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 2w8s_1_C DATA FIRST_RESID 2 DATA SEQUENCE TRKNVLLIVV DQWRADFIPH LMRAEGREPF LKTPNLDRLC REGLTFRNHV DATA SEQUENCE TTCVPCGPAR ASLLTGLYLM NHRAVQNTVP LDQRHLNLGK ALRAIGYDPA DATA SEQUENCE LIGYTTTTPD PRTTSARDPR FTVLGDIMDG FRSVGAFEPN MEGYFGWVAQ DATA SEQUENCE NGFELPENRE DIWLPEGEHS VPGATDKPSR IPKEFSDSTF FTERALTYLK DATA SEQUENCE GRDGKPFFLH LGYYRPHPPF VASAPYHAMY KAEDMPAPIR AENPDAEAAQ DATA SEQUENCE HPLMKHYIDH IRRGSFFHGA EGSGATLDEG EIRQMRATYC GLITEIDDCL DATA SEQUENCE GRVFAYLDET GQWDDTLIIF TSDHGEQLGD HHLLGKIGYN AESFRIPLVI DATA SEQUENCE KDAGQNRHAG QIEEGFSESI DVMPTILEWL GGETPRACDG RSLLPFLAEG DATA SEQUENCE KPSDWRTELH YEFDFRDVFY DQPQNSVQLS QDDCSLCVIE DENYKYVHFA DATA SEQUENCE ALPPLFFDLK ADPHEFSNLA GDPAYAALVR DYAQKALSWR LSHADRTLTH DATA SEQUENCE YRSSPQGLTT RNH 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.695 174.700 -0.008 0.000 1.109 2 T CA 0.000 62.090 62.100 -0.017 0.000 1.349 2 T CB 0.000 68.864 68.868 -0.008 0.000 0.612 3 R N 2.332 122.838 120.500 0.011 0.000 2.421 3 R HA 0.477 4.817 4.340 -0.001 0.000 0.305 3 R C -1.067 175.263 176.300 0.051 0.000 1.039 3 R CA 0.329 56.450 56.100 0.036 0.000 1.003 3 R CB 0.136 30.464 30.300 0.047 0.000 0.959 3 R HN 0.318 nan 8.270 nan 0.000 0.427 4 K N 3.607 124.065 120.400 0.096 0.000 2.463 4 K HA 0.347 4.666 4.320 -0.001 0.000 0.255 4 K C -1.191 175.533 176.600 0.206 0.000 0.942 4 K CA -0.898 55.482 56.287 0.155 0.000 0.814 4 K CB 1.626 34.127 32.500 0.000 0.000 1.122 4 K HN 0.563 nan 8.250 nan 0.000 0.425 5 N N 1.284 120.025 118.700 0.069 0.000 2.319 5 N HA 0.464 5.203 4.740 -0.001 0.000 0.305 5 N C -1.252 174.087 175.510 -0.285 0.000 1.103 5 N CA -0.644 52.184 53.050 -0.371 0.000 0.815 5 N CB 2.239 40.140 38.487 -0.978 0.000 1.288 5 N HN 0.086 nan 8.380 nan 0.000 0.493 6 V N 1.850 121.562 119.914 -0.337 0.000 2.531 6 V HA 0.381 4.501 4.120 -0.001 0.000 0.301 6 V C -0.712 175.247 176.094 -0.225 0.000 1.034 6 V CA -0.799 61.350 62.300 -0.251 0.000 0.865 6 V CB 1.835 33.649 31.823 -0.016 0.000 0.995 6 V HN 0.466 nan 8.190 nan 0.000 0.424 7 L N 6.631 127.755 121.223 -0.166 0.000 2.295 7 L HA 0.660 4.999 4.340 -0.001 0.000 0.281 7 L C -0.849 175.895 176.870 -0.210 0.000 1.018 7 L CA -0.265 54.525 54.840 -0.083 0.000 0.841 7 L CB 1.285 43.410 42.059 0.110 0.000 1.218 7 L HN 0.652 nan 8.230 nan 0.000 0.424 8 L N 6.571 127.598 121.223 -0.327 0.000 2.257 8 L HA 0.593 4.933 4.340 -0.001 0.000 0.290 8 L C -0.858 175.801 176.870 -0.352 0.000 1.044 8 L CA 0.113 54.783 54.840 -0.285 0.000 0.810 8 L CB 0.797 42.734 42.059 -0.204 0.000 1.193 8 L HN 0.560 nan 8.230 nan 0.000 0.425 9 I N 5.950 126.354 120.570 -0.276 0.000 2.321 9 I HA 0.367 4.537 4.170 -0.001 0.000 0.291 9 I C -0.674 175.179 176.117 -0.440 0.000 0.998 9 I CA -0.613 60.525 61.300 -0.270 0.000 1.227 9 I CB 1.541 39.544 38.000 0.006 0.000 1.368 9 I HN 0.271 nan 8.210 nan 0.000 0.466 10 V N 7.376 126.973 119.914 -0.527 0.000 2.349 10 V HA 0.294 4.413 4.120 -0.001 0.000 0.284 10 V C 0.290 176.150 176.094 -0.389 0.000 1.014 10 V CA -0.715 61.274 62.300 -0.518 0.000 0.826 10 V CB 1.336 32.819 31.823 -0.568 0.000 1.009 10 V HN 0.566 nan 8.190 nan 0.000 0.431 11 V N 0.832 120.533 119.914 -0.357 0.000 3.403 11 V HA 0.689 4.808 4.120 -0.001 0.000 0.305 11 V C -0.332 175.660 176.094 -0.170 0.000 1.060 11 V CA -0.457 61.759 62.300 -0.141 0.000 1.053 11 V CB 1.838 33.675 31.823 0.023 0.000 1.198 11 V HN 0.730 nan 8.190 nan 0.000 0.447 12 D N 0.130 120.488 120.400 -0.070 0.000 2.629 12 D HA 0.311 4.950 4.640 -0.001 0.000 0.250 12 D C -0.006 176.237 176.300 -0.095 0.000 1.126 12 D CA -0.224 53.695 54.000 -0.135 0.000 0.852 12 D CB 1.824 42.645 40.800 0.034 0.000 1.335 12 D HN 0.864 nan 8.370 nan 0.000 0.518 13 Q N 1.529 121.169 119.800 -0.268 0.000 2.493 13 Q HA -0.168 4.171 4.340 -0.001 0.000 0.260 13 Q C -1.221 174.891 176.000 0.188 0.000 0.905 13 Q CA 0.553 56.382 55.803 0.042 0.000 1.140 13 Q CB -0.728 28.112 28.738 0.170 0.000 1.435 13 Q HN 0.519 nan 8.270 nan 0.000 0.581 14 W N 1.996 123.247 121.300 -0.082 0.000 2.316 14 W HA 0.454 5.113 4.660 -0.001 0.000 0.308 14 W C -0.224 176.314 176.519 0.031 0.000 1.106 14 W CA -0.697 56.622 57.345 -0.043 0.000 1.262 14 W CB 0.372 29.772 29.460 -0.100 0.000 1.233 14 W HN 0.098 nan 8.180 nan 0.000 0.447 15 R N 3.845 124.642 120.500 0.496 0.000 2.582 15 R HA 0.357 4.697 4.340 -0.001 0.000 0.271 15 R C 1.400 177.973 176.300 0.454 0.000 1.078 15 R CA 0.243 56.558 56.100 0.359 0.000 1.127 15 R CB 0.646 31.085 30.300 0.231 0.000 1.038 15 R HN 0.561 nan 8.270 nan 0.000 0.500 16 A N 1.982 124.975 122.820 0.287 0.000 1.948 16 A HA -0.223 4.096 4.320 -0.001 0.000 0.220 16 A C 1.234 178.995 177.584 0.296 0.000 1.177 16 A CA 2.070 54.255 52.037 0.248 0.000 0.636 16 A CB -0.495 18.611 19.000 0.177 0.000 0.815 16 A HN 0.891 nan 8.150 nan 0.000 0.449 17 D N -2.229 118.383 120.400 0.353 0.000 2.336 17 D HA 0.121 4.761 4.640 -0.001 0.000 0.228 17 D C -0.281 176.203 176.300 0.307 0.000 1.120 17 D CA -0.249 53.924 54.000 0.288 0.000 0.839 17 D CB -0.490 40.447 40.800 0.229 0.000 0.932 17 D HN 0.296 nan 8.370 nan 0.000 0.509 18 F N 1.238 121.336 119.950 0.248 0.000 2.701 18 F HA 0.341 4.867 4.527 -0.001 0.000 0.315 18 F C -0.146 175.837 175.800 0.305 0.000 1.277 18 F CA -0.899 57.224 58.000 0.204 0.000 1.180 18 F CB 0.423 39.540 39.000 0.196 0.000 1.273 18 F HN -0.124 nan 8.300 nan 0.000 0.532 19 I N 1.829 122.539 120.570 0.233 0.000 2.517 19 I HA 0.232 4.401 4.170 -0.001 0.000 0.280 19 I C -1.922 174.217 176.117 0.036 0.000 1.061 19 I CA -2.043 59.361 61.300 0.174 0.000 1.091 19 I CB 1.850 39.947 38.000 0.160 0.000 1.205 19 I HN -0.051 nan 8.210 nan 0.000 0.459 20 P HA -0.202 nan 4.420 nan 0.000 0.216 20 P C 1.564 178.865 177.300 0.001 0.000 1.150 20 P CA 1.578 64.641 63.100 -0.063 0.000 0.843 20 P CB 0.279 31.948 31.700 -0.052 0.000 0.787 21 H N -0.839 118.203 119.070 -0.048 0.000 2.387 21 H HA -0.056 4.499 4.556 -0.001 0.000 0.299 21 H C 1.744 177.053 175.328 -0.031 0.000 1.090 21 H CA 1.386 57.411 56.048 -0.038 0.000 1.332 21 H CB -0.801 28.939 29.762 -0.036 0.000 1.386 21 H HN 0.030 nan 8.280 nan 0.000 0.516 22 L N -0.845 120.400 121.223 0.037 0.000 2.179 22 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 22 L C 2.389 179.231 176.870 -0.046 0.000 1.096 22 L CA 0.787 55.623 54.840 -0.007 0.000 0.779 22 L CB -0.246 41.842 42.059 0.049 0.000 0.922 22 L HN 0.360 nan 8.230 nan 0.000 0.443 23 M N -0.730 118.836 119.600 -0.056 0.000 2.086 23 M HA -0.190 4.289 4.480 -0.001 0.000 0.261 23 M C 2.418 178.674 176.300 -0.073 0.000 1.067 23 M CA 1.774 57.034 55.300 -0.068 0.000 1.116 23 M CB -0.430 32.101 32.600 -0.116 0.000 1.348 23 M HN 0.114 nan 8.290 nan 0.000 0.407 24 R N 0.295 120.737 120.500 -0.098 0.000 2.096 24 R HA -0.085 4.255 4.340 -0.001 0.000 0.235 24 R C 2.334 178.563 176.300 -0.118 0.000 1.127 24 R CA 1.426 57.464 56.100 -0.105 0.000 0.968 24 R CB -0.593 29.633 30.300 -0.123 0.000 0.861 24 R HN 0.394 nan 8.270 nan 0.000 0.440 25 A N 1.317 124.045 122.820 -0.153 0.000 1.972 25 A HA -0.175 4.144 4.320 -0.001 0.000 0.219 25 A C 1.717 179.259 177.584 -0.070 0.000 1.169 25 A CA 1.304 53.265 52.037 -0.127 0.000 0.635 25 A CB -0.198 18.717 19.000 -0.141 0.000 0.810 25 A HN 0.310 nan 8.150 nan 0.000 0.446 26 E N -1.602 118.566 120.200 -0.053 0.000 2.481 26 E HA 0.259 4.608 4.350 -0.001 0.000 0.195 26 E C 0.899 177.484 176.600 -0.027 0.000 1.047 26 E CA 0.325 56.708 56.400 -0.029 0.000 0.867 26 E CB -0.050 29.642 29.700 -0.014 0.000 0.858 26 E HN 0.742 nan 8.360 nan 0.000 0.513 27 G N 1.716 110.495 108.800 -0.036 0.000 2.203 27 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.231 27 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.231 27 G C -0.237 174.651 174.900 -0.020 0.000 1.058 27 G CA -0.265 44.817 45.100 -0.029 0.000 0.781 27 G HN 0.070 nan 8.290 nan 0.000 0.496 28 R N -0.459 120.028 120.500 -0.022 0.000 2.778 28 R HA 0.498 4.837 4.340 -0.001 0.000 0.277 28 R C -0.534 175.758 176.300 -0.012 0.000 0.977 28 R CA -1.015 55.081 56.100 -0.007 0.000 0.950 28 R CB 1.221 31.526 30.300 0.008 0.000 1.165 28 R HN 0.089 nan 8.270 nan 0.000 0.474 29 E N 3.342 123.546 120.200 0.007 0.000 2.104 29 E HA 0.135 4.485 4.350 -0.001 0.000 0.278 29 E C -2.121 174.480 176.600 0.003 0.000 1.127 29 E CA -1.755 54.649 56.400 0.008 0.000 0.897 29 E CB 0.662 30.377 29.700 0.025 0.000 1.043 29 E HN 0.233 nan 8.360 nan 0.000 0.410 30 P HA -0.064 nan 4.420 nan 0.000 0.265 30 P C 0.228 177.445 177.300 -0.138 0.000 1.193 30 P CA 0.178 63.168 63.100 -0.183 0.000 0.765 30 P CB 0.066 31.657 31.700 -0.183 0.000 0.823 31 F N 2.010 121.890 119.950 -0.116 0.000 2.660 31 F HA 0.348 4.875 4.527 -0.001 0.000 0.302 31 F C -0.117 175.576 175.800 -0.178 0.000 1.103 31 F CA -0.733 57.200 58.000 -0.111 0.000 1.340 31 F CB -0.467 38.446 39.000 -0.144 0.000 1.048 31 F HN -0.059 nan 8.300 nan 0.000 0.551 32 L N -1.340 119.636 121.223 -0.413 0.000 2.479 32 L HA 0.638 4.977 4.340 -0.001 0.000 0.255 32 L C -1.159 175.649 176.870 -0.103 0.000 1.026 32 L CA -2.421 52.207 54.840 -0.353 0.000 0.842 32 L CB 1.296 42.997 42.059 -0.598 0.000 1.444 32 L HN -0.138 nan 8.230 nan 0.000 0.409 33 K N 0.224 120.680 120.400 0.093 0.000 2.221 33 K HA 0.791 5.110 4.320 -0.001 0.000 0.258 33 K C -0.762 175.878 176.600 0.067 0.000 0.944 33 K CA -0.274 56.066 56.287 0.088 0.000 0.823 33 K CB 2.024 34.604 32.500 0.134 0.000 1.113 33 K HN 0.886 nan 8.250 nan 0.000 0.431 34 T N -0.824 113.751 114.554 0.036 0.000 3.477 34 T HA 0.206 4.555 4.350 -0.001 0.000 0.277 34 T C -2.477 172.230 174.700 0.012 0.000 1.090 34 T CA -1.449 60.670 62.100 0.032 0.000 1.635 34 T CB 0.874 69.776 68.868 0.057 0.000 0.817 34 T HN 0.138 nan 8.240 nan 0.000 0.609 35 P HA -0.057 nan 4.420 nan 0.000 0.216 35 P C 1.509 178.821 177.300 0.020 0.000 1.153 35 P CA 1.051 64.160 63.100 0.015 0.000 0.848 35 P CB 0.156 31.865 31.700 0.014 0.000 0.787 36 N N -0.614 118.094 118.700 0.013 0.000 2.216 36 N HA -0.089 4.651 4.740 -0.001 0.000 0.183 36 N C 1.696 177.289 175.510 0.139 0.000 1.017 36 N CA 0.698 53.793 53.050 0.075 0.000 0.861 36 N CB -0.832 37.612 38.487 -0.073 0.000 0.986 36 N HN 0.070 nan 8.380 nan 0.000 0.428 37 L N 2.143 123.355 121.223 -0.020 0.000 2.083 37 L HA -0.098 4.241 4.340 -0.001 0.000 0.209 37 L C 1.412 178.223 176.870 -0.098 0.000 1.083 37 L CA 1.745 56.497 54.840 -0.148 0.000 0.752 37 L CB -0.621 41.231 42.059 -0.345 0.000 0.899 37 L HN -0.034 nan 8.230 nan 0.000 0.433 38 D N -0.674 119.702 120.400 -0.040 0.000 2.178 38 D HA -0.213 4.427 4.640 -0.001 0.000 0.201 38 D C 2.238 178.521 176.300 -0.028 0.000 0.980 38 D CA 0.975 54.960 54.000 -0.026 0.000 0.842 38 D CB -0.069 40.742 40.800 0.018 0.000 0.948 38 D HN 0.375 nan 8.370 nan 0.000 0.472 39 R N 0.494 121.007 120.500 0.022 0.000 2.070 39 R HA -0.085 4.254 4.340 -0.001 0.000 0.233 39 R C 2.487 178.815 176.300 0.046 0.000 1.137 39 R CA 0.784 56.908 56.100 0.041 0.000 0.945 39 R CB -0.436 29.909 30.300 0.075 0.000 0.845 39 R HN 0.156 nan 8.270 nan 0.000 0.430 40 L N 0.293 121.558 121.223 0.070 0.000 2.013 40 L HA -0.319 4.021 4.340 -0.001 0.000 0.212 40 L C 2.756 179.566 176.870 -0.100 0.000 1.073 40 L CA 1.671 56.520 54.840 0.015 0.000 0.753 40 L CB -0.464 41.586 42.059 -0.016 0.000 0.890 40 L HN 0.489 nan 8.230 nan 0.000 0.432 41 C N -0.417 118.761 119.300 -0.204 0.000 2.413 41 C HA -0.159 4.300 4.460 -0.001 0.000 0.276 41 C C 2.822 177.567 174.990 -0.409 0.000 1.236 41 C CA 0.626 59.389 59.018 -0.425 0.000 1.735 41 C CB -1.078 26.242 27.740 -0.699 0.000 2.031 41 C HN 0.453 nan 8.230 nan 0.000 0.474 42 R N 0.847 121.200 120.500 -0.245 0.000 2.152 42 R HA -0.098 4.241 4.340 -0.001 0.000 0.232 42 R C 1.668 177.947 176.300 -0.035 0.000 1.117 42 R CA 1.121 57.170 56.100 -0.084 0.000 0.981 42 R CB -0.369 29.929 30.300 -0.002 0.000 0.870 42 R HN 0.705 nan 8.270 nan 0.000 0.451 43 E N -0.193 119.993 120.200 -0.023 0.000 2.472 43 E HA 0.101 4.451 4.350 -0.001 0.000 0.196 43 E C 0.874 177.465 176.600 -0.015 0.000 1.033 43 E CA 0.141 56.553 56.400 0.020 0.000 0.886 43 E CB 0.837 30.603 29.700 0.111 0.000 0.944 43 E HN 0.312 nan 8.360 nan 0.000 0.492 44 G N 0.642 109.408 108.800 -0.056 0.000 3.183 44 G HA2 0.516 4.476 3.960 -0.001 0.000 0.247 44 G HA3 0.516 4.476 3.960 -0.001 0.000 0.247 44 G C -1.678 173.184 174.900 -0.064 0.000 1.211 44 G CA -0.622 44.442 45.100 -0.060 0.000 0.835 44 G HN 0.012 nan 8.290 nan 0.000 0.604 45 L N 0.591 121.775 121.223 -0.064 0.000 2.356 45 L HA 0.700 5.039 4.340 -0.001 0.000 0.277 45 L C -0.425 176.368 176.870 -0.128 0.000 0.996 45 L CA -0.244 54.522 54.840 -0.125 0.000 0.822 45 L CB 2.066 44.026 42.059 -0.164 0.000 1.256 45 L HN 0.403 nan 8.230 nan 0.000 0.413 46 T N 5.640 120.092 114.554 -0.169 0.000 2.756 46 T HA 0.484 4.834 4.350 -0.001 0.000 0.290 46 T C -0.487 174.121 174.700 -0.154 0.000 0.985 46 T CA 0.092 62.154 62.100 -0.063 0.000 0.955 46 T CB 0.026 68.898 68.868 0.007 0.000 0.930 46 T HN 0.237 nan 8.240 nan 0.000 0.451 47 F N 2.866 122.760 119.950 -0.092 0.000 2.411 47 F HA 0.366 4.893 4.527 -0.001 0.000 0.350 47 F C 1.681 177.482 175.800 0.001 0.000 1.114 47 F CA -0.831 57.117 58.000 -0.087 0.000 1.135 47 F CB 1.185 40.081 39.000 -0.173 0.000 1.120 47 F HN 0.527 nan 8.300 nan 0.000 0.495 48 R N 0.924 121.522 120.500 0.162 0.000 2.308 48 R HA 0.193 4.532 4.340 -0.001 0.000 0.202 48 R C -0.444 175.977 176.300 0.201 0.000 0.898 48 R CA 0.311 56.503 56.100 0.153 0.000 1.046 48 R CB 0.165 30.521 30.300 0.093 0.000 1.026 48 R HN 0.404 nan 8.270 nan 0.000 0.512 49 N N 1.337 120.196 118.700 0.265 0.000 2.914 49 N HA 0.065 4.805 4.740 -0.001 0.000 0.304 49 N C -1.631 174.092 175.510 0.354 0.000 1.727 49 N CA -0.298 52.947 53.050 0.324 0.000 0.986 49 N CB 0.811 39.581 38.487 0.471 0.000 1.297 49 N HN 0.274 nan 8.380 nan 0.000 0.490 50 H N 0.165 119.330 119.070 0.159 0.000 2.469 50 H HA 0.565 5.121 4.556 -0.001 0.000 0.342 50 H C -0.476 174.884 175.328 0.053 0.000 1.115 50 H CA -0.712 55.392 56.048 0.095 0.000 1.204 50 H CB 1.130 30.909 29.762 0.029 0.000 1.492 50 H HN 0.006 nan 8.280 nan 0.000 0.499 51 V N 1.873 121.543 119.914 -0.406 0.000 3.001 51 V HA 0.533 4.652 4.120 -0.001 0.000 0.314 51 V C 0.069 175.959 176.094 -0.340 0.000 1.099 51 V CA -0.920 61.203 62.300 -0.296 0.000 0.989 51 V CB 1.576 33.282 31.823 -0.196 0.000 1.040 51 V HN 0.818 nan 8.190 nan 0.000 0.434 52 T N 0.956 115.440 114.554 -0.116 0.000 2.856 52 T HA 0.328 4.678 4.350 -0.001 0.000 0.292 52 T C 1.281 176.099 174.700 0.197 0.000 0.980 52 T CA 0.482 62.594 62.100 0.020 0.000 1.091 52 T CB 0.954 69.866 68.868 0.073 0.000 0.936 52 T HN 1.322 nan 8.240 nan 0.000 0.503 53 T N 1.130 115.828 114.554 0.240 0.000 3.113 53 T HA 0.144 4.493 4.350 -0.001 0.000 0.263 53 T C 1.000 175.989 174.700 0.481 0.000 1.143 53 T CA 0.346 62.682 62.100 0.395 0.000 1.090 53 T CB -1.179 67.953 68.868 0.439 0.000 0.922 53 T HN 0.888 nan 8.240 nan 0.000 0.521 54 C N -0.261 119.314 119.300 0.459 0.000 3.306 54 C HA 0.893 5.353 4.460 -0.001 0.000 0.335 54 C C -0.646 174.532 174.990 0.315 0.000 1.382 54 C CA -0.912 58.425 59.018 0.530 0.000 1.254 54 C CB 1.532 29.535 27.740 0.439 0.000 1.555 54 C HN 0.596 nan 8.230 nan 0.000 0.463 55 V N -2.308 117.751 119.914 0.243 0.000 3.102 55 V HA 0.986 5.106 4.120 -0.001 0.000 0.312 55 V C -2.685 173.551 176.094 0.236 0.000 1.135 55 V CA -1.541 60.762 62.300 0.005 0.000 1.022 55 V CB 1.650 33.197 31.823 -0.461 0.000 1.056 55 V HN 1.001 nan 8.190 nan 0.000 0.436 56 P HA 0.319 nan 4.420 nan 0.000 0.344 56 P C 0.935 178.295 177.300 0.100 0.000 1.321 56 P CA 0.097 63.166 63.100 -0.051 0.000 0.773 56 P CB 0.646 32.354 31.700 0.012 0.000 1.723 57 C N -0.870 118.530 119.300 0.166 0.000 2.375 57 C HA -0.126 4.334 4.460 -0.001 0.000 0.274 57 C C 3.100 178.222 174.990 0.220 0.000 1.190 57 C CA 1.831 61.029 59.018 0.301 0.000 1.775 57 C CB -2.336 25.600 27.740 0.327 0.000 2.067 57 C HN 0.696 nan 8.230 nan 0.000 0.463 58 G N 1.509 110.421 108.800 0.187 0.000 2.434 58 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.214 58 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.214 58 G C -0.407 174.568 174.900 0.125 0.000 1.202 58 G CA 1.226 46.417 45.100 0.153 0.000 0.788 58 G HN 0.413 nan 8.290 nan 0.000 0.539 59 P HA -0.022 nan 4.420 nan 0.000 0.215 59 P C 2.241 179.656 177.300 0.191 0.000 1.157 59 P CA 2.066 65.302 63.100 0.226 0.000 0.863 59 P CB -0.197 31.682 31.700 0.299 0.000 0.787 60 A N -0.019 122.918 122.820 0.196 0.000 1.908 60 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 60 A C 2.251 179.897 177.584 0.103 0.000 1.181 60 A CA 1.757 53.901 52.037 0.179 0.000 0.627 60 A CB -1.124 18.003 19.000 0.211 0.000 0.818 60 A HN 0.090 nan 8.150 nan 0.000 0.445 61 R N -0.723 119.821 120.500 0.074 0.000 2.119 61 R HA 0.104 4.443 4.340 -0.001 0.000 0.222 61 R C 2.465 178.744 176.300 -0.035 0.000 1.088 61 R CA 0.883 56.993 56.100 0.017 0.000 0.984 61 R CB -0.411 29.894 30.300 0.008 0.000 0.884 61 R HN 0.497 nan 8.270 nan 0.000 0.447 62 A N 0.751 123.504 122.820 -0.112 0.000 1.892 62 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 62 A C 2.188 179.604 177.584 -0.280 0.000 1.188 62 A CA 1.982 53.829 52.037 -0.316 0.000 0.631 62 A CB -0.613 17.946 19.000 -0.734 0.000 0.822 62 A HN 0.227 nan 8.150 nan 0.000 0.447 63 S N -0.721 114.905 115.700 -0.124 0.000 2.348 63 S HA -0.141 4.328 4.470 -0.001 0.000 0.221 63 S C 1.892 176.511 174.600 0.031 0.000 1.033 63 S CA 1.436 59.681 58.200 0.076 0.000 1.010 63 S CB -0.491 62.828 63.200 0.198 0.000 0.891 63 S HN 0.488 nan 8.310 nan 0.000 0.442 64 L N 1.501 122.742 121.223 0.031 0.000 2.043 64 L HA -0.021 4.319 4.340 -0.001 0.000 0.212 64 L C 1.615 178.510 176.870 0.041 0.000 1.075 64 L CA 1.832 56.691 54.840 0.031 0.000 0.752 64 L CB -0.479 41.594 42.059 0.023 0.000 0.891 64 L HN 0.307 nan 8.230 nan 0.000 0.432 65 L N -1.560 119.688 121.223 0.042 0.000 2.607 65 L HA 0.109 4.449 4.340 -0.001 0.000 0.228 65 L C 1.519 178.430 176.870 0.067 0.000 1.123 65 L CA 0.742 55.639 54.840 0.095 0.000 0.890 65 L CB -0.468 41.673 42.059 0.137 0.000 1.103 65 L HN 0.434 nan 8.230 nan 0.000 0.468 66 T N -5.774 108.793 114.554 0.022 0.000 2.959 66 T HA 0.228 4.577 4.350 -0.001 0.000 0.254 66 T C 1.461 176.168 174.700 0.010 0.000 1.003 66 T CA 0.519 62.629 62.100 0.016 0.000 0.950 66 T CB 0.856 69.718 68.868 -0.009 0.000 1.090 66 T HN 0.232 nan 8.240 nan 0.000 0.503 67 G N 1.652 110.454 108.800 0.002 0.000 2.153 67 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.252 67 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.252 67 G C -0.161 174.702 174.900 -0.063 0.000 0.994 67 G CA 0.494 45.581 45.100 -0.023 0.000 0.698 67 G HN 0.671 nan 8.290 nan 0.000 0.521 68 L N -0.669 120.539 121.223 -0.026 0.000 2.334 68 L HA 0.652 4.991 4.340 -0.001 0.000 0.273 68 L C 0.637 177.519 176.870 0.021 0.000 1.013 68 L CA -1.657 53.169 54.840 -0.024 0.000 0.816 68 L CB 0.980 43.043 42.059 0.007 0.000 1.278 68 L HN 0.030 nan 8.230 nan 0.000 0.431 69 Y N 1.033 121.337 120.300 0.006 0.000 2.426 69 Y HA -0.030 4.520 4.550 -0.000 0.000 0.344 69 Y C 1.136 176.889 175.900 -0.246 0.000 1.256 69 Y CA 0.067 58.153 58.100 -0.023 0.000 1.451 69 Y CB 0.536 38.958 38.460 -0.063 0.000 1.342 69 Y HN 0.491 nan 8.280 nan 0.000 0.600 70 L N 2.489 123.628 121.223 -0.141 0.000 2.081 70 L HA -0.303 4.036 4.340 -0.001 0.000 0.212 70 L C 2.319 178.941 176.870 -0.413 0.000 1.080 70 L CA 1.949 56.410 54.840 -0.631 0.000 0.754 70 L CB -0.324 41.658 42.059 -0.128 0.000 0.893 70 L HN 0.893 nan 8.230 nan 0.000 0.433 71 M N -1.476 118.019 119.600 -0.175 0.000 2.358 71 M HA -0.173 4.306 4.480 -0.001 0.000 0.264 71 M C 1.101 177.325 176.300 -0.125 0.000 1.064 71 M CA 1.929 57.139 55.300 -0.150 0.000 1.093 71 M CB -0.484 31.997 32.600 -0.197 0.000 1.401 71 M HN 0.302 nan 8.290 nan 0.000 0.440 72 N N 0.021 118.645 118.700 -0.127 0.000 2.454 72 N HA -0.019 4.721 4.740 -0.001 0.000 0.177 72 N C 1.614 177.061 175.510 -0.104 0.000 1.049 72 N CA 1.347 54.362 53.050 -0.059 0.000 0.887 72 N CB -0.352 38.130 38.487 -0.010 0.000 1.095 72 N HN 0.760 nan 8.380 nan 0.000 0.446 73 H N 0.388 119.336 119.070 -0.203 0.000 2.525 73 H HA 0.310 4.866 4.556 -0.001 0.000 0.275 73 H C 0.347 175.641 175.328 -0.057 0.000 0.984 73 H CA 0.645 56.423 56.048 -0.451 0.000 1.264 73 H CB 0.251 29.787 29.762 -0.377 0.000 1.432 73 H HN -0.212 nan 8.280 nan 0.000 0.549 74 R N -0.761 119.750 120.500 0.018 0.000 4.000 74 R HA -0.148 4.192 4.340 -0.001 0.000 0.362 74 R C 0.215 176.649 176.300 0.224 0.000 1.183 74 R CA 0.823 56.985 56.100 0.104 0.000 1.011 74 R CB -2.783 27.597 30.300 0.133 0.000 1.501 74 R HN 0.656 nan 8.270 nan 0.000 0.553 75 A N 1.310 124.407 122.820 0.462 0.000 2.990 75 A HA 0.406 4.726 4.320 -0.001 0.000 0.282 75 A C 1.623 179.377 177.584 0.283 0.000 1.688 75 A CA 0.255 52.477 52.037 0.309 0.000 1.391 75 A CB -0.223 18.901 19.000 0.207 0.000 1.112 75 A HN 0.280 nan 8.150 nan 0.000 0.588 76 V N -1.630 118.378 119.914 0.157 0.000 2.951 76 V HA 0.109 4.228 4.120 -0.001 0.000 0.255 76 V C 0.527 176.664 176.094 0.071 0.000 1.088 76 V CA 0.838 63.190 62.300 0.087 0.000 1.109 76 V CB -0.467 31.351 31.823 -0.008 0.000 0.724 76 V HN 0.612 nan 8.190 nan 0.000 0.471 77 Q N 0.264 120.116 119.800 0.086 0.000 2.501 77 Q HA 0.442 4.781 4.340 -0.001 0.000 0.288 77 Q C -1.128 174.959 176.000 0.145 0.000 1.051 77 Q CA -0.828 55.035 55.803 0.101 0.000 0.788 77 Q CB 1.870 30.628 28.738 0.034 0.000 1.469 77 Q HN 0.419 nan 8.270 nan 0.000 0.416 78 N N 1.011 119.820 118.700 0.182 0.000 2.345 78 N HA -0.059 4.680 4.740 -0.001 0.000 0.243 78 N C 0.753 176.385 175.510 0.203 0.000 1.246 78 N CA 1.814 54.992 53.050 0.213 0.000 0.863 78 N CB 0.291 38.947 38.487 0.281 0.000 1.096 78 N HN 0.867 nan 8.380 nan 0.000 0.446 79 T N -4.043 110.648 114.554 0.228 0.000 7.776 79 T HA -0.216 4.134 4.350 -0.001 0.000 0.302 79 T C -0.031 174.783 174.700 0.190 0.000 2.093 79 T CA 1.144 63.388 62.100 0.240 0.000 3.360 79 T CB -1.886 67.151 68.868 0.281 0.000 1.793 79 T HN 0.208 nan 8.240 nan 0.000 1.076 80 V N 3.549 123.556 119.914 0.156 0.000 2.432 80 V HA 0.563 4.683 4.120 -0.001 0.000 0.275 80 V C -1.882 174.305 176.094 0.156 0.000 1.043 80 V CA -1.848 60.531 62.300 0.133 0.000 0.925 80 V CB 1.097 32.981 31.823 0.102 0.000 0.985 80 V HN 0.244 nan 8.190 nan 0.000 0.466 81 P HA 0.088 nan 4.420 nan 0.000 0.267 81 P C -0.701 176.699 177.300 0.167 0.000 1.200 81 P CA -0.256 62.953 63.100 0.182 0.000 0.772 81 P CB 0.444 32.251 31.700 0.178 0.000 0.855 82 L N 3.232 124.552 121.223 0.162 0.000 2.257 82 L HA 0.286 4.625 4.340 -0.001 0.000 0.290 82 L C 0.060 177.036 176.870 0.177 0.000 1.044 82 L CA -0.430 54.516 54.840 0.178 0.000 0.810 82 L CB 0.128 42.267 42.059 0.133 0.000 1.193 82 L HN 0.256 nan 8.230 nan 0.000 0.425 83 D N 2.885 123.409 120.400 0.207 0.000 2.493 83 D HA -0.118 4.522 4.640 -0.001 0.000 0.240 83 D C 0.708 177.030 176.300 0.038 0.000 1.142 83 D CA 0.405 54.456 54.000 0.086 0.000 0.872 83 D CB 1.276 42.075 40.800 -0.002 0.000 1.173 83 D HN 0.749 nan 8.370 nan 0.000 0.467 84 Q N 3.400 123.205 119.800 0.009 0.000 2.364 84 Q HA -0.176 4.164 4.340 -0.001 0.000 0.209 84 Q C 2.009 177.980 176.000 -0.049 0.000 0.977 84 Q CA 1.227 57.032 55.803 0.005 0.000 0.885 84 Q CB 0.063 28.808 28.738 0.011 0.000 0.941 84 Q HN 0.580 nan 8.270 nan 0.000 0.464 85 R N -1.352 119.055 120.500 -0.155 0.000 2.235 85 R HA -0.053 4.286 4.340 -0.001 0.000 0.213 85 R C -0.254 175.944 176.300 -0.171 0.000 1.059 85 R CA 0.546 56.535 56.100 -0.183 0.000 0.997 85 R CB -0.443 29.718 30.300 -0.232 0.000 0.884 85 R HN 0.350 nan 8.270 nan 0.000 0.462 86 H N 0.884 119.981 119.070 0.045 0.000 2.722 86 H HA 0.145 4.700 4.556 -0.001 0.000 0.328 86 H C -0.624 174.719 175.328 0.025 0.000 1.067 86 H CA -0.824 55.251 56.048 0.045 0.000 1.447 86 H CB 1.182 30.983 29.762 0.065 0.000 1.469 86 H HN -0.019 nan 8.280 nan 0.000 0.544 87 L N 4.165 125.470 121.223 0.138 0.000 2.369 87 L HA 0.135 4.474 4.340 -0.001 0.000 0.279 87 L C -0.102 176.791 176.870 0.038 0.000 1.108 87 L CA -0.370 54.503 54.840 0.056 0.000 0.852 87 L CB -0.279 41.801 42.059 0.035 0.000 1.169 87 L HN 0.780 nan 8.230 nan 0.000 0.452 88 N N 3.255 121.954 118.700 -0.001 0.000 2.476 88 N HA 0.211 4.950 4.740 -0.001 0.000 0.276 88 N C 0.633 176.076 175.510 -0.112 0.000 1.204 88 N CA -0.737 52.305 53.050 -0.014 0.000 0.974 88 N CB 0.458 38.968 38.487 0.039 0.000 1.204 88 N HN 0.510 nan 8.380 nan 0.000 0.543 89 L N 0.109 121.283 121.223 -0.081 0.000 2.131 89 L HA 0.148 4.488 4.340 -0.001 0.000 0.210 89 L C 1.906 178.510 176.870 -0.443 0.000 1.092 89 L CA 2.107 56.852 54.840 -0.157 0.000 0.759 89 L CB -1.181 40.890 42.059 0.020 0.000 0.903 89 L HN 0.850 nan 8.230 nan 0.000 0.435 90 G N -0.738 107.514 108.800 -0.913 0.000 2.459 90 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.217 90 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.217 90 G C 1.713 176.266 174.900 -0.577 0.000 1.183 90 G CA 0.948 45.317 45.100 -1.219 0.000 0.776 90 G HN 0.346 nan 8.290 nan 0.000 0.552 91 K N 0.523 120.675 120.400 -0.412 0.000 2.057 91 K HA 0.154 4.474 4.320 -0.001 0.000 0.207 91 K C 2.854 179.352 176.600 -0.169 0.000 1.049 91 K CA 1.165 57.319 56.287 -0.221 0.000 0.931 91 K CB -0.385 32.032 32.500 -0.140 0.000 0.714 91 K HN 0.242 nan 8.250 nan 0.000 0.440 92 A N 0.573 123.288 122.820 -0.175 0.000 1.902 92 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 92 A C 2.097 179.608 177.584 -0.122 0.000 1.181 92 A CA 1.446 53.410 52.037 -0.121 0.000 0.623 92 A CB -0.720 18.217 19.000 -0.106 0.000 0.818 92 A HN 0.229 nan 8.150 nan 0.000 0.443 93 L N -1.058 120.049 121.223 -0.193 0.000 2.083 93 L HA -0.186 4.153 4.340 -0.001 0.000 0.209 93 L C 2.842 179.691 176.870 -0.036 0.000 1.083 93 L CA 1.415 56.164 54.840 -0.152 0.000 0.752 93 L CB -0.430 41.444 42.059 -0.307 0.000 0.899 93 L HN 0.341 nan 8.230 nan 0.000 0.433 94 R N -0.134 120.319 120.500 -0.077 0.000 2.092 94 R HA -0.093 4.246 4.340 -0.001 0.000 0.231 94 R C 2.355 178.648 176.300 -0.011 0.000 1.119 94 R CA 1.171 57.252 56.100 -0.032 0.000 0.970 94 R CB -0.474 29.788 30.300 -0.064 0.000 0.864 94 R HN 0.337 nan 8.270 nan 0.000 0.440 95 A N 1.721 124.526 122.820 -0.026 0.000 2.125 95 A HA -0.095 4.224 4.320 -0.001 0.000 0.219 95 A C 1.832 179.425 177.584 0.016 0.000 1.156 95 A CA 1.017 53.049 52.037 -0.008 0.000 0.671 95 A CB -0.508 18.482 19.000 -0.017 0.000 0.794 95 A HN 0.490 nan 8.150 nan 0.000 0.459 96 I N -5.780 114.814 120.570 0.041 0.000 3.816 96 I HA 0.559 4.729 4.170 -0.001 0.000 0.334 96 I C 0.885 177.103 176.117 0.168 0.000 1.551 96 I CA 0.313 61.666 61.300 0.089 0.000 1.153 96 I CB -0.154 37.893 38.000 0.078 0.000 1.197 96 I HN 0.259 nan 8.210 nan 0.000 0.439 97 G N 0.969 109.830 108.800 0.102 0.000 2.179 97 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.260 97 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.260 97 G C -0.266 174.642 174.900 0.013 0.000 0.977 97 G CA 0.110 45.238 45.100 0.048 0.000 0.641 97 G HN 0.515 nan 8.290 nan 0.000 0.533 98 Y N 0.462 120.773 120.300 0.017 0.000 2.361 98 Y HA 0.554 5.104 4.550 -0.001 0.000 0.332 98 Y C 0.268 176.196 175.900 0.046 0.000 1.101 98 Y CA -0.959 57.176 58.100 0.059 0.000 1.137 98 Y CB 1.607 40.107 38.460 0.068 0.000 1.207 98 Y HN 0.129 nan 8.280 nan 0.000 0.463 99 D N 4.587 125.119 120.400 0.221 0.000 2.317 99 D HA 0.248 4.888 4.640 -0.001 0.000 0.234 99 D C -2.476 173.982 176.300 0.263 0.000 1.112 99 D CA -2.164 51.948 54.000 0.187 0.000 0.840 99 D CB 1.063 41.980 40.800 0.195 0.000 1.078 99 D HN 0.135 nan 8.370 nan 0.000 0.486 100 P HA 0.191 nan 4.420 nan 0.000 0.237 100 P C -0.724 176.801 177.300 0.375 0.000 1.788 100 P CA -0.397 62.797 63.100 0.156 0.000 1.061 100 P CB 0.101 31.681 31.700 -0.200 0.000 1.967 101 A N 3.470 126.522 122.820 0.386 0.000 2.488 101 A HA 0.373 4.693 4.320 -0.001 0.000 0.249 101 A C -0.238 177.400 177.584 0.090 0.000 1.083 101 A CA -0.181 51.886 52.037 0.050 0.000 0.768 101 A CB -0.197 18.492 19.000 -0.518 0.000 1.017 101 A HN 0.604 nan 8.150 nan 0.000 0.496 102 L N 3.399 124.606 121.223 -0.028 0.000 2.431 102 L HA 0.765 5.104 4.340 -0.001 0.000 0.266 102 L C -1.200 175.554 176.870 -0.193 0.000 0.978 102 L CA -0.531 54.232 54.840 -0.128 0.000 0.822 102 L CB 1.538 43.404 42.059 -0.323 0.000 1.310 102 L HN 0.658 nan 8.230 nan 0.000 0.409 103 I N 5.014 125.469 120.570 -0.191 0.000 2.509 103 I HA 0.784 4.953 4.170 -0.001 0.000 0.293 103 I C 0.579 176.500 176.117 -0.326 0.000 1.020 103 I CA 0.138 61.301 61.300 -0.228 0.000 1.088 103 I CB 1.749 39.580 38.000 -0.282 0.000 1.267 103 I HN 0.913 nan 8.210 nan 0.000 0.430 104 G N 5.221 113.834 108.800 -0.311 0.000 2.637 104 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.211 104 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.211 104 G C -1.321 173.532 174.900 -0.078 0.000 1.213 104 G CA -0.000 44.795 45.100 -0.508 0.000 1.207 104 G HN 0.818 nan 8.290 nan 0.000 0.559 105 Y N -2.188 117.989 120.300 -0.205 0.000 2.656 105 Y HA 0.706 5.255 4.550 -0.001 0.000 0.334 105 Y C 0.806 176.604 175.900 -0.171 0.000 1.179 105 Y CA 0.237 58.273 58.100 -0.107 0.000 1.050 105 Y CB 1.255 39.739 38.460 0.041 0.000 1.308 105 Y HN 1.043 nan 8.280 nan 0.000 0.456 106 T N -4.588 109.970 114.554 0.007 0.000 2.958 106 T HA 0.163 4.512 4.350 -0.001 0.000 0.256 106 T C 0.432 175.194 174.700 0.103 0.000 0.983 106 T CA 0.490 62.561 62.100 -0.047 0.000 0.924 106 T CB -0.377 68.382 68.868 -0.182 0.000 1.136 106 T HN 1.073 nan 8.240 nan 0.000 0.506 107 T N 2.072 116.727 114.554 0.168 0.000 4.252 107 T HA -0.162 4.187 4.350 -0.001 0.000 0.331 107 T C 0.097 174.866 174.700 0.114 0.000 0.771 107 T CA 1.089 63.281 62.100 0.153 0.000 1.939 107 T CB -2.683 66.301 68.868 0.193 0.000 1.907 107 T HN 0.684 nan 8.240 nan 0.000 0.892 108 T N 2.899 117.501 114.554 0.081 0.000 2.780 108 T HA 0.419 4.768 4.350 -0.001 0.000 0.294 108 T C 0.767 175.516 174.700 0.080 0.000 0.949 108 T CA -0.392 61.753 62.100 0.074 0.000 1.074 108 T CB 1.098 69.999 68.868 0.053 0.000 0.910 108 T HN 0.262 nan 8.240 nan 0.000 0.501 109 T N 6.716 121.339 114.554 0.115 0.000 2.869 109 T HA 0.353 4.703 4.350 -0.001 0.000 0.295 109 T C -2.224 172.557 174.700 0.134 0.000 0.987 109 T CA -1.107 61.078 62.100 0.142 0.000 1.109 109 T CB 0.744 69.745 68.868 0.223 0.000 0.932 109 T HN 0.326 nan 8.240 nan 0.000 0.518 110 P HA 0.188 nan 4.420 nan 0.000 0.276 110 P C -0.404 177.042 177.300 0.243 0.000 1.244 110 P CA -0.721 62.419 63.100 0.067 0.000 0.801 110 P CB 0.478 32.085 31.700 -0.154 0.000 1.006 111 D N 2.649 123.155 120.400 0.177 0.000 2.412 111 D HA 0.000 4.640 4.640 -0.001 0.000 0.257 111 D C -1.383 175.065 176.300 0.246 0.000 1.217 111 D CA -1.395 52.712 54.000 0.177 0.000 0.897 111 D CB 0.437 41.299 40.800 0.104 0.000 1.132 111 D HN 0.140 nan 8.370 nan 0.000 0.493 112 P HA -0.028 nan 4.420 nan 0.000 0.230 112 P C 0.869 178.243 177.300 0.125 0.000 1.158 112 P CA 0.631 63.861 63.100 0.217 0.000 0.769 112 P CB 0.254 31.950 31.700 -0.007 0.000 0.807 113 R N -0.602 119.952 120.500 0.090 0.000 2.307 113 R HA 0.046 4.385 4.340 -0.001 0.000 0.199 113 R C 1.482 177.819 176.300 0.061 0.000 1.000 113 R CA 1.472 57.607 56.100 0.057 0.000 1.023 113 R CB -0.534 29.788 30.300 0.036 0.000 0.908 113 R HN 0.295 nan 8.270 nan 0.000 0.473 114 T N -4.687 109.917 114.554 0.084 0.000 3.043 114 T HA 0.119 4.468 4.350 -0.001 0.000 0.272 114 T C 0.368 175.115 174.700 0.078 0.000 0.990 114 T CA -0.271 61.869 62.100 0.066 0.000 0.897 114 T CB 0.917 69.816 68.868 0.051 0.000 1.111 114 T HN -0.040 nan 8.240 nan 0.000 0.529 115 T N 0.991 115.621 114.554 0.128 0.000 2.923 115 T HA 0.552 4.901 4.350 -0.001 0.000 0.311 115 T C -0.862 173.965 174.700 0.212 0.000 1.183 115 T CA -0.354 61.827 62.100 0.135 0.000 1.020 115 T CB 1.925 70.837 68.868 0.073 0.000 1.165 115 T HN 0.221 nan 8.240 nan 0.000 0.482 116 S N 2.334 118.131 115.700 0.162 0.000 2.562 116 S HA 0.419 4.889 4.470 -0.001 0.000 0.281 116 S C 1.807 176.565 174.600 0.263 0.000 1.333 116 S CA 0.197 58.490 58.200 0.156 0.000 1.052 116 S CB 0.315 63.574 63.200 0.097 0.000 0.884 116 S HN 1.028 nan 8.310 nan 0.000 0.506 117 A N 5.298 128.213 122.820 0.159 0.000 2.032 117 A HA -0.090 4.230 4.320 -0.001 0.000 0.221 117 A C 2.109 179.799 177.584 0.177 0.000 1.165 117 A CA 1.182 53.276 52.037 0.095 0.000 0.645 117 A CB -0.370 18.623 19.000 -0.012 0.000 0.807 117 A HN 0.905 nan 8.150 nan 0.000 0.453 118 R N -0.101 120.494 120.500 0.159 0.000 2.334 118 R HA 0.049 4.388 4.340 -0.001 0.000 0.216 118 R C -0.286 176.099 176.300 0.142 0.000 0.905 118 R CA -0.149 56.030 56.100 0.133 0.000 1.064 118 R CB -0.100 30.244 30.300 0.074 0.000 1.046 118 R HN 0.458 nan 8.270 nan 0.000 0.508 119 D N 2.200 122.708 120.400 0.181 0.000 2.533 119 D HA -0.035 4.604 4.640 -0.001 0.000 0.236 119 D C -1.584 174.738 176.300 0.037 0.000 1.137 119 D CA -1.250 52.785 54.000 0.059 0.000 0.867 119 D CB 1.431 42.197 40.800 -0.057 0.000 1.170 119 D HN -0.064 nan 8.370 nan 0.000 0.474 120 P HA -0.065 nan 4.420 nan 0.000 0.220 120 P C 1.136 178.422 177.300 -0.024 0.000 1.148 120 P CA 0.862 63.967 63.100 0.007 0.000 0.803 120 P CB 0.181 31.879 31.700 -0.002 0.000 0.782 121 R N -1.463 118.965 120.500 -0.119 0.000 2.211 121 R HA -0.117 4.222 4.340 -0.001 0.000 0.240 121 R C 1.109 177.315 176.300 -0.156 0.000 1.144 121 R CA 0.996 56.986 56.100 -0.184 0.000 0.992 121 R CB -0.754 29.363 30.300 -0.305 0.000 0.869 121 R HN 0.233 nan 8.270 nan 0.000 0.462 122 F N -0.631 119.339 119.950 0.035 0.000 2.769 122 F HA 0.053 4.580 4.527 -0.001 0.000 0.304 122 F C 1.605 177.419 175.800 0.022 0.000 1.158 122 F CA 0.571 58.593 58.000 0.037 0.000 1.398 122 F CB 0.210 39.228 39.000 0.031 0.000 1.094 122 F HN -0.165 nan 8.300 nan 0.000 0.553 123 T N -0.867 113.775 114.554 0.148 0.000 3.023 123 T HA 0.230 4.580 4.350 -0.001 0.000 0.253 123 T C 0.382 175.107 174.700 0.042 0.000 1.038 123 T CA 0.381 62.521 62.100 0.067 0.000 0.962 123 T CB 0.119 69.009 68.868 0.038 0.000 1.018 123 T HN -0.013 nan 8.240 nan 0.000 0.521 124 V N -1.716 118.249 119.914 0.085 0.000 3.102 124 V HA 0.530 4.649 4.120 -0.001 0.000 0.312 124 V C 1.197 177.394 176.094 0.172 0.000 1.135 124 V CA -1.086 61.271 62.300 0.095 0.000 1.022 124 V CB 1.407 33.260 31.823 0.049 0.000 1.056 124 V HN -0.050 nan 8.190 nan 0.000 0.436 125 L N 1.115 122.462 121.223 0.207 0.000 1.978 125 L HA 0.129 4.469 4.340 -0.001 0.000 0.218 125 L C 1.179 178.163 176.870 0.190 0.000 1.075 125 L CA 2.876 57.866 54.840 0.249 0.000 0.767 125 L CB -0.640 41.527 42.059 0.181 0.000 0.890 125 L HN 1.099 nan 8.230 nan 0.000 0.434 126 G N -2.370 106.507 108.800 0.127 0.000 2.559 126 G HA2 0.409 4.368 3.960 -0.001 0.000 0.291 126 G HA3 0.409 4.368 3.960 -0.001 0.000 0.291 126 G C -2.086 172.853 174.900 0.066 0.000 1.424 126 G CA -0.374 44.788 45.100 0.102 0.000 0.786 126 G HN 0.023 nan 8.290 nan 0.000 0.485 127 D N -1.100 119.330 120.400 0.050 0.000 2.664 127 D HA 0.400 5.039 4.640 -0.001 0.000 0.292 127 D C -0.459 175.861 176.300 0.034 0.000 1.214 127 D CA -0.633 53.389 54.000 0.036 0.000 0.932 127 D CB 2.584 43.383 40.800 -0.001 0.000 1.420 127 D HN 0.422 nan 8.370 nan 0.000 0.471 128 I N 1.563 122.148 120.570 0.026 0.000 2.692 128 I HA 0.069 4.238 4.170 -0.001 0.000 0.284 128 I C 0.681 176.814 176.117 0.027 0.000 1.159 128 I CA -0.181 61.121 61.300 0.003 0.000 1.423 128 I CB 0.473 38.471 38.000 -0.004 0.000 1.380 128 I HN 0.416 nan 8.210 nan 0.000 0.580 129 M N 6.185 125.808 119.600 0.038 0.000 2.248 129 M HA 0.013 4.492 4.480 -0.001 0.000 0.345 129 M C -0.121 176.291 176.300 0.187 0.000 1.243 129 M CA 0.123 55.499 55.300 0.127 0.000 1.090 129 M CB 0.200 32.918 32.600 0.197 0.000 1.683 129 M HN 0.522 nan 8.290 nan 0.000 0.450 130 D N 2.911 123.381 120.400 0.116 0.000 2.533 130 D HA 0.262 4.902 4.640 -0.001 0.000 0.236 130 D C 0.857 177.188 176.300 0.051 0.000 1.137 130 D CA 2.144 56.190 54.000 0.076 0.000 0.867 130 D CB 0.380 41.203 40.800 0.038 0.000 1.170 130 D HN 0.825 nan 8.370 nan 0.000 0.474 131 G N 1.506 110.304 108.800 -0.002 0.000 2.179 131 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.220 131 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.220 131 G C -0.032 174.698 174.900 -0.284 0.000 0.990 131 G CA -0.567 44.442 45.100 -0.152 0.000 0.646 131 G HN 0.399 nan 8.290 nan 0.000 0.517 132 F N 0.382 120.312 119.950 -0.033 0.000 2.507 132 F HA 0.708 5.234 4.527 -0.001 0.000 0.327 132 F C 0.762 176.553 175.800 -0.015 0.000 1.068 132 F CA -1.038 56.942 58.000 -0.034 0.000 0.965 132 F CB 1.477 40.438 39.000 -0.065 0.000 1.192 132 F HN 0.006 nan 8.300 nan 0.000 0.476 133 R N 1.664 122.287 120.500 0.205 0.000 2.207 133 R HA 0.336 4.676 4.340 -0.001 0.000 0.334 133 R C -0.580 175.773 176.300 0.088 0.000 1.013 133 R CA -0.218 55.956 56.100 0.123 0.000 0.858 133 R CB 1.153 31.521 30.300 0.113 0.000 1.094 133 R HN 0.682 nan 8.270 nan 0.000 0.457 134 S N 3.149 118.888 115.700 0.065 0.000 2.481 134 S HA 0.148 4.617 4.470 -0.001 0.000 0.276 134 S C 0.749 175.366 174.600 0.028 0.000 1.247 134 S CA -0.598 57.620 58.200 0.029 0.000 1.053 134 S CB 0.750 63.977 63.200 0.044 0.000 0.925 134 S HN 0.556 nan 8.310 nan 0.000 0.491 135 V N 2.186 122.089 119.914 -0.018 0.000 3.330 135 V HA 0.675 4.794 4.120 -0.001 0.000 0.309 135 V C 0.531 176.610 176.094 -0.024 0.000 1.481 135 V CA 0.224 62.523 62.300 -0.002 0.000 1.068 135 V CB 0.246 32.044 31.823 -0.042 0.000 0.935 135 V HN 0.903 nan 8.190 nan 0.000 0.453 136 G N 0.427 109.213 108.800 -0.023 0.000 3.714 136 G HA2 0.585 4.545 3.960 -0.001 0.000 0.259 136 G HA3 0.585 4.545 3.960 -0.001 0.000 0.259 136 G C -0.410 174.556 174.900 0.109 0.000 3.894 136 G CA 0.263 45.339 45.100 -0.040 0.000 0.498 136 G HN 0.865 nan 8.290 nan 0.000 0.258 137 A N 1.090 124.053 122.820 0.239 0.000 2.301 137 A HA 0.681 5.001 4.320 -0.001 0.000 0.298 137 A C 0.739 178.644 177.584 0.536 0.000 1.185 137 A CA -0.600 51.615 52.037 0.298 0.000 0.830 137 A CB 0.626 19.739 19.000 0.189 0.000 1.112 137 A HN 0.714 nan 8.150 nan 0.000 0.508 138 F N 1.484 121.672 119.950 0.396 0.000 2.269 138 F HA -0.036 4.490 4.527 -0.001 0.000 0.301 138 F C 1.029 176.902 175.800 0.121 0.000 1.082 138 F CA 1.583 59.770 58.000 0.312 0.000 1.360 138 F CB -0.334 38.826 39.000 0.265 0.000 1.041 138 F HN 0.777 nan 8.300 nan 0.000 0.512 139 E N -1.359 118.974 120.200 0.221 0.000 9.220 139 E HA -0.197 4.152 4.350 -0.001 0.000 0.468 139 E C -2.391 174.201 176.600 -0.014 0.000 1.430 139 E CA 0.508 56.954 56.400 0.078 0.000 2.492 139 E CB -1.935 27.797 29.700 0.052 0.000 1.039 139 E HN 0.082 nan 8.360 nan 0.000 0.325 140 P HA 0.110 nan 4.420 nan 0.000 0.274 140 P C 0.104 177.344 177.300 -0.099 0.000 1.231 140 P CA -0.003 63.066 63.100 -0.050 0.000 0.790 140 P CB 0.305 31.994 31.700 -0.019 0.000 0.951 141 N N 1.280 119.903 118.700 -0.127 0.000 2.765 141 N HA -0.234 4.506 4.740 -0.001 0.000 0.248 141 N C 0.534 175.947 175.510 -0.162 0.000 1.063 141 N CA 1.513 54.496 53.050 -0.111 0.000 0.862 141 N CB -1.709 36.758 38.487 -0.033 0.000 1.145 141 N HN 0.671 nan 8.380 nan 0.000 0.581 142 M N -2.447 116.923 119.600 -0.384 0.000 2.936 142 M HA -0.238 4.242 4.480 -0.001 0.000 0.216 142 M C 0.679 176.850 176.300 -0.216 0.000 0.544 142 M CA 1.112 56.028 55.300 -0.640 0.000 0.774 142 M CB -1.664 30.470 32.600 -0.777 0.000 2.799 142 M HN 0.201 nan 8.290 nan 0.000 0.474 143 E N 0.163 120.321 120.200 -0.070 0.000 2.268 143 E HA -0.047 4.302 4.350 -0.001 0.000 0.195 143 E C 2.052 178.641 176.600 -0.018 0.000 0.995 143 E CA 1.069 57.480 56.400 0.018 0.000 0.836 143 E CB 0.024 29.732 29.700 0.014 0.000 0.763 143 E HN 0.803 nan 8.360 nan 0.000 0.491 144 G N 0.742 109.527 108.800 -0.024 0.000 2.408 144 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.217 144 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.217 144 G C 1.367 176.107 174.900 -0.265 0.000 1.150 144 G CA 0.649 45.757 45.100 0.012 0.000 0.776 144 G HN 0.257 nan 8.290 nan 0.000 0.542 145 Y N 0.939 120.910 120.300 -0.549 0.000 2.153 145 Y HA 0.106 4.656 4.550 -0.001 0.000 0.289 145 Y C 2.356 177.959 175.900 -0.495 0.000 1.119 145 Y CA 0.689 58.224 58.100 -0.942 0.000 1.116 145 Y CB -0.601 37.448 38.460 -0.686 0.000 1.004 145 Y HN 0.126 nan 8.280 nan 0.000 0.501 146 F N 0.767 120.426 119.950 -0.485 0.000 2.202 146 F HA -0.058 4.468 4.527 -0.001 0.000 0.301 146 F C 2.668 178.287 175.800 -0.303 0.000 1.082 146 F CA 1.321 59.041 58.000 -0.467 0.000 1.313 146 F CB -1.342 37.471 39.000 -0.312 0.000 1.024 146 F HN 0.185 nan 8.300 nan 0.000 0.495 147 G N -1.078 107.694 108.800 -0.047 0.000 2.446 147 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.217 147 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.217 147 G C 1.550 176.432 174.900 -0.029 0.000 1.168 147 G CA 0.707 45.791 45.100 -0.025 0.000 0.771 147 G HN 0.536 nan 8.290 nan 0.000 0.551 148 W N 0.966 122.096 121.300 -0.283 0.000 2.363 148 W HA -0.065 4.594 4.660 -0.001 0.000 0.296 148 W C 2.392 178.741 176.519 -0.284 0.000 1.212 148 W CA 1.679 58.885 57.345 -0.232 0.000 1.260 148 W CB -0.241 29.052 29.460 -0.277 0.000 1.131 148 W HN 0.038 nan 8.180 nan 0.000 0.530 149 V N 1.641 121.373 119.914 -0.304 0.000 2.237 149 V HA -0.330 3.790 4.120 -0.001 0.000 0.245 149 V C 2.631 178.452 176.094 -0.455 0.000 1.046 149 V CA 2.503 64.477 62.300 -0.544 0.000 1.007 149 V CB -1.826 29.756 31.823 -0.402 0.000 0.638 149 V HN 0.340 nan 8.190 nan 0.000 0.445 150 A N -0.439 122.228 122.820 -0.255 0.000 1.884 150 A HA -0.376 3.943 4.320 -0.001 0.000 0.219 150 A C 2.178 179.614 177.584 -0.247 0.000 1.197 150 A CA 2.651 54.565 52.037 -0.205 0.000 0.637 150 A CB -0.743 18.174 19.000 -0.139 0.000 0.827 150 A HN 0.560 nan 8.150 nan 0.000 0.450 151 Q N 0.163 119.816 119.800 -0.245 0.000 2.170 151 Q HA -0.099 4.240 4.340 -0.001 0.000 0.203 151 Q C 1.317 177.141 176.000 -0.293 0.000 0.976 151 Q CA 1.648 57.321 55.803 -0.215 0.000 0.858 151 Q CB -0.371 28.280 28.738 -0.145 0.000 0.907 151 Q HN 0.646 nan 8.270 nan 0.000 0.433 152 N N -0.553 117.846 118.700 -0.502 0.000 2.575 152 N HA 0.024 4.763 4.740 -0.001 0.000 0.192 152 N C 0.426 175.684 175.510 -0.421 0.000 1.200 152 N CA 0.995 53.712 53.050 -0.555 0.000 0.897 152 N CB 0.310 38.178 38.487 -1.031 0.000 0.990 152 N HN 0.462 nan 8.380 nan 0.000 0.449 153 G N 0.447 109.058 108.800 -0.314 0.000 2.157 153 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.248 153 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.248 153 G C -0.101 174.696 174.900 -0.171 0.000 0.979 153 G CA -0.190 44.795 45.100 -0.192 0.000 0.650 153 G HN 0.396 nan 8.290 nan 0.000 0.529 154 F N 2.170 121.864 119.950 -0.427 0.000 2.411 154 F HA 0.599 5.126 4.527 -0.001 0.000 0.355 154 F C 0.512 176.168 175.800 -0.241 0.000 1.117 154 F CA -0.901 56.908 58.000 -0.319 0.000 1.139 154 F CB 0.847 39.573 39.000 -0.456 0.000 1.120 154 F HN 0.083 nan 8.300 nan 0.000 0.493 155 E N 6.906 126.690 120.200 -0.693 0.000 2.180 155 E HA 0.204 4.553 4.350 -0.001 0.000 0.283 155 E C -0.734 175.567 176.600 -0.499 0.000 1.061 155 E CA -0.355 55.756 56.400 -0.480 0.000 0.861 155 E CB 0.842 30.307 29.700 -0.391 0.000 1.056 155 E HN 0.647 nan 8.360 nan 0.000 0.407 156 L N 5.968 127.046 121.223 -0.240 0.000 2.395 156 L HA 0.316 4.656 4.340 -0.001 0.000 0.269 156 L C -1.610 175.155 176.870 -0.175 0.000 1.133 156 L CA -1.691 53.059 54.840 -0.150 0.000 0.812 156 L CB 0.215 42.173 42.059 -0.169 0.000 1.125 156 L HN 0.430 nan 8.230 nan 0.000 0.452 157 P HA 0.086 nan 4.420 nan 0.000 0.274 157 P C 0.277 177.495 177.300 -0.136 0.000 1.256 157 P CA -0.452 62.577 63.100 -0.118 0.000 0.795 157 P CB 0.904 32.562 31.700 -0.070 0.000 1.038 158 E N 0.383 120.522 120.200 -0.101 0.000 2.026 158 E HA -0.191 4.158 4.350 -0.001 0.000 0.206 158 E C 0.799 177.331 176.600 -0.114 0.000 1.028 158 E CA 1.276 57.619 56.400 -0.096 0.000 0.845 158 E CB -0.465 29.198 29.700 -0.061 0.000 0.772 158 E HN 0.460 nan 8.360 nan 0.000 0.462 159 N N 0.893 119.544 118.700 -0.083 0.000 2.415 159 N HA -0.011 4.728 4.740 -0.001 0.000 0.250 159 N C 0.674 176.089 175.510 -0.159 0.000 1.127 159 N CA 0.171 53.172 53.050 -0.082 0.000 0.945 159 N CB 0.457 38.947 38.487 0.006 0.000 1.196 159 N HN -0.001 nan 8.380 nan 0.000 0.499 160 R N 2.253 122.553 120.500 -0.333 0.000 2.127 160 R HA -0.101 4.238 4.340 -0.001 0.000 0.238 160 R C 1.273 177.219 176.300 -0.591 0.000 1.134 160 R CA 1.451 57.184 56.100 -0.611 0.000 0.975 160 R CB 0.152 29.722 30.300 -1.217 0.000 0.865 160 R HN 0.667 nan 8.270 nan 0.000 0.447 161 E N 0.060 120.037 120.200 -0.373 0.000 2.338 161 E HA -0.157 4.192 4.350 -0.001 0.000 0.197 161 E C 0.836 177.250 176.600 -0.309 0.000 1.007 161 E CA 0.717 56.934 56.400 -0.304 0.000 0.849 161 E CB 0.033 29.675 29.700 -0.096 0.000 0.774 161 E HN 0.333 nan 8.360 nan 0.000 0.506 162 D N 0.901 121.299 120.400 -0.004 0.000 2.351 162 D HA -0.150 4.489 4.640 -0.001 0.000 0.216 162 D C 1.875 178.227 176.300 0.087 0.000 0.968 162 D CA 0.536 54.651 54.000 0.191 0.000 0.899 162 D CB -0.285 40.603 40.800 0.146 0.000 0.907 162 D HN 0.446 nan 8.370 nan 0.000 0.514 163 I N -3.274 117.231 120.570 -0.109 0.000 2.761 163 I HA -0.160 4.010 4.170 -0.001 0.000 0.266 163 I C 1.020 177.136 176.117 -0.002 0.000 1.239 163 I CA 0.959 62.196 61.300 -0.104 0.000 1.451 163 I CB -0.316 37.524 38.000 -0.267 0.000 1.096 163 I HN -0.051 nan 8.210 nan 0.000 0.465 164 W N 1.758 123.157 121.300 0.166 0.000 3.123 164 W HA 0.473 5.132 4.660 -0.001 0.000 0.383 164 W C 0.383 177.080 176.519 0.298 0.000 1.102 164 W CA -1.004 56.454 57.345 0.188 0.000 1.865 164 W CB -0.428 29.089 29.460 0.094 0.000 1.111 164 W HN 0.080 nan 8.180 nan 0.000 0.621 165 L N 2.295 123.809 121.223 0.484 0.000 2.439 165 L HA 0.189 4.528 4.340 -0.001 0.000 0.269 165 L C -1.662 175.376 176.870 0.280 0.000 1.179 165 L CA -1.576 53.482 54.840 0.363 0.000 0.828 165 L CB -0.070 42.147 42.059 0.264 0.000 1.106 165 L HN -0.457 nan 8.230 nan 0.000 0.467 166 P HA 0.004 nan 4.420 nan 0.000 0.269 166 P C -0.693 176.699 177.300 0.153 0.000 1.215 166 P CA -0.286 62.931 63.100 0.196 0.000 0.780 166 P CB 0.467 32.271 31.700 0.173 0.000 0.898 167 E N 1.148 121.425 120.200 0.127 0.000 2.413 167 E HA 0.357 4.706 4.350 -0.001 0.000 0.263 167 E C 0.079 176.730 176.600 0.085 0.000 1.015 167 E CA 0.462 56.919 56.400 0.095 0.000 0.916 167 E CB -0.135 29.605 29.700 0.066 0.000 0.947 167 E HN 0.687 nan 8.360 nan 0.000 0.440 168 G N 1.706 110.545 108.800 0.065 0.000 2.911 168 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.686 168 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.686 168 G C 0.350 175.274 174.900 0.041 0.000 1.136 168 G CA -0.140 44.987 45.100 0.045 0.000 0.764 168 G HN 0.640 nan 8.290 nan 0.000 0.626 169 E N 0.084 120.270 120.200 -0.022 0.000 2.267 169 E HA -0.149 4.201 4.350 -0.001 0.000 0.197 169 E C 1.749 178.386 176.600 0.062 0.000 0.998 169 E CA 2.163 58.541 56.400 -0.037 0.000 0.830 169 E CB -0.437 29.166 29.700 -0.162 0.000 0.751 169 E HN 0.994 nan 8.360 nan 0.000 0.491 170 H N -1.152 117.939 119.070 0.035 0.000 2.652 170 H HA 0.295 4.850 4.556 -0.001 0.000 0.274 170 H C 0.179 175.529 175.328 0.036 0.000 1.021 170 H CA -0.206 55.861 56.048 0.031 0.000 1.187 170 H CB 0.934 30.712 29.762 0.027 0.000 1.505 170 H HN 0.226 nan 8.280 nan 0.000 0.530 171 S N 1.859 117.656 115.700 0.160 0.000 2.481 171 S HA 0.070 4.539 4.470 -0.001 0.000 0.276 171 S C 0.258 174.914 174.600 0.094 0.000 1.247 171 S CA -0.461 57.809 58.200 0.117 0.000 1.053 171 S CB 1.060 64.329 63.200 0.114 0.000 0.925 171 S HN 0.056 nan 8.310 nan 0.000 0.491 172 V N 6.929 126.883 119.914 0.067 0.000 2.485 172 V HA 0.100 4.219 4.120 -0.001 0.000 0.287 172 V C -1.923 174.201 176.094 0.049 0.000 1.022 172 V CA -1.402 60.925 62.300 0.044 0.000 1.067 172 V CB -0.380 31.451 31.823 0.014 0.000 0.967 172 V HN 0.632 nan 8.190 nan 0.000 0.479 173 P HA 0.450 nan 4.420 nan 0.000 0.264 173 P C 0.433 177.747 177.300 0.022 0.000 1.193 173 P CA 0.931 64.080 63.100 0.081 0.000 0.763 173 P CB 0.607 32.356 31.700 0.081 0.000 0.810 174 G N 1.255 110.049 108.800 -0.009 0.000 2.340 174 G HA2 0.343 4.302 3.960 -0.001 0.000 0.282 174 G HA3 0.343 4.302 3.960 -0.001 0.000 0.282 174 G C -1.153 173.369 174.900 -0.631 0.000 1.312 174 G CA -0.340 44.514 45.100 -0.411 0.000 0.942 174 G HN 0.473 nan 8.290 nan 0.000 0.495 175 A N -0.285 121.866 122.820 -1.115 0.000 2.561 175 A HA 0.562 4.881 4.320 -0.001 0.000 0.251 175 A C 0.700 178.218 177.584 -0.110 0.000 1.062 175 A CA 1.885 53.649 52.037 -0.456 0.000 0.761 175 A CB -0.095 18.728 19.000 -0.296 0.000 0.986 175 A HN 1.915 nan 8.150 nan 0.000 0.510 176 T N 0.435 115.038 114.554 0.082 0.000 2.906 176 T HA 0.482 4.832 4.350 -0.001 0.000 0.295 176 T C 0.092 174.881 174.700 0.148 0.000 1.061 176 T CA 0.032 62.198 62.100 0.110 0.000 1.000 176 T CB 1.229 70.192 68.868 0.158 0.000 1.103 176 T HN 0.706 nan 8.240 nan 0.000 0.486 177 D N 1.707 122.185 120.400 0.130 0.000 2.368 177 D HA 0.172 4.811 4.640 -0.001 0.000 0.218 177 D C 0.168 176.613 176.300 0.241 0.000 1.112 177 D CA -0.120 53.969 54.000 0.147 0.000 0.834 177 D CB 0.272 41.123 40.800 0.085 0.000 0.953 177 D HN 0.188 nan 8.370 nan 0.000 0.505 178 K N 1.679 122.226 120.400 0.244 0.000 2.098 178 K HA 0.368 4.688 4.320 -0.001 0.000 0.258 178 K C -2.447 174.296 176.600 0.239 0.000 0.973 178 K CA -1.936 54.505 56.287 0.256 0.000 0.898 178 K CB 1.197 33.794 32.500 0.161 0.000 1.057 178 K HN 0.069 nan 8.250 nan 0.000 0.447 179 P HA -0.031 nan 4.420 nan 0.000 0.272 179 P C 0.052 177.389 177.300 0.062 0.000 1.240 179 P CA -0.211 62.774 63.100 -0.192 0.000 0.791 179 P CB 0.513 31.849 31.700 -0.607 0.000 0.978 180 S N 1.254 117.042 115.700 0.146 0.000 2.617 180 S HA 0.127 4.596 4.470 -0.001 0.000 0.255 180 S C 0.759 175.458 174.600 0.164 0.000 1.318 180 S CA -0.406 57.936 58.200 0.237 0.000 0.978 180 S CB 0.087 63.509 63.200 0.369 0.000 0.961 180 S HN 0.376 nan 8.310 nan 0.000 0.582 181 R N 0.151 120.762 120.500 0.187 0.000 2.978 181 R HA 0.496 4.835 4.340 -0.001 0.000 0.298 181 R C -0.441 175.966 176.300 0.178 0.000 1.296 181 R CA 0.004 56.202 56.100 0.163 0.000 1.181 181 R CB -0.547 29.849 30.300 0.161 0.000 1.348 181 R HN 0.608 nan 8.270 nan 0.000 0.585 182 I N 0.614 121.252 120.570 0.113 0.000 2.692 182 I HA 0.382 4.552 4.170 -0.001 0.000 0.293 182 I C -2.633 173.475 176.117 -0.015 0.000 1.200 182 I CA -2.882 58.393 61.300 -0.041 0.000 1.036 182 I CB 2.893 40.818 38.000 -0.126 0.000 1.258 182 I HN -0.059 nan 8.210 nan 0.000 0.421 183 P HA 0.119 nan 4.420 nan 0.000 0.269 183 P C -0.351 176.932 177.300 -0.027 0.000 1.215 183 P CA -0.247 62.820 63.100 -0.055 0.000 0.780 183 P CB 0.477 32.101 31.700 -0.127 0.000 0.898 184 K N 2.340 122.752 120.400 0.020 0.000 2.211 184 K HA -0.190 4.130 4.320 -0.001 0.000 0.204 184 K C 1.240 177.877 176.600 0.062 0.000 1.047 184 K CA 1.529 57.883 56.287 0.112 0.000 0.935 184 K CB -0.496 32.119 32.500 0.191 0.000 0.728 184 K HN 0.381 nan 8.250 nan 0.000 0.452 185 E N 0.356 120.475 120.200 -0.134 0.000 2.472 185 E HA -0.146 4.204 4.350 -0.001 0.000 0.200 185 E C 0.111 176.593 176.600 -0.196 0.000 1.046 185 E CA 0.627 56.883 56.400 -0.241 0.000 0.871 185 E CB -0.145 29.266 29.700 -0.483 0.000 0.806 185 E HN 0.479 nan 8.360 nan 0.000 0.533 186 F N 1.551 121.600 119.950 0.165 0.000 2.805 186 F HA 0.208 4.734 4.527 -0.001 0.000 0.317 186 F C 0.660 176.716 175.800 0.428 0.000 1.146 186 F CA -1.334 56.823 58.000 0.263 0.000 1.265 186 F CB -0.062 38.831 39.000 -0.177 0.000 0.992 186 F HN -0.116 nan 8.300 nan 0.000 0.511 187 S N 0.047 116.026 115.700 0.465 0.000 2.593 187 S HA 0.051 4.521 4.470 -0.001 0.000 0.269 187 S C 1.428 176.176 174.600 0.247 0.000 1.334 187 S CA -0.167 58.251 58.200 0.363 0.000 1.015 187 S CB 0.890 64.231 63.200 0.235 0.000 0.912 187 S HN 0.430 nan 8.310 nan 0.000 0.541 188 D N 2.070 122.414 120.400 -0.095 0.000 2.123 188 D HA -0.157 4.483 4.640 -0.001 0.000 0.196 188 D C 1.749 177.882 176.300 -0.279 0.000 0.992 188 D CA 1.533 55.158 54.000 -0.625 0.000 0.833 188 D CB -0.976 39.414 40.800 -0.684 0.000 0.954 188 D HN 0.517 nan 8.370 nan 0.000 0.455 189 S N 0.391 116.120 115.700 0.048 0.000 2.374 189 S HA -0.150 4.319 4.470 -0.001 0.000 0.227 189 S C 2.157 176.857 174.600 0.167 0.000 1.037 189 S CA 1.855 60.195 58.200 0.233 0.000 1.024 189 S CB -0.565 62.674 63.200 0.065 0.000 0.861 189 S HN 0.426 nan 8.310 nan 0.000 0.456 190 T N 1.659 116.273 114.554 0.099 0.000 2.788 190 T HA -0.052 4.298 4.350 -0.001 0.000 0.268 190 T C 1.410 176.091 174.700 -0.032 0.000 1.044 190 T CA 1.160 63.333 62.100 0.123 0.000 1.139 190 T CB -0.393 68.637 68.868 0.270 0.000 0.867 190 T HN 0.460 nan 8.240 nan 0.000 0.454 191 F N 1.677 121.303 119.950 -0.539 0.000 2.075 191 F HA -0.044 4.482 4.527 -0.001 0.000 0.297 191 F C 1.617 176.974 175.800 -0.738 0.000 1.113 191 F CA 0.988 58.291 58.000 -1.161 0.000 1.218 191 F CB -0.681 37.409 39.000 -1.516 0.000 0.984 191 F HN 0.091 nan 8.300 nan 0.000 0.472 192 F N 0.786 120.360 119.950 -0.627 0.000 2.171 192 F HA -0.145 4.382 4.527 -0.001 0.000 0.300 192 F C 2.594 178.083 175.800 -0.518 0.000 1.090 192 F CA 1.722 59.275 58.000 -0.745 0.000 1.293 192 F CB -1.715 36.866 39.000 -0.698 0.000 1.013 192 F HN -0.074 nan 8.300 nan 0.000 0.486 193 T N -0.739 113.761 114.554 -0.091 0.000 2.746 193 T HA -0.228 4.121 4.350 -0.001 0.000 0.267 193 T C 1.888 176.539 174.700 -0.082 0.000 1.039 193 T CA 1.558 63.654 62.100 -0.006 0.000 1.142 193 T CB -0.331 68.605 68.868 0.113 0.000 0.866 193 T HN 0.336 nan 8.240 nan 0.000 0.444 194 E N 0.586 120.717 120.200 -0.114 0.000 2.110 194 E HA -0.187 4.162 4.350 -0.001 0.000 0.193 194 E C 2.419 178.937 176.600 -0.137 0.000 0.988 194 E CA 0.762 57.124 56.400 -0.064 0.000 0.804 194 E CB 0.138 29.882 29.700 0.072 0.000 0.745 194 E HN 0.151 nan 8.360 nan 0.000 0.458 195 R N 0.182 120.499 120.500 -0.305 0.000 2.075 195 R HA -0.059 4.280 4.340 -0.001 0.000 0.232 195 R C 2.277 178.488 176.300 -0.148 0.000 1.126 195 R CA 1.126 57.069 56.100 -0.261 0.000 0.963 195 R CB -1.161 28.874 30.300 -0.442 0.000 0.858 195 R HN 0.232 nan 8.270 nan 0.000 0.435 196 A N 1.489 124.206 122.820 -0.171 0.000 1.873 196 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 196 A C 2.178 179.701 177.584 -0.101 0.000 1.193 196 A CA 1.467 53.431 52.037 -0.122 0.000 0.629 196 A CB -0.585 18.342 19.000 -0.122 0.000 0.826 196 A HN 0.126 nan 8.150 nan 0.000 0.447 197 L N -0.166 120.979 121.223 -0.131 0.000 2.056 197 L HA -0.095 4.245 4.340 -0.001 0.000 0.207 197 L C 2.729 179.457 176.870 -0.236 0.000 1.078 197 L CA 2.428 57.133 54.840 -0.224 0.000 0.749 197 L CB -1.530 40.428 42.059 -0.169 0.000 0.901 197 L HN 0.444 nan 8.230 nan 0.000 0.433 198 T N -1.824 112.659 114.554 -0.119 0.000 2.788 198 T HA -0.261 4.089 4.350 -0.001 0.000 0.268 198 T C 1.751 176.408 174.700 -0.072 0.000 1.044 198 T CA 1.598 63.653 62.100 -0.076 0.000 1.139 198 T CB -0.466 68.396 68.868 -0.010 0.000 0.867 198 T HN 0.304 nan 8.240 nan 0.000 0.454 199 Y N 1.583 121.795 120.300 -0.147 0.000 2.163 199 Y HA -0.030 4.519 4.550 -0.001 0.000 0.288 199 Y C 1.994 177.800 175.900 -0.157 0.000 1.136 199 Y CA 0.880 58.904 58.100 -0.125 0.000 1.147 199 Y CB -0.430 37.953 38.460 -0.128 0.000 0.987 199 Y HN -0.010 nan 8.280 nan 0.000 0.509 200 L N 0.853 121.914 121.223 -0.270 0.000 2.083 200 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 200 L C 2.162 178.881 176.870 -0.251 0.000 1.083 200 L CA 1.738 56.376 54.840 -0.335 0.000 0.752 200 L CB -1.326 40.572 42.059 -0.268 0.000 0.899 200 L HN 0.277 nan 8.230 nan 0.000 0.433 201 K N -0.687 119.505 120.400 -0.347 0.000 2.147 201 K HA -0.096 4.224 4.320 -0.001 0.000 0.205 201 K C 2.078 178.615 176.600 -0.105 0.000 1.049 201 K CA 1.109 57.285 56.287 -0.184 0.000 0.936 201 K CB -0.394 31.975 32.500 -0.220 0.000 0.722 201 K HN 0.407 nan 8.250 nan 0.000 0.446 202 G N 1.225 109.915 108.800 -0.183 0.000 2.408 202 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.217 202 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.217 202 G C 1.478 176.276 174.900 -0.170 0.000 1.150 202 G CA 0.227 45.230 45.100 -0.162 0.000 0.776 202 G HN 0.107 nan 8.290 nan 0.000 0.542 203 R N 0.106 120.441 120.500 -0.276 0.000 2.120 203 R HA -0.068 4.271 4.340 -0.001 0.000 0.234 203 R C 0.954 177.236 176.300 -0.029 0.000 1.123 203 R CA 1.038 57.032 56.100 -0.177 0.000 0.975 203 R CB -0.514 29.658 30.300 -0.213 0.000 0.866 203 R HN 0.345 nan 8.270 nan 0.000 0.446 204 D N -1.197 119.212 120.400 0.014 0.000 2.699 204 D HA -0.172 4.467 4.640 -0.001 0.000 0.239 204 D C 0.663 177.005 176.300 0.069 0.000 1.136 204 D CA 1.373 55.408 54.000 0.058 0.000 0.668 204 D CB -1.256 39.562 40.800 0.030 0.000 1.060 204 D HN 0.549 nan 8.370 nan 0.000 0.429 205 G N -0.680 108.182 108.800 0.104 0.000 2.225 205 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.254 205 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.254 205 G C 0.495 175.466 174.900 0.118 0.000 0.988 205 G CA 0.544 45.711 45.100 0.112 0.000 0.625 205 G HN 0.615 nan 8.290 nan 0.000 0.527 206 K N 1.463 121.924 120.400 0.101 0.000 2.295 206 K HA 0.433 4.752 4.320 -0.001 0.000 0.270 206 K C -2.176 174.519 176.600 0.158 0.000 1.011 206 K CA -1.511 54.829 56.287 0.088 0.000 0.953 206 K CB 0.488 33.017 32.500 0.050 0.000 0.956 206 K HN 0.047 nan 8.250 nan 0.000 0.477 207 P HA -0.080 nan 4.420 nan 0.000 0.266 207 P C -1.069 176.380 177.300 0.248 0.000 1.193 207 P CA 0.323 63.492 63.100 0.115 0.000 0.770 207 P CB 0.249 31.930 31.700 -0.032 0.000 0.836 208 F N 1.195 121.318 119.950 0.289 0.000 2.626 208 F HA 0.743 5.269 4.527 -0.001 0.000 0.311 208 F C -1.768 174.328 175.800 0.494 0.000 1.088 208 F CA -1.702 56.522 58.000 0.372 0.000 0.949 208 F CB 1.190 40.391 39.000 0.335 0.000 1.322 208 F HN 0.176 nan 8.300 nan 0.000 0.461 209 F N 4.181 124.485 119.950 0.590 0.000 2.482 209 F HA 0.809 5.336 4.527 -0.001 0.000 0.331 209 F C -2.090 173.984 175.800 0.457 0.000 1.115 209 F CA -1.217 57.033 58.000 0.417 0.000 0.955 209 F CB 1.784 40.950 39.000 0.277 0.000 1.136 209 F HN 0.724 nan 8.300 nan 0.000 0.452 210 L N 6.907 127.774 121.223 -0.593 0.000 2.439 210 L HA 0.341 4.680 4.340 -0.001 0.000 0.270 210 L C -1.677 174.743 176.870 -0.751 0.000 0.972 210 L CA -0.440 54.111 54.840 -0.482 0.000 0.836 210 L CB 1.212 43.161 42.059 -0.183 0.000 1.255 210 L HN 0.745 nan 8.230 nan 0.000 0.404 211 H N 6.119 124.844 119.070 -0.573 0.000 2.846 211 H HA 0.307 4.863 4.556 -0.001 0.000 0.278 211 H C -1.428 173.677 175.328 -0.373 0.000 1.117 211 H CA -0.469 55.359 56.048 -0.365 0.000 1.406 211 H CB 1.226 30.920 29.762 -0.114 0.000 1.445 211 H HN 0.621 nan 8.280 nan 0.000 0.469 212 L N 6.399 127.340 121.223 -0.470 0.000 2.287 212 L HA 0.428 4.767 4.340 -0.001 0.000 0.280 212 L C 0.107 176.580 176.870 -0.663 0.000 1.055 212 L CA -0.304 54.257 54.840 -0.465 0.000 0.863 212 L CB 0.614 42.476 42.059 -0.327 0.000 1.245 212 L HN 0.733 nan 8.230 nan 0.000 0.432 213 G N 3.554 111.930 108.800 -0.706 0.000 2.356 213 G HA2 0.405 4.364 3.960 -0.001 0.000 0.298 213 G HA3 0.405 4.364 3.960 -0.001 0.000 0.298 213 G C -1.460 172.772 174.900 -1.113 0.000 1.145 213 G CA -0.230 44.395 45.100 -0.792 0.000 0.850 213 G HN 0.460 nan 8.290 nan 0.000 0.487 214 Y N 0.485 120.440 120.300 -0.575 0.000 2.409 214 Y HA 0.297 4.847 4.550 -0.001 0.000 0.339 214 Y C 0.712 176.460 175.900 -0.252 0.000 1.033 214 Y CA -0.729 57.113 58.100 -0.429 0.000 1.094 214 Y CB 1.994 40.372 38.460 -0.136 0.000 1.210 214 Y HN 0.616 nan 8.280 nan 0.000 0.456 215 Y N 1.499 121.739 120.300 -0.099 0.000 2.220 215 Y HA 0.025 4.574 4.550 -0.001 0.000 0.291 215 Y C 0.911 176.839 175.900 0.046 0.000 1.129 215 Y CA 1.130 59.220 58.100 -0.017 0.000 1.161 215 Y CB 0.165 38.518 38.460 -0.178 0.000 0.997 215 Y HN 0.393 nan 8.280 nan 0.000 0.522 216 R N 1.567 122.123 120.500 0.094 0.000 2.679 216 R HA 0.107 4.447 4.340 -0.001 0.000 0.269 216 R C -2.016 174.250 176.300 -0.056 0.000 1.076 216 R CA -2.348 53.714 56.100 -0.062 0.000 1.160 216 R CB -1.121 29.140 30.300 -0.064 0.000 1.054 216 R HN 0.140 nan 8.270 nan 0.000 0.507 217 P HA 0.002 nan 4.420 nan 0.000 0.249 217 P C -0.158 177.111 177.300 -0.052 0.000 1.593 217 P CA -0.058 62.898 63.100 -0.240 0.000 0.896 217 P CB -0.194 31.076 31.700 -0.717 0.000 1.581 218 H N 3.255 122.145 119.070 -0.301 0.000 3.038 218 H HA 0.054 4.609 4.556 -0.001 0.000 0.338 218 H C -1.818 173.119 175.328 -0.653 0.000 1.041 218 H CA -0.630 55.127 56.048 -0.485 0.000 1.394 218 H CB 0.475 29.690 29.762 -0.912 0.000 1.357 218 H HN 0.124 nan 8.280 nan 0.000 0.600 219 P HA 0.056 nan 4.420 nan 0.000 0.271 219 P C -2.733 174.202 177.300 -0.608 0.000 1.238 219 P CA -1.179 61.245 63.100 -1.128 0.000 0.794 219 P CB -0.533 30.296 31.700 -1.451 0.000 0.959 220 P HA 0.159 nan 4.420 nan 0.000 0.271 220 P C -0.504 176.537 177.300 -0.431 0.000 1.218 220 P CA 0.190 62.961 63.100 -0.548 0.000 0.780 220 P CB -0.072 31.451 31.700 -0.296 0.000 0.901 221 F N 2.124 121.997 119.950 -0.128 0.000 2.626 221 F HA 0.316 4.842 4.527 -0.001 0.000 0.353 221 F C 0.782 176.684 175.800 0.170 0.000 1.230 221 F CA -0.211 57.789 58.000 -0.001 0.000 1.298 221 F CB 0.129 39.107 39.000 -0.036 0.000 1.670 221 F HN 0.022 nan 8.300 nan 0.000 0.633 222 V N 1.453 121.527 119.914 0.266 0.000 3.012 222 V HA 0.893 5.012 4.120 -0.001 0.000 0.307 222 V C -1.392 174.861 176.094 0.265 0.000 1.166 222 V CA -0.569 61.912 62.300 0.302 0.000 0.974 222 V CB 2.093 34.117 31.823 0.336 0.000 1.040 222 V HN 0.391 nan 8.190 nan 0.000 0.428 223 A N 3.401 126.400 122.820 0.298 0.000 2.435 223 A HA 0.882 5.202 4.320 -0.001 0.000 0.304 223 A C -0.310 177.453 177.584 0.299 0.000 1.064 223 A CA -0.499 51.718 52.037 0.300 0.000 0.727 223 A CB 1.949 21.149 19.000 0.333 0.000 1.284 223 A HN 0.940 nan 8.150 nan 0.000 0.415 224 S N 0.812 116.699 115.700 0.311 0.000 2.580 224 S HA 0.510 4.980 4.470 -0.001 0.000 0.274 224 S C 0.719 175.444 174.600 0.209 0.000 1.329 224 S CA 0.046 58.383 58.200 0.227 0.000 1.036 224 S CB 1.109 64.444 63.200 0.226 0.000 0.919 224 S HN 1.442 nan 8.310 nan 0.000 0.515 225 A N 3.836 126.661 122.820 0.009 0.000 2.540 225 A HA 0.289 4.609 4.320 -0.001 0.000 0.239 225 A C -1.172 176.378 177.584 -0.057 0.000 1.061 225 A CA -0.838 51.216 52.037 0.027 0.000 0.758 225 A CB -0.207 18.751 19.000 -0.070 0.000 0.991 225 A HN 0.656 nan 8.150 nan 0.000 0.502 226 P HA 0.056 nan 4.420 nan 0.000 0.262 226 P C 0.096 177.334 177.300 -0.103 0.000 1.304 226 P CA 0.600 63.613 63.100 -0.145 0.000 0.859 226 P CB 0.041 31.545 31.700 -0.327 0.000 1.310 227 Y N 0.318 120.738 120.300 0.199 0.000 2.457 227 Y HA -0.107 4.443 4.550 -0.001 0.000 0.292 227 Y C 2.777 178.782 175.900 0.176 0.000 1.125 227 Y CA 1.160 59.338 58.100 0.129 0.000 1.254 227 Y CB -1.577 36.957 38.460 0.123 0.000 1.012 227 Y HN 0.285 nan 8.280 nan 0.000 0.555 228 H N -1.995 117.191 119.070 0.194 0.000 2.456 228 H HA 0.035 4.590 4.556 -0.001 0.000 0.296 228 H C 1.838 177.234 175.328 0.113 0.000 1.079 228 H CA 1.221 57.368 56.048 0.164 0.000 1.322 228 H CB -0.010 29.839 29.762 0.146 0.000 1.388 228 H HN 0.190 nan 8.280 nan 0.000 0.538 229 A N 0.413 122.884 122.820 -0.582 0.000 2.419 229 A HA 0.256 4.576 4.320 -0.001 0.000 0.233 229 A C 2.132 179.543 177.584 -0.288 0.000 1.217 229 A CA 0.122 51.844 52.037 -0.526 0.000 0.944 229 A CB -0.310 18.230 19.000 -0.766 0.000 1.025 229 A HN 0.446 nan 8.150 nan 0.000 0.524 230 M N -0.867 118.561 119.600 -0.286 0.000 2.149 230 M HA -0.074 4.406 4.480 -0.001 0.000 0.261 230 M C -0.477 175.457 176.300 -0.610 0.000 1.064 230 M CA 1.603 56.607 55.300 -0.494 0.000 1.102 230 M CB -0.065 32.154 32.600 -0.636 0.000 1.369 230 M HN 0.371 nan 8.290 nan 0.000 0.408 231 Y N 0.352 120.662 120.300 0.017 0.000 2.485 231 Y HA 0.475 5.024 4.550 -0.001 0.000 0.345 231 Y C -0.555 175.356 175.900 0.017 0.000 0.998 231 Y CA -1.373 56.750 58.100 0.037 0.000 1.059 231 Y CB 0.996 39.507 38.460 0.086 0.000 1.234 231 Y HN -0.170 nan 8.280 nan 0.000 0.461 232 K N 0.951 121.455 120.400 0.173 0.000 2.182 232 K HA 0.579 4.898 4.320 -0.001 0.000 0.262 232 K C 0.536 177.172 176.600 0.059 0.000 0.957 232 K CA -0.355 55.980 56.287 0.080 0.000 0.842 232 K CB 2.117 34.643 32.500 0.043 0.000 1.099 232 K HN 0.839 nan 8.250 nan 0.000 0.438 233 A N 2.763 125.601 122.820 0.030 0.000 1.917 233 A HA -0.235 4.085 4.320 -0.001 0.000 0.219 233 A C 1.759 179.325 177.584 -0.030 0.000 1.182 233 A CA 1.983 54.019 52.037 -0.002 0.000 0.633 233 A CB -0.482 18.512 19.000 -0.009 0.000 0.819 233 A HN 0.871 nan 8.150 nan 0.000 0.448 234 E N -0.265 119.922 120.200 -0.021 0.000 2.401 234 E HA -0.185 4.164 4.350 -0.001 0.000 0.199 234 E C 0.027 176.600 176.600 -0.045 0.000 1.023 234 E CA 1.293 57.672 56.400 -0.035 0.000 0.859 234 E CB -0.399 29.288 29.700 -0.023 0.000 0.780 234 E HN 0.559 nan 8.360 nan 0.000 0.523 235 D N 0.195 120.577 120.400 -0.030 0.000 2.349 235 D HA 0.112 4.751 4.640 -0.001 0.000 0.214 235 D C 0.354 176.564 176.300 -0.149 0.000 1.063 235 D CA 0.166 54.145 54.000 -0.035 0.000 0.847 235 D CB 0.246 41.078 40.800 0.053 0.000 0.933 235 D HN 0.160 nan 8.370 nan 0.000 0.513 236 M N 1.440 120.915 119.600 -0.208 0.000 2.314 236 M HA 0.316 4.795 4.480 -0.001 0.000 0.342 236 M C -2.209 173.805 176.300 -0.477 0.000 1.171 236 M CA -2.247 52.801 55.300 -0.420 0.000 1.098 236 M CB 0.348 32.802 32.600 -0.243 0.000 1.559 236 M HN -0.290 nan 8.290 nan 0.000 0.459 237 P HA 0.205 nan 4.420 nan 0.000 0.269 237 P C -0.843 176.285 177.300 -0.286 0.000 1.209 237 P CA -0.298 62.527 63.100 -0.458 0.000 0.776 237 P CB 0.183 31.592 31.700 -0.485 0.000 0.876 238 A N 4.449 127.139 122.820 -0.215 0.000 2.371 238 A HA 0.529 4.848 4.320 -0.001 0.000 0.257 238 A C -2.057 175.414 177.584 -0.189 0.000 1.089 238 A CA -1.209 50.720 52.037 -0.179 0.000 0.794 238 A CB -1.171 17.739 19.000 -0.149 0.000 1.029 238 A HN 0.417 nan 8.150 nan 0.000 0.488 239 P HA 0.350 nan 4.420 nan 0.000 0.272 239 P C -0.881 176.272 177.300 -0.245 0.000 1.240 239 P CA 0.013 62.978 63.100 -0.225 0.000 0.791 239 P CB 0.391 31.949 31.700 -0.236 0.000 0.978 240 I N 1.873 122.259 120.570 -0.307 0.000 2.390 240 I HA 0.362 4.532 4.170 -0.001 0.000 0.283 240 I C 0.531 176.470 176.117 -0.298 0.000 1.016 240 I CA -0.282 60.829 61.300 -0.316 0.000 1.151 240 I CB 0.645 38.321 38.000 -0.539 0.000 1.293 240 I HN 0.173 nan 8.210 nan 0.000 0.458 241 R N 4.155 124.569 120.500 -0.143 0.000 2.836 241 R HA 0.828 5.167 4.340 -0.001 0.000 0.269 241 R C -0.598 175.753 176.300 0.087 0.000 1.010 241 R CA -1.069 54.972 56.100 -0.098 0.000 0.930 241 R CB 1.762 31.758 30.300 -0.505 0.000 1.218 241 R HN 0.550 nan 8.270 nan 0.000 0.473 242 A N 0.663 123.673 122.820 0.316 0.000 2.310 242 A HA 0.088 4.408 4.320 -0.001 0.000 0.260 242 A C 1.023 178.688 177.584 0.136 0.000 1.112 242 A CA -0.146 51.956 52.037 0.109 0.000 0.804 242 A CB 0.158 19.317 19.000 0.264 0.000 1.081 242 A HN 0.906 nan 8.150 nan 0.000 0.499 243 E N 0.236 120.451 120.200 0.025 0.000 2.097 243 E HA -0.182 4.168 4.350 -0.001 0.000 0.196 243 E C 0.166 176.823 176.600 0.095 0.000 1.000 243 E CA 1.639 58.057 56.400 0.029 0.000 0.804 243 E CB -0.099 29.594 29.700 -0.012 0.000 0.740 243 E HN 0.787 nan 8.360 nan 0.000 0.454 244 N N -2.539 116.207 118.700 0.077 0.000 2.823 244 N HA 0.098 4.837 4.740 -0.001 0.000 0.251 244 N C -2.778 172.511 175.510 -0.370 0.000 1.392 244 N CA -1.334 51.683 53.050 -0.055 0.000 0.864 244 N CB 1.670 40.130 38.487 -0.046 0.000 1.481 244 N HN -0.396 nan 8.380 nan 0.000 0.508 245 P HA -0.161 nan 4.420 nan 0.000 0.216 245 P C 0.511 177.668 177.300 -0.238 0.000 1.154 245 P CA 1.625 64.351 63.100 -0.624 0.000 0.865 245 P CB 0.139 31.624 31.700 -0.359 0.000 0.789 246 D N -1.273 119.045 120.400 -0.138 0.000 2.144 246 D HA -0.097 4.543 4.640 -0.001 0.000 0.200 246 D C 1.998 178.289 176.300 -0.015 0.000 0.978 246 D CA 1.448 55.415 54.000 -0.054 0.000 0.833 246 D CB -0.796 39.981 40.800 -0.038 0.000 0.961 246 D HN 0.059 nan 8.370 nan 0.000 0.470 247 A N 0.732 123.545 122.820 -0.012 0.000 1.902 247 A HA -0.213 4.106 4.320 -0.001 0.000 0.217 247 A C 2.155 179.796 177.584 0.096 0.000 1.181 247 A CA 1.829 53.889 52.037 0.039 0.000 0.623 247 A CB -0.566 18.456 19.000 0.038 0.000 0.818 247 A HN 0.143 nan 8.150 nan 0.000 0.443 248 E N -0.000 120.263 120.200 0.106 0.000 2.038 248 E HA -0.117 4.232 4.350 -0.001 0.000 0.195 248 E C 2.108 178.799 176.600 0.151 0.000 1.000 248 E CA 1.629 58.145 56.400 0.192 0.000 0.803 248 E CB -0.422 29.409 29.700 0.218 0.000 0.750 248 E HN 0.506 nan 8.360 nan 0.000 0.448 249 A N 0.560 123.432 122.820 0.086 0.000 1.978 249 A HA -0.122 4.197 4.320 -0.001 0.000 0.220 249 A C 2.341 179.980 177.584 0.092 0.000 1.170 249 A CA 1.878 53.967 52.037 0.087 0.000 0.636 249 A CB -0.887 18.139 19.000 0.043 0.000 0.810 249 A HN 0.371 nan 8.150 nan 0.000 0.448 250 A N -1.021 121.848 122.820 0.080 0.000 2.125 250 A HA -0.161 4.158 4.320 -0.001 0.000 0.219 250 A C 2.037 179.677 177.584 0.094 0.000 1.156 250 A CA 1.510 53.587 52.037 0.067 0.000 0.671 250 A CB -0.489 18.544 19.000 0.056 0.000 0.794 250 A HN 0.693 nan 8.150 nan 0.000 0.459 251 Q N -1.290 118.604 119.800 0.156 0.000 2.084 251 Q HA -0.143 4.196 4.340 -0.001 0.000 0.202 251 Q C 0.211 176.336 176.000 0.207 0.000 0.978 251 Q CA 1.300 57.230 55.803 0.210 0.000 0.844 251 Q CB 0.020 28.939 28.738 0.302 0.000 0.898 251 Q HN 0.778 nan 8.270 nan 0.000 0.426 252 H N -2.937 116.178 119.070 0.076 0.000 3.094 252 H HA 0.117 4.672 4.556 -0.001 0.000 0.346 252 H C -2.406 172.912 175.328 -0.016 0.000 1.238 252 H CA -1.426 54.612 56.048 -0.016 0.000 1.209 252 H CB 2.072 31.829 29.762 -0.008 0.000 1.911 252 H HN -0.165 nan 8.280 nan 0.000 0.540 253 P HA -0.118 nan 4.420 nan 0.000 0.217 253 P C 1.669 179.010 177.300 0.069 0.000 1.150 253 P CA 0.643 63.682 63.100 -0.102 0.000 0.832 253 P CB 0.412 31.971 31.700 -0.234 0.000 0.787 254 L N -1.335 120.036 121.223 0.246 0.000 2.093 254 L HA -0.088 4.251 4.340 -0.001 0.000 0.208 254 L C 2.390 179.426 176.870 0.278 0.000 1.085 254 L CA 1.837 56.768 54.840 0.151 0.000 0.755 254 L CB -1.119 41.034 42.059 0.157 0.000 0.904 254 L HN -0.123 nan 8.230 nan 0.000 0.435 255 M N -0.182 119.640 119.600 0.369 0.000 2.086 255 M HA -0.216 4.263 4.480 -0.001 0.000 0.261 255 M C 2.311 178.741 176.300 0.217 0.000 1.067 255 M CA 2.194 57.678 55.300 0.307 0.000 1.116 255 M CB -0.481 32.296 32.600 0.295 0.000 1.348 255 M HN 0.225 nan 8.290 nan 0.000 0.407 256 K N -1.282 119.217 120.400 0.165 0.000 2.059 256 K HA -0.323 3.996 4.320 -0.001 0.000 0.212 256 K C 2.141 178.807 176.600 0.110 0.000 1.050 256 K CA 2.339 58.693 56.287 0.111 0.000 0.927 256 K CB -0.591 31.956 32.500 0.077 0.000 0.714 256 K HN 0.680 nan 8.250 nan 0.000 0.447 257 H N -1.186 117.881 119.070 -0.004 0.000 2.387 257 H HA -0.171 4.385 4.556 -0.001 0.000 0.299 257 H C 1.429 176.741 175.328 -0.026 0.000 1.099 257 H CA 2.266 58.264 56.048 -0.084 0.000 1.315 257 H CB -0.142 29.406 29.762 -0.358 0.000 1.380 257 H HN 0.336 nan 8.280 nan 0.000 0.513 258 Y N -0.138 120.142 120.300 -0.032 0.000 2.243 258 Y HA -0.057 4.492 4.550 -0.001 0.000 0.293 258 Y C 2.548 178.437 175.900 -0.019 0.000 1.124 258 Y CA 0.639 58.704 58.100 -0.060 0.000 1.159 258 Y CB -0.175 38.313 38.460 0.047 0.000 1.008 258 Y HN 0.235 nan 8.280 nan 0.000 0.527 259 I N 0.316 120.979 120.570 0.154 0.000 2.118 259 I HA -0.334 3.835 4.170 -0.001 0.000 0.241 259 I C 1.558 177.697 176.117 0.038 0.000 1.070 259 I CA 1.867 63.218 61.300 0.084 0.000 1.327 259 I CB -0.973 37.061 38.000 0.056 0.000 1.034 259 I HN 0.241 nan 8.210 nan 0.000 0.405 260 D N -0.643 119.770 120.400 0.023 0.000 2.264 260 D HA -0.142 4.497 4.640 -0.001 0.000 0.208 260 D C 1.876 178.055 176.300 -0.202 0.000 0.966 260 D CA 1.242 55.204 54.000 -0.064 0.000 0.864 260 D CB -0.102 40.674 40.800 -0.040 0.000 0.933 260 D HN 0.503 nan 8.370 nan 0.000 0.499 261 H N -1.127 117.862 119.070 -0.134 0.000 3.058 261 H HA 0.347 4.903 4.556 -0.001 0.000 0.258 261 H C 0.439 175.779 175.328 0.020 0.000 1.015 261 H CA -0.311 55.677 56.048 -0.101 0.000 1.210 261 H CB 1.061 30.656 29.762 -0.278 0.000 1.481 261 H HN -0.016 nan 8.280 nan 0.000 0.492 262 I N 3.238 123.908 120.570 0.166 0.000 2.436 262 I HA 0.047 4.217 4.170 -0.001 0.000 0.289 262 I C -0.078 176.150 176.117 0.186 0.000 1.083 262 I CA -0.109 61.318 61.300 0.211 0.000 1.372 262 I CB 0.252 38.369 38.000 0.196 0.000 1.408 262 I HN 0.069 nan 8.210 nan 0.000 0.516 263 R N 6.433 127.068 120.500 0.226 0.000 2.598 263 R HA 0.406 4.746 4.340 -0.001 0.000 0.279 263 R C 0.796 177.281 176.300 0.307 0.000 0.984 263 R CA -0.783 55.441 56.100 0.206 0.000 0.999 263 R CB 0.739 31.134 30.300 0.158 0.000 1.114 263 R HN 0.554 nan 8.270 nan 0.000 0.493 264 R N 0.519 121.193 120.500 0.290 0.000 2.115 264 R HA -0.055 4.285 4.340 -0.001 0.000 0.230 264 R C 1.965 178.513 176.300 0.413 0.000 1.111 264 R CA 1.545 57.904 56.100 0.431 0.000 0.976 264 R CB -0.332 30.188 30.300 0.366 0.000 0.870 264 R HN 0.819 nan 8.270 nan 0.000 0.445 265 G N 0.185 109.135 108.800 0.250 0.000 2.470 265 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.220 265 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.220 265 G C 1.212 176.159 174.900 0.079 0.000 1.121 265 G CA 0.614 45.814 45.100 0.166 0.000 0.766 265 G HN 0.225 nan 8.290 nan 0.000 0.553 266 S N -0.329 115.381 115.700 0.016 0.000 2.522 266 S HA 0.157 4.626 4.470 -0.001 0.000 0.227 266 S C 1.212 175.294 174.600 -0.864 0.000 0.986 266 S CA 0.448 58.444 58.200 -0.340 0.000 0.929 266 S CB -0.144 62.834 63.200 -0.369 0.000 0.769 266 S HN 0.446 nan 8.310 nan 0.000 0.529 267 F N -1.111 118.694 119.950 -0.240 0.000 2.784 267 F HA 0.425 4.951 4.527 -0.001 0.000 0.316 267 F C -0.265 175.038 175.800 -0.829 0.000 1.026 267 F CA -0.558 57.044 58.000 -0.662 0.000 1.188 267 F CB 0.651 39.263 39.000 -0.646 0.000 0.999 267 F HN -0.014 nan 8.300 nan 0.000 0.605 268 F N -0.422 119.628 119.950 0.168 0.000 2.477 268 F HA 0.363 4.890 4.527 -0.001 0.000 0.335 268 F C 0.067 175.973 175.800 0.175 0.000 1.130 268 F CA -1.441 56.665 58.000 0.176 0.000 0.948 268 F CB 0.430 39.551 39.000 0.202 0.000 1.154 268 F HN -0.194 nan 8.300 nan 0.000 0.439 269 H N 1.942 121.168 119.070 0.261 0.000 3.046 269 H HA 0.382 4.937 4.556 -0.001 0.000 0.303 269 H C 1.114 176.578 175.328 0.226 0.000 1.002 269 H CA 0.872 57.061 56.048 0.236 0.000 1.460 269 H CB 0.505 30.462 29.762 0.324 0.000 1.493 269 H HN 0.869 nan 8.280 nan 0.000 0.559 270 G N 2.666 111.304 108.800 -0.270 0.000 2.184 270 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.264 270 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.264 270 G C 0.568 175.471 174.900 0.006 0.000 0.975 270 G CA 0.383 45.374 45.100 -0.182 0.000 0.642 270 G HN 0.974 nan 8.290 nan 0.000 0.536 271 A N -0.111 122.770 122.820 0.102 0.000 2.296 271 A HA 0.727 5.046 4.320 -0.001 0.000 0.264 271 A C 0.497 178.144 177.584 0.105 0.000 1.097 271 A CA 0.765 52.875 52.037 0.122 0.000 0.811 271 A CB 0.369 19.494 19.000 0.209 0.000 1.072 271 A HN 1.185 nan 8.150 nan 0.000 0.495 272 E N -1.097 119.154 120.200 0.086 0.000 2.449 272 E HA 0.663 5.012 4.350 -0.001 0.000 0.278 272 E C -0.124 176.520 176.600 0.073 0.000 0.992 272 E CA -0.770 55.678 56.400 0.080 0.000 0.807 272 E CB 1.293 31.026 29.700 0.054 0.000 1.350 272 E HN 2.080 nan 8.360 nan 0.000 0.462 273 G N 0.448 109.290 108.800 0.069 0.000 2.566 273 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.599 273 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.599 273 G C -0.622 174.324 174.900 0.077 0.000 1.292 273 G CA -0.371 44.763 45.100 0.057 0.000 0.922 273 G HN 0.765 nan 8.290 nan 0.000 0.514 274 S N -0.119 115.615 115.700 0.057 0.000 2.545 274 S HA 0.535 5.004 4.470 -0.001 0.000 0.275 274 S C 1.835 176.486 174.600 0.085 0.000 1.299 274 S CA 0.823 59.059 58.200 0.061 0.000 1.048 274 S CB 0.902 64.118 63.200 0.028 0.000 0.938 274 S HN 2.114 nan 8.310 nan 0.000 0.496 275 G N 3.393 112.254 108.800 0.101 0.000 2.422 275 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.218 275 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.218 275 G C 1.487 176.424 174.900 0.062 0.000 1.146 275 G CA 0.723 45.875 45.100 0.086 0.000 0.769 275 G HN 0.995 nan 8.290 nan 0.000 0.547 276 A N 0.622 123.482 122.820 0.065 0.000 2.067 276 A HA 0.057 4.377 4.320 -0.001 0.000 0.219 276 A C 2.459 180.114 177.584 0.118 0.000 1.158 276 A CA 2.235 54.330 52.037 0.098 0.000 0.661 276 A CB -0.634 18.394 19.000 0.048 0.000 0.801 276 A HN 0.515 nan 8.150 nan 0.000 0.452 277 T N -2.706 111.889 114.554 0.067 0.000 3.107 277 T HA 0.302 4.651 4.350 -0.001 0.000 0.249 277 T C 0.378 175.105 174.700 0.045 0.000 1.096 277 T CA -0.405 61.727 62.100 0.052 0.000 1.012 277 T CB -0.395 68.488 68.868 0.024 0.000 0.977 277 T HN -0.005 nan 8.240 nan 0.000 0.527 278 L N 4.476 125.727 121.223 0.046 0.000 2.578 278 L HA 0.244 4.584 4.340 -0.001 0.000 0.279 278 L C 0.471 177.344 176.870 0.006 0.000 1.227 278 L CA -0.022 54.827 54.840 0.015 0.000 0.900 278 L CB -0.241 41.828 42.059 0.015 0.000 1.144 278 L HN 0.563 nan 8.230 nan 0.000 0.496 279 D N 0.826 121.217 120.400 -0.015 0.000 2.387 279 D HA 0.106 4.745 4.640 -0.001 0.000 0.251 279 D C 0.904 177.176 176.300 -0.048 0.000 1.141 279 D CA -0.435 53.552 54.000 -0.023 0.000 0.987 279 D CB 0.555 41.342 40.800 -0.021 0.000 1.116 279 D HN 0.595 nan 8.370 nan 0.000 0.491 280 E N 0.522 120.687 120.200 -0.059 0.000 2.086 280 E HA -0.241 4.109 4.350 -0.001 0.000 0.200 280 E C 1.979 178.535 176.600 -0.073 0.000 1.012 280 E CA 2.214 58.567 56.400 -0.079 0.000 0.812 280 E CB -0.813 28.839 29.700 -0.079 0.000 0.743 280 E HN 0.624 nan 8.360 nan 0.000 0.453 281 G N -0.096 108.669 108.800 -0.058 0.000 2.422 281 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.218 281 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.218 281 G C 1.361 176.230 174.900 -0.051 0.000 1.146 281 G CA 0.835 45.904 45.100 -0.052 0.000 0.769 281 G HN 0.388 nan 8.290 nan 0.000 0.547 282 E N 0.063 120.230 120.200 -0.055 0.000 2.077 282 E HA -0.065 4.284 4.350 -0.001 0.000 0.193 282 E C 2.504 179.073 176.600 -0.051 0.000 0.989 282 E CA 0.699 57.061 56.400 -0.064 0.000 0.800 282 E CB -0.141 29.511 29.700 -0.080 0.000 0.746 282 E HN 0.452 nan 8.360 nan 0.000 0.452 283 I N 0.768 121.302 120.570 -0.061 0.000 2.286 283 I HA -0.251 3.918 4.170 -0.001 0.000 0.248 283 I C 2.297 178.359 176.117 -0.093 0.000 1.115 283 I CA 1.127 62.379 61.300 -0.080 0.000 1.392 283 I CB -0.418 37.510 38.000 -0.119 0.000 1.065 283 I HN 0.082 nan 8.210 nan 0.000 0.418 284 R N 0.344 120.794 120.500 -0.083 0.000 2.115 284 R HA -0.180 4.159 4.340 -0.001 0.000 0.230 284 R C 2.295 178.571 176.300 -0.040 0.000 1.111 284 R CA 0.990 57.041 56.100 -0.082 0.000 0.976 284 R CB -0.257 29.992 30.300 -0.086 0.000 0.870 284 R HN 0.263 nan 8.270 nan 0.000 0.445 285 Q N 1.287 121.076 119.800 -0.019 0.000 2.046 285 Q HA -0.128 4.212 4.340 -0.001 0.000 0.200 285 Q C 2.023 178.056 176.000 0.055 0.000 0.975 285 Q CA 1.657 57.473 55.803 0.023 0.000 0.836 285 Q CB -0.209 28.540 28.738 0.017 0.000 0.896 285 Q HN 0.265 nan 8.270 nan 0.000 0.428 286 M N -0.347 119.283 119.600 0.051 0.000 2.082 286 M HA -0.286 4.193 4.480 -0.001 0.000 0.258 286 M C 1.886 178.100 176.300 -0.142 0.000 1.069 286 M CA 1.913 57.236 55.300 0.039 0.000 1.102 286 M CB -0.074 32.565 32.600 0.065 0.000 1.336 286 M HN 0.137 nan 8.290 nan 0.000 0.404 287 R N 0.019 120.433 120.500 -0.143 0.000 2.092 287 R HA -0.069 4.271 4.340 -0.001 0.000 0.231 287 R C 2.363 178.700 176.300 0.061 0.000 1.119 287 R CA 1.393 57.431 56.100 -0.104 0.000 0.970 287 R CB -0.606 29.649 30.300 -0.076 0.000 0.864 287 R HN 0.562 nan 8.270 nan 0.000 0.440 288 A N 0.465 123.327 122.820 0.069 0.000 1.902 288 A HA -0.155 4.164 4.320 -0.001 0.000 0.217 288 A C 2.123 179.835 177.584 0.214 0.000 1.181 288 A CA 1.944 54.074 52.037 0.155 0.000 0.623 288 A CB -0.747 18.339 19.000 0.143 0.000 0.818 288 A HN 0.276 nan 8.150 nan 0.000 0.443 289 T N -1.746 112.914 114.554 0.177 0.000 2.821 289 T HA -0.134 4.215 4.350 -0.001 0.000 0.267 289 T C 1.770 176.580 174.700 0.183 0.000 1.046 289 T CA 1.494 63.724 62.100 0.218 0.000 1.139 289 T CB -0.415 68.604 68.868 0.251 0.000 0.871 289 T HN 0.574 nan 8.240 nan 0.000 0.454 290 Y N 1.179 121.429 120.300 -0.084 0.000 2.145 290 Y HA -0.227 4.322 4.550 -0.001 0.000 0.286 290 Y C 2.593 178.379 175.900 -0.190 0.000 1.145 290 Y CA 0.769 58.744 58.100 -0.209 0.000 1.148 290 Y CB -0.779 37.405 38.460 -0.460 0.000 0.981 290 Y HN 0.188 nan 8.280 nan 0.000 0.507 291 C N 0.370 119.685 119.300 0.026 0.000 2.413 291 C HA -0.170 4.290 4.460 -0.001 0.000 0.276 291 C C 3.009 177.980 174.990 -0.031 0.000 1.248 291 C CA 1.423 60.347 59.018 -0.157 0.000 1.742 291 C CB -1.793 25.729 27.740 -0.362 0.000 2.017 291 C HN 0.842 nan 8.230 nan 0.000 0.481 292 G N 0.323 109.289 108.800 0.276 0.000 2.446 292 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.217 292 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.217 292 G C 1.529 176.461 174.900 0.053 0.000 1.168 292 G CA 0.794 46.127 45.100 0.389 0.000 0.771 292 G HN 0.543 nan 8.290 nan 0.000 0.551 293 L N 0.083 121.260 121.223 -0.077 0.000 2.131 293 L HA -0.014 4.326 4.340 -0.001 0.000 0.210 293 L C 2.835 179.458 176.870 -0.411 0.000 1.092 293 L CA 0.532 55.227 54.840 -0.242 0.000 0.759 293 L CB -0.294 41.654 42.059 -0.185 0.000 0.903 293 L HN 0.211 nan 8.230 nan 0.000 0.435 294 I N -0.621 119.633 120.570 -0.526 0.000 2.226 294 I HA -0.269 3.900 4.170 -0.001 0.000 0.245 294 I C 2.408 178.293 176.117 -0.388 0.000 1.100 294 I CA 1.538 62.401 61.300 -0.727 0.000 1.374 294 I CB -0.378 36.978 38.000 -1.073 0.000 1.057 294 I HN 0.247 nan 8.210 nan 0.000 0.413 295 T N -0.306 114.130 114.554 -0.197 0.000 2.867 295 T HA -0.192 4.157 4.350 -0.001 0.000 0.268 295 T C 1.760 176.350 174.700 -0.184 0.000 1.057 295 T CA 1.094 63.170 62.100 -0.039 0.000 1.136 295 T CB -0.177 68.839 68.868 0.246 0.000 0.874 295 T HN 0.397 nan 8.240 nan 0.000 0.466 296 E N 0.748 120.600 120.200 -0.581 0.000 2.051 296 E HA -0.123 4.227 4.350 -0.001 0.000 0.192 296 E C 2.087 178.449 176.600 -0.396 0.000 0.991 296 E CA 1.040 56.950 56.400 -0.817 0.000 0.799 296 E CB -0.213 28.776 29.700 -1.184 0.000 0.748 296 E HN 0.484 nan 8.360 nan 0.000 0.449 297 I N 1.421 121.760 120.570 -0.386 0.000 2.208 297 I HA -0.286 3.883 4.170 -0.001 0.000 0.245 297 I C 2.524 178.466 176.117 -0.291 0.000 1.097 297 I CA 1.404 62.447 61.300 -0.429 0.000 1.363 297 I CB -0.399 37.389 38.000 -0.354 0.000 1.051 297 I HN 0.247 nan 8.210 nan 0.000 0.413 298 D N 0.928 121.236 120.400 -0.153 0.000 2.117 298 D HA -0.221 4.418 4.640 -0.001 0.000 0.197 298 D C 1.593 177.817 176.300 -0.126 0.000 0.987 298 D CA 1.521 55.456 54.000 -0.108 0.000 0.829 298 D CB -0.008 40.776 40.800 -0.028 0.000 0.961 298 D HN 0.277 nan 8.370 nan 0.000 0.460 299 D N 0.047 120.402 120.400 -0.077 0.000 2.116 299 D HA -0.153 4.486 4.640 -0.001 0.000 0.193 299 D C 2.328 178.588 176.300 -0.068 0.000 0.998 299 D CA 0.746 54.729 54.000 -0.028 0.000 0.836 299 D CB -0.684 40.164 40.800 0.080 0.000 0.951 299 D HN 0.316 nan 8.370 nan 0.000 0.449 300 C N 0.415 119.652 119.300 -0.105 0.000 2.446 300 C HA -0.041 4.418 4.460 -0.001 0.000 0.277 300 C C 2.943 177.865 174.990 -0.114 0.000 1.275 300 C CA 0.024 59.003 59.018 -0.066 0.000 1.727 300 C CB -1.079 26.637 27.740 -0.040 0.000 2.010 300 C HN 0.380 nan 8.230 nan 0.000 0.486 301 L N 1.023 122.101 121.223 -0.242 0.000 2.081 301 L HA -0.134 4.206 4.340 -0.001 0.000 0.212 301 L C 2.790 179.262 176.870 -0.663 0.000 1.080 301 L CA 1.751 56.292 54.840 -0.498 0.000 0.754 301 L CB -1.269 40.413 42.059 -0.629 0.000 0.893 301 L HN 0.543 nan 8.230 nan 0.000 0.433 302 G N -0.067 108.511 108.800 -0.370 0.000 2.469 302 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.219 302 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.219 302 G C 1.731 176.597 174.900 -0.056 0.000 1.150 302 G CA 0.741 45.729 45.100 -0.186 0.000 0.763 302 G HN 0.334 nan 8.290 nan 0.000 0.561 303 R N -0.335 120.144 120.500 -0.034 0.000 2.066 303 R HA -0.002 4.338 4.340 -0.001 0.000 0.232 303 R C 2.717 179.084 176.300 0.113 0.000 1.131 303 R CA 1.193 57.321 56.100 0.046 0.000 0.955 303 R CB -0.595 29.731 30.300 0.043 0.000 0.851 303 R HN 0.304 nan 8.270 nan 0.000 0.432 304 V N 0.783 120.752 119.914 0.093 0.000 2.295 304 V HA -0.247 3.872 4.120 -0.001 0.000 0.246 304 V C 2.131 178.493 176.094 0.448 0.000 1.049 304 V CA 1.698 64.131 62.300 0.221 0.000 1.024 304 V CB -0.573 31.368 31.823 0.197 0.000 0.648 304 V HN 0.147 nan 8.190 nan 0.000 0.447 305 F N 0.972 121.043 119.950 0.202 0.000 2.134 305 F HA -0.090 4.436 4.527 -0.001 0.000 0.299 305 F C 2.537 178.393 175.800 0.093 0.000 1.097 305 F CA 0.821 58.952 58.000 0.218 0.000 1.264 305 F CB -1.678 37.375 39.000 0.088 0.000 1.001 305 F HN 0.143 nan 8.300 nan 0.000 0.479 306 A N -0.543 122.426 122.820 0.248 0.000 1.892 306 A HA -0.301 4.018 4.320 -0.001 0.000 0.218 306 A C 2.186 179.867 177.584 0.162 0.000 1.188 306 A CA 1.831 53.948 52.037 0.133 0.000 0.631 306 A CB -1.631 17.433 19.000 0.106 0.000 0.822 306 A HN 0.434 nan 8.150 nan 0.000 0.447 307 Y N 0.445 120.819 120.300 0.124 0.000 2.181 307 Y HA -0.127 4.422 4.550 -0.001 0.000 0.288 307 Y C 1.976 177.958 175.900 0.136 0.000 1.146 307 Y CA 1.767 59.931 58.100 0.107 0.000 1.164 307 Y CB -0.225 38.288 38.460 0.089 0.000 0.982 307 Y HN 0.228 nan 8.280 nan 0.000 0.515 308 L N -0.483 120.873 121.223 0.222 0.000 2.056 308 L HA -0.203 4.136 4.340 -0.001 0.000 0.207 308 L C 2.106 179.056 176.870 0.134 0.000 1.078 308 L CA 1.362 56.329 54.840 0.210 0.000 0.749 308 L CB -0.628 41.693 42.059 0.436 0.000 0.901 308 L HN 0.174 nan 8.230 nan 0.000 0.433 309 D N 0.409 120.871 120.400 0.104 0.000 2.084 309 D HA -0.193 4.446 4.640 -0.001 0.000 0.194 309 D C 2.062 178.339 176.300 -0.038 0.000 0.990 309 D CA 1.272 55.273 54.000 0.002 0.000 0.826 309 D CB -0.136 40.600 40.800 -0.106 0.000 0.971 309 D HN 0.343 nan 8.370 nan 0.000 0.453 310 E N -0.350 119.806 120.200 -0.073 0.000 2.171 310 E HA -0.155 4.194 4.350 -0.001 0.000 0.197 310 E C 1.677 178.190 176.600 -0.145 0.000 0.997 310 E CA 1.658 57.995 56.400 -0.104 0.000 0.810 310 E CB -0.028 29.606 29.700 -0.110 0.000 0.738 310 E HN 0.361 nan 8.360 nan 0.000 0.467 311 T N -3.659 110.764 114.554 -0.217 0.000 3.105 311 T HA 0.333 4.683 4.350 -0.001 0.000 0.253 311 T C 1.218 175.883 174.700 -0.057 0.000 1.047 311 T CA 0.112 62.102 62.100 -0.185 0.000 0.944 311 T CB 0.800 69.467 68.868 -0.335 0.000 1.016 311 T HN 0.220 nan 8.240 nan 0.000 0.544 312 G N 1.757 110.551 108.800 -0.010 0.000 2.246 312 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.273 312 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.273 312 G C 0.409 175.359 174.900 0.084 0.000 1.055 312 G CA 0.440 45.566 45.100 0.043 0.000 0.851 312 G HN 0.592 nan 8.290 nan 0.000 0.500 313 Q N -1.766 118.109 119.800 0.125 0.000 2.280 313 Q HA 0.117 4.456 4.340 -0.001 0.000 0.228 313 Q C 1.944 178.051 176.000 0.178 0.000 0.857 313 Q CA -0.309 55.589 55.803 0.158 0.000 0.939 313 Q CB 0.211 29.080 28.738 0.219 0.000 1.114 313 Q HN 0.703 nan 8.270 nan 0.000 0.514 314 W N 2.611 123.920 121.300 0.015 0.000 2.325 314 W HA -0.219 4.440 4.660 -0.001 0.000 0.299 314 W C 0.166 176.668 176.519 -0.029 0.000 1.215 314 W CA 1.708 59.038 57.345 -0.025 0.000 1.244 314 W CB 0.246 29.675 29.460 -0.052 0.000 1.140 314 W HN 0.134 nan 8.180 nan 0.000 0.523 315 D N -0.274 120.174 120.400 0.080 0.000 2.348 315 D HA -0.068 4.572 4.640 -0.001 0.000 0.211 315 D C 0.946 177.242 176.300 -0.006 0.000 0.998 315 D CA 0.973 54.979 54.000 0.010 0.000 0.873 315 D CB -0.294 40.561 40.800 0.093 0.000 0.925 315 D HN 0.133 nan 8.370 nan 0.000 0.524 316 D N -0.593 119.813 120.400 0.010 0.000 2.369 316 D HA 0.043 4.683 4.640 -0.001 0.000 0.211 316 D C -0.115 176.206 176.300 0.035 0.000 1.077 316 D CA 0.358 54.390 54.000 0.053 0.000 0.842 316 D CB 0.526 41.362 40.800 0.059 0.000 0.947 316 D HN -0.060 nan 8.370 nan 0.000 0.509 317 T N 1.497 115.976 114.554 -0.125 0.000 2.770 317 T HA 0.289 4.638 4.350 -0.001 0.000 0.297 317 T C 0.043 174.478 174.700 -0.442 0.000 0.997 317 T CA -0.648 61.298 62.100 -0.257 0.000 0.949 317 T CB 1.445 70.180 68.868 -0.223 0.000 0.941 317 T HN -0.065 nan 8.240 nan 0.000 0.457 318 L N 5.987 126.823 121.223 -0.645 0.000 2.562 318 L HA 0.331 4.670 4.340 -0.001 0.000 0.271 318 L C -0.616 175.906 176.870 -0.580 0.000 1.167 318 L CA 0.501 54.806 54.840 -0.892 0.000 0.917 318 L CB -0.238 40.827 42.059 -1.655 0.000 1.187 318 L HN 0.568 nan 8.230 nan 0.000 0.482 319 I N 6.745 127.017 120.570 -0.496 0.000 2.354 319 I HA 0.364 4.533 4.170 -0.001 0.000 0.292 319 I C -0.370 175.585 176.117 -0.271 0.000 0.989 319 I CA -0.496 60.590 61.300 -0.356 0.000 1.188 319 I CB 1.404 39.156 38.000 -0.413 0.000 1.342 319 I HN 0.492 nan 8.210 nan 0.000 0.457 320 I N 6.188 126.636 120.570 -0.202 0.000 2.436 320 I HA 0.323 4.492 4.170 -0.001 0.000 0.289 320 I C -0.956 175.104 176.117 -0.096 0.000 1.010 320 I CA -0.596 60.604 61.300 -0.165 0.000 1.098 320 I CB 2.005 39.883 38.000 -0.205 0.000 1.266 320 I HN 0.430 nan 8.210 nan 0.000 0.434 321 F N 6.467 126.293 119.950 -0.207 0.000 2.426 321 F HA 0.684 5.211 4.527 -0.001 0.000 0.348 321 F C -0.199 175.438 175.800 -0.270 0.000 1.124 321 F CA 0.117 57.984 58.000 -0.221 0.000 1.008 321 F CB 1.453 40.333 39.000 -0.200 0.000 1.139 321 F HN 0.416 nan 8.300 nan 0.000 0.452 322 T N 3.437 117.387 114.554 -1.006 0.000 2.762 322 T HA 0.493 4.843 4.350 -0.001 0.000 0.301 322 T C -1.643 172.587 174.700 -0.784 0.000 1.299 322 T CA -0.543 61.108 62.100 -0.748 0.000 1.005 322 T CB 1.727 70.371 68.868 -0.374 0.000 1.377 322 T HN 0.642 nan 8.240 nan 0.000 0.504 323 S N 0.025 115.439 115.700 -0.476 0.000 2.568 323 S HA 0.414 4.883 4.470 -0.001 0.000 0.302 323 S C 0.816 175.275 174.600 -0.236 0.000 1.082 323 S CA -0.361 57.628 58.200 -0.352 0.000 1.009 323 S CB 1.398 64.454 63.200 -0.239 0.000 1.069 323 S HN 0.848 nan 8.310 nan 0.000 0.500 324 D N 1.839 122.077 120.400 -0.271 0.000 2.178 324 D HA -0.026 4.614 4.640 -0.001 0.000 0.202 324 D C 0.460 176.697 176.300 -0.105 0.000 0.974 324 D CA 1.615 55.506 54.000 -0.181 0.000 0.841 324 D CB -0.273 40.435 40.800 -0.152 0.000 0.953 324 D HN 0.799 nan 8.370 nan 0.000 0.478 325 H N -3.960 115.089 119.070 -0.035 0.000 2.917 325 H HA 0.605 5.161 4.556 -0.001 0.000 0.299 325 H C 0.263 175.561 175.328 -0.050 0.000 1.418 325 H CA -0.752 55.252 56.048 -0.074 0.000 1.138 325 H CB 0.905 30.596 29.762 -0.118 0.000 1.830 325 H HN 0.022 nan 8.280 nan 0.000 0.514 326 G N -0.945 107.924 108.800 0.115 0.000 2.504 326 G HA2 0.462 4.422 3.960 -0.001 0.000 0.257 326 G HA3 0.462 4.422 3.960 -0.001 0.000 0.257 326 G C -0.881 174.084 174.900 0.107 0.000 1.451 326 G CA -0.096 45.053 45.100 0.082 0.000 1.059 326 G HN 0.843 nan 8.290 nan 0.000 0.550 327 E N -2.255 117.935 120.200 -0.017 0.000 2.397 327 E HA 0.204 4.554 4.350 -0.001 0.000 0.293 327 E C 0.524 177.009 176.600 -0.191 0.000 0.930 327 E CA -0.532 55.814 56.400 -0.090 0.000 0.793 327 E CB 1.262 30.921 29.700 -0.068 0.000 1.259 327 E HN 0.172 nan 8.360 nan 0.000 0.406 328 Q N 2.578 122.248 119.800 -0.217 0.000 2.167 328 Q HA 0.042 4.381 4.340 -0.001 0.000 0.202 328 Q C 0.701 176.536 176.000 -0.275 0.000 0.970 328 Q CA 0.872 56.542 55.803 -0.221 0.000 0.855 328 Q CB -0.164 28.442 28.738 -0.221 0.000 0.911 328 Q HN 0.710 nan 8.270 nan 0.000 0.438 329 L N -0.478 120.528 121.223 -0.362 0.000 3.839 329 L HA -0.285 4.054 4.340 -0.001 0.000 0.416 329 L C 0.759 177.425 176.870 -0.339 0.000 1.195 329 L CA 1.540 56.105 54.840 -0.459 0.000 0.946 329 L CB -1.422 40.285 42.059 -0.588 0.000 1.891 329 L HN 0.500 nan 8.230 nan 0.000 0.963 330 G N -2.344 106.285 108.800 -0.285 0.000 2.241 330 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.244 330 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.244 330 G C 0.224 174.987 174.900 -0.228 0.000 0.998 330 G CA 0.095 45.059 45.100 -0.228 0.000 0.621 330 G HN 0.536 nan 8.290 nan 0.000 0.519 331 D N 1.216 121.477 120.400 -0.231 0.000 2.472 331 D HA 0.311 4.950 4.640 -0.001 0.000 0.237 331 D C 1.229 177.425 176.300 -0.172 0.000 1.141 331 D CA 0.467 54.312 54.000 -0.259 0.000 0.875 331 D CB -0.037 40.627 40.800 -0.226 0.000 1.192 331 D HN 0.428 nan 8.370 nan 0.000 0.450 332 H N 1.960 120.940 119.070 -0.150 0.000 2.776 332 H HA -0.232 4.324 4.556 -0.001 0.000 0.300 332 H C 0.204 175.564 175.328 0.053 0.000 1.161 332 H CA 1.295 57.317 56.048 -0.043 0.000 1.147 332 H CB -1.658 28.042 29.762 -0.104 0.000 1.366 332 H HN 0.764 nan 8.280 nan 0.000 0.397 333 H N -3.353 115.722 119.070 0.008 0.000 3.080 333 H HA -0.149 4.406 4.556 -0.001 0.000 0.254 333 H C 0.165 175.470 175.328 -0.039 0.000 1.179 333 H CA 0.959 57.002 56.048 -0.009 0.000 1.144 333 H CB -1.050 28.729 29.762 0.030 0.000 1.261 333 H HN 0.340 nan 8.280 nan 0.000 0.333 334 L N 0.841 122.062 121.223 -0.003 0.000 2.346 334 L HA 0.475 4.814 4.340 -0.001 0.000 0.274 334 L C -0.379 176.358 176.870 -0.221 0.000 1.007 334 L CA -1.130 53.660 54.840 -0.083 0.000 0.818 334 L CB 1.459 43.462 42.059 -0.093 0.000 1.284 334 L HN -0.075 nan 8.230 nan 0.000 0.424 335 L N 1.936 122.955 121.223 -0.341 0.000 2.334 335 L HA 0.892 5.231 4.340 -0.001 0.000 0.276 335 L C 0.550 177.117 176.870 -0.505 0.000 1.014 335 L CA -0.132 54.286 54.840 -0.703 0.000 0.815 335 L CB 0.871 42.043 42.059 -1.479 0.000 1.268 335 L HN 0.828 nan 8.230 nan 0.000 0.428 336 G N 2.479 111.096 108.800 -0.307 0.000 2.472 336 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.205 336 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.205 336 G C -0.930 173.878 174.900 -0.153 0.000 1.270 336 G CA -0.436 44.706 45.100 0.070 0.000 0.974 336 G HN 0.746 nan 8.290 nan 0.000 0.542 337 K N 0.392 120.651 120.400 -0.236 0.000 2.621 337 K HA 0.645 4.964 4.320 -0.001 0.000 0.233 337 K C -0.343 175.932 176.600 -0.542 0.000 0.972 337 K CA -0.512 55.518 56.287 -0.429 0.000 0.988 337 K CB 1.607 33.770 32.500 -0.563 0.000 1.187 337 K HN 1.766 nan 8.250 nan 0.000 0.471 338 I N -2.300 117.855 120.570 -0.692 0.000 2.984 338 I HA 0.708 4.877 4.170 -0.001 0.000 0.303 338 I C 0.260 175.791 176.117 -0.976 0.000 1.381 338 I CA 0.278 60.984 61.300 -0.989 0.000 0.988 338 I CB 1.155 38.490 38.000 -1.107 0.000 1.307 338 I HN 0.731 nan 8.210 nan 0.000 0.460 339 G N 4.037 112.135 108.800 -1.169 0.000 2.531 339 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.274 339 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.274 339 G C -0.125 174.740 174.900 -0.059 0.000 1.159 339 G CA 1.470 46.330 45.100 -0.400 0.000 0.969 339 G HN 1.794 nan 8.290 nan 0.000 0.554 340 Y N -0.430 119.918 120.300 0.079 0.000 2.610 340 Y HA 0.539 5.089 4.550 -0.000 0.000 0.254 340 Y C 0.631 176.638 175.900 0.179 0.000 1.110 340 Y CA -0.302 57.883 58.100 0.142 0.000 1.238 340 Y CB -0.516 37.936 38.460 -0.012 0.000 1.322 340 Y HN 0.435 nan 8.280 nan 0.000 0.547 341 N N 1.280 119.910 118.700 -0.117 0.000 2.479 341 N HA 0.335 5.074 4.740 -0.001 0.000 0.257 341 N C 1.265 176.853 175.510 0.131 0.000 1.232 341 N CA 0.464 53.465 53.050 -0.082 0.000 0.920 341 N CB 1.205 39.530 38.487 -0.269 0.000 1.105 341 N HN 0.408 nan 8.380 nan 0.000 0.444 342 A N 2.047 124.926 122.820 0.098 0.000 1.948 342 A HA -0.225 4.095 4.320 -0.001 0.000 0.220 342 A C 1.715 179.331 177.584 0.054 0.000 1.177 342 A CA 1.456 53.546 52.037 0.088 0.000 0.636 342 A CB -0.432 18.601 19.000 0.054 0.000 0.815 342 A HN 0.861 nan 8.150 nan 0.000 0.449 343 E N -0.367 119.849 120.200 0.026 0.000 2.481 343 E HA 0.015 4.364 4.350 -0.001 0.000 0.195 343 E C 1.541 178.099 176.600 -0.071 0.000 1.047 343 E CA 0.935 57.333 56.400 -0.003 0.000 0.867 343 E CB -0.432 29.266 29.700 -0.005 0.000 0.858 343 E HN 0.418 nan 8.360 nan 0.000 0.513 344 S N -0.094 115.526 115.700 -0.135 0.000 2.436 344 S HA 0.082 4.551 4.470 -0.001 0.000 0.228 344 S C 1.027 175.326 174.600 -0.501 0.000 1.014 344 S CA 0.611 58.591 58.200 -0.366 0.000 0.950 344 S CB -0.128 62.717 63.200 -0.592 0.000 0.784 344 S HN 0.283 nan 8.310 nan 0.000 0.504 345 F N 0.520 120.325 119.950 -0.243 0.000 2.680 345 F HA 0.350 4.876 4.527 -0.001 0.000 0.290 345 F C 0.986 176.611 175.800 -0.292 0.000 1.114 345 F CA -0.349 57.438 58.000 -0.356 0.000 1.333 345 F CB 0.235 38.716 39.000 -0.865 0.000 1.091 345 F HN -0.269 nan 8.300 nan 0.000 0.606 346 R N 2.208 122.682 120.500 -0.043 0.000 2.347 346 R HA 0.463 4.803 4.340 -0.001 0.000 0.304 346 R C -0.500 175.828 176.300 0.046 0.000 1.072 346 R CA -0.040 56.057 56.100 -0.006 0.000 0.980 346 R CB 0.335 30.655 30.300 0.034 0.000 0.986 346 R HN 0.220 nan 8.270 nan 0.000 0.448 347 I N 0.064 120.672 120.570 0.064 0.000 3.074 347 I HA 0.637 4.807 4.170 -0.001 0.000 0.310 347 I C -2.679 173.516 176.117 0.131 0.000 1.153 347 I CA -3.523 57.827 61.300 0.084 0.000 0.993 347 I CB 2.468 40.489 38.000 0.036 0.000 1.237 347 I HN 0.313 nan 8.210 nan 0.000 0.443 348 P HA 0.402 nan 4.420 nan 0.000 0.274 348 P C -1.195 176.082 177.300 -0.038 0.000 1.231 348 P CA -0.250 62.868 63.100 0.030 0.000 0.790 348 P CB 0.876 32.559 31.700 -0.029 0.000 0.951 349 L N 3.317 124.511 121.223 -0.049 0.000 2.528 349 L HA 0.479 4.819 4.340 -0.001 0.000 0.267 349 L C -1.618 175.267 176.870 0.025 0.000 0.961 349 L CA -0.483 54.228 54.840 -0.215 0.000 0.866 349 L CB 1.804 43.385 42.059 -0.797 0.000 1.248 349 L HN 0.064 nan 8.230 nan 0.000 0.404 350 V N 6.139 126.084 119.914 0.051 0.000 2.656 350 V HA 0.621 4.741 4.120 -0.001 0.000 0.307 350 V C -0.335 175.765 176.094 0.010 0.000 1.051 350 V CA -0.440 61.899 62.300 0.065 0.000 0.893 350 V CB 2.058 33.888 31.823 0.012 0.000 0.999 350 V HN 0.618 nan 8.190 nan 0.000 0.426 351 I N 4.034 124.613 120.570 0.015 0.000 2.512 351 I HA 0.472 4.641 4.170 -0.001 0.000 0.287 351 I C -0.483 175.573 176.117 -0.103 0.000 1.069 351 I CA -0.610 60.652 61.300 -0.064 0.000 1.056 351 I CB 2.074 40.061 38.000 -0.021 0.000 1.229 351 I HN 0.518 nan 8.210 nan 0.000 0.429 352 K N 5.479 125.759 120.400 -0.200 0.000 2.316 352 K HA 0.237 4.556 4.320 -0.001 0.000 0.267 352 K C -0.630 175.795 176.600 -0.292 0.000 1.025 352 K CA -0.507 55.642 56.287 -0.230 0.000 0.896 352 K CB 1.191 33.498 32.500 -0.321 0.000 1.124 352 K HN 0.516 nan 8.250 nan 0.000 0.451 353 D N 2.593 122.884 120.400 -0.182 0.000 2.369 353 D HA 0.125 4.765 4.640 -0.001 0.000 0.241 353 D C -0.412 175.821 176.300 -0.112 0.000 1.271 353 D CA -0.070 53.847 54.000 -0.137 0.000 0.942 353 D CB 1.036 41.858 40.800 0.037 0.000 1.129 353 D HN 0.637 nan 8.370 nan 0.000 0.476 354 A N 0.029 122.893 122.820 0.072 0.000 2.445 354 A HA 0.558 4.877 4.320 -0.001 0.000 0.242 354 A C 0.947 178.562 177.584 0.052 0.000 1.075 354 A CA 0.588 52.679 52.037 0.090 0.000 0.777 354 A CB -0.452 18.725 19.000 0.295 0.000 1.013 354 A HN 0.945 nan 8.150 nan 0.000 0.493 355 G N 0.278 109.090 108.800 0.020 0.000 2.693 355 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.226 355 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.226 355 G C -0.033 174.882 174.900 0.024 0.000 1.354 355 G CA 0.237 45.355 45.100 0.031 0.000 0.873 355 G HN 1.135 nan 8.290 nan 0.000 0.562 356 Q N 0.520 120.336 119.800 0.025 0.000 2.286 356 Q HA 0.228 4.567 4.340 -0.001 0.000 0.267 356 Q C 0.533 176.533 176.000 0.001 0.000 1.028 356 Q CA -0.037 55.778 55.803 0.019 0.000 0.901 356 Q CB 0.014 28.759 28.738 0.012 0.000 1.183 356 Q HN 0.479 nan 8.270 nan 0.000 0.392 357 N N 3.346 122.045 118.700 -0.003 0.000 2.411 357 N HA 0.011 4.750 4.740 -0.001 0.000 0.259 357 N C 0.725 176.203 175.510 -0.053 0.000 1.103 357 N CA -0.186 52.855 53.050 -0.015 0.000 0.954 357 N CB 0.848 39.332 38.487 -0.005 0.000 1.085 357 N HN 0.568 nan 8.380 nan 0.000 0.485 358 R N 1.971 122.405 120.500 -0.110 0.000 2.140 358 R HA -0.199 4.140 4.340 -0.001 0.000 0.250 358 R C 0.510 176.606 176.300 -0.339 0.000 1.150 358 R CA 1.577 57.526 56.100 -0.251 0.000 0.966 358 R CB -0.031 30.051 30.300 -0.363 0.000 0.869 358 R HN 0.658 nan 8.270 nan 0.000 0.445 359 H N -0.536 118.523 119.070 -0.018 0.000 2.507 359 H HA 0.269 4.824 4.556 -0.001 0.000 0.294 359 H C -0.135 175.171 175.328 -0.036 0.000 1.064 359 H CA 0.266 56.294 56.048 -0.032 0.000 1.138 359 H CB 0.105 29.838 29.762 -0.048 0.000 1.515 359 H HN 0.268 nan 8.280 nan 0.000 0.547 360 A N 0.489 123.333 122.820 0.039 0.000 2.584 360 A HA 0.304 4.624 4.320 -0.001 0.000 0.239 360 A C 1.633 179.235 177.584 0.029 0.000 1.043 360 A CA 1.043 53.091 52.037 0.019 0.000 0.756 360 A CB -0.351 18.654 19.000 0.009 0.000 0.963 360 A HN 0.645 nan 8.150 nan 0.000 0.511 361 G N 1.447 110.252 108.800 0.008 0.000 2.205 361 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.261 361 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.261 361 G C 0.323 175.312 174.900 0.148 0.000 0.980 361 G CA 0.799 45.940 45.100 0.069 0.000 0.632 361 G HN 0.983 nan 8.290 nan 0.000 0.533 362 Q N -0.527 119.311 119.800 0.065 0.000 2.317 362 Q HA 0.692 5.031 4.340 -0.001 0.000 0.229 362 Q C 0.081 176.076 176.000 -0.009 0.000 0.984 362 Q CA -0.217 55.608 55.803 0.036 0.000 0.911 362 Q CB 1.214 29.959 28.738 0.012 0.000 1.217 362 Q HN 0.438 nan 8.270 nan 0.000 0.501 363 I N 1.239 121.784 120.570 -0.041 0.000 2.389 363 I HA 0.177 4.346 4.170 -0.001 0.000 0.288 363 I C -0.569 175.450 176.117 -0.163 0.000 0.999 363 I CA -0.615 60.636 61.300 -0.082 0.000 1.129 363 I CB 1.790 39.779 38.000 -0.017 0.000 1.288 363 I HN 0.504 nan 8.210 nan 0.000 0.444 364 E N 4.571 124.590 120.200 -0.301 0.000 2.174 364 E HA 0.193 4.543 4.350 -0.001 0.000 0.282 364 E C 0.297 176.801 176.600 -0.161 0.000 0.992 364 E CA -0.069 56.132 56.400 -0.332 0.000 0.803 364 E CB 1.308 30.549 29.700 -0.764 0.000 1.090 364 E HN 0.447 nan 8.360 nan 0.000 0.396 365 E N 2.425 122.574 120.200 -0.084 0.000 2.299 365 E HA 0.176 4.525 4.350 -0.001 0.000 0.193 365 E C 0.421 176.993 176.600 -0.046 0.000 0.998 365 E CA 0.559 56.937 56.400 -0.037 0.000 0.851 365 E CB 0.026 29.692 29.700 -0.055 0.000 0.795 365 E HN 0.655 nan 8.360 nan 0.000 0.492 366 G N 0.429 109.227 108.800 -0.003 0.000 2.391 366 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.234 366 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.234 366 G C -0.567 174.456 174.900 0.205 0.000 1.284 366 G CA -0.395 44.747 45.100 0.070 0.000 0.873 366 G HN 0.013 nan 8.290 nan 0.000 0.549 367 F N 1.767 121.967 119.950 0.416 0.000 2.494 367 F HA 0.314 4.841 4.527 -0.001 0.000 0.369 367 F C 1.273 177.382 175.800 0.516 0.000 1.098 367 F CA -0.935 57.294 58.000 0.380 0.000 1.154 367 F CB 0.359 39.537 39.000 0.295 0.000 1.103 367 F HN 0.431 nan 8.300 nan 0.000 0.549 368 S N 2.590 118.626 115.700 0.560 0.000 2.532 368 S HA 0.775 5.245 4.470 -0.001 0.000 0.301 368 S C -0.743 174.039 174.600 0.304 0.000 1.083 368 S CA -0.966 57.515 58.200 0.467 0.000 1.025 368 S CB 2.283 65.616 63.200 0.222 0.000 1.056 368 S HN 0.581 nan 8.310 nan 0.000 0.494 369 E N 0.642 120.974 120.200 0.220 0.000 2.288 369 E HA 0.368 4.717 4.350 -0.001 0.000 0.268 369 E C 0.448 177.068 176.600 0.033 0.000 0.885 369 E CA -0.746 55.655 56.400 0.001 0.000 0.767 369 E CB 1.994 31.761 29.700 0.113 0.000 1.220 369 E HN 0.751 nan 8.360 nan 0.000 0.427 370 S N 1.772 117.411 115.700 -0.102 0.000 2.440 370 S HA -0.192 4.277 4.470 -0.001 0.000 0.238 370 S C 1.869 176.492 174.600 0.039 0.000 1.010 370 S CA 1.129 59.354 58.200 0.041 0.000 0.972 370 S CB -0.708 62.497 63.200 0.009 0.000 0.774 370 S HN 0.675 nan 8.310 nan 0.000 0.501 371 I N -0.677 119.884 120.570 -0.015 0.000 2.850 371 I HA -0.056 4.113 4.170 -0.001 0.000 0.266 371 I C 0.972 177.082 176.117 -0.012 0.000 1.257 371 I CA 1.300 62.565 61.300 -0.060 0.000 1.465 371 I CB -0.487 37.368 38.000 -0.242 0.000 1.091 371 I HN -0.003 nan 8.210 nan 0.000 0.467 372 D N 1.499 121.928 120.400 0.049 0.000 2.289 372 D HA -0.024 4.616 4.640 -0.001 0.000 0.207 372 D C 2.516 178.848 176.300 0.054 0.000 0.966 372 D CA 0.867 54.925 54.000 0.097 0.000 0.868 372 D CB 0.088 40.999 40.800 0.186 0.000 0.943 372 D HN 0.338 nan 8.370 nan 0.000 0.514 373 V N 1.533 121.460 119.914 0.023 0.000 2.295 373 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 373 V C 2.547 178.648 176.094 0.011 0.000 1.049 373 V CA 1.621 63.910 62.300 -0.019 0.000 1.024 373 V CB -0.510 31.295 31.823 -0.030 0.000 0.648 373 V HN 0.193 nan 8.190 nan 0.000 0.447 374 M N 0.606 120.222 119.600 0.027 0.000 2.086 374 M HA -0.101 4.379 4.480 -0.001 0.000 0.261 374 M C -0.358 175.960 176.300 0.031 0.000 1.067 374 M CA 2.330 57.648 55.300 0.031 0.000 1.116 374 M CB -1.089 31.527 32.600 0.027 0.000 1.348 374 M HN 0.201 nan 8.290 nan 0.000 0.407 375 P HA -0.107 nan 4.420 nan 0.000 0.218 375 P C 1.113 178.459 177.300 0.077 0.000 1.148 375 P CA 1.763 64.898 63.100 0.058 0.000 0.822 375 P CB -0.232 31.515 31.700 0.079 0.000 0.784 376 T N -0.585 114.013 114.554 0.073 0.000 2.674 376 T HA -0.104 4.246 4.350 -0.001 0.000 0.265 376 T C 1.773 176.533 174.700 0.100 0.000 1.039 376 T CA 1.136 63.284 62.100 0.081 0.000 1.150 376 T CB -0.878 68.003 68.868 0.021 0.000 0.864 376 T HN 0.081 nan 8.240 nan 0.000 0.427 377 I N 0.612 121.218 120.570 0.061 0.000 2.226 377 I HA -0.118 4.052 4.170 -0.001 0.000 0.245 377 I C 2.273 178.446 176.117 0.093 0.000 1.100 377 I CA 1.152 62.500 61.300 0.079 0.000 1.374 377 I CB -0.362 37.681 38.000 0.073 0.000 1.057 377 I HN 0.191 nan 8.210 nan 0.000 0.413 378 L N 0.217 121.468 121.223 0.046 0.000 2.072 378 L HA -0.198 4.142 4.340 -0.001 0.000 0.205 378 L C 2.588 179.481 176.870 0.038 0.000 1.079 378 L CA 1.343 56.190 54.840 0.011 0.000 0.752 378 L CB -0.507 41.547 42.059 -0.008 0.000 0.906 378 L HN 0.247 nan 8.230 nan 0.000 0.436 379 E N -0.400 119.844 120.200 0.073 0.000 2.058 379 E HA -0.300 4.049 4.350 -0.001 0.000 0.194 379 E C 2.058 178.713 176.600 0.092 0.000 0.997 379 E CA 1.597 58.042 56.400 0.075 0.000 0.801 379 E CB -0.221 29.538 29.700 0.098 0.000 0.746 379 E HN 0.438 nan 8.360 nan 0.000 0.450 380 W N 0.614 121.892 121.300 -0.038 0.000 2.392 380 W HA -0.085 4.574 4.660 -0.001 0.000 0.279 380 W C 1.371 177.843 176.519 -0.079 0.000 1.225 380 W CA 1.061 58.376 57.345 -0.050 0.000 1.233 380 W CB 0.079 29.506 29.460 -0.055 0.000 1.122 380 W HN 0.081 nan 8.180 nan 0.000 0.561 381 L N 0.064 121.313 121.223 0.044 0.000 2.591 381 L HA 0.250 4.589 4.340 -0.001 0.000 0.228 381 L C 1.884 178.678 176.870 -0.128 0.000 1.133 381 L CA 0.770 55.531 54.840 -0.132 0.000 0.880 381 L CB -0.694 41.216 42.059 -0.248 0.000 1.033 381 L HN 0.263 nan 8.230 nan 0.000 0.450 382 G N -0.691 108.046 108.800 -0.106 0.000 2.176 382 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.232 382 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.232 382 G C 0.564 175.443 174.900 -0.035 0.000 0.986 382 G CA -0.225 44.828 45.100 -0.078 0.000 0.643 382 G HN 0.487 nan 8.290 nan 0.000 0.522 383 G N -0.651 108.134 108.800 -0.025 0.000 2.535 383 G HA2 0.555 4.514 3.960 -0.001 0.000 0.282 383 G HA3 0.555 4.514 3.960 -0.001 0.000 0.282 383 G C -0.296 174.600 174.900 -0.006 0.000 1.350 383 G CA -0.285 44.808 45.100 -0.013 0.000 1.039 383 G HN 0.245 nan 8.290 nan 0.000 0.509 384 E N -0.188 120.009 120.200 -0.005 0.000 2.191 384 E HA 0.280 4.630 4.350 -0.001 0.000 0.274 384 E C -0.335 176.264 176.600 -0.002 0.000 0.948 384 E CA -0.403 55.995 56.400 -0.003 0.000 0.802 384 E CB 1.537 31.230 29.700 -0.011 0.000 1.137 384 E HN 0.260 nan 8.360 nan 0.000 0.397 385 T N 4.487 119.045 114.554 0.007 0.000 2.867 385 T HA 0.142 4.492 4.350 -0.001 0.000 0.297 385 T C -2.098 172.594 174.700 -0.013 0.000 0.989 385 T CA -0.759 61.346 62.100 0.009 0.000 1.159 385 T CB 0.030 68.913 68.868 0.025 0.000 0.928 385 T HN 0.120 nan 8.240 nan 0.000 0.538 386 P HA 0.300 nan 4.420 nan 0.000 0.271 386 P C 0.760 178.035 177.300 -0.042 0.000 1.218 386 P CA -0.579 62.506 63.100 -0.024 0.000 0.780 386 P CB 0.727 32.423 31.700 -0.005 0.000 0.901 387 R N 2.366 122.814 120.500 -0.086 0.000 2.081 387 R HA -0.124 4.215 4.340 -0.001 0.000 0.235 387 R C 2.093 178.357 176.300 -0.060 0.000 1.131 387 R CA 2.079 58.090 56.100 -0.148 0.000 0.960 387 R CB -1.333 28.767 30.300 -0.332 0.000 0.856 387 R HN 0.595 nan 8.270 nan 0.000 0.436 388 A N -0.220 122.598 122.820 -0.003 0.000 2.024 388 A HA -0.107 4.212 4.320 -0.001 0.000 0.220 388 A C 0.824 178.431 177.584 0.038 0.000 1.164 388 A CA 0.921 52.984 52.037 0.043 0.000 0.643 388 A CB -0.719 18.334 19.000 0.089 0.000 0.806 388 A HN 0.396 nan 8.150 nan 0.000 0.451 389 C N 1.257 120.569 119.300 0.020 0.000 2.634 389 C HA 0.077 4.537 4.460 -0.001 0.000 0.418 389 C C 1.371 176.378 174.990 0.030 0.000 1.373 389 C CA -0.253 58.774 59.018 0.015 0.000 1.756 389 C CB -0.400 27.345 27.740 0.008 0.000 2.589 389 C HN 0.557 nan 8.230 nan 0.000 0.602 390 D N 1.599 122.006 120.400 0.012 0.000 2.194 390 D HA 0.016 4.655 4.640 -0.001 0.000 0.204 390 D C 1.353 177.650 176.300 -0.005 0.000 0.964 390 D CA 0.879 54.911 54.000 0.053 0.000 0.846 390 D CB 0.023 40.694 40.800 -0.215 0.000 0.962 390 D HN 0.782 nan 8.370 nan 0.000 0.490 391 G N -0.123 108.630 108.800 -0.079 0.000 2.580 391 G HA2 0.455 4.415 3.960 -0.001 0.000 0.278 391 G HA3 0.455 4.415 3.960 -0.001 0.000 0.278 391 G C -0.019 174.901 174.900 0.032 0.000 1.212 391 G CA -0.392 44.677 45.100 -0.052 0.000 0.939 391 G HN -0.060 nan 8.290 nan 0.000 0.513 392 R N -0.642 119.913 120.500 0.091 0.000 2.673 392 R HA 0.359 4.699 4.340 -0.001 0.000 0.281 392 R C -0.514 175.980 176.300 0.323 0.000 0.991 392 R CA -0.614 55.595 56.100 0.183 0.000 0.896 392 R CB 2.071 32.446 30.300 0.126 0.000 1.201 392 R HN 0.613 nan 8.270 nan 0.000 0.457 393 S N 2.510 118.377 115.700 0.277 0.000 2.525 393 S HA 0.063 4.533 4.470 -0.001 0.000 0.285 393 S C 1.315 176.118 174.600 0.337 0.000 1.283 393 S CA -0.306 58.041 58.200 0.245 0.000 1.072 393 S CB 0.328 63.638 63.200 0.183 0.000 0.867 393 S HN 0.538 nan 8.310 nan 0.000 0.492 394 L N 5.549 126.918 121.223 0.243 0.000 2.599 394 L HA 0.074 4.413 4.340 -0.001 0.000 0.230 394 L C 1.928 178.965 176.870 0.279 0.000 1.141 394 L CA 0.110 55.093 54.840 0.237 0.000 0.877 394 L CB -0.426 41.613 42.059 -0.032 0.000 1.009 394 L HN 0.714 nan 8.230 nan 0.000 0.447 395 L N 0.458 121.809 121.223 0.214 0.000 2.129 395 L HA -0.177 4.163 4.340 -0.001 0.000 0.212 395 L C -0.199 176.769 176.870 0.163 0.000 1.087 395 L CA 1.425 56.384 54.840 0.197 0.000 0.757 395 L CB -1.505 40.670 42.059 0.194 0.000 0.896 395 L HN 0.284 nan 8.230 nan 0.000 0.434 396 P HA -0.137 nan 4.420 nan 0.000 0.221 396 P C 1.387 178.613 177.300 -0.124 0.000 1.150 396 P CA 1.257 64.340 63.100 -0.028 0.000 0.800 396 P CB 0.013 31.648 31.700 -0.109 0.000 0.787 397 F N -0.922 118.964 119.950 -0.107 0.000 2.234 397 F HA -0.060 4.466 4.527 -0.001 0.000 0.299 397 F C 1.907 177.612 175.800 -0.157 0.000 1.087 397 F CA 0.962 58.854 58.000 -0.180 0.000 1.340 397 F CB -0.866 38.058 39.000 -0.127 0.000 1.031 397 F HN -0.188 nan 8.300 nan 0.000 0.500 398 L N -1.228 120.110 121.223 0.191 0.000 2.599 398 L HA 0.111 4.450 4.340 -0.001 0.000 0.230 398 L C 1.597 178.655 176.870 0.313 0.000 1.141 398 L CA 0.219 55.217 54.840 0.264 0.000 0.877 398 L CB -0.888 41.299 42.059 0.213 0.000 1.009 398 L HN 0.137 nan 8.230 nan 0.000 0.447 399 A N 0.006 122.953 122.820 0.212 0.000 3.078 399 A HA 0.207 4.526 4.320 -0.001 0.000 0.206 399 A C 1.645 179.349 177.584 0.201 0.000 1.967 399 A CA -0.191 51.943 52.037 0.161 0.000 1.845 399 A CB -0.034 19.012 19.000 0.076 0.000 1.345 399 A HN 0.074 nan 8.150 nan 0.000 0.393 400 E N 0.072 120.312 120.200 0.067 0.000 2.285 400 E HA 0.302 4.651 4.350 -0.001 0.000 0.194 400 E C 0.963 177.552 176.600 -0.020 0.000 0.997 400 E CA 1.024 57.445 56.400 0.035 0.000 0.845 400 E CB -0.058 29.635 29.700 -0.012 0.000 0.782 400 E HN 0.942 nan 8.360 nan 0.000 0.491 401 G N 0.871 109.591 108.800 -0.133 0.000 2.298 401 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.309 401 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.309 401 G C -1.082 173.470 174.900 -0.579 0.000 1.279 401 G CA -0.545 44.370 45.100 -0.308 0.000 1.042 401 G HN 0.057 nan 8.290 nan 0.000 0.480 402 K N 1.254 121.251 120.400 -0.672 0.000 2.472 402 K HA 0.343 4.663 4.320 -0.001 0.000 0.280 402 K C -1.902 174.395 176.600 -0.506 0.000 1.028 402 K CA -0.529 55.177 56.287 -0.968 0.000 1.045 402 K CB 0.163 32.380 32.500 -0.472 0.000 0.902 402 K HN 0.225 nan 8.250 nan 0.000 0.478 403 P HA -0.040 nan 4.420 nan 0.000 0.269 403 P C 0.104 177.433 177.300 0.049 0.000 1.215 403 P CA -0.177 62.876 63.100 -0.078 0.000 0.780 403 P CB 0.977 32.757 31.700 0.134 0.000 0.898 404 S N 0.059 115.788 115.700 0.048 0.000 2.507 404 S HA -0.127 4.342 4.470 -0.001 0.000 0.235 404 S C 0.859 175.529 174.600 0.116 0.000 0.988 404 S CA 1.010 59.250 58.200 0.066 0.000 0.944 404 S CB -0.697 62.527 63.200 0.040 0.000 0.762 404 S HN 0.594 nan 8.310 nan 0.000 0.526 405 D N -0.649 119.846 120.400 0.159 0.000 2.593 405 D HA 0.058 4.698 4.640 -0.001 0.000 0.241 405 D C -0.145 176.292 176.300 0.228 0.000 1.257 405 D CA -0.760 53.338 54.000 0.163 0.000 0.828 405 D CB -0.760 40.112 40.800 0.120 0.000 1.049 405 D HN 0.530 nan 8.370 nan 0.000 0.490 406 W N 3.047 124.406 121.300 0.098 0.000 2.150 406 W HA 0.184 4.843 4.660 -0.000 0.000 0.341 406 W C 0.724 177.364 176.519 0.202 0.000 1.276 406 W CA -0.666 56.779 57.345 0.165 0.000 1.238 406 W CB 0.919 30.488 29.460 0.181 0.000 1.128 406 W HN -0.032 nan 8.180 nan 0.000 0.581 407 R N 1.377 121.747 120.500 -0.217 0.000 2.640 407 R HA -0.001 4.338 4.340 -0.001 0.000 0.270 407 R C 0.822 177.298 176.300 0.294 0.000 1.024 407 R CA 1.015 57.138 56.100 0.039 0.000 1.085 407 R CB 0.107 30.407 30.300 0.001 0.000 0.963 407 R HN 0.480 nan 8.270 nan 0.000 0.426 408 T N -1.410 113.318 114.554 0.290 0.000 3.086 408 T HA 0.161 4.510 4.350 -0.001 0.000 0.250 408 T C -0.371 174.613 174.700 0.474 0.000 1.074 408 T CA -0.212 62.098 62.100 0.350 0.000 0.988 408 T CB 0.090 69.096 68.868 0.231 0.000 0.988 408 T HN 0.712 nan 8.240 nan 0.000 0.530 409 E N 0.422 120.798 120.200 0.293 0.000 2.340 409 E HA 0.642 4.991 4.350 -0.001 0.000 0.273 409 E C -1.135 175.202 176.600 -0.439 0.000 0.891 409 E CA -0.720 55.615 56.400 -0.109 0.000 0.757 409 E CB 1.983 31.524 29.700 -0.265 0.000 1.231 409 E HN 0.158 nan 8.360 nan 0.000 0.439 410 L N 2.457 123.240 121.223 -0.733 0.000 2.417 410 L HA 0.388 4.727 4.340 -0.001 0.000 0.268 410 L C -0.392 176.025 176.870 -0.754 0.000 1.158 410 L CA -0.088 54.442 54.840 -0.517 0.000 0.819 410 L CB 0.217 42.053 42.059 -0.372 0.000 1.112 410 L HN 0.547 nan 8.230 nan 0.000 0.458 411 H N 1.201 120.131 119.070 -0.233 0.000 2.717 411 H HA 0.633 5.188 4.556 -0.001 0.000 0.366 411 H C -1.269 173.998 175.328 -0.102 0.000 1.132 411 H CA -0.651 55.091 56.048 -0.510 0.000 1.180 411 H CB 1.542 30.697 29.762 -1.011 0.000 1.678 411 H HN 0.445 nan 8.280 nan 0.000 0.537 412 Y N -1.625 118.522 120.300 -0.255 0.000 2.638 412 Y HA 0.691 5.241 4.550 -0.000 0.000 0.335 412 Y C -1.218 174.601 175.900 -0.135 0.000 1.155 412 Y CA -1.244 56.770 58.100 -0.144 0.000 1.046 412 Y CB 1.718 39.973 38.460 -0.341 0.000 1.303 412 Y HN 0.498 nan 8.280 nan 0.000 0.460 413 E N 1.092 121.421 120.200 0.216 0.000 2.408 413 E HA 0.581 4.931 4.350 -0.001 0.000 0.275 413 E C -2.273 174.593 176.600 0.442 0.000 0.935 413 E CA -0.996 55.523 56.400 0.199 0.000 0.775 413 E CB 3.591 33.399 29.700 0.180 0.000 1.277 413 E HN 0.597 nan 8.360 nan 0.000 0.455 414 F N 1.640 121.696 119.950 0.177 0.000 2.573 414 F HA 0.274 4.800 4.527 -0.001 0.000 0.316 414 F C -1.485 174.434 175.800 0.199 0.000 1.148 414 F CA -0.650 57.512 58.000 0.270 0.000 0.940 414 F CB 1.470 40.712 39.000 0.402 0.000 1.214 414 F HN 0.328 nan 8.300 nan 0.000 0.448 415 D N 5.846 125.965 120.400 -0.467 0.000 2.217 415 D HA 0.268 4.907 4.640 -0.001 0.000 0.243 415 D C -0.612 175.201 176.300 -0.811 0.000 1.054 415 D CA -0.329 53.330 54.000 -0.568 0.000 0.838 415 D CB 1.339 41.957 40.800 -0.304 0.000 1.162 415 D HN 0.510 nan 8.370 nan 0.000 0.472 416 F N 1.952 121.592 119.950 -0.516 0.000 2.835 416 F HA 0.316 4.842 4.527 -0.002 0.000 0.342 416 F C 0.672 176.363 175.800 -0.181 0.000 1.202 416 F CA -1.165 56.624 58.000 -0.352 0.000 1.240 416 F CB -0.223 38.697 39.000 -0.134 0.000 1.005 416 F HN 0.091 nan 8.300 nan 0.000 0.507 417 R N -0.135 120.206 120.500 -0.265 0.000 2.734 417 R HA 0.106 4.445 4.340 -0.001 0.000 0.266 417 R C -0.762 175.482 176.300 -0.094 0.000 1.044 417 R CA -0.380 55.624 56.100 -0.160 0.000 1.128 417 R CB 0.256 30.457 30.300 -0.165 0.000 1.010 417 R HN 0.077 nan 8.270 nan 0.000 0.461 418 D N 1.392 121.743 120.400 -0.083 0.000 2.533 418 D HA 0.093 4.732 4.640 -0.001 0.000 0.236 418 D C 0.193 176.425 176.300 -0.114 0.000 1.137 418 D CA 0.240 54.185 54.000 -0.091 0.000 0.867 418 D CB 0.985 41.748 40.800 -0.063 0.000 1.170 418 D HN 0.470 nan 8.370 nan 0.000 0.474 419 V N 0.123 119.911 119.914 -0.211 0.000 3.181 419 V HA 0.482 4.601 4.120 -0.001 0.000 0.314 419 V C 0.989 176.895 176.094 -0.313 0.000 1.173 419 V CA -0.887 61.237 62.300 -0.293 0.000 1.052 419 V CB 1.206 32.711 31.823 -0.530 0.000 1.123 419 V HN 0.426 nan 8.190 nan 0.000 0.454 420 F N 0.251 120.097 119.950 -0.173 0.000 2.451 420 F HA 0.056 4.582 4.527 -0.001 0.000 0.299 420 F C 1.529 177.353 175.800 0.040 0.000 1.101 420 F CA 1.189 59.178 58.000 -0.018 0.000 1.436 420 F CB -0.996 38.053 39.000 0.081 0.000 1.074 420 F HN 0.620 nan 8.300 nan 0.000 0.553 421 Y N -0.940 119.033 120.300 -0.545 0.000 2.481 421 Y HA 0.515 5.065 4.550 -0.000 0.000 0.247 421 Y C -0.818 175.034 175.900 -0.080 0.000 1.151 421 Y CA -1.218 56.704 58.100 -0.296 0.000 1.238 421 Y CB -0.259 37.888 38.460 -0.522 0.000 1.179 421 Y HN 0.088 nan 8.280 nan 0.000 0.524 422 D N 0.314 120.557 120.400 -0.262 0.000 2.787 422 D HA 0.300 4.940 4.640 -0.001 0.000 0.215 422 D C -1.790 174.451 176.300 -0.098 0.000 1.246 422 D CA -0.297 53.682 54.000 -0.036 0.000 0.798 422 D CB 1.537 42.404 40.800 0.111 0.000 1.649 422 D HN 0.113 nan 8.370 nan 0.000 0.507 423 Q N 3.157 122.932 119.800 -0.042 0.000 3.064 423 Q HA 0.354 4.693 4.340 -0.001 0.000 0.258 423 Q C -2.115 173.757 176.000 -0.214 0.000 0.972 423 Q CA -1.364 54.383 55.803 -0.093 0.000 0.761 423 Q CB 1.924 30.639 28.738 -0.040 0.000 1.281 423 Q HN 0.209 nan 8.270 nan 0.000 0.455 424 P HA -0.127 nan 4.420 nan 0.000 0.230 424 P C 0.691 177.769 177.300 -0.371 0.000 1.158 424 P CA 1.010 63.613 63.100 -0.828 0.000 0.769 424 P CB 0.468 31.765 31.700 -0.672 0.000 0.807 425 Q N -0.679 119.030 119.800 -0.152 0.000 2.119 425 Q HA -0.106 4.233 4.340 -0.001 0.000 0.201 425 Q C 1.641 177.605 176.000 -0.060 0.000 0.972 425 Q CA 0.960 56.728 55.803 -0.058 0.000 0.847 425 Q CB -0.504 28.212 28.738 -0.035 0.000 0.903 425 Q HN 0.299 nan 8.270 nan 0.000 0.433 426 N N 0.010 118.669 118.700 -0.068 0.000 2.364 426 N HA -0.089 4.651 4.740 -0.001 0.000 0.183 426 N C 1.475 176.973 175.510 -0.020 0.000 1.022 426 N CA 1.033 54.067 53.050 -0.027 0.000 0.883 426 N CB -0.022 38.467 38.487 0.004 0.000 0.965 426 N HN 0.081 nan 8.380 nan 0.000 0.438 427 S N -0.217 115.438 115.700 -0.075 0.000 2.404 427 S HA -0.004 4.465 4.470 -0.001 0.000 0.223 427 S C 1.950 176.529 174.600 -0.035 0.000 1.040 427 S CA 0.709 58.897 58.200 -0.021 0.000 0.957 427 S CB 0.173 63.379 63.200 0.009 0.000 0.826 427 S HN 0.342 nan 8.310 nan 0.000 0.491 428 V N -0.963 118.912 119.914 -0.065 0.000 3.647 428 V HA 0.252 4.371 4.120 -0.001 0.000 0.279 428 V C -0.303 175.789 176.094 -0.004 0.000 1.314 428 V CA -0.257 62.024 62.300 -0.031 0.000 1.125 428 V CB -0.627 31.194 31.823 -0.005 0.000 0.907 428 V HN 0.292 nan 8.190 nan 0.000 0.434 429 Q N 0.532 120.329 119.800 -0.005 0.000 2.454 429 Q HA -0.160 4.179 4.340 -0.001 0.000 0.341 429 Q C -0.657 175.351 176.000 0.012 0.000 1.437 429 Q CA 0.889 56.693 55.803 0.001 0.000 0.935 429 Q CB -1.846 26.890 28.738 -0.003 0.000 1.164 429 Q HN 0.763 nan 8.270 nan 0.000 0.373 430 L N -0.339 120.897 121.223 0.022 0.000 2.376 430 L HA 0.583 4.922 4.340 -0.001 0.000 0.258 430 L C 0.592 177.462 176.870 0.001 0.000 1.013 430 L CA -0.852 54.003 54.840 0.024 0.000 0.822 430 L CB 2.071 44.168 42.059 0.064 0.000 1.388 430 L HN 0.326 nan 8.230 nan 0.000 0.413 431 S N -0.910 114.783 115.700 -0.011 0.000 2.672 431 S HA 0.192 4.661 4.470 -0.001 0.000 0.276 431 S C 0.577 175.145 174.600 -0.055 0.000 1.207 431 S CA -0.599 57.584 58.200 -0.027 0.000 1.002 431 S CB 1.435 64.622 63.200 -0.022 0.000 0.998 431 S HN 0.764 nan 8.310 nan 0.000 0.542 432 Q N 0.203 119.964 119.800 -0.065 0.000 2.167 432 Q HA -0.151 4.188 4.340 -0.001 0.000 0.202 432 Q C 0.285 176.208 176.000 -0.127 0.000 0.970 432 Q CA 1.557 57.300 55.803 -0.101 0.000 0.855 432 Q CB -0.538 28.152 28.738 -0.079 0.000 0.911 432 Q HN 0.667 nan 8.270 nan 0.000 0.438 433 D N 1.000 121.346 120.400 -0.089 0.000 2.371 433 D HA -0.060 4.579 4.640 -0.001 0.000 0.221 433 D C 0.286 176.529 176.300 -0.094 0.000 0.986 433 D CA 0.631 54.580 54.000 -0.086 0.000 0.899 433 D CB 0.108 40.876 40.800 -0.053 0.000 0.902 433 D HN 0.334 nan 8.370 nan 0.000 0.530 434 D N -1.006 119.333 120.400 -0.100 0.000 2.395 434 D HA 0.069 4.709 4.640 -0.001 0.000 0.213 434 D C 0.058 176.274 176.300 -0.140 0.000 1.110 434 D CA -0.045 53.911 54.000 -0.073 0.000 0.835 434 D CB 0.198 40.988 40.800 -0.017 0.000 0.965 434 D HN 0.063 nan 8.370 nan 0.000 0.505 435 C N 1.996 121.088 119.300 -0.346 0.000 2.565 435 C HA 0.464 4.924 4.460 -0.001 0.000 0.451 435 C C 0.709 174.897 174.990 -1.336 0.000 1.301 435 C CA -0.555 57.922 59.018 -0.902 0.000 1.638 435 C CB -1.901 25.337 27.740 -0.836 0.000 2.236 435 C HN 0.203 nan 8.230 nan 0.000 0.603 436 S N 1.006 116.337 115.700 -0.615 0.000 2.627 436 S HA 0.926 5.396 4.470 -0.001 0.000 0.283 436 S C -1.052 173.509 174.600 -0.066 0.000 1.127 436 S CA -0.692 57.298 58.200 -0.350 0.000 0.863 436 S CB 1.657 64.725 63.200 -0.221 0.000 1.121 436 S HN 0.470 nan 8.310 nan 0.000 0.479 437 L N -0.861 120.325 121.223 -0.061 0.000 2.376 437 L HA 1.009 5.349 4.340 -0.001 0.000 0.258 437 L C -0.605 176.192 176.870 -0.121 0.000 1.013 437 L CA -0.845 53.853 54.840 -0.236 0.000 0.822 437 L CB 1.407 43.074 42.059 -0.654 0.000 1.388 437 L HN 1.149 nan 8.230 nan 0.000 0.413 438 C N -0.087 119.119 119.300 -0.158 0.000 2.802 438 C HA 0.981 5.440 4.460 -0.001 0.000 0.307 438 C C -0.402 174.388 174.990 -0.333 0.000 1.222 438 C CA -0.818 58.113 59.018 -0.144 0.000 1.580 438 C CB 1.107 28.884 27.740 0.062 0.000 2.119 438 C HN 0.805 nan 8.230 nan 0.000 0.479 439 V N 3.157 122.746 119.914 -0.542 0.000 2.735 439 V HA 0.665 4.784 4.120 -0.001 0.000 0.310 439 V C -0.648 175.006 176.094 -0.733 0.000 1.061 439 V CA -0.473 61.387 62.300 -0.734 0.000 0.913 439 V CB 1.796 32.851 31.823 -1.280 0.000 1.005 439 V HN 0.922 nan 8.190 nan 0.000 0.428 440 I N 3.817 124.095 120.570 -0.487 0.000 2.512 440 I HA 0.575 4.744 4.170 -0.001 0.000 0.287 440 I C -0.787 175.177 176.117 -0.255 0.000 1.069 440 I CA -0.108 60.954 61.300 -0.397 0.000 1.056 440 I CB 1.780 39.705 38.000 -0.125 0.000 1.229 440 I HN 0.972 nan 8.210 nan 0.000 0.429 441 E N 6.063 126.063 120.200 -0.334 0.000 2.367 441 E HA 0.546 4.896 4.350 -0.001 0.000 0.273 441 E C -1.839 174.600 176.600 -0.269 0.000 0.903 441 E CA -0.448 55.813 56.400 -0.232 0.000 0.764 441 E CB 2.681 32.256 29.700 -0.209 0.000 1.252 441 E HN 0.657 nan 8.360 nan 0.000 0.446 442 D N 1.365 121.696 120.400 -0.115 0.000 2.867 442 D HA 0.152 4.792 4.640 -0.001 0.000 0.308 442 D C 0.401 176.758 176.300 0.096 0.000 1.202 442 D CA -0.421 53.572 54.000 -0.011 0.000 1.035 442 D CB 0.063 41.025 40.800 0.269 0.000 1.427 442 D HN 0.397 nan 8.370 nan 0.000 0.570 443 E N -0.372 119.993 120.200 0.275 0.000 2.130 443 E HA -0.132 4.217 4.350 -0.001 0.000 0.196 443 E C 1.131 177.723 176.600 -0.014 0.000 0.998 443 E CA 1.683 58.176 56.400 0.156 0.000 0.806 443 E CB -0.248 29.544 29.700 0.154 0.000 0.738 443 E HN 0.347 nan 8.360 nan 0.000 0.459 444 N N -1.337 117.323 118.700 -0.067 0.000 2.454 444 N HA 0.053 4.792 4.740 -0.001 0.000 0.177 444 N C -0.466 174.556 175.510 -0.813 0.000 1.049 444 N CA 0.507 53.322 53.050 -0.392 0.000 0.887 444 N CB 0.564 38.855 38.487 -0.327 0.000 1.095 444 N HN 0.119 nan 8.380 nan 0.000 0.446 445 Y N 0.046 120.255 120.300 -0.151 0.000 2.562 445 Y HA 0.405 4.955 4.550 -0.000 0.000 0.345 445 Y C -0.275 175.337 175.900 -0.481 0.000 1.045 445 Y CA -1.088 56.735 58.100 -0.462 0.000 1.028 445 Y CB 1.987 40.026 38.460 -0.702 0.000 1.297 445 Y HN -0.333 nan 8.280 nan 0.000 0.463 446 K N 2.450 122.628 120.400 -0.370 0.000 2.604 446 K HA 0.338 4.657 4.320 -0.001 0.000 0.247 446 K C -2.114 174.363 176.600 -0.205 0.000 0.956 446 K CA -0.678 55.479 56.287 -0.216 0.000 0.896 446 K CB 0.924 33.410 32.500 -0.023 0.000 1.131 446 K HN 0.682 nan 8.250 nan 0.000 0.440 447 Y N 4.089 124.276 120.300 -0.189 0.000 2.341 447 Y HA 0.329 4.878 4.550 -0.002 0.000 0.340 447 Y C -1.037 174.805 175.900 -0.097 0.000 0.997 447 Y CA -0.628 57.482 58.100 0.016 0.000 1.149 447 Y CB 1.122 39.718 38.460 0.226 0.000 1.171 447 Y HN 0.220 nan 8.280 nan 0.000 0.494 448 V N 7.440 127.025 119.914 -0.549 0.000 2.293 448 V HA 0.147 4.266 4.120 -0.001 0.000 0.275 448 V C -0.731 174.934 176.094 -0.714 0.000 1.021 448 V CA -0.694 61.244 62.300 -0.603 0.000 0.815 448 V CB 0.193 31.714 31.823 -0.503 0.000 1.025 448 V HN 0.742 nan 8.190 nan 0.000 0.448 449 H N 4.586 123.179 119.070 -0.796 0.000 2.604 449 H HA 0.534 5.089 4.556 -0.002 0.000 0.306 449 H C -0.898 174.295 175.328 -0.225 0.000 1.075 449 H CA -0.328 55.433 56.048 -0.478 0.000 1.357 449 H CB 0.596 30.166 29.762 -0.321 0.000 1.426 449 H HN 0.484 nan 8.280 nan 0.000 0.470 450 F N 3.687 123.341 119.950 -0.494 0.000 2.408 450 F HA 0.297 4.823 4.527 -0.002 0.000 0.344 450 F C 1.536 177.237 175.800 -0.165 0.000 1.112 450 F CA -0.142 57.753 58.000 -0.176 0.000 1.096 450 F CB 1.456 40.438 39.000 -0.031 0.000 1.129 450 F HN 0.772 nan 8.300 nan 0.000 0.486 451 A N 3.440 126.359 122.820 0.165 0.000 1.903 451 A HA -0.067 4.253 4.320 -0.001 0.000 0.219 451 A C 1.591 179.248 177.584 0.123 0.000 1.191 451 A CA 2.298 54.420 52.037 0.142 0.000 0.638 451 A CB -0.654 18.389 19.000 0.072 0.000 0.823 451 A HN 0.935 nan 8.150 nan 0.000 0.451 452 A N -2.278 120.634 122.820 0.154 0.000 2.524 452 A HA 0.609 4.928 4.320 -0.001 0.000 0.267 452 A C -0.004 177.635 177.584 0.092 0.000 0.881 452 A CA -0.391 51.708 52.037 0.103 0.000 1.077 452 A CB 0.179 19.226 19.000 0.077 0.000 1.220 452 A HN 0.272 nan 8.150 nan 0.000 0.488 453 L N -0.752 120.534 121.223 0.105 0.000 2.250 453 L HA 0.570 4.910 4.340 -0.001 0.000 0.252 453 L C -2.630 174.184 176.870 -0.094 0.000 1.054 453 L CA -2.763 52.043 54.840 -0.057 0.000 0.856 453 L CB 1.853 43.809 42.059 -0.172 0.000 1.443 453 L HN -0.056 nan 8.230 nan 0.000 0.427 454 P HA 0.206 nan 4.420 nan 0.000 0.275 454 P C -2.600 174.694 177.300 -0.011 0.000 1.228 454 P CA -1.021 62.008 63.100 -0.118 0.000 0.786 454 P CB 0.049 31.633 31.700 -0.194 0.000 0.927 455 P HA 0.320 nan 4.420 nan 0.000 0.280 455 P C -1.254 176.037 177.300 -0.016 0.000 1.272 455 P CA -0.153 62.954 63.100 0.013 0.000 0.819 455 P CB 0.640 32.375 31.700 0.060 0.000 1.122 456 L N 0.688 121.828 121.223 -0.139 0.000 2.370 456 L HA 0.590 4.929 4.340 -0.001 0.000 0.266 456 L C -0.507 176.185 176.870 -0.298 0.000 1.002 456 L CA -0.607 54.036 54.840 -0.328 0.000 0.818 456 L CB 0.964 42.706 42.059 -0.529 0.000 1.325 456 L HN 0.367 nan 8.230 nan 0.000 0.418 457 F N 2.474 122.024 119.950 -0.666 0.000 2.581 457 F HA 0.746 5.273 4.527 0.000 0.000 0.311 457 F C -1.615 173.769 175.800 -0.692 0.000 1.113 457 F CA -0.813 56.897 58.000 -0.484 0.000 0.935 457 F CB 1.610 40.506 39.000 -0.173 0.000 1.232 457 F HN 0.192 nan 8.300 nan 0.000 0.445 458 F N 3.414 122.958 119.950 -0.676 0.000 2.569 458 F HA 0.283 4.810 4.527 0.000 0.000 0.312 458 F C -0.532 174.977 175.800 -0.485 0.000 1.109 458 F CA -1.287 56.455 58.000 -0.430 0.000 0.919 458 F CB 1.462 40.310 39.000 -0.253 0.000 1.211 458 F HN 0.319 nan 8.300 nan 0.000 0.446 459 D N 3.684 124.062 120.400 -0.038 0.000 2.393 459 D HA 0.192 4.831 4.640 -0.001 0.000 0.232 459 D C 0.759 176.987 176.300 -0.120 0.000 1.192 459 D CA 0.086 54.061 54.000 -0.042 0.000 0.882 459 D CB 0.761 41.653 40.800 0.153 0.000 1.038 459 D HN 0.604 nan 8.370 nan 0.000 0.499 460 L N 2.883 123.968 121.223 -0.231 0.000 2.362 460 L HA -0.096 4.244 4.340 -0.001 0.000 0.219 460 L C 2.027 178.796 176.870 -0.168 0.000 1.134 460 L CA 0.563 55.290 54.840 -0.189 0.000 0.807 460 L CB -0.122 41.823 42.059 -0.190 0.000 0.927 460 L HN 0.236 nan 8.230 nan 0.000 0.447 461 K N 0.581 120.873 120.400 -0.180 0.000 2.007 461 K HA -0.003 4.317 4.320 -0.001 0.000 0.206 461 K C 2.163 178.727 176.600 -0.059 0.000 1.047 461 K CA 1.440 57.660 56.287 -0.112 0.000 0.937 461 K CB -0.360 32.076 32.500 -0.107 0.000 0.718 461 K HN 0.178 nan 8.250 nan 0.000 0.438 462 A N 0.093 122.897 122.820 -0.027 0.000 1.968 462 A HA -0.072 4.247 4.320 -0.001 0.000 0.217 462 A C 0.568 178.162 177.584 0.018 0.000 1.169 462 A CA 1.690 53.737 52.037 0.017 0.000 0.638 462 A CB -0.042 18.997 19.000 0.065 0.000 0.812 462 A HN 0.338 nan 8.150 nan 0.000 0.446 463 D N -1.903 118.493 120.400 -0.007 0.000 2.772 463 D HA 0.213 4.853 4.640 -0.001 0.000 0.326 463 D C -1.986 174.254 176.300 -0.100 0.000 1.207 463 D CA -1.465 52.543 54.000 0.013 0.000 0.777 463 D CB 0.753 41.599 40.800 0.077 0.000 1.169 463 D HN 0.060 nan 8.370 nan 0.000 0.506 464 P HA -0.128 nan 4.420 nan 0.000 0.221 464 P C 0.379 177.412 177.300 -0.444 0.000 1.145 464 P CA 1.094 63.994 63.100 -0.334 0.000 0.795 464 P CB 0.011 31.441 31.700 -0.449 0.000 0.775 465 H N -0.612 118.369 119.070 -0.148 0.000 2.505 465 H HA 0.205 4.760 4.556 -0.001 0.000 0.289 465 H C -0.110 174.861 175.328 -0.595 0.000 1.052 465 H CA -0.327 55.541 56.048 -0.299 0.000 1.156 465 H CB -0.238 29.361 29.762 -0.272 0.000 1.507 465 H HN 0.086 nan 8.280 nan 0.000 0.548 466 E N -0.744 119.115 120.200 -0.569 0.000 2.358 466 E HA -0.231 4.119 4.350 -0.001 0.000 0.246 466 E C -0.373 175.680 176.600 -0.912 0.000 1.127 466 E CA 0.015 55.674 56.400 -1.234 0.000 0.726 466 E CB -1.719 27.251 29.700 -1.217 0.000 1.272 466 E HN 0.471 nan 8.360 nan 0.000 0.390 467 F N 0.030 119.866 119.950 -0.191 0.000 2.619 467 F HA 0.077 4.603 4.527 -0.001 0.000 0.293 467 F C 1.182 177.076 175.800 0.156 0.000 1.119 467 F CA 0.595 58.624 58.000 0.049 0.000 1.445 467 F CB 0.798 39.851 39.000 0.089 0.000 1.119 467 F HN -0.130 nan 8.300 nan 0.000 0.573 468 S N 0.598 116.534 115.700 0.393 0.000 2.252 468 S HA 0.134 4.604 4.470 -0.001 0.000 0.187 468 S C -0.450 174.391 174.600 0.401 0.000 1.587 468 S CA -0.831 57.584 58.200 0.358 0.000 1.215 468 S CB -0.015 63.326 63.200 0.236 0.000 1.085 468 S HN 0.092 nan 8.310 nan 0.000 0.466 469 N N 2.567 121.504 118.700 0.395 0.000 2.301 469 N HA -0.022 4.717 4.740 -0.001 0.000 0.267 469 N C 0.424 175.934 175.510 -0.000 0.000 1.304 469 N CA 0.284 53.367 53.050 0.056 0.000 0.851 469 N CB 0.116 38.636 38.487 0.055 0.000 1.070 469 N HN 0.592 nan 8.380 nan 0.000 0.483 470 L N 2.746 123.919 121.223 -0.083 0.000 2.664 470 L HA 0.254 4.593 4.340 -0.001 0.000 0.233 470 L C 2.077 178.927 176.870 -0.032 0.000 1.113 470 L CA 0.095 54.864 54.840 -0.118 0.000 0.896 470 L CB -0.296 41.496 42.059 -0.445 0.000 1.163 470 L HN 0.557 nan 8.230 nan 0.000 0.497 471 A N 1.290 124.117 122.820 0.012 0.000 1.971 471 A HA -0.225 4.095 4.320 -0.001 0.000 0.222 471 A C 2.226 179.819 177.584 0.014 0.000 1.182 471 A CA 2.280 54.336 52.037 0.031 0.000 0.649 471 A CB -0.973 18.063 19.000 0.060 0.000 0.818 471 A HN 0.458 nan 8.150 nan 0.000 0.458 472 G N -1.510 107.302 108.800 0.020 0.000 2.838 472 G HA2 0.098 4.057 3.960 -0.001 0.000 0.210 472 G HA3 0.098 4.057 3.960 -0.001 0.000 0.210 472 G C 0.308 175.236 174.900 0.046 0.000 1.153 472 G CA 0.506 45.622 45.100 0.026 0.000 0.778 472 G HN 0.466 nan 8.290 nan 0.000 0.539 473 D N 1.166 121.611 120.400 0.076 0.000 2.401 473 D HA 0.120 4.759 4.640 -0.001 0.000 0.254 473 D C -1.193 175.188 176.300 0.136 0.000 1.192 473 D CA -1.722 52.360 54.000 0.137 0.000 0.885 473 D CB 2.071 43.013 40.800 0.237 0.000 1.147 473 D HN 0.044 nan 8.370 nan 0.000 0.478 474 P HA -0.013 nan 4.420 nan 0.000 0.226 474 P C 0.888 178.206 177.300 0.029 0.000 1.153 474 P CA 0.491 63.617 63.100 0.044 0.000 0.777 474 P CB 0.162 31.876 31.700 0.024 0.000 0.794 475 A N -0.989 121.864 122.820 0.055 0.000 1.972 475 A HA -0.156 4.163 4.320 -0.001 0.000 0.219 475 A C 1.384 178.836 177.584 -0.220 0.000 1.169 475 A CA 1.116 53.110 52.037 -0.072 0.000 0.635 475 A CB -1.569 17.378 19.000 -0.089 0.000 0.810 475 A HN 0.215 nan 8.150 nan 0.000 0.446 476 Y N -0.657 119.619 120.300 -0.040 0.000 2.583 476 Y HA 0.401 4.950 4.550 -0.002 0.000 0.294 476 Y C 2.168 177.943 175.900 -0.209 0.000 1.170 476 Y CA -0.172 57.861 58.100 -0.113 0.000 1.265 476 Y CB -0.314 38.093 38.460 -0.088 0.000 1.119 476 Y HN 0.330 nan 8.280 nan 0.000 0.522 477 A N 0.833 123.623 122.820 -0.050 0.000 1.873 477 A HA -0.267 4.052 4.320 -0.001 0.000 0.218 477 A C 2.437 179.937 177.584 -0.141 0.000 1.193 477 A CA 2.260 54.242 52.037 -0.093 0.000 0.629 477 A CB -0.993 17.969 19.000 -0.064 0.000 0.826 477 A HN 0.464 nan 8.150 nan 0.000 0.447 478 A N -0.974 121.768 122.820 -0.130 0.000 1.930 478 A HA 0.087 4.406 4.320 -0.001 0.000 0.217 478 A C 2.199 179.684 177.584 -0.165 0.000 1.175 478 A CA 1.366 53.326 52.037 -0.130 0.000 0.627 478 A CB -0.475 18.465 19.000 -0.100 0.000 0.815 478 A HN 0.467 nan 8.150 nan 0.000 0.443 479 L N -0.748 120.355 121.223 -0.200 0.000 2.044 479 L HA -0.124 4.216 4.340 -0.001 0.000 0.205 479 L C 2.543 179.146 176.870 -0.445 0.000 1.075 479 L CA 0.941 55.635 54.840 -0.245 0.000 0.747 479 L CB -0.398 41.508 42.059 -0.255 0.000 0.903 479 L HN 0.235 nan 8.230 nan 0.000 0.435 480 V N -0.132 119.358 119.914 -0.706 0.000 2.332 480 V HA -0.324 3.796 4.120 -0.001 0.000 0.248 480 V C 2.663 178.444 176.094 -0.522 0.000 1.055 480 V CA 1.889 63.684 62.300 -0.843 0.000 1.038 480 V CB -0.743 30.686 31.823 -0.657 0.000 0.651 480 V HN 0.476 nan 8.190 nan 0.000 0.450 481 R N 0.214 120.518 120.500 -0.326 0.000 2.094 481 R HA -0.252 4.088 4.340 -0.001 0.000 0.239 481 R C 2.046 178.210 176.300 -0.227 0.000 1.137 481 R CA 2.477 58.440 56.100 -0.229 0.000 0.943 481 R CB -0.568 29.637 30.300 -0.157 0.000 0.850 481 R HN 0.486 nan 8.270 nan 0.000 0.433 482 D N -0.705 119.565 120.400 -0.217 0.000 2.149 482 D HA -0.177 4.462 4.640 -0.001 0.000 0.198 482 D C 1.674 177.787 176.300 -0.311 0.000 0.990 482 D CA 1.363 55.222 54.000 -0.235 0.000 0.839 482 D CB -0.251 40.403 40.800 -0.244 0.000 0.948 482 D HN 0.376 nan 8.370 nan 0.000 0.460 483 Y N 0.577 120.719 120.300 -0.262 0.000 2.397 483 Y HA 0.136 4.685 4.550 -0.002 0.000 0.292 483 Y C 2.365 178.143 175.900 -0.202 0.000 1.115 483 Y CA 0.624 58.615 58.100 -0.182 0.000 1.208 483 Y CB -0.239 38.170 38.460 -0.084 0.000 1.046 483 Y HN -0.101 nan 8.280 nan 0.000 0.552 484 A N 0.144 122.763 122.820 -0.336 0.000 1.908 484 A HA -0.297 4.022 4.320 -0.001 0.000 0.218 484 A C 2.039 179.592 177.584 -0.050 0.000 1.181 484 A CA 2.119 54.068 52.037 -0.148 0.000 0.627 484 A CB -0.675 18.208 19.000 -0.196 0.000 0.818 484 A HN 0.526 nan 8.150 nan 0.000 0.445 485 Q N -0.692 119.053 119.800 -0.093 0.000 2.119 485 Q HA -0.140 4.199 4.340 -0.001 0.000 0.201 485 Q C 2.092 178.081 176.000 -0.019 0.000 0.972 485 Q CA 1.582 57.348 55.803 -0.061 0.000 0.847 485 Q CB -0.121 28.565 28.738 -0.086 0.000 0.903 485 Q HN 0.677 nan 8.270 nan 0.000 0.433 486 K N 0.400 120.782 120.400 -0.030 0.000 2.031 486 K HA -0.062 4.258 4.320 -0.001 0.000 0.205 486 K C 2.150 178.847 176.600 0.162 0.000 1.049 486 K CA 1.006 57.313 56.287 0.033 0.000 0.939 486 K CB -0.190 32.286 32.500 -0.040 0.000 0.717 486 K HN 0.107 nan 8.250 nan 0.000 0.438 487 A N 1.688 124.615 122.820 0.178 0.000 1.892 487 A HA -0.216 4.103 4.320 -0.001 0.000 0.218 487 A C 2.120 179.877 177.584 0.289 0.000 1.188 487 A CA 1.502 53.712 52.037 0.287 0.000 0.631 487 A CB -0.730 18.419 19.000 0.248 0.000 0.822 487 A HN 0.223 nan 8.150 nan 0.000 0.447 488 L N -0.128 121.171 121.223 0.126 0.000 2.042 488 L HA -0.108 4.231 4.340 -0.001 0.000 0.210 488 L C 2.602 179.505 176.870 0.055 0.000 1.076 488 L CA 2.471 57.343 54.840 0.054 0.000 0.749 488 L CB -0.977 41.082 42.059 0.000 0.000 0.893 488 L HN 0.327 nan 8.230 nan 0.000 0.432 489 S N -1.602 114.148 115.700 0.083 0.000 2.382 489 S HA -0.236 4.234 4.470 -0.001 0.000 0.228 489 S C 1.547 176.214 174.600 0.112 0.000 1.027 489 S CA 1.351 59.594 58.200 0.072 0.000 0.991 489 S CB -0.582 62.664 63.200 0.076 0.000 0.823 489 S HN 0.718 nan 8.310 nan 0.000 0.469 490 W N 3.018 124.320 121.300 0.002 0.000 2.355 490 W HA -0.091 4.568 4.660 -0.002 0.000 0.309 490 W C 2.024 178.545 176.519 0.003 0.000 1.206 490 W CA 1.060 58.407 57.345 0.004 0.000 1.284 490 W CB -0.287 29.141 29.460 -0.054 0.000 1.145 490 W HN 0.051 nan 8.180 nan 0.000 0.502 491 R N 0.150 120.476 120.500 -0.290 0.000 2.083 491 R HA -0.179 4.161 4.340 -0.001 0.000 0.237 491 R C 2.004 178.139 176.300 -0.275 0.000 1.137 491 R CA 1.522 57.342 56.100 -0.467 0.000 0.951 491 R CB -1.618 28.532 30.300 -0.250 0.000 0.851 491 R HN 0.285 nan 8.270 nan 0.000 0.434 492 L N 1.005 122.139 121.223 -0.149 0.000 1.989 492 L HA -0.093 4.247 4.340 -0.001 0.000 0.211 492 L C 2.269 179.059 176.870 -0.133 0.000 1.071 492 L CA 1.696 56.470 54.840 -0.112 0.000 0.749 492 L CB -1.065 40.954 42.059 -0.068 0.000 0.890 492 L HN 0.075 nan 8.230 nan 0.000 0.431 493 S N -1.633 113.982 115.700 -0.141 0.000 2.537 493 S HA -0.126 4.343 4.470 -0.001 0.000 0.240 493 S C 1.134 175.482 174.600 -0.420 0.000 0.981 493 S CA 0.723 58.788 58.200 -0.225 0.000 0.948 493 S CB -0.402 62.689 63.200 -0.181 0.000 0.759 493 S HN 0.448 nan 8.310 nan 0.000 0.531 494 H N -0.205 118.723 119.070 -0.238 0.000 2.567 494 H HA 0.459 5.014 4.556 -0.001 0.000 0.267 494 H C 0.499 175.714 175.328 -0.188 0.000 1.148 494 H CA -0.265 55.643 56.048 -0.233 0.000 1.031 494 H CB 0.020 29.542 29.762 -0.401 0.000 1.691 494 H HN 0.270 nan 8.280 nan 0.000 0.588 495 A N 0.959 123.724 122.820 -0.091 0.000 2.483 495 A HA -0.009 4.310 4.320 -0.001 0.000 0.238 495 A C 0.152 177.726 177.584 -0.018 0.000 1.070 495 A CA -0.190 51.810 52.037 -0.061 0.000 0.770 495 A CB -0.010 18.953 19.000 -0.063 0.000 1.008 495 A HN 0.420 nan 8.150 nan 0.000 0.497 496 D N -0.195 120.210 120.400 0.008 0.000 2.836 496 D HA -0.034 4.605 4.640 -0.001 0.000 0.220 496 D C 0.819 177.144 176.300 0.042 0.000 1.094 496 D CA 1.194 55.219 54.000 0.041 0.000 0.820 496 D CB 0.331 41.164 40.800 0.054 0.000 1.171 496 D HN 0.494 nan 8.370 nan 0.000 0.507 497 R N 1.956 122.491 120.500 0.059 0.000 2.659 497 R HA 0.151 4.491 4.340 -0.001 0.000 0.418 497 R C 1.249 177.623 176.300 0.122 0.000 1.076 497 R CA -0.365 55.776 56.100 0.069 0.000 1.093 497 R CB 0.187 30.502 30.300 0.026 0.000 1.400 497 R HN 0.268 nan 8.270 nan 0.000 0.583 498 T N 1.268 115.899 114.554 0.128 0.000 2.665 498 T HA -0.111 4.238 4.350 -0.001 0.000 0.268 498 T C 1.405 176.271 174.700 0.277 0.000 1.035 498 T CA 1.323 63.520 62.100 0.163 0.000 1.151 498 T CB 0.035 68.976 68.868 0.122 0.000 0.862 498 T HN 0.258 nan 8.240 nan 0.000 0.438 499 L N 0.547 121.917 121.223 0.246 0.000 2.966 499 L HA 0.204 4.543 4.340 -0.001 0.000 0.262 499 L C 2.137 179.141 176.870 0.223 0.000 1.165 499 L CA 0.196 55.211 54.840 0.291 0.000 0.978 499 L CB 0.034 42.173 42.059 0.133 0.000 1.337 499 L HN 0.285 nan 8.230 nan 0.000 0.563 500 T N -4.100 110.575 114.554 0.202 0.000 3.160 500 T HA -0.088 4.261 4.350 -0.001 0.000 0.257 500 T C 1.409 176.165 174.700 0.093 0.000 1.147 500 T CA 0.877 63.042 62.100 0.109 0.000 1.064 500 T CB -0.541 68.368 68.868 0.069 0.000 0.949 500 T HN 0.614 nan 8.240 nan 0.000 0.526 501 H N -2.105 116.958 119.070 -0.012 0.000 2.563 501 H HA 0.351 4.906 4.556 -0.001 0.000 0.264 501 H C -0.072 175.182 175.328 -0.123 0.000 0.957 501 H CA -0.627 55.361 56.048 -0.100 0.000 1.173 501 H CB -0.387 29.273 29.762 -0.170 0.000 1.420 501 H HN 0.339 nan 8.280 nan 0.000 0.551 502 Y N 2.038 122.048 120.300 -0.484 0.000 2.336 502 Y HA 0.339 4.888 4.550 -0.001 0.000 0.331 502 Y C 0.439 176.253 175.900 -0.143 0.000 1.211 502 Y CA -0.462 57.445 58.100 -0.322 0.000 1.346 502 Y CB 0.744 39.016 38.460 -0.315 0.000 1.271 502 Y HN 0.169 nan 8.280 nan 0.000 0.538 503 R N 1.337 121.889 120.500 0.087 0.000 2.515 503 R HA 0.203 4.542 4.340 -0.001 0.000 0.291 503 R C -0.700 175.625 176.300 0.041 0.000 1.046 503 R CA -0.904 55.224 56.100 0.045 0.000 0.914 503 R CB 1.911 32.224 30.300 0.022 0.000 1.191 503 R HN 0.681 nan 8.270 nan 0.000 0.435 504 S N 1.731 117.442 115.700 0.018 0.000 2.573 504 S HA 0.126 4.595 4.470 -0.001 0.000 0.297 504 S C 0.192 174.797 174.600 0.009 0.000 1.280 504 S CA 0.454 58.657 58.200 0.006 0.000 1.061 504 S CB 0.212 63.409 63.200 -0.004 0.000 0.812 504 S HN 0.716 nan 8.310 nan 0.000 0.500 505 S N 3.798 119.502 115.700 0.008 0.000 2.625 505 S HA 0.589 5.058 4.470 -0.001 0.000 0.271 505 S C -2.654 171.949 174.600 0.005 0.000 1.161 505 S CA -1.110 57.094 58.200 0.007 0.000 0.820 505 S CB 1.032 64.239 63.200 0.011 0.000 1.137 505 S HN 0.420 nan 8.310 nan 0.000 0.470 506 P HA 0.014 nan 4.420 nan 0.000 0.221 506 P C 0.644 177.946 177.300 0.004 0.000 1.145 506 P CA 1.136 64.238 63.100 0.003 0.000 0.795 506 P CB 0.002 31.704 31.700 0.003 0.000 0.775 507 Q N -1.175 118.629 119.800 0.006 0.000 2.360 507 Q HA 0.369 4.708 4.340 -0.001 0.000 0.202 507 Q C 1.069 177.075 176.000 0.009 0.000 0.915 507 Q CA 0.543 56.350 55.803 0.008 0.000 0.943 507 Q CB -0.033 28.711 28.738 0.009 0.000 1.064 507 Q HN 0.191 nan 8.270 nan 0.000 0.511 508 G N 0.172 108.977 108.800 0.009 0.000 2.466 508 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.316 508 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.316 508 G C -1.498 173.412 174.900 0.017 0.000 1.270 508 G CA -0.696 44.409 45.100 0.009 0.000 0.982 508 G HN 0.171 nan 8.290 nan 0.000 0.506 509 L N 0.753 121.989 121.223 0.021 0.000 2.462 509 L HA 0.678 5.018 4.340 -0.001 0.000 0.272 509 L C 0.879 177.789 176.870 0.066 0.000 1.166 509 L CA 1.460 56.325 54.840 0.042 0.000 0.880 509 L CB 0.954 43.035 42.059 0.036 0.000 1.142 509 L HN 1.148 nan 8.230 nan 0.000 0.473 510 T N 2.932 117.534 114.554 0.079 0.000 2.831 510 T HA 0.615 4.965 4.350 -0.001 0.000 0.287 510 T C -0.920 173.807 174.700 0.045 0.000 1.070 510 T CA -0.379 61.756 62.100 0.058 0.000 1.010 510 T CB 1.661 70.548 68.868 0.032 0.000 1.264 510 T HN 0.702 nan 8.240 nan 0.000 0.532 511 T N 1.241 115.788 114.554 -0.011 0.000 2.916 511 T HA 0.587 4.936 4.350 -0.001 0.000 0.298 511 T C -1.212 173.474 174.700 -0.023 0.000 1.031 511 T CA -0.532 61.513 62.100 -0.092 0.000 0.993 511 T CB 1.229 70.035 68.868 -0.103 0.000 1.045 511 T HN 0.484 nan 8.240 nan 0.000 0.454 512 R N 3.280 123.774 120.500 -0.011 0.000 2.265 512 R HA 0.346 4.685 4.340 -0.001 0.000 0.328 512 R C 1.968 178.294 176.300 0.044 0.000 0.969 512 R CA -0.556 55.558 56.100 0.024 0.000 0.832 512 R CB 0.551 30.862 30.300 0.018 0.000 1.139 512 R HN 0.756 nan 8.270 nan 0.000 0.457 513 N N 1.959 120.688 118.700 0.048 0.000 2.103 513 N HA -0.313 4.427 4.740 -0.001 0.000 0.200 513 N C 0.634 176.201 175.510 0.095 0.000 1.016 513 N CA 1.849 54.936 53.050 0.061 0.000 0.890 513 N CB -0.414 38.115 38.487 0.070 0.000 1.075 513 N HN 0.592 nan 8.380 nan 0.000 0.506 514 H N 0.000 119.067 119.070 -0.005 0.000 2.539 514 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 514 H CA 0.000 56.045 56.048 -0.006 0.000 1.023 514 H CB 0.000 29.760 29.762 -0.003 0.000 1.292 514 H HN 0.000 nan 8.280 nan 0.000 0.496