.000 0.441 564 D N 1.204 121.559 120.400 -0.075 0.000 2.780 564 D HA 0.512 5.152 4.640 -0.000 0.000 0.242 564 D C -0.854 175.167 176.300 -0.465 0.000 1.135 564 D CA -0.176 53.603 54.000 -0.368 0.000 0.859 564 D CB 1.819 42.556 40.800 -0.105 0.000 1.530 564 D HN 0.519 nan 8.370 nan 0.000 0.493 565 c N 2.048 119.927 118.600 -1.202 0.000 2.614 565 c HA 0.911 5.481 4.570 -0.000 0.000 0.320 565 c C -0.689 173.219 174.090 -0.303 0.000 1.200 565 c CA -0.821 55.124 56.329 -0.639 0.000 1.700 565 c CB 0.426 42.650 42.510 -0.477 0.000 2.275 565 c HN 0.641 nan 8.230 nan 0.000 0.492 566 F N -1.067 118.801 119.950 -0.137 0.000 2.770 566 F HA 0.692 5.219 4.527 -0.000 0.000 0.313 566 F C -1.771 174.069 175.800 0.067 0.000 1.154 566 F CA -1.388 56.598 58.000 -0.023 0.000 0.923 566 F CB 0.382 39.356 39.000 -0.043 0.000 1.301 566 F HN 0.319 nan 8.300 nan 0.000 0.449 567 L N 2.482 123.862 121.223 0.261 0.000 2.326 567 L HA 0.533 4.873 4.340 -0.000 0.000 0.278 567 L C -0.726 176.326 176.870 0.303 0.000 1.092 567 L CA -0.794 54.162 54.840 0.194 0.000 0.810 567 L CB 1.582 43.724 42.059 0.138 0.000 1.153 567 L HN 0.704 nan 8.230 nan 0.000 0.439 568 L N 4.488 125.873 121.223 0.270 0.000 2.366 568 L HA 0.323 4.663 4.340 -0.000 0.000 0.266 568 L C 0.232 177.195 176.870 0.155 0.000 1.010 568 L CA 0.190 55.153 54.840 0.205 0.000 0.879 568 L CB 0.035 42.157 42.059 0.104 0.000 1.228 568 L HN 0.782 nan 8.230 nan 0.000 0.439 569 E N 1.609 121.869 120.200 0.101 0.000 3.130 569 E HA -0.351 3.999 4.350 -0.000 0.000 0.381 569 E C 0.063 176.710 176.600 0.079 0.000 1.488 569 E CA 1.462 57.907 56.400 0.076 0.000 1.362 569 E CB -0.756 28.983 29.700 0.064 0.000 1.656 569 E HN 0.724 nan 8.360 nan 0.000 0.504 570 N N 0.717 119.460 118.700 0.071 0.000 2.463 570 N HA 0.062 4.802 4.740 -0.000 0.000 0.181 570 N C -0.056 175.484 175.510 0.050 0.000 1.078 570 N CA 0.545 53.626 53.050 0.051 0.000 0.902 570 N CB 0.398 38.905 38.487 0.033 0.000 0.970 570 N HN 0.042 nan 8.380 nan 0.000 0.451 571 V N 2.167 122.134 119.914 0.088 0.000 2.427 571 V HA 0.347 4.467 4.120 -0.000 0.000 0.286 571 V C 0.540 176.656 176.094 0.037 0.000 1.034 571 V CA -0.782 61.542 62.300 0.040 0.000 0.893 571 V CB 2.068 33.929 31.823 0.063 0.000 0.982 571 V HN -0.028 nan 8.190 nan 0.000 0.452 572 I N 3.995 124.506 120.570 -0.097 0.000 2.471 572 I HA 0.162 4.332 4.170 -0.000 0.000 0.286 572 I C -0.535 175.381 176.117 -0.336 0.000 1.079 572 I CA 0.407 61.622 61.300 -0.141 0.000 1.398 572 I CB 0.507 38.436 38.000 -0.118 0.000 1.403 572 I HN 0.587 nan 8.210 nan 0.000 0.530 573 W N 5.446 126.434 121.300 -0.520 0.000 2.761 573 W HA 0.514 5.174 4.660 0.000 0.000 0.340 573 W C -0.798 175.249 176.519 -0.787 0.000 1.072 573 W CA -0.221 56.731 57.345 -0.654 0.000 1.215 573 W CB 1.735 30.698 29.460 -0.828 0.000 1.420 573 W HN 0.318 nan 8.180 nan 0.000 0.519 574 c N 3.511 121.998 118.600 -0.188 0.000 2.498 574 c HA 0.644 5.214 4.570 -0.000 0.000 0.316 574 c C -0.092 174.033 174.090 0.058 0.000 1.209 574 c CA -0.799 55.475 56.329 -0.090 0.000 1.518 574 c CB 0.172 42.735 42.510 0.088 0.000 2.147 574 c HN 0.416 nan 8.230 nan 0.000 0.483 575 I N 2.406 123.055 120.570 0.132 0.000 2.377 575 I HA 0.406 4.576 4.170 -0.000 0.000 0.293 575 I C -0.018 176.175 176.117 0.126 0.000 0.987 575 I CA 0.357 61.742 61.300 0.141 0.000 1.185 575 I CB 1.531 39.618 38.000 0.145 0.000 1.341 575 I HN 0.586 nan 8.210 nan 0.000 0.455 576 S N 6.847 122.638 115.700 0.152 0.000 2.756 576 S HA 0.421 4.891 4.470 -0.000 0.000 0.303 576 S C -0.560 174.148 174.600 0.180 0.000 1.135 576 S CA -0.492 57.819 58.200 0.186 0.000 1.066 576 S CB 1.373 64.734 63.200 0.269 0.000 1.008 576 S HN 0.472 nan 8.310 nan 0.000 0.482 577 L N 5.249 126.545 121.223 0.121 0.000 2.315 577 L HA 0.581 4.921 4.340 -0.000 0.000 0.283 577 L C -1.229 175.727 176.870 0.143 0.000 1.089 577 L CA -0.194 54.707 54.840 0.102 0.000 0.833 577 L CB 0.371 42.477 42.059 0.078 0.000 1.170 577 L HN 0.376 nan 8.230 nan 0.000 0.442 578 V N 5.208 125.226 119.914 0.173 0.000 2.407 578 V HA 0.266 4.386 4.120 -0.000 0.000 0.291 578 V C -0.095 176.063 176.094 0.108 0.000 1.018 578 V CA -0.781 61.616 62.300 0.161 0.000 0.842 578 V CB 1.541 33.490 31.823 0.209 0.000 0.996 578 V HN 0.711 nan 8.190 nan 0.000 0.426 579 E N 5.044 125.292 120.200 0.081 0.000 2.415 579 E HA 0.280 4.630 4.350 -0.000 0.000 0.260 579 E C -0.805 175.795 176.600 0.001 0.000 1.016 579 E CA 0.315 56.717 56.400 0.002 0.000 0.924 579 E CB 0.765 30.543 29.700 0.128 0.000 0.961 579 E HN 0.506 nan 8.360 nan 0.000 0.459 580 I N 4.399 124.886 120.570 -0.137 0.000 2.468 580 I HA 0.239 4.409 4.170 -0.000 0.000 0.284 580 I C -0.826 175.201 176.117 -0.149 0.000 1.038 580 I CA -0.555 60.720 61.300 -0.042 0.000 1.083 580 I CB 0.674 38.688 38.000 0.023 0.000 1.223 580 I HN 0.468 nan 8.210 nan 0.000 0.443 581 Y N 2.894 123.210 120.300 0.027 0.000 2.732 581 Y HA 0.300 4.850 4.550 -0.000 0.000 0.327 581 Y C 1.132 177.040 175.900 0.013 0.000 1.162 581 Y CA -0.334 57.776 58.100 0.016 0.000 1.238 581 Y CB 0.673 39.139 38.460 0.010 0.000 1.443 581 Y HN 0.500 nan 8.280 nan 0.000 0.584 582 D N -0.677 119.856 120.400 0.221 0.000 3.070 582 D HA -0.210 4.430 4.640 -0.000 0.000 0.220 582 D C 1.302 177.646 176.300 0.073 0.000 1.176 582 D CA 1.540 55.609 54.000 0.115 0.000 0.924 582 D CB -0.990 39.865 40.800 0.091 0.000 1.124 582 D HN 0.778 nan 8.370 nan 0.000 0.411 583 T N -4.088 110.503 114.554 0.063 0.000 3.023 583 T HA 0.254 4.604 4.350 -0.000 0.000 0.266 583 T C 1.786 176.503 174.700 0.028 0.000 1.093 583 T CA 1.704 63.827 62.100 0.038 0.000 1.129 583 T CB 0.500 69.382 68.868 0.024 0.000 0.899 583 T HN 0.600 nan 8.240 nan 0.000 0.491 584 G N 0.997 109.814 108.800 0.029 0.000 2.179 584 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.220 584 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.220 584 G C -0.297 174.611 174.900 0.013 0.000 0.990 584 G CA -0.071 45.041 45.100 0.020 0.000 0.646 584 G HN 0.576 nan 8.290 nan 0.000 0.517 585 D N 0.736 121.142 120.400 0.010 0.000 2.423 585 D HA 0.386 5.026 4.640 -0.000 0.000 0.238 585 D C 1.930 178.232 176.300 0.002 0.000 1.142 585 D CA 0.717 54.717 54.000 0.001 0.000 0.884 585 D CB 1.263 42.058 40.800 -0.009 0.000 1.199 585 D HN 0.390 nan 8.370 nan 0.000 0.438 586 S N 0.190 115.888 115.700 -0.003 0.000 2.428 586 S HA -0.023 4.447 4.470 -0.000 0.000 0.230 586 S C 0.758 175.354 174.600 -0.006 0.000 1.014 586 S CA 0.074 58.273 58.200 -0.002 0.000 0.957 586 S CB 0.255 63.452 63.200 -0.005 0.000 0.784 586 S HN 0.222 nan 8.310 nan 0.000 0.499 587 V N 2.389 122.295 119.914 -0.014 0.000 2.349 587 V HA 0.466 4.586 4.120 -0.000 0.000 0.284 587 V C -0.824 175.250 176.094 -0.033 0.000 1.014 587 V CA -0.768 61.517 62.300 -0.024 0.000 0.826 587 V CB 1.027 32.831 31.823 -0.031 0.000 1.009 587 V HN 0.271 nan 8.190 nan 0.000 0.431 588 I N 6.626 127.176 120.570 -0.034 0.000 2.337 588 I HA 0.497 4.667 4.170 -0.000 0.000 0.291 588 I C 0.510 176.557 176.117 -0.117 0.000 1.046 588 I CA 0.421 61.680 61.300 -0.068 0.000 1.324 588 I CB 0.436 38.417 38.000 -0.033 0.000 1.409 588 I HN 0.739 nan 8.210 nan 0.000 0.494 589 R N 5.994 126.418 120.500 -0.126 0.000 2.740 589 R HA 0.794 5.134 4.340 -0.000 0.000 0.273 589 R C -3.066 173.170 176.300 -0.106 0.000 0.998 589 R CA -1.867 54.165 56.100 -0.113 0.000 0.900 589 R CB 0.899 31.168 30.300 -0.050 0.000 1.223 589 R HN 0.117 nan 8.270 nan 0.000 0.466 590 P HA 0.132 nan 4.420 nan 0.000 0.272 590 P C -1.203 176.098 177.300 0.001 0.000 1.240 590 P CA -0.462 62.617 63.100 -0.034 0.000 0.791 590 P CB 0.509 32.223 31.700 0.024 0.000 0.978 591 K N 1.139 121.535 120.400 -0.006 0.000 2.292 591 K HA 0.507 4.827 4.320 -0.000 0.000 0.257 591 K C -1.018 175.481 176.600 -0.169 0.000 0.940 591 K CA -0.798 55.421 56.287 -0.113 0.000 0.811 591 K CB 1.188 33.595 32.500 -0.154 0.000 1.120 591 K HN 0.209 nan 8.250 nan 0.000 0.428 592 L N 3.767 124.777 121.223 -0.355 0.000 2.287 592 L HA 0.438 4.778 4.340 -0.000 0.000 0.287 592 L C -0.899 175.740 176.870 -0.386 0.000 1.022 592 L CA -0.083 54.553 54.840 -0.341 0.000 0.814 592 L CB 0.329 41.998 42.059 -0.651 0.000 1.217 592 L HN 0.463 nan 8.230 nan 0.000 0.420 593 F N 1.962 121.861 119.950 -0.086 0.000 2.458 593 F HA 0.767 5.294 4.527 -0.000 0.000 0.330 593 F C 0.442 176.208 175.800 -0.056 0.000 1.082 593 F CA -0.739 57.221 58.000 -0.066 0.000 0.995 593 F CB 1.686 40.644 39.000 -0.070 0.000 1.170 593 F HN 0.455 nan 8.300 nan 0.000 0.478 594 A N 2.344 125.257 122.820 0.154 0.000 2.318 594 A HA 0.792 5.112 4.320 -0.000 0.000 0.317 594 A C -1.422 176.255 177.584 0.155 0.000 1.159 594 A CA -0.628 51.519 52.037 0.184 0.000 0.799 594 A CB 0.923 20.040 19.000 0.195 0.000 1.194 594 A HN 0.535 nan 8.150 nan 0.000 0.479 595 V N 2.925 122.838 119.914 -0.003 0.000 2.531 595 V HA 0.379 4.499 4.120 -0.000 0.000 0.301 595 V C 0.102 175.879 176.094 -0.529 0.000 1.034 595 V CA -0.839 61.263 62.300 -0.329 0.000 0.865 595 V CB 1.736 33.085 31.823 -0.791 0.000 0.995 595 V HN 0.913 nan 8.190 nan 0.000 0.424 596 K N 4.955 124.837 120.400 -0.863 0.000 2.258 596 K HA 0.401 4.721 4.320 -0.000 0.000 0.284 596 K C -0.642 175.596 176.600 -0.604 0.000 1.051 596 K CA -0.609 54.949 56.287 -1.215 0.000 0.923 596 K CB 0.665 32.417 32.500 -1.247 0.000 1.046 596 K HN 0.486 nan 8.250 nan 0.000 0.474 597 I N 6.908 127.191 120.570 -0.479 0.000 2.416 597 I HA 0.197 4.367 4.170 -0.000 0.000 0.288 597 I C -1.952 174.036 176.117 -0.215 0.000 1.051 597 I CA -2.817 58.357 61.300 -0.209 0.000 1.375 597 I CB 0.437 38.378 38.000 -0.098 0.000 1.407 597 I HN 0.527 nan 8.210 nan 0.000 0.516 598 P HA 0.321 nan 4.420 nan 0.000 0.282 598 P C 0.127 177.339 177.300 -0.146 0.000 1.249 598 P CA -0.412 62.565 63.100 -0.204 0.000 0.806 598 P CB 1.307 32.838 31.700 -0.281 0.000 0.984 599 A N 2.164 124.910 122.820 -0.123 0.000 1.887 599 A HA 0.016 4.336 4.320 -0.000 0.000 0.212 599 A C 0.936 178.474 177.584 -0.077 0.000 1.198 599 A CA 1.082 53.071 52.037 -0.081 0.000 0.628 599 A CB -0.687 18.274 19.000 -0.065 0.000 0.847 599 A HN 0.583 nan 8.150 nan 0.000 0.449 600 Q N -1.784 117.961 119.800 -0.091 0.000 2.260 600 Q HA 0.407 4.747 4.340 -0.000 0.000 0.238 600 Q C 0.310 176.237 176.000 -0.122 0.000 0.948 600 Q CA -0.058 55.696 55.803 -0.083 0.000 0.895 600 Q CB 1.268 29.964 28.738 -0.069 0.000 1.218 600 Q HN 0.424 nan 8.270 nan 0.000 0.470 601 c N -0.227 118.314 118.600 -0.098 0.000 2.926 601 c HA 0.179 4.749 4.570 -0.000 0.000 0.272 601 c C 0.737 174.768 174.090 -0.099 0.000 1.249 601 c CA -0.099 56.157 56.329 -0.120 0.000 1.691 601 c CB -0.765 41.707 42.510 -0.063 0.000 1.983 601 c HN 0.833 nan 8.230 nan 0.000 0.615 602 S N 0.493 116.148 115.700 -0.076 0.000 2.681 602 S HA 0.589 5.059 4.470 -0.000 0.000 0.270 602 S C -0.348 174.210 174.600 -0.070 0.000 1.209 602 S CA -0.211 57.954 58.200 -0.059 0.000 0.988 602 S CB 0.721 63.897 63.200 -0.041 0.000 1.006 602 S HN 0.650 nan 8.310 nan 0.000 0.558 603 E N 0.000 120.168 120.200 -0.054 0.000 2.725 603 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 603 E CA 0.000 56.368 56.400 -0.053 0.000 0.976 603 E CB 0.000 29.668 29.700 -0.054 0.000 0.812 603 E HN 0.000 nan 8.360 nan 0.000 0.440