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 2c7f_1_E DATA FIRST_RESID 3 DATA SEQUENCE KARMTVDKDY KIAEIDKRIY GSFVEHLGRA VYDGLYQPGN SKSDEDGFRK DATA SEQUENCE DVIELVKELN VPIIRYPGGN FVSNYFWEDG VGPVEDRPRR LDLAWKSIEP DATA SEQUENCE NQVGINEFAK WCKKVNAEIM MAVNLGTRGI SDACNLLEYC NHPGGSKYSD DATA SEQUENCE MRIKHGVKEP HNIKVWCLGN AMDGPWQVGH KTMDEYGRIA EETARAMKMI DATA SEQUENCE DPSIELVACG SSSKDMPTFP QWEATVLDYA YDYVDYISLH QYYGNKENDT DATA SEQUENCE ADFLAKSDDL DDFIRSVIAT CDYIKAKKRS KKDIYLSFDE WNVWYHSNNE DATA SEQUENCE DANIMQNEPW RIAPPLLEDI YTFEDALLVG LMLITLMKHA DRIKIACLAQ DATA SEQUENCE LINVIAPIVT ERNGGAAWRQ TIFYPFMHAS KYGRGIVLQP VINSPLHDTS DATA SEQUENCE KHEDVTDIES VAIYNEEKEE VTIFAVNRNI HEDIVLVSDV RGXXXXRLLE DATA SEQUENCE HIVLEHQDLK IRNSVNGEEV YPKNSDKSSX XXXILTSMLR RASWNVIRIG 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.605 176.600 0.008 0.000 0.988 3 K CA 0.000 56.291 56.287 0.007 0.000 0.838 3 K CB 0.000 32.500 32.500 0.000 0.000 1.064 4 A N 0.029 122.851 122.820 0.004 0.000 2.374 4 A HA 0.831 5.152 4.320 0.001 0.000 0.305 4 A C -0.819 176.762 177.584 -0.005 0.000 1.053 4 A CA -0.334 51.705 52.037 0.003 0.000 0.726 4 A CB 1.555 20.559 19.000 0.007 0.000 1.229 4 A HN 0.972 nan 8.150 nan 0.000 0.431 5 R N 1.597 122.092 120.500 -0.007 0.000 2.368 5 R HA 0.871 5.211 4.340 0.001 0.000 0.302 5 R C -0.383 175.907 176.300 -0.017 0.000 1.002 5 R CA 0.320 56.413 56.100 -0.011 0.000 0.929 5 R CB 0.895 nan 30.300 nan 0.000 1.073 5 R HN 1.589 nan 8.270 nan 0.000 0.464 6 M N 1.055 120.642 119.600 -0.022 0.000 2.413 6 M HA 0.544 5.024 4.480 0.001 0.000 0.287 6 M C -1.288 174.994 176.300 -0.029 0.000 1.186 6 M CA -0.360 54.922 55.300 -0.031 0.000 0.927 6 M CB 2.813 35.392 32.600 -0.035 0.000 1.715 6 M HN 0.643 nan 8.290 nan 0.000 0.478 7 T N 3.328 117.860 114.554 -0.036 0.000 2.812 7 T HA 0.651 5.001 4.350 0.001 0.000 0.282 7 T C -1.759 172.922 174.700 -0.031 0.000 0.990 7 T CA -0.511 61.574 62.100 -0.025 0.000 0.960 7 T CB 1.122 69.980 68.868 -0.016 0.000 0.948 7 T HN 0.807 nan 8.240 nan 0.000 0.438 8 V N 3.879 123.784 119.914 -0.014 0.000 2.407 8 V HA 0.761 4.882 4.120 0.001 0.000 0.291 8 V C -1.333 174.772 176.094 0.019 0.000 1.018 8 V CA -0.644 61.649 62.300 -0.012 0.000 0.842 8 V CB 1.471 33.278 31.823 -0.027 0.000 0.996 8 V HN 0.941 nan 8.190 nan 0.000 0.426 9 D N 4.933 125.366 120.400 0.055 0.000 2.549 9 D HA 0.636 5.276 4.640 0.001 0.000 0.251 9 D C 0.824 177.185 176.300 0.102 0.000 1.153 9 D CA 0.191 54.251 54.000 0.099 0.000 0.861 9 D CB 2.474 43.395 40.800 0.203 0.000 1.207 9 D HN 0.683 nan 8.370 nan 0.000 0.543 10 K N 2.217 122.648 120.400 0.052 0.000 2.288 10 K HA -0.057 4.263 4.320 0.001 0.000 0.201 10 K C 1.059 177.679 176.600 0.033 0.000 1.048 10 K CA 1.381 57.690 56.287 0.036 0.000 0.956 10 K CB -0.543 31.966 32.500 0.014 0.000 0.746 10 K HN 0.563 nan 8.250 nan 0.000 0.461 11 D N -1.239 119.171 120.400 0.017 0.000 2.378 11 D HA 0.032 4.672 4.640 0.001 0.000 0.227 11 D C -0.554 175.707 176.300 -0.066 0.000 1.012 11 D CA 0.368 54.343 54.000 -0.042 0.000 0.905 11 D CB -0.108 40.636 40.800 -0.094 0.000 0.895 11 D HN 0.501 nan 8.370 nan 0.000 0.532 12 Y N 1.087 121.377 120.300 -0.017 0.000 2.836 12 Y HA 0.277 4.827 4.550 0.001 0.000 0.359 12 Y C -0.283 175.602 175.900 -0.024 0.000 1.060 12 Y CA -1.165 56.924 58.100 -0.019 0.000 1.161 12 Y CB -0.225 38.222 38.460 -0.022 0.000 1.225 12 Y HN -0.333 nan 8.280 nan 0.000 0.621 13 K N 1.515 122.018 120.400 0.172 0.000 2.185 13 K HA 0.350 4.670 4.320 0.001 0.000 0.271 13 K C 0.597 177.254 176.600 0.096 0.000 1.013 13 K CA -0.102 56.242 56.287 0.095 0.000 0.943 13 K CB 1.579 34.109 32.500 0.050 0.000 0.998 13 K HN 0.415 nan 8.250 nan 0.000 0.468 14 I N 0.379 120.973 120.570 0.041 0.000 2.899 14 I HA 0.187 4.357 4.170 0.001 0.000 0.257 14 I C 0.360 176.492 176.117 0.026 0.000 1.115 14 I CA 0.211 61.524 61.300 0.022 0.000 1.451 14 I CB 0.495 38.478 38.000 -0.028 0.000 1.251 14 I HN 0.697 nan 8.210 nan 0.000 0.456 15 A N 0.307 123.135 122.820 0.014 0.000 2.544 15 A HA 0.414 4.735 4.320 0.001 0.000 0.291 15 A C -1.290 176.296 177.584 0.003 0.000 1.055 15 A CA -0.548 51.498 52.037 0.016 0.000 0.651 15 A CB 0.754 19.769 19.000 0.024 0.000 1.296 15 A HN 0.096 nan 8.150 nan 0.000 0.431 16 E N 0.498 120.700 120.200 0.003 0.000 2.316 16 E HA 0.481 4.831 4.350 0.001 0.000 0.275 16 E C -0.700 175.894 176.600 -0.011 0.000 1.029 16 E CA -0.119 56.281 56.400 -0.002 0.000 0.871 16 E CB 0.413 30.113 29.700 -0.000 0.000 1.022 16 E HN 0.434 nan 8.360 nan 0.000 0.418 17 I N 4.119 124.685 120.570 -0.007 0.000 2.533 17 I HA -0.007 4.164 4.170 0.001 0.000 0.284 17 I C 0.296 176.402 176.117 -0.018 0.000 1.109 17 I CA 0.230 61.519 61.300 -0.018 0.000 1.412 17 I CB 0.582 38.591 38.000 0.015 0.000 1.396 17 I HN 0.585 nan 8.210 nan 0.000 0.543 18 D N 7.123 127.490 120.400 -0.055 0.000 2.295 18 D HA 0.027 4.668 4.640 0.001 0.000 0.248 18 D C 1.059 177.322 176.300 -0.061 0.000 1.154 18 D CA -0.332 53.639 54.000 -0.049 0.000 0.857 18 D CB 1.160 41.920 40.800 -0.067 0.000 1.117 18 D HN 0.538 nan 8.370 nan 0.000 0.468 19 K N 3.361 123.771 120.400 0.017 0.000 2.281 19 K HA -0.148 4.173 4.320 0.001 0.000 0.203 19 K C 1.193 177.827 176.600 0.057 0.000 1.046 19 K CA 0.849 57.198 56.287 0.104 0.000 0.938 19 K CB 0.076 32.655 32.500 0.131 0.000 0.737 19 K HN 0.273 nan 8.250 nan 0.000 0.458 20 R N 1.212 121.706 120.500 -0.011 0.000 2.339 20 R HA 0.029 4.369 4.340 0.001 0.000 0.199 20 R C 2.150 178.417 176.300 -0.056 0.000 1.018 20 R CA 0.950 57.044 56.100 -0.010 0.000 1.036 20 R CB -0.475 29.808 30.300 -0.028 0.000 0.899 20 R HN 0.531 nan 8.270 nan 0.000 0.473 21 I N -3.154 117.290 120.570 -0.210 0.000 3.291 21 I HA -0.087 4.083 4.170 0.001 0.000 0.279 21 I C 0.228 176.144 176.117 -0.335 0.000 1.294 21 I CA 0.900 62.016 61.300 -0.306 0.000 1.428 21 I CB 0.055 37.781 38.000 -0.457 0.000 1.070 21 I HN -0.064 nan 8.210 nan 0.000 0.478 22 Y N 2.430 122.768 120.300 0.062 0.000 2.746 22 Y HA 0.558 5.108 4.550 0.001 0.000 0.312 22 Y C 1.438 177.541 175.900 0.338 0.000 1.117 22 Y CA -0.909 57.238 58.100 0.077 0.000 1.324 22 Y CB -0.449 37.966 38.460 -0.075 0.000 1.173 22 Y HN 0.109 nan 8.280 nan 0.000 0.529 23 G N -0.450 108.560 108.800 0.350 0.000 2.580 23 G HA2 0.434 4.394 3.960 0.001 0.000 0.278 23 G HA3 0.434 4.394 3.960 0.001 0.000 0.278 23 G C -0.174 174.892 174.900 0.276 0.000 1.212 23 G CA -0.100 45.160 45.100 0.266 0.000 0.939 23 G HN 0.247 nan 8.290 nan 0.000 0.513 24 S N -1.802 113.988 115.700 0.149 0.000 2.998 24 S HA 0.788 5.259 4.470 0.001 0.000 0.323 24 S C -2.044 172.670 174.600 0.190 0.000 1.141 24 S CA -0.541 57.700 58.200 0.070 0.000 0.873 24 S CB 1.371 64.517 63.200 -0.090 0.000 1.315 24 S HN 0.963 nan 8.310 nan 0.000 0.637 25 F N 1.424 121.343 119.950 -0.052 0.000 2.623 25 F HA 0.642 5.169 4.527 0.001 0.000 0.323 25 F C -2.018 173.751 175.800 -0.052 0.000 1.158 25 F CA -0.768 57.215 58.000 -0.028 0.000 1.030 25 F CB 0.869 39.833 39.000 -0.061 0.000 1.280 25 F HN 0.281 nan 8.300 nan 0.000 0.474 26 V N 5.867 125.690 119.914 -0.151 0.000 2.378 26 V HA 0.436 4.556 4.120 0.001 0.000 0.288 26 V C -0.437 175.321 176.094 -0.560 0.000 1.016 26 V CA -0.637 61.418 62.300 -0.408 0.000 0.840 26 V CB 1.530 33.300 31.823 -0.089 0.000 0.994 26 V HN 0.795 nan 8.190 nan 0.000 0.431 27 E N 2.906 122.607 120.200 -0.831 0.000 2.202 27 E HA 0.354 4.704 4.350 0.001 0.000 0.272 27 E C -0.380 175.844 176.600 -0.627 0.000 0.951 27 E CA -0.824 55.211 56.400 -0.609 0.000 0.813 27 E CB 0.997 30.371 29.700 -0.544 0.000 1.151 27 E HN 0.731 nan 8.360 nan 0.000 0.398 28 H N 4.361 122.904 119.070 -0.878 0.000 3.392 28 H HA 0.136 4.692 4.556 0.001 0.000 0.253 28 H C -0.560 174.368 175.328 -0.668 0.000 1.682 28 H CA 0.316 55.785 56.048 -0.965 0.000 1.535 28 H CB -0.263 28.427 29.762 -1.786 0.000 1.823 28 H HN 0.253 nan 8.280 nan 0.000 0.576 29 L N 1.312 122.244 121.223 -0.484 0.000 2.464 29 L HA 0.383 4.723 4.340 0.001 0.000 0.266 29 L C 0.766 177.364 176.870 -0.453 0.000 0.965 29 L CA -0.169 54.344 54.840 -0.546 0.000 0.833 29 L CB 1.503 43.062 42.059 -0.832 0.000 1.296 29 L HN 0.716 nan 8.230 nan 0.000 0.405 30 G N 4.297 112.892 108.800 -0.341 0.000 2.672 30 G HA2 -0.360 3.600 3.960 0.001 0.000 0.324 30 G HA3 -0.360 3.600 3.960 0.001 0.000 0.324 30 G C 0.469 175.260 174.900 -0.182 0.000 1.286 30 G CA 0.644 45.595 45.100 -0.249 0.000 1.004 30 G HN 0.738 nan 8.290 nan 0.000 0.548 31 R N 1.215 121.591 120.500 -0.206 0.000 2.586 31 R HA 0.495 4.836 4.340 0.001 0.000 0.306 31 R C 2.304 178.462 176.300 -0.237 0.000 1.079 31 R CA 0.612 56.614 56.100 -0.163 0.000 1.083 31 R CB 0.124 30.346 30.300 -0.130 0.000 1.306 31 R HN 0.549 nan 8.270 nan 0.000 0.567 32 A N 0.457 123.080 122.820 -0.328 0.000 1.898 32 A HA -0.074 4.246 4.320 0.001 0.000 0.216 32 A C 1.909 179.231 177.584 -0.437 0.000 1.181 32 A CA 1.314 53.112 52.037 -0.399 0.000 0.620 32 A CB 0.064 18.771 19.000 -0.489 0.000 0.819 32 A HN 0.119 nan 8.150 nan 0.000 0.442 33 V N -2.048 117.561 119.914 -0.507 0.000 2.635 33 V HA 0.070 4.190 4.120 0.001 0.000 0.233 33 V C 0.575 176.391 176.094 -0.463 0.000 1.097 33 V CA 0.261 62.168 62.300 -0.655 0.000 1.134 33 V CB -0.887 30.276 31.823 -1.100 0.000 0.841 33 V HN 0.481 nan 8.190 nan 0.000 0.496 34 Y N 1.217 121.453 120.300 -0.106 0.000 2.335 34 Y HA 0.381 4.932 4.550 0.001 0.000 0.331 34 Y C 0.848 176.716 175.900 -0.054 0.000 1.094 34 Y CA -0.201 57.900 58.100 0.002 0.000 1.253 34 Y CB -0.086 38.389 38.460 0.024 0.000 1.203 34 Y HN 0.352 nan 8.280 nan 0.000 0.508 35 D N 0.497 120.950 120.400 0.088 0.000 2.837 35 D HA -0.169 4.472 4.640 0.001 0.000 0.230 35 D C 0.440 176.707 176.300 -0.054 0.000 1.152 35 D CA 1.403 55.406 54.000 0.004 0.000 0.736 35 D CB -0.902 39.902 40.800 0.007 0.000 1.084 35 D HN 0.896 nan 8.370 nan 0.000 0.429 36 G N -0.944 107.805 108.800 -0.085 0.000 3.193 36 G HA2 0.336 4.297 3.960 0.001 0.000 0.186 36 G HA3 0.336 4.297 3.960 0.001 0.000 0.186 36 G C 1.006 175.830 174.900 -0.127 0.000 1.536 36 G CA 0.037 45.053 45.100 -0.140 0.000 0.943 36 G HN 0.434 nan 8.290 nan 0.000 0.781 37 L N -1.362 119.731 121.223 -0.217 0.000 2.217 37 L HA 0.417 4.758 4.340 0.001 0.000 0.211 37 L C 0.853 177.703 176.870 -0.033 0.000 1.107 37 L CA 0.859 55.565 54.840 -0.223 0.000 0.783 37 L CB -0.490 41.118 42.059 -0.751 0.000 0.919 37 L HN 0.216 nan 8.230 nan 0.000 0.442 38 Y N 1.772 121.965 120.300 -0.178 0.000 2.388 38 Y HA 0.570 5.121 4.550 0.001 0.000 0.328 38 Y C -0.913 174.975 175.900 -0.021 0.000 0.963 38 Y CA -0.875 57.201 58.100 -0.040 0.000 1.240 38 Y CB 0.765 39.155 38.460 -0.116 0.000 1.118 38 Y HN 0.232 nan 8.280 nan 0.000 0.484 39 Q N 8.215 127.784 119.800 -0.384 0.000 2.891 39 Q HA 0.229 4.570 4.340 0.001 0.000 0.242 39 Q C -2.351 173.416 176.000 -0.389 0.000 0.959 39 Q CA -1.937 53.670 55.803 -0.327 0.000 0.707 39 Q CB 1.769 30.426 28.738 -0.135 0.000 1.283 39 Q HN 0.484 nan 8.270 nan 0.000 0.480 40 P HA -0.236 nan 4.420 nan 0.000 0.212 40 P C 1.251 178.433 177.300 -0.196 0.000 1.174 40 P CA 1.741 64.608 63.100 -0.388 0.000 0.934 40 P CB 0.131 31.656 31.700 -0.291 0.000 0.791 41 G N -1.556 107.162 108.800 -0.137 0.000 2.776 41 G HA2 -0.121 3.839 3.960 0.001 0.000 0.209 41 G HA3 -0.121 3.839 3.960 0.001 0.000 0.209 41 G C 0.695 175.554 174.900 -0.069 0.000 1.145 41 G CA -0.066 44.984 45.100 -0.083 0.000 0.791 41 G HN 0.252 nan 8.290 nan 0.000 0.530 42 N N 0.706 119.357 118.700 -0.081 0.000 2.530 42 N HA 0.032 4.772 4.740 0.001 0.000 0.273 42 N C 1.882 177.368 175.510 -0.040 0.000 1.173 42 N CA 0.493 53.510 53.050 -0.056 0.000 0.967 42 N CB 1.371 39.823 38.487 -0.058 0.000 1.109 42 N HN 0.096 nan 8.380 nan 0.000 0.453 43 S N 3.164 118.848 115.700 -0.027 0.000 2.399 43 S HA -0.122 4.348 4.470 0.001 0.000 0.231 43 S C 1.221 175.814 174.600 -0.011 0.000 1.022 43 S CA 1.101 59.291 58.200 -0.018 0.000 0.983 43 S CB -0.037 63.155 63.200 -0.013 0.000 0.803 43 S HN 0.577 nan 8.310 nan 0.000 0.480 44 K N 1.560 121.955 120.400 -0.008 0.000 2.487 44 K HA 0.298 4.619 4.320 0.001 0.000 0.192 44 K C 0.134 176.743 176.600 0.014 0.000 1.027 44 K CA 0.021 56.311 56.287 0.004 0.000 1.054 44 K CB 0.196 32.701 32.500 0.007 0.000 0.824 44 K HN 0.211 nan 8.250 nan 0.000 0.510 45 S N 1.801 117.501 115.700 -0.001 0.000 2.585 45 S HA 0.088 4.559 4.470 0.001 0.000 0.277 45 S C -0.198 174.406 174.600 0.007 0.000 1.241 45 S CA -1.072 57.132 58.200 0.005 0.000 1.041 45 S CB 0.999 64.168 63.200 -0.051 0.000 0.987 45 S HN 0.306 nan 8.310 nan 0.000 0.512 46 D N 0.888 121.311 120.400 0.037 0.000 2.356 46 D HA 0.032 4.673 4.640 0.001 0.000 0.258 46 D C 0.936 177.221 176.300 -0.026 0.000 1.279 46 D CA -0.385 53.632 54.000 0.027 0.000 1.016 46 D CB 0.158 41.008 40.800 0.082 0.000 1.107 46 D HN 0.638 nan 8.370 nan 0.000 0.544 47 E N -1.242 118.946 120.200 -0.020 0.000 2.358 47 E HA -0.091 4.260 4.350 0.001 0.000 0.195 47 E C 0.489 177.038 176.600 -0.085 0.000 1.010 47 E CA 0.561 56.938 56.400 -0.038 0.000 0.856 47 E CB -0.190 29.505 29.700 -0.008 0.000 0.795 47 E HN 0.361 nan 8.360 nan 0.000 0.504 48 D N 0.146 120.452 120.400 -0.156 0.000 2.349 48 D HA 0.043 4.683 4.640 0.001 0.000 0.215 48 D C 1.259 177.247 176.300 -0.520 0.000 1.016 48 D CA 0.913 54.707 54.000 -0.343 0.000 0.870 48 D CB 0.835 41.350 40.800 -0.476 0.000 0.917 48 D HN 0.381 nan 8.370 nan 0.000 0.524 49 G N 0.496 109.069 108.800 -0.378 0.000 2.157 49 G HA2 -0.248 3.712 3.960 0.001 0.000 0.239 49 G HA3 -0.248 3.712 3.960 0.001 0.000 0.239 49 G C -0.024 174.708 174.900 -0.281 0.000 0.982 49 G CA -0.476 44.387 45.100 -0.394 0.000 0.650 49 G HN 0.150 nan 8.290 nan 0.000 0.527 50 F N 1.965 121.968 119.950 0.088 0.000 2.410 50 F HA 0.576 5.103 4.527 0.001 0.000 0.348 50 F C 1.237 177.088 175.800 0.084 0.000 1.106 50 F CA -1.450 56.637 58.000 0.145 0.000 1.163 50 F CB 0.660 39.849 39.000 0.315 0.000 1.129 50 F HN -0.128 nan 8.300 nan 0.000 0.516 51 R N 3.511 124.167 120.500 0.260 0.000 2.404 51 R HA 0.025 4.366 4.340 0.001 0.000 0.315 51 R C 1.026 177.420 176.300 0.158 0.000 1.032 51 R CA 0.104 56.289 56.100 0.143 0.000 0.992 51 R CB 0.303 30.654 30.300 0.085 0.000 0.959 51 R HN 0.756 nan 8.270 nan 0.000 0.428 52 K N 1.482 121.944 120.400 0.103 0.000 2.148 52 K HA -0.145 4.175 4.320 0.001 0.000 0.204 52 K C 1.285 177.909 176.600 0.041 0.000 1.050 52 K CA 1.652 57.983 56.287 0.073 0.000 0.942 52 K CB 0.156 32.685 32.500 0.049 0.000 0.724 52 K HN 0.574 nan 8.250 nan 0.000 0.446 53 D N 0.697 121.119 120.400 0.036 0.000 2.144 53 D HA -0.133 4.507 4.640 0.001 0.000 0.200 53 D C 1.839 178.150 176.300 0.018 0.000 0.978 53 D CA 0.890 54.901 54.000 0.019 0.000 0.833 53 D CB -0.613 40.196 40.800 0.014 0.000 0.961 53 D HN -0.041 nan 8.370 nan 0.000 0.470 54 V N 1.121 121.061 119.914 0.043 0.000 2.295 54 V HA -0.209 3.912 4.120 0.001 0.000 0.246 54 V C 2.758 178.884 176.094 0.053 0.000 1.049 54 V CA 1.256 63.592 62.300 0.060 0.000 1.024 54 V CB -0.479 31.410 31.823 0.110 0.000 0.648 54 V HN 0.171 nan 8.190 nan 0.000 0.447 55 I N -0.180 120.414 120.570 0.039 0.000 2.208 55 I HA -0.228 3.942 4.170 0.001 0.000 0.245 55 I C 2.625 178.673 176.117 -0.113 0.000 1.097 55 I CA 1.388 62.622 61.300 -0.110 0.000 1.363 55 I CB -0.409 37.515 38.000 -0.126 0.000 1.051 55 I HN 0.326 nan 8.210 nan 0.000 0.413 56 E N 0.635 120.805 120.200 -0.049 0.000 2.106 56 E HA -0.146 4.205 4.350 0.001 0.000 0.192 56 E C 2.321 178.916 176.600 -0.008 0.000 0.984 56 E CA 1.120 57.499 56.400 -0.034 0.000 0.806 56 E CB -0.307 29.385 29.700 -0.014 0.000 0.750 56 E HN 0.515 nan 8.360 nan 0.000 0.458 57 L N 0.229 121.458 121.223 0.011 0.000 2.156 57 L HA -0.109 4.232 4.340 0.001 0.000 0.208 57 L C 2.419 179.345 176.870 0.093 0.000 1.095 57 L CA 0.462 55.353 54.840 0.085 0.000 0.770 57 L CB -0.257 41.837 42.059 0.057 0.000 0.914 57 L HN -0.024 nan 8.230 nan 0.000 0.439 58 V N -0.292 119.605 119.914 -0.027 0.000 2.323 58 V HA -0.240 3.880 4.120 0.001 0.000 0.244 58 V C 2.429 178.440 176.094 -0.139 0.000 1.041 58 V CA 1.557 63.785 62.300 -0.120 0.000 1.025 58 V CB -0.481 31.216 31.823 -0.209 0.000 0.656 58 V HN 0.378 nan 8.190 nan 0.000 0.451 59 K N -0.179 120.140 120.400 -0.135 0.000 2.152 59 K HA -0.245 4.075 4.320 0.001 0.000 0.206 59 K C 2.214 178.781 176.600 -0.054 0.000 1.048 59 K CA 1.687 57.907 56.287 -0.111 0.000 0.933 59 K CB -0.129 32.306 32.500 -0.109 0.000 0.721 59 K HN 0.540 nan 8.250 nan 0.000 0.447 60 E N 0.935 121.137 120.200 0.002 0.000 2.072 60 E HA -0.145 4.206 4.350 0.001 0.000 0.191 60 E C 1.986 178.594 176.600 0.012 0.000 0.985 60 E CA 0.689 57.133 56.400 0.073 0.000 0.801 60 E CB 0.073 29.902 29.700 0.214 0.000 0.750 60 E HN 0.218 nan 8.360 nan 0.000 0.452 61 L N 0.764 121.923 121.223 -0.107 0.000 2.131 61 L HA -0.139 4.201 4.340 0.001 0.000 0.210 61 L C 0.742 177.563 176.870 -0.081 0.000 1.092 61 L CA 0.503 55.180 54.840 -0.271 0.000 0.759 61 L CB -0.322 41.443 42.059 -0.490 0.000 0.903 61 L HN 0.329 nan 8.230 nan 0.000 0.435 62 N N 0.560 119.218 118.700 -0.071 0.000 2.522 62 N HA -0.167 4.573 4.740 0.001 0.000 0.281 62 N C -1.228 174.301 175.510 0.032 0.000 1.267 62 N CA 0.156 53.182 53.050 -0.040 0.000 0.675 62 N CB -0.632 37.821 38.487 -0.057 0.000 0.890 62 N HN -0.037 nan 8.380 nan 0.000 0.542 63 V N 5.400 125.316 119.914 0.004 0.000 2.350 63 V HA 0.299 4.420 4.120 0.001 0.000 0.285 63 V C -1.314 174.796 176.094 0.026 0.000 1.014 63 V CA -1.120 61.220 62.300 0.065 0.000 0.831 63 V CB 1.724 33.548 31.823 0.002 0.000 1.000 63 V HN 0.350 nan 8.190 nan 0.000 0.433 64 P HA 0.141 nan 4.420 nan 0.000 0.222 64 P C 0.198 177.512 177.300 0.023 0.000 1.153 64 P CA 0.827 63.949 63.100 0.037 0.000 0.798 64 P CB 0.741 32.482 31.700 0.068 0.000 0.796 65 I N -0.909 119.691 120.570 0.050 0.000 2.656 65 I HA 0.379 4.549 4.170 0.001 0.000 0.292 65 I C -1.568 174.598 176.117 0.082 0.000 1.144 65 I CA -1.291 60.038 61.300 0.048 0.000 1.038 65 I CB 2.152 40.175 38.000 0.039 0.000 1.244 65 I HN -0.367 nan 8.210 nan 0.000 0.420 66 I N 6.844 127.478 120.570 0.106 0.000 2.447 66 I HA 0.451 4.621 4.170 0.001 0.000 0.287 66 I C -0.121 176.145 176.117 0.249 0.000 1.023 66 I CA -0.689 60.730 61.300 0.199 0.000 1.083 66 I CB 1.788 39.949 38.000 0.268 0.000 1.245 66 I HN 0.525 nan 8.210 nan 0.000 0.434 67 R N 5.241 125.898 120.500 0.261 0.000 2.491 67 R HA 0.342 4.683 4.340 0.001 0.000 0.283 67 R C -1.770 174.790 176.300 0.434 0.000 1.072 67 R CA 0.113 56.359 56.100 0.243 0.000 1.048 67 R CB 0.720 31.047 30.300 0.046 0.000 0.983 67 R HN 0.615 nan 8.270 nan 0.000 0.450 68 Y N 5.126 125.484 120.300 0.095 0.000 2.565 68 Y HA 0.262 4.812 4.550 0.001 0.000 0.330 68 Y C -2.425 173.453 175.900 -0.036 0.000 1.150 68 Y CA -1.801 56.258 58.100 -0.069 0.000 1.055 68 Y CB 2.359 40.580 38.460 -0.398 0.000 1.337 68 Y HN 0.512 nan 8.280 nan 0.000 0.457 69 P HA 0.395 nan 4.420 nan 0.000 0.263 69 P C -0.239 176.968 177.300 -0.155 0.000 1.448 69 P CA 0.594 63.092 63.100 -1.005 0.000 0.983 69 P CB 0.829 31.691 31.700 -1.396 0.000 1.481 70 G N -1.894 107.015 108.800 0.181 0.000 2.356 70 G HA2 0.517 4.477 3.960 0.001 0.000 0.294 70 G HA3 0.517 4.477 3.960 0.001 0.000 0.294 70 G C -0.702 174.337 174.900 0.231 0.000 1.423 70 G CA 0.043 45.390 45.100 0.411 0.000 0.806 70 G HN 0.271 nan 8.290 nan 0.000 0.527 71 G N -0.943 107.998 108.800 0.235 0.000 2.707 71 G HA2 -0.139 3.822 3.960 0.001 0.000 0.686 71 G HA3 -0.139 3.822 3.960 0.001 0.000 0.686 71 G C 0.588 175.736 174.900 0.413 0.000 1.315 71 G CA 0.391 45.790 45.100 0.499 0.000 0.832 71 G HN 1.029 nan 8.290 nan 0.000 0.573 72 N N -0.820 118.172 118.700 0.485 0.000 2.244 72 N HA -0.056 4.685 4.740 0.001 0.000 0.183 72 N C 2.131 177.778 175.510 0.229 0.000 1.016 72 N CA 1.305 54.529 53.050 0.291 0.000 0.866 72 N CB -0.093 38.456 38.487 0.105 0.000 0.980 72 N HN 0.515 nan 8.380 nan 0.000 0.430 73 F N 1.788 121.879 119.950 0.235 0.000 2.082 73 F HA -0.297 4.230 4.527 0.001 0.000 0.298 73 F C 2.183 178.042 175.800 0.097 0.000 1.091 73 F CA 1.284 59.390 58.000 0.178 0.000 1.230 73 F CB -0.658 38.452 39.000 0.184 0.000 0.983 73 F HN -0.155 nan 8.300 nan 0.000 0.485 74 V N -0.676 119.313 119.914 0.126 0.000 2.759 74 V HA -0.220 3.900 4.120 0.001 0.000 0.256 74 V C 2.176 178.262 176.094 -0.013 0.000 1.080 74 V CA 2.173 64.494 62.300 0.036 0.000 1.101 74 V CB -0.521 31.379 31.823 0.129 0.000 0.698 74 V HN 0.453 nan 8.190 nan 0.000 0.477 75 S N 0.522 116.217 115.700 -0.007 0.000 2.507 75 S HA -0.070 4.400 4.470 0.001 0.000 0.235 75 S C 1.382 175.934 174.600 -0.081 0.000 0.988 75 S CA 1.307 59.492 58.200 -0.024 0.000 0.944 75 S CB -0.296 62.907 63.200 0.004 0.000 0.762 75 S HN 0.716 nan 8.310 nan 0.000 0.526 76 N N -0.087 118.539 118.700 -0.122 0.000 2.466 76 N HA 0.140 4.881 4.740 0.001 0.000 0.272 76 N C -1.193 174.226 175.510 -0.150 0.000 1.455 76 N CA -0.382 52.595 53.050 -0.122 0.000 0.875 76 N CB 0.224 38.711 38.487 -0.001 0.000 1.372 76 N HN 0.233 nan 8.380 nan 0.000 0.492 77 Y N 0.518 120.557 120.300 -0.435 0.000 2.323 77 Y HA 0.533 5.083 4.550 0.001 0.000 0.331 77 Y C -1.269 174.407 175.900 -0.374 0.000 1.092 77 Y CA -1.062 56.794 58.100 -0.408 0.000 1.150 77 Y CB 0.403 38.523 38.460 -0.568 0.000 1.200 77 Y HN -0.068 nan 8.280 nan 0.000 0.472 78 F N 7.114 126.639 119.950 -0.708 0.000 2.366 78 F HA 0.168 4.695 4.527 0.001 0.000 0.366 78 F C 0.620 175.822 175.800 -0.996 0.000 1.096 78 F CA -1.205 56.402 58.000 -0.654 0.000 1.060 78 F CB 0.427 39.183 39.000 -0.406 0.000 1.282 78 F HN 0.798 nan 8.300 nan 0.000 0.450 79 W N 1.939 122.768 121.300 -0.785 0.000 2.341 79 W HA -0.181 4.479 4.660 0.001 0.000 0.283 79 W C 0.609 176.987 176.519 -0.235 0.000 1.215 79 W CA 1.431 58.438 57.345 -0.563 0.000 1.211 79 W CB -0.675 28.674 29.460 -0.186 0.000 1.131 79 W HN 0.445 nan 8.180 nan 0.000 0.552 80 E N 1.137 120.742 120.200 -0.990 0.000 2.160 80 E HA -0.189 4.161 4.350 0.001 0.000 0.195 80 E C 1.563 177.986 176.600 -0.296 0.000 0.991 80 E CA 1.939 57.874 56.400 -0.775 0.000 0.810 80 E CB -0.515 28.711 29.700 -0.790 0.000 0.742 80 E HN 0.158 nan 8.360 nan 0.000 0.466 81 D N -0.516 119.744 120.400 -0.233 0.000 2.310 81 D HA -0.065 4.575 4.640 0.001 0.000 0.212 81 D C 1.546 177.869 176.300 0.040 0.000 0.965 81 D CA 1.212 55.163 54.000 -0.082 0.000 0.879 81 D CB -0.173 40.598 40.800 -0.048 0.000 0.921 81 D HN 0.309 nan 8.370 nan 0.000 0.510 82 G N 0.180 109.040 108.800 0.101 0.000 3.277 82 G HA2 0.298 4.259 3.960 0.001 0.000 0.243 82 G HA3 0.298 4.259 3.960 0.001 0.000 0.243 82 G C 0.529 175.536 174.900 0.178 0.000 1.107 82 G CA 0.043 45.273 45.100 0.217 0.000 0.771 82 G HN 0.209 nan 8.290 nan 0.000 0.544 83 V N -3.538 116.429 119.914 0.087 0.000 3.113 83 V HA 0.996 5.116 4.120 0.001 0.000 0.316 83 V C 0.646 176.611 176.094 -0.215 0.000 1.125 83 V CA -0.351 61.967 62.300 0.031 0.000 1.026 83 V CB 1.053 32.976 31.823 0.167 0.000 1.080 83 V HN 1.336 nan 8.190 nan 0.000 0.444 84 G N 1.523 109.964 108.800 -0.598 0.000 2.725 84 G HA2 -0.068 3.892 3.960 0.001 0.000 0.220 84 G HA3 -0.068 3.892 3.960 0.001 0.000 0.220 84 G C -2.915 171.886 174.900 -0.164 0.000 1.357 84 G CA -0.392 44.305 45.100 -0.671 0.000 0.866 84 G HN 0.993 nan 8.290 nan 0.000 0.548 85 P HA 0.197 nan 4.420 nan 0.000 0.260 85 P C 1.201 178.510 177.300 0.015 0.000 1.172 85 P CA 0.394 63.504 63.100 0.016 0.000 0.760 85 P CB 1.123 32.844 31.700 0.035 0.000 0.773 86 V N 3.903 123.839 119.914 0.036 0.000 2.469 86 V HA -0.285 3.836 4.120 0.001 0.000 0.251 86 V C 1.496 177.614 176.094 0.041 0.000 1.064 86 V CA 2.170 64.499 62.300 0.048 0.000 1.066 86 V CB -0.777 31.087 31.823 0.070 0.000 0.667 86 V HN 0.501 nan 8.190 nan 0.000 0.461 87 E N 0.118 120.338 120.200 0.034 0.000 2.204 87 E HA -0.151 4.199 4.350 0.001 0.000 0.194 87 E C 1.554 178.163 176.600 0.016 0.000 0.989 87 E CA 1.417 57.832 56.400 0.026 0.000 0.824 87 E CB -0.289 29.425 29.700 0.024 0.000 0.756 87 E HN 0.632 nan 8.360 nan 0.000 0.477 88 D N 0.185 120.593 120.400 0.012 0.000 2.339 88 D HA 0.035 4.676 4.640 0.001 0.000 0.217 88 D C -0.028 176.268 176.300 -0.006 0.000 1.050 88 D CA 0.098 54.099 54.000 0.002 0.000 0.856 88 D CB 0.143 40.944 40.800 0.003 0.000 0.922 88 D HN 0.058 nan 8.370 nan 0.000 0.518 89 R N 2.191 122.694 120.500 0.005 0.000 2.347 89 R HA 0.235 4.576 4.340 0.001 0.000 0.304 89 R C -2.139 174.167 176.300 0.009 0.000 1.072 89 R CA -1.057 55.050 56.100 0.011 0.000 0.980 89 R CB 0.438 30.763 30.300 0.042 0.000 0.986 89 R HN 0.045 nan 8.270 nan 0.000 0.448 90 P HA 0.200 nan 4.420 nan 0.000 0.281 90 P C -0.863 176.442 177.300 0.009 0.000 1.249 90 P CA -0.636 62.454 63.100 -0.016 0.000 0.810 90 P CB 0.927 32.595 31.700 -0.052 0.000 1.008 91 R N 1.768 122.269 120.500 0.001 0.000 2.340 91 R HA 0.398 4.738 4.340 0.001 0.000 0.300 91 R C 0.436 176.742 176.300 0.009 0.000 1.069 91 R CA -0.346 55.765 56.100 0.018 0.000 0.984 91 R CB 0.559 30.860 30.300 0.002 0.000 1.003 91 R HN 0.351 nan 8.270 nan 0.000 0.459 92 R N 2.535 123.070 120.500 0.057 0.000 2.803 92 R HA 0.381 4.721 4.340 0.001 0.000 0.276 92 R C -0.527 175.825 176.300 0.087 0.000 0.978 92 R CA -1.036 55.093 56.100 0.048 0.000 0.939 92 R CB 1.138 31.491 30.300 0.088 0.000 1.179 92 R HN 0.486 nan 8.270 nan 0.000 0.472 93 L N 1.835 123.071 121.223 0.022 0.000 2.361 93 L HA 0.118 4.459 4.340 0.001 0.000 0.278 93 L C 0.353 177.379 176.870 0.260 0.000 1.113 93 L CA -0.308 54.573 54.840 0.069 0.000 0.849 93 L CB 0.186 42.118 42.059 -0.213 0.000 1.155 93 L HN 0.450 nan 8.230 nan 0.000 0.452 94 D N 3.742 124.407 120.400 0.442 0.000 2.411 94 D HA 0.198 4.838 4.640 0.001 0.000 0.225 94 D C 0.967 177.515 176.300 0.413 0.000 1.156 94 D CA -0.283 53.961 54.000 0.407 0.000 0.874 94 D CB 0.925 42.041 40.800 0.528 0.000 1.034 94 D HN 0.379 nan 8.370 nan 0.000 0.502 95 L N 3.055 124.447 121.223 0.281 0.000 2.217 95 L HA -0.010 4.331 4.340 0.001 0.000 0.211 95 L C 2.324 179.221 176.870 0.045 0.000 1.107 95 L CA 0.779 55.756 54.840 0.229 0.000 0.783 95 L CB -0.585 41.573 42.059 0.165 0.000 0.919 95 L HN 0.449 nan 8.230 nan 0.000 0.442 96 A N 0.088 122.881 122.820 -0.044 0.000 1.883 96 A HA -0.198 4.122 4.320 0.001 0.000 0.217 96 A C 1.420 178.621 177.584 -0.638 0.000 1.186 96 A CA 1.614 53.414 52.037 -0.395 0.000 0.624 96 A CB -0.645 18.075 19.000 -0.465 0.000 0.822 96 A HN 0.632 nan 8.150 nan 0.000 0.444 97 W N -2.086 119.278 121.300 0.107 0.000 2.599 97 W HA 0.508 5.169 4.660 0.001 0.000 0.396 97 W C 0.326 176.796 176.519 -0.081 0.000 0.944 97 W CA -0.640 56.721 57.345 0.027 0.000 2.042 97 W CB 0.491 29.980 29.460 0.050 0.000 1.184 97 W HN 0.045 nan 8.180 nan 0.000 0.604 98 K N 0.998 121.358 120.400 -0.066 0.000 3.156 98 K HA -0.206 4.115 4.320 0.001 0.000 0.266 98 K C -0.601 175.745 176.600 -0.424 0.000 0.966 98 K CA 0.745 56.670 56.287 -0.604 0.000 0.719 98 K CB -1.749 30.348 32.500 -0.672 0.000 1.333 98 K HN 0.095 nan 8.250 nan 0.000 0.468 99 S N -0.305 115.468 115.700 0.122 0.000 2.634 99 S HA 0.634 5.105 4.470 0.001 0.000 0.296 99 S C -0.259 174.647 174.600 0.511 0.000 1.104 99 S CA -1.086 57.291 58.200 0.295 0.000 0.920 99 S CB 1.723 65.064 63.200 0.235 0.000 1.111 99 S HN 0.138 nan 8.310 nan 0.000 0.493 100 I N 2.417 123.207 120.570 0.367 0.000 2.315 100 I HA 0.319 4.489 4.170 0.001 0.000 0.291 100 I C 0.193 176.426 176.117 0.194 0.000 1.006 100 I CA -0.316 61.143 61.300 0.265 0.000 1.265 100 I CB 0.893 38.993 38.000 0.166 0.000 1.387 100 I HN 0.656 nan 8.210 nan 0.000 0.475 101 E N 10.400 130.742 120.200 0.236 0.000 2.089 101 E HA 0.298 4.649 4.350 0.001 0.000 0.284 101 E C -1.906 174.779 176.600 0.142 0.000 1.023 101 E CA -2.041 54.510 56.400 0.252 0.000 0.819 101 E CB 1.168 31.139 29.700 0.452 0.000 1.076 101 E HN 0.255 nan 8.360 nan 0.000 0.396 102 P HA -0.020 nan 4.420 nan 0.000 0.236 102 P C -0.555 176.796 177.300 0.085 0.000 1.177 102 P CA 0.271 63.352 63.100 -0.032 0.000 0.773 102 P CB 0.205 31.770 31.700 -0.225 0.000 0.878 103 N N -0.367 118.467 118.700 0.224 0.000 2.741 103 N HA -0.189 4.551 4.740 0.001 0.000 0.251 103 N C 1.007 176.677 175.510 0.267 0.000 1.112 103 N CA 0.831 54.059 53.050 0.296 0.000 0.750 103 N CB -1.687 36.937 38.487 0.228 0.000 1.119 103 N HN 0.438 nan 8.380 nan 0.000 0.561 104 Q N -0.318 119.659 119.800 0.296 0.000 2.124 104 Q HA -0.005 4.336 4.340 0.001 0.000 0.202 104 Q C 0.547 176.604 176.000 0.096 0.000 0.977 104 Q CA 1.014 56.953 55.803 0.227 0.000 0.850 104 Q CB 0.335 29.267 28.738 0.323 0.000 0.901 104 Q HN 0.188 nan 8.270 nan 0.000 0.429 105 V N 0.078 120.060 119.914 0.114 0.000 2.427 105 V HA 0.629 4.749 4.120 0.001 0.000 0.286 105 V C 0.046 176.298 176.094 0.263 0.000 1.034 105 V CA -0.390 61.888 62.300 -0.037 0.000 0.893 105 V CB 1.484 33.080 31.823 -0.378 0.000 0.982 105 V HN 0.247 nan 8.190 nan 0.000 0.452 106 G N 3.579 112.538 108.800 0.266 0.000 2.552 106 G HA2 0.492 4.452 3.960 0.001 0.000 0.288 106 G HA3 0.492 4.452 3.960 0.001 0.000 0.288 106 G C -0.017 175.103 174.900 0.366 0.000 1.358 106 G CA 0.284 45.610 45.100 0.376 0.000 1.305 106 G HN 1.051 nan 8.290 nan 0.000 0.602 107 I N 1.026 121.862 120.570 0.444 0.000 4.653 107 I HA -0.473 3.697 4.170 0.001 0.000 0.052 107 I C 1.528 177.763 176.117 0.196 0.000 0.622 107 I CA 2.829 64.336 61.300 0.344 0.000 0.752 107 I CB -0.803 37.411 38.000 0.358 0.000 0.697 107 I HN 0.511 nan 8.210 nan 0.000 0.161 108 N N 0.942 119.822 118.700 0.301 0.000 2.104 108 N HA -0.203 4.537 4.740 0.001 0.000 0.190 108 N C 1.514 177.179 175.510 0.258 0.000 1.024 108 N CA 2.414 55.663 53.050 0.331 0.000 0.853 108 N CB -0.439 38.294 38.487 0.409 0.000 1.008 108 N HN 0.655 nan 8.380 nan 0.000 0.424 109 E N -0.153 120.197 120.200 0.249 0.000 2.046 109 E HA -0.007 4.344 4.350 0.001 0.000 0.190 109 E C 1.609 178.369 176.600 0.266 0.000 0.982 109 E CA 0.384 56.954 56.400 0.284 0.000 0.800 109 E CB -0.349 29.461 29.700 0.185 0.000 0.756 109 E HN 0.267 nan 8.360 nan 0.000 0.449 110 F N 0.907 120.823 119.950 -0.058 0.000 2.216 110 F HA -0.130 4.397 4.527 0.001 0.000 0.300 110 F C 2.017 177.704 175.800 -0.189 0.000 1.085 110 F CA 1.136 58.966 58.000 -0.282 0.000 1.326 110 F CB -0.242 38.282 39.000 -0.793 0.000 1.027 110 F HN 0.026 nan 8.300 nan 0.000 0.497 111 A N 0.855 123.637 122.820 -0.063 0.000 1.877 111 A HA -0.237 4.083 4.320 0.001 0.000 0.216 111 A C 2.146 179.683 177.584 -0.078 0.000 1.186 111 A CA 1.985 53.941 52.037 -0.134 0.000 0.620 111 A CB -0.733 18.104 19.000 -0.272 0.000 0.822 111 A HN 0.554 nan 8.150 nan 0.000 0.443 112 K N -2.370 118.053 120.400 0.037 0.000 2.366 112 K HA -0.112 4.208 4.320 0.001 0.000 0.198 112 K C 1.748 178.301 176.600 -0.077 0.000 1.044 112 K CA 0.986 57.314 56.287 0.068 0.000 0.973 112 K CB -0.325 32.309 32.500 0.223 0.000 0.767 112 K HN 0.561 nan 8.250 nan 0.000 0.475 113 W N 1.494 122.467 121.300 -0.545 0.000 2.409 113 W HA -0.085 4.575 4.660 0.001 0.000 0.299 113 W C 1.579 177.676 176.519 -0.703 0.000 1.203 113 W CA 0.824 57.575 57.345 -0.990 0.000 1.298 113 W CB -0.304 28.285 29.460 -1.451 0.000 1.127 113 W HN 0.104 nan 8.180 nan 0.000 0.528 114 C N 0.995 119.934 119.300 -0.600 0.000 2.440 114 C HA -0.135 4.325 4.460 0.001 0.000 0.278 114 C C 2.713 177.450 174.990 -0.422 0.000 1.295 114 C CA 0.936 59.607 59.018 -0.579 0.000 1.738 114 C CB -1.004 26.487 27.740 -0.415 0.000 1.987 114 C HN 0.223 nan 8.230 nan 0.000 0.492 115 K N 1.228 121.452 120.400 -0.292 0.000 2.063 115 K HA -0.139 4.182 4.320 0.001 0.000 0.208 115 K C 1.910 178.366 176.600 -0.240 0.000 1.048 115 K CA 1.392 57.564 56.287 -0.191 0.000 0.928 115 K CB -0.328 32.119 32.500 -0.088 0.000 0.713 115 K HN 0.566 nan 8.250 nan 0.000 0.442 116 K N 0.780 120.980 120.400 -0.332 0.000 2.288 116 K HA -0.055 4.265 4.320 0.001 0.000 0.201 116 K C 1.720 178.062 176.600 -0.430 0.000 1.048 116 K CA 0.985 57.074 56.287 -0.330 0.000 0.956 116 K CB 0.136 32.449 32.500 -0.312 0.000 0.746 116 K HN 0.076 nan 8.250 nan 0.000 0.461 117 V N -1.828 117.714 119.914 -0.620 0.000 3.542 117 V HA 0.155 4.275 4.120 0.001 0.000 0.296 117 V C -0.348 175.523 176.094 -0.372 0.000 1.364 117 V CA -0.495 61.455 62.300 -0.583 0.000 1.118 117 V CB -0.654 30.610 31.823 -0.932 0.000 0.972 117 V HN 0.266 nan 8.190 nan 0.000 0.430 118 N N 0.867 119.392 118.700 -0.291 0.000 2.740 118 N HA -0.160 4.580 4.740 0.001 0.000 0.248 118 N C 0.080 175.492 175.510 -0.163 0.000 1.062 118 N CA 1.231 54.170 53.050 -0.184 0.000 0.704 118 N CB -1.322 37.085 38.487 -0.133 0.000 0.968 118 N HN 1.087 nan 8.380 nan 0.000 0.547 119 A N -0.369 122.328 122.820 -0.205 0.000 2.380 119 A HA 0.658 4.978 4.320 0.001 0.000 0.315 119 A C 0.145 177.661 177.584 -0.112 0.000 1.101 119 A CA -0.657 51.290 52.037 -0.149 0.000 0.771 119 A CB 1.866 20.754 19.000 -0.187 0.000 1.287 119 A HN 0.076 nan 8.150 nan 0.000 0.436 120 E N 0.735 120.904 120.200 -0.053 0.000 2.283 120 E HA 0.385 4.736 4.350 0.001 0.000 0.271 120 E C -0.668 175.926 176.600 -0.009 0.000 1.031 120 E CA -0.279 56.105 56.400 -0.027 0.000 0.868 120 E CB 1.566 31.265 29.700 -0.001 0.000 1.094 120 E HN 0.552 nan 8.360 nan 0.000 0.401 121 I N 2.020 122.584 120.570 -0.010 0.000 2.428 121 I HA 0.162 4.332 4.170 0.001 0.000 0.289 121 I C 0.458 176.547 176.117 -0.047 0.000 1.019 121 I CA -0.237 61.075 61.300 0.020 0.000 1.351 121 I CB 0.717 38.721 38.000 0.006 0.000 1.412 121 I HN 0.253 nan 8.210 nan 0.000 0.513 122 M N 7.839 127.435 119.600 -0.007 0.000 2.055 122 M HA 0.363 4.843 4.480 0.001 0.000 0.346 122 M C -0.833 175.403 176.300 -0.107 0.000 1.074 122 M CA -0.750 54.502 55.300 -0.079 0.000 1.009 122 M CB 0.855 33.448 32.600 -0.013 0.000 1.423 122 M HN 0.519 nan 8.290 nan 0.000 0.410 123 M N 4.922 124.304 119.600 -0.362 0.000 2.146 123 M HA 0.568 5.048 4.480 0.001 0.000 0.357 123 M C -0.776 175.468 176.300 -0.093 0.000 1.261 123 M CA 0.093 55.186 55.300 -0.345 0.000 1.106 123 M CB 1.050 33.101 32.600 -0.916 0.000 1.612 123 M HN 0.685 nan 8.290 nan 0.000 0.470 124 A N 5.147 127.984 122.820 0.028 0.000 2.301 124 A HA 0.688 5.008 4.320 0.001 0.000 0.312 124 A C -0.673 177.019 177.584 0.179 0.000 1.182 124 A CA -0.683 51.426 52.037 0.121 0.000 0.826 124 A CB 0.404 19.455 19.000 0.086 0.000 1.134 124 A HN 1.011 nan 8.150 nan 0.000 0.501 125 V N 0.818 120.868 119.914 0.226 0.000 2.713 125 V HA 0.500 4.621 4.120 0.001 0.000 0.307 125 V C 0.218 176.394 176.094 0.137 0.000 1.052 125 V CA -1.225 61.196 62.300 0.200 0.000 0.967 125 V CB 1.566 33.507 31.823 0.196 0.000 1.019 125 V HN 0.819 nan 8.190 nan 0.000 0.459 126 N N 2.877 121.633 118.700 0.092 0.000 2.406 126 N HA 0.230 4.970 4.740 0.001 0.000 0.265 126 N C -0.066 175.449 175.510 0.009 0.000 1.203 126 N CA 0.051 53.108 53.050 0.012 0.000 0.945 126 N CB 0.295 38.711 38.487 -0.119 0.000 1.165 126 N HN 0.852 nan 8.380 nan 0.000 0.485 127 L N 2.451 123.702 121.223 0.046 0.000 3.014 127 L HA 0.323 4.663 4.340 0.001 0.000 0.263 127 L C 1.687 178.585 176.870 0.048 0.000 1.207 127 L CA -0.269 54.610 54.840 0.064 0.000 1.017 127 L CB 0.519 42.670 42.059 0.154 0.000 1.360 127 L HN 0.565 nan 8.230 nan 0.000 0.560 128 G N 0.387 109.189 108.800 0.004 0.000 2.508 128 G HA2 -0.139 3.821 3.960 0.001 0.000 0.212 128 G HA3 -0.139 3.821 3.960 0.001 0.000 0.212 128 G C 1.397 176.285 174.900 -0.020 0.000 1.206 128 G CA 1.235 46.331 45.100 -0.006 0.000 0.822 128 G HN 0.329 nan 8.290 nan 0.000 0.550 129 T N -1.841 112.675 114.554 -0.064 0.000 3.054 129 T HA 0.443 4.793 4.350 0.001 0.000 0.255 129 T C 0.970 175.623 174.700 -0.077 0.000 1.035 129 T CA -0.338 61.730 62.100 -0.052 0.000 0.941 129 T CB 0.424 69.275 68.868 -0.028 0.000 1.026 129 T HN 0.153 nan 8.240 nan 0.000 0.533 130 R N -0.495 119.936 120.500 -0.115 0.000 2.930 130 R HA 0.776 5.116 4.340 0.001 0.000 0.257 130 R C 0.151 176.428 176.300 -0.039 0.000 1.107 130 R CA -0.920 55.125 56.100 -0.092 0.000 0.999 130 R CB 1.771 31.968 30.300 -0.172 0.000 1.209 130 R HN 0.235 nan 8.270 nan 0.000 0.486 131 G N -0.312 108.473 108.800 -0.024 0.000 3.195 131 G HA2 0.299 4.259 3.960 0.001 0.000 0.217 131 G HA3 0.299 4.259 3.960 0.001 0.000 0.217 131 G C 0.717 175.601 174.900 -0.027 0.000 1.166 131 G CA -0.635 44.452 45.100 -0.022 0.000 0.812 131 G HN 0.440 nan 8.290 nan 0.000 0.617 132 I N 1.214 121.759 120.570 -0.042 0.000 2.099 132 I HA -0.186 3.985 4.170 0.001 0.000 0.239 132 I C 3.136 179.219 176.117 -0.056 0.000 1.066 132 I CA 2.223 63.487 61.300 -0.060 0.000 1.324 132 I CB -0.381 37.576 38.000 -0.073 0.000 1.037 132 I HN 0.461 nan 8.210 nan 0.000 0.401 133 S N 0.255 115.933 115.700 -0.037 0.000 2.399 133 S HA -0.186 4.284 4.470 0.001 0.000 0.231 133 S C 1.592 176.176 174.600 -0.028 0.000 1.022 133 S CA 1.346 59.528 58.200 -0.030 0.000 0.983 133 S CB -0.541 62.658 63.200 -0.002 0.000 0.803 133 S HN 0.413 nan 8.310 nan 0.000 0.480 134 D N 2.264 122.669 120.400 0.008 0.000 2.149 134 D HA 0.077 4.717 4.640 0.001 0.000 0.201 134 D C 2.277 178.598 176.300 0.034 0.000 0.972 134 D CA 1.281 55.330 54.000 0.081 0.000 0.835 134 D CB -0.464 40.398 40.800 0.103 0.000 0.966 134 D HN 0.592 nan 8.370 nan 0.000 0.476 135 A N 0.693 123.491 122.820 -0.037 0.000 1.930 135 A HA -0.148 4.173 4.320 0.001 0.000 0.217 135 A C 2.536 179.993 177.584 -0.212 0.000 1.175 135 A CA 0.935 52.909 52.037 -0.104 0.000 0.627 135 A CB -0.851 18.100 19.000 -0.081 0.000 0.815 135 A HN 0.298 nan 8.150 nan 0.000 0.443 136 C N -0.179 119.016 119.300 -0.176 0.000 2.429 136 C HA -0.090 4.371 4.460 0.001 0.000 0.277 136 C C 2.672 177.522 174.990 -0.234 0.000 1.262 136 C CA 1.133 60.034 59.018 -0.195 0.000 1.733 136 C CB -1.421 26.240 27.740 -0.131 0.000 2.010 136 C HN 0.650 nan 8.230 nan 0.000 0.483 137 N N 1.103 119.638 118.700 -0.274 0.000 2.069 137 N HA -0.111 4.629 4.740 0.001 0.000 0.191 137 N C 1.470 176.700 175.510 -0.468 0.000 1.031 137 N CA 1.027 53.763 53.050 -0.522 0.000 0.852 137 N CB -0.723 37.400 38.487 -0.606 0.000 1.018 137 N HN 0.360 nan 8.380 nan 0.000 0.423 138 L N 0.665 121.531 121.223 -0.596 0.000 2.093 138 L HA 0.021 4.361 4.340 0.001 0.000 0.208 138 L C 1.973 178.680 176.870 -0.272 0.000 1.085 138 L CA 1.107 55.412 54.840 -0.891 0.000 0.755 138 L CB -0.815 40.671 42.059 -0.955 0.000 0.904 138 L HN 0.110 nan 8.230 nan 0.000 0.435 139 L N -0.273 120.746 121.223 -0.339 0.000 2.046 139 L HA -0.193 4.147 4.340 0.001 0.000 0.208 139 L C 2.473 179.306 176.870 -0.061 0.000 1.077 139 L CA 2.053 56.665 54.840 -0.380 0.000 0.747 139 L CB -0.826 40.834 42.059 -0.666 0.000 0.896 139 L HN 0.522 nan 8.230 nan 0.000 0.432 140 E N -1.575 118.594 120.200 -0.051 0.000 2.051 140 E HA -0.322 4.028 4.350 0.001 0.000 0.192 140 E C 2.253 178.967 176.600 0.190 0.000 0.991 140 E CA 1.577 58.023 56.400 0.076 0.000 0.799 140 E CB -0.451 29.279 29.700 0.050 0.000 0.748 140 E HN 0.618 nan 8.360 nan 0.000 0.449 141 Y N 0.625 120.965 120.300 0.066 0.000 2.114 141 Y HA -0.318 4.232 4.550 0.001 0.000 0.282 141 Y C 2.317 178.322 175.900 0.175 0.000 1.165 141 Y CA 2.040 60.228 58.100 0.147 0.000 1.148 141 Y CB -0.402 38.078 38.460 0.033 0.000 0.972 141 Y HN 0.213 nan 8.280 nan 0.000 0.504 142 C N -0.281 119.276 119.300 0.428 0.000 2.492 142 C HA 0.004 4.465 4.460 0.001 0.000 0.279 142 C C 2.089 177.264 174.990 0.309 0.000 1.335 142 C CA 1.157 60.464 59.018 0.482 0.000 1.734 142 C CB -0.945 27.172 27.740 0.628 0.000 2.027 142 C HN 0.589 nan 8.230 nan 0.000 0.496 143 N N -1.558 117.301 118.700 0.264 0.000 2.407 143 N HA 0.042 4.783 4.740 0.001 0.000 0.182 143 N C 0.482 176.067 175.510 0.125 0.000 1.079 143 N CA 0.189 53.359 53.050 0.200 0.000 0.882 143 N CB -0.302 38.314 38.487 0.216 0.000 1.106 143 N HN 0.529 nan 8.380 nan 0.000 0.461 144 H N 1.683 120.784 119.070 0.053 0.000 2.722 144 H HA 0.090 4.647 4.556 0.001 0.000 0.328 144 H C -1.551 173.781 175.328 0.006 0.000 1.067 144 H CA -1.209 54.856 56.048 0.028 0.000 1.447 144 H CB 1.652 31.433 29.762 0.032 0.000 1.469 144 H HN -0.018 nan 8.280 nan 0.000 0.544 145 P HA -0.029 nan 4.420 nan 0.000 0.214 145 P C 0.114 177.413 177.300 -0.002 0.000 1.163 145 P CA 1.400 64.433 63.100 -0.112 0.000 0.883 145 P CB 0.392 31.987 31.700 -0.175 0.000 0.788 146 G N -5.113 103.753 108.800 0.110 0.000 2.313 146 G HA2 0.411 4.372 3.960 0.001 0.000 0.296 146 G HA3 0.411 4.372 3.960 0.001 0.000 0.296 146 G C -0.107 174.894 174.900 0.170 0.000 1.356 146 G CA 0.248 45.420 45.100 0.121 0.000 0.833 146 G HN 0.354 nan 8.290 nan 0.000 0.552 147 G N -1.572 107.280 108.800 0.087 0.000 2.132 147 G HA2 0.277 4.238 3.960 0.001 0.000 0.234 147 G HA3 0.277 4.238 3.960 0.001 0.000 0.234 147 G C 0.478 175.400 174.900 0.037 0.000 0.989 147 G CA 1.326 46.464 45.100 0.064 0.000 0.676 147 G HN 2.445 nan 8.290 nan 0.000 0.522 148 S N -1.912 113.796 115.700 0.013 0.000 2.651 148 S HA 0.727 5.198 4.470 0.001 0.000 0.279 148 S C 0.924 175.508 174.600 -0.027 0.000 1.148 148 S CA 0.238 58.417 58.200 -0.035 0.000 0.837 148 S CB 1.964 65.084 63.200 -0.133 0.000 1.138 148 S HN 0.366 nan 8.310 nan 0.000 0.478 149 K N -0.116 120.258 120.400 -0.043 0.000 2.015 149 K HA -0.203 4.118 4.320 0.001 0.000 0.216 149 K C 1.257 177.750 176.600 -0.178 0.000 1.052 149 K CA 2.221 58.419 56.287 -0.148 0.000 0.937 149 K CB -0.491 31.863 32.500 -0.243 0.000 0.719 149 K HN 0.734 nan 8.250 nan 0.000 0.446 150 Y N 0.267 120.620 120.300 0.090 0.000 2.448 150 Y HA -0.046 4.504 4.550 0.001 0.000 0.289 150 Y C 2.688 178.628 175.900 0.067 0.000 1.114 150 Y CA 0.954 59.173 58.100 0.198 0.000 1.235 150 Y CB 0.124 38.768 38.460 0.306 0.000 1.045 150 Y HN 0.266 nan 8.280 nan 0.000 0.554 151 S N -0.579 115.198 115.700 0.127 0.000 2.371 151 S HA -0.152 4.319 4.470 0.001 0.000 0.224 151 S C 1.470 176.029 174.600 -0.069 0.000 1.029 151 S CA 1.383 59.598 58.200 0.024 0.000 0.978 151 S CB -0.402 62.884 63.200 0.142 0.000 0.833 151 S HN 0.274 nan 8.310 nan 0.000 0.466 152 D N 1.209 121.583 120.400 -0.045 0.000 2.178 152 D HA 0.014 4.654 4.640 0.001 0.000 0.201 152 D C 1.791 178.006 176.300 -0.142 0.000 0.980 152 D CA 0.841 54.797 54.000 -0.075 0.000 0.842 152 D CB -0.363 40.405 40.800 -0.053 0.000 0.948 152 D HN 0.406 nan 8.370 nan 0.000 0.472 153 M N -0.011 119.493 119.600 -0.160 0.000 2.117 153 M HA -0.149 4.331 4.480 0.001 0.000 0.262 153 M C 2.206 178.196 176.300 -0.516 0.000 1.065 153 M CA 1.238 56.376 55.300 -0.269 0.000 1.114 153 M CB 0.187 32.794 32.600 0.011 0.000 1.361 153 M HN -0.142 nan 8.290 nan 0.000 0.408 154 R N 0.501 120.672 120.500 -0.548 0.000 2.081 154 R HA -0.138 4.203 4.340 0.001 0.000 0.235 154 R C 1.896 178.068 176.300 -0.213 0.000 1.131 154 R CA 1.677 57.423 56.100 -0.590 0.000 0.960 154 R CB -0.453 29.322 30.300 -0.876 0.000 0.856 154 R HN 0.421 nan 8.270 nan 0.000 0.436 155 I N 0.951 121.411 120.570 -0.184 0.000 2.226 155 I HA -0.294 3.876 4.170 0.001 0.000 0.245 155 I C 2.592 178.683 176.117 -0.044 0.000 1.100 155 I CA 1.446 62.695 61.300 -0.085 0.000 1.374 155 I CB -0.264 37.695 38.000 -0.068 0.000 1.057 155 I HN 0.198 nan 8.210 nan 0.000 0.413 156 K N 0.453 120.798 120.400 -0.091 0.000 2.147 156 K HA -0.181 4.140 4.320 0.001 0.000 0.205 156 K C 1.840 178.497 176.600 0.095 0.000 1.049 156 K CA 1.458 57.725 56.287 -0.034 0.000 0.936 156 K CB -0.141 32.306 32.500 -0.088 0.000 0.722 156 K HN 0.492 nan 8.250 nan 0.000 0.446 157 H N -1.957 117.177 119.070 0.107 0.000 2.556 157 H HA 0.084 4.641 4.556 0.001 0.000 0.268 157 H C 0.855 176.267 175.328 0.139 0.000 0.996 157 H CA 0.133 56.276 56.048 0.159 0.000 1.157 157 H CB 0.575 30.502 29.762 0.274 0.000 1.355 157 H HN 0.547 nan 8.280 nan 0.000 0.597 158 G N 0.409 109.326 108.800 0.195 0.000 2.184 158 G HA2 -0.236 3.724 3.960 0.001 0.000 0.206 158 G HA3 -0.236 3.724 3.960 0.001 0.000 0.206 158 G C -0.105 174.865 174.900 0.116 0.000 0.995 158 G CA 0.014 45.199 45.100 0.142 0.000 0.651 158 G HN 0.171 nan 8.290 nan 0.000 0.511 159 V N 2.333 122.306 119.914 0.098 0.000 2.293 159 V HA 0.418 4.539 4.120 0.001 0.000 0.275 159 V C 1.393 177.464 176.094 -0.037 0.000 1.021 159 V CA -0.344 61.979 62.300 0.039 0.000 0.815 159 V CB 1.350 33.197 31.823 0.039 0.000 1.025 159 V HN 0.199 nan 8.190 nan 0.000 0.448 160 K N 2.137 122.525 120.400 -0.020 0.000 2.001 160 K HA 0.013 4.333 4.320 0.001 0.000 0.208 160 K C 0.772 177.339 176.600 -0.056 0.000 1.048 160 K CA 1.044 57.313 56.287 -0.031 0.000 0.932 160 K CB 0.394 32.889 32.500 -0.008 0.000 0.715 160 K HN 0.567 nan 8.250 nan 0.000 0.437 161 E N 2.113 122.280 120.200 -0.055 0.000 2.313 161 E HA 0.171 4.522 4.350 0.001 0.000 0.276 161 E C -2.248 174.275 176.600 -0.128 0.000 1.031 161 E CA -2.417 53.946 56.400 -0.062 0.000 0.857 161 E CB 0.785 30.469 29.700 -0.027 0.000 1.040 161 E HN 0.224 nan 8.360 nan 0.000 0.408 162 P HA 0.024 nan 4.420 nan 0.000 0.269 162 P C 0.541 177.797 177.300 -0.072 0.000 1.209 162 P CA -0.026 63.005 63.100 -0.114 0.000 0.776 162 P CB 0.673 32.362 31.700 -0.018 0.000 0.876 163 H N 1.004 120.144 119.070 0.116 0.000 2.457 163 H HA -0.068 4.488 4.556 0.001 0.000 0.294 163 H C 0.352 175.745 175.328 0.108 0.000 1.064 163 H CA 0.787 56.904 56.048 0.115 0.000 1.330 163 H CB -0.477 29.373 29.762 0.147 0.000 1.395 163 H HN 0.464 nan 8.280 nan 0.000 0.541 164 N N 0.377 119.218 118.700 0.234 0.000 2.696 164 N HA -0.179 4.562 4.740 0.001 0.000 0.256 164 N C -0.721 174.917 175.510 0.213 0.000 1.031 164 N CA 0.340 53.510 53.050 0.201 0.000 0.730 164 N CB -1.819 36.745 38.487 0.127 0.000 0.894 164 N HN 0.359 nan 8.380 nan 0.000 0.544 165 I N 0.692 121.425 120.570 0.271 0.000 2.517 165 I HA -0.071 4.099 4.170 0.001 0.000 0.285 165 I C 1.618 177.912 176.117 0.294 0.000 1.106 165 I CA 0.238 61.621 61.300 0.138 0.000 1.402 165 I CB 0.658 38.544 38.000 -0.190 0.000 1.399 165 I HN 0.112 nan 8.210 nan 0.000 0.535 166 K N 4.228 124.730 120.400 0.170 0.000 2.166 166 K HA 0.150 4.470 4.320 0.001 0.000 0.201 166 K C -0.116 176.661 176.600 0.295 0.000 1.052 166 K CA 0.662 57.089 56.287 0.233 0.000 0.969 166 K CB 0.372 32.962 32.500 0.150 0.000 0.761 166 K HN 0.378 nan 8.250 nan 0.000 0.459 167 V N 1.171 121.182 119.914 0.161 0.000 2.448 167 V HA 0.299 4.419 4.120 0.001 0.000 0.295 167 V C -1.327 174.813 176.094 0.077 0.000 1.025 167 V CA -0.848 61.573 62.300 0.201 0.000 0.859 167 V CB 0.956 32.844 31.823 0.108 0.000 0.988 167 V HN 0.157 nan 8.190 nan 0.000 0.431 168 W N 2.572 123.947 121.300 0.125 0.000 2.736 168 W HA 0.623 5.283 4.660 0.001 0.000 0.335 168 W C -0.532 176.057 176.519 0.118 0.000 1.059 168 W CA -0.562 56.848 57.345 0.108 0.000 1.226 168 W CB 1.692 31.205 29.460 0.089 0.000 1.416 168 W HN 0.443 nan 8.180 nan 0.000 0.505 169 C N 3.666 123.144 119.300 0.296 0.000 2.285 169 C HA 0.405 4.865 4.460 0.001 0.000 0.335 169 C C 0.691 175.837 174.990 0.260 0.000 1.267 169 C CA -0.795 58.365 59.018 0.236 0.000 1.762 169 C CB -0.671 27.157 27.740 0.147 0.000 2.365 169 C HN 0.461 nan 8.230 nan 0.000 0.527 170 L N 5.047 126.430 121.223 0.266 0.000 2.382 170 L HA 0.399 4.740 4.340 0.001 0.000 0.259 170 L C 1.211 178.274 176.870 0.323 0.000 1.291 170 L CA 0.697 55.697 54.840 0.266 0.000 1.176 170 L CB -1.308 40.888 42.059 0.229 0.000 1.373 170 L HN 1.140 nan 8.230 nan 0.000 0.426 171 G N 1.954 110.894 108.800 0.233 0.000 2.741 171 G HA2 -0.284 3.676 3.960 0.001 0.000 0.222 171 G HA3 -0.284 3.676 3.960 0.001 0.000 0.222 171 G C -0.803 174.177 174.900 0.134 0.000 1.364 171 G CA -0.470 44.738 45.100 0.179 0.000 0.866 171 G HN 0.590 nan 8.290 nan 0.000 0.555 172 N N -0.498 118.253 118.700 0.084 0.000 2.362 172 N HA 0.712 5.452 4.740 0.001 0.000 0.299 172 N C 0.511 176.018 175.510 -0.006 0.000 1.170 172 N CA 0.557 53.660 53.050 0.088 0.000 0.825 172 N CB 1.518 40.088 38.487 0.138 0.000 1.299 172 N HN 1.702 nan 8.380 nan 0.000 0.502 173 A N 1.926 124.747 122.820 0.002 0.000 2.583 173 A HA -0.003 4.317 4.320 0.001 0.000 0.249 173 A C 0.486 177.950 177.584 -0.200 0.000 1.035 173 A CA 0.867 52.798 52.037 -0.175 0.000 0.777 173 A CB -0.529 18.373 19.000 -0.164 0.000 0.942 173 A HN 0.827 nan 8.150 nan 0.000 0.516 174 M N 1.878 121.284 119.600 -0.324 0.000 2.596 174 M HA 0.073 4.553 4.480 0.001 0.000 0.364 174 M C 0.455 176.598 176.300 -0.262 0.000 1.158 174 M CA 0.026 55.190 55.300 -0.227 0.000 0.940 174 M CB 0.488 33.017 32.600 -0.119 0.000 1.388 174 M HN 0.887 nan 8.290 nan 0.000 0.522 175 D N -0.705 119.360 120.400 -0.559 0.000 2.349 175 D HA 0.044 4.684 4.640 0.001 0.000 0.215 175 D C 0.833 176.947 176.300 -0.310 0.000 1.016 175 D CA 0.206 53.929 54.000 -0.461 0.000 0.870 175 D CB -0.133 40.114 40.800 -0.921 0.000 0.917 175 D HN 0.210 nan 8.370 nan 0.000 0.524 176 G N 1.593 109.975 108.800 -0.697 0.000 2.390 176 G HA2 0.355 4.315 3.960 0.001 0.000 0.270 176 G HA3 0.355 4.315 3.960 0.001 0.000 0.270 176 G C -1.590 172.600 174.900 -1.184 0.000 1.211 176 G CA -1.194 42.971 45.100 -1.558 0.000 0.842 176 G HN -0.081 nan 8.290 nan 0.000 0.519 177 P HA -0.023 nan 4.420 nan 0.000 0.242 177 P C 0.676 177.815 177.300 -0.268 0.000 1.197 177 P CA 0.469 63.252 63.100 -0.528 0.000 0.765 177 P CB 0.020 31.556 31.700 -0.274 0.000 0.936 178 W N -1.141 120.094 121.300 -0.108 0.000 3.211 178 W HA 0.375 5.036 4.660 0.001 0.000 0.292 178 W C 0.549 177.010 176.519 -0.096 0.000 1.268 178 W CA -0.423 56.863 57.345 -0.098 0.000 1.702 178 W CB -0.726 28.674 29.460 -0.100 0.000 1.092 178 W HN -0.178 nan 8.180 nan 0.000 0.643 179 Q N 1.811 121.404 119.800 -0.346 0.000 2.271 179 Q HA 0.320 4.661 4.340 0.001 0.000 0.258 179 Q C -0.240 175.713 176.000 -0.079 0.000 0.936 179 Q CA -0.746 54.963 55.803 -0.156 0.000 0.909 179 Q CB 2.790 31.396 28.738 -0.220 0.000 1.253 179 Q HN 0.003 nan 8.270 nan 0.000 0.440 180 V N 3.669 123.569 119.914 -0.025 0.000 2.585 180 V HA 0.315 4.435 4.120 0.001 0.000 0.296 180 V C 0.784 176.881 176.094 0.004 0.000 1.035 180 V CA 1.741 64.041 62.300 0.001 0.000 1.084 180 V CB 0.316 32.148 31.823 0.014 0.000 0.953 180 V HN 1.069 nan 8.190 nan 0.000 0.483 181 G N 4.054 112.868 108.800 0.022 0.000 2.182 181 G HA2 -0.248 3.712 3.960 0.001 0.000 0.248 181 G HA3 -0.248 3.712 3.960 0.001 0.000 0.248 181 G C 0.264 175.179 174.900 0.024 0.000 1.042 181 G CA 0.451 45.563 45.100 0.020 0.000 0.775 181 G HN 1.656 nan 8.290 nan 0.000 0.501 182 H N 0.919 119.952 119.070 -0.061 0.000 3.034 182 H HA 0.340 4.896 4.556 0.001 0.000 0.324 182 H C -0.111 175.218 175.328 0.000 0.000 1.015 182 H CA 0.568 56.569 56.048 -0.079 0.000 1.429 182 H CB 0.541 30.221 29.762 -0.136 0.000 1.429 182 H HN 0.198 nan 8.280 nan 0.000 0.585 183 K N 3.775 123.860 120.400 -0.525 0.000 2.267 183 K HA 0.193 4.514 4.320 0.001 0.000 0.246 183 K C 0.167 176.566 176.600 -0.335 0.000 0.954 183 K CA -0.832 55.268 56.287 -0.311 0.000 0.824 183 K CB 1.963 34.469 32.500 0.010 0.000 1.167 183 K HN 0.773 nan 8.250 nan 0.000 0.431 184 T N -1.831 112.631 114.554 -0.154 0.000 2.849 184 T HA 0.143 4.494 4.350 0.001 0.000 0.284 184 T C 1.799 176.460 174.700 -0.065 0.000 1.004 184 T CA -0.621 61.483 62.100 0.006 0.000 1.021 184 T CB 0.418 69.290 68.868 0.007 0.000 1.013 184 T HN 0.698 nan 8.240 nan 0.000 0.527 185 M N 0.134 119.671 119.600 -0.104 0.000 2.149 185 M HA -0.100 4.380 4.480 0.001 0.000 0.261 185 M C 1.101 177.200 176.300 -0.335 0.000 1.064 185 M CA 1.816 56.781 55.300 -0.559 0.000 1.102 185 M CB -0.761 31.684 32.600 -0.259 0.000 1.369 185 M HN 0.507 nan 8.290 nan 0.000 0.408 186 D N 1.019 121.340 120.400 -0.132 0.000 2.149 186 D HA -0.086 4.554 4.640 0.001 0.000 0.201 186 D C 1.919 178.045 176.300 -0.289 0.000 0.972 186 D CA 1.324 55.262 54.000 -0.103 0.000 0.835 186 D CB -0.159 40.650 40.800 0.015 0.000 0.966 186 D HN 0.605 nan 8.370 nan 0.000 0.476 187 E N -0.060 120.025 120.200 -0.192 0.000 2.051 187 E HA -0.199 4.151 4.350 0.001 0.000 0.192 187 E C 2.012 178.499 176.600 -0.188 0.000 0.991 187 E CA 0.792 57.088 56.400 -0.173 0.000 0.799 187 E CB -0.149 29.494 29.700 -0.095 0.000 0.748 187 E HN 0.280 nan 8.360 nan 0.000 0.449 188 Y N 0.989 121.116 120.300 -0.289 0.000 2.200 188 Y HA -0.095 4.455 4.550 0.001 0.000 0.290 188 Y C 2.200 177.920 175.900 -0.300 0.000 1.137 188 Y CA 1.656 59.605 58.100 -0.252 0.000 1.163 188 Y CB -0.744 37.583 38.460 -0.222 0.000 0.988 188 Y HN 0.001 nan 8.280 nan 0.000 0.518 189 G N 0.885 109.367 108.800 -0.531 0.000 2.476 189 G HA2 -0.291 3.670 3.960 0.001 0.000 0.218 189 G HA3 -0.291 3.670 3.960 0.001 0.000 0.218 189 G C 1.841 176.326 174.900 -0.690 0.000 1.164 189 G CA 1.024 45.803 45.100 -0.536 0.000 0.768 189 G HN 0.253 nan 8.290 nan 0.000 0.560 190 R N -0.286 119.710 120.500 -0.839 0.000 2.066 190 R HA 0.050 4.391 4.340 0.001 0.000 0.232 190 R C 2.518 178.584 176.300 -0.390 0.000 1.131 190 R CA 0.879 56.598 56.100 -0.635 0.000 0.955 190 R CB -0.964 29.009 30.300 -0.545 0.000 0.851 190 R HN 0.466 nan 8.270 nan 0.000 0.432 191 I N 1.051 121.409 120.570 -0.353 0.000 2.315 191 I HA -0.150 4.020 4.170 0.001 0.000 0.248 191 I C 2.106 178.051 176.117 -0.285 0.000 1.117 191 I CA 1.153 62.303 61.300 -0.250 0.000 1.404 191 I CB -0.265 37.649 38.000 -0.144 0.000 1.071 191 I HN 0.107 nan 8.210 nan 0.000 0.419 192 A N -0.284 122.246 122.820 -0.483 0.000 1.898 192 A HA -0.258 4.063 4.320 0.001 0.000 0.216 192 A C 2.368 179.803 177.584 -0.248 0.000 1.181 192 A CA 1.849 53.619 52.037 -0.445 0.000 0.620 192 A CB -0.830 17.685 19.000 -0.808 0.000 0.819 192 A HN 0.572 nan 8.150 nan 0.000 0.442 193 E N -0.441 119.617 120.200 -0.237 0.000 2.058 193 E HA -0.238 4.112 4.350 0.001 0.000 0.194 193 E C 1.805 178.270 176.600 -0.225 0.000 0.997 193 E CA 1.468 57.784 56.400 -0.140 0.000 0.801 193 E CB -0.079 29.574 29.700 -0.077 0.000 0.746 193 E HN 0.533 nan 8.360 nan 0.000 0.450 194 E N -0.113 119.954 120.200 -0.222 0.000 2.107 194 E HA -0.089 4.262 4.350 0.001 0.000 0.191 194 E C 2.196 178.679 176.600 -0.195 0.000 0.982 194 E CA 1.250 57.519 56.400 -0.218 0.000 0.809 194 E CB -0.482 29.113 29.700 -0.175 0.000 0.756 194 E HN 0.280 nan 8.360 nan 0.000 0.459 195 T N 1.511 115.967 114.554 -0.162 0.000 2.708 195 T HA -0.113 4.238 4.350 0.001 0.000 0.266 195 T C 1.976 176.596 174.700 -0.132 0.000 1.037 195 T CA 1.590 63.613 62.100 -0.129 0.000 1.146 195 T CB -0.237 68.577 68.868 -0.090 0.000 0.865 195 T HN 0.269 nan 8.240 nan 0.000 0.435 196 A N 1.696 124.444 122.820 -0.121 0.000 1.902 196 A HA -0.121 4.199 4.320 0.001 0.000 0.217 196 A C 2.318 179.825 177.584 -0.129 0.000 1.181 196 A CA 1.712 53.704 52.037 -0.076 0.000 0.623 196 A CB -0.616 18.387 19.000 0.006 0.000 0.818 196 A HN 0.388 nan 8.150 nan 0.000 0.443 197 R N -0.460 119.853 120.500 -0.312 0.000 2.083 197 R HA -0.138 4.202 4.340 0.001 0.000 0.237 197 R C 2.296 178.461 176.300 -0.226 0.000 1.137 197 R CA 1.540 57.361 56.100 -0.465 0.000 0.951 197 R CB -0.377 29.504 30.300 -0.698 0.000 0.851 197 R HN 0.463 nan 8.270 nan 0.000 0.434 198 A N 0.535 123.241 122.820 -0.189 0.000 1.929 198 A HA -0.112 4.209 4.320 0.001 0.000 0.216 198 A C 2.193 179.702 177.584 -0.125 0.000 1.176 198 A CA 1.186 53.141 52.037 -0.137 0.000 0.628 198 A CB -0.328 18.595 19.000 -0.128 0.000 0.816 198 A HN 0.317 nan 8.150 nan 0.000 0.444 199 M N -0.639 118.873 119.600 -0.146 0.000 2.117 199 M HA -0.128 4.352 4.480 0.001 0.000 0.262 199 M C 1.892 178.112 176.300 -0.133 0.000 1.065 199 M CA 1.495 56.685 55.300 -0.183 0.000 1.114 199 M CB -0.263 32.191 32.600 -0.244 0.000 1.361 199 M HN 0.253 nan 8.290 nan 0.000 0.408 200 K N -0.164 120.191 120.400 -0.074 0.000 2.504 200 K HA 0.002 4.323 4.320 0.001 0.000 0.195 200 K C 1.667 178.263 176.600 -0.007 0.000 1.036 200 K CA 0.716 56.992 56.287 -0.018 0.000 0.984 200 K CB 0.009 32.538 32.500 0.048 0.000 0.788 200 K HN 0.428 nan 8.250 nan 0.000 0.488 201 M N -0.131 119.452 119.600 -0.028 0.000 2.388 201 M HA -0.021 4.459 4.480 0.001 0.000 0.265 201 M C 1.827 178.121 176.300 -0.010 0.000 1.088 201 M CA 1.148 56.439 55.300 -0.015 0.000 1.134 201 M CB 0.053 32.636 32.600 -0.029 0.000 1.384 201 M HN 0.096 nan 8.290 nan 0.000 0.447 202 I N -0.762 119.789 120.570 -0.030 0.000 2.339 202 I HA -0.092 4.079 4.170 0.001 0.000 0.245 202 I C 0.441 176.571 176.117 0.023 0.000 1.096 202 I CA 0.814 62.110 61.300 -0.007 0.000 1.408 202 I CB 0.205 38.174 38.000 -0.052 0.000 1.092 202 I HN 0.100 nan 8.210 nan 0.000 0.423 203 D N -0.088 120.303 120.400 -0.014 0.000 2.402 203 D HA 0.205 4.845 4.640 0.001 0.000 0.252 203 D C -2.120 174.186 176.300 0.010 0.000 1.294 203 D CA -1.884 52.120 54.000 0.008 0.000 0.948 203 D CB 1.720 42.524 40.800 0.006 0.000 1.202 203 D HN -0.143 nan 8.370 nan 0.000 0.561 204 P HA -0.044 nan 4.420 nan 0.000 0.229 204 P C 1.187 178.513 177.300 0.044 0.000 1.160 204 P CA 0.585 63.705 63.100 0.033 0.000 0.777 204 P CB 0.268 31.988 31.700 0.032 0.000 0.814 205 S N -0.551 115.181 115.700 0.053 0.000 2.522 205 S HA -0.007 4.463 4.470 0.001 0.000 0.227 205 S C 1.028 175.689 174.600 0.101 0.000 0.986 205 S CA -0.343 57.899 58.200 0.069 0.000 0.929 205 S CB -1.363 61.878 63.200 0.069 0.000 0.769 205 S HN 0.211 nan 8.310 nan 0.000 0.529 206 I N -0.461 120.176 120.570 0.112 0.000 2.882 206 I HA 0.476 4.646 4.170 0.001 0.000 0.286 206 I C -0.204 176.019 176.117 0.175 0.000 1.139 206 I CA -0.639 60.769 61.300 0.181 0.000 1.379 206 I CB 0.513 38.616 38.000 0.171 0.000 1.410 206 I HN 0.011 nan 8.210 nan 0.000 0.594 207 E N 4.397 124.751 120.200 0.256 0.000 2.212 207 E HA 0.648 4.998 4.350 0.001 0.000 0.268 207 E C -1.312 175.482 176.600 0.324 0.000 0.902 207 E CA -0.823 55.730 56.400 0.254 0.000 0.779 207 E CB 2.636 32.539 29.700 0.338 0.000 1.172 207 E HN 0.497 nan 8.360 nan 0.000 0.409 208 L N 1.987 123.366 121.223 0.259 0.000 2.365 208 L HA 0.491 4.831 4.340 0.001 0.000 0.273 208 L C -0.891 176.166 176.870 0.311 0.000 1.000 208 L CA -1.098 53.904 54.840 0.271 0.000 0.819 208 L CB 1.963 44.123 42.059 0.168 0.000 1.284 208 L HN 0.245 nan 8.230 nan 0.000 0.418 209 V N 2.237 122.346 119.914 0.325 0.000 2.370 209 V HA 0.605 4.725 4.120 0.001 0.000 0.283 209 V C 0.355 176.609 176.094 0.266 0.000 1.023 209 V CA -0.598 61.892 62.300 0.317 0.000 0.857 209 V CB 1.440 33.420 31.823 0.262 0.000 0.985 209 V HN 0.837 nan 8.190 nan 0.000 0.443 210 A N 3.925 126.895 122.820 0.249 0.000 2.331 210 A HA 0.485 4.805 4.320 0.001 0.000 0.283 210 A C 0.156 177.953 177.584 0.355 0.000 1.142 210 A CA -0.299 51.919 52.037 0.302 0.000 0.812 210 A CB 0.336 19.463 19.000 0.212 0.000 1.074 210 A HN 0.874 nan 8.150 nan 0.000 0.497 211 C N 2.662 122.252 119.300 0.483 0.000 2.632 211 C HA 0.516 4.977 4.460 0.001 0.000 0.415 211 C C 1.517 176.753 174.990 0.409 0.000 1.332 211 C CA 0.249 59.435 59.018 0.281 0.000 1.874 211 C CB -0.422 27.323 27.740 0.008 0.000 2.596 211 C HN 1.002 nan 8.230 nan 0.000 0.590 212 G N 2.842 111.743 108.800 0.168 0.000 2.510 212 G HA2 0.452 4.412 3.960 0.001 0.000 0.280 212 G HA3 0.452 4.412 3.960 0.001 0.000 0.280 212 G C -0.104 174.650 174.900 -0.244 0.000 1.386 212 G CA -0.280 44.928 45.100 0.180 0.000 1.047 212 G HN 0.752 nan 8.290 nan 0.000 0.527 213 S N -0.914 114.640 115.700 -0.243 0.000 2.584 213 S HA 0.173 4.644 4.470 0.001 0.000 0.270 213 S C 1.771 176.147 174.600 -0.374 0.000 1.346 213 S CA -0.166 57.763 58.200 -0.453 0.000 1.018 213 S CB 1.457 64.615 63.200 -0.069 0.000 0.899 213 S HN 0.546 nan 8.310 nan 0.000 0.542 214 S N 1.359 116.883 115.700 -0.293 0.000 2.359 214 S HA -0.049 4.422 4.470 0.001 0.000 0.224 214 S C 0.989 175.600 174.600 0.018 0.000 1.035 214 S CA 1.107 59.290 58.200 -0.030 0.000 1.018 214 S CB -0.212 63.145 63.200 0.262 0.000 0.876 214 S HN 0.912 nan 8.310 nan 0.000 0.448 215 S N 0.117 115.769 115.700 -0.079 0.000 2.638 215 S HA 0.449 4.919 4.470 0.001 0.000 0.274 215 S C 0.067 174.398 174.600 -0.449 0.000 1.157 215 S CA -0.956 57.108 58.200 -0.227 0.000 0.826 215 S CB 1.677 64.789 63.200 -0.145 0.000 1.139 215 S HN 0.282 nan 8.310 nan 0.000 0.474 216 K N -0.217 119.665 120.400 -0.864 0.000 2.439 216 K HA 0.056 4.376 4.320 0.001 0.000 0.197 216 K C 0.106 176.420 176.600 -0.476 0.000 1.041 216 K CA 1.050 56.622 56.287 -1.193 0.000 0.970 216 K CB -0.337 31.270 32.500 -1.489 0.000 0.773 216 K HN 0.492 nan 8.250 nan 0.000 0.479 217 D N 0.600 120.830 120.400 -0.282 0.000 2.347 217 D HA 0.015 4.655 4.640 0.001 0.000 0.213 217 D C 0.362 176.654 176.300 -0.013 0.000 0.985 217 D CA 0.385 54.323 54.000 -0.104 0.000 0.879 217 D CB 0.146 40.892 40.800 -0.090 0.000 0.919 217 D HN 0.194 nan 8.370 nan 0.000 0.526 218 M N 1.300 120.897 119.600 -0.005 0.000 2.252 218 M HA 0.038 4.519 4.480 0.001 0.000 0.348 218 M C -1.448 174.921 176.300 0.114 0.000 1.334 218 M CA -1.407 53.925 55.300 0.053 0.000 1.071 218 M CB 0.414 33.026 32.600 0.020 0.000 1.763 218 M HN -0.251 nan 8.290 nan 0.000 0.452 219 P HA -0.084 nan 4.420 nan 0.000 0.222 219 P C 1.049 178.434 177.300 0.141 0.000 1.147 219 P CA 1.211 64.377 63.100 0.111 0.000 0.790 219 P CB -0.107 31.641 31.700 0.081 0.000 0.780 220 T N -5.105 109.545 114.554 0.160 0.000 3.129 220 T HA 0.052 4.402 4.350 0.001 0.000 0.251 220 T C 0.289 175.146 174.700 0.261 0.000 1.117 220 T CA -0.346 61.877 62.100 0.204 0.000 1.034 220 T CB -0.964 68.055 68.868 0.253 0.000 0.968 220 T HN -0.073 nan 8.240 nan 0.000 0.526 221 F N 4.227 124.239 119.950 0.103 0.000 2.412 221 F HA 0.466 4.993 4.527 0.001 0.000 0.348 221 F C -2.034 173.834 175.800 0.113 0.000 1.102 221 F CA -2.474 55.598 58.000 0.120 0.000 1.196 221 F CB 1.526 40.574 39.000 0.080 0.000 1.144 221 F HN -0.104 nan 8.300 nan 0.000 0.541 222 P HA 0.083 nan 4.420 nan 0.000 0.257 222 P C -0.019 177.171 177.300 -0.184 0.000 1.737 222 P CA 0.161 62.749 63.100 -0.852 0.000 1.130 222 P CB 0.618 31.594 31.700 -1.207 0.000 1.572 223 Q N -1.051 118.751 119.800 0.002 0.000 2.339 223 Q HA -0.032 4.308 4.340 0.001 0.000 0.205 223 Q C 1.390 177.476 176.000 0.145 0.000 0.925 223 Q CA 0.149 55.989 55.803 0.062 0.000 0.898 223 Q CB -0.159 28.609 28.738 0.050 0.000 1.013 223 Q HN 0.222 nan 8.270 nan 0.000 0.504 224 W N 2.037 123.367 121.300 0.050 0.000 2.286 224 W HA -0.369 4.292 4.660 0.001 0.000 0.341 224 W C 1.317 177.896 176.519 0.100 0.000 1.359 224 W CA 2.642 60.042 57.345 0.091 0.000 1.269 224 W CB -0.374 29.149 29.460 0.105 0.000 1.123 224 W HN 0.250 nan 8.180 nan 0.000 0.467 225 E N -0.011 120.415 120.200 0.378 0.000 2.070 225 E HA -0.187 4.164 4.350 0.001 0.000 0.197 225 E C 2.343 179.016 176.600 0.123 0.000 1.004 225 E CA 2.348 58.899 56.400 0.251 0.000 0.805 225 E CB -1.019 28.791 29.700 0.183 0.000 0.744 225 E HN 0.310 nan 8.360 nan 0.000 0.451 226 A N 0.054 122.931 122.820 0.094 0.000 1.877 226 A HA -0.204 4.117 4.320 0.001 0.000 0.216 226 A C 2.411 180.020 177.584 0.042 0.000 1.186 226 A CA 2.145 54.244 52.037 0.102 0.000 0.620 226 A CB -1.065 18.023 19.000 0.147 0.000 0.822 226 A HN 0.286 nan 8.150 nan 0.000 0.443 227 T N -0.200 114.358 114.554 0.008 0.000 2.674 227 T HA -0.133 4.217 4.350 0.001 0.000 0.265 227 T C 1.911 176.613 174.700 0.003 0.000 1.039 227 T CA 1.693 63.770 62.100 -0.037 0.000 1.150 227 T CB -0.551 68.302 68.868 -0.024 0.000 0.864 227 T HN 0.144 nan 8.240 nan 0.000 0.427 228 V N 1.578 121.461 119.914 -0.051 0.000 2.287 228 V HA -0.144 3.977 4.120 0.001 0.000 0.248 228 V C 2.508 178.636 176.094 0.057 0.000 1.053 228 V CA 1.586 63.869 62.300 -0.028 0.000 1.027 228 V CB -0.712 31.061 31.823 -0.084 0.000 0.646 228 V HN 0.433 nan 8.190 nan 0.000 0.447 229 L N -0.168 121.095 121.223 0.066 0.000 2.141 229 L HA -0.165 4.176 4.340 0.001 0.000 0.209 229 L C 2.331 179.279 176.870 0.130 0.000 1.094 229 L CA 1.586 56.492 54.840 0.110 0.000 0.763 229 L CB -0.609 41.534 42.059 0.140 0.000 0.908 229 L HN 0.374 nan 8.230 nan 0.000 0.437 230 D N -0.702 119.700 120.400 0.003 0.000 2.178 230 D HA -0.207 4.433 4.640 0.001 0.000 0.201 230 D C 1.956 178.159 176.300 -0.162 0.000 0.980 230 D CA 1.497 55.414 54.000 -0.138 0.000 0.842 230 D CB 0.103 40.742 40.800 -0.269 0.000 0.948 230 D HN 0.245 nan 8.370 nan 0.000 0.472 231 Y N -0.069 120.216 120.300 -0.025 0.000 2.201 231 Y HA 0.248 4.798 4.550 0.001 0.000 0.292 231 Y C 2.283 178.203 175.900 0.034 0.000 1.119 231 Y CA 1.192 59.276 58.100 -0.028 0.000 1.127 231 Y CB -0.308 38.096 38.460 -0.093 0.000 1.019 231 Y HN 0.001 nan 8.280 nan 0.000 0.514 232 A N -1.992 120.948 122.820 0.200 0.000 2.348 232 A HA 0.048 4.369 4.320 0.001 0.000 0.224 232 A C 1.489 179.171 177.584 0.164 0.000 1.227 232 A CA -0.312 51.834 52.037 0.182 0.000 0.885 232 A CB -0.989 18.050 19.000 0.064 0.000 0.933 232 A HN 0.515 nan 8.150 nan 0.000 0.506 233 Y N 1.546 121.850 120.300 0.006 0.000 2.062 233 Y HA -0.334 4.217 4.550 0.001 0.000 0.276 233 Y C 1.480 177.297 175.900 -0.138 0.000 1.189 233 Y CA 2.614 60.673 58.100 -0.068 0.000 1.130 233 Y CB 0.081 38.478 38.460 -0.104 0.000 0.959 233 Y HN 0.396 nan 8.280 nan 0.000 0.499 234 D N -1.909 118.459 120.400 -0.053 0.000 2.371 234 D HA -0.130 4.510 4.640 0.001 0.000 0.221 234 D C 0.855 176.779 176.300 -0.627 0.000 0.986 234 D CA 1.184 54.943 54.000 -0.403 0.000 0.899 234 D CB -0.185 40.212 40.800 -0.672 0.000 0.902 234 D HN 0.523 nan 8.370 nan 0.000 0.530 235 Y N -0.698 119.592 120.300 -0.017 0.000 2.432 235 Y HA 0.143 4.693 4.550 0.001 0.000 0.252 235 Y C 0.835 176.707 175.900 -0.047 0.000 1.097 235 Y CA -0.509 57.572 58.100 -0.031 0.000 1.250 235 Y CB 0.508 38.951 38.460 -0.027 0.000 1.245 235 Y HN -0.229 nan 8.280 nan 0.000 0.522 236 V N -2.782 117.143 119.914 0.019 0.000 2.994 236 V HA 0.547 4.668 4.120 0.001 0.000 0.318 236 V C -0.089 175.916 176.094 -0.148 0.000 1.085 236 V CA -0.586 61.700 62.300 -0.022 0.000 0.998 236 V CB 2.364 34.187 31.823 -0.000 0.000 1.063 236 V HN -0.006 nan 8.190 nan 0.000 0.447 237 D N -0.332 119.971 120.400 -0.162 0.000 2.469 237 D HA 0.215 4.855 4.640 0.001 0.000 0.240 237 D C -0.543 175.421 176.300 -0.560 0.000 1.087 237 D CA 0.966 54.722 54.000 -0.405 0.000 0.876 237 D CB 0.690 41.180 40.800 -0.516 0.000 1.160 237 D HN 0.660 nan 8.370 nan 0.000 0.497 238 Y N 0.087 120.418 120.300 0.052 0.000 2.512 238 Y HA 0.489 5.039 4.550 0.001 0.000 0.348 238 Y C -0.503 175.430 175.900 0.055 0.000 0.990 238 Y CA -1.204 56.939 58.100 0.071 0.000 1.033 238 Y CB 1.979 40.504 38.460 0.107 0.000 1.259 238 Y HN -0.294 nan 8.280 nan 0.000 0.461 239 I N 1.981 122.678 120.570 0.211 0.000 2.525 239 I HA 0.612 4.783 4.170 0.001 0.000 0.301 239 I C -0.256 175.941 176.117 0.133 0.000 0.992 239 I CA -0.283 61.114 61.300 0.161 0.000 1.162 239 I CB 1.414 39.481 38.000 0.111 0.000 1.332 239 I HN 0.653 nan 8.210 nan 0.000 0.458 240 S N 6.971 122.738 115.700 0.111 0.000 2.565 240 S HA 0.853 5.323 4.470 0.001 0.000 0.290 240 S C -0.900 173.652 174.600 -0.081 0.000 1.150 240 S CA -0.676 57.554 58.200 0.050 0.000 1.058 240 S CB 1.315 64.597 63.200 0.136 0.000 1.032 240 S HN 0.425 nan 8.310 nan 0.000 0.510 241 L N 2.309 123.397 121.223 -0.225 0.000 2.381 241 L HA 0.555 4.895 4.340 0.001 0.000 0.268 241 L C -0.276 176.478 176.870 -0.193 0.000 0.997 241 L CA -0.435 54.116 54.840 -0.482 0.000 0.818 241 L CB 1.830 43.068 42.059 -1.368 0.000 1.310 241 L HN 0.829 nan 8.230 nan 0.000 0.416 242 H N 1.728 120.713 119.070 -0.141 0.000 2.589 242 H HA 0.662 5.218 4.556 0.001 0.000 0.351 242 H C -1.182 174.179 175.328 0.054 0.000 1.074 242 H CA -0.870 55.175 56.048 -0.005 0.000 1.203 242 H CB 2.629 32.407 29.762 0.027 0.000 1.558 242 H HN 0.406 nan 8.280 nan 0.000 0.522 243 Q N 2.776 122.668 119.800 0.153 0.000 2.268 243 Q HA 0.309 4.649 4.340 0.001 0.000 0.266 243 Q C -2.143 173.614 176.000 -0.404 0.000 1.006 243 Q CA -0.631 55.125 55.803 -0.078 0.000 0.824 243 Q CB 1.343 30.203 28.738 0.203 0.000 1.306 243 Q HN 0.512 nan 8.270 nan 0.000 0.424 244 Y N 2.214 122.429 120.300 -0.143 0.000 2.462 244 Y HA 0.660 5.210 4.550 0.001 0.000 0.346 244 Y C -1.031 174.694 175.900 -0.292 0.000 0.976 244 Y CA -0.715 57.348 58.100 -0.061 0.000 1.044 244 Y CB 1.685 40.242 38.460 0.161 0.000 1.230 244 Y HN 0.522 nan 8.280 nan 0.000 0.455 245 Y N 0.198 120.710 120.300 0.354 0.000 2.524 245 Y HA 0.805 5.355 4.550 0.001 0.000 0.344 245 Y C 0.404 176.483 175.900 0.297 0.000 1.012 245 Y CA -1.508 56.736 58.100 0.239 0.000 1.068 245 Y CB 2.445 40.981 38.460 0.126 0.000 1.249 245 Y HN 0.692 nan 8.280 nan 0.000 0.468 246 G N 0.559 109.559 108.800 0.333 0.000 2.660 246 G HA2 0.346 4.306 3.960 0.001 0.000 0.294 246 G HA3 0.346 4.306 3.960 0.001 0.000 0.294 246 G C -1.275 173.259 174.900 -0.611 0.000 1.369 246 G CA -0.860 44.077 45.100 -0.273 0.000 0.912 246 G HN 0.467 nan 8.290 nan 0.000 0.479 247 N N -0.386 117.223 118.700 -1.818 0.000 2.598 247 N HA 0.158 4.898 4.740 0.001 0.000 0.309 247 N C 1.242 176.413 175.510 -0.565 0.000 1.645 247 N CA -0.334 52.026 53.050 -1.150 0.000 0.936 247 N CB 0.534 38.067 38.487 -1.591 0.000 1.323 247 N HN 0.494 nan 8.380 nan 0.000 0.497 248 K N -0.131 120.069 120.400 -0.332 0.000 2.147 248 K HA -0.060 4.260 4.320 0.001 0.000 0.205 248 K C 0.900 177.483 176.600 -0.029 0.000 1.049 248 K CA 1.140 57.408 56.287 -0.032 0.000 0.936 248 K CB 0.259 32.764 32.500 0.008 0.000 0.722 248 K HN 0.425 nan 8.250 nan 0.000 0.446 249 E N 0.443 120.607 120.200 -0.060 0.000 2.268 249 E HA -0.125 4.226 4.350 0.001 0.000 0.195 249 E C 0.234 176.825 176.600 -0.014 0.000 0.995 249 E CA 0.122 56.509 56.400 -0.021 0.000 0.836 249 E CB -0.047 29.650 29.700 -0.006 0.000 0.763 249 E HN 0.199 nan 8.360 nan 0.000 0.491 250 N N 1.392 120.065 118.700 -0.045 0.000 2.780 250 N HA -0.151 4.589 4.740 0.001 0.000 0.248 250 N C -1.461 174.050 175.510 0.001 0.000 1.102 250 N CA 0.745 53.782 53.050 -0.022 0.000 0.697 250 N CB -0.993 37.503 38.487 0.016 0.000 1.028 250 N HN 0.161 nan 8.380 nan 0.000 0.554 251 D N -0.250 120.151 120.400 0.002 0.000 2.458 251 D HA 0.347 4.987 4.640 0.001 0.000 0.258 251 D C 1.052 177.412 176.300 0.099 0.000 1.134 251 D CA -0.205 53.830 54.000 0.057 0.000 0.915 251 D CB 0.472 41.316 40.800 0.074 0.000 1.028 251 D HN 0.120 nan 8.370 nan 0.000 0.508 252 T N 1.171 115.781 114.554 0.094 0.000 2.720 252 T HA -0.161 4.190 4.350 0.001 0.000 0.268 252 T C 1.882 176.679 174.700 0.162 0.000 1.037 252 T CA 1.579 63.770 62.100 0.153 0.000 1.144 252 T CB 0.085 69.016 68.868 0.106 0.000 0.864 252 T HN 0.487 nan 8.240 nan 0.000 0.444 253 A N 1.582 124.466 122.820 0.106 0.000 1.883 253 A HA -0.178 4.142 4.320 0.001 0.000 0.217 253 A C 2.143 179.810 177.584 0.138 0.000 1.186 253 A CA 2.140 54.240 52.037 0.104 0.000 0.624 253 A CB -0.905 18.163 19.000 0.113 0.000 0.822 253 A HN 0.492 nan 8.150 nan 0.000 0.444 254 D N -1.953 118.541 120.400 0.156 0.000 2.183 254 D HA -0.101 4.539 4.640 0.001 0.000 0.203 254 D C 1.564 177.934 176.300 0.117 0.000 0.969 254 D CA 0.936 55.038 54.000 0.169 0.000 0.842 254 D CB -0.190 40.729 40.800 0.199 0.000 0.957 254 D HN 0.340 nan 8.370 nan 0.000 0.484 255 F N 0.715 120.647 119.950 -0.031 0.000 2.134 255 F HA -0.015 4.512 4.527 0.001 0.000 0.299 255 F C 1.672 177.390 175.800 -0.137 0.000 1.097 255 F CA 1.184 59.132 58.000 -0.086 0.000 1.264 255 F CB -0.203 38.758 39.000 -0.065 0.000 1.001 255 F HN -0.015 nan 8.300 nan 0.000 0.479 256 L N -0.411 120.723 121.223 -0.148 0.000 2.478 256 L HA 0.025 4.365 4.340 0.001 0.000 0.223 256 L C 2.376 179.091 176.870 -0.258 0.000 1.140 256 L CA 0.683 55.376 54.840 -0.246 0.000 0.842 256 L CB -0.865 41.150 42.059 -0.075 0.000 0.953 256 L HN 0.201 nan 8.230 nan 0.000 0.452 257 A N -0.201 122.451 122.820 -0.280 0.000 2.208 257 A HA -0.065 4.255 4.320 0.001 0.000 0.209 257 A C 2.068 179.283 177.584 -0.615 0.000 1.161 257 A CA 0.551 52.332 52.037 -0.427 0.000 0.782 257 A CB -0.169 18.515 19.000 -0.527 0.000 0.816 257 A HN 0.263 nan 8.150 nan 0.000 0.477 258 K N 0.699 120.735 120.400 -0.608 0.000 2.504 258 K HA -0.065 4.255 4.320 0.001 0.000 0.195 258 K C 1.900 178.126 176.600 -0.624 0.000 1.036 258 K CA 1.059 56.927 56.287 -0.698 0.000 0.984 258 K CB -0.047 31.837 32.500 -1.028 0.000 0.788 258 K HN 0.649 nan 8.250 nan 0.000 0.488 259 S N 0.701 116.145 115.700 -0.427 0.000 2.481 259 S HA -0.107 4.363 4.470 0.001 0.000 0.231 259 S C 1.213 175.758 174.600 -0.091 0.000 0.996 259 S CA 0.966 59.041 58.200 -0.207 0.000 0.942 259 S CB -0.025 63.080 63.200 -0.158 0.000 0.768 259 S HN 0.151 nan 8.310 nan 0.000 0.520 260 D N 2.230 122.553 120.400 -0.129 0.000 2.144 260 D HA -0.028 4.612 4.640 0.001 0.000 0.200 260 D C 1.430 177.758 176.300 0.048 0.000 0.978 260 D CA 1.088 55.064 54.000 -0.040 0.000 0.833 260 D CB -0.395 40.360 40.800 -0.077 0.000 0.961 260 D HN 0.389 nan 8.370 nan 0.000 0.470 261 D N 0.043 120.474 120.400 0.052 0.000 2.178 261 D HA -0.097 4.543 4.640 0.001 0.000 0.202 261 D C 2.128 178.584 176.300 0.259 0.000 0.974 261 D CA 0.218 54.319 54.000 0.170 0.000 0.841 261 D CB -0.167 40.758 40.800 0.208 0.000 0.953 261 D HN 0.151 nan 8.370 nan 0.000 0.478 262 L N 1.123 122.510 121.223 0.274 0.000 2.056 262 L HA -0.150 4.191 4.340 0.001 0.000 0.207 262 L C 1.733 178.754 176.870 0.252 0.000 1.078 262 L CA 1.766 56.819 54.840 0.356 0.000 0.749 262 L CB -0.443 41.777 42.059 0.268 0.000 0.901 262 L HN -0.158 nan 8.230 nan 0.000 0.433 263 D N -1.003 119.492 120.400 0.159 0.000 2.097 263 D HA -0.219 4.421 4.640 0.001 0.000 0.195 263 D C 1.657 178.027 176.300 0.116 0.000 0.989 263 D CA 1.494 55.577 54.000 0.137 0.000 0.827 263 D CB 0.056 40.953 40.800 0.161 0.000 0.966 263 D HN 0.387 nan 8.370 nan 0.000 0.456 264 D N -0.600 119.897 120.400 0.162 0.000 2.117 264 D HA -0.163 4.478 4.640 0.001 0.000 0.197 264 D C 1.722 178.168 176.300 0.244 0.000 0.987 264 D CA 0.491 54.597 54.000 0.175 0.000 0.829 264 D CB -0.477 40.428 40.800 0.175 0.000 0.961 264 D HN 0.251 nan 8.370 nan 0.000 0.460 265 F N 1.533 121.548 119.950 0.108 0.000 2.095 265 F HA -0.131 4.397 4.527 0.001 0.000 0.298 265 F C 2.112 177.984 175.800 0.119 0.000 1.104 265 F CA 0.933 59.005 58.000 0.120 0.000 1.232 265 F CB -0.660 38.396 39.000 0.094 0.000 0.987 265 F HN -0.119 nan 8.300 nan 0.000 0.475 266 I N 0.181 120.698 120.570 -0.090 0.000 2.179 266 I HA -0.321 3.849 4.170 0.001 0.000 0.242 266 I C 2.623 178.618 176.117 -0.204 0.000 1.088 266 I CA 1.484 62.618 61.300 -0.277 0.000 1.357 266 I CB -0.485 37.281 38.000 -0.390 0.000 1.051 266 I HN 0.052 nan 8.210 nan 0.000 0.409 267 R N 0.095 120.522 120.500 -0.122 0.000 2.096 267 R HA -0.116 4.224 4.340 0.001 0.000 0.235 267 R C 2.503 178.822 176.300 0.033 0.000 1.127 267 R CA 1.571 57.659 56.100 -0.021 0.000 0.968 267 R CB -0.382 29.948 30.300 0.049 0.000 0.861 267 R HN 0.268 nan 8.270 nan 0.000 0.440 268 S N 0.254 116.009 115.700 0.092 0.000 2.368 268 S HA -0.098 4.373 4.470 0.001 0.000 0.225 268 S C 2.048 176.690 174.600 0.069 0.000 1.030 268 S CA 1.188 59.466 58.200 0.129 0.000 0.999 268 S CB -0.054 63.336 63.200 0.318 0.000 0.844 268 S HN 0.087 nan 8.310 nan 0.000 0.459 269 V N 1.838 121.782 119.914 0.050 0.000 2.379 269 V HA -0.104 4.017 4.120 0.001 0.000 0.245 269 V C 2.006 178.098 176.094 -0.003 0.000 1.044 269 V CA 1.303 63.606 62.300 0.004 0.000 1.036 269 V CB -0.614 31.148 31.823 -0.101 0.000 0.664 269 V HN 0.442 nan 8.190 nan 0.000 0.453 270 I N 0.650 121.212 120.570 -0.013 0.000 2.179 270 I HA -0.253 3.917 4.170 0.001 0.000 0.242 270 I C 2.689 178.824 176.117 0.031 0.000 1.088 270 I CA 1.563 62.869 61.300 0.009 0.000 1.357 270 I CB -0.599 37.411 38.000 0.017 0.000 1.051 270 I HN 0.289 nan 8.210 nan 0.000 0.409 271 A N 0.391 123.231 122.820 0.034 0.000 1.902 271 A HA -0.211 4.109 4.320 0.001 0.000 0.217 271 A C 2.382 180.007 177.584 0.068 0.000 1.181 271 A CA 2.487 54.551 52.037 0.044 0.000 0.623 271 A CB -1.115 17.902 19.000 0.029 0.000 0.818 271 A HN 0.404 nan 8.150 nan 0.000 0.443 272 T N -0.735 113.848 114.554 0.049 0.000 2.746 272 T HA -0.190 4.160 4.350 0.001 0.000 0.267 272 T C 1.918 176.705 174.700 0.145 0.000 1.039 272 T CA 1.556 63.709 62.100 0.088 0.000 1.142 272 T CB -0.713 68.163 68.868 0.014 0.000 0.866 272 T HN 0.582 nan 8.240 nan 0.000 0.444 273 C N 1.724 121.079 119.300 0.092 0.000 2.432 273 C HA -0.082 4.378 4.460 0.001 0.000 0.277 273 C C 2.620 177.672 174.990 0.102 0.000 1.249 273 C CA 0.482 59.555 59.018 0.092 0.000 1.725 273 C CB -0.983 26.775 27.740 0.030 0.000 2.028 273 C HN 0.552 nan 8.230 nan 0.000 0.477 274 D N -0.713 119.733 120.400 0.077 0.000 2.178 274 D HA -0.114 4.526 4.640 0.001 0.000 0.202 274 D C 1.671 178.008 176.300 0.062 0.000 0.974 274 D CA 1.060 55.094 54.000 0.056 0.000 0.841 274 D CB -0.513 40.316 40.800 0.049 0.000 0.953 274 D HN 0.682 nan 8.370 nan 0.000 0.478 275 Y N 1.499 121.788 120.300 -0.018 0.000 2.145 275 Y HA -0.171 4.380 4.550 0.001 0.000 0.286 275 Y C 1.960 177.824 175.900 -0.059 0.000 1.145 275 Y CA 1.233 59.311 58.100 -0.036 0.000 1.148 275 Y CB -0.263 38.176 38.460 -0.034 0.000 0.981 275 Y HN -0.149 nan 8.280 nan 0.000 0.507 276 I N 1.136 121.523 120.570 -0.304 0.000 2.315 276 I HA -0.246 3.924 4.170 0.001 0.000 0.248 276 I C 2.405 178.259 176.117 -0.438 0.000 1.117 276 I CA 1.480 62.532 61.300 -0.414 0.000 1.404 276 I CB -1.275 36.664 38.000 -0.101 0.000 1.071 276 I HN 0.321 nan 8.210 nan 0.000 0.419 277 K N 1.503 121.747 120.400 -0.260 0.000 2.032 277 K HA -0.202 4.119 4.320 0.001 0.000 0.209 277 K C 2.169 178.586 176.600 -0.306 0.000 1.048 277 K CA 1.873 57.975 56.287 -0.308 0.000 0.927 277 K CB 0.021 32.492 32.500 -0.048 0.000 0.712 277 K HN 0.251 nan 8.250 nan 0.000 0.441 278 A N 1.272 123.953 122.820 -0.231 0.000 1.930 278 A HA -0.169 4.152 4.320 0.001 0.000 0.217 278 A C 2.027 179.461 177.584 -0.250 0.000 1.175 278 A CA 1.660 53.581 52.037 -0.192 0.000 0.627 278 A CB -0.400 18.530 19.000 -0.117 0.000 0.815 278 A HN 0.383 nan 8.150 nan 0.000 0.443 279 K N -0.424 119.756 120.400 -0.368 0.000 2.097 279 K HA -0.122 4.199 4.320 0.001 0.000 0.206 279 K C 1.518 177.926 176.600 -0.320 0.000 1.049 279 K CA 1.326 57.393 56.287 -0.366 0.000 0.933 279 K CB 0.003 32.197 32.500 -0.509 0.000 0.717 279 K HN 0.192 nan 8.250 nan 0.000 0.442 280 K N 0.389 120.549 120.400 -0.401 0.000 2.361 280 K HA 0.025 4.345 4.320 0.001 0.000 0.196 280 K C 0.138 176.567 176.600 -0.286 0.000 1.039 280 K CA 0.291 56.343 56.287 -0.391 0.000 1.001 280 K CB 0.261 32.372 32.500 -0.648 0.000 0.795 280 K HN 0.084 nan 8.250 nan 0.000 0.495 281 R N 0.627 120.978 120.500 -0.250 0.000 3.416 281 R HA -0.131 4.210 4.340 0.001 0.000 0.263 281 R C -0.114 176.089 176.300 -0.161 0.000 1.053 281 R CA 0.656 56.653 56.100 -0.172 0.000 0.705 281 R CB -2.563 27.659 30.300 -0.129 0.000 1.124 281 R HN 0.077 nan 8.270 nan 0.000 0.444 282 S N -0.553 115.021 115.700 -0.209 0.000 2.585 282 S HA 0.355 4.825 4.470 0.001 0.000 0.277 282 S C 1.028 175.587 174.600 -0.067 0.000 1.241 282 S CA -0.789 57.326 58.200 -0.142 0.000 1.041 282 S CB 1.019 64.110 63.200 -0.182 0.000 0.987 282 S HN 0.341 nan 8.310 nan 0.000 0.512 283 K N 1.589 121.971 120.400 -0.030 0.000 2.393 283 K HA 0.138 4.458 4.320 0.001 0.000 0.193 283 K C 0.418 177.020 176.600 0.004 0.000 1.026 283 K CA 0.170 56.448 56.287 -0.015 0.000 1.064 283 K CB 0.167 32.658 32.500 -0.014 0.000 0.833 283 K HN 0.404 nan 8.250 nan 0.000 0.521 284 K N 1.987 122.407 120.400 0.034 0.000 2.205 284 K HA 0.045 4.366 4.320 0.001 0.000 0.279 284 K C -0.944 175.654 176.600 -0.004 0.000 1.027 284 K CA -0.347 55.953 56.287 0.021 0.000 0.932 284 K CB 0.790 33.309 32.500 0.031 0.000 1.032 284 K HN -0.123 nan 8.250 nan 0.000 0.466 285 D N 4.113 124.412 120.400 -0.168 0.000 2.225 285 D HA 0.180 4.820 4.640 0.001 0.000 0.248 285 D C 0.166 176.100 176.300 -0.610 0.000 1.096 285 D CA -0.344 53.443 54.000 -0.355 0.000 0.863 285 D CB 0.997 41.496 40.800 -0.501 0.000 1.156 285 D HN 0.357 nan 8.370 nan 0.000 0.450 286 I N 2.925 123.213 120.570 -0.470 0.000 2.496 286 I HA 0.053 4.223 4.170 0.001 0.000 0.285 286 I C 0.239 176.098 176.117 -0.429 0.000 1.080 286 I CA -0.127 60.899 61.300 -0.457 0.000 1.404 286 I CB -0.389 37.398 38.000 -0.356 0.000 1.403 286 I HN 0.207 nan 8.210 nan 0.000 0.539 287 Y N 5.613 125.875 120.300 -0.063 0.000 2.432 287 Y HA 0.441 4.992 4.550 0.001 0.000 0.322 287 Y C 0.082 176.126 175.900 0.239 0.000 1.246 287 Y CA -0.894 57.272 58.100 0.109 0.000 1.268 287 Y CB 0.898 39.468 38.460 0.183 0.000 1.276 287 Y HN 0.263 nan 8.280 nan 0.000 0.499 288 L N 1.227 122.678 121.223 0.380 0.000 2.282 288 L HA 0.372 4.713 4.340 0.001 0.000 0.288 288 L C 0.016 176.996 176.870 0.184 0.000 1.033 288 L CA -0.058 54.912 54.840 0.217 0.000 0.807 288 L CB 1.529 43.652 42.059 0.108 0.000 1.209 288 L HN 0.549 nan 8.230 nan 0.000 0.423 289 S N 3.652 119.417 115.700 0.109 0.000 2.528 289 S HA 0.357 4.827 4.470 0.001 0.000 0.303 289 S C -0.307 174.338 174.600 0.075 0.000 1.123 289 S CA -0.468 57.737 58.200 0.009 0.000 1.138 289 S CB -0.211 62.933 63.200 -0.094 0.000 0.984 289 S HN 0.349 nan 8.310 nan 0.000 0.474 290 F N 4.728 124.697 119.950 0.032 0.000 2.659 290 F HA 0.214 4.741 4.527 0.001 0.000 0.360 290 F C 0.877 176.768 175.800 0.150 0.000 1.218 290 F CA -1.173 56.881 58.000 0.090 0.000 1.317 290 F CB -0.009 39.009 39.000 0.030 0.000 1.697 290 F HN 0.653 nan 8.300 nan 0.000 0.637 291 D N -0.366 120.164 120.400 0.218 0.000 2.324 291 D HA -0.033 4.607 4.640 0.001 0.000 0.235 291 D C -0.206 176.028 176.300 -0.110 0.000 1.095 291 D CA 0.370 54.406 54.000 0.061 0.000 0.871 291 D CB -0.246 40.527 40.800 -0.046 0.000 0.906 291 D HN 0.428 nan 8.370 nan 0.000 0.522 292 E N 0.474 120.686 120.200 0.019 0.000 2.378 292 E HA 0.248 4.598 4.350 0.001 0.000 0.282 292 E C -1.403 175.279 176.600 0.136 0.000 0.910 292 E CA -0.824 55.510 56.400 -0.111 0.000 0.816 292 E CB 1.387 30.756 29.700 -0.550 0.000 1.359 292 E HN 0.337 nan 8.360 nan 0.000 0.397 293 W N 3.338 124.612 121.300 -0.042 0.000 3.372 293 W HA 0.732 5.393 4.660 0.001 0.000 0.315 293 W C -1.409 175.101 176.519 -0.015 0.000 1.223 293 W CA -0.597 56.680 57.345 -0.114 0.000 1.202 293 W CB 1.333 30.692 29.460 -0.170 0.000 1.367 293 W HN 0.436 nan 8.180 nan 0.000 0.531 294 N N 0.366 119.175 118.700 0.180 0.000 4.016 294 N HA 0.203 4.943 4.740 0.001 0.000 0.227 294 N C -2.124 173.658 175.510 0.452 0.000 1.337 294 N CA -0.486 52.678 53.050 0.191 0.000 0.817 294 N CB 1.832 40.364 38.487 0.075 0.000 1.469 294 N HN 0.266 nan 8.380 nan 0.000 0.448 295 V N 1.554 121.711 119.914 0.405 0.000 2.583 295 V HA 0.519 4.639 4.120 0.001 0.000 0.287 295 V C -0.633 175.902 176.094 0.735 0.000 1.051 295 V CA 0.060 62.714 62.300 0.591 0.000 1.010 295 V CB 0.830 33.008 31.823 0.591 0.000 0.988 295 V HN 0.633 nan 8.190 nan 0.000 0.478 296 W N 8.564 130.126 121.300 0.437 0.000 3.097 296 W HA 0.539 5.199 4.660 0.001 0.000 0.325 296 W C -0.940 175.710 176.519 0.219 0.000 1.056 296 W CA -1.502 55.964 57.345 0.202 0.000 1.254 296 W CB 1.063 30.498 29.460 -0.042 0.000 1.202 296 W HN 0.672 nan 8.180 nan 0.000 0.400 297 Y N 1.277 121.644 120.300 0.110 0.000 2.537 297 Y HA 0.237 4.788 4.550 0.001 0.000 0.302 297 Y C 1.471 177.366 175.900 -0.007 0.000 0.959 297 Y CA 0.592 58.640 58.100 -0.086 0.000 0.971 297 Y CB -0.354 38.037 38.460 -0.116 0.000 1.416 297 Y HN 0.307 nan 8.280 nan 0.000 0.585 298 H N 1.479 120.215 119.070 -0.555 0.000 2.319 298 H HA -0.078 4.478 4.556 0.001 0.000 0.299 298 H C 1.772 176.975 175.328 -0.208 0.000 1.092 298 H CA 2.046 57.791 56.048 -0.505 0.000 1.302 298 H CB 0.164 29.598 29.762 -0.547 0.000 1.373 298 H HN 0.459 nan 8.280 nan 0.000 0.497 299 S N 0.373 116.082 115.700 0.016 0.000 2.671 299 S HA 0.005 4.476 4.470 0.001 0.000 0.220 299 S C 1.364 175.994 174.600 0.049 0.000 0.951 299 S CA -0.190 58.016 58.200 0.011 0.000 0.932 299 S CB 0.026 63.210 63.200 -0.026 0.000 0.777 299 S HN 0.295 nan 8.310 nan 0.000 0.508 300 N N 3.737 122.469 118.700 0.053 0.000 2.018 300 N HA -0.102 4.639 4.740 0.001 0.000 0.196 300 N C 1.297 176.814 175.510 0.012 0.000 1.043 300 N CA 1.718 54.785 53.050 0.029 0.000 0.856 300 N CB -0.739 37.734 38.487 -0.022 0.000 1.042 300 N HN 0.446 nan 8.380 nan 0.000 0.423 301 N N 0.853 119.555 118.700 0.003 0.000 2.120 301 N HA -0.143 4.597 4.740 0.001 0.000 0.188 301 N C 1.632 177.138 175.510 -0.006 0.000 1.024 301 N CA 0.766 53.814 53.050 -0.004 0.000 0.852 301 N CB -0.434 38.049 38.487 -0.006 0.000 1.003 301 N HN 0.349 nan 8.380 nan 0.000 0.424 302 E N 1.092 121.287 120.200 -0.009 0.000 2.110 302 E HA -0.131 4.219 4.350 0.001 0.000 0.193 302 E C 0.886 177.480 176.600 -0.011 0.000 0.988 302 E CA 1.215 57.605 56.400 -0.016 0.000 0.804 302 E CB -0.217 29.466 29.700 -0.029 0.000 0.745 302 E HN 0.209 nan 8.360 nan 0.000 0.458 303 D N -0.296 120.107 120.400 0.005 0.000 2.178 303 D HA -0.078 4.562 4.640 0.001 0.000 0.202 303 D C 1.669 177.980 176.300 0.019 0.000 0.974 303 D CA 1.371 55.384 54.000 0.020 0.000 0.841 303 D CB -0.297 40.543 40.800 0.067 0.000 0.953 303 D HN 0.331 nan 8.370 nan 0.000 0.478 304 A N 0.904 123.730 122.820 0.010 0.000 1.929 304 A HA -0.161 4.159 4.320 0.001 0.000 0.216 304 A C 2.028 179.607 177.584 -0.009 0.000 1.176 304 A CA 0.990 53.027 52.037 -0.000 0.000 0.628 304 A CB -0.361 18.634 19.000 -0.007 0.000 0.816 304 A HN 0.085 nan 8.150 nan 0.000 0.444 305 N N 0.198 118.892 118.700 -0.010 0.000 2.036 305 N HA -0.234 4.506 4.740 0.001 0.000 0.195 305 N C 1.795 177.294 175.510 -0.019 0.000 1.037 305 N CA 2.435 55.476 53.050 -0.014 0.000 0.855 305 N CB -0.830 37.648 38.487 -0.015 0.000 1.033 305 N HN 0.524 nan 8.380 nan 0.000 0.423 306 I N -0.176 120.383 120.570 -0.019 0.000 2.850 306 I HA 0.220 4.390 4.170 0.001 0.000 0.266 306 I C 1.243 177.336 176.117 -0.040 0.000 1.257 306 I CA 1.734 63.018 61.300 -0.026 0.000 1.465 306 I CB -1.683 nan 38.000 nan 0.000 1.091 306 I HN 0.252 nan 8.210 nan 0.000 0.467 307 M N -0.796 118.780 119.600 -0.039 0.000 2.183 307 M HA 0.814 5.294 4.480 0.001 0.000 0.277 307 M C 0.395 176.661 176.300 -0.056 0.000 0.995 307 M CA 0.300 55.560 55.300 -0.065 0.000 0.969 307 M CB 0.086 nan 32.600 nan 0.000 1.659 307 M HN 2.123 nan 8.290 nan 0.000 0.462 308 Q N 1.463 121.219 119.800 -0.073 0.000 2.451 308 Q HA -0.097 4.243 4.340 0.001 0.000 0.292 308 Q C -0.071 175.910 176.000 -0.032 0.000 1.390 308 Q CA 1.502 57.277 55.803 -0.046 0.000 0.753 308 Q CB -2.945 25.777 28.738 -0.028 0.000 1.128 308 Q HN 1.913 nan 8.270 nan 0.000 0.402 309 N N -1.284 117.394 118.700 -0.036 0.000 1.844 309 N HA 0.061 4.801 4.740 0.001 0.000 0.232 309 N C -0.718 174.783 175.510 -0.016 0.000 1.452 309 N CA 0.669 53.707 53.050 -0.020 0.000 0.701 309 N CB 0.895 39.371 38.487 -0.019 0.000 1.038 309 N HN 0.569 nan 8.380 nan 0.000 0.573 310 E N 0.448 120.630 120.200 -0.030 0.000 2.287 310 E HA 0.115 4.466 4.350 0.001 0.000 0.238 310 E C -2.933 173.631 176.600 -0.060 0.000 1.113 310 E CA -0.414 55.974 56.400 -0.020 0.000 0.578 310 E CB 1.142 30.835 29.700 -0.012 0.000 1.006 310 E HN 0.098 nan 8.360 nan 0.000 0.433 311 P HA 0.205 nan 4.420 nan 0.000 0.276 311 P C -0.158 177.091 177.300 -0.085 0.000 1.244 311 P CA 0.155 63.050 63.100 -0.343 0.000 0.801 311 P CB 0.211 31.493 31.700 -0.696 0.000 1.006 312 W N -1.666 119.663 121.300 0.050 0.000 2.279 312 W HA -0.215 4.446 4.660 0.001 0.000 0.275 312 W C 0.316 176.853 176.519 0.030 0.000 1.083 312 W CA -0.440 56.932 57.345 0.045 0.000 0.504 312 W CB -2.090 27.392 29.460 0.037 0.000 2.112 312 W HN 0.345 nan 8.180 nan 0.000 1.261 313 R N 0.900 121.507 120.500 0.178 0.000 2.457 313 R HA 0.016 4.356 4.340 0.001 0.000 0.274 313 R C 0.414 176.776 176.300 0.103 0.000 0.935 313 R CA 0.550 56.710 56.100 0.100 0.000 1.115 313 R CB 0.118 30.444 30.300 0.043 0.000 0.860 313 R HN 0.182 nan 8.270 nan 0.000 0.426 314 I N 1.952 122.556 120.570 0.057 0.000 2.353 314 I HA 0.131 4.302 4.170 0.001 0.000 0.293 314 I C 0.662 176.786 176.117 0.011 0.000 0.992 314 I CA 0.004 61.315 61.300 0.018 0.000 1.268 314 I CB 1.491 39.467 38.000 -0.040 0.000 1.387 314 I HN 0.884 nan 8.210 nan 0.000 0.478 315 A N 6.423 129.258 122.820 0.026 0.000 2.362 315 A HA -0.126 4.195 4.320 0.001 0.000 0.290 315 A C -2.313 175.266 177.584 -0.009 0.000 1.441 315 A CA -0.389 51.665 52.037 0.029 0.000 0.743 315 A CB -1.893 17.150 19.000 0.072 0.000 1.125 315 A HN 0.478 nan 8.150 nan 0.000 0.378 316 P HA 0.314 nan 4.420 nan 0.000 0.274 316 P C -2.641 174.615 177.300 -0.073 0.000 1.231 316 P CA -1.686 61.393 63.100 -0.035 0.000 0.790 316 P CB 0.086 31.769 31.700 -0.027 0.000 0.951 317 P HA 0.159 nan 4.420 nan 0.000 0.235 317 P C -0.276 176.951 177.300 -0.122 0.000 1.765 317 P CA 0.295 63.337 63.100 -0.096 0.000 1.034 317 P CB -0.241 31.417 31.700 -0.069 0.000 1.984 318 L N 2.209 123.330 121.223 -0.170 0.000 2.357 318 L HA 0.229 4.569 4.340 0.001 0.000 0.273 318 L C 1.131 177.825 176.870 -0.293 0.000 1.080 318 L CA -0.952 53.763 54.840 -0.208 0.000 0.803 318 L CB 0.470 42.376 42.059 -0.255 0.000 1.174 318 L HN 0.010 nan 8.230 nan 0.000 0.443 319 L N 1.658 122.724 121.223 -0.262 0.000 3.843 319 L HA -0.229 4.112 4.340 0.001 0.000 0.411 319 L C 0.269 176.936 176.870 -0.338 0.000 1.205 319 L CA 0.852 55.479 54.840 -0.355 0.000 0.945 319 L CB -1.649 40.012 42.059 -0.664 0.000 1.929 319 L HN 0.635 nan 8.230 nan 0.000 0.934 320 E N 0.107 120.167 120.200 -0.233 0.000 2.110 320 E HA 0.141 4.492 4.350 0.001 0.000 0.300 320 E C 0.101 176.573 176.600 -0.213 0.000 1.278 320 E CA -0.470 55.800 56.400 -0.217 0.000 1.365 320 E CB -0.045 29.560 29.700 -0.158 0.000 1.283 320 E HN 0.302 nan 8.360 nan 0.000 0.490 321 D N 1.671 121.890 120.400 -0.300 0.000 2.425 321 D HA 0.031 4.671 4.640 0.001 0.000 0.247 321 D C -0.059 175.958 176.300 -0.473 0.000 1.147 321 D CA 0.215 53.975 54.000 -0.401 0.000 0.879 321 D CB 0.714 41.121 40.800 -0.656 0.000 1.179 321 D HN 0.248 nan 8.370 nan 0.000 0.456 322 I N 3.887 124.283 120.570 -0.291 0.000 2.306 322 I HA 0.127 4.298 4.170 0.001 0.000 0.288 322 I C -0.244 175.806 176.117 -0.112 0.000 1.036 322 I CA -0.650 60.559 61.300 -0.152 0.000 1.221 322 I CB -0.377 37.577 38.000 -0.076 0.000 1.385 322 I HN 0.214 nan 8.210 nan 0.000 0.472 323 Y N 4.393 124.804 120.300 0.186 0.000 2.359 323 Y HA 0.212 4.763 4.550 0.001 0.000 0.330 323 Y C 1.640 177.671 175.900 0.219 0.000 1.143 323 Y CA -0.187 58.061 58.100 0.247 0.000 1.318 323 Y CB 0.803 39.371 38.460 0.180 0.000 1.234 323 Y HN 0.600 nan 8.280 nan 0.000 0.522 324 T N -0.824 114.000 114.554 0.450 0.000 2.849 324 T HA 0.143 4.493 4.350 0.001 0.000 0.276 324 T C 0.782 175.686 174.700 0.341 0.000 0.971 324 T CA -0.529 61.761 62.100 0.317 0.000 0.949 324 T CB 0.524 69.566 68.868 0.289 0.000 1.093 324 T HN 0.556 nan 8.240 nan 0.000 0.545 325 F N 1.706 121.750 119.950 0.157 0.000 2.146 325 F HA -0.007 4.520 4.527 0.001 0.000 0.298 325 F C 2.451 178.372 175.800 0.203 0.000 1.096 325 F CA 1.804 59.895 58.000 0.153 0.000 1.275 325 F CB -0.599 38.461 39.000 0.100 0.000 1.008 325 F HN 0.867 nan 8.300 nan 0.000 0.480 326 E N -0.644 119.582 120.200 0.043 0.000 2.153 326 E HA -0.226 4.124 4.350 0.001 0.000 0.194 326 E C 1.502 178.228 176.600 0.210 0.000 0.988 326 E CA 1.494 57.914 56.400 0.034 0.000 0.811 326 E CB -0.701 29.132 29.700 0.222 0.000 0.746 326 E HN 0.359 nan 8.360 nan 0.000 0.466 327 D N 1.620 122.220 120.400 0.333 0.000 2.117 327 D HA -0.116 4.524 4.640 0.001 0.000 0.197 327 D C 2.068 178.441 176.300 0.123 0.000 0.987 327 D CA 1.717 55.956 54.000 0.399 0.000 0.829 327 D CB -0.358 40.751 40.800 0.515 0.000 0.961 327 D HN 0.364 nan 8.370 nan 0.000 0.460 328 A N 0.649 123.483 122.820 0.023 0.000 1.972 328 A HA -0.109 4.211 4.320 0.001 0.000 0.219 328 A C 2.382 179.870 177.584 -0.160 0.000 1.169 328 A CA 0.818 52.809 52.037 -0.077 0.000 0.635 328 A CB -0.682 18.315 19.000 -0.004 0.000 0.810 328 A HN 0.197 nan 8.150 nan 0.000 0.446 329 L N -1.314 119.776 121.223 -0.221 0.000 2.056 329 L HA -0.144 4.197 4.340 0.001 0.000 0.207 329 L C 2.536 179.352 176.870 -0.091 0.000 1.078 329 L CA 1.087 55.827 54.840 -0.166 0.000 0.749 329 L CB -0.475 41.435 42.059 -0.249 0.000 0.901 329 L HN 0.448 nan 8.230 nan 0.000 0.433 330 L N -0.634 120.517 121.223 -0.120 0.000 2.056 330 L HA -0.124 4.216 4.340 0.001 0.000 0.207 330 L C 2.370 179.205 176.870 -0.060 0.000 1.078 330 L CA 1.460 56.189 54.840 -0.185 0.000 0.749 330 L CB -0.306 41.488 42.059 -0.441 0.000 0.901 330 L HN -0.099 nan 8.230 nan 0.000 0.433 331 V N 0.146 120.063 119.914 0.006 0.000 2.332 331 V HA -0.266 3.854 4.120 0.001 0.000 0.248 331 V C 2.596 178.697 176.094 0.011 0.000 1.055 331 V CA 1.890 64.261 62.300 0.119 0.000 1.038 331 V CB -1.608 30.255 31.823 0.066 0.000 0.651 331 V HN 0.645 nan 8.190 nan 0.000 0.450 332 G N -0.479 108.240 108.800 -0.135 0.000 2.418 332 G HA2 -0.221 3.739 3.960 0.001 0.000 0.217 332 G HA3 -0.221 3.739 3.960 0.001 0.000 0.217 332 G C 1.598 176.590 174.900 0.153 0.000 1.158 332 G CA 0.981 45.974 45.100 -0.177 0.000 0.771 332 G HN 0.472 nan 8.290 nan 0.000 0.545 333 L N -0.236 121.037 121.223 0.083 0.000 2.083 333 L HA -0.031 4.309 4.340 0.001 0.000 0.209 333 L C 3.094 179.948 176.870 -0.027 0.000 1.083 333 L CA 1.013 55.880 54.840 0.045 0.000 0.752 333 L CB -0.262 41.773 42.059 -0.040 0.000 0.899 333 L HN 0.227 nan 8.230 nan 0.000 0.433 334 M N -0.916 118.632 119.600 -0.088 0.000 2.117 334 M HA -0.222 4.259 4.480 0.001 0.000 0.262 334 M C 2.269 178.333 176.300 -0.393 0.000 1.065 334 M CA 1.728 56.889 55.300 -0.233 0.000 1.114 334 M CB -0.339 32.128 32.600 -0.222 0.000 1.361 334 M HN 0.211 nan 8.290 nan 0.000 0.408 335 L N -0.107 120.940 121.223 -0.294 0.000 2.083 335 L HA -0.205 4.135 4.340 0.001 0.000 0.209 335 L C 2.318 179.183 176.870 -0.009 0.000 1.083 335 L CA 1.171 55.888 54.840 -0.205 0.000 0.752 335 L CB -0.489 41.567 42.059 -0.005 0.000 0.899 335 L HN 0.275 nan 8.230 nan 0.000 0.433 336 I N -0.714 119.921 120.570 0.108 0.000 2.179 336 I HA -0.303 3.867 4.170 0.001 0.000 0.242 336 I C 2.461 178.586 176.117 0.014 0.000 1.088 336 I CA 1.630 63.008 61.300 0.130 0.000 1.357 336 I CB -0.428 37.671 38.000 0.165 0.000 1.051 336 I HN 0.268 nan 8.210 nan 0.000 0.409 337 T N 1.222 115.758 114.554 -0.030 0.000 2.746 337 T HA -0.136 4.214 4.350 0.001 0.000 0.267 337 T C 1.942 176.645 174.700 0.006 0.000 1.039 337 T CA 1.217 63.313 62.100 -0.007 0.000 1.142 337 T CB -0.361 68.495 68.868 -0.020 0.000 0.866 337 T HN 0.233 nan 8.240 nan 0.000 0.444 338 L N 0.089 121.217 121.223 -0.158 0.000 2.042 338 L HA -0.110 4.231 4.340 0.001 0.000 0.210 338 L C 2.703 179.517 176.870 -0.093 0.000 1.076 338 L CA 1.411 56.135 54.840 -0.194 0.000 0.749 338 L CB -0.542 41.257 42.059 -0.434 0.000 0.893 338 L HN 0.297 nan 8.230 nan 0.000 0.432 339 M N -0.694 118.856 119.600 -0.084 0.000 2.159 339 M HA -0.203 4.277 4.480 0.001 0.000 0.263 339 M C 2.200 178.453 176.300 -0.079 0.000 1.063 339 M CA 1.644 56.906 55.300 -0.064 0.000 1.110 339 M CB -0.210 32.381 32.600 -0.015 0.000 1.374 339 M HN 0.079 nan 8.290 nan 0.000 0.411 340 K N -0.681 119.655 120.400 -0.106 0.000 2.209 340 K HA -0.123 4.198 4.320 0.001 0.000 0.204 340 K C 0.744 177.136 176.600 -0.347 0.000 1.048 340 K CA 0.811 56.956 56.287 -0.237 0.000 0.940 340 K CB -0.120 32.191 32.500 -0.315 0.000 0.729 340 K HN 0.496 nan 8.250 nan 0.000 0.451 341 H N -0.977 118.075 119.070 -0.030 0.000 2.472 341 H HA 0.250 4.806 4.556 0.001 0.000 0.287 341 H C 0.917 176.246 175.328 0.002 0.000 1.112 341 H CA -0.033 56.013 56.048 -0.003 0.000 1.021 341 H CB 0.655 30.423 29.762 0.009 0.000 1.635 341 H HN 0.141 nan 8.280 nan 0.000 0.559 342 A N 1.071 123.914 122.820 0.038 0.000 2.172 342 A HA -0.148 4.173 4.320 0.001 0.000 0.216 342 A C 2.016 179.627 177.584 0.045 0.000 1.154 342 A CA 1.183 53.228 52.037 0.012 0.000 0.701 342 A CB -0.079 18.899 19.000 -0.036 0.000 0.789 342 A HN 0.433 nan 8.150 nan 0.000 0.465 343 D N -0.804 119.642 120.400 0.078 0.000 2.224 343 D HA -0.132 4.508 4.640 0.001 0.000 0.205 343 D C 1.684 178.114 176.300 0.217 0.000 0.965 343 D CA 0.815 54.885 54.000 0.117 0.000 0.852 343 D CB -0.203 40.660 40.800 0.104 0.000 0.947 343 D HN 0.315 nan 8.370 nan 0.000 0.494 344 R N -0.083 120.554 120.500 0.228 0.000 2.225 344 R HA 0.348 4.688 4.340 0.001 0.000 0.194 344 R C 0.799 177.281 176.300 0.303 0.000 0.949 344 R CA -0.174 56.117 56.100 0.318 0.000 1.088 344 R CB 0.372 30.791 30.300 0.198 0.000 1.106 344 R HN 0.227 nan 8.270 nan 0.000 0.566 345 I N 2.907 123.590 120.570 0.189 0.000 2.363 345 I HA 0.061 4.232 4.170 0.001 0.000 0.292 345 I C 1.048 177.207 176.117 0.069 0.000 1.075 345 I CA 0.164 61.547 61.300 0.138 0.000 1.333 345 I CB 0.744 38.805 38.000 0.101 0.000 1.415 345 I HN -0.231 nan 8.210 nan 0.000 0.502 346 K N 6.118 126.560 120.400 0.070 0.000 2.399 346 K HA 0.440 4.761 4.320 0.001 0.000 0.196 346 K C 0.187 176.736 176.600 -0.085 0.000 1.103 346 K CA 0.483 56.761 56.287 -0.015 0.000 0.986 346 K CB 1.045 33.555 32.500 0.017 0.000 0.952 346 K HN 0.475 nan 8.250 nan 0.000 0.541 347 I N 0.622 121.124 120.570 -0.115 0.000 2.582 347 I HA 0.458 4.629 4.170 0.001 0.000 0.292 347 I C -1.044 175.073 176.117 0.000 0.000 1.066 347 I CA -1.100 60.126 61.300 -0.123 0.000 1.053 347 I CB 2.302 40.136 38.000 -0.277 0.000 1.241 347 I HN -0.175 nan 8.210 nan 0.000 0.421 348 A N 4.316 127.177 122.820 0.068 0.000 2.520 348 A HA 0.791 5.111 4.320 0.001 0.000 0.298 348 A C -1.519 176.269 177.584 0.340 0.000 1.051 348 A CA -0.433 51.747 52.037 0.238 0.000 0.690 348 A CB 1.625 20.716 19.000 0.152 0.000 1.281 348 A HN 0.738 nan 8.150 nan 0.000 0.402 349 C N 2.023 121.572 119.300 0.415 0.000 2.346 349 C HA 0.556 5.017 4.460 0.001 0.000 0.326 349 C C -0.059 174.917 174.990 -0.024 0.000 1.224 349 C CA -0.528 58.635 59.018 0.242 0.000 1.408 349 C CB 0.325 28.137 27.740 0.120 0.000 2.089 349 C HN 0.907 nan 8.230 nan 0.000 0.456 350 L N 3.904 124.982 121.223 -0.241 0.000 2.477 350 L HA 0.489 4.830 4.340 0.001 0.000 0.272 350 L C 0.475 177.101 176.870 -0.406 0.000 1.157 350 L CA 0.570 54.897 54.840 -0.855 0.000 0.889 350 L CB 0.313 41.905 42.059 -0.779 0.000 1.158 350 L HN 0.815 nan 8.230 nan 0.000 0.473 351 A N 6.365 128.994 122.820 -0.318 0.000 2.253 351 A HA 0.631 4.952 4.320 0.001 0.000 0.316 351 A C -0.225 177.269 177.584 -0.150 0.000 1.327 351 A CA -0.478 51.550 52.037 -0.016 0.000 0.917 351 A CB 0.332 19.512 19.000 0.299 0.000 1.162 351 A HN 0.866 nan 8.150 nan 0.000 0.535 352 Q N 0.945 120.584 119.800 -0.269 0.000 3.156 352 Q HA 0.393 4.733 4.340 0.001 0.000 0.301 352 Q C 0.259 176.062 176.000 -0.328 0.000 1.026 352 Q CA -1.028 54.577 55.803 -0.329 0.000 0.827 352 Q CB 0.712 29.130 28.738 -0.534 0.000 1.490 352 Q HN 0.541 nan 8.270 nan 0.000 0.492 353 L N 0.166 121.206 121.223 -0.305 0.000 2.179 353 L HA 0.193 4.534 4.340 0.001 0.000 0.208 353 L C -0.124 176.598 176.870 -0.248 0.000 1.096 353 L CA 1.490 56.177 54.840 -0.255 0.000 0.779 353 L CB 0.595 42.580 42.059 -0.124 0.000 0.922 353 L HN 0.404 nan 8.230 nan 0.000 0.443 354 I N 0.195 120.602 120.570 -0.272 0.000 2.622 354 I HA 0.186 4.356 4.170 0.001 0.000 0.283 354 I C 0.217 176.154 176.117 -0.301 0.000 1.202 354 I CA -0.298 60.848 61.300 -0.258 0.000 1.075 354 I CB 1.118 38.971 38.000 -0.245 0.000 1.274 354 I HN 0.050 nan 8.210 nan 0.000 0.450 355 N N 2.743 121.267 118.700 -0.293 0.000 2.119 355 N HA -0.199 4.542 4.740 0.001 0.000 0.218 355 N C 0.513 175.837 175.510 -0.310 0.000 0.582 355 N CA 1.725 54.601 53.050 -0.291 0.000 3.971 355 N CB -0.678 37.655 38.487 -0.257 0.000 0.769 355 N HN 0.389 nan 8.380 nan 0.000 0.281 356 V N 4.266 123.961 119.914 -0.365 0.000 2.439 356 V HA 0.154 4.275 4.120 0.001 0.000 0.271 356 V C 1.268 177.112 176.094 -0.418 0.000 1.040 356 V CA 0.308 62.342 62.300 -0.443 0.000 1.002 356 V CB -0.402 31.092 31.823 -0.548 0.000 1.000 356 V HN 0.407 nan 8.190 nan 0.000 0.477 357 I N 2.930 123.256 120.570 -0.406 0.000 3.088 357 I HA -0.214 3.956 4.170 0.001 0.000 0.126 357 I C 0.212 176.294 176.117 -0.058 0.000 0.929 357 I CA 0.754 61.912 61.300 -0.235 0.000 2.771 357 I CB -1.261 36.493 38.000 -0.408 0.000 0.874 357 I HN 0.613 nan 8.210 nan 0.000 0.349 358 A N 5.357 128.179 122.820 0.002 0.000 2.413 358 A HA 0.923 5.243 4.320 0.001 0.000 0.307 358 A C -1.744 175.788 177.584 -0.086 0.000 1.087 358 A CA -1.304 50.653 52.037 -0.132 0.000 0.750 358 A CB 1.538 20.394 19.000 -0.239 0.000 1.296 358 A HN 0.336 nan 8.150 nan 0.000 0.423 359 P HA 0.120 nan 4.420 nan 0.000 0.231 359 P C -0.055 177.182 177.300 -0.106 0.000 1.168 359 P CA 0.880 63.886 63.100 -0.157 0.000 0.779 359 P CB 0.168 31.692 31.700 -0.293 0.000 0.844 360 I N 0.098 120.548 120.570 -0.199 0.000 2.389 360 I HA 0.281 4.452 4.170 0.001 0.000 0.288 360 I C -0.568 175.299 176.117 -0.416 0.000 0.999 360 I CA -1.003 60.143 61.300 -0.257 0.000 1.129 360 I CB 2.666 40.588 38.000 -0.129 0.000 1.288 360 I HN -0.382 nan 8.210 nan 0.000 0.444 361 V N 4.290 123.790 119.914 -0.691 0.000 2.531 361 V HA 0.450 4.571 4.120 0.001 0.000 0.301 361 V C 0.100 175.848 176.094 -0.577 0.000 1.034 361 V CA -0.600 61.252 62.300 -0.746 0.000 0.865 361 V CB 2.194 33.306 31.823 -1.185 0.000 0.995 361 V HN 0.833 nan 8.190 nan 0.000 0.424 362 T N 0.274 114.668 114.554 -0.266 0.000 2.875 362 T HA 0.449 4.799 4.350 0.001 0.000 0.284 362 T C 0.717 175.423 174.700 0.011 0.000 0.995 362 T CA -0.556 61.492 62.100 -0.087 0.000 1.060 362 T CB 2.154 70.981 68.868 -0.067 0.000 0.967 362 T HN 0.495 nan 8.240 nan 0.000 0.476 363 E N 1.422 121.694 120.200 0.121 0.000 2.002 363 E HA -0.004 4.346 4.350 0.001 0.000 0.205 363 E C 0.588 177.222 176.600 0.057 0.000 1.020 363 E CA 1.216 57.703 56.400 0.145 0.000 0.856 363 E CB 0.025 29.796 29.700 0.119 0.000 0.788 363 E HN 0.633 nan 8.360 nan 0.000 0.477 364 R N -0.840 119.675 120.500 0.025 0.000 3.791 364 R HA -0.033 4.307 4.340 0.001 0.000 0.261 364 R C -1.422 174.877 176.300 -0.002 0.000 0.979 364 R CA -0.070 56.031 56.100 0.003 0.000 1.020 364 R CB -0.081 30.220 30.300 0.003 0.000 1.256 364 R HN 0.263 nan 8.270 nan 0.000 0.563 365 N N 0.433 119.129 118.700 -0.008 0.000 2.942 365 N HA -0.226 4.514 4.740 0.001 0.000 0.284 365 N C 0.435 175.939 175.510 -0.010 0.000 1.019 365 N CA 1.441 54.486 53.050 -0.010 0.000 0.879 365 N CB -0.468 38.013 38.487 -0.010 0.000 0.917 365 N HN 0.749 nan 8.380 nan 0.000 0.606 366 G N -2.084 106.711 108.800 -0.008 0.000 3.324 366 G HA2 0.698 4.658 3.960 0.001 0.000 0.188 366 G HA3 0.698 4.658 3.960 0.001 0.000 0.188 366 G C 0.366 175.263 174.900 -0.004 0.000 1.384 366 G CA -0.030 45.068 45.100 -0.003 0.000 0.841 366 G HN 0.514 nan 8.290 nan 0.000 0.758 367 G N -1.222 107.583 108.800 0.008 0.000 2.710 367 G HA2 0.575 4.535 3.960 0.001 0.000 0.198 367 G HA3 0.575 4.535 3.960 0.001 0.000 0.198 367 G C 0.561 175.490 174.900 0.049 0.000 1.797 367 G CA 1.484 46.600 45.100 0.026 0.000 0.759 367 G HN 1.559 nan 8.290 nan 0.000 0.808 368 A N -1.887 120.986 122.820 0.088 0.000 1.546 368 A HA 0.805 5.125 4.320 0.001 0.000 0.212 368 A C 0.687 178.332 177.584 0.102 0.000 1.754 368 A CA 1.661 53.750 52.037 0.087 0.000 1.318 368 A CB -0.281 18.773 19.000 0.090 0.000 1.228 368 A HN 2.545 nan 8.150 nan 0.000 0.426 369 A N -1.682 121.254 122.820 0.194 0.000 2.435 369 A HA 0.384 4.704 4.320 0.001 0.000 0.686 369 A C -0.456 177.245 177.584 0.195 0.000 0.138 369 A CA 0.297 52.391 52.037 0.095 0.000 0.024 369 A CB -1.568 17.425 19.000 -0.012 0.000 3.974 369 A HN 2.391 nan 8.150 nan 0.000 0.548 370 W N 0.369 121.612 121.300 -0.096 0.000 3.338 370 W HA 0.619 5.280 4.660 0.001 0.000 0.299 370 W C -1.066 175.351 176.519 -0.169 0.000 1.226 370 W CA -0.962 56.306 57.345 -0.129 0.000 1.183 370 W CB 0.375 29.780 29.460 -0.091 0.000 1.360 370 W HN 1.073 nan 8.180 nan 0.000 0.569 371 R N 2.300 122.775 120.500 -0.041 0.000 2.368 371 R HA 0.332 4.672 4.340 0.001 0.000 0.302 371 R C 0.517 176.829 176.300 0.020 0.000 1.002 371 R CA -0.765 55.145 56.100 -0.316 0.000 0.929 371 R CB 2.028 31.789 30.300 -0.897 0.000 1.073 371 R HN 0.340 nan 8.270 nan 0.000 0.464 372 Q N 0.416 120.187 119.800 -0.049 0.000 2.316 372 Q HA 0.043 4.383 4.340 0.001 0.000 0.215 372 Q C 1.344 177.455 176.000 0.184 0.000 1.020 372 Q CA 0.156 56.058 55.803 0.165 0.000 0.970 372 Q CB 0.976 29.803 28.738 0.148 0.000 1.187 372 Q HN 0.758 nan 8.270 nan 0.000 0.546 373 T N -2.225 112.490 114.554 0.269 0.000 2.759 373 T HA -0.173 4.178 4.350 0.001 0.000 0.269 373 T C 1.794 176.590 174.700 0.161 0.000 1.042 373 T CA 1.832 64.097 62.100 0.274 0.000 1.140 373 T CB -0.525 68.530 68.868 0.312 0.000 0.864 373 T HN 0.679 nan 8.240 nan 0.000 0.455 374 I N -2.053 118.532 120.570 0.025 0.000 3.001 374 I HA 0.188 4.359 4.170 0.001 0.000 0.268 374 I C 2.142 178.188 176.117 -0.118 0.000 1.267 374 I CA 0.384 61.607 61.300 -0.129 0.000 1.472 374 I CB -0.835 36.925 38.000 -0.401 0.000 1.089 374 I HN 0.064 nan 8.210 nan 0.000 0.468 375 F N 1.875 121.666 119.950 -0.265 0.000 2.095 375 F HA -0.237 4.291 4.527 0.001 0.000 0.298 375 F C 2.048 177.648 175.800 -0.334 0.000 1.104 375 F CA 1.803 59.575 58.000 -0.380 0.000 1.232 375 F CB -0.401 38.255 39.000 -0.573 0.000 0.987 375 F HN 0.005 nan 8.300 nan 0.000 0.475 376 Y N -0.031 120.360 120.300 0.153 0.000 2.220 376 Y HA 0.005 4.555 4.550 0.001 0.000 0.291 376 Y C -0.492 175.170 175.900 -0.397 0.000 1.129 376 Y CA 0.751 58.807 58.100 -0.075 0.000 1.161 376 Y CB -2.393 36.071 38.460 0.008 0.000 0.997 376 Y HN 0.106 nan 8.280 nan 0.000 0.522 377 P HA -0.199 nan 4.420 nan 0.000 0.216 377 P C 1.552 178.572 177.300 -0.467 0.000 1.150 377 P CA 1.476 64.014 63.100 -0.936 0.000 0.837 377 P CB -0.222 30.826 31.700 -1.088 0.000 0.786 378 F N -0.497 119.237 119.950 -0.360 0.000 2.102 378 F HA -0.143 4.384 4.527 0.001 0.000 0.298 378 F C 2.393 178.040 175.800 -0.255 0.000 1.105 378 F CA 1.505 59.373 58.000 -0.221 0.000 1.239 378 F CB -0.700 38.143 39.000 -0.261 0.000 0.991 378 F HN -0.228 nan 8.300 nan 0.000 0.474 379 M N -0.546 119.007 119.600 -0.078 0.000 2.108 379 M HA -0.281 4.199 4.480 0.001 0.000 0.261 379 M C 2.352 178.592 176.300 -0.101 0.000 1.066 379 M CA 1.868 57.084 55.300 -0.140 0.000 1.107 379 M CB -0.649 31.870 32.600 -0.135 0.000 1.356 379 M HN 0.217 nan 8.290 nan 0.000 0.406 380 H N -0.149 118.953 119.070 0.052 0.000 2.321 380 H HA -0.033 4.523 4.556 0.001 0.000 0.300 380 H C 2.149 177.495 175.328 0.029 0.000 1.087 380 H CA 1.788 57.918 56.048 0.137 0.000 1.319 380 H CB -0.853 29.137 29.762 0.381 0.000 1.379 380 H HN 0.517 nan 8.280 nan 0.000 0.501 381 A N 0.144 123.002 122.820 0.063 0.000 1.877 381 A HA -0.187 4.134 4.320 0.001 0.000 0.216 381 A C 2.760 180.047 177.584 -0.496 0.000 1.186 381 A CA 2.054 54.152 52.037 0.103 0.000 0.620 381 A CB -0.838 18.230 19.000 0.113 0.000 0.822 381 A HN 0.411 nan 8.150 nan 0.000 0.443 382 S N -0.945 114.250 115.700 -0.841 0.000 2.383 382 S HA -0.151 4.319 4.470 0.001 0.000 0.227 382 S C 2.081 176.333 174.600 -0.581 0.000 1.026 382 S CA 1.830 59.344 58.200 -1.144 0.000 0.981 382 S CB -0.253 62.615 63.200 -0.552 0.000 0.818 382 S HN 0.604 nan 8.310 nan 0.000 0.472 383 K N -1.006 119.157 120.400 -0.395 0.000 2.044 383 K HA 0.003 4.324 4.320 0.001 0.000 0.204 383 K C 1.099 177.497 176.600 -0.338 0.000 1.049 383 K CA 1.192 57.225 56.287 -0.424 0.000 0.945 383 K CB -0.141 31.963 32.500 -0.662 0.000 0.724 383 K HN 0.470 nan 8.250 nan 0.000 0.440 384 Y N -0.935 119.438 120.300 0.121 0.000 2.458 384 Y HA 0.277 4.827 4.550 0.001 0.000 0.256 384 Y C 1.397 177.406 175.900 0.181 0.000 1.159 384 Y CA -0.002 58.213 58.100 0.191 0.000 1.261 384 Y CB 0.717 39.355 38.460 0.297 0.000 1.119 384 Y HN 0.072 nan 8.280 nan 0.000 0.524 385 G N 0.982 109.932 108.800 0.250 0.000 3.678 385 G HA2 0.145 4.106 3.960 0.001 0.000 0.287 385 G HA3 0.145 4.106 3.960 0.001 0.000 0.287 385 G C 0.171 175.186 174.900 0.192 0.000 1.280 385 G CA -0.420 44.790 45.100 0.184 0.000 1.118 385 G HN -0.104 nan 8.290 nan 0.000 0.563 386 R N 0.629 121.200 120.500 0.119 0.000 2.265 386 R HA 0.700 5.041 4.340 0.001 0.000 0.328 386 R C 0.402 176.742 176.300 0.067 0.000 0.969 386 R CA 0.248 56.416 56.100 0.114 0.000 0.832 386 R CB 1.362 31.712 30.300 0.082 0.000 1.139 386 R HN 0.377 nan 8.270 nan 0.000 0.457 387 G N 2.382 111.214 108.800 0.053 0.000 2.384 387 G HA2 0.030 3.990 3.960 0.001 0.000 0.113 387 G HA3 0.030 3.990 3.960 0.001 0.000 0.113 387 G C -1.310 173.596 174.900 0.010 0.000 1.224 387 G CA -0.869 44.246 45.100 0.025 0.000 1.126 387 G HN 0.360 nan 8.290 nan 0.000 0.461 388 I N 1.439 122.006 120.570 -0.005 0.000 2.389 388 I HA 0.463 4.633 4.170 0.001 0.000 0.288 388 I C 0.198 176.298 176.117 -0.029 0.000 0.999 388 I CA -1.030 60.264 61.300 -0.010 0.000 1.129 388 I CB 1.976 39.976 38.000 -0.001 0.000 1.288 388 I HN 0.284 nan 8.210 nan 0.000 0.444 389 V N 6.932 126.825 119.914 -0.035 0.000 2.572 389 V HA 0.124 4.244 4.120 0.001 0.000 0.291 389 V C 0.155 176.224 176.094 -0.041 0.000 1.039 389 V CA -0.263 62.002 62.300 -0.058 0.000 1.055 389 V CB 0.745 32.530 31.823 -0.063 0.000 0.969 389 V HN 0.338 nan 8.190 nan 0.000 0.482 390 L N 3.808 124.996 121.223 -0.057 0.000 2.334 390 L HA 0.412 4.753 4.340 0.001 0.000 0.275 390 L C 0.360 177.178 176.870 -0.087 0.000 1.036 390 L CA -0.243 54.575 54.840 -0.037 0.000 0.807 390 L CB 1.218 43.259 42.059 -0.030 0.000 1.231 390 L HN 0.564 nan 8.230 nan 0.000 0.438 391 Q N 4.354 124.083 119.800 -0.117 0.000 2.239 391 Q HA 0.064 4.404 4.340 0.001 0.000 0.286 391 Q C -1.996 173.853 176.000 -0.251 0.000 1.102 391 Q CA -1.011 54.644 55.803 -0.248 0.000 0.936 391 Q CB 0.520 28.941 28.738 -0.529 0.000 1.127 391 Q HN 0.250 nan 8.270 nan 0.000 0.380 392 P HA 0.086 nan 4.420 nan 0.000 0.244 392 P C -0.303 176.902 177.300 -0.158 0.000 1.769 392 P CA -0.009 63.001 63.100 -0.151 0.000 1.102 392 P CB -0.455 31.175 31.700 -0.117 0.000 1.937 393 V N 4.658 124.456 119.914 -0.193 0.000 2.479 393 V HA 0.265 4.385 4.120 0.001 0.000 0.281 393 V C 0.264 176.301 176.094 -0.096 0.000 1.031 393 V CA 0.041 62.244 62.300 -0.162 0.000 1.038 393 V CB -0.048 nan 31.823 nan 0.000 0.981 393 V HN 0.419 nan 8.190 nan 0.000 0.478 394 I N 4.034 124.561 120.570 -0.071 0.000 2.722 394 I HA 0.514 4.684 4.170 0.001 0.000 0.292 394 I C -1.149 174.949 176.117 -0.032 0.000 1.267 394 I CA -0.778 60.492 61.300 -0.048 0.000 1.036 394 I CB 2.166 40.136 38.000 -0.049 0.000 1.281 394 I HN 0.756 nan 8.210 nan 0.000 0.423 395 N N 4.253 122.940 118.700 -0.021 0.000 2.577 395 N HA 0.365 5.105 4.740 0.001 0.000 0.275 395 N C -1.647 173.862 175.510 -0.003 0.000 1.091 395 N CA -0.222 52.822 53.050 -0.011 0.000 0.843 395 N CB 1.477 39.959 38.487 -0.008 0.000 1.295 395 N HN 0.491 nan 8.380 nan 0.000 0.530 396 S N 3.051 118.753 115.700 0.003 0.000 2.532 396 S HA 0.667 5.138 4.470 0.001 0.000 0.301 396 S C -2.616 171.999 174.600 0.025 0.000 1.083 396 S CA -1.482 56.727 58.200 0.015 0.000 1.025 396 S CB 0.914 64.125 63.200 0.018 0.000 1.056 396 S HN 0.267 nan 8.310 nan 0.000 0.494 397 P HA 0.198 nan 4.420 nan 0.000 0.268 397 P C -0.900 176.444 177.300 0.074 0.000 1.208 397 P CA -0.059 63.073 63.100 0.052 0.000 0.777 397 P CB 0.292 32.029 31.700 0.061 0.000 0.875 398 L N 2.676 123.939 121.223 0.067 0.000 2.313 398 L HA 0.618 4.959 4.340 0.001 0.000 0.268 398 L C 0.480 177.424 176.870 0.122 0.000 1.010 398 L CA -0.823 54.046 54.840 0.049 0.000 0.814 398 L CB 1.444 43.502 42.059 -0.002 0.000 1.304 398 L HN 0.611 nan 8.230 nan 0.000 0.441 399 H N -1.455 117.635 119.070 0.034 0.000 2.996 399 H HA 0.451 5.007 4.556 0.001 0.000 0.368 399 H C -1.927 173.431 175.328 0.050 0.000 1.185 399 H CA -0.889 55.186 56.048 0.045 0.000 1.160 399 H CB 2.078 31.875 29.762 0.058 0.000 1.820 399 H HN 0.413 nan 8.280 nan 0.000 0.547 400 D N 2.040 122.512 120.400 0.120 0.000 2.175 400 D HA 0.302 4.942 4.640 0.001 0.000 0.248 400 D C 0.639 177.050 176.300 0.185 0.000 1.047 400 D CA 0.071 54.122 54.000 0.085 0.000 0.883 400 D CB 2.200 43.042 40.800 0.072 0.000 1.180 400 D HN 0.727 nan 8.370 nan 0.000 0.438 401 T N -2.762 111.889 114.554 0.162 0.000 2.870 401 T HA 0.334 4.685 4.350 0.001 0.000 0.277 401 T C 1.408 176.188 174.700 0.134 0.000 1.000 401 T CA -0.320 61.893 62.100 0.189 0.000 0.982 401 T CB 0.907 69.907 68.868 0.221 0.000 1.249 401 T HN 0.186 nan 8.240 nan 0.000 0.589 402 S N 0.118 115.891 115.700 0.123 0.000 2.399 402 S HA -0.066 4.404 4.470 0.001 0.000 0.231 402 S C 1.331 175.956 174.600 0.041 0.000 1.022 402 S CA 0.772 59.018 58.200 0.077 0.000 0.983 402 S CB -0.563 62.681 63.200 0.072 0.000 0.803 402 S HN 0.761 nan 8.310 nan 0.000 0.480 403 K N -0.208 120.215 120.400 0.037 0.000 2.483 403 K HA 0.318 4.639 4.320 0.001 0.000 0.206 403 K C -0.836 175.560 176.600 -0.340 0.000 1.086 403 K CA -0.134 56.082 56.287 -0.120 0.000 1.052 403 K CB 0.697 33.107 32.500 -0.149 0.000 0.904 403 K HN 0.455 nan 8.250 nan 0.000 0.557 404 H N -0.015 119.060 119.070 0.009 0.000 2.821 404 H HA 0.327 4.883 4.556 0.001 0.000 0.373 404 H C -0.774 174.542 175.328 -0.020 0.000 1.165 404 H CA -0.785 55.257 56.048 -0.011 0.000 1.154 404 H CB 1.661 31.405 29.762 -0.030 0.000 1.765 404 H HN -0.142 nan 8.280 nan 0.000 0.549 405 E N 1.166 121.422 120.200 0.093 0.000 2.256 405 E HA 0.174 4.524 4.350 0.001 0.000 0.267 405 E C -0.615 175.982 176.600 -0.005 0.000 0.892 405 E CA -0.668 55.751 56.400 0.031 0.000 0.775 405 E CB 1.636 31.349 29.700 0.021 0.000 1.207 405 E HN 0.656 nan 8.360 nan 0.000 0.420 406 D N 0.283 120.662 120.400 -0.036 0.000 2.686 406 D HA -0.139 4.502 4.640 0.001 0.000 0.235 406 D C -0.353 175.877 176.300 -0.116 0.000 1.160 406 D CA 0.597 54.562 54.000 -0.059 0.000 0.645 406 D CB -1.524 39.263 40.800 -0.022 0.000 1.039 406 D HN 0.065 nan 8.370 nan 0.000 0.423 407 V N 1.032 120.793 119.914 -0.256 0.000 2.488 407 V HA 0.190 4.310 4.120 0.001 0.000 0.277 407 V C 1.451 177.345 176.094 -0.333 0.000 1.046 407 V CA -0.291 61.799 62.300 -0.350 0.000 0.986 407 V CB 1.229 32.727 31.823 -0.542 0.000 0.989 407 V HN 0.395 nan 8.190 nan 0.000 0.475 408 T N 0.667 115.141 114.554 -0.133 0.000 2.902 408 T HA 0.049 4.399 4.350 0.001 0.000 0.301 408 T C 0.659 175.401 174.700 0.069 0.000 1.012 408 T CA -0.415 61.668 62.100 -0.027 0.000 1.151 408 T CB 0.666 69.526 68.868 -0.013 0.000 0.946 408 T HN 0.634 nan 8.240 nan 0.000 0.542 409 D N 1.334 121.825 120.400 0.153 0.000 2.117 409 D HA 0.062 4.702 4.640 0.001 0.000 0.198 409 D C 0.477 176.839 176.300 0.104 0.000 0.982 409 D CA 0.850 54.969 54.000 0.199 0.000 0.828 409 D CB -0.129 40.763 40.800 0.153 0.000 0.967 409 D HN 0.522 nan 8.370 nan 0.000 0.464 410 I N 0.556 121.164 120.570 0.063 0.000 2.353 410 I HA 0.188 4.358 4.170 0.001 0.000 0.293 410 I C -0.456 175.676 176.117 0.024 0.000 0.992 410 I CA -0.500 60.822 61.300 0.038 0.000 1.268 410 I CB 1.600 39.613 38.000 0.022 0.000 1.387 410 I HN -0.274 nan 8.210 nan 0.000 0.478 411 E N 4.528 124.742 120.200 0.025 0.000 2.185 411 E HA 0.633 4.984 4.350 0.001 0.000 0.261 411 E C -1.372 175.239 176.600 0.019 0.000 0.879 411 E CA -0.231 56.179 56.400 0.016 0.000 0.756 411 E CB 1.288 31.000 29.700 0.021 0.000 1.152 411 E HN 0.420 nan 8.360 nan 0.000 0.416 412 S N 2.865 118.565 115.700 0.000 0.000 2.546 412 S HA 0.806 5.276 4.470 0.001 0.000 0.274 412 S C -1.590 172.992 174.600 -0.030 0.000 1.121 412 S CA -0.534 57.661 58.200 -0.008 0.000 0.887 412 S CB 1.017 64.204 63.200 -0.021 0.000 1.094 412 S HN 0.396 nan 8.310 nan 0.000 0.474 413 V N 0.906 120.796 119.914 -0.041 0.000 2.888 413 V HA 0.969 5.090 4.120 0.001 0.000 0.309 413 V C -0.295 175.703 176.094 -0.161 0.000 1.114 413 V CA -1.005 61.237 62.300 -0.098 0.000 0.940 413 V CB 1.130 32.890 31.823 -0.105 0.000 1.021 413 V HN 1.126 nan 8.190 nan 0.000 0.426 414 A N 4.371 127.097 122.820 -0.157 0.000 2.318 414 A HA 0.977 5.297 4.320 0.001 0.000 0.324 414 A C -0.502 176.971 177.584 -0.185 0.000 1.170 414 A CA -0.543 51.389 52.037 -0.175 0.000 0.810 414 A CB 1.047 19.982 19.000 -0.109 0.000 1.198 414 A HN 1.635 nan 8.150 nan 0.000 0.484 415 I N -1.288 119.141 120.570 -0.235 0.000 0.000 415 I HA 1.040 5.210 4.170 0.001 0.000 0.000 415 I C -0.266 175.789 176.117 -0.103 0.000 0.000 415 I CA -0.734 60.467 61.300 -0.165 0.000 0.000 415 I CB 1.552 39.438 38.000 -0.190 0.000 0.000 415 I HN 1.281 nan 8.210 nan 0.000 0.000 416 Y N -0.159 nan 120.300 nan 0.000 0.000 416 Y HA 0.452 5.002 4.550 0.001 0.000 0.000 416 Y C -1.753 174.140 175.900 -0.011 0.000 0.000 416 Y CA -1.027 nan 58.100 nan 0.000 0.000 416 Y CB -0.017 nan 38.460 nan 0.000 0.000 416 Y HN 0.916 nan 8.280 nan 0.000 0.000 417 N N 1.736 120.436 118.700 -0.000 0.000 2.420 417 N HA 0.459 5.199 4.740 0.001 0.000 0.249 417 N C 0.409 175.928 175.510 0.014 0.000 1.033 417 N CA 0.770 53.830 53.050 0.016 0.000 0.944 417 N CB 1.627 40.134 38.487 0.034 0.000 1.113 417 N HN 1.239 nan 8.380 nan 0.000 0.502 418 E N 2.043 122.251 120.200 0.013 0.000 2.481 418 E HA 0.096 4.447 4.350 0.001 0.000 0.198 418 E C 0.980 177.587 176.600 0.012 0.000 1.027 418 E CA 0.768 57.174 56.400 0.010 0.000 0.900 418 E CB -0.441 29.264 29.700 0.008 0.000 0.993 418 E HN 0.789 nan 8.360 nan 0.000 0.482 419 E N 0.067 120.277 120.200 0.016 0.000 2.693 419 E HA 0.360 4.710 4.350 0.001 0.000 0.214 419 E C 1.213 177.825 176.600 0.020 0.000 0.990 419 E CA 0.226 56.636 56.400 0.017 0.000 1.047 419 E CB -0.014 nan 29.700 nan 0.000 1.039 419 E HN 0.290 nan 8.360 nan 0.000 0.475 420 K N -1.396 119.017 120.400 0.021 0.000 2.608 420 K HA 0.264 4.584 4.320 0.001 0.000 0.214 420 K C 0.610 177.223 176.600 0.022 0.000 1.469 420 K CA 0.726 57.028 56.287 0.026 0.000 1.012 420 K CB 1.397 33.920 32.500 0.038 0.000 1.211 420 K HN 0.390 nan 8.250 nan 0.000 0.627 421 E N 1.941 122.150 120.200 0.016 0.000 2.183 421 E HA -0.247 4.103 4.350 0.001 0.000 0.196 421 E C -0.656 175.949 176.600 0.010 0.000 1.364 421 E CA 1.731 58.138 56.400 0.011 0.000 0.700 421 E CB -2.188 27.517 29.700 0.008 0.000 1.106 421 E HN 0.504 nan 8.360 nan 0.000 0.347 422 E N -1.369 118.838 120.200 0.012 0.000 2.266 422 E HA 0.706 5.056 4.350 0.001 0.000 0.268 422 E C -0.668 175.930 176.600 -0.003 0.000 0.879 422 E CA -1.016 55.389 56.400 0.008 0.000 0.762 422 E CB 2.568 32.284 29.700 0.026 0.000 1.199 422 E HN 0.261 nan 8.360 nan 0.000 0.422 423 V N 1.952 121.856 119.914 -0.018 0.000 2.495 423 V HA 0.431 4.552 4.120 0.001 0.000 0.298 423 V C -0.500 175.565 176.094 -0.050 0.000 1.031 423 V CA -0.578 61.701 62.300 -0.036 0.000 0.871 423 V CB 2.040 33.842 31.823 -0.036 0.000 0.988 423 V HN 0.711 nan 8.190 nan 0.000 0.432 424 T N 5.777 120.284 114.554 -0.078 0.000 2.809 424 T HA 0.635 4.986 4.350 0.001 0.000 0.284 424 T C -0.415 174.191 174.700 -0.156 0.000 0.992 424 T CA -0.176 61.876 62.100 -0.081 0.000 0.957 424 T CB 1.153 70.019 68.868 -0.004 0.000 0.942 424 T HN 0.374 nan 8.240 nan 0.000 0.439 425 I N 4.015 124.550 120.570 -0.059 0.000 2.312 425 I HA 0.376 4.547 4.170 0.001 0.000 0.290 425 I C -0.721 175.465 176.117 0.115 0.000 1.008 425 I CA -0.734 60.535 61.300 -0.051 0.000 1.226 425 I CB 0.714 38.690 38.000 -0.040 0.000 1.371 425 I HN 0.439 nan 8.210 nan 0.000 0.468 426 F N 5.364 125.191 119.950 -0.205 0.000 2.410 426 F HA 0.735 5.263 4.527 0.001 0.000 0.349 426 F C 0.517 176.141 175.800 -0.293 0.000 1.117 426 F CA -1.346 56.435 58.000 -0.364 0.000 1.104 426 F CB 1.191 40.035 39.000 -0.261 0.000 1.122 426 F HN 0.409 nan 8.300 nan 0.000 0.483 427 A N 2.779 125.475 122.820 -0.206 0.000 2.572 427 A HA 0.877 5.197 4.320 0.001 0.000 0.295 427 A C -1.682 175.844 177.584 -0.097 0.000 1.072 427 A CA -0.666 51.311 52.037 -0.100 0.000 0.691 427 A CB 1.889 20.857 19.000 -0.052 0.000 1.291 427 A HN 0.469 nan 8.150 nan 0.000 0.404 428 V N 1.061 120.983 119.914 0.014 0.000 2.971 428 V HA 0.586 4.706 4.120 0.001 0.000 0.309 428 V C -0.548 175.583 176.094 0.063 0.000 1.130 428 V CA -0.423 61.923 62.300 0.077 0.000 0.964 428 V CB 2.410 34.322 31.823 0.149 0.000 1.029 428 V HN 1.016 nan 8.190 nan 0.000 0.427 429 N N 2.133 120.876 118.700 0.071 0.000 2.547 429 N HA 0.202 4.942 4.740 0.001 0.000 0.285 429 N C 0.897 176.434 175.510 0.045 0.000 1.600 429 N CA -0.281 52.804 53.050 0.058 0.000 0.872 429 N CB 0.048 38.568 38.487 0.055 0.000 1.412 429 N HN 0.597 nan 8.380 nan 0.000 0.489 430 R N -0.626 119.898 120.500 0.040 0.000 3.968 430 R HA -0.293 4.047 4.340 0.001 0.000 0.322 430 R C -0.832 175.444 176.300 -0.040 0.000 1.279 430 R CA 2.221 58.340 56.100 0.031 0.000 1.074 430 R CB -1.153 29.196 30.300 0.081 0.000 1.459 430 R HN 0.716 nan 8.270 nan 0.000 0.575 431 N N -1.710 116.956 118.700 -0.058 0.000 2.774 431 N HA 0.388 5.128 4.740 0.001 0.000 0.264 431 N C 0.572 176.067 175.510 -0.024 0.000 1.415 431 N CA -0.257 52.731 53.050 -0.104 0.000 0.815 431 N CB 1.049 39.434 38.487 -0.170 0.000 1.514 431 N HN -0.077 nan 8.380 nan 0.000 0.523 432 I N -2.212 118.338 120.570 -0.033 0.000 2.925 432 I HA -0.226 3.945 4.170 0.001 0.000 0.304 432 I C -0.467 175.459 176.117 -0.319 0.000 0.466 432 I CA 0.746 61.960 61.300 -0.143 0.000 0.845 432 I CB -1.012 36.863 38.000 -0.208 0.000 4.021 432 I HN 0.844 nan 8.210 nan 0.000 1.088 433 H N 0.187 119.255 119.070 -0.003 0.000 3.329 433 H HA 0.356 4.912 4.556 0.001 0.000 0.234 433 H C -0.081 175.249 175.328 0.003 0.000 0.957 433 H CA 0.172 56.220 56.048 -0.001 0.000 1.066 433 H CB 1.177 30.926 29.762 -0.020 0.000 1.435 433 H HN 0.179 nan 8.280 nan 0.000 0.513 434 E N 1.775 122.046 120.200 0.118 0.000 2.281 434 E HA 0.126 4.476 4.350 0.001 0.000 0.266 434 E C -1.503 175.124 176.600 0.046 0.000 0.893 434 E CA -0.662 55.781 56.400 0.071 0.000 0.798 434 E CB 2.170 31.907 29.700 0.062 0.000 1.245 434 E HN 0.185 nan 8.360 nan 0.000 0.410 435 D N 3.415 123.838 120.400 0.038 0.000 2.414 435 D HA 0.202 4.842 4.640 0.001 0.000 0.242 435 D C 0.290 176.604 176.300 0.023 0.000 1.129 435 D CA 0.423 54.441 54.000 0.029 0.000 0.885 435 D CB 0.832 41.645 40.800 0.021 0.000 1.198 435 D HN 0.375 nan 8.370 nan 0.000 0.437 436 I N -2.105 118.477 120.570 0.020 0.000 2.730 436 I HA 0.426 4.596 4.170 0.001 0.000 0.298 436 I C -0.539 175.580 176.117 0.004 0.000 1.089 436 I CA -1.382 59.927 61.300 0.014 0.000 1.041 436 I CB 2.120 40.133 38.000 0.021 0.000 1.235 436 I HN 0.033 nan 8.210 nan 0.000 0.423 437 V N 6.203 126.115 119.914 -0.003 0.000 2.406 437 V HA 0.395 4.515 4.120 0.001 0.000 0.272 437 V C -0.587 175.499 176.094 -0.013 0.000 1.043 437 V CA -0.429 61.862 62.300 -0.016 0.000 0.915 437 V CB 1.311 33.121 31.823 -0.020 0.000 0.988 437 V HN 0.637 nan 8.190 nan 0.000 0.466 438 L N 8.710 129.921 121.223 -0.019 0.000 2.259 438 L HA 0.496 4.836 4.340 0.001 0.000 0.288 438 L C -0.048 176.808 176.870 -0.024 0.000 1.051 438 L CA -0.054 54.776 54.840 -0.017 0.000 0.824 438 L CB 1.370 43.422 42.059 -0.012 0.000 1.206 438 L HN 0.659 nan 8.230 nan 0.000 0.429 439 V N 2.284 122.186 119.914 -0.020 0.000 2.356 439 V HA 0.453 4.573 4.120 0.001 0.000 0.258 439 V C 0.396 176.477 176.094 -0.021 0.000 1.065 439 V CA -0.271 62.016 62.300 -0.021 0.000 0.935 439 V CB 0.144 31.957 31.823 -0.017 0.000 1.061 439 V HN 0.793 nan 8.190 nan 0.000 0.484 440 S N 3.906 119.592 115.700 -0.024 0.000 2.404 440 S HA 0.219 4.689 4.470 0.001 0.000 0.309 440 S C 0.036 174.624 174.600 -0.020 0.000 1.076 440 S CA -0.237 57.949 58.200 -0.023 0.000 1.095 440 S CB 0.532 63.716 63.200 -0.026 0.000 0.972 440 S HN 0.919 nan 8.310 nan 0.000 0.484 441 D N 3.792 124.182 120.400 -0.017 0.000 2.470 441 D HA 0.042 4.682 4.640 0.001 0.000 0.226 441 D C -0.250 176.045 176.300 -0.009 0.000 1.196 441 D CA -0.173 53.821 54.000 -0.011 0.000 0.979 441 D CB 0.305 41.101 40.800 -0.007 0.000 1.059 441 D HN 0.209 nan 8.370 nan 0.000 0.515 442 V N 4.168 124.076 119.914 -0.010 0.000 2.446 442 V HA 0.389 4.509 4.120 0.001 0.000 0.276 442 V C 1.306 177.400 176.094 -0.001 0.000 1.030 442 V CA 0.615 62.910 62.300 -0.008 0.000 1.033 442 V CB 0.670 32.485 31.823 -0.013 0.000 0.993 442 V HN 0.632 nan 8.190 nan 0.000 0.477 443 R N 4.395 124.898 120.500 0.006 0.000 2.508 443 R HA 0.606 4.946 4.340 0.001 0.000 0.300 443 R C 1.023 177.329 176.300 0.010 0.000 0.970 443 R CA 1.105 57.212 56.100 0.011 0.000 1.102 443 R CB -0.078 30.235 30.300 0.021 0.000 1.246 443 R HN 2.120 nan 8.270 nan 0.000 0.539 450 L N 4.249 125.462 121.223 -0.016 0.000 2.667 450 L HA -0.027 4.313 4.340 0.001 0.000 0.278 450 L C 0.266 177.126 176.870 -0.017 0.000 1.217 450 L CA 0.778 55.606 54.840 -0.019 0.000 0.935 450 L CB 0.534 42.580 42.059 -0.021 0.000 1.193 450 L HN 0.862 nan 8.230 nan 0.000 0.493 451 L N 4.083 125.292 121.223 -0.023 0.000 2.221 451 L HA 0.257 4.597 4.340 0.001 0.000 0.202 451 L C 0.571 177.425 176.870 -0.028 0.000 1.074 451 L CA 0.830 55.656 54.840 -0.023 0.000 0.795 451 L CB 0.092 42.133 42.059 -0.029 0.000 0.960 451 L HN 0.946 nan 8.230 nan 0.000 0.458 452 E N -2.585 117.591 120.200 -0.041 0.000 2.417 452 E HA 0.124 4.474 4.350 0.001 0.000 0.280 452 E C -1.348 175.242 176.600 -0.017 0.000 1.112 452 E CA -0.831 55.550 56.400 -0.031 0.000 0.863 452 E CB 0.790 30.457 29.700 -0.054 0.000 1.346 452 E HN 0.039 nan 8.360 nan 0.000 0.443 453 H N 1.036 120.040 119.070 -0.110 0.000 2.953 453 H HA 0.459 5.015 4.556 0.001 0.000 0.290 453 H C -1.235 174.014 175.328 -0.133 0.000 1.113 453 H CA -0.420 55.551 56.048 -0.128 0.000 1.454 453 H CB 0.445 30.149 29.762 -0.097 0.000 1.525 453 H HN 0.464 nan 8.280 nan 0.000 0.505 454 I N 4.967 125.262 120.570 -0.458 0.000 2.474 454 I HA 0.259 4.429 4.170 0.001 0.000 0.287 454 I C -0.246 175.583 176.117 -0.480 0.000 1.048 454 I CA -0.668 60.403 61.300 -0.381 0.000 1.383 454 I CB 1.330 39.096 38.000 -0.391 0.000 1.412 454 I HN 0.307 nan 8.210 nan 0.000 0.531 455 V N 7.447 127.225 119.914 -0.226 0.000 2.914 455 V HA 0.577 4.698 4.120 0.001 0.000 0.314 455 V C -1.314 174.824 176.094 0.073 0.000 1.084 455 V CA -0.710 61.522 62.300 -0.114 0.000 0.963 455 V CB 2.547 34.348 31.823 -0.037 0.000 1.025 455 V HN 0.517 nan 8.190 nan 0.000 0.432 456 L N 5.786 127.141 121.223 0.221 0.000 2.471 456 L HA 0.634 4.975 4.340 0.001 0.000 0.263 456 L C -0.478 176.641 176.870 0.415 0.000 0.985 456 L CA 0.201 55.246 54.840 0.342 0.000 0.868 456 L CB 1.311 43.716 42.059 0.576 0.000 1.203 456 L HN 0.849 nan 8.230 nan 0.000 0.429 457 E N 2.322 122.594 120.200 0.120 0.000 2.433 457 E HA 0.619 4.970 4.350 0.001 0.000 0.273 457 E C -1.503 174.710 176.600 -0.646 0.000 0.950 457 E CA -0.991 55.335 56.400 -0.123 0.000 0.796 457 E CB 2.792 32.476 29.700 -0.027 0.000 1.330 457 E HN 0.531 nan 8.360 nan 0.000 0.455 458 H N -1.754 116.715 119.070 -1.001 0.000 3.037 458 H HA 0.319 4.875 4.556 0.001 0.000 0.336 458 H C 0.219 175.343 175.328 -0.340 0.000 1.323 458 H CA 0.638 56.274 56.048 -0.686 0.000 1.159 458 H CB 1.874 31.134 29.762 -0.837 0.000 1.882 458 H HN 0.576 nan 8.280 nan 0.000 0.535 459 Q N 1.317 120.963 119.800 -0.256 0.000 2.389 459 Q HA 0.081 4.422 4.340 0.001 0.000 0.204 459 Q C 0.114 176.180 176.000 0.111 0.000 0.944 459 Q CA 1.558 57.328 55.803 -0.056 0.000 0.908 459 Q CB 0.175 nan 28.738 nan 0.000 1.002 459 Q HN 0.558 nan 8.270 nan 0.000 0.493 460 D N -1.126 119.454 120.400 0.301 0.000 2.462 460 D HA 0.388 5.028 4.640 0.001 0.000 0.245 460 D C 0.575 177.016 176.300 0.234 0.000 1.122 460 D CA -0.564 53.583 54.000 0.246 0.000 0.864 460 D CB 0.829 41.764 40.800 0.225 0.000 1.098 460 D HN 0.204 nan 8.370 nan 0.000 0.541 461 L N 2.685 124.070 121.223 0.271 0.000 2.265 461 L HA -0.055 4.286 4.340 0.001 0.000 0.215 461 L C 1.960 179.005 176.870 0.292 0.000 1.117 461 L CA 0.790 55.863 54.840 0.389 0.000 0.782 461 L CB -0.129 42.098 42.059 0.280 0.000 0.914 461 L HN 0.257 nan 8.230 nan 0.000 0.441 462 K N -0.282 120.226 120.400 0.179 0.000 2.404 462 K HA 0.180 4.500 4.320 0.001 0.000 0.194 462 K C 0.663 177.306 176.600 0.071 0.000 1.023 462 K CA -0.124 56.237 56.287 0.124 0.000 1.094 462 K CB 0.333 32.881 32.500 0.081 0.000 0.841 462 K HN 0.104 nan 8.250 nan 0.000 0.523 463 I N 2.244 122.832 120.570 0.030 0.000 2.754 463 I HA -0.042 4.128 4.170 0.001 0.000 0.285 463 I C 0.446 176.550 176.117 -0.022 0.000 1.166 463 I CA 0.420 61.664 61.300 -0.093 0.000 1.417 463 I CB 0.270 38.006 38.000 -0.440 0.000 1.382 463 I HN 0.091 nan 8.210 nan 0.000 0.588 464 R N 4.516 125.002 120.500 -0.024 0.000 2.912 464 R HA 0.453 4.794 4.340 0.001 0.000 0.262 464 R C -0.732 175.592 176.300 0.040 0.000 1.057 464 R CA -0.992 55.136 56.100 0.047 0.000 0.981 464 R CB 1.291 31.604 30.300 0.022 0.000 1.201 464 R HN 0.518 nan 8.270 nan 0.000 0.484 465 N N -0.103 118.673 118.700 0.127 0.000 2.482 465 N HA 0.420 5.161 4.740 0.001 0.000 0.279 465 N C -0.610 174.755 175.510 -0.241 0.000 1.182 465 N CA -0.366 52.731 53.050 0.078 0.000 0.969 465 N CB 1.760 40.431 38.487 0.306 0.000 1.201 465 N HN 0.685 nan 8.380 nan 0.000 0.523 466 S N -2.135 113.181 115.700 -0.639 0.000 2.790 466 S HA 0.257 4.728 4.470 0.001 0.000 0.292 466 S C 0.490 174.175 174.600 -1.526 0.000 1.197 466 S CA -0.680 56.713 58.200 -1.345 0.000 0.851 466 S CB 0.583 63.384 63.200 -0.665 0.000 1.217 466 S HN 0.129 nan 8.310 nan 0.000 0.526 467 V N 1.458 120.527 119.914 -1.409 0.000 2.720 467 V HA 0.036 4.157 4.120 0.001 0.000 0.256 467 V C 0.092 175.948 176.094 -0.397 0.000 1.082 467 V CA 1.510 63.291 62.300 -0.864 0.000 1.101 467 V CB -1.101 30.439 31.823 -0.472 0.000 0.693 467 V HN 0.748 nan 8.190 nan 0.000 0.479 468 N N 1.518 120.001 118.700 -0.361 0.000 2.955 468 N HA 0.409 5.149 4.740 0.001 0.000 0.242 468 N C 0.354 175.750 175.510 -0.191 0.000 1.123 468 N CA 0.533 53.454 53.050 -0.215 0.000 0.949 468 N CB 0.927 39.313 38.487 -0.169 0.000 1.214 468 N HN 0.388 nan 8.380 nan 0.000 0.504 469 G N 1.574 110.281 108.800 -0.155 0.000 3.051 469 G HA2 -0.221 3.740 3.960 0.001 0.000 0.686 469 G HA3 -0.221 3.740 3.960 0.001 0.000 0.686 469 G C -0.243 174.605 174.900 -0.086 0.000 1.461 469 G CA 0.258 45.302 45.100 -0.093 0.000 1.129 469 G HN 0.870 nan 8.290 nan 0.000 0.601 470 E N -0.509 119.708 120.200 0.027 0.000 3.994 470 E HA -0.080 4.271 4.350 0.001 0.000 0.187 470 E C 0.381 177.108 176.600 0.212 0.000 1.293 470 E CA 1.523 58.002 56.400 0.131 0.000 0.951 470 E CB -1.150 28.578 29.700 0.046 0.000 1.073 470 E HN 1.087 nan 8.360 nan 0.000 0.401 471 E N 0.722 121.110 120.200 0.313 0.000 2.489 471 E HA 0.216 4.567 4.350 0.001 0.000 0.208 471 E C -0.448 176.341 176.600 0.314 0.000 0.814 471 E CA 0.739 57.328 56.400 0.314 0.000 1.348 471 E CB 0.971 30.745 29.700 0.122 0.000 1.334 471 E HN 0.154 nan 8.360 nan 0.000 0.672 472 V N 3.406 123.473 119.914 0.256 0.000 2.488 472 V HA 0.366 4.486 4.120 0.001 0.000 0.277 472 V C -0.702 175.645 176.094 0.422 0.000 1.046 472 V CA -0.061 62.396 62.300 0.262 0.000 0.986 472 V CB -0.122 31.909 31.823 0.346 0.000 0.989 472 V HN 0.291 nan 8.190 nan 0.000 0.475 473 Y N 4.057 124.406 120.300 0.083 0.000 2.604 473 Y HA 0.663 5.214 4.550 0.001 0.000 0.331 473 Y C -3.086 172.674 175.900 -0.234 0.000 1.158 473 Y CA -3.378 54.587 58.100 -0.225 0.000 1.056 473 Y CB 1.182 39.559 38.460 -0.138 0.000 1.330 473 Y HN 0.402 nan 8.280 nan 0.000 0.457 474 P HA 0.132 nan 4.420 nan 0.000 0.270 474 P C -1.104 176.172 177.300 -0.040 0.000 1.242 474 P CA 0.065 63.127 63.100 -0.063 0.000 0.768 474 P CB 0.820 32.582 31.700 0.104 0.000 0.820 475 K N 3.133 123.474 120.400 -0.099 0.000 2.227 475 K HA 0.187 4.507 4.320 0.001 0.000 0.280 475 K C 0.343 176.929 176.600 -0.023 0.000 1.041 475 K CA -0.496 55.748 56.287 -0.071 0.000 0.905 475 K CB 0.512 32.933 32.500 -0.133 0.000 1.068 475 K HN 0.240 nan 8.250 nan 0.000 0.470 476 N N 1.999 120.704 118.700 0.008 0.000 2.918 476 N HA 0.089 4.829 4.740 0.001 0.000 0.247 476 N C -1.243 174.276 175.510 0.014 0.000 1.117 476 N CA 0.101 53.154 53.050 0.005 0.000 1.005 476 N CB 0.389 38.892 38.487 0.027 0.000 1.297 476 N HN 0.387 nan 8.380 nan 0.000 0.513 477 S N 1.283 116.999 115.700 0.027 0.000 2.874 477 S HA 0.706 5.177 4.470 0.001 0.000 0.318 477 S C -1.133 173.518 174.600 0.085 0.000 1.109 477 S CA -0.592 57.636 58.200 0.047 0.000 0.878 477 S CB 1.021 64.243 63.200 0.038 0.000 1.307 477 S HN 0.604 nan 8.310 nan 0.000 0.592 478 D N -0.074 120.351 120.400 0.041 0.000 6.144 478 D HA 0.273 4.914 4.640 0.001 0.000 0.308 478 D C -0.556 175.714 176.300 -0.049 0.000 2.402 478 D CA 1.261 55.255 54.000 -0.010 0.000 1.542 478 D CB -0.908 39.877 40.800 -0.025 0.000 1.077 478 D HN 1.139 nan 8.370 nan 0.000 1.194 479 K N -1.584 118.758 120.400 -0.096 0.000 2.549 479 K HA 0.538 4.859 4.320 0.001 0.000 0.246 479 K C -0.008 176.452 176.600 -0.233 0.000 1.194 479 K CA 1.499 57.705 56.287 -0.134 0.000 0.598 479 K CB -1.634 30.803 32.500 -0.105 0.000 2.123 479 K HN 2.154 nan 8.250 nan 0.000 0.534 480 S N -1.396 114.194 115.700 -0.183 0.000 3.177 480 S HA 0.526 4.996 4.470 0.001 0.000 0.206 480 S C -0.416 174.107 174.600 -0.128 0.000 0.496 480 S CA 0.978 59.060 58.200 -0.196 0.000 0.766 480 S CB -0.803 62.172 63.200 -0.374 0.000 0.886 480 S HN 2.463 nan 8.310 nan 0.000 0.687 487 L N 2.554 123.763 121.223 -0.025 0.000 2.505 487 L HA 0.620 4.960 4.340 0.001 0.000 0.266 487 L C -0.751 176.097 176.870 -0.038 0.000 0.954 487 L CA 0.152 54.973 54.840 -0.032 0.000 0.852 487 L CB 2.053 44.093 42.059 -0.031 0.000 1.282 487 L HN 0.699 nan 8.230 nan 0.000 0.403 488 T N 0.319 114.844 114.554 -0.048 0.000 2.786 488 T HA 0.775 5.125 4.350 0.001 0.000 0.283 488 T C -0.431 174.220 174.700 -0.083 0.000 0.992 488 T CA -0.582 61.486 62.100 -0.053 0.000 0.954 488 T CB 1.361 70.201 68.868 -0.046 0.000 0.934 488 T HN 0.515 nan 8.240 nan 0.000 0.440 489 S N 3.945 119.595 115.700 -0.083 0.000 2.774 489 S HA 0.383 4.853 4.470 0.001 0.000 0.297 489 S C 0.054 174.596 174.600 -0.097 0.000 1.143 489 S CA -0.833 57.288 58.200 -0.131 0.000 1.090 489 S CB 0.764 63.892 63.200 -0.119 0.000 1.019 489 S HN 0.774 nan 8.310 nan 0.000 0.482 490 M N 4.109 123.642 119.600 -0.112 0.000 2.303 490 M HA 0.189 4.670 4.480 0.001 0.000 0.350 490 M C -0.873 175.397 176.300 -0.050 0.000 1.518 490 M CA 0.605 55.863 55.300 -0.070 0.000 1.070 490 M CB -0.205 32.356 32.600 -0.066 0.000 1.910 490 M HN 0.418 nan 8.290 nan 0.000 0.458 491 L N 2.541 123.762 121.223 -0.003 0.000 2.349 491 L HA 0.470 4.810 4.340 0.001 0.000 0.278 491 L C 0.173 177.070 176.870 0.045 0.000 0.996 491 L CA -0.865 53.998 54.840 0.038 0.000 0.825 491 L CB 1.478 43.562 42.059 0.042 0.000 1.243 491 L HN 0.552 nan 8.230 nan 0.000 0.412 492 R N 1.963 122.501 120.500 0.064 0.000 2.694 492 R HA 0.191 4.531 4.340 0.001 0.000 0.268 492 R C 0.234 176.579 176.300 0.076 0.000 1.061 492 R CA -0.459 55.678 56.100 0.062 0.000 1.133 492 R CB 0.402 30.742 30.300 0.066 0.000 1.020 492 R HN 0.755 nan 8.270 nan 0.000 0.475 493 R N 2.693 123.232 120.500 0.065 0.000 2.413 493 R HA 0.432 4.772 4.340 0.001 0.000 0.333 493 R C 0.160 176.516 176.300 0.093 0.000 1.074 493 R CA 0.648 56.784 56.100 0.061 0.000 0.982 493 R CB -0.309 30.020 30.300 0.048 0.000 0.981 493 R HN 1.022 nan 8.270 nan 0.000 0.452 494 A N 2.103 124.981 122.820 0.098 0.000 1.554 494 A HA -0.063 4.258 4.320 0.001 0.000 0.210 494 A C 0.163 177.910 177.584 0.273 0.000 1.250 494 A CA 0.612 52.743 52.037 0.156 0.000 0.617 494 A CB -1.652 17.448 19.000 0.167 0.000 1.224 494 A HN 1.382 nan 8.150 nan 0.000 0.190 495 S N 2.774 118.616 115.700 0.237 0.000 2.588 495 S HA 0.746 5.217 4.470 0.001 0.000 0.269 495 S C -0.606 174.161 174.600 0.279 0.000 1.157 495 S CA -0.104 58.295 58.200 0.331 0.000 0.824 495 S CB 1.322 64.681 63.200 0.266 0.000 1.126 495 S HN 2.073 nan 8.310 nan 0.000 0.464 496 W N 2.693 124.067 121.300 0.123 0.000 2.335 496 W HA 0.576 5.237 4.660 0.001 0.000 0.307 496 W C -1.851 174.665 176.519 -0.004 0.000 1.117 496 W CA -0.385 56.992 57.345 0.053 0.000 1.228 496 W CB 0.913 30.419 29.460 0.076 0.000 1.240 496 W HN 0.774 nan 8.180 nan 0.000 0.468 497 N N 4.120 122.420 118.700 -0.666 0.000 2.314 497 N HA 0.406 5.146 4.740 0.001 0.000 0.294 497 N C -1.325 173.649 175.510 -0.892 0.000 1.029 497 N CA -0.574 52.085 53.050 -0.652 0.000 0.845 497 N CB 2.375 40.701 38.487 -0.268 0.000 1.321 497 N HN 0.125 nan 8.380 nan 0.000 0.481 498 V N 3.248 122.673 119.914 -0.816 0.000 2.325 498 V HA 0.452 4.572 4.120 0.001 0.000 0.280 498 V C -0.340 175.495 176.094 -0.433 0.000 1.016 498 V CA -0.601 61.339 62.300 -0.600 0.000 0.818 498 V CB 0.314 31.738 31.823 -0.664 0.000 1.019 498 V HN 0.552 nan 8.190 nan 0.000 0.434 499 I N 5.120 125.571 120.570 -0.198 0.000 2.339 499 I HA 0.580 4.750 4.170 0.001 0.000 0.290 499 I C 0.166 176.239 176.117 -0.074 0.000 0.994 499 I CA -0.512 60.755 61.300 -0.055 0.000 1.191 499 I CB 1.258 39.311 38.000 0.088 0.000 1.343 499 I HN 0.416 nan 8.210 nan 0.000 0.458 500 R N 6.866 127.309 120.500 -0.095 0.000 2.480 500 R HA 0.742 5.082 4.340 0.001 0.000 0.306 500 R C -1.083 175.180 176.300 -0.060 0.000 0.958 500 R CA -0.693 55.342 56.100 -0.108 0.000 0.861 500 R CB 2.324 32.505 30.300 -0.199 0.000 1.171 500 R HN 0.559 nan 8.270 nan 0.000 0.445 501 I N 0.943 121.486 120.570 -0.045 0.000 2.646 501 I HA 0.714 4.885 4.170 0.001 0.000 0.299 501 I C 0.449 176.553 176.117 -0.021 0.000 1.036 501 I CA -0.771 60.512 61.300 -0.029 0.000 1.074 501 I CB 2.406 40.391 38.000 -0.024 0.000 1.258 501 I HN 0.713 nan 8.210 nan 0.000 0.430 502 G N 0.000 108.792 108.800 -0.014 0.000 5.446 502 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 502 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 502 G CA 0.000 45.097 45.100 -0.006 0.000 0.502 502 G HN 0.000 nan 8.290 nan 0.000 0.925