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 2dkd_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSIEQTLSQY LPSHPKPQGV TFTYGTAGFR MKADKLDYVT FTVGIIASLR DATA SEQUENCE SKYLQGKTVG VMITASHNPP EDNGVKVVDP LGSMLESSWE KYATDLANAS DATA SEQUENCE PSPXXXXXXX XNSLVEVIKN LVSDLKIDLS IPANVVIARD SRESSPALSM DATA SEQUENCE ATIDGFQSVP NTKYQDFGLF TTPELHYVTR TLNDPDFGKP TEDGYYSKLA DATA SEQUENCE KSFQEIYTIC ESNNEKIDIT IDAANGVGAP KIQELLEKYL HKEISFTVVN DATA SEQUENCE GDYKQPNLLN FDCGADYVKT NQKLPKNVKP VNNKLYASFD GDADRLICYY DATA SEQUENCE QNNDNKFKLL DGDKLSTLFA LFLQQLFKQI DPTKISLNIG VVQTAYANGS DATA SEQUENCE STKYVEDVLK IPVRCTPTGV KHLHHEAENF DIGVYFEANG HGTVIFNPEA DATA SEQUENCE EKKIFDYKPN NDNEAKAIKV LQNFSQLINQ TVGDAISDLL AVLIVVHYLK DATA SEQUENCE LSPSDWDNEY TDLPNKLVKV IVPDRSIFKT TNAERTLVEP KGMQDEIDKL DATA SEQUENCE VAQYPNGRSF VRASGTEDAV RVYAEADTQN NVEELSKAVS ELVK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.326 176.300 0.044 0.000 1.140 1 M CA 0.000 55.325 55.300 0.043 0.000 0.988 1 M CB 0.000 32.633 32.600 0.055 0.000 1.302 2 S N 1.069 116.793 115.700 0.040 0.000 2.608 2 S HA 0.695 4.402 4.470 -1.270 0.000 0.261 2 S C 1.201 175.831 174.600 0.049 0.000 1.314 2 S CA 0.246 58.469 58.200 0.039 0.000 0.992 2 S CB 0.898 64.118 63.200 0.032 0.000 0.935 2 S HN 1.912 nan 8.310 nan 0.000 0.564 3 I N 1.126 121.724 120.570 0.046 0.000 2.226 3 I HA -0.105 3.303 4.170 -1.270 0.000 0.245 3 I C 2.093 178.249 176.117 0.066 0.000 1.100 3 I CA 1.763 63.095 61.300 0.053 0.000 1.374 3 I CB -0.838 37.186 38.000 0.040 0.000 1.057 3 I HN 0.803 nan 8.210 nan 0.000 0.413 4 E N 0.423 120.656 120.200 0.055 0.000 2.038 4 E HA -0.275 3.313 4.350 -1.270 0.000 0.195 4 E C 2.218 178.859 176.600 0.068 0.000 1.000 4 E CA 1.850 58.285 56.400 0.059 0.000 0.803 4 E CB -0.464 29.262 29.700 0.043 0.000 0.750 4 E HN 0.608 nan 8.360 nan 0.000 0.448 5 Q N -0.212 119.623 119.800 0.058 0.000 2.030 5 Q HA -0.179 3.399 4.340 -1.270 0.000 0.204 5 Q C 2.417 178.466 176.000 0.081 0.000 0.986 5 Q CA 2.217 58.054 55.803 0.056 0.000 0.843 5 Q CB -0.512 28.253 28.738 0.045 0.000 0.904 5 Q HN 0.522 nan 8.270 nan 0.000 0.420 6 T N -0.082 114.537 114.554 0.108 0.000 2.708 6 T HA -0.169 3.419 4.350 -1.270 0.000 0.266 6 T C 1.831 176.681 174.700 0.249 0.000 1.037 6 T CA 1.141 63.345 62.100 0.172 0.000 1.146 6 T CB -0.433 68.532 68.868 0.162 0.000 0.865 6 T HN 0.143 nan 8.240 nan 0.000 0.435 7 L N 2.603 123.949 121.223 0.205 0.000 2.017 7 L HA -0.052 3.525 4.340 -1.270 0.000 0.208 7 L C 2.774 179.793 176.870 0.248 0.000 1.073 7 L CA 2.324 57.321 54.840 0.261 0.000 0.745 7 L CB -1.034 41.139 42.059 0.189 0.000 0.894 7 L HN 0.555 nan 8.230 nan 0.000 0.432 8 S N -1.459 114.327 115.700 0.142 0.000 2.440 8 S HA -0.312 3.396 4.470 -1.270 0.000 0.238 8 S C 1.943 176.555 174.600 0.020 0.000 1.010 8 S CA 1.395 59.643 58.200 0.079 0.000 0.972 8 S CB -0.761 62.465 63.200 0.044 0.000 0.774 8 S HN 0.736 nan 8.310 nan 0.000 0.501 9 Q N -0.653 119.138 119.800 -0.014 0.000 2.311 9 Q HA -0.013 3.565 4.340 -1.270 0.000 0.203 9 Q C 0.803 176.521 176.000 -0.469 0.000 0.954 9 Q CA 1.084 56.728 55.803 -0.266 0.000 0.885 9 Q CB 0.001 28.504 28.738 -0.391 0.000 0.963 9 Q HN 0.850 nan 8.270 nan 0.000 0.471 10 Y N -2.004 118.356 120.300 0.101 0.000 2.512 10 Y HA 0.056 3.843 4.550 -1.270 0.000 0.268 10 Y C 1.447 177.332 175.900 -0.024 0.000 1.102 10 Y CA -0.338 57.818 58.100 0.094 0.000 1.261 10 Y CB 0.097 38.725 38.460 0.280 0.000 1.250 10 Y HN 0.031 nan 8.280 nan 0.000 0.506 11 L N 2.658 123.992 121.223 0.185 0.000 2.034 11 L HA -0.173 3.405 4.340 -1.270 0.000 0.217 11 L C -0.546 176.278 176.870 -0.077 0.000 1.077 11 L CA 2.221 57.095 54.840 0.056 0.000 0.769 11 L CB -1.382 40.772 42.059 0.158 0.000 0.890 11 L HN 0.027 nan 8.230 nan 0.000 0.435 12 P HA -0.114 nan 4.420 nan 0.000 0.218 12 P C 1.426 178.606 177.300 -0.201 0.000 1.149 12 P CA 1.460 64.494 63.100 -0.110 0.000 0.817 12 P CB -0.088 31.559 31.700 -0.088 0.000 0.785 13 S N -1.166 114.343 115.700 -0.318 0.000 2.603 13 S HA -0.040 3.667 4.470 -1.270 0.000 0.229 13 S C 0.599 174.660 174.600 -0.899 0.000 0.972 13 S CA 0.466 58.336 58.200 -0.551 0.000 0.935 13 S CB -0.664 62.171 63.200 -0.608 0.000 0.769 13 S HN 0.362 nan 8.310 nan 0.000 0.536 14 H N 1.134 120.054 119.070 -0.249 0.000 2.488 14 H HA 0.278 4.072 4.556 -1.270 0.000 0.237 14 H C -2.855 172.418 175.328 -0.092 0.000 1.395 14 H CA -1.954 53.955 56.048 -0.232 0.000 1.491 14 H CB 0.301 29.734 29.762 -0.548 0.000 1.567 14 H HN 0.242 nan 8.280 nan 0.000 0.508 15 P HA 0.102 nan 4.420 nan 0.000 0.272 15 P C 0.092 177.357 177.300 -0.058 0.000 1.223 15 P CA -0.344 62.725 63.100 -0.051 0.000 0.784 15 P CB 1.947 33.614 31.700 -0.056 0.000 0.923 16 K N 2.853 123.120 120.400 -0.221 0.000 2.138 16 K HA 0.389 3.946 4.320 -1.270 0.000 0.263 16 K C -1.974 174.570 176.600 -0.094 0.000 0.965 16 K CA -2.019 54.092 56.287 -0.293 0.000 0.868 16 K CB 0.548 32.562 32.500 -0.810 0.000 1.083 16 K HN 0.373 nan 8.250 nan 0.000 0.443 17 P HA 0.097 nan 4.420 nan 0.000 0.275 17 P C -0.760 176.555 177.300 0.026 0.000 1.227 17 P CA -0.127 63.005 63.100 0.053 0.000 0.781 17 P CB 1.087 32.863 31.700 0.128 0.000 0.906 18 Q N 0.905 120.702 119.800 -0.005 0.000 2.382 18 Q HA 0.456 4.034 4.340 -1.270 0.000 0.229 18 Q C 1.389 177.366 176.000 -0.038 0.000 1.006 18 Q CA -0.029 55.759 55.803 -0.025 0.000 0.916 18 Q CB -0.584 28.139 28.738 -0.026 0.000 1.235 18 Q HN 0.943 nan 8.270 nan 0.000 0.512 19 G N -1.253 107.516 108.800 -0.052 0.000 2.212 19 G HA2 -0.122 3.076 3.960 -1.270 0.000 0.267 19 G HA3 -0.122 3.076 3.960 -1.270 0.000 0.267 19 G C 0.143 174.974 174.900 -0.115 0.000 1.002 19 G CA 0.677 45.737 45.100 -0.067 0.000 0.729 19 G HN 1.483 nan 8.290 nan 0.000 0.517 20 V N 0.004 119.805 119.914 -0.189 0.000 2.495 20 V HA 0.676 4.033 4.120 -1.270 0.000 0.298 20 V C 0.281 176.012 176.094 -0.606 0.000 1.031 20 V CA -0.457 61.619 62.300 -0.373 0.000 0.871 20 V CB 2.086 33.647 31.823 -0.438 0.000 0.988 20 V HN 0.212 nan 8.190 nan 0.000 0.432 21 T N 5.377 119.629 114.554 -0.502 0.000 2.758 21 T HA 0.656 4.244 4.350 -1.270 0.000 0.285 21 T C -0.502 173.957 174.700 -0.401 0.000 0.981 21 T CA 0.006 61.880 62.100 -0.378 0.000 0.965 21 T CB 0.327 69.117 68.868 -0.130 0.000 0.927 21 T HN 0.311 nan 8.240 nan 0.000 0.448 22 F N 1.299 121.329 119.950 0.134 0.000 2.408 22 F HA 0.658 4.422 4.527 -1.271 0.000 0.325 22 F C 1.037 177.019 175.800 0.303 0.000 1.082 22 F CA -0.815 57.316 58.000 0.218 0.000 1.032 22 F CB 1.533 40.638 39.000 0.175 0.000 1.259 22 F HN 0.295 nan 8.300 nan 0.000 0.503 23 T N 0.579 115.481 114.554 0.581 0.000 3.293 23 T HA 0.128 3.716 4.350 -1.270 0.000 0.320 23 T C -1.715 173.043 174.700 0.096 0.000 0.995 23 T CA -0.610 61.688 62.100 0.331 0.000 1.041 23 T CB 0.394 69.367 68.868 0.176 0.000 1.058 23 T HN 0.463 nan 8.240 nan 0.000 0.453 24 Y N 3.000 123.117 120.300 -0.305 0.000 2.486 24 Y HA 0.542 4.330 4.550 -1.270 0.000 0.348 24 Y C 0.690 176.416 175.900 -0.290 0.000 1.000 24 Y CA 0.616 58.288 58.100 -0.714 0.000 1.253 24 Y CB 0.130 38.095 38.460 -0.826 0.000 1.140 24 Y HN 0.854 nan 8.280 nan 0.000 0.526 25 G N 2.008 110.645 108.800 -0.273 0.000 3.366 25 G HA2 0.004 3.202 3.960 -1.270 0.000 0.179 25 G HA3 0.004 3.202 3.960 -1.270 0.000 0.179 25 G C 0.636 175.475 174.900 -0.102 0.000 1.143 25 G CA 0.153 45.206 45.100 -0.079 0.000 0.810 25 G HN 0.359 nan 8.290 nan 0.000 0.697 26 T N 1.175 115.698 114.554 -0.052 0.000 2.760 26 T HA 0.068 3.655 4.350 -1.270 0.000 0.269 26 T C 1.335 175.995 174.700 -0.066 0.000 1.047 26 T CA 2.017 64.103 62.100 -0.023 0.000 1.139 26 T CB -0.177 68.698 68.868 0.012 0.000 0.855 26 T HN 0.960 nan 8.240 nan 0.000 0.471 27 A N 0.018 122.750 122.820 -0.148 0.000 3.045 27 A HA 0.658 4.216 4.320 -1.270 0.000 0.244 27 A C 1.010 178.384 177.584 -0.349 0.000 0.917 27 A CA 0.146 52.083 52.037 -0.167 0.000 1.075 27 A CB -0.375 18.575 19.000 -0.083 0.000 1.202 27 A HN 0.629 nan 8.150 nan 0.000 0.486 28 G N 0.278 108.634 108.800 -0.740 0.000 2.582 28 G HA2 -0.250 2.947 3.960 -1.270 0.000 0.288 28 G HA3 -0.250 2.947 3.960 -1.270 0.000 0.288 28 G C -0.145 174.170 174.900 -0.975 0.000 1.247 28 G CA 0.498 44.644 45.100 -1.590 0.000 0.972 28 G HN 0.755 nan 8.290 nan 0.000 0.557 29 F N 1.081 120.768 119.950 -0.437 0.000 2.411 29 F HA 0.685 4.450 4.527 -1.270 0.000 0.350 29 F C 1.020 176.753 175.800 -0.112 0.000 1.114 29 F CA -0.093 57.806 58.000 -0.167 0.000 1.135 29 F CB 1.651 40.597 39.000 -0.091 0.000 1.120 29 F HN 0.542 nan 8.300 nan 0.000 0.495 30 R N 6.188 126.764 120.500 0.128 0.000 2.512 30 R HA 0.648 4.226 4.340 -1.270 0.000 0.291 30 R C -1.114 175.241 176.300 0.091 0.000 1.097 30 R CA -0.446 55.693 56.100 0.066 0.000 0.940 30 R CB 1.302 31.605 30.300 0.005 0.000 1.198 30 R HN 0.914 nan 8.270 nan 0.000 0.429 31 M N 0.395 120.043 119.600 0.080 0.000 3.767 31 M HA 0.483 4.201 4.480 -1.270 0.000 0.327 31 M C -1.395 174.941 176.300 0.058 0.000 1.529 31 M CA -1.284 54.068 55.300 0.087 0.000 0.871 31 M CB 0.910 33.601 32.600 0.151 0.000 2.008 31 M HN 0.059 nan 8.290 nan 0.000 0.485 32 K N 1.377 121.815 120.400 0.062 0.000 2.416 32 K HA 0.345 3.903 4.320 -1.270 0.000 0.283 32 K C 0.974 177.600 176.600 0.043 0.000 1.037 32 K CA 0.726 57.040 56.287 0.044 0.000 0.995 32 K CB 1.266 33.793 32.500 0.044 0.000 0.938 32 K HN 0.801 nan 8.250 nan 0.000 0.475 33 A N 3.573 126.411 122.820 0.030 0.000 1.958 33 A HA -0.250 3.308 4.320 -1.270 0.000 0.221 33 A C 1.320 178.920 177.584 0.026 0.000 1.178 33 A CA 2.316 54.367 52.037 0.024 0.000 0.642 33 A CB -0.540 18.472 19.000 0.020 0.000 0.816 33 A HN 0.830 nan 8.150 nan 0.000 0.453 34 D N -1.264 119.154 120.400 0.031 0.000 2.392 34 D HA -0.035 3.843 4.640 -1.270 0.000 0.228 34 D C 0.925 177.255 176.300 0.051 0.000 1.003 34 D CA 0.959 54.980 54.000 0.034 0.000 0.917 34 D CB -0.165 40.652 40.800 0.029 0.000 0.890 34 D HN 0.508 nan 8.370 nan 0.000 0.532 35 K N -0.623 119.816 120.400 0.065 0.000 2.592 35 K HA 0.218 3.776 4.320 -1.270 0.000 0.203 35 K C 0.323 176.960 176.600 0.062 0.000 1.070 35 K CA -0.161 56.192 56.287 0.109 0.000 1.062 35 K CB 0.762 33.365 32.500 0.171 0.000 0.814 35 K HN 0.003 nan 8.250 nan 0.000 0.502 36 L N 0.211 121.432 121.223 -0.004 0.000 2.731 36 L HA 0.183 3.761 4.340 -1.270 0.000 0.240 36 L C 1.265 178.066 176.870 -0.115 0.000 1.120 36 L CA 0.834 55.614 54.840 -0.101 0.000 0.913 36 L CB 0.506 42.530 42.059 -0.059 0.000 1.213 36 L HN 0.049 nan 8.230 nan 0.000 0.515 37 D N -1.153 119.228 120.400 -0.032 0.000 2.092 37 D HA -0.334 3.543 4.640 -1.270 0.000 0.193 37 D C 2.020 178.301 176.300 -0.031 0.000 0.994 37 D CA 1.906 55.902 54.000 -0.007 0.000 0.828 37 D CB -0.112 40.737 40.800 0.082 0.000 0.963 37 D HN 0.425 nan 8.370 nan 0.000 0.450 38 Y N 0.347 120.589 120.300 -0.097 0.000 2.200 38 Y HA -0.113 3.674 4.550 -1.271 0.000 0.290 38 Y C 2.008 177.814 175.900 -0.157 0.000 1.137 38 Y CA 1.172 59.228 58.100 -0.073 0.000 1.163 38 Y CB -0.490 37.941 38.460 -0.048 0.000 0.988 38 Y HN -0.069 nan 8.280 nan 0.000 0.518 39 V N -0.560 119.062 119.914 -0.486 0.000 2.233 39 V HA -0.356 3.002 4.120 -1.270 0.000 0.247 39 V C 2.470 178.200 176.094 -0.607 0.000 1.050 39 V CA 2.562 64.373 62.300 -0.816 0.000 1.010 39 V CB -1.332 29.828 31.823 -1.104 0.000 0.637 39 V HN 0.523 nan 8.190 nan 0.000 0.444 40 T N -0.744 113.576 114.554 -0.390 0.000 2.881 40 T HA -0.199 3.389 4.350 -1.270 0.000 0.270 40 T C 1.617 176.132 174.700 -0.308 0.000 1.068 40 T CA 1.646 63.589 62.100 -0.263 0.000 1.131 40 T CB -0.377 68.385 68.868 -0.176 0.000 0.871 40 T HN 0.473 nan 8.240 nan 0.000 0.479 41 F N 2.431 122.070 119.950 -0.518 0.000 2.075 41 F HA -0.118 3.646 4.527 -1.271 0.000 0.297 41 F C 2.634 178.150 175.800 -0.473 0.000 1.113 41 F CA 2.272 59.925 58.000 -0.580 0.000 1.218 41 F CB -1.150 37.438 39.000 -0.687 0.000 0.984 41 F HN 0.282 nan 8.300 nan 0.000 0.472 42 T N -1.876 112.263 114.554 -0.693 0.000 2.881 42 T HA -0.124 3.464 4.350 -1.270 0.000 0.270 42 T C 2.013 176.495 174.700 -0.364 0.000 1.068 42 T CA 1.404 63.134 62.100 -0.618 0.000 1.131 42 T CB -1.297 67.268 68.868 -0.505 0.000 0.871 42 T HN 0.154 nan 8.240 nan 0.000 0.479 43 V N 1.825 121.582 119.914 -0.261 0.000 2.515 43 V HA 0.023 3.380 4.120 -1.270 0.000 0.250 43 V C 3.047 179.078 176.094 -0.105 0.000 1.058 43 V CA 1.627 63.891 62.300 -0.060 0.000 1.064 43 V CB -1.393 30.466 31.823 0.061 0.000 0.675 43 V HN 0.694 nan 8.190 nan 0.000 0.461 44 G N -0.179 108.438 108.800 -0.305 0.000 2.422 44 G HA2 -0.184 3.014 3.960 -1.270 0.000 0.218 44 G HA3 -0.184 3.014 3.960 -1.270 0.000 0.218 44 G C 1.554 176.413 174.900 -0.068 0.000 1.140 44 G CA 0.805 45.710 45.100 -0.325 0.000 0.775 44 G HN 0.489 nan 8.290 nan 0.000 0.545 45 I N -0.019 120.397 120.570 -0.256 0.000 2.163 45 I HA -0.089 3.319 4.170 -1.270 0.000 0.240 45 I C 2.515 178.617 176.117 -0.025 0.000 1.081 45 I CA 0.571 61.767 61.300 -0.173 0.000 1.353 45 I CB -0.162 37.663 38.000 -0.292 0.000 1.054 45 I HN 0.105 nan 8.210 nan 0.000 0.407 46 I N 1.125 121.694 120.570 -0.003 0.000 2.264 46 I HA -0.272 3.136 4.170 -1.270 0.000 0.248 46 I C 2.518 178.721 176.117 0.143 0.000 1.111 46 I CA 1.539 62.905 61.300 0.110 0.000 1.382 46 I CB -0.408 37.667 38.000 0.126 0.000 1.060 46 I HN 0.162 nan 8.210 nan 0.000 0.418 47 A N -1.106 121.783 122.820 0.115 0.000 1.877 47 A HA -0.245 3.313 4.320 -1.270 0.000 0.216 47 A C 2.524 180.129 177.584 0.035 0.000 1.186 47 A CA 2.127 54.222 52.037 0.096 0.000 0.620 47 A CB -1.245 17.891 19.000 0.226 0.000 0.822 47 A HN 0.480 nan 8.150 nan 0.000 0.443 48 S N -0.487 115.247 115.700 0.058 0.000 2.368 48 S HA -0.079 3.629 4.470 -1.270 0.000 0.224 48 S C 1.962 176.584 174.600 0.036 0.000 1.029 48 S CA 1.354 59.554 58.200 0.001 0.000 0.988 48 S CB -0.512 62.700 63.200 0.020 0.000 0.838 48 S HN 0.475 nan 8.310 nan 0.000 0.462 49 L N 0.813 122.090 121.223 0.090 0.000 2.083 49 L HA -0.066 3.512 4.340 -1.270 0.000 0.209 49 L C 2.898 179.899 176.870 0.217 0.000 1.083 49 L CA 1.503 56.440 54.840 0.162 0.000 0.752 49 L CB -0.521 41.652 42.059 0.189 0.000 0.899 49 L HN 0.292 nan 8.230 nan 0.000 0.433 50 R N 0.145 120.710 120.500 0.108 0.000 2.081 50 R HA -0.154 3.424 4.340 -1.270 0.000 0.235 50 R C 2.538 178.764 176.300 -0.124 0.000 1.131 50 R CA 1.968 57.919 56.100 -0.247 0.000 0.960 50 R CB -0.825 29.242 30.300 -0.389 0.000 0.856 50 R HN 0.203 nan 8.270 nan 0.000 0.436 51 S N -0.039 115.618 115.700 -0.072 0.000 2.353 51 S HA -0.152 3.555 4.470 -1.270 0.000 0.222 51 S C 1.702 176.290 174.600 -0.020 0.000 1.035 51 S CA 1.657 59.816 58.200 -0.067 0.000 1.025 51 S CB -0.154 62.998 63.200 -0.081 0.000 0.902 51 S HN 0.449 nan 8.310 nan 0.000 0.440 52 K N -0.636 119.779 120.400 0.026 0.000 2.057 52 K HA -0.131 3.427 4.320 -1.270 0.000 0.207 52 K C 2.041 178.690 176.600 0.082 0.000 1.049 52 K CA 1.677 57.991 56.287 0.046 0.000 0.931 52 K CB -0.461 32.080 32.500 0.068 0.000 0.714 52 K HN 0.539 nan 8.250 nan 0.000 0.440 53 Y N 1.429 121.741 120.300 0.020 0.000 2.207 53 Y HA -0.140 3.648 4.550 -1.270 0.000 0.287 53 Y C 1.273 177.165 175.900 -0.013 0.000 1.156 53 Y CA 1.318 59.452 58.100 0.056 0.000 1.182 53 Y CB 0.031 38.591 38.460 0.166 0.000 0.979 53 Y HN -0.057 nan 8.280 nan 0.000 0.521 54 L N 1.475 122.690 121.223 -0.014 0.000 2.737 54 L HA 0.041 3.618 4.340 -1.270 0.000 0.236 54 L C 0.131 176.941 176.870 -0.100 0.000 1.219 54 L CA 0.129 54.907 54.840 -0.102 0.000 1.021 54 L CB -0.342 41.666 42.059 -0.083 0.000 1.291 54 L HN 0.243 nan 8.230 nan 0.000 0.470 55 Q N -0.352 119.393 119.800 -0.092 0.000 2.494 55 Q HA -0.242 3.336 4.340 -1.270 0.000 0.272 55 Q C 1.104 177.070 176.000 -0.056 0.000 1.145 55 Q CA 0.970 56.729 55.803 -0.073 0.000 0.943 55 Q CB -2.264 26.425 28.738 -0.081 0.000 1.338 55 Q HN 0.801 nan 8.270 nan 0.000 0.492 56 G N -1.336 107.433 108.800 -0.051 0.000 2.175 56 G HA2 -0.282 2.916 3.960 -1.270 0.000 0.244 56 G HA3 -0.282 2.916 3.960 -1.270 0.000 0.244 56 G C 0.138 175.000 174.900 -0.063 0.000 0.982 56 G CA 0.170 45.239 45.100 -0.052 0.000 0.641 56 G HN 0.159 nan 8.290 nan 0.000 0.527 57 K N 1.204 121.560 120.400 -0.072 0.000 2.380 57 K HA 0.307 3.865 4.320 -1.270 0.000 0.267 57 K C 0.729 177.275 176.600 -0.089 0.000 0.990 57 K CA 0.275 56.514 56.287 -0.080 0.000 0.946 57 K CB 0.204 32.651 32.500 -0.090 0.000 0.937 57 K HN 0.187 nan 8.250 nan 0.000 0.491 58 T N 1.737 116.237 114.554 -0.089 0.000 2.851 58 T HA 0.204 3.792 4.350 -1.270 0.000 0.298 58 T C -0.005 174.629 174.700 -0.109 0.000 0.977 58 T CA -0.411 61.633 62.100 -0.094 0.000 1.126 58 T CB 0.556 69.379 68.868 -0.075 0.000 0.916 58 T HN 0.127 nan 8.240 nan 0.000 0.529 59 V N 3.026 122.869 119.914 -0.119 0.000 2.495 59 V HA 0.716 4.074 4.120 -1.270 0.000 0.298 59 V C 0.695 176.734 176.094 -0.093 0.000 1.031 59 V CA -0.785 61.444 62.300 -0.119 0.000 0.871 59 V CB 1.902 33.650 31.823 -0.125 0.000 0.988 59 V HN 1.015 nan 8.190 nan 0.000 0.432 60 G N 2.876 111.627 108.800 -0.081 0.000 2.461 60 G HA2 0.683 3.880 3.960 -1.270 0.000 0.329 60 G HA3 0.683 3.880 3.960 -1.270 0.000 0.329 60 G C -1.279 173.633 174.900 0.020 0.000 1.170 60 G CA -0.567 44.515 45.100 -0.030 0.000 0.935 60 G HN 0.569 nan 8.290 nan 0.000 0.492 61 V N 1.025 121.000 119.914 0.102 0.000 2.709 61 V HA 0.589 3.947 4.120 -1.270 0.000 0.308 61 V C -0.613 175.542 176.094 0.102 0.000 1.062 61 V CA -0.674 61.700 62.300 0.123 0.000 0.901 61 V CB 1.865 33.814 31.823 0.210 0.000 1.003 61 V HN 0.797 nan 8.190 nan 0.000 0.425 62 M N 6.116 125.761 119.600 0.076 0.000 2.253 62 M HA 0.627 4.345 4.480 -1.270 0.000 0.314 62 M C -1.414 174.929 176.300 0.072 0.000 1.019 62 M CA -0.390 54.960 55.300 0.083 0.000 0.932 62 M CB 1.395 34.044 32.600 0.082 0.000 1.606 62 M HN 0.402 nan 8.290 nan 0.000 0.430 63 I N 4.275 124.887 120.570 0.071 0.000 2.297 63 I HA 0.557 3.965 4.170 -1.270 0.000 0.291 63 I C 0.009 176.161 176.117 0.059 0.000 1.033 63 I CA 0.045 61.376 61.300 0.052 0.000 1.253 63 I CB 0.013 38.036 38.000 0.038 0.000 1.396 63 I HN 0.821 nan 8.210 nan 0.000 0.476 64 T N 3.910 118.494 114.554 0.050 0.000 2.843 64 T HA 0.581 4.169 4.350 -1.270 0.000 0.337 64 T C -0.782 173.939 174.700 0.035 0.000 1.754 64 T CA -0.000 62.130 62.100 0.050 0.000 1.052 64 T CB 1.366 70.271 68.868 0.061 0.000 1.588 64 T HN 0.542 nan 8.240 nan 0.000 0.493 65 A N 1.859 124.697 122.820 0.031 0.000 2.609 65 A HA 0.722 4.280 4.320 -1.270 0.000 0.286 65 A C 1.193 178.782 177.584 0.008 0.000 1.138 65 A CA 1.147 53.189 52.037 0.007 0.000 0.960 65 A CB -0.574 18.422 19.000 -0.006 0.000 1.208 65 A HN 1.710 nan 8.150 nan 0.000 0.541 66 S N 0.316 116.048 115.700 0.053 0.000 4.155 66 S HA -0.353 3.355 4.470 -1.270 0.000 0.552 66 S C 1.321 176.015 174.600 0.156 0.000 1.869 66 S CA 2.181 60.449 58.200 0.113 0.000 4.246 66 S CB -1.268 62.037 63.200 0.175 0.000 0.245 66 S HN 1.396 nan 8.310 nan 0.000 0.461 67 H N 1.804 120.897 119.070 0.039 0.000 2.549 67 H HA 0.485 4.278 4.556 -1.270 0.000 0.279 67 H C 0.494 175.854 175.328 0.053 0.000 1.018 67 H CA 0.212 56.294 56.048 0.057 0.000 1.175 67 H CB -0.941 28.857 29.762 0.061 0.000 1.485 67 H HN 0.297 nan 8.280 nan 0.000 0.543 68 N N 3.658 122.177 118.700 -0.302 0.000 2.297 68 N HA 0.076 4.054 4.740 -1.270 0.000 0.232 68 N C -2.194 173.272 175.510 -0.073 0.000 1.311 68 N CA -0.886 52.024 53.050 -0.234 0.000 0.897 68 N CB 0.218 38.606 38.487 -0.165 0.000 1.137 68 N HN 0.246 nan 8.380 nan 0.000 0.449 69 P HA 0.116 nan 4.420 nan 0.000 0.272 69 P C -2.071 175.228 177.300 -0.000 0.000 1.230 69 P CA -1.065 62.030 63.100 -0.009 0.000 0.788 69 P CB 0.365 32.059 31.700 -0.010 0.000 0.949 70 P HA -0.227 nan 4.420 nan 0.000 0.218 70 P C 1.467 178.773 177.300 0.011 0.000 1.152 70 P CA 1.781 64.889 63.100 0.014 0.000 0.857 70 P CB -0.179 31.524 31.700 0.006 0.000 0.787 71 E N -0.721 119.481 120.200 0.003 0.000 2.418 71 E HA -0.080 3.508 4.350 -1.270 0.000 0.197 71 E C 0.145 176.752 176.600 0.011 0.000 1.026 71 E CA 0.947 57.350 56.400 0.006 0.000 0.862 71 E CB -0.651 29.050 29.700 0.002 0.000 0.799 71 E HN 0.280 nan 8.360 nan 0.000 0.518 72 D N 0.442 120.847 120.400 0.008 0.000 2.478 72 D HA 0.387 4.265 4.640 -1.270 0.000 0.263 72 D C 0.030 176.339 176.300 0.014 0.000 1.153 72 D CA -0.492 53.515 54.000 0.011 0.000 1.038 72 D CB 0.846 41.647 40.800 0.001 0.000 1.120 72 D HN -0.064 nan 8.370 nan 0.000 0.564 73 N N -1.959 116.751 118.700 0.017 0.000 3.261 73 N HA 0.557 4.535 4.740 -1.270 0.000 0.248 73 N C -1.360 174.164 175.510 0.023 0.000 1.498 73 N CA -0.444 52.618 53.050 0.020 0.000 0.884 73 N CB 1.842 40.342 38.487 0.021 0.000 1.428 73 N HN 0.538 nan 8.380 nan 0.000 0.517 74 G N -0.823 107.992 108.800 0.026 0.000 2.608 74 G HA2 0.577 3.775 3.960 -1.270 0.000 0.291 74 G HA3 0.577 3.775 3.960 -1.270 0.000 0.291 74 G C -1.938 172.985 174.900 0.038 0.000 1.425 74 G CA -0.195 44.925 45.100 0.034 0.000 0.787 74 G HN 0.607 nan 8.290 nan 0.000 0.484 75 V N -0.363 119.585 119.914 0.057 0.000 2.851 75 V HA 0.842 4.199 4.120 -1.270 0.000 0.307 75 V C -1.353 174.779 176.094 0.063 0.000 1.129 75 V CA -0.810 61.533 62.300 0.073 0.000 0.932 75 V CB 1.946 33.824 31.823 0.092 0.000 1.024 75 V HN 0.844 nan 8.190 nan 0.000 0.426 76 K N 4.333 124.778 120.400 0.076 0.000 2.477 76 K HA 0.774 4.332 4.320 -1.270 0.000 0.255 76 K C -1.627 175.067 176.600 0.156 0.000 0.952 76 K CA -0.817 55.534 56.287 0.107 0.000 0.826 76 K CB 2.718 35.242 32.500 0.040 0.000 1.331 76 K HN 0.483 nan 8.250 nan 0.000 0.437 77 V N 2.001 122.048 119.914 0.221 0.000 2.483 77 V HA 0.356 3.714 4.120 -1.270 0.000 0.295 77 V C -0.494 175.599 176.094 -0.003 0.000 1.035 77 V CA -0.863 61.491 62.300 0.090 0.000 0.896 77 V CB 1.762 33.618 31.823 0.056 0.000 0.986 77 V HN 0.443 nan 8.190 nan 0.000 0.447 78 V N 3.498 123.356 119.914 -0.094 0.000 2.384 78 V HA 0.388 3.746 4.120 -1.270 0.000 0.287 78 V C -0.139 175.858 176.094 -0.162 0.000 1.020 78 V CA -0.721 61.467 62.300 -0.188 0.000 0.850 78 V CB 1.654 33.232 31.823 -0.409 0.000 0.987 78 V HN 0.827 nan 8.190 nan 0.000 0.436 79 D N 5.564 125.874 120.400 -0.151 0.000 2.371 79 D HA 0.200 4.077 4.640 -1.270 0.000 0.242 79 D C -1.381 174.828 176.300 -0.151 0.000 1.218 79 D CA -1.588 52.316 54.000 -0.160 0.000 0.945 79 D CB 1.318 42.022 40.800 -0.160 0.000 1.137 79 D HN 0.232 nan 8.370 nan 0.000 0.464 80 P HA -0.148 nan 4.420 nan 0.000 0.218 80 P C 1.244 178.458 177.300 -0.143 0.000 1.154 80 P CA 1.224 64.243 63.100 -0.135 0.000 0.872 80 P CB 0.174 31.802 31.700 -0.121 0.000 0.790 81 L N -3.229 117.911 121.223 -0.138 0.000 2.552 81 L HA 0.153 3.730 4.340 -1.270 0.000 0.227 81 L C 1.613 178.380 176.870 -0.172 0.000 1.146 81 L CA 0.828 55.575 54.840 -0.156 0.000 0.858 81 L CB -0.889 41.095 42.059 -0.125 0.000 0.969 81 L HN 0.172 nan 8.230 nan 0.000 0.451 82 G N -0.170 108.548 108.800 -0.137 0.000 2.159 82 G HA2 -0.258 2.940 3.960 -1.270 0.000 0.227 82 G HA3 -0.258 2.940 3.960 -1.270 0.000 0.227 82 G C 0.317 175.254 174.900 0.061 0.000 0.986 82 G CA 0.239 45.300 45.100 -0.065 0.000 0.651 82 G HN 0.437 nan 8.290 nan 0.000 0.523 83 S N 0.226 115.903 115.700 -0.039 0.000 2.687 83 S HA 0.841 4.549 4.470 -1.270 0.000 0.283 83 S C 0.731 175.322 174.600 -0.015 0.000 1.170 83 S CA -0.887 57.294 58.200 -0.032 0.000 1.008 83 S CB 1.440 64.572 63.200 -0.113 0.000 1.026 83 S HN 0.229 nan 8.310 nan 0.000 0.541 84 M N 1.554 121.168 119.600 0.024 0.000 2.240 84 M HA 0.238 3.956 4.480 -1.270 0.000 0.317 84 M C 0.097 176.381 176.300 -0.027 0.000 1.087 84 M CA -1.035 54.282 55.300 0.028 0.000 1.176 84 M CB -0.578 32.062 32.600 0.067 0.000 1.439 84 M HN 0.855 nan 8.290 nan 0.000 0.452 85 L N 2.111 123.319 121.223 -0.025 0.000 2.593 85 L HA -0.078 3.500 4.340 -1.270 0.000 0.287 85 L C 0.688 177.508 176.870 -0.083 0.000 1.243 85 L CA 0.668 55.454 54.840 -0.091 0.000 0.890 85 L CB -0.159 41.831 42.059 -0.116 0.000 1.134 85 L HN 0.734 nan 8.230 nan 0.000 0.502 86 E N 2.958 123.082 120.200 -0.125 0.000 2.502 86 E HA -0.083 3.504 4.350 -1.270 0.000 0.261 86 E C 0.926 177.512 176.600 -0.023 0.000 0.974 86 E CA 0.564 56.922 56.400 -0.071 0.000 0.936 86 E CB 0.768 30.416 29.700 -0.086 0.000 0.926 86 E HN 0.873 nan 8.360 nan 0.000 0.459 87 S N 2.604 118.290 115.700 -0.023 0.000 2.372 87 S HA -0.269 3.438 4.470 -1.270 0.000 0.227 87 S C 1.872 176.434 174.600 -0.065 0.000 1.044 87 S CA 1.703 59.882 58.200 -0.034 0.000 1.050 87 S CB -0.374 62.805 63.200 -0.035 0.000 0.901 87 S HN 0.768 nan 8.310 nan 0.000 0.447 88 S N -0.398 115.277 115.700 -0.041 0.000 2.469 88 S HA -0.092 3.616 4.470 -1.270 0.000 0.238 88 S C 1.201 175.540 174.600 -0.435 0.000 0.998 88 S CA 0.689 58.793 58.200 -0.160 0.000 0.957 88 S CB -0.556 62.615 63.200 -0.049 0.000 0.764 88 S HN 0.671 nan 8.310 nan 0.000 0.514 89 W N 2.094 123.115 121.300 -0.464 0.000 3.077 89 W HA 0.389 4.286 4.660 -1.271 0.000 0.266 89 W C 2.055 178.276 176.519 -0.497 0.000 1.300 89 W CA -0.494 56.542 57.345 -0.515 0.000 1.586 89 W CB -0.118 29.207 29.460 -0.224 0.000 1.103 89 W HN 0.419 nan 8.180 nan 0.000 0.652 90 E N 0.403 120.435 120.200 -0.281 0.000 2.110 90 E HA -0.262 3.326 4.350 -1.270 0.000 0.193 90 E C 1.914 178.361 176.600 -0.256 0.000 0.988 90 E CA 1.274 57.444 56.400 -0.382 0.000 0.804 90 E CB -0.087 29.533 29.700 -0.132 0.000 0.745 90 E HN -0.001 nan 8.360 nan 0.000 0.458 91 K N 1.038 121.256 120.400 -0.303 0.000 2.057 91 K HA -0.170 3.388 4.320 -1.270 0.000 0.207 91 K C 1.653 178.177 176.600 -0.126 0.000 1.049 91 K CA 1.497 57.648 56.287 -0.227 0.000 0.931 91 K CB -0.468 31.838 32.500 -0.323 0.000 0.714 91 K HN 0.310 nan 8.250 nan 0.000 0.440 92 Y N -0.180 120.010 120.300 -0.183 0.000 2.200 92 Y HA -0.134 3.654 4.550 -1.270 0.000 0.290 92 Y C 2.333 178.179 175.900 -0.091 0.000 1.137 92 Y CA 0.304 58.273 58.100 -0.218 0.000 1.163 92 Y CB -0.310 37.865 38.460 -0.474 0.000 0.988 92 Y HN 0.192 nan 8.280 nan 0.000 0.518 93 A N 0.109 122.966 122.820 0.062 0.000 1.908 93 A HA -0.201 3.357 4.320 -1.270 0.000 0.218 93 A C 2.213 179.992 177.584 0.326 0.000 1.181 93 A CA 2.269 54.383 52.037 0.129 0.000 0.627 93 A CB -1.214 17.730 19.000 -0.093 0.000 0.818 93 A HN 0.396 nan 8.150 nan 0.000 0.445 94 T N 0.266 114.981 114.554 0.267 0.000 2.746 94 T HA -0.112 3.475 4.350 -1.270 0.000 0.267 94 T C 1.394 176.266 174.700 0.286 0.000 1.039 94 T CA 1.527 63.853 62.100 0.377 0.000 1.142 94 T CB -0.391 68.617 68.868 0.234 0.000 0.866 94 T HN 0.483 nan 8.240 nan 0.000 0.444 95 D N 0.986 121.498 120.400 0.187 0.000 2.219 95 D HA 0.035 3.913 4.640 -1.270 0.000 0.205 95 D C 2.064 178.451 176.300 0.145 0.000 0.970 95 D CA 0.549 54.638 54.000 0.148 0.000 0.851 95 D CB -0.214 40.650 40.800 0.107 0.000 0.943 95 D HN 0.342 nan 8.370 nan 0.000 0.488 96 L N 0.483 121.786 121.223 0.134 0.000 2.072 96 L HA -0.026 3.552 4.340 -1.270 0.000 0.205 96 L C 2.491 179.433 176.870 0.120 0.000 1.079 96 L CA 0.905 55.798 54.840 0.090 0.000 0.752 96 L CB -0.397 41.672 42.059 0.017 0.000 0.906 96 L HN -0.032 nan 8.230 nan 0.000 0.436 97 A N 0.052 122.940 122.820 0.114 0.000 1.969 97 A HA -0.158 3.400 4.320 -1.270 0.000 0.218 97 A C 1.848 179.679 177.584 0.412 0.000 1.169 97 A CA 1.495 53.571 52.037 0.065 0.000 0.635 97 A CB -0.402 18.458 19.000 -0.234 0.000 0.810 97 A HN 0.424 nan 8.150 nan 0.000 0.445 98 N N 0.015 118.933 118.700 0.364 0.000 2.398 98 N HA 0.198 4.176 4.740 -1.270 0.000 0.188 98 N C 0.618 176.266 175.510 0.230 0.000 1.122 98 N CA 0.732 53.977 53.050 0.324 0.000 0.866 98 N CB -0.158 38.470 38.487 0.235 0.000 0.970 98 N HN 0.487 nan 8.380 nan 0.000 0.462 99 A N 0.265 123.228 122.820 0.239 0.000 2.313 99 A HA 0.463 4.020 4.320 -1.270 0.000 0.261 99 A C 0.271 177.955 177.584 0.167 0.000 1.090 99 A CA -0.139 52.005 52.037 0.180 0.000 0.807 99 A CB 0.433 19.537 19.000 0.173 0.000 1.055 99 A HN 0.105 nan 8.150 nan 0.000 0.492 100 S N 1.880 117.636 115.700 0.093 0.000 2.433 100 S HA 0.430 4.138 4.470 -1.270 0.000 0.310 100 S C -1.693 172.933 174.600 0.043 0.000 1.097 100 S CA -0.967 57.243 58.200 0.017 0.000 1.103 100 S CB 1.434 64.634 63.200 0.001 0.000 0.992 100 S HN 0.656 nan 8.310 nan 0.000 0.469 101 P HA -0.036 nan 4.420 nan 0.000 0.217 101 P C 0.053 177.385 177.300 0.053 0.000 1.150 101 P CA 0.792 63.946 63.100 0.090 0.000 0.832 101 P CB 0.278 32.014 31.700 0.060 0.000 0.787 102 S N -0.610 115.093 115.700 0.005 0.000 2.627 102 S HA 0.544 4.252 4.470 -1.270 0.000 0.283 102 S C -2.389 172.209 174.600 -0.004 0.000 1.127 102 S CA -0.910 57.293 58.200 0.005 0.000 0.863 102 S CB 1.579 64.776 63.200 -0.005 0.000 1.121 102 S HN 0.077 nan 8.310 nan 0.000 0.479 113 S N 1.234 116.961 115.700 0.045 0.000 2.564 113 S HA 0.097 3.804 4.470 -1.270 0.000 0.278 113 S C 1.387 176.033 174.600 0.077 0.000 1.333 113 S CA -0.512 57.723 58.200 0.058 0.000 1.048 113 S CB 1.426 64.654 63.200 0.047 0.000 0.900 113 S HN 0.347 nan 8.310 nan 0.000 0.505 114 L N 5.840 127.131 121.223 0.114 0.000 1.997 114 L HA -0.112 3.465 4.340 -1.270 0.000 0.216 114 L C 2.317 179.241 176.870 0.090 0.000 1.074 114 L CA 2.017 56.940 54.840 0.138 0.000 0.763 114 L CB -0.931 41.264 42.059 0.227 0.000 0.890 114 L HN 0.583 nan 8.230 nan 0.000 0.434 115 V N -0.377 119.590 119.914 0.088 0.000 2.469 115 V HA -0.239 3.119 4.120 -1.270 0.000 0.251 115 V C 2.530 178.646 176.094 0.037 0.000 1.064 115 V CA 2.043 64.381 62.300 0.063 0.000 1.066 115 V CB -0.456 31.407 31.823 0.066 0.000 0.667 115 V HN 0.603 nan 8.190 nan 0.000 0.461 116 E N -0.243 119.978 120.200 0.035 0.000 2.112 116 E HA -0.081 3.507 4.350 -1.270 0.000 0.190 116 E C 2.249 178.852 176.600 0.005 0.000 0.979 116 E CA 1.355 57.766 56.400 0.018 0.000 0.814 116 E CB -0.435 29.277 29.700 0.020 0.000 0.762 116 E HN 0.554 nan 8.360 nan 0.000 0.460 117 V N 1.704 121.626 119.914 0.013 0.000 2.407 117 V HA -0.224 3.134 4.120 -1.270 0.000 0.248 117 V C 2.391 178.462 176.094 -0.038 0.000 1.055 117 V CA 1.300 63.596 62.300 -0.005 0.000 1.049 117 V CB -0.439 31.397 31.823 0.023 0.000 0.662 117 V HN 0.183 nan 8.190 nan 0.000 0.455 118 I N -0.386 120.170 120.570 -0.022 0.000 2.202 118 I HA -0.236 3.172 4.170 -1.270 0.000 0.242 118 I C 2.549 178.637 176.117 -0.049 0.000 1.091 118 I CA 1.607 62.882 61.300 -0.042 0.000 1.368 118 I CB -0.437 37.553 38.000 -0.015 0.000 1.058 118 I HN 0.240 nan 8.210 nan 0.000 0.410 119 K N 0.616 121.001 120.400 -0.026 0.000 2.152 119 K HA -0.159 3.399 4.320 -1.270 0.000 0.206 119 K C 1.830 178.403 176.600 -0.045 0.000 1.048 119 K CA 1.271 57.543 56.287 -0.024 0.000 0.933 119 K CB -0.273 32.222 32.500 -0.007 0.000 0.721 119 K HN 0.333 nan 8.250 nan 0.000 0.447 120 N N 1.116 119.782 118.700 -0.057 0.000 2.142 120 N HA -0.096 3.882 4.740 -1.270 0.000 0.186 120 N C 1.886 177.316 175.510 -0.134 0.000 1.023 120 N CA 0.942 53.946 53.050 -0.077 0.000 0.852 120 N CB -0.214 38.232 38.487 -0.067 0.000 0.998 120 N HN 0.134 nan 8.380 nan 0.000 0.424 121 L N 0.406 121.517 121.223 -0.186 0.000 2.017 121 L HA -0.109 3.469 4.340 -1.270 0.000 0.208 121 L C 2.248 178.979 176.870 -0.232 0.000 1.073 121 L CA 0.773 55.419 54.840 -0.324 0.000 0.745 121 L CB -0.507 41.316 42.059 -0.392 0.000 0.894 121 L HN -0.045 nan 8.230 nan 0.000 0.432 122 V N -0.938 118.900 119.914 -0.128 0.000 2.332 122 V HA -0.329 3.029 4.120 -1.270 0.000 0.248 122 V C 2.696 178.768 176.094 -0.036 0.000 1.055 122 V CA 2.165 64.433 62.300 -0.053 0.000 1.038 122 V CB -0.377 31.433 31.823 -0.022 0.000 0.651 122 V HN 0.470 nan 8.190 nan 0.000 0.450 123 S N -0.611 115.060 115.700 -0.049 0.000 2.362 123 S HA -0.175 3.533 4.470 -1.270 0.000 0.221 123 S C 1.757 176.334 174.600 -0.038 0.000 1.032 123 S CA 1.457 59.638 58.200 -0.032 0.000 0.973 123 S CB -0.365 62.817 63.200 -0.030 0.000 0.849 123 S HN 0.642 nan 8.310 nan 0.000 0.465 124 D N 1.442 121.796 120.400 -0.077 0.000 2.117 124 D HA -0.038 3.839 4.640 -1.270 0.000 0.197 124 D C 1.767 178.034 176.300 -0.055 0.000 0.987 124 D CA 1.068 55.020 54.000 -0.079 0.000 0.829 124 D CB -0.323 40.397 40.800 -0.134 0.000 0.961 124 D HN 0.409 nan 8.370 nan 0.000 0.460 125 L N -0.148 121.028 121.223 -0.078 0.000 2.509 125 L HA 0.078 3.656 4.340 -1.270 0.000 0.222 125 L C 0.259 177.235 176.870 0.177 0.000 1.123 125 L CA 0.082 54.953 54.840 0.050 0.000 0.856 125 L CB -0.026 41.990 42.059 -0.071 0.000 0.985 125 L HN -0.121 nan 8.230 nan 0.000 0.456 126 K N 0.877 121.329 120.400 0.086 0.000 3.203 126 K HA -0.125 3.433 4.320 -1.270 0.000 0.270 126 K C -0.347 176.317 176.600 0.107 0.000 1.132 126 K CA 0.566 56.899 56.287 0.076 0.000 0.794 126 K CB -2.112 30.424 32.500 0.060 0.000 1.270 126 K HN 0.307 nan 8.250 nan 0.000 0.491 127 I N 1.203 121.851 120.570 0.130 0.000 2.471 127 I HA 0.018 3.426 4.170 -1.270 0.000 0.286 127 I C 0.896 177.059 176.117 0.077 0.000 1.079 127 I CA -0.217 61.176 61.300 0.155 0.000 1.398 127 I CB 0.558 38.662 38.000 0.173 0.000 1.403 127 I HN 0.004 nan 8.210 nan 0.000 0.530 128 D N 7.204 127.638 120.400 0.057 0.000 2.411 128 D HA 0.175 4.052 4.640 -1.270 0.000 0.225 128 D C 0.945 177.263 176.300 0.031 0.000 1.156 128 D CA -0.162 53.856 54.000 0.030 0.000 0.874 128 D CB 0.944 41.750 40.800 0.011 0.000 1.034 128 D HN 0.435 nan 8.370 nan 0.000 0.502 129 L N 2.461 123.702 121.223 0.031 0.000 2.353 129 L HA -0.166 3.412 4.340 -1.270 0.000 0.220 129 L C 2.230 179.113 176.870 0.022 0.000 1.133 129 L CA 0.948 55.805 54.840 0.029 0.000 0.798 129 L CB -0.368 41.708 42.059 0.028 0.000 0.922 129 L HN 0.365 nan 8.230 nan 0.000 0.445 130 S N -0.627 115.083 115.700 0.016 0.000 2.461 130 S HA 0.040 3.747 4.470 -1.270 0.000 0.228 130 S C 0.954 175.557 174.600 0.006 0.000 1.005 130 S CA -0.138 58.069 58.200 0.011 0.000 0.942 130 S CB -0.375 62.830 63.200 0.008 0.000 0.776 130 S HN 0.250 nan 8.310 nan 0.000 0.514 131 I N 3.598 124.171 120.570 0.004 0.000 2.517 131 I HA 0.197 3.604 4.170 -1.270 0.000 0.285 131 I C -2.483 173.631 176.117 -0.004 0.000 1.106 131 I CA -2.207 59.091 61.300 -0.004 0.000 1.402 131 I CB 0.502 38.497 38.000 -0.008 0.000 1.399 131 I HN 0.019 nan 8.210 nan 0.000 0.535 132 P HA 0.011 nan 4.420 nan 0.000 0.263 132 P C -0.585 176.701 177.300 -0.025 0.000 1.195 132 P CA 0.032 63.124 63.100 -0.014 0.000 0.762 132 P CB 0.595 32.284 31.700 -0.018 0.000 0.799 133 A N 4.227 127.031 122.820 -0.027 0.000 2.316 133 A HA 0.449 4.007 4.320 -1.270 0.000 0.284 133 A C -0.017 177.520 177.584 -0.077 0.000 1.115 133 A CA -0.336 51.672 52.037 -0.049 0.000 0.812 133 A CB 0.301 19.274 19.000 -0.046 0.000 1.064 133 A HN 0.495 nan 8.150 nan 0.000 0.489 134 N N 0.677 119.316 118.700 -0.102 0.000 2.461 134 N HA 0.507 4.485 4.740 -1.270 0.000 0.284 134 N C -1.236 174.172 175.510 -0.170 0.000 1.049 134 N CA -0.170 52.809 53.050 -0.119 0.000 0.889 134 N CB 2.069 40.505 38.487 -0.085 0.000 1.365 134 N HN 0.691 nan 8.380 nan 0.000 0.499 135 V N -0.739 119.022 119.914 -0.255 0.000 3.007 135 V HA 0.846 4.203 4.120 -1.270 0.000 0.311 135 V C -0.227 175.714 176.094 -0.256 0.000 1.120 135 V CA -0.907 61.179 62.300 -0.357 0.000 0.980 135 V CB 1.671 33.025 31.823 -0.783 0.000 1.033 135 V HN 0.277 nan 8.190 nan 0.000 0.429 136 V N 1.516 121.373 119.914 -0.095 0.000 2.823 136 V HA 0.850 4.207 4.120 -1.270 0.000 0.312 136 V C -0.614 175.611 176.094 0.219 0.000 1.072 136 V CA -0.649 61.720 62.300 0.116 0.000 0.937 136 V CB 1.686 33.633 31.823 0.206 0.000 1.013 136 V HN 1.211 nan 8.190 nan 0.000 0.430 137 I N 2.273 123.035 120.570 0.321 0.000 2.828 137 I HA 0.957 4.365 4.170 -1.270 0.000 0.302 137 I C -0.304 175.949 176.117 0.226 0.000 1.101 137 I CA -0.549 60.930 61.300 0.299 0.000 1.031 137 I CB 2.132 40.349 38.000 0.362 0.000 1.231 137 I HN 1.243 nan 8.210 nan 0.000 0.427 138 A N 5.864 128.788 122.820 0.172 0.000 2.602 138 A HA 0.934 4.492 4.320 -1.270 0.000 0.290 138 A C -1.525 176.137 177.584 0.129 0.000 1.114 138 A CA -0.752 51.371 52.037 0.144 0.000 0.683 138 A CB 1.944 21.084 19.000 0.235 0.000 1.281 138 A HN 0.804 nan 8.150 nan 0.000 0.416 139 R N -0.047 120.530 120.500 0.128 0.000 2.710 139 R HA 0.631 4.209 4.340 -1.270 0.000 0.270 139 R C -1.426 174.946 176.300 0.120 0.000 1.021 139 R CA -0.556 55.608 56.100 0.107 0.000 0.889 139 R CB 1.108 31.455 30.300 0.078 0.000 1.243 139 R HN 0.713 nan 8.270 nan 0.000 0.464 140 D N 0.533 120.994 120.400 0.103 0.000 2.469 140 D HA 0.054 3.932 4.640 -1.270 0.000 0.278 140 D C 0.621 176.990 176.300 0.115 0.000 1.231 140 D CA -0.347 53.716 54.000 0.105 0.000 1.075 140 D CB 0.379 41.235 40.800 0.094 0.000 1.121 140 D HN 0.570 nan 8.370 nan 0.000 0.571 141 S N -2.275 113.505 115.700 0.133 0.000 2.634 141 S HA 0.132 3.840 4.470 -1.270 0.000 0.221 141 S C 0.651 175.335 174.600 0.140 0.000 0.952 141 S CA -0.627 57.678 58.200 0.175 0.000 0.930 141 S CB -0.489 62.877 63.200 0.277 0.000 0.780 141 S HN 0.332 nan 8.310 nan 0.000 0.498 142 R N 1.775 122.337 120.500 0.103 0.000 2.734 142 R HA 0.111 3.688 4.340 -1.270 0.000 0.266 142 R C 1.589 177.929 176.300 0.067 0.000 1.044 142 R CA -0.027 56.120 56.100 0.078 0.000 1.128 142 R CB 0.313 30.649 30.300 0.060 0.000 1.010 142 R HN 0.265 nan 8.270 nan 0.000 0.461 143 E N 1.324 121.555 120.200 0.051 0.000 2.118 143 E HA -0.190 3.397 4.350 -1.270 0.000 0.195 143 E C 1.143 177.765 176.600 0.036 0.000 0.992 143 E CA 2.103 58.527 56.400 0.040 0.000 0.804 143 E CB 0.133 29.849 29.700 0.027 0.000 0.741 143 E HN 0.665 nan 8.360 nan 0.000 0.458 144 S N -0.857 114.863 115.700 0.033 0.000 2.558 144 S HA 0.082 3.790 4.470 -1.270 0.000 0.217 144 S C 2.050 176.668 174.600 0.029 0.000 0.975 144 S CA 0.518 58.735 58.200 0.028 0.000 0.912 144 S CB 0.234 63.447 63.200 0.023 0.000 0.776 144 S HN 0.041 nan 8.310 nan 0.000 0.526 145 S N 3.653 119.376 115.700 0.040 0.000 2.353 145 S HA -0.008 3.699 4.470 -1.270 0.000 0.222 145 S C -0.673 173.948 174.600 0.036 0.000 1.035 145 S CA 1.648 59.873 58.200 0.042 0.000 1.025 145 S CB -1.382 61.854 63.200 0.061 0.000 0.902 145 S HN 0.473 nan 8.310 nan 0.000 0.440 146 P HA -0.064 nan 4.420 nan 0.000 0.215 146 P C 1.465 178.780 177.300 0.025 0.000 1.157 146 P CA 1.544 64.667 63.100 0.038 0.000 0.868 146 P CB -0.116 31.611 31.700 0.044 0.000 0.788 147 A N -0.816 122.019 122.820 0.025 0.000 1.898 147 A HA -0.147 3.411 4.320 -1.270 0.000 0.216 147 A C 2.209 179.800 177.584 0.011 0.000 1.181 147 A CA 1.385 53.436 52.037 0.024 0.000 0.620 147 A CB -1.644 17.371 19.000 0.026 0.000 0.819 147 A HN 0.107 nan 8.150 nan 0.000 0.442 148 L N -0.672 120.551 121.223 -0.001 0.000 2.141 148 L HA -0.133 3.445 4.340 -1.270 0.000 0.209 148 L C 2.897 179.727 176.870 -0.066 0.000 1.094 148 L CA 1.306 56.127 54.840 -0.031 0.000 0.763 148 L CB -0.365 41.680 42.059 -0.024 0.000 0.908 148 L HN 0.518 nan 8.230 nan 0.000 0.437 149 S N 0.044 115.718 115.700 -0.043 0.000 2.356 149 S HA -0.206 3.502 4.470 -1.270 0.000 0.223 149 S C 2.089 176.620 174.600 -0.115 0.000 1.032 149 S CA 1.310 59.470 58.200 -0.066 0.000 1.005 149 S CB -0.080 63.115 63.200 -0.009 0.000 0.867 149 S HN 0.281 nan 8.310 nan 0.000 0.449 150 M N 0.991 120.556 119.600 -0.058 0.000 2.108 150 M HA -0.093 3.625 4.480 -1.270 0.000 0.261 150 M C 2.528 178.782 176.300 -0.078 0.000 1.066 150 M CA 1.592 56.862 55.300 -0.050 0.000 1.107 150 M CB -0.726 31.885 32.600 0.018 0.000 1.356 150 M HN 0.510 nan 8.290 nan 0.000 0.406 151 A N 0.156 122.939 122.820 -0.061 0.000 1.902 151 A HA -0.148 3.410 4.320 -1.270 0.000 0.217 151 A C 2.204 179.617 177.584 -0.286 0.000 1.181 151 A CA 2.265 54.212 52.037 -0.150 0.000 0.623 151 A CB -1.171 17.724 19.000 -0.176 0.000 0.818 151 A HN 0.481 nan 8.150 nan 0.000 0.443 152 T N 0.281 114.627 114.554 -0.347 0.000 2.788 152 T HA -0.075 3.513 4.350 -1.270 0.000 0.268 152 T C 1.753 175.891 174.700 -0.938 0.000 1.044 152 T CA 1.448 63.203 62.100 -0.575 0.000 1.139 152 T CB -0.388 68.158 68.868 -0.538 0.000 0.867 152 T HN 0.429 nan 8.240 nan 0.000 0.454 153 I N 1.219 121.329 120.570 -0.766 0.000 2.394 153 I HA -0.147 3.260 4.170 -1.270 0.000 0.251 153 I C 2.125 177.899 176.117 -0.572 0.000 1.136 153 I CA 1.033 61.851 61.300 -0.803 0.000 1.425 153 I CB -0.305 37.360 38.000 -0.559 0.000 1.079 153 I HN 0.113 nan 8.210 nan 0.000 0.425 154 D N 0.864 121.042 120.400 -0.370 0.000 2.178 154 D HA -0.109 3.769 4.640 -1.270 0.000 0.202 154 D C 2.169 178.241 176.300 -0.381 0.000 0.974 154 D CA 1.323 55.111 54.000 -0.353 0.000 0.841 154 D CB -0.326 40.599 40.800 0.209 0.000 0.953 154 D HN 0.380 nan 8.370 nan 0.000 0.478 155 G N -0.133 108.417 108.800 -0.416 0.000 2.404 155 G HA2 -0.210 2.987 3.960 -1.270 0.000 0.215 155 G HA3 -0.210 2.987 3.960 -1.270 0.000 0.215 155 G C 1.620 176.291 174.900 -0.381 0.000 1.174 155 G CA 0.073 44.754 45.100 -0.697 0.000 0.780 155 G HN 0.268 nan 8.290 nan 0.000 0.537 156 F N 0.881 120.609 119.950 -0.369 0.000 2.065 156 F HA -0.200 3.565 4.527 -1.271 0.000 0.298 156 F C 3.138 178.790 175.800 -0.248 0.000 1.112 156 F CA 1.311 59.145 58.000 -0.277 0.000 1.212 156 F CB -0.136 38.681 39.000 -0.305 0.000 0.975 156 F HN 0.171 nan 8.300 nan 0.000 0.476 157 Q N -0.468 119.239 119.800 -0.155 0.000 2.488 157 Q HA -0.080 3.498 4.340 -1.270 0.000 0.211 157 Q C 1.824 177.741 176.000 -0.138 0.000 0.967 157 Q CA 0.718 56.407 55.803 -0.190 0.000 0.926 157 Q CB -0.100 28.433 28.738 -0.342 0.000 0.992 157 Q HN 0.248 nan 8.270 nan 0.000 0.506 158 S N 0.020 115.617 115.700 -0.172 0.000 2.603 158 S HA 0.043 3.751 4.470 -1.270 0.000 0.220 158 S C 0.393 175.027 174.600 0.057 0.000 0.967 158 S CA 0.088 58.325 58.200 0.063 0.000 0.920 158 S CB 0.398 63.633 63.200 0.057 0.000 0.773 158 S HN 0.019 nan 8.310 nan 0.000 0.529 159 V N 4.597 124.523 119.914 0.019 0.000 2.384 159 V HA 0.322 3.680 4.120 -1.270 0.000 0.287 159 V C -2.322 173.801 176.094 0.049 0.000 1.020 159 V CA -2.420 59.898 62.300 0.030 0.000 0.850 159 V CB 1.416 33.247 31.823 0.013 0.000 0.987 159 V HN 0.081 nan 8.190 nan 0.000 0.436 160 P HA -0.006 nan 4.420 nan 0.000 0.264 160 P C -0.134 177.192 177.300 0.043 0.000 1.183 160 P CA 0.360 63.493 63.100 0.056 0.000 0.763 160 P CB 0.050 31.780 31.700 0.050 0.000 0.807 161 N N -0.915 117.811 118.700 0.045 0.000 2.699 161 N HA -0.104 3.873 4.740 -1.270 0.000 0.257 161 N C -0.964 174.559 175.510 0.022 0.000 1.077 161 N CA 0.557 53.625 53.050 0.031 0.000 0.702 161 N CB -1.648 36.851 38.487 0.021 0.000 0.886 161 N HN 0.441 nan 8.380 nan 0.000 0.549 162 T N 0.695 115.269 114.554 0.033 0.000 2.841 162 T HA 0.399 3.986 4.350 -1.270 0.000 0.285 162 T C -0.214 174.508 174.700 0.038 0.000 0.991 162 T CA -0.684 61.425 62.100 0.015 0.000 0.966 162 T CB 2.186 71.064 68.868 0.016 0.000 0.962 162 T HN 0.237 nan 8.240 nan 0.000 0.438 163 K N 3.094 123.489 120.400 -0.009 0.000 2.244 163 K HA 0.579 4.137 4.320 -1.270 0.000 0.260 163 K C -1.343 175.233 176.600 -0.040 0.000 0.951 163 K CA -0.782 55.495 56.287 -0.016 0.000 0.826 163 K CB 0.996 33.460 32.500 -0.059 0.000 1.108 163 K HN 0.712 nan 8.250 nan 0.000 0.433 164 Y N 0.682 120.895 120.300 -0.146 0.000 2.570 164 Y HA 0.568 4.355 4.550 -1.271 0.000 0.345 164 Y C -1.210 174.626 175.900 -0.107 0.000 1.014 164 Y CA -1.138 56.841 58.100 -0.201 0.000 1.063 164 Y CB 1.614 39.951 38.460 -0.205 0.000 1.272 164 Y HN 0.521 nan 8.280 nan 0.000 0.477 165 Q N 1.670 121.414 119.800 -0.093 0.000 2.375 165 Q HA 0.411 3.988 4.340 -1.270 0.000 0.271 165 Q C -2.259 173.738 176.000 -0.004 0.000 1.074 165 Q CA -0.541 55.142 55.803 -0.199 0.000 0.808 165 Q CB 2.055 30.704 28.738 -0.149 0.000 1.327 165 Q HN 0.777 nan 8.270 nan 0.000 0.441 166 D N 2.919 123.215 120.400 -0.173 0.000 2.505 166 D HA 0.251 4.129 4.640 -1.270 0.000 0.250 166 D C -0.788 175.318 176.300 -0.324 0.000 1.164 166 D CA -0.341 53.631 54.000 -0.046 0.000 0.870 166 D CB 0.397 41.260 40.800 0.105 0.000 1.160 166 D HN 0.580 nan 8.370 nan 0.000 0.549 167 F N 2.290 122.098 119.950 -0.238 0.000 2.765 167 F HA 0.298 4.063 4.527 -1.270 0.000 0.302 167 F C 2.021 177.506 175.800 -0.526 0.000 1.111 167 F CA 0.480 58.147 58.000 -0.555 0.000 1.359 167 F CB 0.068 38.374 39.000 -1.157 0.000 1.097 167 F HN 0.623 nan 8.300 nan 0.000 0.577 168 G N 1.040 109.764 108.800 -0.126 0.000 2.614 168 G HA2 -0.356 2.842 3.960 -1.270 0.000 0.303 168 G HA3 -0.356 2.842 3.960 -1.270 0.000 0.303 168 G C 0.054 174.956 174.900 0.004 0.000 1.270 168 G CA -0.340 44.736 45.100 -0.042 0.000 0.988 168 G HN 0.145 nan 8.290 nan 0.000 0.551 169 L N 0.538 121.802 121.223 0.067 0.000 2.615 169 L HA 0.462 4.040 4.340 -1.270 0.000 0.271 169 L C 0.118 177.158 176.870 0.284 0.000 1.183 169 L CA 0.482 55.405 54.840 0.139 0.000 0.933 169 L CB -0.398 41.732 42.059 0.117 0.000 1.199 169 L HN 0.435 nan 8.230 nan 0.000 0.487 170 F N 0.754 120.714 119.950 0.016 0.000 2.654 170 F HA 0.220 3.985 4.527 -1.270 0.000 0.308 170 F C 0.385 176.156 175.800 -0.048 0.000 1.108 170 F CA -1.144 56.836 58.000 -0.032 0.000 0.957 170 F CB 2.190 41.176 39.000 -0.024 0.000 1.309 170 F HN 0.428 nan 8.300 nan 0.000 0.446 171 T N -1.291 113.198 114.554 -0.108 0.000 2.849 171 T HA 0.161 3.748 4.350 -1.270 0.000 0.284 171 T C 0.874 175.513 174.700 -0.103 0.000 1.004 171 T CA -0.292 61.742 62.100 -0.110 0.000 1.021 171 T CB 1.555 70.304 68.868 -0.199 0.000 1.013 171 T HN 0.600 nan 8.240 nan 0.000 0.527 172 T N 2.371 116.904 114.554 -0.034 0.000 2.746 172 T HA 0.001 3.589 4.350 -1.270 0.000 0.267 172 T C -0.882 173.836 174.700 0.031 0.000 1.039 172 T CA 1.491 63.618 62.100 0.045 0.000 1.142 172 T CB -1.281 67.622 68.868 0.057 0.000 0.866 172 T HN 0.575 nan 8.240 nan 0.000 0.444 173 P HA -0.015 nan 4.420 nan 0.000 0.217 173 P C 1.374 178.502 177.300 -0.287 0.000 1.150 173 P CA 0.960 63.967 63.100 -0.155 0.000 0.832 173 P CB -0.002 31.608 31.700 -0.149 0.000 0.787 174 E N -0.578 119.229 120.200 -0.656 0.000 2.110 174 E HA -0.151 3.437 4.350 -1.270 0.000 0.193 174 E C 1.869 178.127 176.600 -0.570 0.000 0.988 174 E CA 0.668 56.384 56.400 -1.140 0.000 0.804 174 E CB -0.659 27.821 29.700 -2.033 0.000 0.745 174 E HN 0.143 nan 8.360 nan 0.000 0.458 175 L N 1.136 122.249 121.223 -0.183 0.000 2.056 175 L HA -0.186 3.391 4.340 -1.270 0.000 0.207 175 L C 2.058 178.925 176.870 -0.006 0.000 1.078 175 L CA 1.961 56.846 54.840 0.076 0.000 0.749 175 L CB -0.784 41.362 42.059 0.145 0.000 0.901 175 L HN 0.306 nan 8.230 nan 0.000 0.433 176 H N -1.787 117.243 119.070 -0.066 0.000 2.387 176 H HA -0.228 3.566 4.556 -1.270 0.000 0.299 176 H C 2.066 177.359 175.328 -0.058 0.000 1.090 176 H CA 2.002 58.017 56.048 -0.056 0.000 1.332 176 H CB -0.070 29.668 29.762 -0.039 0.000 1.386 176 H HN 0.429 nan 8.280 nan 0.000 0.516 177 Y N 2.064 122.346 120.300 -0.029 0.000 2.114 177 Y HA -0.251 3.537 4.550 -1.271 0.000 0.284 177 Y C 2.670 178.544 175.900 -0.042 0.000 1.143 177 Y CA 1.842 59.940 58.100 -0.003 0.000 1.135 177 Y CB -0.484 37.948 38.460 -0.046 0.000 0.980 177 Y HN 0.003 nan 8.280 nan 0.000 0.499 178 V N -2.940 116.906 119.914 -0.113 0.000 2.515 178 V HA -0.197 3.160 4.120 -1.270 0.000 0.250 178 V C 1.964 177.931 176.094 -0.212 0.000 1.058 178 V CA 2.284 64.436 62.300 -0.246 0.000 1.064 178 V CB -1.534 30.004 31.823 -0.475 0.000 0.675 178 V HN 0.466 nan 8.190 nan 0.000 0.461 179 T N 0.338 114.791 114.554 -0.168 0.000 2.708 179 T HA -0.168 3.420 4.350 -1.270 0.000 0.266 179 T C 2.010 176.607 174.700 -0.171 0.000 1.037 179 T CA 2.199 64.213 62.100 -0.144 0.000 1.146 179 T CB -0.323 68.453 68.868 -0.154 0.000 0.865 179 T HN 0.579 nan 8.240 nan 0.000 0.435 180 R N 0.755 121.125 120.500 -0.216 0.000 2.066 180 R HA -0.114 3.463 4.340 -1.270 0.000 0.232 180 R C 2.610 178.766 176.300 -0.239 0.000 1.131 180 R CA 1.941 57.884 56.100 -0.262 0.000 0.955 180 R CB -0.511 29.553 30.300 -0.394 0.000 0.851 180 R HN 0.527 nan 8.270 nan 0.000 0.432 181 T N -1.005 113.373 114.554 -0.292 0.000 2.995 181 T HA -0.029 3.559 4.350 -1.270 0.000 0.269 181 T C 1.953 176.577 174.700 -0.127 0.000 1.091 181 T CA 0.694 62.664 62.100 -0.218 0.000 1.128 181 T CB -0.173 68.464 68.868 -0.385 0.000 0.891 181 T HN 0.192 nan 8.240 nan 0.000 0.492 182 L N 0.764 121.916 121.223 -0.119 0.000 2.291 182 L HA 0.068 3.646 4.340 -1.270 0.000 0.214 182 L C 2.376 179.209 176.870 -0.061 0.000 1.120 182 L CA 0.768 55.573 54.840 -0.058 0.000 0.799 182 L CB -0.337 41.702 42.059 -0.032 0.000 0.925 182 L HN 0.312 nan 8.230 nan 0.000 0.446 183 N N -1.250 117.399 118.700 -0.085 0.000 2.414 183 N HA -0.021 3.957 4.740 -1.270 0.000 0.177 183 N C -0.021 175.448 175.510 -0.068 0.000 1.062 183 N CA 0.466 53.469 53.050 -0.078 0.000 0.890 183 N CB 0.566 38.996 38.487 -0.096 0.000 1.070 183 N HN 0.115 nan 8.380 nan 0.000 0.454 184 D N 1.091 121.447 120.400 -0.073 0.000 2.378 184 D HA 0.206 4.084 4.640 -1.270 0.000 0.265 184 D C -1.912 174.383 176.300 -0.008 0.000 1.229 184 D CA -1.935 52.039 54.000 -0.044 0.000 0.914 184 D CB 1.437 42.201 40.800 -0.061 0.000 1.140 184 D HN -0.064 nan 8.370 nan 0.000 0.516 185 P HA -0.102 nan 4.420 nan 0.000 0.223 185 P C 0.532 177.843 177.300 0.018 0.000 1.144 185 P CA 0.635 63.737 63.100 0.003 0.000 0.783 185 P CB 0.551 32.249 31.700 -0.002 0.000 0.771 186 D N -0.887 119.527 120.400 0.023 0.000 2.263 186 D HA -0.123 3.754 4.640 -1.270 0.000 0.208 186 D C 1.479 177.802 176.300 0.039 0.000 0.971 186 D CA 0.743 54.751 54.000 0.013 0.000 0.867 186 D CB -0.752 40.051 40.800 0.004 0.000 0.929 186 D HN 0.198 nan 8.370 nan 0.000 0.492 187 F N 0.554 120.455 119.950 -0.082 0.000 2.558 187 F HA 0.233 3.998 4.527 -1.271 0.000 0.298 187 F C 1.123 176.903 175.800 -0.034 0.000 1.119 187 F CA 0.911 58.867 58.000 -0.074 0.000 1.451 187 F CB 0.470 39.406 39.000 -0.106 0.000 1.091 187 F HN -0.040 nan 8.300 nan 0.000 0.563 188 G N 0.323 109.122 108.800 -0.001 0.000 2.347 188 G HA2 0.055 3.253 3.960 -1.270 0.000 0.321 188 G HA3 0.055 3.253 3.960 -1.270 0.000 0.321 188 G C -1.432 173.507 174.900 0.066 0.000 1.412 188 G CA -1.236 43.880 45.100 0.028 0.000 0.990 188 G HN 0.030 nan 8.290 nan 0.000 0.637 189 K N 1.602 122.082 120.400 0.135 0.000 2.368 189 K HA 0.312 3.870 4.320 -1.270 0.000 0.282 189 K C -1.826 174.886 176.600 0.187 0.000 1.035 189 K CA -1.239 55.124 56.287 0.128 0.000 0.973 189 K CB 1.471 34.048 32.500 0.127 0.000 0.957 189 K HN 0.255 nan 8.250 nan 0.000 0.474 190 P HA -0.058 nan 4.420 nan 0.000 0.249 190 P C -0.707 176.734 177.300 0.234 0.000 1.686 190 P CA 0.195 63.358 63.100 0.104 0.000 0.873 190 P CB -0.317 31.416 31.700 0.054 0.000 1.828 191 T N -4.701 110.033 114.554 0.300 0.000 2.887 191 T HA 0.287 3.875 4.350 -1.270 0.000 0.292 191 T C 0.989 175.842 174.700 0.256 0.000 1.087 191 T CA -0.714 61.574 62.100 0.313 0.000 1.009 191 T CB 2.177 71.188 68.868 0.238 0.000 1.203 191 T HN -0.067 nan 8.240 nan 0.000 0.518 192 E N -0.006 120.339 120.200 0.242 0.000 2.106 192 E HA -0.162 3.426 4.350 -1.270 0.000 0.192 192 E C 1.425 177.929 176.600 -0.160 0.000 0.984 192 E CA 1.439 57.845 56.400 0.010 0.000 0.806 192 E CB -0.137 29.651 29.700 0.147 0.000 0.750 192 E HN 0.779 nan 8.360 nan 0.000 0.458 193 D N -0.567 119.888 120.400 0.093 0.000 2.144 193 D HA -0.103 3.774 4.640 -1.270 0.000 0.199 193 D C 1.899 178.256 176.300 0.094 0.000 0.984 193 D CA 1.555 55.678 54.000 0.205 0.000 0.834 193 D CB -0.508 40.448 40.800 0.260 0.000 0.955 193 D HN 0.264 nan 8.370 nan 0.000 0.465 194 G N -0.898 107.959 108.800 0.095 0.000 2.440 194 G HA2 -0.330 2.868 3.960 -1.270 0.000 0.218 194 G HA3 -0.330 2.868 3.960 -1.270 0.000 0.218 194 G C 1.580 176.416 174.900 -0.106 0.000 1.154 194 G CA 1.050 46.208 45.100 0.096 0.000 0.767 194 G HN 0.423 nan 8.290 nan 0.000 0.552 195 Y N 0.480 120.460 120.300 -0.532 0.000 2.114 195 Y HA -0.156 3.632 4.550 -1.271 0.000 0.284 195 Y C 2.612 178.154 175.900 -0.597 0.000 1.143 195 Y CA 1.619 59.087 58.100 -1.052 0.000 1.135 195 Y CB -0.485 37.250 38.460 -1.209 0.000 0.980 195 Y HN 0.340 nan 8.280 nan 0.000 0.499 196 Y N -1.223 118.751 120.300 -0.542 0.000 2.145 196 Y HA -0.277 3.511 4.550 -1.271 0.000 0.286 196 Y C 3.076 178.501 175.900 -0.792 0.000 1.145 196 Y CA 0.964 58.575 58.100 -0.816 0.000 1.148 196 Y CB -0.635 37.206 38.460 -1.032 0.000 0.981 196 Y HN 0.178 nan 8.280 nan 0.000 0.507 197 S N 0.220 115.736 115.700 -0.307 0.000 2.382 197 S HA -0.227 3.481 4.470 -1.270 0.000 0.228 197 S C 2.022 176.539 174.600 -0.137 0.000 1.027 197 S CA 1.534 59.676 58.200 -0.098 0.000 0.991 197 S CB -0.283 62.970 63.200 0.088 0.000 0.823 197 S HN 0.375 nan 8.310 nan 0.000 0.469 198 K N 0.260 120.529 120.400 -0.218 0.000 2.057 198 K HA 0.008 3.565 4.320 -1.270 0.000 0.206 198 K C 2.094 178.545 176.600 -0.248 0.000 1.050 198 K CA 1.223 57.380 56.287 -0.216 0.000 0.935 198 K CB -0.212 32.134 32.500 -0.257 0.000 0.715 198 K HN 0.390 nan 8.250 nan 0.000 0.439 199 L N 0.328 121.329 121.223 -0.369 0.000 2.027 199 L HA -0.139 3.439 4.340 -1.270 0.000 0.206 199 L C 2.625 179.389 176.870 -0.176 0.000 1.074 199 L CA 1.293 55.937 54.840 -0.328 0.000 0.745 199 L CB -0.500 41.270 42.059 -0.482 0.000 0.898 199 L HN 0.259 nan 8.230 nan 0.000 0.433 200 A N -0.036 122.668 122.820 -0.193 0.000 1.902 200 A HA -0.250 3.308 4.320 -1.270 0.000 0.217 200 A C 2.375 179.988 177.584 0.050 0.000 1.181 200 A CA 1.939 53.937 52.037 -0.066 0.000 0.623 200 A CB -0.453 18.529 19.000 -0.030 0.000 0.818 200 A HN 0.324 nan 8.150 nan 0.000 0.443 201 K N 0.396 120.806 120.400 0.016 0.000 2.009 201 K HA -0.184 3.374 4.320 -1.270 0.000 0.210 201 K C 2.333 178.962 176.600 0.049 0.000 1.049 201 K CA 2.072 58.383 56.287 0.040 0.000 0.929 201 K CB -0.243 32.266 32.500 0.014 0.000 0.714 201 K HN 0.607 nan 8.250 nan 0.000 0.440 202 S N 0.192 115.903 115.700 0.018 0.000 2.368 202 S HA -0.180 3.527 4.470 -1.270 0.000 0.225 202 S C 1.941 176.578 174.600 0.062 0.000 1.030 202 S CA 1.014 59.225 58.200 0.019 0.000 0.999 202 S CB -0.791 62.386 63.200 -0.038 0.000 0.844 202 S HN 0.438 nan 8.310 nan 0.000 0.459 203 F N 2.556 122.474 119.950 -0.053 0.000 2.102 203 F HA -0.093 3.672 4.527 -1.271 0.000 0.298 203 F C 2.675 178.498 175.800 0.039 0.000 1.105 203 F CA 1.876 59.862 58.000 -0.025 0.000 1.239 203 F CB -0.457 38.495 39.000 -0.079 0.000 0.991 203 F HN 0.190 nan 8.300 nan 0.000 0.474 204 Q N -0.098 119.842 119.800 0.234 0.000 2.167 204 Q HA -0.184 3.394 4.340 -1.270 0.000 0.202 204 Q C 2.070 178.142 176.000 0.120 0.000 0.970 204 Q CA 1.633 57.541 55.803 0.176 0.000 0.855 204 Q CB -0.249 28.583 28.738 0.158 0.000 0.911 204 Q HN 0.577 nan 8.270 nan 0.000 0.438 205 E N 0.482 120.728 120.200 0.076 0.000 2.106 205 E HA -0.153 3.435 4.350 -1.270 0.000 0.192 205 E C 1.924 178.551 176.600 0.045 0.000 0.984 205 E CA 0.831 57.266 56.400 0.058 0.000 0.806 205 E CB -0.005 29.720 29.700 0.042 0.000 0.750 205 E HN 0.407 nan 8.360 nan 0.000 0.458 206 I N 0.101 120.677 120.570 0.011 0.000 2.353 206 I HA -0.239 3.169 4.170 -1.270 0.000 0.248 206 I C 2.368 178.502 176.117 0.028 0.000 1.119 206 I CA 0.773 62.076 61.300 0.005 0.000 1.417 206 I CB -0.234 37.739 38.000 -0.044 0.000 1.078 206 I HN 0.086 nan 8.210 nan 0.000 0.421 207 Y N 2.111 122.306 120.300 -0.175 0.000 2.207 207 Y HA -0.339 3.449 4.550 -1.271 0.000 0.287 207 Y C 2.914 178.817 175.900 0.005 0.000 1.156 207 Y CA 2.285 60.308 58.100 -0.128 0.000 1.182 207 Y CB -0.436 37.904 38.460 -0.201 0.000 0.979 207 Y HN 0.305 nan 8.280 nan 0.000 0.521 208 T N -1.778 112.851 114.554 0.124 0.000 2.821 208 T HA -0.203 3.385 4.350 -1.270 0.000 0.267 208 T C 1.883 176.579 174.700 -0.006 0.000 1.046 208 T CA 1.783 63.920 62.100 0.061 0.000 1.139 208 T CB -0.890 68.032 68.868 0.090 0.000 0.871 208 T HN 0.441 nan 8.240 nan 0.000 0.454 209 I N 1.188 121.769 120.570 0.019 0.000 2.614 209 I HA 0.002 3.410 4.170 -1.270 0.000 0.258 209 I C 1.351 177.473 176.117 0.008 0.000 1.189 209 I CA -0.193 61.125 61.300 0.029 0.000 1.462 209 I CB -0.522 37.523 38.000 0.075 0.000 1.092 209 I HN 0.361 nan 8.210 nan 0.000 0.442 210 C N 1.490 120.774 119.300 -0.027 0.000 2.480 210 C HA 0.424 4.122 4.460 -1.270 0.000 0.358 210 C C 1.096 175.981 174.990 -0.176 0.000 1.309 210 C CA -0.638 58.319 59.018 -0.102 0.000 2.465 210 C CB 0.467 28.164 27.740 -0.072 0.000 2.379 210 C HN 0.503 nan 8.230 nan 0.000 0.642 211 E N 0.089 120.158 120.200 -0.218 0.000 2.044 211 E HA 0.515 4.102 4.350 -1.270 0.000 0.282 211 E C -0.143 176.359 176.600 -0.163 0.000 1.031 211 E CA 0.303 56.597 56.400 -0.177 0.000 0.824 211 E CB 0.258 29.857 29.700 -0.169 0.000 1.076 211 E HN 0.983 nan 8.360 nan 0.000 0.395 212 S N 2.985 118.603 115.700 -0.137 0.000 2.404 212 S HA 0.334 4.041 4.470 -1.270 0.000 0.309 212 S C 0.674 175.271 174.600 -0.005 0.000 1.076 212 S CA -0.629 57.529 58.200 -0.069 0.000 1.095 212 S CB -0.048 63.037 63.200 -0.191 0.000 0.972 212 S HN 0.603 nan 8.310 nan 0.000 0.484 213 N N 2.255 120.966 118.700 0.018 0.000 2.581 213 N HA 0.023 4.001 4.740 -1.270 0.000 0.230 213 N C 0.603 176.135 175.510 0.037 0.000 1.310 213 N CA 0.616 53.675 53.050 0.015 0.000 0.886 213 N CB -1.378 37.113 38.487 0.007 0.000 1.205 213 N HN 1.077 nan 8.380 nan 0.000 0.488 214 N N -2.374 116.359 118.700 0.055 0.000 2.708 214 N HA -0.245 3.732 4.740 -1.270 0.000 0.251 214 N C 0.095 175.645 175.510 0.066 0.000 1.123 214 N CA 1.620 54.709 53.050 0.064 0.000 0.739 214 N CB -2.407 36.103 38.487 0.039 0.000 1.113 214 N HN 1.046 nan 8.380 nan 0.000 0.561 215 E N 0.425 120.676 120.200 0.086 0.000 2.129 215 E HA 0.593 4.180 4.350 -1.270 0.000 0.268 215 E C -0.025 176.640 176.600 0.109 0.000 0.900 215 E CA -0.339 56.107 56.400 0.077 0.000 0.755 215 E CB 0.437 30.176 29.700 0.066 0.000 1.117 215 E HN 0.806 nan 8.360 nan 0.000 0.410 216 K N 0.985 121.425 120.400 0.067 0.000 2.319 216 K HA 0.345 3.903 4.320 -1.270 0.000 0.265 216 K C 0.131 176.761 176.600 0.050 0.000 1.000 216 K CA -0.171 56.147 56.287 0.051 0.000 0.943 216 K CB 0.861 33.349 32.500 -0.020 0.000 0.950 216 K HN 0.572 nan 8.250 nan 0.000 0.485 217 I N 1.989 122.583 120.570 0.040 0.000 2.416 217 I HA -0.022 3.385 4.170 -1.270 0.000 0.288 217 I C 0.142 176.275 176.117 0.027 0.000 1.051 217 I CA -0.135 61.190 61.300 0.042 0.000 1.375 217 I CB 0.655 38.688 38.000 0.056 0.000 1.407 217 I HN 0.553 nan 8.210 nan 0.000 0.516 218 D N 6.403 126.815 120.400 0.019 0.000 2.168 218 D HA 0.653 4.531 4.640 -1.270 0.000 0.246 218 D C -1.085 175.209 176.300 -0.010 0.000 1.050 218 D CA -0.248 53.755 54.000 0.004 0.000 0.857 218 D CB 1.476 42.263 40.800 -0.021 0.000 1.169 218 D HN 0.299 nan 8.370 nan 0.000 0.453 219 I N 1.570 122.147 120.570 0.011 0.000 2.775 219 I HA 0.385 3.793 4.170 -1.270 0.000 0.295 219 I C -1.428 174.702 176.117 0.023 0.000 1.287 219 I CA -0.129 61.164 61.300 -0.013 0.000 1.029 219 I CB 2.412 40.416 38.000 0.008 0.000 1.282 219 I HN 0.318 nan 8.210 nan 0.000 0.426 220 T N 7.519 122.054 114.554 -0.033 0.000 2.812 220 T HA 0.703 4.291 4.350 -1.270 0.000 0.282 220 T C -0.715 174.020 174.700 0.058 0.000 0.990 220 T CA -0.121 62.012 62.100 0.055 0.000 0.960 220 T CB 0.834 69.765 68.868 0.105 0.000 0.948 220 T HN 0.313 nan 8.240 nan 0.000 0.438 221 I N 3.070 123.654 120.570 0.024 0.000 2.378 221 I HA 0.319 3.727 4.170 -1.270 0.000 0.291 221 I C -0.127 175.928 176.117 -0.103 0.000 0.992 221 I CA -0.697 60.520 61.300 -0.137 0.000 1.154 221 I CB 1.639 39.417 38.000 -0.369 0.000 1.315 221 I HN 0.489 nan 8.210 nan 0.000 0.448 222 D N 5.666 126.016 120.400 -0.084 0.000 2.411 222 D HA 0.390 4.268 4.640 -1.270 0.000 0.225 222 D C 0.532 176.772 176.300 -0.099 0.000 1.156 222 D CA -0.401 53.596 54.000 -0.005 0.000 0.874 222 D CB 1.447 42.322 40.800 0.124 0.000 1.034 222 D HN 0.613 nan 8.370 nan 0.000 0.502 223 A N 3.666 126.437 122.820 -0.081 0.000 2.302 223 A HA 0.479 4.037 4.320 -1.270 0.000 0.219 223 A C 1.613 179.276 177.584 0.132 0.000 1.243 223 A CA 0.422 52.449 52.037 -0.016 0.000 0.856 223 A CB -0.719 18.302 19.000 0.035 0.000 0.893 223 A HN 1.334 nan 8.150 nan 0.000 0.491 224 A N -0.288 122.600 122.820 0.112 0.000 2.799 224 A HA -0.273 3.284 4.320 -1.270 0.000 0.274 224 A C 0.774 178.441 177.584 0.138 0.000 1.393 224 A CA 0.960 53.074 52.037 0.128 0.000 0.909 224 A CB -2.415 16.687 19.000 0.169 0.000 1.012 224 A HN 1.155 nan 8.150 nan 0.000 0.653 225 N N -2.662 116.124 118.700 0.143 0.000 2.725 225 N HA -0.173 3.804 4.740 -1.270 0.000 0.249 225 N C 0.462 176.097 175.510 0.209 0.000 1.103 225 N CA 1.770 54.923 53.050 0.172 0.000 0.707 225 N CB -1.490 37.083 38.487 0.144 0.000 1.043 225 N HN 1.769 nan 8.380 nan 0.000 0.553 226 G N -1.142 107.782 108.800 0.207 0.000 2.820 226 G HA2 0.477 3.674 3.960 -1.270 0.000 0.291 226 G HA3 0.477 3.674 3.960 -1.270 0.000 0.291 226 G C 0.964 175.958 174.900 0.157 0.000 1.323 226 G CA -0.004 45.213 45.100 0.195 0.000 1.055 226 G HN 0.102 nan 8.290 nan 0.000 0.520 227 V N 0.645 120.617 119.914 0.098 0.000 2.688 227 V HA -0.049 3.309 4.120 -1.270 0.000 0.256 227 V C 2.478 178.570 176.094 -0.002 0.000 1.084 227 V CA 2.886 65.173 62.300 -0.021 0.000 1.103 227 V CB -0.688 31.150 31.823 0.024 0.000 0.688 227 V HN 0.837 nan 8.190 nan 0.000 0.480 228 G N -0.998 107.874 108.800 0.120 0.000 2.470 228 G HA2 -0.153 3.045 3.960 -1.270 0.000 0.220 228 G HA3 -0.153 3.045 3.960 -1.270 0.000 0.220 228 G C 1.700 176.757 174.900 0.261 0.000 1.121 228 G CA 0.915 46.152 45.100 0.228 0.000 0.766 228 G HN 0.729 nan 8.290 nan 0.000 0.553 229 A N 1.988 124.909 122.820 0.168 0.000 1.851 229 A HA -0.012 3.546 4.320 -1.270 0.000 0.216 229 A C 1.006 178.642 177.584 0.088 0.000 1.195 229 A CA 1.977 54.097 52.037 0.138 0.000 0.622 229 A CB -1.193 17.918 19.000 0.185 0.000 0.831 229 A HN 0.404 nan 8.150 nan 0.000 0.444 230 P HA -0.138 nan 4.420 nan 0.000 0.221 230 P C 0.711 178.039 177.300 0.047 0.000 1.150 230 P CA 1.074 64.161 63.100 -0.022 0.000 0.800 230 P CB -0.043 31.503 31.700 -0.256 0.000 0.787 231 K N -0.197 120.244 120.400 0.069 0.000 2.031 231 K HA -0.047 3.510 4.320 -1.270 0.000 0.205 231 K C 2.143 178.780 176.600 0.062 0.000 1.049 231 K CA 0.615 56.994 56.287 0.153 0.000 0.939 231 K CB -1.332 31.273 32.500 0.174 0.000 0.717 231 K HN 0.163 nan 8.250 nan 0.000 0.438 232 I N 2.051 122.672 120.570 0.086 0.000 2.394 232 I HA -0.257 3.151 4.170 -1.270 0.000 0.251 232 I C 2.460 178.456 176.117 -0.202 0.000 1.136 232 I CA 1.412 62.702 61.300 -0.017 0.000 1.425 232 I CB -0.294 37.791 38.000 0.141 0.000 1.079 232 I HN 0.130 nan 8.210 nan 0.000 0.425 233 Q N 0.882 120.646 119.800 -0.060 0.000 2.061 233 Q HA -0.290 3.288 4.340 -1.270 0.000 0.204 233 Q C 2.173 178.157 176.000 -0.027 0.000 0.984 233 Q CA 2.420 58.239 55.803 0.026 0.000 0.846 233 Q CB -0.427 28.407 28.738 0.160 0.000 0.902 233 Q HN 0.574 nan 8.270 nan 0.000 0.421 234 E N -0.442 119.718 120.200 -0.066 0.000 2.051 234 E HA -0.165 3.423 4.350 -1.270 0.000 0.192 234 E C 1.785 178.228 176.600 -0.263 0.000 0.991 234 E CA 1.314 57.643 56.400 -0.118 0.000 0.799 234 E CB -0.645 28.994 29.700 -0.102 0.000 0.748 234 E HN 0.393 nan 8.360 nan 0.000 0.449 235 L N 0.308 121.203 121.223 -0.547 0.000 1.989 235 L HA -0.146 3.432 4.340 -1.270 0.000 0.211 235 L C 2.241 178.945 176.870 -0.277 0.000 1.071 235 L CA 1.874 56.359 54.840 -0.591 0.000 0.749 235 L CB -0.708 40.996 42.059 -0.591 0.000 0.890 235 L HN 0.315 nan 8.230 nan 0.000 0.431 236 L N -0.921 120.070 121.223 -0.386 0.000 2.027 236 L HA -0.157 3.421 4.340 -1.270 0.000 0.206 236 L C 2.586 179.408 176.870 -0.080 0.000 1.074 236 L CA 1.422 56.014 54.840 -0.413 0.000 0.745 236 L CB -0.672 40.760 42.059 -1.044 0.000 0.898 236 L HN 0.332 nan 8.230 nan 0.000 0.433 237 E N 0.532 120.765 120.200 0.055 0.000 2.047 237 E HA -0.175 3.412 4.350 -1.270 0.000 0.191 237 E C 2.116 178.766 176.600 0.084 0.000 0.987 237 E CA 1.366 57.908 56.400 0.237 0.000 0.799 237 E CB 0.150 30.008 29.700 0.263 0.000 0.752 237 E HN 0.120 nan 8.360 nan 0.000 0.449 238 K N -0.779 119.626 120.400 0.008 0.000 2.137 238 K HA -0.028 3.530 4.320 -1.270 0.000 0.202 238 K C 1.844 178.298 176.600 -0.244 0.000 1.052 238 K CA 1.009 57.213 56.287 -0.140 0.000 0.961 238 K CB -0.176 32.189 32.500 -0.224 0.000 0.741 238 K HN 0.296 nan 8.250 nan 0.000 0.452 239 Y N -0.209 120.020 120.300 -0.119 0.000 2.522 239 Y HA 0.230 4.018 4.550 -1.270 0.000 0.277 239 Y C 1.515 177.354 175.900 -0.102 0.000 1.104 239 Y CA 0.224 58.259 58.100 -0.108 0.000 1.260 239 Y CB 0.318 38.686 38.460 -0.153 0.000 1.151 239 Y HN -0.195 nan 8.280 nan 0.000 0.539 240 L N -0.291 120.943 121.223 0.019 0.000 3.141 240 L HA 0.226 3.804 4.340 -1.270 0.000 0.267 240 L C 1.284 178.130 176.870 -0.039 0.000 1.281 240 L CA -0.028 54.761 54.840 -0.084 0.000 1.037 240 L CB -0.143 41.740 42.059 -0.293 0.000 1.407 240 L HN 0.198 nan 8.230 nan 0.000 0.566 241 H N 1.202 120.249 119.070 -0.039 0.000 2.387 241 H HA -0.157 3.637 4.556 -1.270 0.000 0.299 241 H C 1.928 177.244 175.328 -0.020 0.000 1.099 241 H CA 1.884 57.932 56.048 -0.000 0.000 1.315 241 H CB 0.390 30.152 29.762 0.000 0.000 1.380 241 H HN 0.216 nan 8.280 nan 0.000 0.513 242 K N -0.474 119.881 120.400 -0.076 0.000 2.155 242 K HA -0.071 3.487 4.320 -1.270 0.000 0.203 242 K C 1.647 178.144 176.600 -0.171 0.000 1.052 242 K CA 1.436 57.652 56.287 -0.118 0.000 0.948 242 K CB 0.280 32.769 32.500 -0.019 0.000 0.728 242 K HN 0.372 nan 8.250 nan 0.000 0.448 243 E N -0.054 120.000 120.200 -0.244 0.000 2.307 243 E HA 0.179 3.767 4.350 -1.270 0.000 0.195 243 E C 0.134 176.602 176.600 -0.221 0.000 0.975 243 E CA 0.397 56.550 56.400 -0.412 0.000 0.878 243 E CB 0.544 29.831 29.700 -0.688 0.000 0.845 243 E HN 0.125 nan 8.360 nan 0.000 0.488 244 I N 0.525 120.997 120.570 -0.164 0.000 2.608 244 I HA 0.295 3.703 4.170 -1.270 0.000 0.295 244 I C -0.661 175.464 176.117 0.014 0.000 1.049 244 I CA -1.037 60.217 61.300 -0.077 0.000 1.063 244 I CB 2.207 40.124 38.000 -0.138 0.000 1.248 244 I HN -0.126 nan 8.210 nan 0.000 0.424 245 S N 5.318 121.049 115.700 0.052 0.000 2.503 245 S HA 0.893 4.601 4.470 -1.270 0.000 0.301 245 S C -0.750 173.950 174.600 0.166 0.000 1.087 245 S CA -0.558 57.672 58.200 0.050 0.000 1.042 245 S CB 1.760 64.942 63.200 -0.029 0.000 1.043 245 S HN 0.587 nan 8.310 nan 0.000 0.489 246 F N -1.306 118.613 119.950 -0.051 0.000 2.817 246 F HA 0.857 4.621 4.527 -1.271 0.000 0.317 246 F C -1.127 174.659 175.800 -0.023 0.000 1.168 246 F CA -0.688 57.285 58.000 -0.045 0.000 0.911 246 F CB 1.191 40.160 39.000 -0.053 0.000 1.337 246 F HN 0.799 nan 8.300 nan 0.000 0.464 247 T N -0.568 114.013 114.554 0.044 0.000 2.916 247 T HA 0.750 4.338 4.350 -1.270 0.000 0.305 247 T C -1.838 172.968 174.700 0.175 0.000 1.119 247 T CA -0.837 61.246 62.100 -0.029 0.000 1.008 247 T CB 1.466 70.318 68.868 -0.026 0.000 1.129 247 T HN 0.815 nan 8.240 nan 0.000 0.480 248 V N 2.411 122.414 119.914 0.148 0.000 2.487 248 V HA 0.741 4.099 4.120 -1.270 0.000 0.298 248 V C 0.191 176.338 176.094 0.088 0.000 1.028 248 V CA -0.739 61.644 62.300 0.139 0.000 0.860 248 V CB 1.430 33.360 31.823 0.179 0.000 0.991 248 V HN 1.074 nan 8.190 nan 0.000 0.427 249 V N 1.906 121.862 119.914 0.070 0.000 2.919 249 V HA 0.690 4.048 4.120 -1.270 0.000 0.316 249 V C 0.154 176.280 176.094 0.053 0.000 1.077 249 V CA -0.992 61.343 62.300 0.060 0.000 0.977 249 V CB 1.767 33.626 31.823 0.059 0.000 1.039 249 V HN 0.869 nan 8.190 nan 0.000 0.441 250 N N 1.983 120.714 118.700 0.051 0.000 2.708 250 N HA -0.141 3.837 4.740 -1.270 0.000 0.255 250 N C 0.656 176.223 175.510 0.096 0.000 1.046 250 N CA 1.071 54.157 53.050 0.060 0.000 0.715 250 N CB -1.030 37.481 38.487 0.040 0.000 0.895 250 N HN 1.349 nan 8.380 nan 0.000 0.545 251 G N -0.574 108.295 108.800 0.115 0.000 3.575 251 G HA2 0.037 3.235 3.960 -1.270 0.000 0.273 251 G HA3 0.037 3.235 3.960 -1.270 0.000 0.273 251 G C 0.173 175.202 174.900 0.216 0.000 1.053 251 G CA -0.222 44.983 45.100 0.174 0.000 0.803 251 G HN 0.208 nan 8.290 nan 0.000 0.528 252 D N 1.561 122.047 120.400 0.144 0.000 2.801 252 D HA 0.047 3.925 4.640 -1.270 0.000 0.232 252 D C 1.277 177.631 176.300 0.090 0.000 1.128 252 D CA -0.337 53.709 54.000 0.078 0.000 1.003 252 D CB 0.004 40.833 40.800 0.049 0.000 1.110 252 D HN 0.647 nan 8.370 nan 0.000 0.477 253 Y N -0.076 120.272 120.300 0.080 0.000 2.421 253 Y HA -0.017 3.771 4.550 -1.271 0.000 0.292 253 Y C 1.628 177.571 175.900 0.071 0.000 1.136 253 Y CA 0.632 58.782 58.100 0.083 0.000 1.255 253 Y CB -0.141 38.378 38.460 0.099 0.000 0.991 253 Y HN -0.136 nan 8.280 nan 0.000 0.552 254 K N 0.598 120.710 120.400 -0.479 0.000 2.504 254 K HA -0.009 3.549 4.320 -1.270 0.000 0.195 254 K C 0.083 176.618 176.600 -0.110 0.000 1.036 254 K CA 0.589 56.677 56.287 -0.331 0.000 0.984 254 K CB -0.018 32.235 32.500 -0.412 0.000 0.788 254 K HN 0.527 nan 8.250 nan 0.000 0.488 255 Q N 0.821 120.590 119.800 -0.052 0.000 2.721 255 Q HA 0.118 3.696 4.340 -1.270 0.000 0.257 255 Q C -2.000 174.016 176.000 0.027 0.000 1.070 255 Q CA -1.638 54.159 55.803 -0.010 0.000 0.910 255 Q CB 1.154 29.890 28.738 -0.004 0.000 1.163 255 Q HN 0.024 nan 8.270 nan 0.000 0.501 256 P HA -0.238 nan 4.420 nan 0.000 0.218 256 P C 0.270 177.593 177.300 0.037 0.000 1.146 256 P CA 1.315 64.448 63.100 0.056 0.000 0.813 256 P CB 0.299 32.032 31.700 0.054 0.000 0.778 257 N N -0.372 118.333 118.700 0.008 0.000 2.381 257 N HA -0.024 3.953 4.740 -1.270 0.000 0.182 257 N C 1.634 177.128 175.510 -0.027 0.000 1.025 257 N CA 0.265 53.300 53.050 -0.025 0.000 0.888 257 N CB -0.328 38.125 38.487 -0.056 0.000 0.965 257 N HN 0.199 nan 8.380 nan 0.000 0.438 258 L N 0.731 121.970 121.223 0.025 0.000 2.558 258 L HA 0.102 3.680 4.340 -1.270 0.000 0.225 258 L C 0.277 177.235 176.870 0.146 0.000 1.128 258 L CA -0.343 54.556 54.840 0.099 0.000 0.868 258 L CB -0.040 42.093 42.059 0.123 0.000 1.006 258 L HN 0.216 nan 8.230 nan 0.000 0.454 259 L N 1.926 123.214 121.223 0.108 0.000 2.628 259 L HA -0.057 3.521 4.340 -1.270 0.000 0.274 259 L C 0.758 177.705 176.870 0.128 0.000 1.209 259 L CA 0.671 55.583 54.840 0.120 0.000 0.930 259 L CB -0.272 41.849 42.059 0.103 0.000 1.183 259 L HN 0.282 nan 8.230 nan 0.000 0.492 260 N N 3.295 122.073 118.700 0.130 0.000 2.708 260 N HA -0.340 3.638 4.740 -1.270 0.000 0.251 260 N C -0.206 175.369 175.510 0.108 0.000 1.123 260 N CA 1.317 54.437 53.050 0.116 0.000 0.739 260 N CB -1.715 36.855 38.487 0.138 0.000 1.113 260 N HN 0.644 nan 8.380 nan 0.000 0.561 261 F N 2.413 122.319 119.950 -0.074 0.000 2.462 261 F HA 0.108 3.872 4.527 -1.271 0.000 0.360 261 F C 0.325 175.957 175.800 -0.281 0.000 1.134 261 F CA -0.439 57.483 58.000 -0.130 0.000 1.148 261 F CB 0.300 39.251 39.000 -0.082 0.000 1.147 261 F HN -0.025 nan 8.300 nan 0.000 0.550 262 D N 3.539 123.572 120.400 -0.611 0.000 2.751 262 D HA -0.249 3.628 4.640 -1.270 0.000 0.233 262 D C -0.473 175.040 176.300 -1.312 0.000 1.149 262 D CA 1.303 54.470 54.000 -1.389 0.000 0.682 262 D CB -1.318 38.795 40.800 -1.146 0.000 1.068 262 D HN 0.619 nan 8.370 nan 0.000 0.429 263 C N -4.230 114.625 119.300 -0.742 0.000 3.295 263 C HA 0.897 4.595 4.460 -1.270 0.000 0.341 263 C C 0.493 175.502 174.990 0.031 0.000 1.418 263 C CA 0.220 59.096 59.018 -0.236 0.000 1.240 263 C CB 1.719 29.371 27.740 -0.147 0.000 1.562 263 C HN 1.232 nan 8.230 nan 0.000 0.457 264 G N -0.392 108.488 108.800 0.134 0.000 2.619 264 G HA2 0.464 3.662 3.960 -1.270 0.000 0.686 264 G HA3 0.464 3.662 3.960 -1.270 0.000 0.686 264 G C 0.494 175.528 174.900 0.224 0.000 1.256 264 G CA 0.305 45.519 45.100 0.190 0.000 0.826 264 G HN 2.495 nan 8.290 nan 0.000 0.619 265 A N -0.200 122.755 122.820 0.225 0.000 1.883 265 A HA -0.028 3.530 4.320 -1.270 0.000 0.217 265 A C 2.048 179.711 177.584 0.132 0.000 1.186 265 A CA 2.565 54.726 52.037 0.207 0.000 0.624 265 A CB -0.526 18.598 19.000 0.206 0.000 0.822 265 A HN 0.805 nan 8.150 nan 0.000 0.444 266 D N -1.680 118.777 120.400 0.094 0.000 2.104 266 D HA -0.192 3.686 4.640 -1.270 0.000 0.194 266 D C 1.754 178.094 176.300 0.067 0.000 0.994 266 D CA 1.870 55.891 54.000 0.036 0.000 0.830 266 D CB -0.381 40.425 40.800 0.010 0.000 0.959 266 D HN 0.619 nan 8.370 nan 0.000 0.452 267 Y N 2.320 122.620 120.300 0.001 0.000 2.128 267 Y HA -0.271 3.518 4.550 -1.268 0.000 0.284 267 Y C 2.366 178.192 175.900 -0.125 0.000 1.154 267 Y CA 1.881 59.953 58.100 -0.047 0.000 1.149 267 Y CB -0.465 37.969 38.460 -0.045 0.000 0.976 267 Y HN -0.092 nan 8.280 nan 0.000 0.505 268 V N -0.736 119.098 119.914 -0.132 0.000 2.427 268 V HA -0.165 3.193 4.120 -1.270 0.000 0.248 268 V C 2.241 178.165 176.094 -0.283 0.000 1.051 268 V CA 2.187 64.281 62.300 -0.344 0.000 1.048 268 V CB -1.001 30.696 31.823 -0.211 0.000 0.666 268 V HN 0.305 nan 8.190 nan 0.000 0.456 269 K N 1.207 121.551 120.400 -0.094 0.000 2.097 269 K HA -0.081 3.477 4.320 -1.270 0.000 0.205 269 K C 2.011 178.546 176.600 -0.108 0.000 1.050 269 K CA 2.360 58.624 56.287 -0.038 0.000 0.938 269 K CB -0.966 31.550 32.500 0.026 0.000 0.718 269 K HN 0.553 nan 8.250 nan 0.000 0.442 270 T N 0.217 114.674 114.554 -0.163 0.000 2.894 270 T HA 0.029 3.617 4.350 -1.270 0.000 0.258 270 T C 1.049 175.587 174.700 -0.270 0.000 1.043 270 T CA 1.529 63.528 62.100 -0.169 0.000 1.141 270 T CB -0.198 68.597 68.868 -0.122 0.000 0.873 270 T HN 0.352 nan 8.240 nan 0.000 0.449 271 N N 0.634 119.053 118.700 -0.469 0.000 2.325 271 N HA 0.143 4.121 4.740 -1.270 0.000 0.182 271 N C -0.255 174.887 175.510 -0.613 0.000 1.088 271 N CA -0.075 52.648 53.050 -0.545 0.000 0.879 271 N CB 0.075 38.088 38.487 -0.789 0.000 0.983 271 N HN 0.249 nan 8.380 nan 0.000 0.471 272 Q N 0.305 119.668 119.800 -0.729 0.000 2.443 272 Q HA -0.234 3.344 4.340 -1.270 0.000 0.337 272 Q C -1.011 174.051 176.000 -1.562 0.000 1.401 272 Q CA 0.861 56.007 55.803 -1.094 0.000 0.943 272 Q CB -1.461 26.995 28.738 -0.470 0.000 1.177 272 Q HN 0.559 nan 8.270 nan 0.000 0.394 273 K N -1.346 118.059 120.400 -1.657 0.000 2.551 273 K HA 0.583 4.141 4.320 -1.270 0.000 0.269 273 K C -0.655 175.524 176.600 -0.701 0.000 0.949 273 K CA -1.164 54.519 56.287 -1.007 0.000 0.849 273 K CB 1.173 33.365 32.500 -0.513 0.000 1.411 273 K HN 0.045 nan 8.250 nan 0.000 0.432 274 L N 3.217 124.314 121.223 -0.210 0.000 2.584 274 L HA 0.142 3.720 4.340 -1.270 0.000 0.272 274 L C -1.597 175.231 176.870 -0.070 0.000 1.195 274 L CA -1.372 53.416 54.840 -0.087 0.000 0.920 274 L CB -0.189 41.853 42.059 -0.027 0.000 1.173 274 L HN 0.548 nan 8.230 nan 0.000 0.489 275 P HA -0.015 nan 4.420 nan 0.000 0.271 275 P C -0.605 176.641 177.300 -0.089 0.000 1.244 275 P CA -0.490 62.626 63.100 0.026 0.000 0.793 275 P CB 0.699 32.423 31.700 0.041 0.000 0.984 276 K N 1.119 121.390 120.400 -0.215 0.000 2.469 276 K HA -0.087 3.470 4.320 -1.270 0.000 0.274 276 K C 0.372 176.892 176.600 -0.133 0.000 0.983 276 K CA 0.497 56.649 56.287 -0.224 0.000 0.974 276 K CB -0.392 31.862 32.500 -0.409 0.000 0.913 276 K HN 0.421 nan 8.250 nan 0.000 0.493 277 N N -0.158 118.487 118.700 -0.091 0.000 2.965 277 N HA -0.184 3.794 4.740 -1.270 0.000 0.232 277 N C -1.242 174.258 175.510 -0.015 0.000 0.913 277 N CA 0.962 53.987 53.050 -0.041 0.000 0.981 277 N CB -0.907 37.563 38.487 -0.028 0.000 1.077 277 N HN 0.195 nan 8.380 nan 0.000 0.589 278 V N 1.549 121.441 119.914 -0.037 0.000 2.385 278 V HA 0.201 3.559 4.120 -1.270 0.000 0.269 278 V C 0.401 176.475 176.094 -0.034 0.000 1.043 278 V CA -0.488 61.783 62.300 -0.049 0.000 0.906 278 V CB 1.475 33.193 31.823 -0.175 0.000 0.995 278 V HN -0.005 nan 8.190 nan 0.000 0.467 279 K N 7.074 127.499 120.400 0.042 0.000 2.250 279 K HA 0.276 3.834 4.320 -1.270 0.000 0.285 279 K C -2.233 174.438 176.600 0.119 0.000 1.097 279 K CA -1.881 54.444 56.287 0.065 0.000 0.913 279 K CB 0.647 33.193 32.500 0.077 0.000 1.179 279 K HN 0.451 nan 8.250 nan 0.000 0.462 280 P HA -0.061 nan 4.420 nan 0.000 0.255 280 P C -0.467 176.938 177.300 0.174 0.000 1.173 280 P CA 0.084 63.259 63.100 0.126 0.000 0.780 280 P CB 0.326 32.067 31.700 0.068 0.000 0.758 281 V N 4.851 124.929 119.914 0.273 0.000 2.443 281 V HA 0.172 3.529 4.120 -1.270 0.000 0.293 281 V C 0.706 176.905 176.094 0.176 0.000 1.021 281 V CA -0.869 61.538 62.300 0.178 0.000 0.848 281 V CB 1.111 33.015 31.823 0.135 0.000 0.998 281 V HN 0.491 nan 8.190 nan 0.000 0.424 282 N N 4.807 123.582 118.700 0.125 0.000 2.293 282 N HA -0.034 3.943 4.740 -1.270 0.000 0.253 282 N C 0.584 176.155 175.510 0.100 0.000 1.248 282 N CA 0.308 53.432 53.050 0.123 0.000 0.845 282 N CB 0.039 38.575 38.487 0.082 0.000 1.073 282 N HN 0.741 nan 8.380 nan 0.000 0.464 283 N N 0.036 118.825 118.700 0.149 0.000 2.708 283 N HA -0.215 3.762 4.740 -1.270 0.000 0.251 283 N C -0.546 174.916 175.510 -0.081 0.000 1.123 283 N CA 1.126 54.181 53.050 0.009 0.000 0.739 283 N CB -0.651 37.806 38.487 -0.051 0.000 1.113 283 N HN 0.649 nan 8.380 nan 0.000 0.561 284 K N 1.069 121.442 120.400 -0.045 0.000 2.183 284 K HA 0.345 3.903 4.320 -1.270 0.000 0.274 284 K C -0.117 176.278 176.600 -0.342 0.000 1.009 284 K CA -0.654 55.498 56.287 -0.224 0.000 0.888 284 K CB 0.841 33.155 32.500 -0.311 0.000 1.078 284 K HN 0.039 nan 8.250 nan 0.000 0.459 285 L N 5.315 126.347 121.223 -0.317 0.000 2.360 285 L HA 0.231 3.809 4.340 -1.270 0.000 0.276 285 L C -1.538 175.066 176.870 -0.442 0.000 1.121 285 L CA 0.471 55.158 54.840 -0.255 0.000 0.845 285 L CB -0.023 41.970 42.059 -0.109 0.000 1.143 285 L HN 0.555 nan 8.230 nan 0.000 0.452 286 Y N 3.563 123.690 120.300 -0.288 0.000 2.509 286 Y HA 0.793 4.581 4.550 -1.271 0.000 0.341 286 Y C 0.092 175.626 175.900 -0.610 0.000 1.038 286 Y CA -0.650 57.171 58.100 -0.465 0.000 1.089 286 Y CB 2.028 40.080 38.460 -0.680 0.000 1.241 286 Y HN 0.705 nan 8.280 nan 0.000 0.468 287 A N 1.130 123.829 122.820 -0.203 0.000 2.427 287 A HA 0.756 4.314 4.320 -1.270 0.000 0.298 287 A C -1.260 176.341 177.584 0.029 0.000 1.036 287 A CA -0.671 51.319 52.037 -0.077 0.000 0.701 287 A CB 1.235 20.258 19.000 0.039 0.000 1.250 287 A HN 0.547 nan 8.150 nan 0.000 0.412 288 S N 1.486 117.333 115.700 0.245 0.000 2.454 288 S HA 0.710 4.418 4.470 -1.270 0.000 0.306 288 S C -0.609 174.224 174.600 0.388 0.000 1.100 288 S CA -0.262 58.106 58.200 0.280 0.000 1.087 288 S CB 0.490 63.945 63.200 0.425 0.000 1.019 288 S HN 0.518 nan 8.310 nan 0.000 0.480 289 F N 2.052 122.104 119.950 0.170 0.000 2.411 289 F HA 0.384 4.149 4.527 -1.271 0.000 0.324 289 F C 0.972 176.854 175.800 0.137 0.000 1.086 289 F CA -1.221 56.863 58.000 0.140 0.000 1.028 289 F CB 1.045 40.112 39.000 0.112 0.000 1.284 289 F HN 0.541 nan 8.300 nan 0.000 0.501 290 D N 0.315 120.905 120.400 0.317 0.000 2.529 290 D HA 0.189 4.067 4.640 -1.270 0.000 0.273 290 D C 1.123 177.552 176.300 0.215 0.000 1.197 290 D CA -0.360 53.774 54.000 0.222 0.000 1.070 290 D CB 0.462 41.350 40.800 0.147 0.000 1.134 290 D HN 0.577 nan 8.370 nan 0.000 0.590 291 G N -0.007 108.905 108.800 0.186 0.000 2.513 291 G HA2 -0.297 2.901 3.960 -1.270 0.000 0.219 291 G HA3 -0.297 2.901 3.960 -1.270 0.000 0.219 291 G C 0.875 175.855 174.900 0.134 0.000 1.160 291 G CA 1.536 46.733 45.100 0.163 0.000 0.767 291 G HN 0.748 nan 8.290 nan 0.000 0.571 292 D N -0.497 119.963 120.400 0.100 0.000 2.342 292 D HA 0.370 4.248 4.640 -1.270 0.000 0.221 292 D C 1.223 177.528 176.300 0.008 0.000 1.101 292 D CA 0.433 54.469 54.000 0.059 0.000 0.837 292 D CB -0.339 40.492 40.800 0.051 0.000 0.938 292 D HN 0.744 nan 8.370 nan 0.000 0.508 293 A N 1.862 124.689 122.820 0.011 0.000 2.791 293 A HA -0.180 3.377 4.320 -1.270 0.000 0.292 293 A C 0.465 177.967 177.584 -0.137 0.000 1.487 293 A CA 1.065 53.021 52.037 -0.135 0.000 0.760 293 A CB -2.293 16.537 19.000 -0.283 0.000 1.031 293 A HN 0.519 nan 8.150 nan 0.000 0.503 294 D N -1.450 118.931 120.400 -0.032 0.000 2.535 294 D HA 0.279 4.157 4.640 -1.270 0.000 0.229 294 D C 0.354 176.756 176.300 0.169 0.000 1.238 294 D CA 0.028 54.048 54.000 0.034 0.000 0.824 294 D CB 0.092 40.899 40.800 0.012 0.000 1.045 294 D HN 0.632 nan 8.370 nan 0.000 0.500 295 R N 0.058 120.629 120.500 0.118 0.000 2.564 295 R HA 0.554 4.132 4.340 -1.270 0.000 0.284 295 R C -1.793 174.635 176.300 0.214 0.000 1.031 295 R CA -0.985 55.228 56.100 0.187 0.000 0.904 295 R CB 2.297 32.678 30.300 0.134 0.000 1.199 295 R HN 0.046 nan 8.270 nan 0.000 0.443 296 L N 4.134 125.518 121.223 0.269 0.000 2.381 296 L HA 0.594 4.171 4.340 -1.270 0.000 0.274 296 L C -1.452 175.597 176.870 0.298 0.000 0.988 296 L CA -0.536 54.494 54.840 0.317 0.000 0.824 296 L CB 1.728 43.976 42.059 0.314 0.000 1.263 296 L HN 0.507 nan 8.230 nan 0.000 0.410 297 I N 4.690 125.447 120.570 0.312 0.000 2.478 297 I HA 0.360 3.768 4.170 -1.270 0.000 0.287 297 I C -0.521 175.794 176.117 0.330 0.000 1.042 297 I CA -0.237 61.243 61.300 0.299 0.000 1.067 297 I CB 1.521 39.704 38.000 0.305 0.000 1.233 297 I HN 0.627 nan 8.210 nan 0.000 0.431 298 C N 6.332 125.767 119.300 0.225 0.000 2.407 298 C HA 0.890 4.588 4.460 -1.270 0.000 0.366 298 C C -0.375 174.660 174.990 0.074 0.000 1.213 298 C CA -0.242 58.812 59.018 0.060 0.000 2.011 298 C CB 1.493 29.273 27.740 0.066 0.000 2.306 298 C HN 0.791 nan 8.230 nan 0.000 0.527 299 Y N -1.117 119.164 120.300 -0.031 0.000 2.814 299 Y HA 0.693 4.481 4.550 -1.270 0.000 0.348 299 Y C -1.052 174.835 175.900 -0.022 0.000 1.245 299 Y CA -1.647 56.304 58.100 -0.249 0.000 1.086 299 Y CB 0.512 38.643 38.460 -0.549 0.000 1.373 299 Y HN 0.809 nan 8.280 nan 0.000 0.451 300 Y N -0.746 119.466 120.300 -0.146 0.000 2.677 300 Y HA 0.602 4.391 4.550 -1.270 0.000 0.334 300 Y C -1.785 174.066 175.900 -0.080 0.000 1.196 300 Y CA -1.388 56.710 58.100 -0.003 0.000 1.059 300 Y CB 1.750 40.158 38.460 -0.087 0.000 1.315 300 Y HN 0.914 nan 8.280 nan 0.000 0.455 301 Q N 2.900 122.784 119.800 0.140 0.000 2.293 301 Q HA 0.424 4.002 4.340 -1.270 0.000 0.261 301 Q C -0.900 175.168 176.000 0.114 0.000 0.960 301 Q CA -0.941 54.869 55.803 0.012 0.000 0.882 301 Q CB 1.209 30.017 28.738 0.117 0.000 1.275 301 Q HN 0.844 nan 8.270 nan 0.000 0.445 302 N N 2.606 121.300 118.700 -0.010 0.000 2.418 302 N HA 0.088 4.066 4.740 -1.270 0.000 0.283 302 N C 0.064 175.617 175.510 0.072 0.000 1.267 302 N CA -0.357 52.752 53.050 0.098 0.000 0.975 302 N CB 0.227 38.734 38.487 0.034 0.000 1.167 302 N HN 0.556 nan 8.380 nan 0.000 0.581 303 N N -0.725 118.015 118.700 0.066 0.000 2.573 303 N HA -0.065 3.913 4.740 -1.270 0.000 0.187 303 N C -0.526 175.001 175.510 0.028 0.000 1.107 303 N CA 0.685 53.762 53.050 0.044 0.000 0.918 303 N CB -0.187 38.322 38.487 0.036 0.000 0.966 303 N HN 0.535 nan 8.380 nan 0.000 0.448 304 D N -0.062 120.350 120.400 0.020 0.000 2.424 304 D HA 0.118 3.996 4.640 -1.270 0.000 0.220 304 D C 0.052 176.358 176.300 0.010 0.000 1.150 304 D CA -0.177 53.830 54.000 0.011 0.000 0.831 304 D CB 0.068 40.870 40.800 0.002 0.000 0.981 304 D HN -0.013 nan 8.370 nan 0.000 0.500 305 N N 0.604 119.315 118.700 0.018 0.000 2.828 305 N HA -0.213 3.765 4.740 -1.270 0.000 0.248 305 N C 0.269 175.788 175.510 0.015 0.000 1.044 305 N CA 0.683 53.747 53.050 0.023 0.000 0.851 305 N CB -1.167 37.332 38.487 0.020 0.000 1.136 305 N HN 0.389 nan 8.380 nan 0.000 0.572 306 K N 0.384 120.780 120.400 -0.006 0.000 2.218 306 K HA 0.223 3.781 4.320 -1.270 0.000 0.276 306 K C -0.287 176.291 176.600 -0.037 0.000 1.022 306 K CA -0.503 55.776 56.287 -0.014 0.000 0.946 306 K CB 0.330 32.807 32.500 -0.038 0.000 1.000 306 K HN 0.020 nan 8.250 nan 0.000 0.468 307 F N 4.562 124.421 119.950 -0.152 0.000 2.472 307 F HA 0.191 3.955 4.527 -1.272 0.000 0.364 307 F C -0.453 175.192 175.800 -0.258 0.000 1.090 307 F CA -0.215 57.670 58.000 -0.190 0.000 1.188 307 F CB 0.564 39.451 39.000 -0.189 0.000 1.105 307 F HN 0.284 nan 8.300 nan 0.000 0.536 308 K N 8.162 128.027 120.400 -0.892 0.000 2.389 308 K HA 0.278 3.835 4.320 -1.270 0.000 0.261 308 K C -1.066 175.025 176.600 -0.849 0.000 1.014 308 K CA -0.833 54.967 56.287 -0.812 0.000 0.920 308 K CB 1.551 33.343 32.500 -1.179 0.000 1.149 308 K HN 0.661 nan 8.250 nan 0.000 0.444 309 L N 3.793 124.764 121.223 -0.421 0.000 2.410 309 L HA 0.213 3.791 4.340 -1.270 0.000 0.273 309 L C -0.515 176.228 176.870 -0.211 0.000 1.152 309 L CA 0.238 54.980 54.840 -0.163 0.000 0.855 309 L CB 0.221 42.375 42.059 0.159 0.000 1.129 309 L HN 0.531 nan 8.230 nan 0.000 0.463 310 L N 5.604 126.721 121.223 -0.178 0.000 2.502 310 L HA 0.320 3.897 4.340 -1.270 0.000 0.247 310 L C -0.416 176.413 176.870 -0.069 0.000 1.180 310 L CA -0.804 53.853 54.840 -0.305 0.000 0.956 310 L CB 0.432 42.117 42.059 -0.622 0.000 1.282 310 L HN 0.698 nan 8.230 nan 0.000 0.470 311 D N 0.560 120.962 120.400 0.003 0.000 2.425 311 D HA 0.089 3.967 4.640 -1.270 0.000 0.274 311 D C 1.507 177.859 176.300 0.086 0.000 1.242 311 D CA 0.031 54.084 54.000 0.089 0.000 1.060 311 D CB 0.506 41.373 40.800 0.112 0.000 1.112 311 D HN 0.174 nan 8.370 nan 0.000 0.561 312 G N -0.971 107.911 108.800 0.136 0.000 2.469 312 G HA2 -0.279 2.919 3.960 -1.270 0.000 0.220 312 G HA3 -0.279 2.919 3.960 -1.270 0.000 0.220 312 G C 1.034 175.943 174.900 0.016 0.000 1.136 312 G CA 0.945 46.133 45.100 0.146 0.000 0.759 312 G HN 0.555 nan 8.290 nan 0.000 0.562 313 D N -0.046 120.411 120.400 0.094 0.000 2.289 313 D HA 0.005 3.883 4.640 -1.270 0.000 0.207 313 D C 2.292 178.672 176.300 0.134 0.000 0.966 313 D CA 0.363 54.426 54.000 0.105 0.000 0.868 313 D CB 0.059 40.950 40.800 0.152 0.000 0.943 313 D HN 0.148 nan 8.370 nan 0.000 0.514 314 K N 0.791 121.269 120.400 0.130 0.000 2.155 314 K HA 0.016 3.574 4.320 -1.270 0.000 0.203 314 K C 2.297 179.051 176.600 0.257 0.000 1.052 314 K CA 0.198 56.600 56.287 0.192 0.000 0.948 314 K CB -0.127 32.328 32.500 -0.075 0.000 0.728 314 K HN 0.248 nan 8.250 nan 0.000 0.448 315 L N 0.978 122.166 121.223 -0.059 0.000 2.023 315 L HA -0.166 3.411 4.340 -1.270 0.000 0.205 315 L C 2.631 178.969 176.870 -0.887 0.000 1.073 315 L CA 1.552 56.055 54.840 -0.561 0.000 0.745 315 L CB -0.799 40.779 42.059 -0.801 0.000 0.900 315 L HN 0.183 nan 8.230 nan 0.000 0.435 316 S N -0.547 114.751 115.700 -0.670 0.000 2.368 316 S HA -0.209 3.499 4.470 -1.270 0.000 0.225 316 S C 2.040 176.601 174.600 -0.066 0.000 1.030 316 S CA 1.693 59.720 58.200 -0.287 0.000 0.999 316 S CB -1.130 62.069 63.200 -0.002 0.000 0.844 316 S HN 0.583 nan 8.310 nan 0.000 0.459 317 T N 0.257 114.820 114.554 0.015 0.000 2.915 317 T HA 0.072 3.660 4.350 -1.270 0.000 0.269 317 T C 1.710 176.476 174.700 0.110 0.000 1.071 317 T CA 0.991 63.196 62.100 0.176 0.000 1.132 317 T CB -0.642 68.439 68.868 0.354 0.000 0.878 317 T HN 0.303 nan 8.240 nan 0.000 0.479 318 L N 0.202 121.354 121.223 -0.117 0.000 2.027 318 L HA 0.229 3.806 4.340 -1.270 0.000 0.206 318 L C 2.283 179.078 176.870 -0.125 0.000 1.074 318 L CA 1.526 56.164 54.840 -0.337 0.000 0.745 318 L CB -0.808 40.674 42.059 -0.962 0.000 0.898 318 L HN 0.317 nan 8.230 nan 0.000 0.433 319 F N -0.437 119.437 119.950 -0.128 0.000 2.171 319 F HA -0.210 3.555 4.527 -1.269 0.000 0.300 319 F C 2.470 178.238 175.800 -0.054 0.000 1.090 319 F CA 0.409 58.367 58.000 -0.070 0.000 1.293 319 F CB -0.503 38.519 39.000 0.036 0.000 1.013 319 F HN 0.278 nan 8.300 nan 0.000 0.486 320 A N 0.225 123.125 122.820 0.133 0.000 1.898 320 A HA -0.169 3.389 4.320 -1.270 0.000 0.216 320 A C 1.994 179.554 177.584 -0.040 0.000 1.181 320 A CA 1.275 53.315 52.037 0.006 0.000 0.620 320 A CB -0.871 18.138 19.000 0.014 0.000 0.819 320 A HN 0.350 nan 8.150 nan 0.000 0.442 321 L N -1.330 119.921 121.223 0.047 0.000 2.017 321 L HA -0.081 3.496 4.340 -1.270 0.000 0.208 321 L C 2.182 179.057 176.870 0.008 0.000 1.073 321 L CA 2.349 57.215 54.840 0.043 0.000 0.745 321 L CB -0.871 41.264 42.059 0.128 0.000 0.894 321 L HN 0.422 nan 8.230 nan 0.000 0.432 322 F N -0.044 119.829 119.950 -0.128 0.000 2.069 322 F HA -0.260 3.505 4.527 -1.271 0.000 0.298 322 F C 2.099 177.723 175.800 -0.294 0.000 1.113 322 F CA 2.112 60.002 58.000 -0.183 0.000 1.214 322 F CB -0.596 38.269 39.000 -0.225 0.000 0.978 322 F HN 0.075 nan 8.300 nan 0.000 0.474 323 L N 0.065 121.020 121.223 -0.446 0.000 2.042 323 L HA -0.277 3.300 4.340 -1.270 0.000 0.210 323 L C 2.683 179.046 176.870 -0.846 0.000 1.076 323 L CA 2.012 56.407 54.840 -0.743 0.000 0.749 323 L CB -0.937 40.754 42.059 -0.613 0.000 0.893 323 L HN 0.344 nan 8.230 nan 0.000 0.432 324 Q N -0.633 118.828 119.800 -0.566 0.000 2.167 324 Q HA -0.225 3.353 4.340 -1.270 0.000 0.202 324 Q C 2.262 178.130 176.000 -0.221 0.000 0.970 324 Q CA 1.158 56.717 55.803 -0.407 0.000 0.855 324 Q CB 0.126 28.730 28.738 -0.222 0.000 0.911 324 Q HN 0.446 nan 8.270 nan 0.000 0.438 325 Q N 0.186 119.860 119.800 -0.210 0.000 2.119 325 Q HA -0.094 3.484 4.340 -1.270 0.000 0.201 325 Q C 2.167 178.104 176.000 -0.105 0.000 0.972 325 Q CA 0.977 56.717 55.803 -0.104 0.000 0.847 325 Q CB -0.065 28.652 28.738 -0.035 0.000 0.903 325 Q HN 0.473 nan 8.270 nan 0.000 0.433 326 L N -0.812 120.254 121.223 -0.263 0.000 2.093 326 L HA -0.092 3.485 4.340 -1.270 0.000 0.208 326 L C 2.301 179.228 176.870 0.094 0.000 1.085 326 L CA 0.900 55.633 54.840 -0.178 0.000 0.755 326 L CB -0.514 41.304 42.059 -0.402 0.000 0.904 326 L HN 0.166 nan 8.230 nan 0.000 0.435 327 F N 0.565 120.426 119.950 -0.147 0.000 2.171 327 F HA -0.234 3.531 4.527 -1.270 0.000 0.300 327 F C 2.452 178.218 175.800 -0.057 0.000 1.090 327 F CA 0.712 58.659 58.000 -0.088 0.000 1.293 327 F CB -0.139 38.810 39.000 -0.084 0.000 1.013 327 F HN 0.033 nan 8.300 nan 0.000 0.486 328 K N -0.197 120.287 120.400 0.140 0.000 2.280 328 K HA -0.173 3.384 4.320 -1.270 0.000 0.202 328 K C 1.665 178.293 176.600 0.047 0.000 1.047 328 K CA 0.782 57.109 56.287 0.067 0.000 0.942 328 K CB -0.097 32.424 32.500 0.035 0.000 0.739 328 K HN 0.259 nan 8.250 nan 0.000 0.457 329 Q N 0.276 120.108 119.800 0.053 0.000 2.408 329 Q HA 0.112 3.690 4.340 -1.270 0.000 0.205 329 Q C 0.952 176.978 176.000 0.044 0.000 0.919 329 Q CA 0.344 56.170 55.803 0.038 0.000 0.932 329 Q CB 0.141 28.900 28.738 0.035 0.000 1.058 329 Q HN 0.458 nan 8.270 nan 0.000 0.517 330 I N -1.749 118.853 120.570 0.053 0.000 2.437 330 I HA 0.400 3.808 4.170 -1.270 0.000 0.298 330 I C -0.166 175.965 176.117 0.025 0.000 0.984 330 I CA -1.002 60.336 61.300 0.064 0.000 1.214 330 I CB 1.362 39.389 38.000 0.044 0.000 1.365 330 I HN -0.307 nan 8.210 nan 0.000 0.469 331 D N 8.282 128.725 120.400 0.071 0.000 2.346 331 D HA 0.147 4.025 4.640 -1.270 0.000 0.260 331 D C -1.440 174.816 176.300 -0.073 0.000 1.252 331 D CA -2.206 51.807 54.000 0.022 0.000 0.895 331 D CB 1.352 42.204 40.800 0.086 0.000 1.097 331 D HN 0.430 nan 8.370 nan 0.000 0.489 332 P HA -0.120 nan 4.420 nan 0.000 0.223 332 P C 1.103 178.329 177.300 -0.122 0.000 1.151 332 P CA 0.915 63.936 63.100 -0.131 0.000 0.787 332 P CB -0.006 31.637 31.700 -0.096 0.000 0.788 333 T N -3.545 110.957 114.554 -0.086 0.000 3.055 333 T HA 0.041 3.629 4.350 -1.270 0.000 0.265 333 T C 1.659 176.299 174.700 -0.099 0.000 1.111 333 T CA 0.660 62.716 62.100 -0.073 0.000 1.118 333 T CB -0.310 68.534 68.868 -0.039 0.000 0.909 333 T HN 0.003 nan 8.240 nan 0.000 0.501 334 K N 0.127 120.437 120.400 -0.150 0.000 2.244 334 K HA 0.415 3.973 4.320 -1.270 0.000 0.200 334 K C 0.303 176.647 176.600 -0.427 0.000 1.052 334 K CA 0.100 56.239 56.287 -0.248 0.000 0.980 334 K CB 0.254 32.616 32.500 -0.229 0.000 0.838 334 K HN 0.446 nan 8.250 nan 0.000 0.481 335 I N 0.707 121.009 120.570 -0.447 0.000 2.610 335 I HA 0.111 3.518 4.170 -1.270 0.000 0.289 335 I C -1.419 174.512 176.117 -0.309 0.000 1.163 335 I CA -0.721 60.328 61.300 -0.419 0.000 1.044 335 I CB 2.042 39.687 38.000 -0.593 0.000 1.251 335 I HN 0.068 nan 8.210 nan 0.000 0.424 336 S N 7.965 123.527 115.700 -0.229 0.000 2.438 336 S HA 0.867 4.575 4.470 -1.270 0.000 0.316 336 S C -0.957 173.531 174.600 -0.187 0.000 1.084 336 S CA -0.577 57.506 58.200 -0.196 0.000 1.107 336 S CB 0.483 63.609 63.200 -0.124 0.000 0.981 336 S HN 0.571 nan 8.310 nan 0.000 0.466 337 L N 4.164 125.224 121.223 -0.271 0.000 2.410 337 L HA 0.580 4.157 4.340 -1.270 0.000 0.270 337 L C -0.095 176.755 176.870 -0.033 0.000 0.983 337 L CA -0.781 53.946 54.840 -0.189 0.000 0.822 337 L CB 2.003 43.859 42.059 -0.339 0.000 1.285 337 L HN 0.891 nan 8.230 nan 0.000 0.409 338 N N 3.002 121.783 118.700 0.134 0.000 2.432 338 N HA 0.823 4.801 4.740 -1.270 0.000 0.292 338 N C -1.263 174.409 175.510 0.270 0.000 1.193 338 N CA -0.890 52.301 53.050 0.235 0.000 0.878 338 N CB 2.600 41.210 38.487 0.205 0.000 1.252 338 N HN 0.386 nan 8.380 nan 0.000 0.520 339 I N -0.552 120.120 120.570 0.170 0.000 2.730 339 I HA 0.522 3.929 4.170 -1.270 0.000 0.298 339 I C -0.127 175.791 176.117 -0.332 0.000 1.089 339 I CA -0.951 60.316 61.300 -0.056 0.000 1.041 339 I CB 2.366 40.271 38.000 -0.158 0.000 1.235 339 I HN 0.758 nan 8.210 nan 0.000 0.423 340 G N 3.597 111.931 108.800 -0.777 0.000 2.620 340 G HA2 0.675 3.873 3.960 -1.270 0.000 0.301 340 G HA3 0.675 3.873 3.960 -1.270 0.000 0.301 340 G C -1.657 172.830 174.900 -0.689 0.000 1.347 340 G CA -0.474 43.762 45.100 -1.440 0.000 0.971 340 G HN 0.306 nan 8.290 nan 0.000 0.488 341 V N 1.223 120.887 119.914 -0.416 0.000 2.448 341 V HA 0.534 3.892 4.120 -1.270 0.000 0.295 341 V C -0.210 175.857 176.094 -0.045 0.000 1.025 341 V CA -0.660 61.561 62.300 -0.132 0.000 0.859 341 V CB 1.503 33.295 31.823 -0.053 0.000 0.988 341 V HN 0.596 nan 8.190 nan 0.000 0.431 342 V N 5.686 125.647 119.914 0.078 0.000 2.459 342 V HA 0.619 3.977 4.120 -1.270 0.000 0.295 342 V C -0.199 175.999 176.094 0.174 0.000 1.029 342 V CA -0.498 61.879 62.300 0.129 0.000 0.874 342 V CB 1.458 33.381 31.823 0.167 0.000 0.985 342 V HN 1.021 nan 8.190 nan 0.000 0.438 343 Q N 1.899 121.775 119.800 0.127 0.000 2.882 343 Q HA 0.771 4.348 4.340 -1.270 0.000 0.315 343 Q C -0.604 175.452 176.000 0.094 0.000 1.004 343 Q CA -1.030 54.852 55.803 0.133 0.000 0.777 343 Q CB 2.213 31.006 28.738 0.092 0.000 1.506 343 Q HN 0.793 nan 8.270 nan 0.000 0.489 344 T N -3.588 111.020 114.554 0.090 0.000 2.883 344 T HA 0.640 4.228 4.350 -1.270 0.000 0.284 344 T C 0.656 175.303 174.700 -0.088 0.000 1.041 344 T CA -0.232 61.893 62.100 0.041 0.000 1.007 344 T CB 1.266 70.236 68.868 0.170 0.000 1.220 344 T HN 0.653 nan 8.240 nan 0.000 0.552 345 A N -0.644 121.991 122.820 -0.310 0.000 2.178 345 A HA 0.068 3.626 4.320 -1.270 0.000 0.218 345 A C 1.586 178.842 177.584 -0.547 0.000 1.157 345 A CA 0.871 52.508 52.037 -0.666 0.000 0.689 345 A CB -1.320 16.735 19.000 -1.575 0.000 0.787 345 A HN 0.848 nan 8.150 nan 0.000 0.465 346 Y N -0.163 120.061 120.300 -0.125 0.000 2.583 346 Y HA 0.300 4.088 4.550 -1.269 0.000 0.293 346 Y C 1.609 177.340 175.900 -0.282 0.000 1.157 346 Y CA 0.001 57.950 58.100 -0.253 0.000 1.315 346 Y CB -0.229 38.208 38.460 -0.038 0.000 1.021 346 Y HN 0.319 nan 8.280 nan 0.000 0.536 347 A N 0.923 123.725 122.820 -0.031 0.000 2.462 347 A HA 0.065 3.622 4.320 -1.270 0.000 0.243 347 A C 0.059 177.662 177.584 0.032 0.000 1.076 347 A CA -0.465 51.593 52.037 0.036 0.000 0.773 347 A CB -0.212 18.817 19.000 0.048 0.000 1.010 347 A HN 0.471 nan 8.150 nan 0.000 0.493 348 N N 1.461 120.235 118.700 0.124 0.000 2.412 348 N HA 0.208 4.186 4.740 -1.270 0.000 0.254 348 N C 1.490 177.063 175.510 0.105 0.000 1.232 348 N CA 1.079 54.239 53.050 0.184 0.000 0.880 348 N CB 0.731 39.346 38.487 0.213 0.000 1.076 348 N HN 0.612 nan 8.380 nan 0.000 0.458 349 G N 1.309 110.185 108.800 0.127 0.000 2.450 349 G HA2 -0.240 2.958 3.960 -1.270 0.000 0.220 349 G HA3 -0.240 2.958 3.960 -1.270 0.000 0.220 349 G C 1.288 176.202 174.900 0.023 0.000 1.130 349 G CA 0.800 45.943 45.100 0.071 0.000 0.760 349 G HN 0.595 nan 8.290 nan 0.000 0.557 350 S N 0.831 116.555 115.700 0.039 0.000 2.402 350 S HA -0.137 3.571 4.470 -1.270 0.000 0.229 350 S C 2.748 177.157 174.600 -0.318 0.000 1.021 350 S CA 1.497 59.692 58.200 -0.008 0.000 0.974 350 S CB -0.224 63.072 63.200 0.160 0.000 0.800 350 S HN 0.692 nan 8.310 nan 0.000 0.484 351 S N 1.612 117.058 115.700 -0.424 0.000 2.368 351 S HA -0.120 3.588 4.470 -1.270 0.000 0.224 351 S C 1.892 176.308 174.600 -0.306 0.000 1.029 351 S CA 1.572 59.317 58.200 -0.758 0.000 0.988 351 S CB -1.131 61.903 63.200 -0.278 0.000 0.838 351 S HN 0.447 nan 8.310 nan 0.000 0.462 352 T N 2.230 116.702 114.554 -0.138 0.000 2.708 352 T HA -0.053 3.535 4.350 -1.270 0.000 0.266 352 T C 1.799 176.466 174.700 -0.054 0.000 1.037 352 T CA 1.657 63.718 62.100 -0.064 0.000 1.146 352 T CB -0.353 68.495 68.868 -0.033 0.000 0.865 352 T HN 0.572 nan 8.240 nan 0.000 0.435 353 K N -0.083 120.288 120.400 -0.047 0.000 2.097 353 K HA -0.154 3.403 4.320 -1.270 0.000 0.206 353 K C 2.212 178.808 176.600 -0.008 0.000 1.049 353 K CA 1.121 57.397 56.287 -0.017 0.000 0.933 353 K CB -0.303 32.203 32.500 0.009 0.000 0.717 353 K HN 0.411 nan 8.250 nan 0.000 0.442 354 Y N 1.004 121.201 120.300 -0.172 0.000 2.145 354 Y HA -0.239 3.548 4.550 -1.272 0.000 0.286 354 Y C 1.784 177.632 175.900 -0.086 0.000 1.145 354 Y CA 1.591 59.611 58.100 -0.132 0.000 1.148 354 Y CB -0.361 37.933 38.460 -0.277 0.000 0.981 354 Y HN -0.154 nan 8.280 nan 0.000 0.507 355 V N 0.963 120.803 119.914 -0.123 0.000 2.295 355 V HA -0.292 3.065 4.120 -1.270 0.000 0.246 355 V C 2.193 178.184 176.094 -0.171 0.000 1.049 355 V CA 2.407 64.599 62.300 -0.179 0.000 1.024 355 V CB -0.640 31.147 31.823 -0.059 0.000 0.648 355 V HN 0.458 nan 8.190 nan 0.000 0.447 356 E N -0.079 120.058 120.200 -0.105 0.000 2.072 356 E HA -0.193 3.395 4.350 -1.270 0.000 0.191 356 E C 1.848 178.398 176.600 -0.083 0.000 0.985 356 E CA 1.461 57.816 56.400 -0.076 0.000 0.801 356 E CB -0.162 29.513 29.700 -0.041 0.000 0.750 356 E HN 0.606 nan 8.360 nan 0.000 0.452 357 D N -0.095 120.252 120.400 -0.088 0.000 2.216 357 D HA -0.033 3.845 4.640 -1.270 0.000 0.208 357 D C 2.000 178.237 176.300 -0.105 0.000 0.960 357 D CA 0.552 54.510 54.000 -0.070 0.000 0.861 357 D CB 0.241 41.024 40.800 -0.028 0.000 0.985 357 D HN 0.005 nan 8.370 nan 0.000 0.493 358 V N 0.569 120.359 119.914 -0.207 0.000 2.521 358 V HA 0.021 3.379 4.120 -1.270 0.000 0.239 358 V C 2.412 178.334 176.094 -0.287 0.000 1.053 358 V CA 0.547 62.696 62.300 -0.252 0.000 1.073 358 V CB -0.150 31.453 31.823 -0.366 0.000 0.746 358 V HN 0.092 nan 8.190 nan 0.000 0.476 359 L N -0.437 120.533 121.223 -0.422 0.000 2.217 359 L HA 0.059 3.637 4.340 -1.270 0.000 0.211 359 L C 0.876 177.647 176.870 -0.165 0.000 1.107 359 L CA 0.520 55.188 54.840 -0.286 0.000 0.783 359 L CB -0.282 41.592 42.059 -0.307 0.000 0.919 359 L HN 0.286 nan 8.230 nan 0.000 0.442 360 K N 0.911 121.221 120.400 -0.149 0.000 3.150 360 K HA -0.142 3.416 4.320 -1.270 0.000 0.267 360 K C -0.562 175.999 176.600 -0.066 0.000 1.028 360 K CA 0.792 57.028 56.287 -0.086 0.000 0.753 360 K CB -1.959 30.505 32.500 -0.060 0.000 1.288 360 K HN 0.326 nan 8.250 nan 0.000 0.473 361 I N 0.513 121.033 120.570 -0.084 0.000 2.646 361 I HA 0.273 3.680 4.170 -1.270 0.000 0.299 361 I C -2.062 174.019 176.117 -0.060 0.000 1.036 361 I CA -2.642 58.615 61.300 -0.071 0.000 1.074 361 I CB 2.038 39.970 38.000 -0.112 0.000 1.258 361 I HN -0.179 nan 8.210 nan 0.000 0.430 362 P HA 0.040 nan 4.420 nan 0.000 0.265 362 P C -0.957 176.307 177.300 -0.061 0.000 1.193 362 P CA 0.082 63.194 63.100 0.019 0.000 0.765 362 P CB 0.691 32.508 31.700 0.195 0.000 0.823 363 V N 4.917 124.827 119.914 -0.006 0.000 2.735 363 V HA 0.626 3.984 4.120 -1.270 0.000 0.310 363 V C -0.787 175.330 176.094 0.040 0.000 1.061 363 V CA -0.681 61.609 62.300 -0.016 0.000 0.913 363 V CB 1.824 33.635 31.823 -0.019 0.000 1.005 363 V HN 0.397 nan 8.190 nan 0.000 0.428 364 R N 3.503 124.033 120.500 0.051 0.000 2.673 364 R HA 0.535 4.113 4.340 -1.270 0.000 0.281 364 R C -1.470 174.861 176.300 0.051 0.000 0.991 364 R CA -0.393 55.754 56.100 0.078 0.000 0.896 364 R CB 1.377 31.767 30.300 0.151 0.000 1.201 364 R HN 0.735 nan 8.270 nan 0.000 0.457 365 C N 2.434 121.749 119.300 0.026 0.000 2.319 365 C HA 0.716 4.414 4.460 -1.270 0.000 0.323 365 C C 0.466 175.453 174.990 -0.005 0.000 1.277 365 C CA -0.007 59.008 59.018 -0.005 0.000 1.517 365 C CB 0.294 28.000 27.740 -0.057 0.000 2.206 365 C HN 0.907 nan 8.230 nan 0.000 0.486 366 T N 4.170 118.730 114.554 0.009 0.000 2.910 366 T HA 0.747 4.335 4.350 -1.270 0.000 0.287 366 T C -2.963 171.710 174.700 -0.045 0.000 1.050 366 T CA -1.672 60.431 62.100 0.004 0.000 1.011 366 T CB 1.440 70.354 68.868 0.077 0.000 1.195 366 T HN 0.420 nan 8.240 nan 0.000 0.540 367 P HA 0.201 nan 4.420 nan 0.000 0.271 367 P C 0.166 177.443 177.300 -0.039 0.000 1.244 367 P CA -0.278 62.709 63.100 -0.189 0.000 0.793 367 P CB 0.043 31.449 31.700 -0.491 0.000 0.984 368 T N -2.269 112.324 114.554 0.065 0.000 2.898 368 T HA 0.505 4.093 4.350 -1.270 0.000 0.301 368 T C 0.387 175.243 174.700 0.260 0.000 1.049 368 T CA 0.090 62.304 62.100 0.191 0.000 1.095 368 T CB -0.090 68.929 68.868 0.252 0.000 0.976 368 T HN 0.843 nan 8.240 nan 0.000 0.539 369 G N 0.875 109.831 108.800 0.259 0.000 3.438 369 G HA2 0.082 3.280 3.960 -1.270 0.000 0.684 369 G HA3 0.082 3.280 3.960 -1.270 0.000 0.684 369 G C 0.313 175.341 174.900 0.213 0.000 1.192 369 G CA -0.151 45.104 45.100 0.258 0.000 1.013 369 G HN 1.775 nan 8.290 nan 0.000 0.530 370 V N 1.252 121.277 119.914 0.184 0.000 2.439 370 V HA -0.220 3.138 4.120 -1.270 0.000 0.253 370 V C 2.712 178.817 176.094 0.018 0.000 1.074 370 V CA 2.738 65.121 62.300 0.137 0.000 1.076 370 V CB -0.602 31.356 31.823 0.224 0.000 0.664 370 V HN 0.924 nan 8.190 nan 0.000 0.461 371 K N -0.506 119.876 120.400 -0.030 0.000 2.063 371 K HA -0.249 3.309 4.320 -1.270 0.000 0.208 371 K C 2.279 178.813 176.600 -0.110 0.000 1.048 371 K CA 2.059 58.275 56.287 -0.120 0.000 0.928 371 K CB -0.340 32.007 32.500 -0.255 0.000 0.713 371 K HN 0.696 nan 8.250 nan 0.000 0.442 372 H N 0.225 119.317 119.070 0.038 0.000 2.326 372 H HA -0.086 3.709 4.556 -1.270 0.000 0.301 372 H C 2.308 177.650 175.328 0.024 0.000 1.081 372 H CA 1.414 57.486 56.048 0.041 0.000 1.334 372 H CB -0.194 29.590 29.762 0.038 0.000 1.385 372 H HN 0.118 nan 8.280 nan 0.000 0.504 373 L N -0.002 121.271 121.223 0.084 0.000 2.017 373 L HA -0.187 3.391 4.340 -1.270 0.000 0.208 373 L C 2.669 179.304 176.870 -0.392 0.000 1.073 373 L CA 1.703 56.492 54.840 -0.084 0.000 0.745 373 L CB -0.826 41.205 42.059 -0.046 0.000 0.894 373 L HN 0.291 nan 8.230 nan 0.000 0.432 374 H N -1.458 117.213 119.070 -0.666 0.000 2.319 374 H HA -0.248 3.545 4.556 -1.271 0.000 0.299 374 H C 2.425 177.620 175.328 -0.222 0.000 1.092 374 H CA 2.199 57.838 56.048 -0.681 0.000 1.302 374 H CB -0.141 29.385 29.762 -0.393 0.000 1.373 374 H HN 0.392 nan 8.280 nan 0.000 0.497 375 H N -0.228 118.762 119.070 -0.134 0.000 2.319 375 H HA -0.168 3.625 4.556 -1.271 0.000 0.297 375 H C 2.115 177.382 175.328 -0.102 0.000 1.097 375 H CA 1.984 57.984 56.048 -0.079 0.000 1.285 375 H CB 0.034 29.797 29.762 0.002 0.000 1.368 375 H HN 0.497 nan 8.280 nan 0.000 0.495 376 E N 0.714 120.880 120.200 -0.057 0.000 2.106 376 E HA -0.054 3.534 4.350 -1.270 0.000 0.192 376 E C 2.261 178.865 176.600 0.007 0.000 0.984 376 E CA 1.258 57.636 56.400 -0.036 0.000 0.806 376 E CB -0.444 29.311 29.700 0.091 0.000 0.750 376 E HN 0.500 nan 8.360 nan 0.000 0.458 377 A N 0.764 123.555 122.820 -0.049 0.000 2.019 377 A HA -0.189 3.368 4.320 -1.270 0.000 0.219 377 A C 1.876 179.490 177.584 0.049 0.000 1.164 377 A CA 1.557 53.639 52.037 0.075 0.000 0.644 377 A CB -0.557 18.456 19.000 0.022 0.000 0.805 377 A HN 0.363 nan 8.150 nan 0.000 0.449 378 E N 0.195 120.288 120.200 -0.178 0.000 2.472 378 E HA -0.096 3.492 4.350 -1.270 0.000 0.200 378 E C 0.517 177.031 176.600 -0.144 0.000 1.046 378 E CA 0.315 56.614 56.400 -0.169 0.000 0.871 378 E CB -0.125 29.424 29.700 -0.251 0.000 0.806 378 E HN 0.500 nan 8.360 nan 0.000 0.533 379 N N 0.031 118.615 118.700 -0.193 0.000 2.449 379 N HA 0.047 4.025 4.740 -1.270 0.000 0.191 379 N C -0.643 174.462 175.510 -0.673 0.000 1.161 379 N CA 0.574 53.369 53.050 -0.425 0.000 0.863 379 N CB 0.219 38.372 38.487 -0.557 0.000 0.980 379 N HN 0.022 nan 8.380 nan 0.000 0.458 380 F N -0.828 119.088 119.950 -0.057 0.000 2.640 380 F HA 0.322 4.086 4.527 -1.271 0.000 0.324 380 F C 1.289 177.074 175.800 -0.026 0.000 1.077 380 F CA -1.128 56.853 58.000 -0.032 0.000 0.965 380 F CB 1.110 40.095 39.000 -0.024 0.000 1.351 380 F HN -0.281 nan 8.300 nan 0.000 0.487 381 D N 0.575 121.090 120.400 0.192 0.000 2.117 381 D HA 0.042 3.920 4.640 -1.270 0.000 0.198 381 D C 0.312 176.642 176.300 0.049 0.000 0.982 381 D CA 1.846 55.915 54.000 0.114 0.000 0.828 381 D CB 0.336 41.201 40.800 0.108 0.000 0.967 381 D HN 0.185 nan 8.370 nan 0.000 0.464 382 I N 0.327 120.901 120.570 0.007 0.000 2.468 382 I HA 0.361 3.768 4.170 -1.270 0.000 0.285 382 I C 0.022 176.076 176.117 -0.106 0.000 1.039 382 I CA -0.756 60.397 61.300 -0.246 0.000 1.074 382 I CB 2.367 40.128 38.000 -0.399 0.000 1.228 382 I HN -0.224 nan 8.210 nan 0.000 0.436 383 G N 5.917 114.692 108.800 -0.042 0.000 2.437 383 G HA2 0.554 3.752 3.960 -1.270 0.000 0.315 383 G HA3 0.554 3.752 3.960 -1.270 0.000 0.315 383 G C -0.727 174.235 174.900 0.104 0.000 1.210 383 G CA -0.338 44.786 45.100 0.040 0.000 0.943 383 G HN 0.315 nan 8.290 nan 0.000 0.471 384 V N 3.976 123.931 119.914 0.068 0.000 2.364 384 V HA 0.452 3.809 4.120 -1.270 0.000 0.272 384 V C -0.634 175.630 176.094 0.284 0.000 1.036 384 V CA -0.569 61.842 62.300 0.185 0.000 0.880 384 V CB -0.062 31.872 31.823 0.186 0.000 0.991 384 V HN 0.708 nan 8.190 nan 0.000 0.460 385 Y N 3.633 124.064 120.300 0.219 0.000 2.373 385 Y HA 0.874 4.661 4.550 -1.271 0.000 0.336 385 Y C -1.598 174.372 175.900 0.116 0.000 0.979 385 Y CA -1.949 56.253 58.100 0.169 0.000 1.080 385 Y CB 1.448 39.947 38.460 0.065 0.000 1.190 385 Y HN 0.372 nan 8.280 nan 0.000 0.446 386 F N 1.373 121.436 119.950 0.189 0.000 2.619 386 F HA 0.465 4.229 4.527 -1.271 0.000 0.308 386 F C -0.391 175.513 175.800 0.174 0.000 1.097 386 F CA -1.020 57.059 58.000 0.131 0.000 0.953 386 F CB 2.523 41.580 39.000 0.094 0.000 1.287 386 F HN 0.570 nan 8.300 nan 0.000 0.446 387 E N 0.691 121.096 120.200 0.342 0.000 2.248 387 E HA 0.537 4.125 4.350 -1.270 0.000 0.272 387 E C 0.241 177.006 176.600 0.276 0.000 1.008 387 E CA -0.374 56.191 56.400 0.276 0.000 0.856 387 E CB 1.789 31.630 29.700 0.235 0.000 1.120 387 E HN 0.730 nan 8.360 nan 0.000 0.397 388 A N 2.690 125.642 122.820 0.219 0.000 2.024 388 A HA -0.235 3.323 4.320 -1.270 0.000 0.220 388 A C 1.609 179.293 177.584 0.168 0.000 1.164 388 A CA 1.942 54.093 52.037 0.189 0.000 0.643 388 A CB -0.788 18.316 19.000 0.173 0.000 0.806 388 A HN 0.716 nan 8.150 nan 0.000 0.451 389 N N -0.977 117.805 118.700 0.136 0.000 2.609 389 N HA 0.196 4.174 4.740 -1.270 0.000 0.190 389 N C 1.029 176.636 175.510 0.161 0.000 1.157 389 N CA 1.488 54.596 53.050 0.097 0.000 0.918 389 N CB -0.501 37.996 38.487 0.017 0.000 0.978 389 N HN 0.834 nan 8.380 nan 0.000 0.448 390 G N -1.505 107.446 108.800 0.252 0.000 2.176 390 G HA2 -0.294 2.904 3.960 -1.270 0.000 0.232 390 G HA3 -0.294 2.904 3.960 -1.270 0.000 0.232 390 G C -0.384 174.740 174.900 0.374 0.000 0.986 390 G CA 0.195 45.492 45.100 0.327 0.000 0.643 390 G HN 0.748 nan 8.290 nan 0.000 0.522 391 H N 0.925 120.096 119.070 0.167 0.000 2.562 391 H HA 0.622 4.415 4.556 -1.271 0.000 0.314 391 H C 0.565 175.811 175.328 -0.138 0.000 1.079 391 H CA 1.189 57.258 56.048 0.036 0.000 1.349 391 H CB 0.975 30.754 29.762 0.028 0.000 1.432 391 H HN 1.113 nan 8.280 nan 0.000 0.479 392 G N 2.137 110.379 108.800 -0.930 0.000 2.321 392 G HA2 0.401 3.599 3.960 -1.270 0.000 0.298 392 G HA3 0.401 3.599 3.960 -1.270 0.000 0.298 392 G C -1.138 172.698 174.900 -1.774 0.000 1.385 392 G CA -0.147 44.002 45.100 -1.585 0.000 0.856 392 G HN 0.825 nan 8.290 nan 0.000 0.584 393 T N -2.347 111.187 114.554 -1.700 0.000 2.649 393 T HA 0.639 4.227 4.350 -1.270 0.000 0.305 393 T C -1.689 172.709 174.700 -0.503 0.000 1.409 393 T CA 0.213 61.845 62.100 -0.780 0.000 1.021 393 T CB 1.404 69.986 68.868 -0.477 0.000 1.726 393 T HN 1.293 nan 8.240 nan 0.000 0.475 394 V N 2.699 122.538 119.914 -0.124 0.000 2.540 394 V HA 0.692 4.050 4.120 -1.270 0.000 0.302 394 V C -0.132 176.071 176.094 0.182 0.000 1.035 394 V CA -0.773 61.569 62.300 0.070 0.000 0.873 394 V CB 1.195 33.165 31.823 0.246 0.000 0.992 394 V HN 0.800 nan 8.190 nan 0.000 0.428 395 I N 0.192 120.893 120.570 0.219 0.000 2.797 395 I HA 0.771 4.179 4.170 -1.270 0.000 0.307 395 I C -1.487 174.786 176.117 0.260 0.000 1.033 395 I CA -0.666 60.837 61.300 0.337 0.000 1.071 395 I CB 2.270 40.465 38.000 0.326 0.000 1.255 395 I HN 0.339 nan 8.210 nan 0.000 0.445 396 F N 2.291 122.347 119.950 0.176 0.000 2.520 396 F HA 0.390 4.155 4.527 -1.270 0.000 0.322 396 F C 0.416 176.303 175.800 0.145 0.000 1.103 396 F CA -0.742 57.363 58.000 0.174 0.000 0.926 396 F CB 1.419 40.536 39.000 0.194 0.000 1.154 396 F HN 0.573 nan 8.300 nan 0.000 0.453 397 N N 4.551 123.400 118.700 0.249 0.000 2.454 397 N HA 0.040 4.018 4.740 -1.270 0.000 0.260 397 N C -1.963 173.665 175.510 0.196 0.000 1.218 397 N CA -0.985 52.167 53.050 0.170 0.000 0.904 397 N CB 1.459 40.012 38.487 0.111 0.000 1.065 397 N HN 0.232 nan 8.380 nan 0.000 0.462 398 P HA -0.226 nan 4.420 nan 0.000 0.215 398 P C 0.996 178.367 177.300 0.118 0.000 1.163 398 P CA 1.974 65.150 63.100 0.127 0.000 0.894 398 P CB 0.077 31.827 31.700 0.084 0.000 0.791 399 E N -0.475 119.782 120.200 0.094 0.000 2.150 399 E HA -0.120 3.468 4.350 -1.270 0.000 0.193 399 E C 1.948 178.611 176.600 0.106 0.000 0.985 399 E CA 1.189 57.637 56.400 0.081 0.000 0.814 399 E CB -0.935 28.795 29.700 0.051 0.000 0.752 399 E HN 0.120 nan 8.360 nan 0.000 0.466 400 A N 1.837 124.736 122.820 0.132 0.000 1.898 400 A HA -0.223 3.335 4.320 -1.270 0.000 0.216 400 A C 2.143 179.868 177.584 0.236 0.000 1.181 400 A CA 1.529 53.661 52.037 0.158 0.000 0.620 400 A CB -0.563 18.541 19.000 0.173 0.000 0.819 400 A HN 0.398 nan 8.150 nan 0.000 0.442 401 E N -0.184 120.194 120.200 0.297 0.000 2.110 401 E HA -0.236 3.352 4.350 -1.270 0.000 0.193 401 E C 2.043 178.858 176.600 0.358 0.000 0.988 401 E CA 1.503 58.116 56.400 0.355 0.000 0.804 401 E CB -0.102 29.773 29.700 0.292 0.000 0.745 401 E HN 0.626 nan 8.360 nan 0.000 0.458 402 K N 0.574 121.109 120.400 0.225 0.000 2.057 402 K HA -0.154 3.403 4.320 -1.270 0.000 0.206 402 K C 2.016 178.735 176.600 0.199 0.000 1.050 402 K CA 1.297 57.697 56.287 0.188 0.000 0.935 402 K CB 0.103 32.664 32.500 0.103 0.000 0.715 402 K HN -0.029 nan 8.250 nan 0.000 0.439 403 K N 0.498 120.988 120.400 0.149 0.000 2.057 403 K HA -0.112 3.446 4.320 -1.270 0.000 0.207 403 K C 2.092 178.767 176.600 0.126 0.000 1.049 403 K CA 1.509 57.855 56.287 0.100 0.000 0.931 403 K CB -0.134 32.388 32.500 0.036 0.000 0.714 403 K HN 0.201 nan 8.250 nan 0.000 0.440 404 I N -0.030 120.633 120.570 0.154 0.000 2.226 404 I HA -0.256 3.152 4.170 -1.270 0.000 0.245 404 I C 1.845 177.978 176.117 0.027 0.000 1.100 404 I CA 1.384 62.743 61.300 0.099 0.000 1.374 404 I CB -0.178 37.877 38.000 0.090 0.000 1.057 404 I HN 0.051 nan 8.210 nan 0.000 0.413 405 F N 0.668 120.666 119.950 0.081 0.000 2.367 405 F HA -0.124 3.640 4.527 -1.271 0.000 0.298 405 F C 1.986 177.824 175.800 0.064 0.000 1.094 405 F CA 0.986 59.019 58.000 0.055 0.000 1.409 405 F CB -0.200 38.816 39.000 0.026 0.000 1.064 405 F HN 0.062 nan 8.300 nan 0.000 0.528 406 D N -1.400 119.141 120.400 0.235 0.000 2.333 406 D HA -0.112 3.765 4.640 -1.270 0.000 0.208 406 D C 0.263 176.676 176.300 0.188 0.000 0.984 406 D CA 0.273 54.376 54.000 0.172 0.000 0.873 406 D CB -0.418 40.463 40.800 0.135 0.000 0.935 406 D HN 0.261 nan 8.370 nan 0.000 0.521 407 Y N 1.644 121.955 120.300 0.019 0.000 2.569 407 Y HA 0.203 3.991 4.550 -1.271 0.000 0.332 407 Y C 0.559 176.450 175.900 -0.015 0.000 1.120 407 Y CA -0.281 57.814 58.100 -0.009 0.000 1.416 407 Y CB 0.161 38.602 38.460 -0.032 0.000 1.210 407 Y HN -0.216 nan 8.280 nan 0.000 0.528 408 K N 7.830 128.163 120.400 -0.112 0.000 2.478 408 K HA 0.417 3.975 4.320 -1.270 0.000 0.236 408 K C -2.906 173.434 176.600 -0.433 0.000 1.021 408 K CA -1.890 54.251 56.287 -0.244 0.000 1.010 408 K CB 0.166 32.623 32.500 -0.071 0.000 1.331 408 K HN 0.498 nan 8.250 nan 0.000 0.470 409 P HA 0.017 nan 4.420 nan 0.000 0.270 409 P C 0.184 177.346 177.300 -0.230 0.000 1.221 409 P CA -0.024 62.745 63.100 -0.552 0.000 0.788 409 P CB 0.529 31.951 31.700 -0.463 0.000 0.904 410 N N 0.059 118.679 118.700 -0.132 0.000 2.187 410 N HA 0.015 3.993 4.740 -1.270 0.000 0.212 410 N C -0.475 175.002 175.510 -0.054 0.000 1.152 410 N CA -0.453 52.556 53.050 -0.068 0.000 0.872 410 N CB 0.004 38.475 38.487 -0.028 0.000 1.025 410 N HN 0.348 nan 8.380 nan 0.000 0.514 411 N N 0.439 119.099 118.700 -0.067 0.000 2.308 411 N HA 0.093 4.070 4.740 -1.270 0.000 0.283 411 N C -0.841 174.636 175.510 -0.055 0.000 1.105 411 N CA -0.382 52.639 53.050 -0.048 0.000 0.840 411 N CB 1.842 40.310 38.487 -0.032 0.000 1.633 411 N HN -0.270 nan 8.380 nan 0.000 0.476 412 D N 1.039 121.414 120.400 -0.043 0.000 2.190 412 D HA -0.201 3.677 4.640 -1.270 0.000 0.200 412 D C 1.314 177.593 176.300 -0.035 0.000 0.992 412 D CA 1.598 55.574 54.000 -0.040 0.000 0.854 412 D CB -0.093 40.689 40.800 -0.030 0.000 0.936 412 D HN 0.716 nan 8.370 nan 0.000 0.462 413 N N 0.705 119.388 118.700 -0.029 0.000 2.106 413 N HA -0.177 3.801 4.740 -1.270 0.000 0.188 413 N C 1.554 177.053 175.510 -0.019 0.000 1.029 413 N CA 1.417 54.455 53.050 -0.019 0.000 0.848 413 N CB -0.002 38.476 38.487 -0.014 0.000 1.007 413 N HN 0.224 nan 8.380 nan 0.000 0.423 414 E N -0.777 119.403 120.200 -0.033 0.000 2.208 414 E HA -0.069 3.519 4.350 -1.270 0.000 0.193 414 E C 1.672 178.219 176.600 -0.088 0.000 0.988 414 E CA 0.818 57.194 56.400 -0.041 0.000 0.828 414 E CB -0.161 29.515 29.700 -0.041 0.000 0.763 414 E HN 0.482 nan 8.360 nan 0.000 0.478 415 A N 1.302 124.060 122.820 -0.104 0.000 1.898 415 A HA -0.158 3.400 4.320 -1.270 0.000 0.216 415 A C 2.002 179.539 177.584 -0.078 0.000 1.181 415 A CA 1.389 53.352 52.037 -0.123 0.000 0.620 415 A CB -0.241 18.696 19.000 -0.105 0.000 0.819 415 A HN 0.125 nan 8.150 nan 0.000 0.442 416 K N -0.181 120.194 120.400 -0.042 0.000 2.026 416 K HA -0.062 3.496 4.320 -1.270 0.000 0.208 416 K C 2.386 178.979 176.600 -0.013 0.000 1.048 416 K CA 1.137 57.416 56.287 -0.012 0.000 0.929 416 K CB -0.381 32.130 32.500 0.019 0.000 0.713 416 K HN 0.416 nan 8.250 nan 0.000 0.439 417 A N 1.928 124.742 122.820 -0.010 0.000 1.873 417 A HA -0.204 3.354 4.320 -1.270 0.000 0.218 417 A C 2.105 179.655 177.584 -0.058 0.000 1.193 417 A CA 1.564 53.584 52.037 -0.028 0.000 0.629 417 A CB -0.646 18.354 19.000 -0.001 0.000 0.826 417 A HN 0.142 nan 8.150 nan 0.000 0.447 418 I N -0.108 120.432 120.570 -0.049 0.000 2.264 418 I HA -0.228 3.180 4.170 -1.270 0.000 0.248 418 I C 2.384 178.432 176.117 -0.116 0.000 1.111 418 I CA 2.035 63.299 61.300 -0.059 0.000 1.382 418 I CB -1.139 36.808 38.000 -0.087 0.000 1.060 418 I HN 0.463 nan 8.210 nan 0.000 0.418 419 K N 0.783 121.120 120.400 -0.105 0.000 2.097 419 K HA -0.107 3.451 4.320 -1.270 0.000 0.205 419 K C 2.153 178.702 176.600 -0.085 0.000 1.050 419 K CA 0.931 57.155 56.287 -0.105 0.000 0.938 419 K CB 0.172 32.635 32.500 -0.062 0.000 0.718 419 K HN 0.081 nan 8.250 nan 0.000 0.442 420 V N 1.479 121.351 119.914 -0.069 0.000 2.343 420 V HA -0.239 3.119 4.120 -1.270 0.000 0.247 420 V C 2.219 178.303 176.094 -0.017 0.000 1.051 420 V CA 1.402 63.669 62.300 -0.056 0.000 1.036 420 V CB -0.378 31.345 31.823 -0.167 0.000 0.654 420 V HN 0.340 nan 8.190 nan 0.000 0.451 421 L N -0.103 121.081 121.223 -0.065 0.000 2.046 421 L HA -0.200 3.377 4.340 -1.270 0.000 0.208 421 L C 2.474 179.332 176.870 -0.021 0.000 1.077 421 L CA 1.921 56.772 54.840 0.019 0.000 0.747 421 L CB -0.717 41.365 42.059 0.038 0.000 0.896 421 L HN 0.349 nan 8.230 nan 0.000 0.432 422 Q N -0.741 118.923 119.800 -0.227 0.000 2.061 422 Q HA -0.207 3.371 4.340 -1.270 0.000 0.204 422 Q C 2.006 177.901 176.000 -0.175 0.000 0.984 422 Q CA 1.805 57.284 55.803 -0.540 0.000 0.846 422 Q CB -0.268 27.950 28.738 -0.867 0.000 0.902 422 Q HN 0.590 nan 8.270 nan 0.000 0.421 423 N N -0.115 118.548 118.700 -0.061 0.000 2.244 423 N HA -0.121 3.857 4.740 -1.270 0.000 0.183 423 N C 1.499 177.026 175.510 0.028 0.000 1.016 423 N CA 0.738 53.795 53.050 0.011 0.000 0.866 423 N CB -0.119 38.379 38.487 0.018 0.000 0.980 423 N HN 0.166 nan 8.380 nan 0.000 0.430 424 F N 2.412 122.332 119.950 -0.051 0.000 2.186 424 F HA -0.146 3.619 4.527 -1.271 0.000 0.299 424 F C 2.594 178.344 175.800 -0.082 0.000 1.090 424 F CA 1.227 59.217 58.000 -0.016 0.000 1.307 424 F CB -0.315 38.773 39.000 0.146 0.000 1.019 424 F HN -0.002 nan 8.300 nan 0.000 0.489 425 S N -0.784 114.812 115.700 -0.175 0.000 2.447 425 S HA -0.167 3.541 4.470 -1.270 0.000 0.233 425 S C 1.646 176.060 174.600 -0.310 0.000 1.006 425 S CA 0.906 58.754 58.200 -0.586 0.000 0.957 425 S CB -0.385 62.182 63.200 -1.054 0.000 0.773 425 S HN 0.495 nan 8.310 nan 0.000 0.507 426 Q N 0.041 119.722 119.800 -0.198 0.000 2.391 426 Q HA 0.330 3.907 4.340 -1.270 0.000 0.211 426 Q C 1.977 177.836 176.000 -0.235 0.000 0.908 426 Q CA 0.297 55.986 55.803 -0.190 0.000 0.920 426 Q CB -0.421 28.254 28.738 -0.105 0.000 1.056 426 Q HN 0.545 nan 8.270 nan 0.000 0.523 427 L N 0.478 121.541 121.223 -0.266 0.000 2.049 427 L HA 0.138 3.715 4.340 -1.270 0.000 0.203 427 L C 0.832 177.487 176.870 -0.357 0.000 1.074 427 L CA 0.774 55.444 54.840 -0.282 0.000 0.749 427 L CB -0.266 41.647 42.059 -0.245 0.000 0.907 427 L HN 0.079 nan 8.230 nan 0.000 0.439 428 I N 1.030 121.263 120.570 -0.561 0.000 2.692 428 I HA -0.008 3.400 4.170 -1.270 0.000 0.284 428 I C 0.318 176.308 176.117 -0.211 0.000 1.159 428 I CA 0.204 61.212 61.300 -0.486 0.000 1.423 428 I CB 0.024 37.580 38.000 -0.740 0.000 1.380 428 I HN 0.282 nan 8.210 nan 0.000 0.580 429 N N 6.426 125.061 118.700 -0.108 0.000 2.448 429 N HA 0.087 4.064 4.740 -1.270 0.000 0.250 429 N C 0.402 175.959 175.510 0.077 0.000 1.136 429 N CA 0.210 53.280 53.050 0.034 0.000 0.953 429 N CB 0.582 39.093 38.487 0.042 0.000 1.251 429 N HN 0.644 nan 8.380 nan 0.000 0.502 430 Q N 1.253 121.169 119.800 0.194 0.000 2.436 430 Q HA -0.048 3.529 4.340 -1.270 0.000 0.209 430 Q C 0.822 176.910 176.000 0.147 0.000 0.965 430 Q CA 1.070 56.998 55.803 0.209 0.000 0.910 430 Q CB 0.305 29.221 28.738 0.298 0.000 0.980 430 Q HN 0.589 nan 8.270 nan 0.000 0.491 431 T N -0.285 114.328 114.554 0.098 0.000 2.896 431 T HA 0.073 3.660 4.350 -1.270 0.000 0.263 431 T C 0.566 175.249 174.700 -0.028 0.000 1.050 431 T CA 0.566 62.654 62.100 -0.021 0.000 1.140 431 T CB 0.460 69.289 68.868 -0.066 0.000 0.877 431 T HN 0.087 nan 8.240 nan 0.000 0.457 432 V N -0.580 119.303 119.914 -0.051 0.000 3.278 432 V HA 0.622 3.980 4.120 -1.270 0.000 0.288 432 V C -0.959 175.032 176.094 -0.171 0.000 1.514 432 V CA -0.893 61.320 62.300 -0.145 0.000 1.051 432 V CB 1.544 33.129 31.823 -0.397 0.000 1.163 432 V HN 0.334 nan 8.190 nan 0.000 0.458 433 G N 2.022 110.661 108.800 -0.270 0.000 2.272 433 G HA2 0.417 3.615 3.960 -1.270 0.000 0.247 433 G HA3 0.417 3.615 3.960 -1.270 0.000 0.247 433 G C -0.645 174.197 174.900 -0.097 0.000 1.272 433 G CA 0.556 45.441 45.100 -0.359 0.000 0.921 433 G HN 0.741 nan 8.290 nan 0.000 0.495 434 D N 1.709 122.059 120.400 -0.082 0.000 2.542 434 D HA 0.452 4.330 4.640 -1.270 0.000 0.252 434 D C 1.006 177.272 176.300 -0.057 0.000 1.222 434 D CA -0.130 53.837 54.000 -0.055 0.000 0.895 434 D CB 1.586 42.371 40.800 -0.026 0.000 1.207 434 D HN 0.298 nan 8.370 nan 0.000 0.558 435 A N 4.435 127.171 122.820 -0.139 0.000 1.908 435 A HA -0.143 3.415 4.320 -1.270 0.000 0.218 435 A C 2.180 179.589 177.584 -0.291 0.000 1.181 435 A CA 1.067 52.968 52.037 -0.226 0.000 0.627 435 A CB -0.427 18.259 19.000 -0.523 0.000 0.818 435 A HN 0.740 nan 8.150 nan 0.000 0.445 436 I N -0.858 119.476 120.570 -0.394 0.000 2.179 436 I HA -0.212 3.195 4.170 -1.270 0.000 0.242 436 I C 2.880 178.946 176.117 -0.085 0.000 1.088 436 I CA 1.581 62.755 61.300 -0.211 0.000 1.357 436 I CB -0.323 37.595 38.000 -0.137 0.000 1.051 436 I HN 0.448 nan 8.210 nan 0.000 0.409 437 S N 0.613 116.262 115.700 -0.085 0.000 2.368 437 S HA -0.223 3.485 4.470 -1.270 0.000 0.225 437 S C 1.721 176.313 174.600 -0.013 0.000 1.030 437 S CA 1.796 59.940 58.200 -0.094 0.000 0.999 437 S CB -0.298 62.840 63.200 -0.105 0.000 0.844 437 S HN 0.350 nan 8.310 nan 0.000 0.459 438 D N 0.988 121.432 120.400 0.074 0.000 2.144 438 D HA -0.070 3.807 4.640 -1.270 0.000 0.199 438 D C 1.875 178.336 176.300 0.267 0.000 0.984 438 D CA 0.904 55.056 54.000 0.253 0.000 0.834 438 D CB -0.499 40.508 40.800 0.346 0.000 0.955 438 D HN 0.394 nan 8.370 nan 0.000 0.465 439 L N 0.539 121.877 121.223 0.192 0.000 2.056 439 L HA -0.061 3.517 4.340 -1.270 0.000 0.207 439 L C 2.107 179.067 176.870 0.149 0.000 1.078 439 L CA 1.322 56.282 54.840 0.201 0.000 0.749 439 L CB -0.529 41.683 42.059 0.256 0.000 0.901 439 L HN 0.006 nan 8.230 nan 0.000 0.433 440 L N -0.630 120.643 121.223 0.082 0.000 2.083 440 L HA -0.167 3.411 4.340 -1.270 0.000 0.209 440 L C 2.658 179.677 176.870 0.247 0.000 1.083 440 L CA 1.135 56.035 54.840 0.101 0.000 0.752 440 L CB -0.934 41.111 42.059 -0.023 0.000 0.899 440 L HN 0.408 nan 8.230 nan 0.000 0.433 441 A N -0.265 122.647 122.820 0.153 0.000 1.877 441 A HA -0.148 3.410 4.320 -1.270 0.000 0.216 441 A C 2.335 180.078 177.584 0.264 0.000 1.186 441 A CA 1.667 53.782 52.037 0.130 0.000 0.620 441 A CB -0.793 18.165 19.000 -0.070 0.000 0.822 441 A HN 0.177 nan 8.150 nan 0.000 0.443 442 V N 0.229 120.339 119.914 0.327 0.000 2.255 442 V HA -0.286 3.071 4.120 -1.270 0.000 0.247 442 V C 2.607 178.735 176.094 0.058 0.000 1.051 442 V CA 2.086 64.464 62.300 0.131 0.000 1.018 442 V CB -0.798 31.075 31.823 0.084 0.000 0.641 442 V HN 0.577 nan 8.190 nan 0.000 0.445 443 L N -0.953 120.358 121.223 0.147 0.000 2.012 443 L HA -0.216 3.361 4.340 -1.270 0.000 0.210 443 L C 2.422 179.403 176.870 0.185 0.000 1.073 443 L CA 1.632 56.579 54.840 0.177 0.000 0.748 443 L CB -0.531 41.671 42.059 0.238 0.000 0.891 443 L HN 0.309 nan 8.230 nan 0.000 0.431 444 I N -0.970 119.708 120.570 0.179 0.000 2.439 444 I HA -0.178 3.230 4.170 -1.270 0.000 0.251 444 I C 2.167 178.263 176.117 -0.034 0.000 1.139 444 I CA 1.098 62.395 61.300 -0.006 0.000 1.438 444 I CB 0.024 37.872 38.000 -0.254 0.000 1.085 444 I HN -0.107 nan 8.210 nan 0.000 0.427 445 V N 0.398 120.212 119.914 -0.165 0.000 2.307 445 V HA -0.223 3.135 4.120 -1.270 0.000 0.245 445 V C 2.596 178.626 176.094 -0.106 0.000 1.045 445 V CA 1.857 63.936 62.300 -0.368 0.000 1.024 445 V CB -0.779 30.752 31.823 -0.486 0.000 0.651 445 V HN 0.446 nan 8.190 nan 0.000 0.449 446 V N -1.278 118.576 119.914 -0.101 0.000 2.626 446 V HA -0.273 3.085 4.120 -1.270 0.000 0.252 446 V C 2.319 178.439 176.094 0.044 0.000 1.067 446 V CA 2.495 64.760 62.300 -0.059 0.000 1.081 446 V CB -1.216 30.572 31.823 -0.059 0.000 0.686 446 V HN 0.662 nan 8.190 nan 0.000 0.468 447 H N -0.444 118.627 119.070 0.002 0.000 2.357 447 H HA -0.120 3.673 4.556 -1.271 0.000 0.301 447 H C 2.038 177.374 175.328 0.013 0.000 1.082 447 H CA 2.236 58.293 56.048 0.015 0.000 1.342 447 H CB -0.438 29.351 29.762 0.045 0.000 1.389 447 H HN 0.547 nan 8.280 nan 0.000 0.511 448 Y N 0.578 120.854 120.300 -0.040 0.000 2.145 448 Y HA -0.130 3.658 4.550 -1.271 0.000 0.286 448 Y C 1.899 177.769 175.900 -0.049 0.000 1.145 448 Y CA 1.748 59.823 58.100 -0.041 0.000 1.148 448 Y CB -0.251 38.284 38.460 0.126 0.000 0.981 448 Y HN 0.206 nan 8.280 nan 0.000 0.507 449 L N 0.491 121.768 121.223 0.091 0.000 2.610 449 L HA -0.038 3.540 4.340 -1.270 0.000 0.232 449 L C 0.551 177.371 176.870 -0.084 0.000 1.149 449 L CA 0.640 55.485 54.840 0.009 0.000 0.872 449 L CB -0.474 41.645 42.059 0.101 0.000 0.992 449 L HN 0.141 nan 8.230 nan 0.000 0.447 450 K N 0.831 121.155 120.400 -0.127 0.000 3.150 450 K HA -0.168 3.390 4.320 -1.270 0.000 0.267 450 K C -0.616 175.945 176.600 -0.066 0.000 1.028 450 K CA 0.388 56.596 56.287 -0.131 0.000 0.753 450 K CB -1.810 30.596 32.500 -0.157 0.000 1.288 450 K HN 0.288 nan 8.250 nan 0.000 0.473 451 L N 0.749 121.951 121.223 -0.034 0.000 2.325 451 L HA 0.358 3.936 4.340 -1.270 0.000 0.278 451 L C 1.015 177.886 176.870 0.002 0.000 1.023 451 L CA -0.752 54.084 54.840 -0.007 0.000 0.811 451 L CB 1.765 43.831 42.059 0.011 0.000 1.249 451 L HN 0.241 nan 8.230 nan 0.000 0.431 452 S N 1.318 117.008 115.700 -0.017 0.000 2.672 452 S HA 0.433 4.140 4.470 -1.270 0.000 0.276 452 S C -2.075 172.479 174.600 -0.075 0.000 1.207 452 S CA -1.258 56.907 58.200 -0.059 0.000 1.002 452 S CB 1.501 64.644 63.200 -0.095 0.000 0.998 452 S HN 0.372 nan 8.310 nan 0.000 0.542 453 P HA -0.083 nan 4.420 nan 0.000 0.216 453 P C 1.691 178.684 177.300 -0.511 0.000 1.150 453 P CA 1.255 64.149 63.100 -0.342 0.000 0.837 453 P CB -0.046 31.256 31.700 -0.663 0.000 0.786 454 S N -0.951 114.420 115.700 -0.548 0.000 2.368 454 S HA -0.166 3.541 4.470 -1.270 0.000 0.224 454 S C 1.670 176.209 174.600 -0.102 0.000 1.029 454 S CA 1.547 59.561 58.200 -0.311 0.000 0.988 454 S CB -1.102 61.978 63.200 -0.201 0.000 0.838 454 S HN 0.057 nan 8.310 nan 0.000 0.462 455 D N 0.194 120.560 120.400 -0.057 0.000 2.123 455 D HA -0.122 3.755 4.640 -1.270 0.000 0.196 455 D C 1.470 177.821 176.300 0.085 0.000 0.992 455 D CA 1.071 55.078 54.000 0.011 0.000 0.833 455 D CB -0.464 40.344 40.800 0.013 0.000 0.954 455 D HN 0.627 nan 8.370 nan 0.000 0.455 456 W N 2.418 123.644 121.300 -0.123 0.000 2.379 456 W HA -0.134 3.764 4.660 -1.269 0.000 0.307 456 W C 1.726 178.140 176.519 -0.175 0.000 1.200 456 W CA 1.169 58.437 57.345 -0.128 0.000 1.297 456 W CB -0.885 28.498 29.460 -0.130 0.000 1.140 456 W HN -0.139 nan 8.180 nan 0.000 0.507 457 D N 0.087 120.386 120.400 -0.167 0.000 2.218 457 D HA -0.238 3.640 4.640 -1.270 0.000 0.204 457 D C 1.619 177.775 176.300 -0.239 0.000 0.976 457 D CA 1.462 55.264 54.000 -0.330 0.000 0.853 457 D CB -0.645 40.087 40.800 -0.114 0.000 0.939 457 D HN 0.195 nan 8.370 nan 0.000 0.481 458 N N -0.079 118.558 118.700 -0.105 0.000 2.521 458 N HA -0.075 3.902 4.740 -1.270 0.000 0.188 458 N C 1.277 176.753 175.510 -0.057 0.000 1.146 458 N CA 0.316 53.325 53.050 -0.068 0.000 0.893 458 N CB 0.121 38.599 38.487 -0.015 0.000 0.975 458 N HN 0.076 nan 8.380 nan 0.000 0.451 459 E N -0.497 119.647 120.200 -0.094 0.000 2.110 459 E HA -0.129 3.459 4.350 -1.270 0.000 0.193 459 E C -0.248 176.318 176.600 -0.057 0.000 0.988 459 E CA 1.010 57.376 56.400 -0.057 0.000 0.804 459 E CB -0.039 29.575 29.700 -0.142 0.000 0.745 459 E HN 0.617 nan 8.360 nan 0.000 0.458 460 Y N -3.323 116.842 120.300 -0.225 0.000 2.624 460 Y HA 0.496 4.282 4.550 -1.273 0.000 0.334 460 Y C -1.020 174.825 175.900 -0.092 0.000 1.155 460 Y CA -1.243 56.775 58.100 -0.136 0.000 1.046 460 Y CB 0.878 39.210 38.460 -0.212 0.000 1.316 460 Y HN -0.377 nan 8.280 nan 0.000 0.457 461 T N 3.093 117.735 114.554 0.146 0.000 2.791 461 T HA 0.250 3.838 4.350 -1.270 0.000 0.288 461 T C -1.007 173.788 174.700 0.160 0.000 0.999 461 T CA -0.637 61.492 62.100 0.048 0.000 0.952 461 T CB 0.635 69.521 68.868 0.030 0.000 0.938 461 T HN 0.556 nan 8.240 nan 0.000 0.444 462 D N 2.361 122.829 120.400 0.113 0.000 2.449 462 D HA 0.094 3.972 4.640 -1.270 0.000 0.236 462 D C 0.352 176.714 176.300 0.103 0.000 1.149 462 D CA 0.210 54.304 54.000 0.158 0.000 0.878 462 D CB 0.700 41.562 40.800 0.104 0.000 1.198 462 D HN 0.376 nan 8.370 nan 0.000 0.446 463 L N 2.983 124.273 121.223 0.112 0.000 2.375 463 L HA 0.268 3.845 4.340 -1.270 0.000 0.271 463 L C -1.982 174.916 176.870 0.046 0.000 1.107 463 L CA -1.790 53.095 54.840 0.074 0.000 0.806 463 L CB 0.724 42.833 42.059 0.083 0.000 1.146 463 L HN 0.103 nan 8.230 nan 0.000 0.447 464 P HA -0.012 nan 4.420 nan 0.000 0.265 464 P C -1.503 175.771 177.300 -0.045 0.000 1.187 464 P CA 0.191 63.277 63.100 -0.024 0.000 0.766 464 P CB 0.300 31.971 31.700 -0.048 0.000 0.820 465 N N 0.102 118.765 118.700 -0.062 0.000 2.396 465 N HA 0.608 4.586 4.740 -1.270 0.000 0.275 465 N C -1.576 173.835 175.510 -0.164 0.000 1.218 465 N CA -1.085 51.882 53.050 -0.138 0.000 0.812 465 N CB 2.185 40.668 38.487 -0.007 0.000 1.592 465 N HN 0.138 nan 8.380 nan 0.000 0.480 466 K N 1.052 121.278 120.400 -0.290 0.000 2.535 466 K HA 0.528 4.085 4.320 -1.270 0.000 0.251 466 K C -2.143 174.329 176.600 -0.213 0.000 0.942 466 K CA -0.843 55.323 56.287 -0.200 0.000 0.798 466 K CB 1.500 33.892 32.500 -0.179 0.000 1.267 466 K HN 0.589 nan 8.250 nan 0.000 0.434 467 L N 5.732 126.915 121.223 -0.067 0.000 2.349 467 L HA 0.595 4.173 4.340 -1.270 0.000 0.278 467 L C -1.275 175.585 176.870 -0.017 0.000 0.996 467 L CA -0.553 54.300 54.840 0.022 0.000 0.825 467 L CB 1.592 43.748 42.059 0.161 0.000 1.243 467 L HN 0.432 nan 8.230 nan 0.000 0.412 468 V N 1.926 121.822 119.914 -0.030 0.000 3.102 468 V HA 0.706 4.063 4.120 -1.270 0.000 0.312 468 V C -0.959 175.114 176.094 -0.036 0.000 1.135 468 V CA -0.971 61.306 62.300 -0.038 0.000 1.022 468 V CB 1.882 33.673 31.823 -0.053 0.000 1.056 468 V HN 0.866 nan 8.190 nan 0.000 0.436 469 K N 1.567 121.946 120.400 -0.034 0.000 2.292 469 K HA 0.803 4.361 4.320 -1.270 0.000 0.257 469 K C -1.821 174.754 176.600 -0.041 0.000 0.940 469 K CA -0.634 55.631 56.287 -0.038 0.000 0.811 469 K CB 2.185 34.671 32.500 -0.023 0.000 1.120 469 K HN 0.724 nan 8.250 nan 0.000 0.428 470 V N 5.528 125.407 119.914 -0.059 0.000 2.487 470 V HA 0.353 3.710 4.120 -1.270 0.000 0.298 470 V C -0.217 175.850 176.094 -0.044 0.000 1.028 470 V CA -1.050 61.221 62.300 -0.048 0.000 0.860 470 V CB 1.468 33.257 31.823 -0.057 0.000 0.991 470 V HN 0.724 nan 8.190 nan 0.000 0.427 471 I N 6.155 126.715 120.570 -0.016 0.000 2.416 471 I HA 0.386 3.794 4.170 -1.270 0.000 0.288 471 I C 0.152 176.281 176.117 0.020 0.000 1.051 471 I CA 0.086 61.386 61.300 -0.001 0.000 1.375 471 I CB 1.250 39.254 38.000 0.007 0.000 1.407 471 I HN 0.515 nan 8.210 nan 0.000 0.516 472 V N 6.051 125.988 119.914 0.038 0.000 2.823 472 V HA 0.556 3.914 4.120 -1.270 0.000 0.312 472 V C -1.664 174.481 176.094 0.084 0.000 1.072 472 V CA -1.356 60.995 62.300 0.085 0.000 0.937 472 V CB 1.616 33.541 31.823 0.172 0.000 1.013 472 V HN 0.530 nan 8.190 nan 0.000 0.430 473 P HA -0.132 nan 4.420 nan 0.000 0.216 473 P C 0.036 177.378 177.300 0.071 0.000 1.157 473 P CA 1.705 64.841 63.100 0.061 0.000 0.880 473 P CB 0.239 31.969 31.700 0.050 0.000 0.791 474 D N -1.153 119.307 120.400 0.100 0.000 2.476 474 D HA 0.134 4.012 4.640 -1.270 0.000 0.251 474 D C 1.101 177.515 176.300 0.191 0.000 1.291 474 D CA -0.647 53.417 54.000 0.106 0.000 0.939 474 D CB 0.848 41.688 40.800 0.067 0.000 1.221 474 D HN -0.044 nan 8.370 nan 0.000 0.567 475 R N 1.993 122.614 120.500 0.201 0.000 2.313 475 R HA 0.075 3.653 4.340 -1.270 0.000 0.199 475 R C 1.224 177.722 176.300 0.330 0.000 0.958 475 R CA 0.179 56.468 56.100 0.316 0.000 1.047 475 R CB 0.025 30.406 30.300 0.134 0.000 0.955 475 R HN 0.216 nan 8.270 nan 0.000 0.481 476 S N 1.841 117.655 115.700 0.189 0.000 2.481 476 S HA -0.018 3.690 4.470 -1.270 0.000 0.231 476 S C 1.870 176.532 174.600 0.104 0.000 0.996 476 S CA 0.663 58.943 58.200 0.133 0.000 0.942 476 S CB -0.276 62.972 63.200 0.080 0.000 0.768 476 S HN 0.586 nan 8.310 nan 0.000 0.520 477 I N -2.365 118.242 120.570 0.061 0.000 3.111 477 I HA 0.215 3.622 4.170 -1.270 0.000 0.272 477 I C -0.479 175.518 176.117 -0.200 0.000 1.268 477 I CA 0.244 61.476 61.300 -0.113 0.000 1.467 477 I CB -0.493 37.355 38.000 -0.254 0.000 1.087 477 I HN 0.048 nan 8.210 nan 0.000 0.467 478 F N 3.140 123.111 119.950 0.035 0.000 2.405 478 F HA 0.446 4.210 4.527 -1.273 0.000 0.358 478 F C 0.233 176.059 175.800 0.044 0.000 1.151 478 F CA -0.308 57.717 58.000 0.041 0.000 1.161 478 F CB 0.354 39.383 39.000 0.049 0.000 1.245 478 F HN -0.148 nan 8.300 nan 0.000 0.545 479 K N 1.736 122.218 120.400 0.137 0.000 2.206 479 K HA 0.528 4.085 4.320 -1.270 0.000 0.264 479 K C 0.198 176.859 176.600 0.103 0.000 0.967 479 K CA -0.613 55.735 56.287 0.102 0.000 0.844 479 K CB 1.496 34.026 32.500 0.050 0.000 1.099 479 K HN 0.588 nan 8.250 nan 0.000 0.441 480 T N -1.912 112.698 114.554 0.093 0.000 2.905 480 T HA 0.776 4.364 4.350 -1.270 0.000 0.283 480 T C -0.158 174.566 174.700 0.039 0.000 1.031 480 T CA -0.651 61.496 62.100 0.077 0.000 1.002 480 T CB 1.937 70.859 68.868 0.089 0.000 1.200 480 T HN 0.409 nan 8.240 nan 0.000 0.560 481 T N -0.447 114.120 114.554 0.021 0.000 2.693 481 T HA 0.413 4.000 4.350 -1.270 0.000 0.304 481 T C -1.061 173.627 174.700 -0.020 0.000 1.471 481 T CA -0.026 62.074 62.100 0.000 0.000 0.993 481 T CB 0.840 69.712 68.868 0.006 0.000 1.554 481 T HN 1.202 nan 8.240 nan 0.000 0.496 482 N N 0.991 119.674 118.700 -0.029 0.000 2.708 482 N HA -0.188 3.790 4.740 -1.270 0.000 0.255 482 N C 0.294 175.756 175.510 -0.080 0.000 1.046 482 N CA 0.904 53.928 53.050 -0.044 0.000 0.715 482 N CB -1.189 37.276 38.487 -0.037 0.000 0.895 482 N HN 1.755 nan 8.380 nan 0.000 0.545 483 A N 0.896 123.664 122.820 -0.086 0.000 2.822 483 A HA -0.242 3.316 4.320 -1.270 0.000 0.287 483 A C 0.826 178.312 177.584 -0.163 0.000 1.479 483 A CA 2.079 54.042 52.037 -0.124 0.000 0.779 483 A CB -1.920 17.004 19.000 -0.126 0.000 1.022 483 A HN 0.907 nan 8.150 nan 0.000 0.532 484 E N -3.184 116.953 120.200 -0.106 0.000 3.370 484 E HA -0.339 3.249 4.350 -1.270 0.000 0.291 484 E C 0.912 177.446 176.600 -0.110 0.000 0.916 484 E CA 1.334 57.697 56.400 -0.062 0.000 0.981 484 E CB -1.034 28.652 29.700 -0.023 0.000 1.498 484 E HN 0.904 nan 8.360 nan 0.000 0.452 485 R N 0.014 120.402 120.500 -0.185 0.000 2.280 485 R HA 0.071 3.649 4.340 -1.270 0.000 0.195 485 R C 0.313 176.603 176.300 -0.017 0.000 0.935 485 R CA 0.733 56.704 56.100 -0.214 0.000 1.033 485 R CB 0.538 30.677 30.300 -0.268 0.000 0.964 485 R HN -0.077 nan 8.270 nan 0.000 0.489 486 T N 1.214 115.774 114.554 0.010 0.000 2.809 486 T HA 0.243 3.831 4.350 -1.270 0.000 0.284 486 T C -1.106 173.637 174.700 0.072 0.000 0.992 486 T CA -0.587 61.539 62.100 0.045 0.000 0.957 486 T CB 1.891 70.772 68.868 0.021 0.000 0.942 486 T HN -0.120 nan 8.240 nan 0.000 0.439 487 L N 5.657 126.939 121.223 0.099 0.000 2.342 487 L HA 0.292 3.870 4.340 -1.270 0.000 0.285 487 L C 1.105 178.018 176.870 0.072 0.000 1.095 487 L CA 0.402 55.311 54.840 0.115 0.000 0.843 487 L CB 0.377 42.529 42.059 0.156 0.000 1.201 487 L HN 0.568 nan 8.230 nan 0.000 0.445 488 V N 3.209 123.158 119.914 0.057 0.000 2.488 488 V HA 0.042 3.400 4.120 -1.270 0.000 0.246 488 V C 0.865 176.968 176.094 0.015 0.000 1.046 488 V CA 0.952 63.271 62.300 0.032 0.000 1.053 488 V CB -0.263 31.576 31.823 0.026 0.000 0.679 488 V HN 0.814 nan 8.190 nan 0.000 0.458 489 E N 0.294 120.500 120.200 0.010 0.000 2.314 489 E HA 0.341 3.928 4.350 -1.270 0.000 0.272 489 E C -2.837 173.702 176.600 -0.101 0.000 0.884 489 E CA -2.408 53.968 56.400 -0.041 0.000 0.753 489 E CB 2.864 32.537 29.700 -0.044 0.000 1.213 489 E HN 0.064 nan 8.360 nan 0.000 0.432 490 P HA 0.009 nan 4.420 nan 0.000 0.269 490 P C -0.816 176.446 177.300 -0.064 0.000 1.215 490 P CA -0.226 62.783 63.100 -0.151 0.000 0.780 490 P CB 0.598 32.169 31.700 -0.215 0.000 0.898 491 K N 1.048 121.420 120.400 -0.048 0.000 2.448 491 K HA 0.185 3.743 4.320 -1.270 0.000 0.278 491 K C 1.534 178.127 176.600 -0.012 0.000 1.009 491 K CA 0.978 57.252 56.287 -0.022 0.000 0.995 491 K CB -0.464 32.024 32.500 -0.019 0.000 0.917 491 K HN 0.894 nan 8.250 nan 0.000 0.481 492 G N 2.522 111.323 108.800 0.002 0.000 2.267 492 G HA2 -0.379 2.819 3.960 -1.270 0.000 0.257 492 G HA3 -0.379 2.819 3.960 -1.270 0.000 0.257 492 G C 0.926 175.838 174.900 0.020 0.000 0.998 492 G CA 0.631 45.737 45.100 0.009 0.000 0.620 492 G HN 0.622 nan 8.290 nan 0.000 0.529 493 M N -0.346 119.268 119.600 0.023 0.000 2.132 493 M HA -0.031 3.686 4.480 -1.270 0.000 0.263 493 M C 2.464 178.801 176.300 0.061 0.000 1.065 493 M CA 2.736 58.064 55.300 0.048 0.000 1.122 493 M CB -0.092 32.547 32.600 0.064 0.000 1.365 493 M HN 0.327 nan 8.290 nan 0.000 0.411 494 Q N 0.757 120.593 119.800 0.060 0.000 2.124 494 Q HA -0.197 3.380 4.340 -1.270 0.000 0.202 494 Q C 1.314 177.345 176.000 0.051 0.000 0.977 494 Q CA 2.041 57.883 55.803 0.065 0.000 0.850 494 Q CB -0.328 28.445 28.738 0.059 0.000 0.901 494 Q HN 0.508 nan 8.270 nan 0.000 0.429 495 D N -0.331 120.092 120.400 0.038 0.000 2.117 495 D HA -0.161 3.717 4.640 -1.270 0.000 0.197 495 D C 1.621 177.940 176.300 0.031 0.000 0.987 495 D CA 1.373 55.391 54.000 0.030 0.000 0.829 495 D CB -0.080 40.733 40.800 0.021 0.000 0.961 495 D HN 0.342 nan 8.370 nan 0.000 0.460 496 E N 0.463 120.684 120.200 0.035 0.000 2.107 496 E HA -0.032 3.556 4.350 -1.270 0.000 0.191 496 E C 2.155 178.782 176.600 0.046 0.000 0.982 496 E CA 0.440 56.862 56.400 0.036 0.000 0.809 496 E CB -0.255 29.467 29.700 0.037 0.000 0.756 496 E HN 0.268 nan 8.360 nan 0.000 0.459 497 I N 0.991 121.596 120.570 0.058 0.000 2.163 497 I HA -0.276 3.132 4.170 -1.270 0.000 0.243 497 I C 1.648 177.805 176.117 0.066 0.000 1.085 497 I CA 1.458 62.800 61.300 0.071 0.000 1.347 497 I CB -0.377 37.676 38.000 0.087 0.000 1.044 497 I HN 0.117 nan 8.210 nan 0.000 0.408 498 D N 1.047 121.481 120.400 0.056 0.000 2.123 498 D HA -0.189 3.689 4.640 -1.270 0.000 0.196 498 D C 2.157 178.477 176.300 0.033 0.000 0.992 498 D CA 1.270 55.297 54.000 0.047 0.000 0.833 498 D CB -0.218 40.604 40.800 0.037 0.000 0.954 498 D HN 0.279 nan 8.370 nan 0.000 0.455 499 K N 0.080 120.495 120.400 0.024 0.000 2.026 499 K HA -0.075 3.482 4.320 -1.270 0.000 0.208 499 K C 2.343 178.941 176.600 -0.003 0.000 1.048 499 K CA 0.657 56.947 56.287 0.005 0.000 0.929 499 K CB -0.214 32.289 32.500 0.006 0.000 0.713 499 K HN 0.133 nan 8.250 nan 0.000 0.439 500 L N 0.471 121.710 121.223 0.027 0.000 2.017 500 L HA -0.207 3.370 4.340 -1.270 0.000 0.208 500 L C 2.376 179.295 176.870 0.082 0.000 1.073 500 L CA 0.957 55.829 54.840 0.053 0.000 0.745 500 L CB -0.519 41.595 42.059 0.092 0.000 0.894 500 L HN 0.007 nan 8.230 nan 0.000 0.432 501 V N 0.219 120.194 119.914 0.101 0.000 2.343 501 V HA -0.288 3.069 4.120 -1.270 0.000 0.247 501 V C 2.717 178.858 176.094 0.078 0.000 1.051 501 V CA 1.748 64.134 62.300 0.143 0.000 1.036 501 V CB -0.919 30.972 31.823 0.114 0.000 0.654 501 V HN 0.500 nan 8.190 nan 0.000 0.451 502 A N -0.784 122.040 122.820 0.007 0.000 2.131 502 A HA -0.226 3.331 4.320 -1.270 0.000 0.220 502 A C 2.072 179.580 177.584 -0.127 0.000 1.158 502 A CA 1.306 53.323 52.037 -0.034 0.000 0.665 502 A CB -0.356 18.626 19.000 -0.029 0.000 0.795 502 A HN 0.551 nan 8.150 nan 0.000 0.460 503 Q N -1.274 118.352 119.800 -0.290 0.000 2.369 503 Q HA 0.005 3.582 4.340 -1.270 0.000 0.206 503 Q C -0.604 174.963 176.000 -0.721 0.000 0.963 503 Q CA 0.800 56.253 55.803 -0.584 0.000 0.894 503 Q CB -0.215 27.979 28.738 -0.907 0.000 0.965 503 Q HN 0.815 nan 8.270 nan 0.000 0.475 504 Y N -0.433 119.873 120.300 0.009 0.000 2.462 504 Y HA 0.417 4.968 4.550 0.002 0.000 0.346 504 Y C -2.140 173.768 175.900 0.014 0.000 0.976 504 Y CA -3.147 54.959 58.100 0.009 0.000 1.044 504 Y CB 1.167 39.630 38.460 0.004 0.000 1.230 504 Y HN -0.152 nan 8.280 nan 0.000 0.455 505 P HA 0.143 nan 4.420 nan 0.000 0.271 505 P C -0.518 176.846 177.300 0.106 0.000 1.216 505 P CA 0.355 63.515 63.100 0.099 0.000 0.771 505 P CB 0.351 32.098 31.700 0.077 0.000 0.864 506 N N -0.729 118.023 118.700 0.086 0.000 2.909 506 N HA -0.165 3.813 4.740 -1.270 0.000 0.242 506 N C 0.601 176.169 175.510 0.097 0.000 0.975 506 N CA 0.847 53.946 53.050 0.082 0.000 0.921 506 N CB -1.826 36.705 38.487 0.073 0.000 1.112 506 N HN 0.623 nan 8.380 nan 0.000 0.581 507 G N 0.603 109.478 108.800 0.125 0.000 2.353 507 G HA2 0.335 3.533 3.960 -1.270 0.000 0.239 507 G HA3 0.335 3.533 3.960 -1.270 0.000 0.239 507 G C -0.067 174.908 174.900 0.124 0.000 1.295 507 G CA 0.127 45.314 45.100 0.145 0.000 0.884 507 G HN 0.337 nan 8.290 nan 0.000 0.537 508 R N 0.520 121.095 120.500 0.125 0.000 2.560 508 R HA 0.484 4.062 4.340 -1.270 0.000 0.267 508 R C -1.556 174.856 176.300 0.187 0.000 1.150 508 R CA -0.467 55.729 56.100 0.160 0.000 0.997 508 R CB 1.646 32.058 30.300 0.186 0.000 1.250 508 R HN 0.687 nan 8.270 nan 0.000 0.433 509 S N 4.325 120.151 115.700 0.209 0.000 2.533 509 S HA 0.777 4.484 4.470 -1.270 0.000 0.271 509 S C -1.622 173.150 174.600 0.287 0.000 1.143 509 S CA -0.657 57.663 58.200 0.200 0.000 0.891 509 S CB 0.941 64.185 63.200 0.073 0.000 1.105 509 S HN 0.460 nan 8.310 nan 0.000 0.468 510 F N 1.745 121.748 119.950 0.090 0.000 2.613 510 F HA 0.897 4.659 4.527 -1.275 0.000 0.310 510 F C -1.739 174.082 175.800 0.035 0.000 1.085 510 F CA -0.985 57.037 58.000 0.037 0.000 0.945 510 F CB 1.089 40.074 39.000 -0.026 0.000 1.298 510 F HN 0.331 nan 8.300 nan 0.000 0.455 511 V N 2.738 122.706 119.914 0.089 0.000 2.604 511 V HA 0.809 4.167 4.120 -1.270 0.000 0.305 511 V C -0.813 175.339 176.094 0.097 0.000 1.043 511 V CA -0.790 61.501 62.300 -0.016 0.000 0.888 511 V CB 1.996 33.843 31.823 0.040 0.000 0.995 511 V HN 1.015 nan 8.190 nan 0.000 0.429 512 R N 3.084 123.586 120.500 0.004 0.000 2.629 512 R HA 0.833 4.411 4.340 -1.270 0.000 0.266 512 R C -0.900 175.385 176.300 -0.025 0.000 1.051 512 R CA -0.669 55.479 56.100 0.079 0.000 0.895 512 R CB 1.719 32.154 30.300 0.225 0.000 1.246 512 R HN 0.779 nan 8.270 nan 0.000 0.459 513 A N 1.736 124.553 122.820 -0.005 0.000 2.407 513 A HA 0.384 3.941 4.320 -1.270 0.000 0.248 513 A C 0.245 177.852 177.584 0.038 0.000 1.082 513 A CA -0.124 51.895 52.037 -0.030 0.000 0.785 513 A CB 0.955 19.988 19.000 0.056 0.000 1.020 513 A HN 0.740 nan 8.150 nan 0.000 0.489 514 S N 0.586 116.298 115.700 0.020 0.000 2.592 514 S HA 0.456 4.164 4.470 -1.270 0.000 0.271 514 S C 1.097 175.729 174.600 0.053 0.000 1.326 514 S CA 0.116 58.342 58.200 0.043 0.000 1.024 514 S CB 0.862 64.076 63.200 0.023 0.000 0.921 514 S HN 1.268 nan 8.310 nan 0.000 0.527 515 G N 0.462 109.298 108.800 0.060 0.000 3.324 515 G HA2 0.171 3.368 3.960 -1.270 0.000 0.251 515 G HA3 0.171 3.368 3.960 -1.270 0.000 0.251 515 G C 0.824 175.750 174.900 0.042 0.000 1.072 515 G CA 0.418 45.553 45.100 0.058 0.000 0.787 515 G HN 0.870 nan 8.290 nan 0.000 0.537 516 T N -2.070 112.507 114.554 0.039 0.000 3.043 516 T HA 0.348 3.936 4.350 -1.270 0.000 0.272 516 T C 0.206 174.921 174.700 0.025 0.000 0.990 516 T CA 0.089 62.207 62.100 0.030 0.000 0.897 516 T CB 0.248 69.140 68.868 0.041 0.000 1.111 516 T HN 0.462 nan 8.240 nan 0.000 0.529 517 E N -0.085 120.131 120.200 0.027 0.000 2.400 517 E HA 0.224 3.811 4.350 -1.270 0.000 0.285 517 E C -1.895 174.718 176.600 0.021 0.000 1.005 517 E CA -0.968 55.445 56.400 0.021 0.000 0.816 517 E CB 0.405 30.115 29.700 0.017 0.000 1.220 517 E HN -0.111 nan 8.360 nan 0.000 0.426 518 D N 1.960 122.373 120.400 0.022 0.000 2.380 518 D HA 0.293 4.170 4.640 -1.270 0.000 0.270 518 D C -0.895 175.412 176.300 0.012 0.000 1.363 518 D CA 1.025 55.039 54.000 0.023 0.000 1.057 518 D CB -0.005 40.810 40.800 0.025 0.000 1.096 518 D HN 0.690 nan 8.370 nan 0.000 0.524 519 A N 2.391 125.211 122.820 0.000 0.000 2.522 519 A HA 0.420 3.978 4.320 -1.270 0.000 0.291 519 A C -1.523 176.015 177.584 -0.076 0.000 1.039 519 A CA -0.703 51.317 52.037 -0.029 0.000 0.643 519 A CB 0.951 19.937 19.000 -0.023 0.000 1.310 519 A HN 0.136 nan 8.150 nan 0.000 0.436 520 V N 1.439 121.265 119.914 -0.147 0.000 2.459 520 V HA 0.541 3.899 4.120 -1.270 0.000 0.295 520 V C 0.121 176.111 176.094 -0.173 0.000 1.029 520 V CA -0.552 61.589 62.300 -0.266 0.000 0.874 520 V CB 1.646 33.109 31.823 -0.599 0.000 0.985 520 V HN 0.820 nan 8.190 nan 0.000 0.438 521 R N 2.936 123.364 120.500 -0.121 0.000 2.368 521 R HA 0.701 4.279 4.340 -1.270 0.000 0.302 521 R C -1.313 174.916 176.300 -0.118 0.000 1.002 521 R CA -0.594 55.470 56.100 -0.059 0.000 0.929 521 R CB 1.914 32.248 30.300 0.056 0.000 1.073 521 R HN 0.485 nan 8.270 nan 0.000 0.464 522 V N 4.240 124.090 119.914 -0.106 0.000 2.376 522 V HA 0.210 3.568 4.120 -1.270 0.000 0.287 522 V C -1.088 174.926 176.094 -0.134 0.000 1.015 522 V CA -0.854 61.354 62.300 -0.154 0.000 0.834 522 V CB 0.997 32.752 31.823 -0.112 0.000 1.001 522 V HN 0.625 nan 8.190 nan 0.000 0.428 523 Y N 4.214 124.266 120.300 -0.414 0.000 2.387 523 Y HA 0.821 4.613 4.550 -1.263 0.000 0.336 523 Y C 0.005 175.804 175.900 -0.170 0.000 1.067 523 Y CA -0.411 57.513 58.100 -0.294 0.000 1.114 523 Y CB 1.707 39.881 38.460 -0.477 0.000 1.208 523 Y HN 0.746 nan 8.280 nan 0.000 0.458 524 A N 5.153 127.415 122.820 -0.930 0.000 2.549 524 A HA 0.712 4.270 4.320 -1.270 0.000 0.297 524 A C -1.657 175.506 177.584 -0.702 0.000 1.061 524 A CA -0.766 50.931 52.037 -0.566 0.000 0.690 524 A CB 1.572 20.397 19.000 -0.292 0.000 1.287 524 A HN 0.798 nan 8.150 nan 0.000 0.402 525 E N 0.364 120.390 120.200 -0.291 0.000 2.366 525 E HA 0.808 4.396 4.350 -1.270 0.000 0.278 525 E C -0.688 175.880 176.600 -0.053 0.000 0.923 525 E CA -0.710 55.605 56.400 -0.142 0.000 0.761 525 E CB 2.071 31.803 29.700 0.054 0.000 1.231 525 E HN 1.637 nan 8.360 nan 0.000 0.443 526 A N 1.376 124.166 122.820 -0.050 0.000 2.557 526 A HA 0.389 3.946 4.320 -1.270 0.000 0.292 526 A C -0.131 177.452 177.584 -0.002 0.000 1.139 526 A CA -0.077 51.945 52.037 -0.024 0.000 0.665 526 A CB 0.975 19.899 19.000 -0.126 0.000 1.285 526 A HN 0.824 nan 8.150 nan 0.000 0.433 527 D N -0.146 120.268 120.400 0.024 0.000 2.144 527 D HA -0.034 3.844 4.640 -1.270 0.000 0.200 527 D C 0.856 177.160 176.300 0.007 0.000 0.978 527 D CA 2.167 56.185 54.000 0.030 0.000 0.833 527 D CB -0.455 40.376 40.800 0.051 0.000 0.961 527 D HN 0.796 nan 8.370 nan 0.000 0.470 528 T N -3.959 110.585 114.554 -0.017 0.000 2.930 528 T HA 0.357 3.944 4.350 -1.270 0.000 0.290 528 T C 0.683 175.344 174.700 -0.065 0.000 1.052 528 T CA -0.740 61.343 62.100 -0.029 0.000 1.017 528 T CB 2.571 71.430 68.868 -0.015 0.000 1.137 528 T HN -0.137 nan 8.240 nan 0.000 0.511 529 Q N 0.788 120.554 119.800 -0.057 0.000 2.119 529 Q HA -0.079 3.499 4.340 -1.270 0.000 0.201 529 Q C 1.859 177.803 176.000 -0.095 0.000 0.972 529 Q CA 1.902 57.660 55.803 -0.074 0.000 0.847 529 Q CB -0.518 28.186 28.738 -0.057 0.000 0.903 529 Q HN 0.693 nan 8.270 nan 0.000 0.433 530 N N 0.391 119.044 118.700 -0.078 0.000 2.084 530 N HA -0.127 3.851 4.740 -1.270 0.000 0.190 530 N C 1.315 176.738 175.510 -0.146 0.000 1.030 530 N CA 1.423 54.423 53.050 -0.082 0.000 0.849 530 N CB -0.516 37.945 38.487 -0.044 0.000 1.012 530 N HN 0.311 nan 8.380 nan 0.000 0.423 531 N N 0.757 119.345 118.700 -0.188 0.000 2.120 531 N HA -0.107 3.870 4.740 -1.270 0.000 0.188 531 N C 1.808 176.968 175.510 -0.582 0.000 1.024 531 N CA 0.456 53.240 53.050 -0.443 0.000 0.852 531 N CB -0.711 37.574 38.487 -0.336 0.000 1.003 531 N HN 0.046 nan 8.380 nan 0.000 0.424 532 V N 1.685 121.394 119.914 -0.343 0.000 2.626 532 V HA -0.133 3.224 4.120 -1.270 0.000 0.252 532 V C 1.892 177.837 176.094 -0.249 0.000 1.067 532 V CA 1.455 63.579 62.300 -0.295 0.000 1.081 532 V CB -0.190 31.511 31.823 -0.203 0.000 0.686 532 V HN 0.195 nan 8.190 nan 0.000 0.468 533 E N 0.646 120.722 120.200 -0.206 0.000 2.031 533 E HA -0.238 3.350 4.350 -1.270 0.000 0.193 533 E C 2.104 178.617 176.600 -0.144 0.000 0.994 533 E CA 1.960 58.270 56.400 -0.149 0.000 0.800 533 E CB -0.311 29.322 29.700 -0.111 0.000 0.752 533 E HN 0.908 nan 8.360 nan 0.000 0.447 534 E N 0.852 120.950 120.200 -0.171 0.000 2.107 534 E HA -0.142 3.446 4.350 -1.270 0.000 0.191 534 E C 2.261 178.803 176.600 -0.097 0.000 0.982 534 E CA 0.564 56.901 56.400 -0.105 0.000 0.809 534 E CB -0.332 29.342 29.700 -0.043 0.000 0.756 534 E HN 0.055 nan 8.360 nan 0.000 0.459 535 L N 1.663 122.743 121.223 -0.238 0.000 2.046 535 L HA -0.125 3.452 4.340 -1.270 0.000 0.208 535 L C 2.501 179.326 176.870 -0.074 0.000 1.077 535 L CA 1.957 56.731 54.840 -0.109 0.000 0.747 535 L CB -0.662 41.269 42.059 -0.213 0.000 0.896 535 L HN 0.141 nan 8.230 nan 0.000 0.432 536 S N -0.754 114.870 115.700 -0.127 0.000 2.356 536 S HA -0.231 3.477 4.470 -1.270 0.000 0.223 536 S C 2.066 176.625 174.600 -0.068 0.000 1.032 536 S CA 1.657 59.789 58.200 -0.112 0.000 1.005 536 S CB -0.200 62.917 63.200 -0.137 0.000 0.867 536 S HN 0.569 nan 8.310 nan 0.000 0.449 537 K N 0.871 121.236 120.400 -0.057 0.000 2.026 537 K HA 0.012 3.570 4.320 -1.270 0.000 0.208 537 K C 2.494 179.089 176.600 -0.008 0.000 1.048 537 K CA 1.201 57.469 56.287 -0.031 0.000 0.929 537 K CB -0.453 32.031 32.500 -0.027 0.000 0.713 537 K HN 0.431 nan 8.250 nan 0.000 0.439 538 A N 1.144 123.969 122.820 0.008 0.000 1.865 538 A HA -0.141 3.416 4.320 -1.270 0.000 0.217 538 A C 2.404 180.006 177.584 0.030 0.000 1.191 538 A CA 1.641 53.697 52.037 0.033 0.000 0.623 538 A CB -0.791 18.249 19.000 0.068 0.000 0.826 538 A HN 0.083 nan 8.150 nan 0.000 0.444 539 V N -0.153 119.775 119.914 0.023 0.000 2.515 539 V HA -0.182 3.176 4.120 -1.270 0.000 0.250 539 V C 2.693 178.795 176.094 0.012 0.000 1.058 539 V CA 2.158 64.472 62.300 0.023 0.000 1.064 539 V CB -0.673 31.157 31.823 0.011 0.000 0.675 539 V HN 0.541 nan 8.190 nan 0.000 0.461 540 S N -0.824 114.872 115.700 -0.007 0.000 2.402 540 S HA -0.152 3.556 4.470 -1.270 0.000 0.229 540 S C 2.022 176.627 174.600 0.010 0.000 1.021 540 S CA 0.913 59.106 58.200 -0.012 0.000 0.974 540 S CB -0.215 62.969 63.200 -0.027 0.000 0.800 540 S HN 0.552 nan 8.310 nan 0.000 0.484 541 E N 1.366 121.575 120.200 0.016 0.000 2.072 541 E HA -0.043 3.545 4.350 -1.270 0.000 0.191 541 E C 2.063 178.687 176.600 0.041 0.000 0.985 541 E CA 0.596 57.011 56.400 0.025 0.000 0.801 541 E CB -0.377 29.336 29.700 0.023 0.000 0.750 541 E HN 0.441 nan 8.360 nan 0.000 0.452 542 L N 0.302 121.555 121.223 0.049 0.000 2.013 542 L HA -0.223 3.355 4.340 -1.270 0.000 0.212 542 L C 2.468 179.399 176.870 0.100 0.000 1.073 542 L CA 1.149 56.030 54.840 0.068 0.000 0.753 542 L CB -0.385 41.719 42.059 0.076 0.000 0.890 542 L HN 0.033 nan 8.230 nan 0.000 0.432 543 V N -0.896 119.087 119.914 0.115 0.000 2.667 543 V HA -0.157 3.201 4.120 -1.270 0.000 0.252 543 V C 1.610 177.789 176.094 0.142 0.000 1.065 543 V CA 0.684 63.092 62.300 0.179 0.000 1.083 543 V CB -0.583 31.293 31.823 0.089 0.000 0.692 543 V HN 0.349 nan 8.190 nan 0.000 0.468 544 K N 0.000 120.447 120.400 0.078 0.000 2.780 544 K HA 0.000 3.558 4.320 -1.270 0.000 0.191 544 K CA 0.000 56.323 56.287 0.060 0.000 0.838 544 K CB 0.000 32.522 32.500 0.036 0.000 1.064 544 K HN 0.000 nan 8.250 nan 0.000 0.543