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 1jlh_1_D DATA FIRST_RESID 1 DATA SEQUENCE AALTRDPQFQ KLQQWYREHR SELNLRRLFD ANKDRFNHFS LTLNTNHGHI DATA SEQUENCE LVDYSKNLVT EDVMRMLVDL AKSRGVEAAR ERMFNGEKIN YTEGRAVLHV DATA SEQUENCE ALRNRSNTPI LVDGKDVMPE VNKVLDKMKS FCQRVRSGDW KGYTGKTITD DATA SEQUENCE VINIGIGGSD LGPLMVTEAL KPYSSGGPRV WYVSNIDGTH IAKTLAQLNP DATA SEQUENCE ESSLFIIASK TFTTQETITN AETAKEWFLQ AAKDPSAVAK HFVALSTNTT DATA SEQUENCE KVKEFGIDPQ NMFEFWDWVG GRYSLWSAIG LSIALHVGFD NFEQLLSGAH DATA SEQUENCE WMDQHFRTTP LEKNAPVLLA LLGIWYINCF GCETHAMLPY DQYLHRFAAY DATA SEQUENCE FQQGDMESNG KYITKSGTRV DHQTGPIVWG EPGTNGQHAF YQLIHQGTEM DATA SEQUENCE IPCDFLIPVQ TQHPIRKGLH HKILLANFLA QTEALMRGKS TEEARKELQA DATA SEQUENCE AGKSPEDLER LLPHKVFEGN RPTNSIVFTK LTPFMLGALV AMYEHKIFVQ DATA SEQUENCE GIIWDINSFD QWGVELGKQL AKKIEPELDG SAQVTSHDAS TNGLINFIKQ DATA SEQUENCE QREARV 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.661 177.584 0.128 0.000 1.274 1 A CA 0.000 52.109 52.037 0.120 0.000 0.836 1 A CB 0.000 19.120 19.000 0.200 0.000 0.831 2 A N 1.047 123.929 122.820 0.103 0.000 1.892 2 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 2 A C 1.989 179.602 177.584 0.048 0.000 1.188 2 A CA 2.354 54.432 52.037 0.067 0.000 0.631 2 A CB -0.638 18.391 19.000 0.047 0.000 0.822 2 A HN 1.976 nan 8.150 nan 0.000 0.447 3 L N -0.349 120.880 121.223 0.009 0.000 2.012 3 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 3 L C 2.405 179.208 176.870 -0.112 0.000 1.073 3 L CA 2.919 57.642 54.840 -0.194 0.000 0.748 3 L CB -1.167 40.559 42.059 -0.554 0.000 0.891 3 L HN 0.350 nan 8.230 nan 0.000 0.431 4 T N -0.143 114.443 114.554 0.054 0.000 2.881 4 T HA -0.143 4.207 4.350 -0.000 0.000 0.270 4 T C 1.735 176.602 174.700 0.278 0.000 1.068 4 T CA 1.512 63.791 62.100 0.298 0.000 1.131 4 T CB -0.233 68.809 68.868 0.290 0.000 0.871 4 T HN 0.420 nan 8.240 nan 0.000 0.479 5 R N 1.061 121.665 120.500 0.173 0.000 2.310 5 R HA 0.175 4.515 4.340 -0.000 0.000 0.202 5 R C 0.238 176.614 176.300 0.126 0.000 0.933 5 R CA -0.054 56.125 56.100 0.132 0.000 1.054 5 R CB 0.013 30.368 30.300 0.091 0.000 0.985 5 R HN 0.355 nan 8.270 nan 0.000 0.489 6 D N 1.187 121.682 120.400 0.158 0.000 2.383 6 D HA 0.051 4.691 4.640 -0.000 0.000 0.252 6 D C -1.638 174.754 176.300 0.154 0.000 1.166 6 D CA -1.991 52.090 54.000 0.137 0.000 0.879 6 D CB 1.434 42.311 40.800 0.128 0.000 1.164 6 D HN -0.198 nan 8.370 nan 0.000 0.462 7 P HA -0.185 nan 4.420 nan 0.000 0.215 7 P C 0.928 178.274 177.300 0.076 0.000 1.153 7 P CA 1.149 64.293 63.100 0.073 0.000 0.853 7 P CB 0.230 31.959 31.700 0.048 0.000 0.788 8 Q N -2.052 117.797 119.800 0.081 0.000 2.167 8 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 8 Q C 1.884 177.959 176.000 0.126 0.000 0.970 8 Q CA 1.179 57.026 55.803 0.073 0.000 0.855 8 Q CB -1.270 27.497 28.738 0.048 0.000 0.911 8 Q HN 0.245 nan 8.270 nan 0.000 0.438 9 F N 1.113 121.074 119.950 0.020 0.000 2.163 9 F HA -0.136 4.391 4.527 -0.000 0.000 0.297 9 F C 1.804 177.648 175.800 0.072 0.000 1.094 9 F CA 1.457 59.480 58.000 0.038 0.000 1.290 9 F CB -0.182 38.830 39.000 0.020 0.000 1.017 9 F HN 0.072 nan 8.300 nan 0.000 0.483 10 Q N 0.168 119.935 119.800 -0.054 0.000 2.124 10 Q HA -0.246 4.094 4.340 -0.000 0.000 0.202 10 Q C 2.268 178.229 176.000 -0.065 0.000 0.977 10 Q CA 1.813 57.544 55.803 -0.120 0.000 0.850 10 Q CB -0.344 28.399 28.738 0.008 0.000 0.901 10 Q HN 0.436 nan 8.270 nan 0.000 0.429 11 K N 1.010 121.411 120.400 0.003 0.000 2.057 11 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 11 K C 1.999 178.657 176.600 0.097 0.000 1.049 11 K CA 0.826 57.145 56.287 0.054 0.000 0.931 11 K CB -0.026 32.502 32.500 0.047 0.000 0.714 11 K HN 0.150 nan 8.250 nan 0.000 0.440 12 L N 0.909 122.161 121.223 0.048 0.000 2.017 12 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 12 L C 2.708 179.727 176.870 0.247 0.000 1.073 12 L CA 1.485 56.413 54.840 0.147 0.000 0.745 12 L CB -0.377 41.767 42.059 0.141 0.000 0.894 12 L HN 0.337 nan 8.230 nan 0.000 0.432 13 Q N -0.649 119.122 119.800 -0.050 0.000 2.030 13 Q HA -0.330 4.010 4.340 -0.000 0.000 0.204 13 Q C 2.179 178.273 176.000 0.155 0.000 0.986 13 Q CA 2.112 57.886 55.803 -0.049 0.000 0.843 13 Q CB -0.271 28.285 28.738 -0.303 0.000 0.904 13 Q HN 0.505 nan 8.270 nan 0.000 0.420 14 Q N 0.012 119.882 119.800 0.116 0.000 2.045 14 Q HA -0.246 4.094 4.340 -0.000 0.000 0.206 14 Q C 1.847 177.989 176.000 0.236 0.000 0.991 14 Q CA 1.869 57.755 55.803 0.138 0.000 0.851 14 Q CB -0.346 28.458 28.738 0.111 0.000 0.911 14 Q HN 0.487 nan 8.270 nan 0.000 0.418 15 W N 0.178 121.577 121.300 0.166 0.000 2.335 15 W HA -0.309 4.351 4.660 -0.000 0.000 0.311 15 W C 2.110 178.834 176.519 0.342 0.000 1.213 15 W CA 2.088 59.589 57.345 0.259 0.000 1.274 15 W CB -0.647 28.915 29.460 0.169 0.000 1.148 15 W HN 0.383 nan 8.180 nan 0.000 0.498 16 Y N 1.146 121.776 120.300 0.550 0.000 2.128 16 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 16 Y C 2.561 178.456 175.900 -0.008 0.000 1.154 16 Y CA 2.665 60.964 58.100 0.331 0.000 1.149 16 Y CB -0.684 37.863 38.460 0.146 0.000 0.976 16 Y HN -0.152 nan 8.280 nan 0.000 0.505 17 R N 0.084 120.603 120.500 0.032 0.000 2.120 17 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 17 R C 2.018 178.166 176.300 -0.253 0.000 1.123 17 R CA 1.821 57.839 56.100 -0.135 0.000 0.975 17 R CB -0.221 30.071 30.300 -0.014 0.000 0.866 17 R HN 0.552 nan 8.270 nan 0.000 0.446 18 E N -1.251 118.787 120.200 -0.270 0.000 2.250 18 E HA -0.066 4.284 4.350 -0.000 0.000 0.192 18 E C 0.527 176.623 176.600 -0.839 0.000 0.986 18 E CA 0.738 56.835 56.400 -0.505 0.000 0.849 18 E CB 0.331 29.725 29.700 -0.510 0.000 0.797 18 E HN 0.511 nan 8.360 nan 0.000 0.482 19 H N -1.308 117.368 119.070 -0.657 0.000 3.078 19 H HA 0.238 4.794 4.556 -0.000 0.000 0.263 19 H C 1.206 176.255 175.328 -0.464 0.000 1.177 19 H CA -0.310 55.327 56.048 -0.685 0.000 1.128 19 H CB 0.387 29.422 29.762 -1.213 0.000 1.623 19 H HN -0.083 nan 8.280 nan 0.000 0.592 20 R N 1.343 121.627 120.500 -0.361 0.000 2.119 20 R HA -0.211 4.129 4.340 -0.000 0.000 0.246 20 R C 1.780 178.029 176.300 -0.085 0.000 1.146 20 R CA 2.142 58.073 56.100 -0.282 0.000 0.962 20 R CB -0.111 29.765 30.300 -0.708 0.000 0.863 20 R HN 0.415 nan 8.270 nan 0.000 0.442 21 S N 0.026 115.650 115.700 -0.127 0.000 2.419 21 S HA -0.147 4.323 4.470 -0.000 0.000 0.235 21 S C 1.461 176.069 174.600 0.014 0.000 1.019 21 S CA 1.427 59.597 58.200 -0.049 0.000 0.982 21 S CB -0.200 62.951 63.200 -0.082 0.000 0.789 21 S HN 0.563 nan 8.310 nan 0.000 0.490 22 E N 1.012 121.226 120.200 0.023 0.000 2.285 22 E HA 0.126 4.476 4.350 -0.000 0.000 0.194 22 E C 0.021 176.708 176.600 0.145 0.000 0.997 22 E CA 0.143 56.590 56.400 0.078 0.000 0.845 22 E CB -0.274 29.478 29.700 0.088 0.000 0.782 22 E HN 0.540 nan 8.360 nan 0.000 0.491 23 L N 3.028 124.372 121.223 0.202 0.000 2.536 23 L HA 0.078 4.418 4.340 -0.000 0.000 0.282 23 L C 0.174 177.175 176.870 0.218 0.000 1.147 23 L CA -0.049 54.955 54.840 0.273 0.000 0.936 23 L CB -0.377 41.942 42.059 0.433 0.000 1.279 23 L HN 0.049 nan 8.230 nan 0.000 0.461 24 N N 3.647 122.452 118.700 0.176 0.000 2.519 24 N HA 0.213 4.953 4.740 -0.000 0.000 0.286 24 N C 0.780 176.388 175.510 0.163 0.000 1.079 24 N CA -0.455 52.687 53.050 0.154 0.000 0.878 24 N CB 1.598 40.157 38.487 0.121 0.000 1.375 24 N HN 0.447 nan 8.380 nan 0.000 0.514 25 L N 2.501 123.833 121.223 0.183 0.000 2.021 25 L HA -0.243 4.097 4.340 -0.000 0.000 0.215 25 L C 2.525 179.576 176.870 0.302 0.000 1.074 25 L CA 1.546 56.540 54.840 0.257 0.000 0.760 25 L CB -0.235 41.956 42.059 0.221 0.000 0.889 25 L HN 0.527 nan 8.230 nan 0.000 0.433 26 R N -0.183 120.427 120.500 0.184 0.000 2.082 26 R HA -0.170 4.170 4.340 -0.000 0.000 0.234 26 R C 2.454 178.857 176.300 0.171 0.000 1.136 26 R CA 1.695 57.887 56.100 0.153 0.000 0.935 26 R CB -0.339 30.015 30.300 0.090 0.000 0.842 26 R HN 0.388 nan 8.270 nan 0.000 0.430 27 R N 0.468 121.049 120.500 0.136 0.000 2.096 27 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 27 R C 2.419 178.789 176.300 0.117 0.000 1.127 27 R CA 1.076 57.245 56.100 0.114 0.000 0.968 27 R CB -0.353 30.003 30.300 0.094 0.000 0.861 27 R HN 0.230 nan 8.270 nan 0.000 0.440 28 L N -0.639 120.658 121.223 0.124 0.000 2.017 28 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 28 L C 2.086 178.954 176.870 -0.004 0.000 1.073 28 L CA 1.413 56.278 54.840 0.043 0.000 0.745 28 L CB -0.338 41.711 42.059 -0.018 0.000 0.894 28 L HN 0.092 nan 8.230 nan 0.000 0.432 29 F N 0.248 120.231 119.950 0.056 0.000 2.206 29 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 29 F C 2.112 177.937 175.800 0.040 0.000 1.090 29 F CA 1.253 59.282 58.000 0.049 0.000 1.323 29 F CB -0.361 38.658 39.000 0.032 0.000 1.028 29 F HN 0.090 nan 8.300 nan 0.000 0.492 30 D N -0.198 120.332 120.400 0.216 0.000 2.263 30 D HA -0.114 4.526 4.640 -0.000 0.000 0.208 30 D C 2.050 178.406 176.300 0.093 0.000 0.971 30 D CA 1.171 55.249 54.000 0.130 0.000 0.867 30 D CB -0.184 40.677 40.800 0.102 0.000 0.929 30 D HN 0.247 nan 8.370 nan 0.000 0.492 31 A N -0.392 122.479 122.820 0.085 0.000 2.095 31 A HA 0.069 4.389 4.320 -0.000 0.000 0.212 31 A C 0.954 178.572 177.584 0.057 0.000 1.162 31 A CA 0.072 52.148 52.037 0.065 0.000 0.753 31 A CB 0.239 19.277 19.000 0.064 0.000 0.840 31 A HN 0.070 nan 8.150 nan 0.000 0.468 32 N N 0.390 119.117 118.700 0.046 0.000 2.573 32 N HA 0.143 4.883 4.740 -0.000 0.000 0.262 32 N C 0.360 175.879 175.510 0.015 0.000 1.029 32 N CA -0.253 52.812 53.050 0.025 0.000 0.882 32 N CB 1.208 39.705 38.487 0.016 0.000 1.204 32 N HN 0.375 nan 8.380 nan 0.000 0.519 33 K N 1.016 121.430 120.400 0.023 0.000 2.486 33 K HA 0.094 4.414 4.320 -0.000 0.000 0.194 33 K C -0.402 176.192 176.600 -0.009 0.000 1.033 33 K CA 0.802 57.111 56.287 0.037 0.000 1.004 33 K CB 0.465 32.986 32.500 0.034 0.000 0.798 33 K HN 0.222 nan 8.250 nan 0.000 0.495 34 D N 1.166 121.481 120.400 -0.142 0.000 2.431 34 D HA 0.030 4.670 4.640 -0.000 0.000 0.213 34 D C 1.320 177.266 176.300 -0.590 0.000 1.130 34 D CA -0.073 53.712 54.000 -0.358 0.000 0.834 34 D CB 0.338 40.818 40.800 -0.535 0.000 0.985 34 D HN 0.245 nan 8.370 nan 0.000 0.504 35 R N 0.330 120.662 120.500 -0.280 0.000 2.119 35 R HA -0.216 4.124 4.340 -0.000 0.000 0.246 35 R C 2.038 178.345 176.300 0.011 0.000 1.146 35 R CA 1.239 57.258 56.100 -0.135 0.000 0.962 35 R CB -0.361 29.726 30.300 -0.355 0.000 0.863 35 R HN 0.119 nan 8.270 nan 0.000 0.442 36 F N 2.043 121.984 119.950 -0.015 0.000 2.069 36 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 36 F C 1.839 177.613 175.800 -0.043 0.000 1.113 36 F CA 1.903 59.934 58.000 0.052 0.000 1.214 36 F CB -0.519 38.533 39.000 0.087 0.000 0.978 36 F HN 0.083 nan 8.300 nan 0.000 0.474 37 N N 0.016 118.565 118.700 -0.253 0.000 2.104 37 N HA -0.212 4.528 4.740 -0.000 0.000 0.190 37 N C 1.767 177.125 175.510 -0.254 0.000 1.024 37 N CA 2.013 54.883 53.050 -0.300 0.000 0.853 37 N CB -1.028 37.396 38.487 -0.104 0.000 1.008 37 N HN 0.596 nan 8.380 nan 0.000 0.424 38 H N -1.528 117.321 119.070 -0.368 0.000 2.457 38 H HA 0.019 4.575 4.556 -0.000 0.000 0.294 38 H C 0.154 174.922 175.328 -0.934 0.000 1.064 38 H CA 0.510 56.169 56.048 -0.649 0.000 1.330 38 H CB 0.037 29.310 29.762 -0.815 0.000 1.395 38 H HN 0.152 nan 8.280 nan 0.000 0.541 39 F N 1.180 120.942 119.950 -0.313 0.000 2.597 39 F HA 0.267 4.793 4.527 -0.000 0.000 0.336 39 F C -0.168 174.875 175.800 -1.262 0.000 1.432 39 F CA -0.643 56.879 58.000 -0.797 0.000 1.120 39 F CB 0.857 39.465 39.000 -0.653 0.000 1.253 39 F HN -0.044 nan 8.300 nan 0.000 0.546 40 S N 0.169 115.493 115.700 -0.627 0.000 2.565 40 S HA 0.869 5.339 4.470 -0.000 0.000 0.269 40 S C -1.380 173.184 174.600 -0.059 0.000 1.153 40 S CA -0.867 57.108 58.200 -0.376 0.000 0.835 40 S CB 2.023 64.830 63.200 -0.655 0.000 1.122 40 S HN 0.185 nan 8.310 nan 0.000 0.462 41 L N 1.631 122.916 121.223 0.102 0.000 2.386 41 L HA 0.722 5.062 4.340 -0.000 0.000 0.271 41 L C -0.561 176.389 176.870 0.133 0.000 0.993 41 L CA -0.789 54.138 54.840 0.145 0.000 0.819 41 L CB 2.644 44.842 42.059 0.231 0.000 1.294 41 L HN 0.981 nan 8.230 nan 0.000 0.414 42 T N 0.908 115.541 114.554 0.130 0.000 2.791 42 T HA 0.684 5.034 4.350 -0.000 0.000 0.288 42 T C -0.561 174.243 174.700 0.173 0.000 0.999 42 T CA -0.607 61.591 62.100 0.163 0.000 0.952 42 T CB 0.863 69.830 68.868 0.165 0.000 0.938 42 T HN 0.322 nan 8.240 nan 0.000 0.444 43 L N 3.811 125.125 121.223 0.152 0.000 2.305 43 L HA 0.509 4.848 4.340 -0.000 0.000 0.284 43 L C 0.349 177.164 176.870 -0.092 0.000 1.013 43 L CA -0.842 54.072 54.840 0.124 0.000 0.819 43 L CB 1.492 43.636 42.059 0.141 0.000 1.227 43 L HN 0.753 nan 8.230 nan 0.000 0.417 44 N N 1.156 119.758 118.700 -0.163 0.000 2.457 44 N HA 0.126 4.866 4.740 -0.000 0.000 0.250 44 N C 0.821 176.092 175.510 -0.398 0.000 0.982 44 N CA -0.258 52.440 53.050 -0.587 0.000 0.941 44 N CB 1.249 39.412 38.487 -0.540 0.000 1.120 44 N HN 0.733 nan 8.380 nan 0.000 0.505 45 T N 0.804 114.942 114.554 -0.693 0.000 3.100 45 T HA 0.091 4.441 4.350 -0.000 0.000 0.253 45 T C 0.712 175.058 174.700 -0.589 0.000 1.118 45 T CA 0.131 61.619 62.100 -1.020 0.000 1.058 45 T CB -0.039 68.186 68.868 -1.071 0.000 0.953 45 T HN 0.695 nan 8.240 nan 0.000 0.515 46 N N 0.735 119.136 118.700 -0.499 0.000 2.967 46 N HA -0.148 4.592 4.740 -0.000 0.000 0.212 46 N C -0.380 174.646 175.510 -0.807 0.000 0.884 46 N CA 1.627 54.351 53.050 -0.545 0.000 1.030 46 N CB -1.435 36.737 38.487 -0.526 0.000 1.018 46 N HN 0.647 nan 8.380 nan 0.000 0.596 47 H N -0.360 118.438 119.070 -0.453 0.000 2.549 47 H HA 0.574 5.130 4.556 -0.000 0.000 0.253 47 H C 1.154 176.320 175.328 -0.269 0.000 1.170 47 H CA 0.645 56.407 56.048 -0.477 0.000 0.943 47 H CB 0.523 29.658 29.762 -1.046 0.000 1.849 47 H HN 0.465 nan 8.280 nan 0.000 0.603 48 G N 0.584 109.316 108.800 -0.113 0.000 2.402 48 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.666 48 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.666 48 G C -1.346 173.544 174.900 -0.018 0.000 1.402 48 G CA -1.017 44.100 45.100 0.029 0.000 0.920 48 G HN 0.366 nan 8.290 nan 0.000 0.651 49 H N -0.116 118.946 119.070 -0.013 0.000 2.502 49 H HA 0.639 5.195 4.556 -0.000 0.000 0.338 49 H C -0.020 175.345 175.328 0.063 0.000 1.155 49 H CA -0.211 55.836 56.048 -0.002 0.000 1.237 49 H CB 1.969 31.744 29.762 0.022 0.000 1.534 49 H HN 0.375 nan 8.280 nan 0.000 0.523 50 I N 3.555 124.219 120.570 0.157 0.000 2.447 50 I HA 0.058 4.228 4.170 -0.000 0.000 0.287 50 I C -0.876 175.359 176.117 0.198 0.000 1.023 50 I CA -0.766 60.648 61.300 0.191 0.000 1.083 50 I CB 1.977 40.045 38.000 0.113 0.000 1.245 50 I HN 0.138 nan 8.210 nan 0.000 0.434 51 L N 8.757 130.113 121.223 0.222 0.000 2.276 51 L HA 0.485 4.825 4.340 -0.000 0.000 0.286 51 L C -0.746 176.270 176.870 0.243 0.000 1.024 51 L CA -0.270 54.701 54.840 0.217 0.000 0.826 51 L CB 1.373 43.565 42.059 0.221 0.000 1.211 51 L HN 0.330 nan 8.230 nan 0.000 0.422 52 V N 4.849 124.903 119.914 0.233 0.000 2.288 52 V HA 0.271 4.391 4.120 -0.000 0.000 0.266 52 V C -0.296 175.980 176.094 0.303 0.000 1.048 52 V CA -0.524 61.940 62.300 0.273 0.000 0.842 52 V CB 0.715 32.688 31.823 0.250 0.000 1.064 52 V HN 0.714 nan 8.190 nan 0.000 0.472 53 D N 4.384 124.961 120.400 0.296 0.000 2.380 53 D HA 0.183 4.823 4.640 -0.000 0.000 0.230 53 D C 0.161 176.630 176.300 0.283 0.000 1.154 53 D CA -0.447 53.697 54.000 0.240 0.000 0.859 53 D CB 0.846 41.857 40.800 0.353 0.000 1.045 53 D HN 0.642 nan 8.370 nan 0.000 0.495 54 Y N 1.405 121.827 120.300 0.203 0.000 2.720 54 Y HA 0.248 4.798 4.550 -0.000 0.000 0.277 54 Y C 1.446 177.461 175.900 0.192 0.000 1.144 54 Y CA -0.364 57.853 58.100 0.195 0.000 1.221 54 Y CB -0.348 38.214 38.460 0.169 0.000 1.163 54 Y HN 0.199 nan 8.280 nan 0.000 0.537 55 S N 0.142 115.867 115.700 0.042 0.000 2.428 55 S HA -0.045 4.425 4.470 -0.000 0.000 0.230 55 S C 1.108 175.872 174.600 0.273 0.000 1.014 55 S CA 0.307 58.565 58.200 0.098 0.000 0.957 55 S CB -0.265 63.108 63.200 0.290 0.000 0.784 55 S HN 0.503 nan 8.310 nan 0.000 0.499 56 K N 1.955 122.558 120.400 0.338 0.000 2.745 56 K HA 0.255 4.575 4.320 -0.000 0.000 0.223 56 K C -0.351 176.385 176.600 0.227 0.000 1.057 56 K CA -0.131 56.349 56.287 0.321 0.000 1.217 56 K CB -0.183 32.390 32.500 0.121 0.000 0.993 56 K HN 0.388 nan 8.250 nan 0.000 0.478 57 N N 0.874 119.699 118.700 0.208 0.000 2.443 57 N HA 0.202 4.942 4.740 -0.000 0.000 0.293 57 N C -0.311 175.325 175.510 0.209 0.000 1.159 57 N CA -0.585 52.625 53.050 0.267 0.000 0.904 57 N CB 1.298 39.976 38.487 0.318 0.000 1.214 57 N HN -0.059 nan 8.380 nan 0.000 0.513 58 L N 2.567 123.996 121.223 0.343 0.000 2.437 58 L HA 0.179 4.519 4.340 -0.000 0.000 0.243 58 L C 0.164 177.255 176.870 0.368 0.000 1.346 58 L CA 0.108 55.159 54.840 0.352 0.000 1.233 58 L CB -1.743 40.576 42.059 0.434 0.000 1.436 58 L HN 0.277 nan 8.230 nan 0.000 0.416 59 V N -0.974 118.976 119.914 0.060 0.000 3.159 59 V HA 0.966 5.086 4.120 -0.000 0.000 0.308 59 V C -0.066 175.864 176.094 -0.274 0.000 1.190 59 V CA -0.569 61.643 62.300 -0.147 0.000 1.037 59 V CB 2.227 33.863 31.823 -0.312 0.000 1.060 59 V HN 0.454 nan 8.190 nan 0.000 0.437 60 T N -2.078 112.333 114.554 -0.238 0.000 2.831 60 T HA 0.551 4.900 4.350 -0.000 0.000 0.287 60 T C 0.511 175.233 174.700 0.035 0.000 1.070 60 T CA -0.306 61.746 62.100 -0.080 0.000 1.010 60 T CB 1.999 70.876 68.868 0.015 0.000 1.264 60 T HN 0.691 nan 8.240 nan 0.000 0.532 61 E N 0.671 120.994 120.200 0.206 0.000 2.085 61 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 61 E C 1.565 178.120 176.600 -0.075 0.000 0.994 61 E CA 1.387 57.859 56.400 0.121 0.000 0.801 61 E CB -0.257 29.460 29.700 0.029 0.000 0.743 61 E HN 0.631 nan 8.360 nan 0.000 0.453 62 D N 0.369 120.673 120.400 -0.159 0.000 2.117 62 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 62 D C 2.140 178.125 176.300 -0.525 0.000 0.987 62 D CA 0.882 54.698 54.000 -0.306 0.000 0.829 62 D CB 0.083 40.695 40.800 -0.312 0.000 0.961 62 D HN 0.020 nan 8.370 nan 0.000 0.460 63 V N 1.544 121.037 119.914 -0.703 0.000 2.261 63 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 63 V C 2.557 178.295 176.094 -0.593 0.000 1.047 63 V CA 1.227 62.990 62.300 -0.895 0.000 1.015 63 V CB -0.382 30.822 31.823 -1.033 0.000 0.642 63 V HN 0.192 nan 8.190 nan 0.000 0.446 64 M N -0.303 119.079 119.600 -0.364 0.000 2.149 64 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 64 M C 2.252 178.432 176.300 -0.201 0.000 1.064 64 M CA 1.724 56.895 55.300 -0.215 0.000 1.102 64 M CB -1.471 31.141 32.600 0.021 0.000 1.369 64 M HN 0.341 nan 8.290 nan 0.000 0.408 65 R N 0.130 120.511 120.500 -0.198 0.000 2.073 65 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 65 R C 2.147 178.337 176.300 -0.184 0.000 1.134 65 R CA 1.465 57.464 56.100 -0.167 0.000 0.952 65 R CB -0.081 30.127 30.300 -0.153 0.000 0.850 65 R HN 0.315 nan 8.270 nan 0.000 0.433 66 M N 0.419 119.868 119.600 -0.253 0.000 2.175 66 M HA -0.140 4.340 4.480 -0.000 0.000 0.264 66 M C 2.232 178.423 176.300 -0.180 0.000 1.063 66 M CA 1.372 56.543 55.300 -0.215 0.000 1.119 66 M CB -0.140 32.292 32.600 -0.281 0.000 1.377 66 M HN 0.212 nan 8.290 nan 0.000 0.415 67 L N -0.625 120.453 121.223 -0.242 0.000 2.046 67 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 67 L C 2.439 179.227 176.870 -0.137 0.000 1.077 67 L CA 0.871 55.597 54.840 -0.190 0.000 0.747 67 L CB -0.629 41.273 42.059 -0.261 0.000 0.896 67 L HN 0.103 nan 8.230 nan 0.000 0.432 68 V N -0.265 119.565 119.914 -0.140 0.000 2.407 68 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 68 V C 2.078 178.118 176.094 -0.091 0.000 1.055 68 V CA 1.799 64.033 62.300 -0.110 0.000 1.049 68 V CB -0.537 31.224 31.823 -0.104 0.000 0.662 68 V HN 0.451 nan 8.190 nan 0.000 0.455 69 D N -0.247 120.099 120.400 -0.089 0.000 2.144 69 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 69 D C 2.119 178.390 176.300 -0.049 0.000 0.984 69 D CA 0.990 54.951 54.000 -0.066 0.000 0.834 69 D CB -0.128 40.635 40.800 -0.061 0.000 0.955 69 D HN 0.326 nan 8.370 nan 0.000 0.465 70 L N 0.686 121.881 121.223 -0.045 0.000 2.017 70 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 70 L C 2.346 179.182 176.870 -0.056 0.000 1.073 70 L CA 1.315 56.141 54.840 -0.024 0.000 0.745 70 L CB -0.313 41.746 42.059 -0.000 0.000 0.894 70 L HN -0.037 nan 8.230 nan 0.000 0.432 71 A N 0.171 122.945 122.820 -0.077 0.000 1.892 71 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 71 A C 2.225 179.764 177.584 -0.075 0.000 1.188 71 A CA 2.124 54.108 52.037 -0.088 0.000 0.631 71 A CB -0.420 18.527 19.000 -0.088 0.000 0.822 71 A HN 0.440 nan 8.150 nan 0.000 0.447 72 K N -0.700 119.659 120.400 -0.067 0.000 2.026 72 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 72 K C 2.462 179.033 176.600 -0.049 0.000 1.048 72 K CA 1.383 57.634 56.287 -0.060 0.000 0.929 72 K CB -0.341 32.123 32.500 -0.058 0.000 0.713 72 K HN 0.412 nan 8.250 nan 0.000 0.439 73 S N 0.671 116.348 115.700 -0.039 0.000 2.383 73 S HA -0.110 4.360 4.470 -0.000 0.000 0.229 73 S C 1.712 176.295 174.600 -0.028 0.000 1.030 73 S CA 1.129 59.315 58.200 -0.025 0.000 1.002 73 S CB -0.019 63.177 63.200 -0.007 0.000 0.829 73 S HN 0.162 nan 8.310 nan 0.000 0.467 74 R N 0.363 120.836 120.500 -0.045 0.000 2.310 74 R HA 0.188 4.528 4.340 -0.000 0.000 0.202 74 R C 1.410 177.679 176.300 -0.053 0.000 0.933 74 R CA 0.621 56.690 56.100 -0.053 0.000 1.054 74 R CB -1.017 29.231 30.300 -0.086 0.000 0.985 74 R HN 0.514 nan 8.270 nan 0.000 0.489 75 G N 1.027 109.797 108.800 -0.050 0.000 2.272 75 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.280 75 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.280 75 G C 0.889 175.758 174.900 -0.052 0.000 1.067 75 G CA 0.360 45.434 45.100 -0.044 0.000 0.902 75 G HN 0.193 nan 8.290 nan 0.000 0.500 76 V N -0.280 119.591 119.914 -0.072 0.000 2.287 76 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 76 V C 2.649 178.716 176.094 -0.046 0.000 1.053 76 V CA 2.898 65.151 62.300 -0.079 0.000 1.027 76 V CB -0.423 31.355 31.823 -0.075 0.000 0.646 76 V HN 0.694 nan 8.190 nan 0.000 0.447 77 E N 0.156 120.311 120.200 -0.075 0.000 2.051 77 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 77 E C 2.342 178.894 176.600 -0.080 0.000 0.991 77 E CA 1.307 57.638 56.400 -0.115 0.000 0.799 77 E CB -0.373 29.245 29.700 -0.137 0.000 0.748 77 E HN 0.596 nan 8.360 nan 0.000 0.449 78 A N 1.554 124.345 122.820 -0.048 0.000 1.908 78 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 78 A C 2.402 180.005 177.584 0.031 0.000 1.181 78 A CA 1.791 53.814 52.037 -0.024 0.000 0.627 78 A CB -0.685 18.304 19.000 -0.019 0.000 0.818 78 A HN 0.299 nan 8.150 nan 0.000 0.445 79 A N -0.358 122.504 122.820 0.070 0.000 1.902 79 A HA -0.172 4.147 4.320 -0.000 0.000 0.217 79 A C 2.257 180.057 177.584 0.360 0.000 1.181 79 A CA 1.741 53.893 52.037 0.192 0.000 0.623 79 A CB -0.526 18.556 19.000 0.138 0.000 0.818 79 A HN 0.573 nan 8.150 nan 0.000 0.443 80 R N -0.425 120.262 120.500 0.312 0.000 2.083 80 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 80 R C 1.860 178.257 176.300 0.161 0.000 1.137 80 R CA 1.765 58.063 56.100 0.331 0.000 0.951 80 R CB -0.247 29.985 30.300 -0.112 0.000 0.851 80 R HN 0.435 nan 8.270 nan 0.000 0.434 81 E N 0.593 120.794 120.200 0.003 0.000 2.077 81 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 81 E C 2.098 178.721 176.600 0.040 0.000 0.989 81 E CA 1.146 57.527 56.400 -0.032 0.000 0.800 81 E CB -0.266 29.384 29.700 -0.084 0.000 0.746 81 E HN 0.395 nan 8.360 nan 0.000 0.452 82 R N 0.134 120.670 120.500 0.060 0.000 2.091 82 R HA -0.086 4.254 4.340 -0.000 0.000 0.238 82 R C 2.486 178.790 176.300 0.007 0.000 1.136 82 R CA 1.625 57.751 56.100 0.044 0.000 0.959 82 R CB -0.362 29.986 30.300 0.081 0.000 0.856 82 R HN 0.220 nan 8.270 nan 0.000 0.437 83 M N -0.010 119.602 119.600 0.021 0.000 2.065 83 M HA -0.204 4.276 4.480 -0.000 0.000 0.259 83 M C 1.572 177.723 176.300 -0.249 0.000 1.071 83 M CA 1.923 57.108 55.300 -0.191 0.000 1.109 83 M CB -0.203 32.166 32.600 -0.386 0.000 1.313 83 M HN 0.025 nan 8.290 nan 0.000 0.408 84 F N 1.073 120.873 119.950 -0.250 0.000 2.250 84 F HA -0.172 4.355 4.527 -0.000 0.000 0.301 84 F C 1.883 177.554 175.800 -0.215 0.000 1.077 84 F CA 1.155 59.011 58.000 -0.240 0.000 1.348 84 F CB -0.699 38.169 39.000 -0.221 0.000 1.040 84 F HN 0.348 nan 8.300 nan 0.000 0.509 85 N N -0.175 118.515 118.700 -0.017 0.000 2.383 85 N HA 0.085 4.825 4.740 -0.000 0.000 0.192 85 N C 1.627 177.059 175.510 -0.130 0.000 1.141 85 N CA 0.964 53.973 53.050 -0.068 0.000 0.851 85 N CB 0.146 38.606 38.487 -0.046 0.000 0.976 85 N HN 0.308 nan 8.380 nan 0.000 0.465 86 G N 1.032 109.715 108.800 -0.195 0.000 2.143 86 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.248 86 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.248 86 G C -0.134 174.671 174.900 -0.159 0.000 0.991 86 G CA -0.011 44.942 45.100 -0.246 0.000 0.689 86 G HN 0.413 nan 8.290 nan 0.000 0.522 87 E N -0.171 119.968 120.200 -0.101 0.000 2.373 87 E HA 0.392 4.742 4.350 -0.000 0.000 0.263 87 E C 0.214 176.802 176.600 -0.021 0.000 1.073 87 E CA -0.479 55.896 56.400 -0.041 0.000 0.894 87 E CB 0.408 30.104 29.700 -0.007 0.000 1.008 87 E HN 0.062 nan 8.360 nan 0.000 0.420 88 K N 2.335 122.751 120.400 0.026 0.000 2.408 88 K HA 0.027 4.347 4.320 -0.000 0.000 0.231 88 K C 0.803 177.476 176.600 0.121 0.000 1.261 88 K CA 0.143 56.471 56.287 0.068 0.000 1.193 88 K CB -0.854 31.703 32.500 0.094 0.000 1.431 88 K HN 0.447 nan 8.250 nan 0.000 0.243 89 I N -2.638 117.991 120.570 0.099 0.000 3.291 89 I HA -0.073 4.097 4.170 -0.000 0.000 0.279 89 I C 0.425 176.696 176.117 0.257 0.000 1.294 89 I CA 0.461 61.888 61.300 0.210 0.000 1.428 89 I CB -0.084 38.035 38.000 0.198 0.000 1.070 89 I HN 0.278 nan 8.210 nan 0.000 0.478 90 N N 1.232 120.020 118.700 0.146 0.000 3.034 90 N HA 0.061 4.801 4.740 -0.000 0.000 0.265 90 N C 1.086 176.659 175.510 0.106 0.000 1.166 90 N CA -0.472 52.642 53.050 0.107 0.000 1.081 90 N CB 0.214 38.779 38.487 0.129 0.000 1.378 90 N HN 0.458 nan 8.380 nan 0.000 0.520 91 Y N 0.740 121.165 120.300 0.208 0.000 2.181 91 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 91 Y C 2.554 178.568 175.900 0.189 0.000 1.146 91 Y CA 1.336 59.539 58.100 0.172 0.000 1.164 91 Y CB -1.137 37.410 38.460 0.145 0.000 0.982 91 Y HN 0.315 nan 8.280 nan 0.000 0.515 92 T N -1.631 113.047 114.554 0.206 0.000 2.788 92 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 92 T C 1.312 176.225 174.700 0.354 0.000 1.044 92 T CA 1.682 63.979 62.100 0.328 0.000 1.139 92 T CB -0.416 68.712 68.868 0.433 0.000 0.867 92 T HN 0.637 nan 8.240 nan 0.000 0.454 93 E N 0.793 121.176 120.200 0.305 0.000 2.452 93 E HA 0.333 4.682 4.350 -0.000 0.000 0.197 93 E C 1.157 177.881 176.600 0.207 0.000 1.022 93 E CA 0.017 56.589 56.400 0.286 0.000 0.890 93 E CB 0.113 29.935 29.700 0.203 0.000 0.918 93 E HN 0.648 nan 8.360 nan 0.000 0.496 94 G N 2.538 111.455 108.800 0.195 0.000 2.333 94 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.296 94 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.296 94 G C -0.259 174.729 174.900 0.146 0.000 1.059 94 G CA 0.397 45.597 45.100 0.167 0.000 1.050 94 G HN 0.094 nan 8.290 nan 0.000 0.508 95 R N -0.764 119.823 120.500 0.144 0.000 2.808 95 R HA 0.781 5.121 4.340 -0.000 0.000 0.272 95 R C 0.370 176.739 176.300 0.115 0.000 0.995 95 R CA -0.441 55.746 56.100 0.145 0.000 0.917 95 R CB 1.498 31.896 30.300 0.163 0.000 1.217 95 R HN 0.648 nan 8.270 nan 0.000 0.471 96 A N 0.953 123.846 122.820 0.122 0.000 2.296 96 A HA 0.480 4.800 4.320 -0.000 0.000 0.264 96 A C -0.308 177.282 177.584 0.009 0.000 1.097 96 A CA -0.304 51.740 52.037 0.013 0.000 0.811 96 A CB 0.639 19.585 19.000 -0.090 0.000 1.072 96 A HN 0.334 nan 8.150 nan 0.000 0.495 97 V N 1.323 121.119 119.914 -0.197 0.000 2.380 97 V HA 0.283 4.403 4.120 -0.000 0.000 0.272 97 V C -0.503 175.318 176.094 -0.456 0.000 1.011 97 V CA 0.168 62.250 62.300 -0.364 0.000 0.826 97 V CB 0.420 31.708 31.823 -0.891 0.000 1.040 97 V HN 0.665 nan 8.190 nan 0.000 0.441 98 L N 4.556 125.667 121.223 -0.186 0.000 2.960 98 L HA 0.337 4.677 4.340 -0.000 0.000 0.274 98 L C 1.395 178.224 176.870 -0.068 0.000 1.327 98 L CA -0.279 54.358 54.840 -0.339 0.000 0.860 98 L CB 0.119 41.783 42.059 -0.657 0.000 1.239 98 L HN 0.846 nan 8.230 nan 0.000 0.551 99 H N -2.002 117.056 119.070 -0.020 0.000 2.495 99 H HA -0.083 4.473 4.556 -0.000 0.000 0.287 99 H C 1.913 177.174 175.328 -0.112 0.000 1.033 99 H CA 1.096 57.194 56.048 0.083 0.000 1.307 99 H CB -0.336 29.508 29.762 0.136 0.000 1.401 99 H HN 0.324 nan 8.280 nan 0.000 0.555 100 V N -1.144 118.505 119.914 -0.441 0.000 2.515 100 V HA -0.056 4.064 4.120 -0.000 0.000 0.250 100 V C 2.548 178.504 176.094 -0.230 0.000 1.058 100 V CA 1.230 63.302 62.300 -0.380 0.000 1.064 100 V CB -1.081 30.334 31.823 -0.681 0.000 0.675 100 V HN 0.561 nan 8.190 nan 0.000 0.461 101 A N 0.815 123.491 122.820 -0.241 0.000 1.969 101 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 101 A C 2.211 179.788 177.584 -0.011 0.000 1.169 101 A CA 1.905 53.832 52.037 -0.183 0.000 0.635 101 A CB -0.661 18.110 19.000 -0.383 0.000 0.810 101 A HN 0.588 nan 8.150 nan 0.000 0.445 102 L N -0.276 121.028 121.223 0.135 0.000 2.079 102 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 102 L C 2.418 179.362 176.870 0.124 0.000 1.081 102 L CA 1.665 56.658 54.840 0.255 0.000 0.752 102 L CB -0.379 41.919 42.059 0.398 0.000 0.896 102 L HN 0.555 nan 8.230 nan 0.000 0.433 103 R N -0.514 119.975 120.500 -0.017 0.000 2.507 103 R HA 0.074 4.414 4.340 -0.000 0.000 0.298 103 R C 0.274 176.451 176.300 -0.205 0.000 0.999 103 R CA -0.173 55.867 56.100 -0.099 0.000 1.082 103 R CB -0.771 29.408 30.300 -0.203 0.000 1.246 103 R HN 0.063 nan 8.270 nan 0.000 0.553 104 N N 2.436 121.021 118.700 -0.192 0.000 2.744 104 N HA -0.021 4.719 4.740 -0.000 0.000 0.290 104 N C 0.616 175.837 175.510 -0.482 0.000 1.206 104 N CA -0.134 52.713 53.050 -0.339 0.000 1.119 104 N CB 0.413 38.827 38.487 -0.121 0.000 1.449 104 N HN 0.075 nan 8.380 nan 0.000 0.514 105 R N 0.589 120.578 120.500 -0.851 0.000 2.159 105 R HA -0.049 4.291 4.340 -0.000 0.000 0.237 105 R C 1.225 177.392 176.300 -0.221 0.000 1.131 105 R CA 0.717 56.571 56.100 -0.410 0.000 0.982 105 R CB -0.790 29.349 30.300 -0.268 0.000 0.868 105 R HN 0.389 nan 8.270 nan 0.000 0.453 106 S N 1.137 116.705 115.700 -0.220 0.000 2.481 106 S HA -0.032 4.438 4.470 -0.000 0.000 0.231 106 S C 0.447 175.045 174.600 -0.005 0.000 0.996 106 S CA 0.251 58.466 58.200 0.024 0.000 0.942 106 S CB -0.125 63.182 63.200 0.179 0.000 0.768 106 S HN 0.325 nan 8.310 nan 0.000 0.520 107 N N 0.742 119.412 118.700 -0.049 0.000 2.753 107 N HA -0.127 4.613 4.740 -0.000 0.000 0.251 107 N C -0.619 174.878 175.510 -0.022 0.000 1.097 107 N CA 0.990 54.021 53.050 -0.033 0.000 0.786 107 N CB -2.043 36.437 38.487 -0.012 0.000 1.137 107 N HN 0.343 nan 8.380 nan 0.000 0.566 108 T N 2.843 117.392 114.554 -0.009 0.000 2.908 108 T HA 0.128 4.478 4.350 -0.000 0.000 0.301 108 T C -1.946 172.731 174.700 -0.038 0.000 1.019 108 T CA -0.411 61.681 62.100 -0.012 0.000 1.152 108 T CB 0.909 69.780 68.868 0.005 0.000 0.966 108 T HN 0.111 nan 8.240 nan 0.000 0.540 109 P HA 0.171 nan 4.420 nan 0.000 0.265 109 P C -0.712 176.530 177.300 -0.095 0.000 1.193 109 P CA 0.115 63.173 63.100 -0.071 0.000 0.765 109 P CB 0.447 32.111 31.700 -0.060 0.000 0.823 110 I N 3.958 124.442 120.570 -0.143 0.000 2.448 110 I HA 0.259 4.429 4.170 -0.000 0.000 0.281 110 I C 0.293 176.271 176.117 -0.231 0.000 1.027 110 I CA -0.812 60.372 61.300 -0.193 0.000 1.111 110 I CB 1.231 39.075 38.000 -0.262 0.000 1.236 110 I HN 0.095 nan 8.210 nan 0.000 0.452 111 L N 6.726 127.839 121.223 -0.184 0.000 2.326 111 L HA 0.525 4.864 4.340 -0.000 0.000 0.278 111 L C -0.401 176.352 176.870 -0.195 0.000 1.092 111 L CA -0.774 53.965 54.840 -0.168 0.000 0.810 111 L CB 1.414 43.407 42.059 -0.110 0.000 1.153 111 L HN 0.260 nan 8.230 nan 0.000 0.439 112 V N 2.202 122.003 119.914 -0.187 0.000 2.409 112 V HA 0.229 4.349 4.120 -0.000 0.000 0.290 112 V C -0.555 175.494 176.094 -0.076 0.000 1.017 112 V CA -0.492 61.710 62.300 -0.163 0.000 0.841 112 V CB 1.325 33.013 31.823 -0.224 0.000 1.003 112 V HN 0.826 nan 8.190 nan 0.000 0.426 113 D N 4.276 124.647 120.400 -0.048 0.000 2.723 113 D HA -0.174 4.466 4.640 -0.000 0.000 0.236 113 D C 1.348 177.633 176.300 -0.026 0.000 1.138 113 D CA 1.754 55.742 54.000 -0.019 0.000 0.676 113 D CB -1.104 39.700 40.800 0.006 0.000 1.069 113 D HN 1.414 nan 8.370 nan 0.000 0.430 114 G N -0.099 108.676 108.800 -0.042 0.000 2.166 114 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.260 114 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.260 114 G C 0.303 175.177 174.900 -0.043 0.000 0.986 114 G CA 0.909 45.985 45.100 -0.040 0.000 0.683 114 G HN 0.647 nan 8.290 nan 0.000 0.527 115 K N 0.579 120.946 120.400 -0.055 0.000 2.450 115 K HA 0.416 4.736 4.320 -0.000 0.000 0.257 115 K C -0.671 175.874 176.600 -0.091 0.000 0.953 115 K CA -0.876 55.379 56.287 -0.055 0.000 0.844 115 K CB 0.888 33.370 32.500 -0.031 0.000 1.103 115 K HN 0.025 nan 8.250 nan 0.000 0.429 116 D N 3.283 123.631 120.400 -0.087 0.000 2.531 116 D HA -0.062 4.578 4.640 -0.000 0.000 0.239 116 D C 0.699 176.916 176.300 -0.139 0.000 1.144 116 D CA 0.195 54.126 54.000 -0.114 0.000 0.869 116 D CB 1.276 42.027 40.800 -0.082 0.000 1.160 116 D HN 0.268 nan 8.370 nan 0.000 0.484 117 V N 4.625 124.409 119.914 -0.216 0.000 2.878 117 V HA -0.151 3.969 4.120 -0.000 0.000 0.250 117 V C 2.105 178.071 176.094 -0.213 0.000 1.075 117 V CA 0.684 62.820 62.300 -0.274 0.000 1.096 117 V CB -0.278 31.224 31.823 -0.534 0.000 0.724 117 V HN 0.634 nan 8.190 nan 0.000 0.467 118 M N -0.154 119.352 119.600 -0.157 0.000 2.106 118 M HA -0.126 4.354 4.480 -0.000 0.000 0.259 118 M C 0.016 176.297 176.300 -0.032 0.000 1.068 118 M CA 2.022 57.271 55.300 -0.086 0.000 1.100 118 M CB -2.676 29.884 32.600 -0.067 0.000 1.351 118 M HN 0.241 nan 8.290 nan 0.000 0.404 119 P HA -0.163 nan 4.420 nan 0.000 0.215 119 P C 1.531 178.861 177.300 0.049 0.000 1.157 119 P CA 1.274 64.382 63.100 0.014 0.000 0.874 119 P CB -0.093 31.610 31.700 0.006 0.000 0.790 120 E N -0.606 119.606 120.200 0.022 0.000 2.051 120 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 120 E C 2.185 178.916 176.600 0.219 0.000 0.991 120 E CA 0.886 57.357 56.400 0.118 0.000 0.799 120 E CB -1.264 28.454 29.700 0.029 0.000 0.748 120 E HN 0.048 nan 8.360 nan 0.000 0.449 121 V N 2.753 122.697 119.914 0.050 0.000 2.252 121 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 121 V C 1.962 178.237 176.094 0.302 0.000 1.056 121 V CA 2.000 64.445 62.300 0.242 0.000 1.022 121 V CB -0.550 31.357 31.823 0.140 0.000 0.641 121 V HN 0.245 nan 8.190 nan 0.000 0.445 122 N N -0.261 118.555 118.700 0.193 0.000 2.331 122 N HA -0.144 4.596 4.740 -0.000 0.000 0.180 122 N C 1.835 177.460 175.510 0.192 0.000 1.019 122 N CA 1.128 54.291 53.050 0.188 0.000 0.881 122 N CB -0.245 38.316 38.487 0.124 0.000 0.972 122 N HN 0.548 nan 8.380 nan 0.000 0.435 123 K N 1.086 121.599 120.400 0.188 0.000 2.057 123 K HA -0.032 4.287 4.320 -0.000 0.000 0.206 123 K C 1.765 178.480 176.600 0.191 0.000 1.050 123 K CA 0.821 57.206 56.287 0.164 0.000 0.935 123 K CB 0.118 32.712 32.500 0.156 0.000 0.715 123 K HN -0.133 nan 8.250 nan 0.000 0.439 124 V N 1.699 121.782 119.914 0.282 0.000 2.427 124 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 124 V C 2.260 178.536 176.094 0.302 0.000 1.051 124 V CA 1.436 63.910 62.300 0.290 0.000 1.048 124 V CB -0.327 31.723 31.823 0.378 0.000 0.666 124 V HN 0.319 nan 8.190 nan 0.000 0.456 125 L N -0.323 121.102 121.223 0.336 0.000 2.083 125 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 125 L C 2.357 179.335 176.870 0.179 0.000 1.083 125 L CA 1.440 56.516 54.840 0.392 0.000 0.752 125 L CB -0.652 41.692 42.059 0.475 0.000 0.899 125 L HN 0.357 nan 8.230 nan 0.000 0.433 126 D N 0.034 120.510 120.400 0.127 0.000 2.117 126 D HA -0.201 4.439 4.640 -0.000 0.000 0.198 126 D C 2.105 178.406 176.300 0.002 0.000 0.982 126 D CA 1.132 55.144 54.000 0.019 0.000 0.828 126 D CB 0.047 40.881 40.800 0.056 0.000 0.967 126 D HN 0.255 nan 8.370 nan 0.000 0.464 127 K N 0.275 120.726 120.400 0.085 0.000 2.097 127 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 127 K C 2.198 178.959 176.600 0.268 0.000 1.050 127 K CA 0.773 57.133 56.287 0.121 0.000 0.938 127 K CB 0.027 32.553 32.500 0.043 0.000 0.718 127 K HN 0.040 nan 8.250 nan 0.000 0.442 128 M N 0.577 120.327 119.600 0.250 0.000 2.132 128 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 128 M C 2.340 178.582 176.300 -0.097 0.000 1.065 128 M CA 1.593 56.995 55.300 0.170 0.000 1.122 128 M CB -0.200 32.498 32.600 0.163 0.000 1.365 128 M HN 0.079 nan 8.290 nan 0.000 0.411 129 K N -0.123 119.930 120.400 -0.578 0.000 2.032 129 K HA -0.184 4.136 4.320 -0.000 0.000 0.209 129 K C 2.226 178.647 176.600 -0.298 0.000 1.048 129 K CA 1.860 57.563 56.287 -0.973 0.000 0.927 129 K CB -0.185 31.547 32.500 -1.280 0.000 0.712 129 K HN 0.163 nan 8.250 nan 0.000 0.441 130 S N -0.203 115.423 115.700 -0.123 0.000 2.356 130 S HA -0.179 4.291 4.470 -0.000 0.000 0.223 130 S C 1.777 176.432 174.600 0.092 0.000 1.032 130 S CA 1.239 59.444 58.200 0.010 0.000 1.005 130 S CB -0.494 62.743 63.200 0.061 0.000 0.867 130 S HN 0.453 nan 8.310 nan 0.000 0.449 131 F N 1.798 121.763 119.950 0.025 0.000 2.102 131 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 131 F C 2.547 178.313 175.800 -0.056 0.000 1.105 131 F CA 1.425 59.445 58.000 0.034 0.000 1.239 131 F CB -0.982 38.099 39.000 0.136 0.000 0.991 131 F HN 0.319 nan 8.300 nan 0.000 0.474 132 C N 0.487 119.746 119.300 -0.068 0.000 2.413 132 C HA -0.236 4.224 4.460 -0.000 0.000 0.276 132 C C 2.809 177.711 174.990 -0.145 0.000 1.236 132 C CA 1.460 60.391 59.018 -0.144 0.000 1.735 132 C CB -1.388 26.355 27.740 0.006 0.000 2.031 132 C HN 0.634 nan 8.230 nan 0.000 0.474 133 Q N 0.845 120.598 119.800 -0.078 0.000 2.014 133 Q HA -0.268 4.072 4.340 -0.000 0.000 0.207 133 Q C 2.424 178.387 176.000 -0.061 0.000 0.993 133 Q CA 1.899 57.676 55.803 -0.043 0.000 0.850 133 Q CB -0.273 28.454 28.738 -0.018 0.000 0.916 133 Q HN 0.626 nan 8.270 nan 0.000 0.417 134 R N -0.463 119.995 120.500 -0.071 0.000 2.083 134 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 134 R C 2.424 178.686 176.300 -0.064 0.000 1.137 134 R CA 1.719 57.804 56.100 -0.025 0.000 0.951 134 R CB -0.372 29.968 30.300 0.067 0.000 0.851 134 R HN 0.201 nan 8.270 nan 0.000 0.434 135 V N 1.257 121.002 119.914 -0.282 0.000 2.307 135 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 135 V C 2.326 178.334 176.094 -0.143 0.000 1.045 135 V CA 1.715 63.834 62.300 -0.302 0.000 1.024 135 V CB -0.492 30.936 31.823 -0.659 0.000 0.651 135 V HN 0.330 nan 8.190 nan 0.000 0.449 136 R N 1.131 121.553 120.500 -0.129 0.000 2.092 136 R HA -0.097 4.243 4.340 -0.000 0.000 0.231 136 R C 2.404 178.687 176.300 -0.028 0.000 1.119 136 R CA 1.664 57.727 56.100 -0.063 0.000 0.970 136 R CB -0.798 29.475 30.300 -0.045 0.000 0.864 136 R HN 0.675 nan 8.270 nan 0.000 0.440 137 S N -0.375 115.313 115.700 -0.022 0.000 2.561 137 S HA 0.076 4.546 4.470 -0.000 0.000 0.225 137 S C 1.473 176.079 174.600 0.009 0.000 0.977 137 S CA 0.567 58.766 58.200 -0.001 0.000 0.926 137 S CB 0.286 63.488 63.200 0.003 0.000 0.769 137 S HN 0.551 nan 8.310 nan 0.000 0.533 138 G N 1.087 109.897 108.800 0.016 0.000 2.159 138 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.256 138 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.256 138 G C 0.365 175.291 174.900 0.043 0.000 0.977 138 G CA 0.379 45.499 45.100 0.034 0.000 0.652 138 G HN 0.516 nan 8.290 nan 0.000 0.531 139 D N -0.958 119.470 120.400 0.047 0.000 2.117 139 D HA -0.013 4.626 4.640 -0.000 0.000 0.198 139 D C 1.281 177.619 176.300 0.064 0.000 0.982 139 D CA 0.632 54.658 54.000 0.044 0.000 0.828 139 D CB -0.081 40.748 40.800 0.047 0.000 0.967 139 D HN 0.528 nan 8.370 nan 0.000 0.464 140 W N 2.572 123.821 121.300 -0.085 0.000 2.303 140 W HA 0.209 4.869 4.660 -0.000 0.000 0.318 140 W C -0.270 176.208 176.519 -0.068 0.000 1.362 140 W CA 0.137 57.430 57.345 -0.086 0.000 1.234 140 W CB 0.254 29.612 29.460 -0.170 0.000 1.248 140 W HN -0.213 nan 8.180 nan 0.000 0.546 141 K N 3.826 124.066 120.400 -0.267 0.000 2.435 141 K HA 0.495 4.815 4.320 -0.000 0.000 0.251 141 K C 0.428 176.941 176.600 -0.145 0.000 0.954 141 K CA -0.871 55.359 56.287 -0.096 0.000 0.820 141 K CB 1.898 34.353 32.500 -0.075 0.000 1.292 141 K HN 0.568 nan 8.250 nan 0.000 0.436 142 G N 0.438 109.252 108.800 0.023 0.000 2.647 142 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.271 142 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.271 142 G C 0.506 175.571 174.900 0.276 0.000 1.300 142 G CA 0.109 45.290 45.100 0.134 0.000 0.997 142 G HN 0.817 nan 8.290 nan 0.000 0.533 143 Y N -1.924 118.703 120.300 0.545 0.000 2.616 143 Y HA 0.113 4.663 4.550 -0.000 0.000 0.296 143 Y C 1.884 177.883 175.900 0.165 0.000 1.154 143 Y CA 1.065 59.354 58.100 0.315 0.000 1.325 143 Y CB -0.483 38.214 38.460 0.395 0.000 1.007 143 Y HN 0.329 nan 8.280 nan 0.000 0.542 144 T N -4.081 110.244 114.554 -0.382 0.000 3.200 144 T HA 0.533 4.883 4.350 -0.000 0.000 0.284 144 T C 1.377 175.985 174.700 -0.154 0.000 1.009 144 T CA 0.000 61.874 62.100 -0.377 0.000 0.907 144 T CB -0.055 68.482 68.868 -0.552 0.000 1.120 144 T HN 0.753 nan 8.240 nan 0.000 0.534 145 G N 1.768 110.522 108.800 -0.076 0.000 2.176 145 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.253 145 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.253 145 G C 0.090 174.978 174.900 -0.020 0.000 0.979 145 G CA -0.117 44.956 45.100 -0.046 0.000 0.641 145 G HN 0.593 nan 8.290 nan 0.000 0.530 146 K N 1.372 121.773 120.400 0.002 0.000 2.126 146 K HA 0.511 4.831 4.320 -0.000 0.000 0.257 146 K C 0.981 177.622 176.600 0.067 0.000 1.007 146 K CA 0.401 56.709 56.287 0.036 0.000 0.928 146 K CB 0.764 33.297 32.500 0.055 0.000 1.013 146 K HN 0.491 nan 8.250 nan 0.000 0.473 147 T N -1.735 112.859 114.554 0.067 0.000 2.899 147 T HA 0.356 4.706 4.350 -0.000 0.000 0.284 147 T C 0.661 175.422 174.700 0.103 0.000 1.004 147 T CA -0.914 61.234 62.100 0.081 0.000 1.043 147 T CB 0.580 69.481 68.868 0.055 0.000 1.013 147 T HN 0.211 nan 8.240 nan 0.000 0.518 148 I N 3.350 123.984 120.570 0.106 0.000 2.452 148 I HA 0.156 4.326 4.170 -0.000 0.000 0.287 148 I C 1.708 177.859 176.117 0.057 0.000 1.079 148 I CA -0.021 61.331 61.300 0.086 0.000 1.387 148 I CB 0.562 38.582 38.000 0.034 0.000 1.404 148 I HN 1.086 nan 8.210 nan 0.000 0.522 149 T N 0.722 115.320 114.554 0.074 0.000 2.985 149 T HA 0.256 4.606 4.350 -0.000 0.000 0.254 149 T C 0.175 174.934 174.700 0.098 0.000 1.021 149 T CA -0.184 61.963 62.100 0.079 0.000 0.957 149 T CB 0.133 69.057 68.868 0.094 0.000 1.047 149 T HN 0.471 nan 8.240 nan 0.000 0.511 150 D N 0.309 120.752 120.400 0.072 0.000 2.879 150 D HA 0.601 5.241 4.640 -0.000 0.000 0.236 150 D C -1.550 174.719 176.300 -0.051 0.000 1.171 150 D CA -0.492 53.564 54.000 0.094 0.000 0.868 150 D CB 2.712 43.572 40.800 0.101 0.000 1.598 150 D HN 0.008 nan 8.370 nan 0.000 0.497 151 V N 2.690 122.585 119.914 -0.033 0.000 2.417 151 V HA 0.492 4.612 4.120 -0.000 0.000 0.291 151 V C -0.675 175.288 176.094 -0.217 0.000 1.024 151 V CA -0.629 61.564 62.300 -0.178 0.000 0.861 151 V CB 1.269 32.996 31.823 -0.161 0.000 0.985 151 V HN 0.433 nan 8.190 nan 0.000 0.436 152 I N 4.898 125.227 120.570 -0.402 0.000 2.382 152 I HA 0.360 4.530 4.170 -0.000 0.000 0.285 152 I C 0.175 176.125 176.117 -0.278 0.000 1.007 152 I CA -0.079 60.997 61.300 -0.373 0.000 1.142 152 I CB 1.311 38.975 38.000 -0.560 0.000 1.289 152 I HN 0.498 nan 8.210 nan 0.000 0.453 153 N N 7.578 126.066 118.700 -0.353 0.000 2.444 153 N HA 0.431 5.171 4.740 -0.000 0.000 0.271 153 N C -1.087 174.361 175.510 -0.102 0.000 1.069 153 N CA -0.185 52.720 53.050 -0.241 0.000 0.965 153 N CB 1.020 39.303 38.487 -0.339 0.000 1.092 153 N HN 0.494 nan 8.380 nan 0.000 0.476 154 I N 2.500 123.053 120.570 -0.029 0.000 2.389 154 I HA 0.520 4.690 4.170 -0.000 0.000 0.288 154 I C 0.611 176.724 176.117 -0.007 0.000 0.999 154 I CA -0.605 60.689 61.300 -0.010 0.000 1.129 154 I CB 1.757 39.763 38.000 0.010 0.000 1.288 154 I HN 0.559 nan 8.210 nan 0.000 0.444 155 G N 6.315 115.117 108.800 0.003 0.000 2.451 155 G HA2 0.605 4.565 3.960 -0.000 0.000 0.292 155 G HA3 0.605 4.565 3.960 -0.000 0.000 0.292 155 G C -1.552 173.353 174.900 0.007 0.000 1.427 155 G CA -0.676 44.423 45.100 -0.001 0.000 0.792 155 G HN 0.663 nan 8.290 nan 0.000 0.498 156 I N -2.145 118.422 120.570 -0.005 0.000 3.002 156 I HA 0.879 5.049 4.170 -0.000 0.000 0.310 156 I C 1.098 177.198 176.117 -0.030 0.000 1.087 156 I CA -0.245 61.050 61.300 -0.008 0.000 1.017 156 I CB 1.807 39.802 38.000 -0.009 0.000 1.226 156 I HN 1.894 nan 8.210 nan 0.000 0.443 157 G N 2.660 111.434 108.800 -0.043 0.000 2.660 157 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.321 157 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.321 157 G C 0.913 175.753 174.900 -0.100 0.000 1.246 157 G CA 0.870 45.923 45.100 -0.079 0.000 1.000 157 G HN 1.503 nan 8.290 nan 0.000 0.550 158 G N -0.708 108.025 108.800 -0.112 0.000 2.470 158 G HA2 0.125 4.085 3.960 -0.000 0.000 0.220 158 G HA3 0.125 4.085 3.960 -0.000 0.000 0.220 158 G C 1.767 176.602 174.900 -0.108 0.000 1.121 158 G CA 1.803 46.828 45.100 -0.126 0.000 0.766 158 G HN 1.104 nan 8.290 nan 0.000 0.553 159 S N -0.486 115.165 115.700 -0.083 0.000 2.631 159 S HA 0.148 4.618 4.470 -0.000 0.000 0.217 159 S C 1.143 175.719 174.600 -0.040 0.000 0.958 159 S CA 0.808 58.961 58.200 -0.079 0.000 0.920 159 S CB 0.204 63.376 63.200 -0.047 0.000 0.776 159 S HN 0.648 nan 8.310 nan 0.000 0.517 160 D N -0.120 120.251 120.400 -0.049 0.000 2.954 160 D HA 0.152 4.792 4.640 -0.000 0.000 0.266 160 D C 1.683 177.898 176.300 -0.142 0.000 1.277 160 D CA -0.252 53.730 54.000 -0.030 0.000 1.130 160 D CB -0.442 40.364 40.800 0.010 0.000 1.440 160 D HN -0.004 nan 8.370 nan 0.000 0.427 161 L N 1.282 122.437 121.223 -0.114 0.000 1.990 161 L HA -0.035 4.305 4.340 -0.000 0.000 0.213 161 L C 2.377 179.184 176.870 -0.104 0.000 1.072 161 L CA 2.485 57.264 54.840 -0.101 0.000 0.755 161 L CB -1.529 40.489 42.059 -0.069 0.000 0.889 161 L HN 0.382 nan 8.230 nan 0.000 0.432 162 G N -0.015 108.757 108.800 -0.047 0.000 2.511 162 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 162 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 162 G C -0.640 174.011 174.900 -0.416 0.000 1.218 162 G CA 0.740 45.659 45.100 -0.301 0.000 0.788 162 G HN 0.317 nan 8.290 nan 0.000 0.560 163 P HA -0.088 nan 4.420 nan 0.000 0.216 163 P C 2.101 179.073 177.300 -0.546 0.000 1.153 163 P CA 0.690 63.620 63.100 -0.284 0.000 0.858 163 P CB -0.118 31.545 31.700 -0.061 0.000 0.789 164 L N -1.588 119.073 121.223 -0.937 0.000 1.994 164 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 164 L C 2.292 178.837 176.870 -0.542 0.000 1.071 164 L CA 1.774 55.902 54.840 -1.188 0.000 0.745 164 L CB -0.650 40.817 42.059 -0.988 0.000 0.892 164 L HN -0.052 nan 8.230 nan 0.000 0.431 165 M N -0.579 118.768 119.600 -0.422 0.000 2.117 165 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 165 M C 2.130 178.281 176.300 -0.249 0.000 1.065 165 M CA 1.997 57.110 55.300 -0.312 0.000 1.114 165 M CB -0.585 31.800 32.600 -0.358 0.000 1.361 165 M HN 0.238 nan 8.290 nan 0.000 0.408 166 V N 0.780 120.509 119.914 -0.308 0.000 2.307 166 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 166 V C 2.597 178.630 176.094 -0.102 0.000 1.045 166 V CA 2.274 64.444 62.300 -0.216 0.000 1.024 166 V CB -1.515 30.152 31.823 -0.261 0.000 0.651 166 V HN 0.679 nan 8.190 nan 0.000 0.449 167 T N -2.377 112.124 114.554 -0.088 0.000 2.915 167 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 167 T C 1.699 176.435 174.700 0.061 0.000 1.071 167 T CA 1.224 63.351 62.100 0.044 0.000 1.132 167 T CB -0.247 68.642 68.868 0.035 0.000 0.878 167 T HN 0.394 nan 8.240 nan 0.000 0.479 168 E N 1.726 121.932 120.200 0.011 0.000 2.072 168 E HA 0.091 4.441 4.350 -0.000 0.000 0.190 168 E C 2.611 179.306 176.600 0.158 0.000 0.982 168 E CA 1.284 57.763 56.400 0.132 0.000 0.803 168 E CB -0.670 29.119 29.700 0.149 0.000 0.755 168 E HN 0.682 nan 8.360 nan 0.000 0.453 169 A N 0.684 123.552 122.820 0.080 0.000 2.015 169 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 169 A C 1.888 179.431 177.584 -0.068 0.000 1.163 169 A CA 0.766 52.847 52.037 0.073 0.000 0.646 169 A CB -0.222 18.804 19.000 0.043 0.000 0.806 169 A HN 0.171 nan 8.150 nan 0.000 0.448 170 L N -1.042 120.149 121.223 -0.054 0.000 3.017 170 L HA 0.191 4.530 4.340 -0.000 0.000 0.255 170 L C 1.533 178.404 176.870 0.001 0.000 1.247 170 L CA -0.244 54.604 54.840 0.014 0.000 1.038 170 L CB 0.187 42.248 42.059 0.004 0.000 1.380 170 L HN 0.135 nan 8.230 nan 0.000 0.548 171 K N 2.068 122.353 120.400 -0.191 0.000 2.113 171 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 171 K C -0.755 175.741 176.600 -0.173 0.000 1.047 171 K CA 1.809 58.031 56.287 -0.109 0.000 0.928 171 K CB -0.864 31.611 32.500 -0.041 0.000 0.716 171 K HN 0.144 nan 8.250 nan 0.000 0.446 172 P HA -0.092 nan 4.420 nan 0.000 0.225 172 P C -0.026 177.005 177.300 -0.449 0.000 1.148 172 P CA 1.034 63.914 63.100 -0.367 0.000 0.779 172 P CB 0.027 31.407 31.700 -0.534 0.000 0.780 173 Y N -1.196 119.000 120.300 -0.173 0.000 2.532 173 Y HA 0.123 4.673 4.550 -0.000 0.000 0.283 173 Y C 1.711 177.502 175.900 -0.182 0.000 1.181 173 Y CA 0.077 58.092 58.100 -0.141 0.000 1.256 173 Y CB -0.642 37.752 38.460 -0.110 0.000 1.112 173 Y HN 0.019 nan 8.280 nan 0.000 0.521 174 S N -2.334 113.261 115.700 -0.176 0.000 2.577 174 S HA 0.073 4.543 4.470 -0.000 0.000 0.219 174 S C 0.755 175.215 174.600 -0.235 0.000 0.962 174 S CA -0.435 57.540 58.200 -0.375 0.000 0.921 174 S CB -0.094 62.575 63.200 -0.885 0.000 0.789 174 S HN 0.174 nan 8.310 nan 0.000 0.497 175 S N 1.368 116.985 115.700 -0.138 0.000 2.544 175 S HA 0.425 4.895 4.470 -0.000 0.000 0.290 175 S C 1.432 175.992 174.600 -0.066 0.000 1.276 175 S CA 0.837 58.983 58.200 -0.089 0.000 1.075 175 S CB -0.382 62.775 63.200 -0.072 0.000 0.849 175 S HN 1.463 nan 8.310 nan 0.000 0.494 176 G N 3.079 111.849 108.800 -0.049 0.000 2.157 176 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.248 176 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.248 176 G C 0.341 175.220 174.900 -0.035 0.000 0.979 176 G CA 0.003 45.084 45.100 -0.031 0.000 0.650 176 G HN 1.228 nan 8.290 nan 0.000 0.529 177 G N -0.045 108.719 108.800 -0.061 0.000 2.454 177 G HA2 0.815 4.775 3.960 -0.000 0.000 0.329 177 G HA3 0.815 4.775 3.960 -0.000 0.000 0.329 177 G C -2.027 172.875 174.900 0.002 0.000 1.177 177 G CA -0.797 44.273 45.100 -0.048 0.000 0.951 177 G HN 0.241 nan 8.290 nan 0.000 0.485 178 P HA 0.257 nan 4.420 nan 0.000 0.274 178 P C -0.292 177.097 177.300 0.148 0.000 1.246 178 P CA -0.490 62.651 63.100 0.069 0.000 0.795 178 P CB 1.361 33.078 31.700 0.028 0.000 1.006 179 R N -0.025 120.543 120.500 0.114 0.000 2.643 179 R HA 0.313 4.653 4.340 -0.000 0.000 0.270 179 R C 0.009 176.267 176.300 -0.070 0.000 1.061 179 R CA -0.416 55.709 56.100 0.041 0.000 1.107 179 R CB 0.291 30.605 30.300 0.024 0.000 0.999 179 R HN 0.365 nan 8.270 nan 0.000 0.460 180 V N -0.464 119.225 119.914 -0.376 0.000 2.555 180 V HA 0.630 4.750 4.120 -0.000 0.000 0.302 180 V C -1.168 174.584 176.094 -0.570 0.000 1.038 180 V CA -1.121 60.913 62.300 -0.444 0.000 0.887 180 V CB 1.298 32.752 31.823 -0.616 0.000 0.991 180 V HN 0.667 nan 8.190 nan 0.000 0.434 181 W N 2.395 123.393 121.300 -0.502 0.000 2.819 181 W HA 0.776 5.436 4.660 -0.000 0.000 0.337 181 W C -1.299 174.834 176.519 -0.643 0.000 1.077 181 W CA -0.727 56.387 57.345 -0.385 0.000 1.226 181 W CB 1.726 31.022 29.460 -0.273 0.000 1.419 181 W HN 0.573 nan 8.180 nan 0.000 0.502 182 Y N 1.570 121.913 120.300 0.072 0.000 2.331 182 Y HA 0.618 5.168 4.550 -0.000 0.000 0.334 182 Y C -0.252 175.568 175.900 -0.133 0.000 0.960 182 Y CA -1.225 56.862 58.100 -0.021 0.000 1.130 182 Y CB 1.600 40.045 38.460 -0.024 0.000 1.164 182 Y HN 0.012 nan 8.280 nan 0.000 0.458 183 V N 3.019 122.850 119.914 -0.137 0.000 2.444 183 V HA 0.365 4.484 4.120 -0.000 0.000 0.294 183 V C 0.043 176.042 176.094 -0.158 0.000 1.022 183 V CA -0.108 61.908 62.300 -0.475 0.000 0.850 183 V CB 1.501 33.120 31.823 -0.340 0.000 0.992 183 V HN 0.961 nan 8.190 nan 0.000 0.426 184 S N 2.579 118.276 115.700 -0.006 0.000 2.918 184 S HA 0.159 4.629 4.470 -0.000 0.000 0.264 184 S C 0.633 175.338 174.600 0.176 0.000 1.078 184 S CA -0.214 58.060 58.200 0.124 0.000 0.918 184 S CB -0.027 63.259 63.200 0.144 0.000 0.882 184 S HN 0.542 nan 8.310 nan 0.000 0.466 185 N N 1.759 120.682 118.700 0.371 0.000 2.492 185 N HA 0.173 4.913 4.740 -0.000 0.000 0.262 185 N C 0.664 176.253 175.510 0.133 0.000 1.202 185 N CA -0.057 53.108 53.050 0.192 0.000 0.926 185 N CB 0.978 39.527 38.487 0.103 0.000 1.078 185 N HN 0.297 nan 8.380 nan 0.000 0.454 186 I N 2.027 122.636 120.570 0.065 0.000 2.676 186 I HA -0.093 4.077 4.170 -0.000 0.000 0.259 186 I C 0.356 176.499 176.117 0.044 0.000 1.194 186 I CA 0.503 61.829 61.300 0.042 0.000 1.473 186 I CB -0.513 37.500 38.000 0.021 0.000 1.096 186 I HN 0.531 nan 8.210 nan 0.000 0.443 187 D N 0.565 120.993 120.400 0.045 0.000 2.502 187 D HA -0.029 4.611 4.640 -0.000 0.000 0.249 187 D C 1.583 177.918 176.300 0.057 0.000 1.188 187 D CA 0.859 54.880 54.000 0.035 0.000 0.890 187 D CB 0.913 41.722 40.800 0.015 0.000 1.140 187 D HN 0.329 nan 8.370 nan 0.000 0.505 188 G N 2.930 111.753 108.800 0.038 0.000 2.479 188 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 188 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 188 G C 1.498 176.425 174.900 0.045 0.000 1.115 188 G CA 1.403 46.525 45.100 0.036 0.000 0.757 188 G HN 0.654 nan 8.290 nan 0.000 0.560 189 T N -2.656 111.927 114.554 0.048 0.000 2.833 189 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 189 T C 1.876 176.638 174.700 0.103 0.000 1.054 189 T CA 1.657 63.786 62.100 0.050 0.000 1.135 189 T CB -0.590 68.295 68.868 0.029 0.000 0.869 189 T HN 0.566 nan 8.240 nan 0.000 0.466 190 H N -0.035 119.036 119.070 0.002 0.000 2.256 190 H HA -0.018 4.538 4.556 -0.000 0.000 0.299 190 H C 2.293 177.613 175.328 -0.014 0.000 1.071 190 H CA 1.368 57.422 56.048 0.010 0.000 1.280 190 H CB -0.135 29.639 29.762 0.020 0.000 1.370 190 H HN 0.311 nan 8.280 nan 0.000 0.490 191 I N 0.971 121.568 120.570 0.045 0.000 2.226 191 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 191 I C 2.441 178.487 176.117 -0.117 0.000 1.100 191 I CA 1.471 62.720 61.300 -0.085 0.000 1.374 191 I CB -0.696 37.258 38.000 -0.076 0.000 1.057 191 I HN 0.360 nan 8.210 nan 0.000 0.413 192 A N 1.485 124.271 122.820 -0.057 0.000 1.851 192 A HA -0.296 4.024 4.320 -0.000 0.000 0.216 192 A C 2.333 179.869 177.584 -0.080 0.000 1.195 192 A CA 2.510 54.505 52.037 -0.071 0.000 0.622 192 A CB -0.937 18.052 19.000 -0.018 0.000 0.831 192 A HN 0.634 nan 8.150 nan 0.000 0.444 193 K N -1.323 119.063 120.400 -0.023 0.000 2.283 193 K HA -0.054 4.266 4.320 -0.000 0.000 0.202 193 K C 1.631 178.194 176.600 -0.062 0.000 1.048 193 K CA 1.689 57.971 56.287 -0.010 0.000 0.948 193 K CB -0.558 31.973 32.500 0.051 0.000 0.742 193 K HN 0.323 nan 8.250 nan 0.000 0.458 194 T N 1.651 116.134 114.554 -0.119 0.000 2.770 194 T HA -0.017 4.333 4.350 -0.000 0.000 0.258 194 T C 1.629 176.033 174.700 -0.494 0.000 1.039 194 T CA 0.674 62.604 62.100 -0.284 0.000 1.143 194 T CB -0.111 68.608 68.868 -0.248 0.000 0.866 194 T HN 0.010 nan 8.240 nan 0.000 0.428 195 L N 1.548 122.476 121.223 -0.493 0.000 2.127 195 L HA 0.062 4.402 4.340 -0.000 0.000 0.211 195 L C 2.671 179.298 176.870 -0.405 0.000 1.089 195 L CA 1.171 55.562 54.840 -0.748 0.000 0.757 195 L CB -1.237 40.189 42.059 -1.056 0.000 0.899 195 L HN 0.254 nan 8.230 nan 0.000 0.434 196 A N -1.485 121.203 122.820 -0.219 0.000 2.178 196 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 196 A C 1.872 179.432 177.584 -0.040 0.000 1.157 196 A CA 1.127 53.132 52.037 -0.053 0.000 0.689 196 A CB -0.371 18.613 19.000 -0.026 0.000 0.787 196 A HN 0.619 nan 8.150 nan 0.000 0.465 197 Q N -0.813 118.891 119.800 -0.159 0.000 2.198 197 Q HA 0.423 4.763 4.340 -0.000 0.000 0.209 197 Q C -0.664 175.238 176.000 -0.162 0.000 0.848 197 Q CA -0.126 55.594 55.803 -0.139 0.000 0.974 197 Q CB 0.448 29.074 28.738 -0.186 0.000 1.115 197 Q HN 0.570 nan 8.270 nan 0.000 0.494 198 L N -0.027 121.139 121.223 -0.095 0.000 2.301 198 L HA 0.537 4.877 4.340 -0.000 0.000 0.264 198 L C -0.326 176.749 176.870 0.342 0.000 1.016 198 L CA -1.160 53.702 54.840 0.038 0.000 0.821 198 L CB 1.528 43.518 42.059 -0.114 0.000 1.346 198 L HN -0.034 nan 8.230 nan 0.000 0.429 199 N N 0.888 119.770 118.700 0.303 0.000 2.407 199 N HA 0.278 5.018 4.740 -0.000 0.000 0.277 199 N C -2.147 173.529 175.510 0.276 0.000 0.995 199 N CA -1.388 51.808 53.050 0.244 0.000 0.903 199 N CB 2.550 41.127 38.487 0.149 0.000 1.218 199 N HN 0.252 nan 8.380 nan 0.000 0.487 200 P HA -0.115 nan 4.420 nan 0.000 0.217 200 P C 0.584 178.047 177.300 0.271 0.000 1.148 200 P CA 1.300 64.419 63.100 0.032 0.000 0.828 200 P CB 0.547 31.953 31.700 -0.490 0.000 0.783 201 E N -0.851 119.505 120.200 0.260 0.000 2.268 201 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 201 E C 1.355 178.216 176.600 0.435 0.000 0.995 201 E CA 1.329 57.931 56.400 0.337 0.000 0.836 201 E CB -0.521 29.239 29.700 0.101 0.000 0.763 201 E HN 0.326 nan 8.360 nan 0.000 0.491 202 S N -1.684 114.221 115.700 0.341 0.000 2.846 202 S HA 0.343 4.813 4.470 -0.000 0.000 0.249 202 S C 0.238 174.981 174.600 0.238 0.000 1.028 202 S CA -0.687 57.679 58.200 0.276 0.000 1.043 202 S CB 0.583 63.884 63.200 0.168 0.000 0.990 202 S HN -0.118 nan 8.310 nan 0.000 0.564 203 S N 1.919 117.811 115.700 0.320 0.000 2.475 203 S HA 0.723 5.193 4.470 -0.000 0.000 0.298 203 S C -1.003 173.640 174.600 0.072 0.000 1.119 203 S CA -0.610 57.646 58.200 0.092 0.000 1.085 203 S CB 1.566 64.797 63.200 0.051 0.000 1.028 203 S HN 0.510 nan 8.310 nan 0.000 0.489 204 L N 3.718 124.801 121.223 -0.232 0.000 2.356 204 L HA 0.685 5.025 4.340 -0.000 0.000 0.277 204 L C -1.794 174.777 176.870 -0.499 0.000 0.996 204 L CA -0.327 54.383 54.840 -0.216 0.000 0.822 204 L CB 0.555 42.520 42.059 -0.156 0.000 1.256 204 L HN 0.509 nan 8.230 nan 0.000 0.413 205 F N 5.470 125.194 119.950 -0.378 0.000 2.421 205 F HA 0.551 5.077 4.527 -0.000 0.000 0.337 205 F C 0.107 175.771 175.800 -0.226 0.000 1.105 205 F CA -0.483 57.280 58.000 -0.395 0.000 1.049 205 F CB 1.397 39.960 39.000 -0.728 0.000 1.139 205 F HN 0.223 nan 8.300 nan 0.000 0.479 206 I N 5.227 125.789 120.570 -0.014 0.000 2.359 206 I HA 0.259 4.429 4.170 -0.000 0.000 0.284 206 I C -0.806 175.328 176.117 0.027 0.000 1.018 206 I CA -0.556 60.727 61.300 -0.028 0.000 1.173 206 I CB 0.843 38.769 38.000 -0.122 0.000 1.326 206 I HN 0.310 nan 8.210 nan 0.000 0.462 207 I N 5.916 126.539 120.570 0.089 0.000 2.281 207 I HA 0.283 4.453 4.170 -0.000 0.000 0.293 207 I C 0.774 176.969 176.117 0.131 0.000 1.085 207 I CA -0.309 61.043 61.300 0.087 0.000 1.257 207 I CB 0.737 38.789 38.000 0.086 0.000 1.430 207 I HN 0.513 nan 8.210 nan 0.000 0.489 208 A N 5.034 127.889 122.820 0.057 0.000 2.366 208 A HA 0.562 4.882 4.320 -0.000 0.000 0.322 208 A C 0.287 177.927 177.584 0.094 0.000 1.397 208 A CA -0.250 51.830 52.037 0.071 0.000 0.984 208 A CB 0.351 19.350 19.000 -0.002 0.000 1.149 208 A HN 0.651 nan 8.150 nan 0.000 0.540 209 S N 2.211 118.035 115.700 0.206 0.000 2.599 209 S HA 0.307 4.777 4.470 -0.000 0.000 0.269 209 S C 0.552 175.307 174.600 0.258 0.000 1.135 209 S CA -0.514 57.797 58.200 0.185 0.000 1.027 209 S CB 0.951 64.174 63.200 0.038 0.000 1.129 209 S HN 0.690 nan 8.310 nan 0.000 0.458 210 K N 2.995 123.540 120.400 0.243 0.000 2.034 210 K HA -0.117 4.203 4.320 -0.000 0.000 0.214 210 K C 1.968 178.538 176.600 -0.051 0.000 1.051 210 K CA 3.085 59.357 56.287 -0.025 0.000 0.931 210 K CB -0.794 31.655 32.500 -0.084 0.000 0.715 210 K HN 0.752 nan 8.250 nan 0.000 0.446 211 T N -3.477 111.093 114.554 0.027 0.000 3.043 211 T HA -0.021 4.329 4.350 -0.000 0.000 0.263 211 T C 0.827 175.618 174.700 0.151 0.000 1.094 211 T CA 0.520 62.643 62.100 0.040 0.000 1.127 211 T CB -0.384 68.500 68.868 0.026 0.000 0.905 211 T HN 0.259 nan 8.240 nan 0.000 0.490 212 F N 2.124 122.045 119.950 -0.049 0.000 3.057 212 F HA -0.265 4.262 4.527 -0.000 0.000 0.287 212 F C 1.019 176.801 175.800 -0.030 0.000 0.834 212 F CA 1.010 58.978 58.000 -0.053 0.000 1.147 212 F CB -1.774 37.185 39.000 -0.068 0.000 1.245 212 F HN 0.544 nan 8.300 nan 0.000 0.509 213 T N -4.813 109.731 114.554 -0.017 0.000 3.087 213 T HA 0.197 4.547 4.350 -0.000 0.000 0.283 213 T C 0.566 175.235 174.700 -0.052 0.000 0.956 213 T CA 0.538 62.620 62.100 -0.031 0.000 0.894 213 T CB -0.026 68.854 68.868 0.019 0.000 1.160 213 T HN 0.147 nan 8.240 nan 0.000 0.532 214 T N 3.356 117.869 114.554 -0.067 0.000 2.738 214 T HA 0.018 4.368 4.350 -0.000 0.000 0.277 214 T C 1.285 175.946 174.700 -0.065 0.000 0.981 214 T CA 0.180 62.248 62.100 -0.053 0.000 1.211 214 T CB 1.017 69.853 68.868 -0.053 0.000 0.932 214 T HN 0.424 nan 8.240 nan 0.000 0.522 215 Q N 2.829 122.608 119.800 -0.036 0.000 1.998 215 Q HA -0.271 4.069 4.340 -0.000 0.000 0.209 215 Q C 1.851 177.831 176.000 -0.033 0.000 1.002 215 Q CA 2.220 58.005 55.803 -0.029 0.000 0.858 215 Q CB -0.003 28.728 28.738 -0.011 0.000 0.932 215 Q HN 0.741 nan 8.270 nan 0.000 0.416 216 E N -0.376 119.809 120.200 -0.025 0.000 2.049 216 E HA -0.185 4.165 4.350 -0.000 0.000 0.198 216 E C 2.066 178.646 176.600 -0.033 0.000 1.007 216 E CA 2.097 58.486 56.400 -0.017 0.000 0.809 216 E CB -0.511 29.186 29.700 -0.006 0.000 0.749 216 E HN 0.368 nan 8.360 nan 0.000 0.450 217 T N 1.000 115.521 114.554 -0.055 0.000 2.652 217 T HA -0.118 4.232 4.350 -0.000 0.000 0.267 217 T C 1.720 176.340 174.700 -0.134 0.000 1.039 217 T CA 1.095 63.143 62.100 -0.087 0.000 1.153 217 T CB -0.168 68.638 68.868 -0.104 0.000 0.863 217 T HN 0.036 nan 8.240 nan 0.000 0.428 218 I N 1.589 122.055 120.570 -0.174 0.000 2.394 218 I HA -0.095 4.075 4.170 -0.000 0.000 0.251 218 I C 2.539 178.621 176.117 -0.058 0.000 1.136 218 I CA 1.318 62.501 61.300 -0.196 0.000 1.425 218 I CB -1.751 36.122 38.000 -0.212 0.000 1.079 218 I HN 0.277 nan 8.210 nan 0.000 0.425 219 T N 1.243 115.775 114.554 -0.038 0.000 2.737 219 T HA -0.108 4.242 4.350 -0.000 0.000 0.265 219 T C 1.776 176.479 174.700 0.005 0.000 1.038 219 T CA 1.204 63.300 62.100 -0.006 0.000 1.144 219 T CB -0.172 68.692 68.868 -0.006 0.000 0.866 219 T HN 0.267 nan 8.240 nan 0.000 0.434 220 N N 1.329 120.024 118.700 -0.008 0.000 2.166 220 N HA 0.000 4.740 4.740 -0.000 0.000 0.186 220 N C 2.110 177.630 175.510 0.017 0.000 1.019 220 N CA 1.239 54.286 53.050 -0.005 0.000 0.856 220 N CB -0.458 38.019 38.487 -0.018 0.000 0.993 220 N HN 0.414 nan 8.380 nan 0.000 0.426 221 A N 1.440 124.276 122.820 0.026 0.000 1.902 221 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 221 A C 2.057 179.807 177.584 0.277 0.000 1.181 221 A CA 1.359 53.470 52.037 0.124 0.000 0.623 221 A CB -0.479 18.483 19.000 -0.064 0.000 0.818 221 A HN 0.347 nan 8.150 nan 0.000 0.443 222 E N -0.944 119.378 120.200 0.204 0.000 2.150 222 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 222 E C 1.960 178.587 176.600 0.045 0.000 0.985 222 E CA 1.430 57.894 56.400 0.106 0.000 0.814 222 E CB -0.284 29.449 29.700 0.055 0.000 0.752 222 E HN 0.572 nan 8.360 nan 0.000 0.466 223 T N 0.747 115.331 114.554 0.049 0.000 2.821 223 T HA -0.092 4.257 4.350 -0.000 0.000 0.267 223 T C 1.983 176.729 174.700 0.077 0.000 1.046 223 T CA 1.087 63.212 62.100 0.043 0.000 1.139 223 T CB -0.119 68.759 68.868 0.016 0.000 0.871 223 T HN 0.239 nan 8.240 nan 0.000 0.454 224 A N 1.482 124.328 122.820 0.043 0.000 1.933 224 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 224 A C 2.186 179.923 177.584 0.255 0.000 1.175 224 A CA 1.824 53.851 52.037 -0.018 0.000 0.628 224 A CB -0.445 18.309 19.000 -0.410 0.000 0.814 224 A HN 0.478 nan 8.150 nan 0.000 0.444 225 K N -0.222 120.291 120.400 0.188 0.000 2.155 225 K HA -0.133 4.187 4.320 -0.000 0.000 0.203 225 K C 2.002 178.652 176.600 0.084 0.000 1.052 225 K CA 1.387 57.693 56.287 0.031 0.000 0.948 225 K CB -0.127 32.091 32.500 -0.470 0.000 0.728 225 K HN 0.613 nan 8.250 nan 0.000 0.448 226 E N -0.309 119.932 120.200 0.067 0.000 2.047 226 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 226 E C 1.739 178.409 176.600 0.116 0.000 0.987 226 E CA 1.306 57.733 56.400 0.046 0.000 0.799 226 E CB -0.262 29.462 29.700 0.040 0.000 0.752 226 E HN 0.504 nan 8.360 nan 0.000 0.449 227 W N 0.610 121.913 121.300 0.004 0.000 2.335 227 W HA -0.259 4.401 4.660 -0.000 0.000 0.311 227 W C 1.909 178.450 176.519 0.037 0.000 1.213 227 W CA 1.932 59.288 57.345 0.019 0.000 1.274 227 W CB -0.673 28.812 29.460 0.041 0.000 1.148 227 W HN 0.184 nan 8.180 nan 0.000 0.498 228 F N 0.829 120.798 119.950 0.032 0.000 2.051 228 F HA -0.194 4.333 4.527 -0.000 0.000 0.296 228 F C 1.984 177.596 175.800 -0.314 0.000 1.122 228 F CA 1.913 59.765 58.000 -0.247 0.000 1.201 228 F CB -1.118 37.974 39.000 0.154 0.000 0.978 228 F HN -0.166 nan 8.300 nan 0.000 0.472 229 L N 0.731 121.781 121.223 -0.288 0.000 2.349 229 L HA -0.212 4.128 4.340 -0.000 0.000 0.220 229 L C 2.461 179.095 176.870 -0.393 0.000 1.130 229 L CA 1.530 56.133 54.840 -0.396 0.000 0.791 229 L CB -1.375 40.589 42.059 -0.159 0.000 0.918 229 L HN 0.401 nan 8.230 nan 0.000 0.444 230 Q N -1.413 118.182 119.800 -0.340 0.000 2.119 230 Q HA -0.174 4.166 4.340 -0.000 0.000 0.201 230 Q C 2.127 177.923 176.000 -0.340 0.000 0.972 230 Q CA 1.656 57.294 55.803 -0.274 0.000 0.847 230 Q CB 0.088 28.697 28.738 -0.215 0.000 0.903 230 Q HN 0.560 nan 8.270 nan 0.000 0.433 231 A N 0.181 122.696 122.820 -0.509 0.000 1.887 231 A HA 0.355 4.675 4.320 -0.000 0.000 0.212 231 A C 1.079 178.382 177.584 -0.469 0.000 1.198 231 A CA 0.622 52.397 52.037 -0.437 0.000 0.628 231 A CB -0.175 18.535 19.000 -0.483 0.000 0.847 231 A HN 0.338 nan 8.150 nan 0.000 0.449 232 A N 0.776 123.043 122.820 -0.923 0.000 2.506 232 A HA 0.479 4.799 4.320 -0.000 0.000 0.320 232 A C 0.642 177.844 177.584 -0.636 0.000 1.424 232 A CA -0.603 50.772 52.037 -1.104 0.000 1.044 232 A CB 0.119 17.773 19.000 -2.244 0.000 1.140 232 A HN 0.255 nan 8.150 nan 0.000 0.538 233 K N 1.259 121.455 120.400 -0.340 0.000 2.442 233 K HA -0.089 4.231 4.320 -0.000 0.000 0.198 233 K C -0.014 176.484 176.600 -0.169 0.000 1.042 233 K CA 0.570 56.727 56.287 -0.216 0.000 0.958 233 K CB -0.158 32.264 32.500 -0.131 0.000 0.766 233 K HN 0.771 nan 8.250 nan 0.000 0.474 234 D N 2.002 122.299 120.400 -0.172 0.000 2.316 234 D HA 0.059 4.698 4.640 -0.000 0.000 0.245 234 D C -1.448 174.819 176.300 -0.055 0.000 1.171 234 D CA -2.264 51.687 54.000 -0.082 0.000 0.856 234 D CB 1.382 42.172 40.800 -0.016 0.000 1.090 234 D HN -0.133 nan 8.370 nan 0.000 0.476 235 P HA -0.137 nan 4.420 nan 0.000 0.223 235 P C 0.885 178.202 177.300 0.028 0.000 1.151 235 P CA 0.639 63.727 63.100 -0.020 0.000 0.787 235 P CB 0.115 31.784 31.700 -0.050 0.000 0.788 236 S N -0.699 115.027 115.700 0.045 0.000 2.561 236 S HA 0.167 4.637 4.470 -0.000 0.000 0.225 236 S C 1.974 176.656 174.600 0.137 0.000 0.977 236 S CA 0.476 58.719 58.200 0.072 0.000 0.926 236 S CB -0.837 62.396 63.200 0.056 0.000 0.769 236 S HN 0.110 nan 8.310 nan 0.000 0.533 237 A N 1.074 124.005 122.820 0.184 0.000 2.169 237 A HA 0.336 4.656 4.320 -0.000 0.000 0.212 237 A C 2.045 179.890 177.584 0.434 0.000 1.153 237 A CA 0.577 52.815 52.037 0.335 0.000 0.756 237 A CB -0.596 18.566 19.000 0.270 0.000 0.813 237 A HN 0.419 nan 8.150 nan 0.000 0.471 238 V N -0.077 120.014 119.914 0.296 0.000 2.407 238 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 238 V C 2.972 179.247 176.094 0.301 0.000 1.055 238 V CA 1.813 64.219 62.300 0.177 0.000 1.049 238 V CB -1.012 30.784 31.823 -0.046 0.000 0.662 238 V HN 0.588 nan 8.190 nan 0.000 0.455 239 A N -0.413 122.562 122.820 0.258 0.000 2.070 239 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 239 A C 2.184 179.996 177.584 0.379 0.000 1.159 239 A CA 1.593 53.800 52.037 0.284 0.000 0.656 239 A CB -0.343 18.770 19.000 0.188 0.000 0.800 239 A HN 0.586 nan 8.150 nan 0.000 0.453 240 K N -1.506 119.103 120.400 0.349 0.000 2.393 240 K HA 0.091 4.411 4.320 -0.000 0.000 0.193 240 K C 0.614 177.384 176.600 0.284 0.000 1.026 240 K CA 0.525 56.989 56.287 0.294 0.000 1.064 240 K CB 0.119 32.681 32.500 0.104 0.000 0.833 240 K HN 0.604 nan 8.250 nan 0.000 0.521 241 H N -1.338 117.960 119.070 0.380 0.000 3.233 241 H HA 0.190 4.746 4.556 -0.000 0.000 0.263 241 H C -0.766 174.612 175.328 0.084 0.000 1.168 241 H CA 0.005 56.168 56.048 0.192 0.000 1.159 241 H CB 0.691 30.316 29.762 -0.228 0.000 1.593 241 H HN -0.056 nan 8.280 nan 0.000 0.580 242 F N 1.674 121.789 119.950 0.275 0.000 2.557 242 F HA 0.359 4.886 4.527 -0.000 0.000 0.316 242 F C 0.084 175.994 175.800 0.184 0.000 1.141 242 F CA -1.216 56.937 58.000 0.254 0.000 0.922 242 F CB 1.882 41.052 39.000 0.283 0.000 1.194 242 F HN -0.244 nan 8.300 nan 0.000 0.443 243 V N 0.024 120.081 119.914 0.238 0.000 3.001 243 V HA 1.030 5.150 4.120 -0.000 0.000 0.314 243 V C -0.808 175.349 176.094 0.104 0.000 1.099 243 V CA -1.174 61.188 62.300 0.103 0.000 0.989 243 V CB 1.518 33.284 31.823 -0.095 0.000 1.040 243 V HN 0.982 nan 8.190 nan 0.000 0.434 244 A N 3.069 125.926 122.820 0.062 0.000 2.365 244 A HA 0.882 5.202 4.320 -0.000 0.000 0.318 244 A C -0.792 176.854 177.584 0.102 0.000 1.091 244 A CA -0.766 51.299 52.037 0.047 0.000 0.763 244 A CB 1.492 20.335 19.000 -0.261 0.000 1.248 244 A HN 1.024 nan 8.150 nan 0.000 0.442 245 L N 3.080 124.386 121.223 0.139 0.000 2.335 245 L HA 0.541 4.881 4.340 -0.000 0.000 0.268 245 L C 0.105 177.145 176.870 0.284 0.000 1.037 245 L CA -0.136 54.817 54.840 0.189 0.000 0.895 245 L CB 0.054 42.165 42.059 0.087 0.000 1.266 245 L HN 0.931 nan 8.230 nan 0.000 0.439 246 S N -0.443 115.323 115.700 0.110 0.000 2.694 246 S HA 0.393 4.863 4.470 -0.000 0.000 0.273 246 S C 0.178 174.600 174.600 -0.298 0.000 1.180 246 S CA 0.068 58.221 58.200 -0.080 0.000 0.864 246 S CB 1.747 64.935 63.200 -0.019 0.000 1.198 246 S HN 0.371 nan 8.310 nan 0.000 0.499 247 T N -2.500 111.841 114.554 -0.355 0.000 3.004 247 T HA 0.318 4.668 4.350 -0.000 0.000 0.266 247 T C 0.268 174.830 174.700 -0.230 0.000 0.986 247 T CA -0.023 61.877 62.100 -0.333 0.000 0.902 247 T CB -0.398 68.227 68.868 -0.406 0.000 1.118 247 T HN 0.509 nan 8.240 nan 0.000 0.522 248 N N 2.784 121.364 118.700 -0.200 0.000 2.819 248 N HA 0.128 4.867 4.740 -0.000 0.000 0.284 248 N C 0.990 176.392 175.510 -0.180 0.000 1.196 248 N CA 0.166 53.133 53.050 -0.137 0.000 1.114 248 N CB 0.192 38.655 38.487 -0.040 0.000 1.437 248 N HN 0.310 nan 8.380 nan 0.000 0.518 249 T N 0.264 114.722 114.554 -0.159 0.000 2.653 249 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 249 T C 1.630 176.261 174.700 -0.115 0.000 1.035 249 T CA 2.187 64.197 62.100 -0.149 0.000 1.154 249 T CB -0.346 68.458 68.868 -0.106 0.000 0.862 249 T HN 0.435 nan 8.240 nan 0.000 0.441 250 T N 2.131 116.644 114.554 -0.068 0.000 2.652 250 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 250 T C 2.087 176.785 174.700 -0.004 0.000 1.039 250 T CA 1.058 63.141 62.100 -0.028 0.000 1.153 250 T CB -0.189 68.674 68.868 -0.008 0.000 0.863 250 T HN 0.238 nan 8.240 nan 0.000 0.428 251 K N 0.859 121.269 120.400 0.017 0.000 2.097 251 K HA 0.033 4.353 4.320 -0.000 0.000 0.206 251 K C 2.362 179.027 176.600 0.107 0.000 1.049 251 K CA 0.615 56.981 56.287 0.132 0.000 0.933 251 K CB -0.932 31.726 32.500 0.264 0.000 0.717 251 K HN 0.262 nan 8.250 nan 0.000 0.442 252 V N 1.721 121.490 119.914 -0.242 0.000 2.343 252 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 252 V C 2.230 178.280 176.094 -0.074 0.000 1.051 252 V CA 1.697 63.720 62.300 -0.462 0.000 1.036 252 V CB -0.349 31.100 31.823 -0.623 0.000 0.654 252 V HN 0.332 nan 8.190 nan 0.000 0.451 253 K N -0.033 120.342 120.400 -0.043 0.000 2.025 253 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 253 K C 2.114 178.754 176.600 0.066 0.000 1.049 253 K CA 1.578 57.872 56.287 0.011 0.000 0.933 253 K CB -0.247 32.248 32.500 -0.009 0.000 0.714 253 K HN 0.553 nan 8.250 nan 0.000 0.438 254 E N 0.298 120.546 120.200 0.081 0.000 2.160 254 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 254 E C 1.783 178.452 176.600 0.115 0.000 0.991 254 E CA 1.006 57.457 56.400 0.085 0.000 0.810 254 E CB -0.221 29.534 29.700 0.091 0.000 0.742 254 E HN 0.256 nan 8.360 nan 0.000 0.466 255 F N 0.315 120.298 119.950 0.054 0.000 2.365 255 F HA -0.006 4.521 4.527 -0.000 0.000 0.300 255 F C 1.498 177.280 175.800 -0.029 0.000 1.090 255 F CA 1.433 59.464 58.000 0.051 0.000 1.408 255 F CB 0.382 39.513 39.000 0.217 0.000 1.060 255 F HN 0.107 nan 8.300 nan 0.000 0.534 256 G N 0.696 109.574 108.800 0.130 0.000 2.168 256 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.197 256 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.197 256 G C 0.229 175.212 174.900 0.138 0.000 0.997 256 G CA -0.029 45.101 45.100 0.051 0.000 0.658 256 G HN 0.288 nan 8.290 nan 0.000 0.513 257 I N 1.437 122.133 120.570 0.211 0.000 2.472 257 I HA 0.252 4.422 4.170 -0.000 0.000 0.290 257 I C 0.226 176.400 176.117 0.095 0.000 1.016 257 I CA -0.640 60.772 61.300 0.186 0.000 1.348 257 I CB 1.030 39.124 38.000 0.157 0.000 1.417 257 I HN 0.048 nan 8.210 nan 0.000 0.521 258 D N 8.162 128.629 120.400 0.112 0.000 2.371 258 D HA 0.091 4.731 4.640 -0.000 0.000 0.256 258 D C -1.707 174.591 176.300 -0.003 0.000 1.193 258 D CA -1.934 52.107 54.000 0.068 0.000 0.881 258 D CB 1.550 42.420 40.800 0.117 0.000 1.143 258 D HN 0.181 nan 8.370 nan 0.000 0.473 259 P HA -0.202 nan 4.420 nan 0.000 0.217 259 P C 1.115 178.337 177.300 -0.130 0.000 1.148 259 P CA 1.476 64.520 63.100 -0.093 0.000 0.834 259 P CB -0.004 31.653 31.700 -0.071 0.000 0.783 260 Q N -1.471 118.274 119.800 -0.092 0.000 2.437 260 Q HA -0.060 4.280 4.340 -0.000 0.000 0.210 260 Q C 0.527 176.383 176.000 -0.240 0.000 0.972 260 Q CA 0.942 56.670 55.803 -0.124 0.000 0.903 260 Q CB -0.639 28.074 28.738 -0.042 0.000 0.967 260 Q HN 0.241 nan 8.270 nan 0.000 0.486 261 N N 0.606 119.172 118.700 -0.223 0.000 2.453 261 N HA 0.203 4.943 4.740 -0.000 0.000 0.270 261 N C -1.028 174.227 175.510 -0.425 0.000 1.195 261 N CA 0.056 52.886 53.050 -0.367 0.000 0.902 261 N CB 0.801 39.244 38.487 -0.074 0.000 1.186 261 N HN 0.355 nan 8.380 nan 0.000 0.510 262 M N 0.941 120.253 119.600 -0.480 0.000 2.072 262 M HA 0.376 4.856 4.480 -0.000 0.000 0.331 262 M C -1.425 174.614 176.300 -0.435 0.000 1.004 262 M CA -0.626 54.473 55.300 -0.335 0.000 0.952 262 M CB 0.399 32.831 32.600 -0.280 0.000 1.511 262 M HN -0.173 nan 8.290 nan 0.000 0.422 263 F N 3.617 123.460 119.950 -0.177 0.000 2.421 263 F HA 0.351 4.878 4.527 -0.000 0.000 0.358 263 F C 0.427 176.165 175.800 -0.103 0.000 1.115 263 F CA -0.344 57.576 58.000 -0.134 0.000 1.160 263 F CB 0.537 39.453 39.000 -0.140 0.000 1.123 263 F HN 0.529 nan 8.300 nan 0.000 0.508 264 E N 3.692 123.849 120.200 -0.071 0.000 2.283 264 E HA 0.636 4.986 4.350 -0.000 0.000 0.267 264 E C -0.864 175.435 176.600 -0.501 0.000 1.045 264 E CA -0.683 55.541 56.400 -0.294 0.000 0.884 264 E CB 1.611 31.061 29.700 -0.417 0.000 1.106 264 E HN 0.518 nan 8.360 nan 0.000 0.408 265 F N -2.007 117.327 119.950 -1.027 0.000 2.726 265 F HA 0.656 5.183 4.527 -0.000 0.000 0.324 265 F C -1.008 173.884 175.800 -1.514 0.000 1.140 265 F CA -1.199 55.945 58.000 -1.427 0.000 0.964 265 F CB 1.144 39.814 39.000 -0.551 0.000 1.399 265 F HN 0.336 nan 8.300 nan 0.000 0.491 266 W N 0.696 121.725 121.300 -0.452 0.000 2.804 266 W HA 0.227 4.887 4.660 -0.000 0.000 0.352 266 W C 0.202 176.367 176.519 -0.589 0.000 1.153 266 W CA -0.243 56.662 57.345 -0.732 0.000 1.119 266 W CB 1.082 29.750 29.460 -1.320 0.000 1.448 266 W HN 0.733 nan 8.180 nan 0.000 0.600 267 D N -1.089 119.175 120.400 -0.227 0.000 2.350 267 D HA -0.184 4.456 4.640 -0.000 0.000 0.216 267 D C 1.398 177.744 176.300 0.077 0.000 0.968 267 D CA 1.023 54.992 54.000 -0.053 0.000 0.894 267 D CB -0.492 40.325 40.800 0.028 0.000 0.909 267 D HN 0.461 nan 8.370 nan 0.000 0.520 268 W N 0.313 121.737 121.300 0.206 0.000 3.256 268 W HA 0.383 5.043 4.660 -0.000 0.000 0.269 268 W C -0.621 176.002 176.519 0.173 0.000 1.310 268 W CA -0.624 56.795 57.345 0.122 0.000 1.673 268 W CB -0.371 29.114 29.460 0.041 0.000 1.115 268 W HN -0.224 nan 8.180 nan 0.000 0.686 269 V N 2.529 122.596 119.914 0.255 0.000 2.318 269 V HA 0.468 4.588 4.120 -0.000 0.000 0.271 269 V C 0.923 177.213 176.094 0.327 0.000 1.030 269 V CA -0.597 61.912 62.300 0.348 0.000 0.844 269 V CB 0.421 32.425 31.823 0.301 0.000 1.015 269 V HN 0.118 nan 8.190 nan 0.000 0.460 270 G N 3.192 112.227 108.800 0.392 0.000 2.483 270 G HA2 0.405 4.365 3.960 -0.000 0.000 0.248 270 G HA3 0.405 4.365 3.960 -0.000 0.000 0.248 270 G C 1.118 176.182 174.900 0.274 0.000 1.248 270 G CA 0.196 45.523 45.100 0.378 0.000 0.838 270 G HN 0.858 nan 8.290 nan 0.000 0.566 271 G N 1.338 110.230 108.800 0.153 0.000 2.446 271 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 271 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 271 G C 1.601 176.471 174.900 -0.050 0.000 1.168 271 G CA 0.841 45.963 45.100 0.037 0.000 0.771 271 G HN 0.770 nan 8.290 nan 0.000 0.551 272 R N -0.921 119.502 120.500 -0.128 0.000 2.328 272 R HA 0.203 4.543 4.340 -0.000 0.000 0.206 272 R C 0.158 176.114 176.300 -0.572 0.000 0.990 272 R CA 0.377 56.235 56.100 -0.403 0.000 1.085 272 R CB -0.298 29.674 30.300 -0.547 0.000 0.998 272 R HN 0.477 nan 8.270 nan 0.000 0.484 273 Y N -0.083 120.229 120.300 0.020 0.000 2.768 273 Y HA 0.152 4.702 4.550 -0.000 0.000 0.249 273 Y C 1.278 177.308 175.900 0.216 0.000 1.146 273 Y CA -0.341 57.808 58.100 0.082 0.000 1.171 273 Y CB 1.218 39.599 38.460 -0.132 0.000 1.249 273 Y HN 0.196 nan 8.280 nan 0.000 0.567 274 S N -0.306 115.488 115.700 0.156 0.000 2.548 274 S HA -0.037 4.433 4.470 -0.000 0.000 0.215 274 S C 1.650 176.212 174.600 -0.065 0.000 0.976 274 S CA 0.208 58.441 58.200 0.054 0.000 0.908 274 S CB -0.496 62.616 63.200 -0.147 0.000 0.781 274 S HN 0.446 nan 8.310 nan 0.000 0.519 275 L N -1.569 119.522 121.223 -0.220 0.000 2.450 275 L HA 0.295 4.635 4.340 -0.000 0.000 0.224 275 L C 1.569 178.276 176.870 -0.271 0.000 1.149 275 L CA 0.744 55.367 54.840 -0.360 0.000 0.816 275 L CB -1.511 40.191 42.059 -0.596 0.000 0.932 275 L HN 0.375 nan 8.230 nan 0.000 0.449 276 W N 0.385 121.756 121.300 0.118 0.000 3.139 276 W HA 0.324 4.984 4.660 -0.000 0.000 0.260 276 W C 1.691 178.374 176.519 0.273 0.000 1.312 276 W CA 0.269 57.698 57.345 0.140 0.000 1.606 276 W CB -0.640 28.873 29.460 0.089 0.000 1.118 276 W HN 0.343 nan 8.180 nan 0.000 0.675 277 S N 0.203 116.131 115.700 0.379 0.000 2.561 277 S HA 0.682 5.152 4.470 -0.000 0.000 0.282 277 S C 1.643 176.348 174.600 0.176 0.000 1.123 277 S CA -0.051 58.337 58.200 0.313 0.000 1.011 277 S CB 0.362 63.674 63.200 0.185 0.000 1.244 277 S HN -0.012 nan 8.310 nan 0.000 0.503 278 A N 0.202 123.063 122.820 0.069 0.000 2.024 278 A HA -0.020 4.300 4.320 -0.000 0.000 0.220 278 A C 1.971 179.450 177.584 -0.175 0.000 1.164 278 A CA 1.507 53.538 52.037 -0.011 0.000 0.643 278 A CB -1.312 17.748 19.000 0.101 0.000 0.806 278 A HN 0.649 nan 8.150 nan 0.000 0.451 279 I N 0.172 120.571 120.570 -0.285 0.000 2.399 279 I HA -0.188 3.982 4.170 -0.000 0.000 0.254 279 I C 2.292 178.288 176.117 -0.203 0.000 1.146 279 I CA 1.307 62.426 61.300 -0.302 0.000 1.412 279 I CB -0.522 37.239 38.000 -0.398 0.000 1.076 279 I HN 0.309 nan 8.210 nan 0.000 0.432 280 G N -0.570 108.136 108.800 -0.156 0.000 3.088 280 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.212 280 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.212 280 G C 1.484 176.152 174.900 -0.387 0.000 1.173 280 G CA -0.155 44.845 45.100 -0.168 0.000 0.779 280 G HN 0.280 nan 8.290 nan 0.000 0.540 281 L N 2.176 123.164 121.223 -0.391 0.000 2.051 281 L HA -0.212 4.128 4.340 -0.000 0.000 0.214 281 L C 3.041 179.725 176.870 -0.311 0.000 1.076 281 L CA 2.677 57.250 54.840 -0.445 0.000 0.758 281 L CB -0.584 41.143 42.059 -0.553 0.000 0.890 281 L HN 0.327 nan 8.230 nan 0.000 0.433 282 S N -1.107 114.464 115.700 -0.214 0.000 2.399 282 S HA -0.187 4.283 4.470 -0.000 0.000 0.231 282 S C 2.024 176.586 174.600 -0.062 0.000 1.022 282 S CA 1.502 59.623 58.200 -0.133 0.000 0.983 282 S CB -0.998 62.143 63.200 -0.099 0.000 0.803 282 S HN 0.554 nan 8.310 nan 0.000 0.480 283 I N 2.460 122.983 120.570 -0.078 0.000 2.142 283 I HA -0.137 4.033 4.170 -0.000 0.000 0.240 283 I C 3.133 179.238 176.117 -0.020 0.000 1.078 283 I CA 1.196 62.495 61.300 -0.002 0.000 1.343 283 I CB -0.843 37.178 38.000 0.035 0.000 1.046 283 I HN 0.404 nan 8.210 nan 0.000 0.405 284 A N 1.039 123.725 122.820 -0.224 0.000 1.940 284 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 284 A C 2.323 179.895 177.584 -0.021 0.000 1.176 284 A CA 1.556 53.504 52.037 -0.149 0.000 0.631 284 A CB -0.910 17.902 19.000 -0.314 0.000 0.814 284 A HN 0.397 nan 8.150 nan 0.000 0.446 285 L N -1.902 119.287 121.223 -0.056 0.000 2.093 285 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 285 L C 2.673 179.565 176.870 0.036 0.000 1.085 285 L CA 1.631 56.450 54.840 -0.035 0.000 0.755 285 L CB -0.570 41.443 42.059 -0.078 0.000 0.904 285 L HN 0.610 nan 8.230 nan 0.000 0.435 286 H N -0.385 118.652 119.070 -0.054 0.000 2.307 286 H HA -0.076 4.480 4.556 -0.000 0.000 0.303 286 H C 1.821 177.149 175.328 -0.001 0.000 1.073 286 H CA 1.926 57.956 56.048 -0.030 0.000 1.338 286 H CB 0.520 30.271 29.762 -0.017 0.000 1.389 286 H HN 0.252 nan 8.280 nan 0.000 0.503 287 V N -1.791 118.135 119.914 0.019 0.000 3.542 287 V HA 0.444 4.564 4.120 -0.000 0.000 0.296 287 V C 0.591 176.703 176.094 0.030 0.000 1.364 287 V CA 0.355 62.645 62.300 -0.016 0.000 1.118 287 V CB -0.010 31.833 31.823 0.033 0.000 0.972 287 V HN 0.632 nan 8.190 nan 0.000 0.430 288 G N -0.051 108.777 108.800 0.047 0.000 2.721 288 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.686 288 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.686 288 G C -0.405 174.584 174.900 0.149 0.000 1.236 288 G CA -0.025 45.129 45.100 0.090 0.000 0.786 288 G HN 0.414 nan 8.290 nan 0.000 0.616 289 F N 0.966 120.954 119.950 0.063 0.000 2.216 289 F HA -0.014 4.513 4.527 -0.000 0.000 0.300 289 F C 2.277 178.178 175.800 0.169 0.000 1.085 289 F CA 2.338 60.416 58.000 0.129 0.000 1.326 289 F CB 0.121 39.182 39.000 0.102 0.000 1.027 289 F HN 0.526 nan 8.300 nan 0.000 0.497 290 D N -0.021 120.470 120.400 0.150 0.000 2.117 290 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 290 D C 1.875 178.156 176.300 -0.032 0.000 0.987 290 D CA 1.186 55.222 54.000 0.059 0.000 0.829 290 D CB -0.496 40.357 40.800 0.088 0.000 0.961 290 D HN 0.319 nan 8.370 nan 0.000 0.460 291 N N -0.010 118.681 118.700 -0.014 0.000 2.331 291 N HA -0.107 4.633 4.740 -0.000 0.000 0.180 291 N C 1.640 177.104 175.510 -0.078 0.000 1.019 291 N CA 0.149 53.159 53.050 -0.067 0.000 0.881 291 N CB -0.323 38.124 38.487 -0.068 0.000 0.972 291 N HN 0.153 nan 8.380 nan 0.000 0.435 292 F N 2.546 122.354 119.950 -0.237 0.000 2.134 292 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 292 F C 2.100 177.725 175.800 -0.292 0.000 1.097 292 F CA 1.340 59.173 58.000 -0.278 0.000 1.264 292 F CB -0.166 38.607 39.000 -0.379 0.000 1.001 292 F HN 0.019 nan 8.300 nan 0.000 0.479 293 E N -0.468 119.485 120.200 -0.411 0.000 2.110 293 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 293 E C 2.170 178.646 176.600 -0.207 0.000 0.988 293 E CA 1.122 57.312 56.400 -0.350 0.000 0.804 293 E CB -0.217 29.346 29.700 -0.228 0.000 0.745 293 E HN 0.493 nan 8.360 nan 0.000 0.458 294 Q N 0.455 120.167 119.800 -0.147 0.000 2.084 294 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 294 Q C 2.397 178.338 176.000 -0.099 0.000 0.978 294 Q CA 0.839 56.611 55.803 -0.053 0.000 0.844 294 Q CB -0.434 28.265 28.738 -0.065 0.000 0.898 294 Q HN 0.250 nan 8.270 nan 0.000 0.426 295 L N 0.458 121.573 121.223 -0.179 0.000 2.012 295 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 295 L C 2.073 178.897 176.870 -0.076 0.000 1.073 295 L CA 1.451 56.202 54.840 -0.149 0.000 0.748 295 L CB -0.737 41.200 42.059 -0.204 0.000 0.891 295 L HN 0.117 nan 8.230 nan 0.000 0.431 296 L N -0.812 120.297 121.223 -0.191 0.000 2.046 296 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 296 L C 2.608 179.406 176.870 -0.120 0.000 1.077 296 L CA 1.851 56.612 54.840 -0.131 0.000 0.747 296 L CB -1.248 40.666 42.059 -0.242 0.000 0.896 296 L HN 0.248 nan 8.230 nan 0.000 0.432 297 S N -0.517 115.126 115.700 -0.095 0.000 2.399 297 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 297 S C 2.034 176.507 174.600 -0.211 0.000 1.022 297 S CA 1.062 59.279 58.200 0.028 0.000 0.983 297 S CB -0.715 62.604 63.200 0.198 0.000 0.803 297 S HN 0.604 nan 8.310 nan 0.000 0.480 298 G N 1.284 109.651 108.800 -0.722 0.000 2.402 298 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.216 298 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.216 298 G C 1.547 176.185 174.900 -0.436 0.000 1.162 298 G CA 0.805 45.103 45.100 -1.337 0.000 0.777 298 G HN 0.568 nan 8.290 nan 0.000 0.539 299 A N 0.412 123.078 122.820 -0.255 0.000 1.898 299 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 299 A C 2.118 179.655 177.584 -0.078 0.000 1.181 299 A CA 2.050 53.939 52.037 -0.246 0.000 0.620 299 A CB -0.826 17.719 19.000 -0.759 0.000 0.819 299 A HN 0.476 nan 8.150 nan 0.000 0.442 300 H N -2.039 116.949 119.070 -0.137 0.000 2.352 300 H HA -0.223 4.333 4.556 -0.000 0.000 0.299 300 H C 1.740 177.115 175.328 0.079 0.000 1.097 300 H CA 2.136 58.170 56.048 -0.022 0.000 1.311 300 H CB -0.475 29.285 29.762 -0.004 0.000 1.377 300 H HN 0.692 nan 8.280 nan 0.000 0.504 301 W N 0.087 121.351 121.300 -0.060 0.000 2.355 301 W HA -0.244 4.416 4.660 -0.000 0.000 0.309 301 W C 2.355 178.884 176.519 0.016 0.000 1.206 301 W CA 1.869 59.209 57.345 -0.009 0.000 1.284 301 W CB -0.339 29.208 29.460 0.144 0.000 1.145 301 W HN 0.283 nan 8.180 nan 0.000 0.502 302 M N 0.946 120.753 119.600 0.346 0.000 2.296 302 M HA -0.158 4.322 4.480 -0.000 0.000 0.265 302 M C 1.311 177.750 176.300 0.233 0.000 1.064 302 M CA 1.930 57.415 55.300 0.308 0.000 1.109 302 M CB -0.802 31.973 32.600 0.292 0.000 1.396 302 M HN -0.117 nan 8.290 nan 0.000 0.430 303 D N -0.372 120.146 120.400 0.197 0.000 2.117 303 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 303 D C 1.969 178.315 176.300 0.078 0.000 0.987 303 D CA 1.129 55.339 54.000 0.350 0.000 0.829 303 D CB -0.249 40.743 40.800 0.319 0.000 0.961 303 D HN 0.392 nan 8.370 nan 0.000 0.460 304 Q N -0.078 119.601 119.800 -0.201 0.000 2.119 304 Q HA -0.141 4.199 4.340 -0.000 0.000 0.201 304 Q C 2.111 177.895 176.000 -0.361 0.000 0.972 304 Q CA 0.894 56.482 55.803 -0.359 0.000 0.847 304 Q CB -0.827 27.618 28.738 -0.488 0.000 0.903 304 Q HN 0.604 nan 8.270 nan 0.000 0.433 305 H N -0.104 118.673 119.070 -0.488 0.000 2.321 305 H HA -0.147 4.409 4.556 -0.000 0.000 0.300 305 H C 1.799 177.051 175.328 -0.127 0.000 1.087 305 H CA 1.432 57.245 56.048 -0.392 0.000 1.319 305 H CB -0.215 29.294 29.762 -0.421 0.000 1.379 305 H HN 0.202 nan 8.280 nan 0.000 0.501 306 F N 1.929 121.797 119.950 -0.137 0.000 2.171 306 F HA -0.093 4.433 4.527 -0.000 0.000 0.300 306 F C 2.793 178.391 175.800 -0.336 0.000 1.090 306 F CA 1.509 59.410 58.000 -0.166 0.000 1.293 306 F CB -0.500 38.437 39.000 -0.105 0.000 1.013 306 F HN 0.042 nan 8.300 nan 0.000 0.486 307 R N -0.618 119.549 120.500 -0.556 0.000 2.127 307 R HA -0.044 4.296 4.340 -0.000 0.000 0.217 307 R C 1.947 177.922 176.300 -0.542 0.000 1.074 307 R CA 1.597 57.232 56.100 -0.775 0.000 0.991 307 R CB -0.251 29.494 30.300 -0.925 0.000 0.895 307 R HN 0.434 nan 8.270 nan 0.000 0.450 308 T N -2.963 111.331 114.554 -0.433 0.000 3.040 308 T HA 0.140 4.490 4.350 -0.000 0.000 0.250 308 T C 0.467 174.981 174.700 -0.309 0.000 1.058 308 T CA -0.148 61.747 62.100 -0.341 0.000 0.988 308 T CB 0.427 69.120 68.868 -0.291 0.000 0.993 308 T HN -0.111 nan 8.240 nan 0.000 0.519 309 T N 5.421 119.751 114.554 -0.373 0.000 2.806 309 T HA 0.430 4.780 4.350 -0.000 0.000 0.290 309 T C -2.565 171.988 174.700 -0.245 0.000 0.966 309 T CA -1.193 60.705 62.100 -0.336 0.000 1.060 309 T CB 1.293 69.829 68.868 -0.553 0.000 0.927 309 T HN 0.223 nan 8.240 nan 0.000 0.485 310 P HA 0.092 nan 4.420 nan 0.000 0.267 310 P C 1.045 178.274 177.300 -0.120 0.000 1.200 310 P CA -0.200 62.817 63.100 -0.139 0.000 0.772 310 P CB 0.804 32.439 31.700 -0.108 0.000 0.855 311 L N 1.887 123.045 121.223 -0.108 0.000 2.021 311 L HA -0.279 4.061 4.340 -0.000 0.000 0.215 311 L C 2.197 179.026 176.870 -0.069 0.000 1.074 311 L CA 2.014 56.805 54.840 -0.082 0.000 0.760 311 L CB -1.054 40.956 42.059 -0.082 0.000 0.889 311 L HN 0.372 nan 8.230 nan 0.000 0.433 312 E N -0.228 119.930 120.200 -0.070 0.000 2.331 312 E HA -0.158 4.192 4.350 -0.000 0.000 0.199 312 E C 1.427 178.012 176.600 -0.026 0.000 1.008 312 E CA 0.850 57.216 56.400 -0.057 0.000 0.843 312 E CB -0.030 29.634 29.700 -0.060 0.000 0.761 312 E HN 0.282 nan 8.360 nan 0.000 0.507 313 K N -0.001 120.385 120.400 -0.023 0.000 2.447 313 K HA 0.135 4.455 4.320 -0.000 0.000 0.205 313 K C -0.051 176.582 176.600 0.055 0.000 1.059 313 K CA -0.187 56.116 56.287 0.027 0.000 1.065 313 K CB 0.465 32.974 32.500 0.015 0.000 0.885 313 K HN -0.006 nan 8.250 nan 0.000 0.545 314 N N 1.690 120.395 118.700 0.008 0.000 2.401 314 N HA 0.114 4.853 4.740 -0.000 0.000 0.255 314 N C 0.819 176.433 175.510 0.173 0.000 1.110 314 N CA 0.169 53.249 53.050 0.049 0.000 0.949 314 N CB 1.432 39.921 38.487 0.004 0.000 1.110 314 N HN 0.066 nan 8.380 nan 0.000 0.490 315 A N 6.881 129.939 122.820 0.396 0.000 1.859 315 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 315 A C -0.551 177.073 177.584 0.066 0.000 1.198 315 A CA 1.466 53.620 52.037 0.195 0.000 0.629 315 A CB -1.400 17.691 19.000 0.151 0.000 0.830 315 A HN 0.562 nan 8.150 nan 0.000 0.446 316 P HA -0.106 nan 4.420 nan 0.000 0.216 316 P C 1.613 178.886 177.300 -0.044 0.000 1.150 316 P CA 1.411 64.483 63.100 -0.046 0.000 0.837 316 P CB -0.139 31.479 31.700 -0.138 0.000 0.786 317 V N -0.599 119.335 119.914 0.033 0.000 2.307 317 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 317 V C 2.436 178.487 176.094 -0.073 0.000 1.045 317 V CA 1.622 63.929 62.300 0.011 0.000 1.024 317 V CB -1.199 30.659 31.823 0.058 0.000 0.651 317 V HN 0.074 nan 8.190 nan 0.000 0.449 318 L N -0.835 120.327 121.223 -0.101 0.000 2.056 318 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 318 L C 2.434 179.193 176.870 -0.186 0.000 1.078 318 L CA 1.427 56.141 54.840 -0.210 0.000 0.749 318 L CB -0.560 41.282 42.059 -0.361 0.000 0.901 318 L HN 0.300 nan 8.230 nan 0.000 0.433 319 L N -0.224 120.921 121.223 -0.130 0.000 2.042 319 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 319 L C 2.897 179.725 176.870 -0.069 0.000 1.076 319 L CA 1.234 56.029 54.840 -0.076 0.000 0.749 319 L CB -0.710 41.284 42.059 -0.107 0.000 0.893 319 L HN 0.258 nan 8.230 nan 0.000 0.432 320 A N -0.261 122.499 122.820 -0.100 0.000 1.873 320 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 320 A C 2.130 179.635 177.584 -0.132 0.000 1.186 320 A CA 1.364 53.325 52.037 -0.127 0.000 0.616 320 A CB -0.553 18.359 19.000 -0.148 0.000 0.823 320 A HN 0.242 nan 8.150 nan 0.000 0.442 321 L N -0.321 120.826 121.223 -0.126 0.000 2.046 321 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 321 L C 2.491 179.324 176.870 -0.063 0.000 1.077 321 L CA 1.428 56.198 54.840 -0.117 0.000 0.747 321 L CB -0.897 41.074 42.059 -0.147 0.000 0.896 321 L HN 0.372 nan 8.230 nan 0.000 0.432 322 L N -1.249 119.937 121.223 -0.061 0.000 2.079 322 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 322 L C 2.466 179.396 176.870 0.101 0.000 1.081 322 L CA 1.320 56.154 54.840 -0.009 0.000 0.752 322 L CB -1.130 40.977 42.059 0.079 0.000 0.896 322 L HN 0.412 nan 8.230 nan 0.000 0.433 323 G N 0.084 108.959 108.800 0.125 0.000 2.402 323 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 323 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 323 G C 1.515 176.544 174.900 0.215 0.000 1.162 323 G CA 0.334 45.548 45.100 0.191 0.000 0.777 323 G HN 0.152 nan 8.290 nan 0.000 0.539 324 I N -0.103 120.532 120.570 0.108 0.000 2.226 324 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 324 I C 2.385 178.675 176.117 0.289 0.000 1.100 324 I CA 0.686 62.077 61.300 0.151 0.000 1.374 324 I CB -1.075 36.909 38.000 -0.027 0.000 1.057 324 I HN 0.472 nan 8.210 nan 0.000 0.413 325 W N 1.365 122.660 121.300 -0.008 0.000 2.333 325 W HA -0.325 4.335 4.660 -0.000 0.000 0.316 325 W C 2.557 179.138 176.519 0.103 0.000 1.215 325 W CA 1.476 58.800 57.345 -0.034 0.000 1.278 325 W CB -0.432 28.869 29.460 -0.264 0.000 1.154 325 W HN 0.080 nan 8.180 nan 0.000 0.486 326 Y N 0.419 120.855 120.300 0.227 0.000 2.263 326 Y HA -0.156 4.394 4.550 -0.000 0.000 0.292 326 Y C 2.472 178.464 175.900 0.155 0.000 1.130 326 Y CA 1.518 59.670 58.100 0.086 0.000 1.179 326 Y CB -1.136 37.361 38.460 0.060 0.000 0.998 326 Y HN -0.076 nan 8.280 nan 0.000 0.532 327 I N -0.151 120.628 120.570 0.349 0.000 2.193 327 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 327 I C 1.378 177.636 176.117 0.235 0.000 1.084 327 I CA 1.682 63.160 61.300 0.296 0.000 1.365 327 I CB -0.374 37.852 38.000 0.376 0.000 1.064 327 I HN 0.170 nan 8.210 nan 0.000 0.410 328 N N -0.911 117.950 118.700 0.268 0.000 2.424 328 N HA -0.014 4.726 4.740 -0.000 0.000 0.178 328 N C 1.447 177.027 175.510 0.115 0.000 1.060 328 N CA 0.470 53.678 53.050 0.264 0.000 0.901 328 N CB 0.235 38.949 38.487 0.379 0.000 0.979 328 N HN 0.313 nan 8.380 nan 0.000 0.451 329 C N -1.251 117.980 119.300 -0.115 0.000 2.378 329 C HA 0.270 4.730 4.460 -0.000 0.000 0.389 329 C C 1.656 176.067 174.990 -0.965 0.000 1.394 329 C CA -0.274 58.309 59.018 -0.724 0.000 2.275 329 C CB -0.758 26.327 27.740 -1.091 0.000 2.567 329 C HN 0.340 nan 8.230 nan 0.000 0.556 330 F N 1.355 120.990 119.950 -0.526 0.000 2.743 330 F HA 0.259 4.786 4.527 -0.000 0.000 0.297 330 F C 2.020 177.807 175.800 -0.022 0.000 1.131 330 F CA 1.254 59.157 58.000 -0.163 0.000 1.426 330 F CB -0.482 38.532 39.000 0.024 0.000 1.116 330 F HN 0.387 nan 8.300 nan 0.000 0.583 331 G N 0.208 109.085 108.800 0.129 0.000 2.176 331 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.252 331 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.252 331 G C -0.003 174.984 174.900 0.145 0.000 1.024 331 G CA -0.047 45.125 45.100 0.119 0.000 0.755 331 G HN 0.303 nan 8.290 nan 0.000 0.507 332 C N 0.385 119.800 119.300 0.191 0.000 2.576 332 C HA 0.340 4.800 4.460 -0.000 0.000 0.401 332 C C 1.813 176.890 174.990 0.146 0.000 1.314 332 C CA -0.128 58.987 59.018 0.162 0.000 1.855 332 C CB 0.575 28.415 27.740 0.166 0.000 2.537 332 C HN 0.630 nan 8.230 nan 0.000 0.578 333 E N 0.498 120.763 120.200 0.108 0.000 2.230 333 E HA -0.051 4.299 4.350 -0.000 0.000 0.192 333 E C 1.111 177.784 176.600 0.122 0.000 0.987 333 E CA 0.843 57.295 56.400 0.086 0.000 0.841 333 E CB 0.333 30.055 29.700 0.038 0.000 0.783 333 E HN 0.905 nan 8.360 nan 0.000 0.481 334 T N -2.342 112.315 114.554 0.171 0.000 2.926 334 T HA 0.430 4.780 4.350 -0.000 0.000 0.289 334 T C -1.046 173.852 174.700 0.330 0.000 1.054 334 T CA -0.902 61.362 62.100 0.273 0.000 1.015 334 T CB 2.104 71.183 68.868 0.351 0.000 1.167 334 T HN 0.032 nan 8.240 nan 0.000 0.526 335 H N -0.142 119.057 119.070 0.216 0.000 3.108 335 H HA 0.651 5.207 4.556 -0.000 0.000 0.329 335 H C -0.723 174.517 175.328 -0.147 0.000 0.978 335 H CA -0.170 55.920 56.048 0.069 0.000 1.413 335 H CB 0.979 30.800 29.762 0.098 0.000 1.670 335 H HN 1.062 nan 8.280 nan 0.000 0.512 336 A N 5.743 128.124 122.820 -0.731 0.000 2.328 336 A HA 0.544 4.864 4.320 -0.000 0.000 0.284 336 A C -0.394 176.744 177.584 -0.744 0.000 1.160 336 A CA -0.599 50.822 52.037 -1.027 0.000 0.818 336 A CB 0.226 18.504 19.000 -1.204 0.000 1.087 336 A HN 0.776 nan 8.150 nan 0.000 0.504 337 M N 3.289 122.583 119.600 -0.510 0.000 2.078 337 M HA 0.365 4.844 4.480 -0.000 0.000 0.320 337 M C -1.275 174.935 176.300 -0.150 0.000 0.969 337 M CA 0.174 55.341 55.300 -0.222 0.000 0.929 337 M CB 1.151 33.697 32.600 -0.090 0.000 1.504 337 M HN 0.525 nan 8.290 nan 0.000 0.419 338 L N 6.061 127.199 121.223 -0.143 0.000 2.457 338 L HA 0.442 4.781 4.340 -0.000 0.000 0.252 338 L C -2.292 174.660 176.870 0.138 0.000 1.132 338 L CA -1.626 53.158 54.840 -0.094 0.000 0.938 338 L CB 0.708 42.537 42.059 -0.383 0.000 1.246 338 L HN 0.330 nan 8.230 nan 0.000 0.476 339 P HA 0.063 nan 4.420 nan 0.000 0.287 339 P C -0.976 176.492 177.300 0.281 0.000 1.281 339 P CA -0.272 62.999 63.100 0.285 0.000 0.781 339 P CB 0.761 32.562 31.700 0.167 0.000 0.903 340 Y N 2.408 122.831 120.300 0.205 0.000 2.667 340 Y HA 0.299 4.849 4.550 -0.000 0.000 0.340 340 Y C 0.361 176.340 175.900 0.131 0.000 1.303 340 Y CA 0.280 58.486 58.100 0.177 0.000 1.769 340 Y CB -0.361 38.252 38.460 0.255 0.000 1.804 340 Y HN 0.408 nan 8.280 nan 0.000 0.451 341 D N -0.143 120.351 120.400 0.157 0.000 2.614 341 D HA 0.077 4.717 4.640 -0.000 0.000 0.203 341 D C 0.532 176.897 176.300 0.110 0.000 1.312 341 D CA -0.290 53.803 54.000 0.157 0.000 0.889 341 D CB 1.055 41.986 40.800 0.218 0.000 1.615 341 D HN 0.093 nan 8.370 nan 0.000 0.567 342 Q N 2.222 122.033 119.800 0.018 0.000 2.170 342 Q HA -0.103 4.237 4.340 -0.000 0.000 0.203 342 Q C 0.829 176.860 176.000 0.051 0.000 0.976 342 Q CA 1.690 57.465 55.803 -0.046 0.000 0.858 342 Q CB -0.145 28.469 28.738 -0.206 0.000 0.907 342 Q HN 0.778 nan 8.270 nan 0.000 0.433 343 Y N -1.310 119.068 120.300 0.130 0.000 2.333 343 Y HA -0.136 4.413 4.550 -0.000 0.000 0.290 343 Y C 0.907 176.951 175.900 0.239 0.000 1.144 343 Y CA -0.049 58.156 58.100 0.176 0.000 1.228 343 Y CB 0.379 38.926 38.460 0.146 0.000 0.985 343 Y HN 0.104 nan 8.280 nan 0.000 0.542 344 L N 0.048 121.474 121.223 0.339 0.000 2.653 344 L HA 0.002 4.342 4.340 -0.000 0.000 0.232 344 L C 1.722 178.751 176.870 0.264 0.000 1.169 344 L CA 0.650 55.634 54.840 0.240 0.000 0.951 344 L CB -1.289 40.837 42.059 0.112 0.000 1.181 344 L HN 0.408 nan 8.230 nan 0.000 0.460 345 H N -2.175 116.974 119.070 0.133 0.000 2.492 345 H HA -0.036 4.520 4.556 -0.000 0.000 0.296 345 H C 1.162 176.560 175.328 0.118 0.000 1.095 345 H CA 0.971 57.081 56.048 0.104 0.000 1.281 345 H CB 0.109 29.910 29.762 0.064 0.000 1.374 345 H HN 0.015 nan 8.280 nan 0.000 0.545 346 R N -0.345 119.992 120.500 -0.272 0.000 2.546 346 R HA 0.092 4.431 4.340 -0.000 0.000 0.320 346 R C 0.615 176.918 176.300 0.005 0.000 1.021 346 R CA -0.263 55.710 56.100 -0.211 0.000 1.088 346 R CB -0.655 29.407 30.300 -0.396 0.000 1.278 346 R HN 0.347 nan 8.270 nan 0.000 0.557 347 F N 1.793 121.725 119.950 -0.030 0.000 2.084 347 F HA -0.095 4.432 4.527 -0.000 0.000 0.296 347 F C 2.127 178.006 175.800 0.132 0.000 1.111 347 F CA 1.643 59.676 58.000 0.055 0.000 1.224 347 F CB -0.102 38.962 39.000 0.107 0.000 0.991 347 F HN 0.107 nan 8.300 nan 0.000 0.471 348 A N 0.232 123.149 122.820 0.161 0.000 1.933 348 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 348 A C 2.379 179.962 177.584 -0.002 0.000 1.175 348 A CA 1.722 53.785 52.037 0.044 0.000 0.628 348 A CB -1.542 17.494 19.000 0.059 0.000 0.814 348 A HN 0.482 nan 8.150 nan 0.000 0.444 349 A N -1.468 121.353 122.820 0.000 0.000 1.933 349 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 349 A C 2.117 179.639 177.584 -0.104 0.000 1.175 349 A CA 1.664 53.680 52.037 -0.035 0.000 0.628 349 A CB -0.777 18.201 19.000 -0.036 0.000 0.814 349 A HN 0.748 nan 8.150 nan 0.000 0.444 350 Y N -0.723 119.407 120.300 -0.282 0.000 2.145 350 Y HA -0.174 4.376 4.550 -0.000 0.000 0.286 350 Y C 1.741 177.318 175.900 -0.538 0.000 1.145 350 Y CA 1.825 59.651 58.100 -0.456 0.000 1.148 350 Y CB -0.442 37.639 38.460 -0.632 0.000 0.981 350 Y HN 0.271 nan 8.280 nan 0.000 0.507 351 F N 0.215 119.939 119.950 -0.376 0.000 2.748 351 F HA -0.060 4.467 4.527 -0.000 0.000 0.299 351 F C 2.456 178.076 175.800 -0.300 0.000 1.154 351 F CA 0.874 58.618 58.000 -0.427 0.000 1.446 351 F CB -0.242 38.498 39.000 -0.434 0.000 1.112 351 F HN 0.151 nan 8.300 nan 0.000 0.584 352 Q N 0.280 120.011 119.800 -0.114 0.000 2.124 352 Q HA -0.257 4.082 4.340 -0.000 0.000 0.202 352 Q C 2.299 178.222 176.000 -0.129 0.000 0.977 352 Q CA 1.656 57.420 55.803 -0.065 0.000 0.850 352 Q CB -0.024 28.685 28.738 -0.048 0.000 0.901 352 Q HN 0.516 nan 8.270 nan 0.000 0.429 353 Q N -1.208 118.435 119.800 -0.261 0.000 2.061 353 Q HA -0.071 4.269 4.340 -0.000 0.000 0.195 353 Q C 1.984 177.779 176.000 -0.342 0.000 0.967 353 Q CA 1.140 56.767 55.803 -0.294 0.000 0.829 353 Q CB -0.272 28.245 28.738 -0.369 0.000 0.900 353 Q HN 0.458 nan 8.270 nan 0.000 0.450 354 G N 1.131 109.603 108.800 -0.546 0.000 2.505 354 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.220 354 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.220 354 G C 1.219 176.026 174.900 -0.156 0.000 1.145 354 G CA 1.298 46.100 45.100 -0.496 0.000 0.761 354 G HN 0.443 nan 8.290 nan 0.000 0.571 355 D N 0.011 120.396 120.400 -0.023 0.000 2.232 355 D HA 0.033 4.673 4.640 -0.000 0.000 0.220 355 D C 2.778 179.099 176.300 0.036 0.000 0.982 355 D CA 0.578 54.618 54.000 0.067 0.000 0.892 355 D CB -0.202 40.660 40.800 0.103 0.000 1.040 355 D HN 0.281 nan 8.370 nan 0.000 0.463 356 M N 0.488 120.090 119.600 0.004 0.000 2.117 356 M HA -0.117 4.363 4.480 -0.000 0.000 0.262 356 M C 2.215 178.501 176.300 -0.024 0.000 1.065 356 M CA 1.331 56.630 55.300 -0.002 0.000 1.114 356 M CB -0.229 32.365 32.600 -0.011 0.000 1.361 356 M HN 0.046 nan 8.290 nan 0.000 0.408 357 E N -0.267 119.895 120.200 -0.063 0.000 2.274 357 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 357 E C 1.767 178.342 176.600 -0.043 0.000 0.996 357 E CA 0.971 57.333 56.400 -0.064 0.000 0.840 357 E CB 0.259 29.895 29.700 -0.106 0.000 0.772 357 E HN 0.369 nan 8.360 nan 0.000 0.491 358 S N 0.743 116.421 115.700 -0.037 0.000 2.348 358 S HA -0.013 4.457 4.470 -0.000 0.000 0.219 358 S C 1.237 175.847 174.600 0.016 0.000 1.033 358 S CA 0.884 59.074 58.200 -0.018 0.000 0.974 358 S CB 0.017 63.229 63.200 0.019 0.000 0.868 358 S HN 0.291 nan 8.310 nan 0.000 0.459 359 N N 0.819 119.561 118.700 0.070 0.000 2.214 359 N HA 0.189 4.928 4.740 -0.000 0.000 0.214 359 N C 0.332 175.858 175.510 0.026 0.000 1.132 359 N CA 0.019 53.141 53.050 0.119 0.000 0.856 359 N CB 0.486 39.162 38.487 0.315 0.000 1.020 359 N HN 0.288 nan 8.380 nan 0.000 0.509 360 G N 0.904 109.711 108.800 0.011 0.000 3.209 360 G HA2 0.158 4.118 3.960 -0.000 0.000 0.274 360 G HA3 0.158 4.118 3.960 -0.000 0.000 0.274 360 G C 0.246 175.160 174.900 0.023 0.000 0.850 360 G CA -0.145 44.946 45.100 -0.015 0.000 1.907 360 G HN -0.113 nan 8.290 nan 0.000 0.591 361 K N 0.337 120.755 120.400 0.031 0.000 2.395 361 K HA 0.378 4.698 4.320 -0.000 0.000 0.245 361 K C -0.415 176.279 176.600 0.155 0.000 1.017 361 K CA -1.004 55.356 56.287 0.123 0.000 0.852 361 K CB 1.947 34.515 32.500 0.113 0.000 1.311 361 K HN 0.439 nan 8.250 nan 0.000 0.452 362 Y N -1.649 118.632 120.300 -0.030 0.000 2.729 362 Y HA 0.405 4.955 4.550 -0.000 0.000 0.266 362 Y C -0.283 175.593 175.900 -0.039 0.000 1.064 362 Y CA -0.556 57.501 58.100 -0.072 0.000 1.251 362 Y CB 0.826 39.241 38.460 -0.076 0.000 1.379 362 Y HN 0.139 nan 8.280 nan 0.000 0.569 363 I N 3.315 123.656 120.570 -0.382 0.000 2.404 363 I HA 0.285 4.455 4.170 -0.000 0.000 0.293 363 I C 0.612 176.692 176.117 -0.061 0.000 0.992 363 I CA -0.629 60.462 61.300 -0.349 0.000 1.149 363 I CB 1.636 39.405 38.000 -0.386 0.000 1.315 363 I HN 0.333 nan 8.210 nan 0.000 0.446 364 T N 2.124 116.662 114.554 -0.027 0.000 2.824 364 T HA 0.235 4.585 4.350 -0.000 0.000 0.277 364 T C 1.175 175.929 174.700 0.090 0.000 0.975 364 T CA -0.524 61.618 62.100 0.069 0.000 0.966 364 T CB 1.471 70.367 68.868 0.048 0.000 1.054 364 T HN 0.663 nan 8.240 nan 0.000 0.533 365 K N 0.181 120.611 120.400 0.049 0.000 2.103 365 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 365 K C 2.145 178.628 176.600 -0.196 0.000 1.048 365 K CA 1.751 57.886 56.287 -0.253 0.000 0.930 365 K CB -0.585 31.663 32.500 -0.420 0.000 0.716 365 K HN 0.738 nan 8.250 nan 0.000 0.444 366 S N -1.020 114.623 115.700 -0.094 0.000 2.607 366 S HA 0.101 4.571 4.470 -0.000 0.000 0.224 366 S C 1.235 175.809 174.600 -0.044 0.000 0.969 366 S CA 0.513 58.672 58.200 -0.068 0.000 0.927 366 S CB 0.102 63.277 63.200 -0.041 0.000 0.772 366 S HN 0.549 nan 8.310 nan 0.000 0.533 367 G N 0.400 109.181 108.800 -0.032 0.000 2.179 367 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 367 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 367 G C 0.159 175.023 174.900 -0.059 0.000 0.977 367 G CA 0.337 45.416 45.100 -0.035 0.000 0.641 367 G HN 0.617 nan 8.290 nan 0.000 0.533 368 T N 0.877 115.401 114.554 -0.051 0.000 2.889 368 T HA 0.493 4.843 4.350 -0.000 0.000 0.291 368 T C 0.686 175.331 174.700 -0.092 0.000 0.995 368 T CA -0.349 61.718 62.100 -0.054 0.000 1.092 368 T CB 1.617 70.471 68.868 -0.025 0.000 0.954 368 T HN 0.499 nan 8.240 nan 0.000 0.506 369 R N 1.994 122.433 120.500 -0.101 0.000 2.594 369 R HA 0.305 4.645 4.340 -0.000 0.000 0.272 369 R C -0.404 175.833 176.300 -0.105 0.000 1.074 369 R CA -0.393 55.625 56.100 -0.138 0.000 1.105 369 R CB 0.331 30.595 30.300 -0.061 0.000 1.008 369 R HN 0.404 nan 8.270 nan 0.000 0.472 370 V N 3.524 123.346 119.914 -0.152 0.000 2.881 370 V HA -0.006 4.114 4.120 -0.000 0.000 0.303 370 V C 0.606 176.555 176.094 -0.242 0.000 1.070 370 V CA 0.299 62.423 62.300 -0.294 0.000 1.074 370 V CB 1.398 32.931 31.823 -0.484 0.000 1.012 370 V HN 0.976 nan 8.190 nan 0.000 0.482 371 D N 1.526 121.763 120.400 -0.271 0.000 2.650 371 D HA 0.179 4.819 4.640 -0.000 0.000 0.265 371 D C -0.151 176.148 176.300 -0.003 0.000 1.339 371 D CA -0.248 53.708 54.000 -0.075 0.000 0.816 371 D CB 0.022 40.841 40.800 0.031 0.000 1.091 371 D HN 0.837 nan 8.370 nan 0.000 0.483 372 H N -3.214 115.861 119.070 0.009 0.000 2.990 372 H HA 0.521 5.077 4.556 -0.000 0.000 0.343 372 H C -0.617 174.658 175.328 -0.088 0.000 1.270 372 H CA -0.953 55.095 56.048 -0.001 0.000 1.118 372 H CB 0.452 30.222 29.762 0.013 0.000 1.861 372 H HN -0.303 nan 8.280 nan 0.000 0.544 373 Q N 0.754 120.607 119.800 0.088 0.000 2.373 373 Q HA 0.305 4.645 4.340 -0.000 0.000 0.255 373 Q C 0.241 176.030 176.000 -0.352 0.000 0.980 373 Q CA 0.547 56.300 55.803 -0.084 0.000 0.882 373 Q CB 1.683 30.410 28.738 -0.018 0.000 1.249 373 Q HN 0.993 nan 8.270 nan 0.000 0.438 374 T N -2.494 111.687 114.554 -0.621 0.000 2.482 374 T HA 0.501 4.851 4.350 -0.000 0.000 0.211 374 T C 0.595 174.572 174.700 -1.204 0.000 0.922 374 T CA -0.226 61.009 62.100 -1.442 0.000 1.141 374 T CB -0.490 67.858 68.868 -0.867 0.000 2.503 374 T HN 0.598 nan 8.240 nan 0.000 0.487 375 G N 3.569 111.891 108.800 -0.796 0.000 2.287 375 G HA2 0.430 4.390 3.960 -0.000 0.000 0.235 375 G HA3 0.430 4.390 3.960 -0.000 0.000 0.235 375 G C -2.127 172.737 174.900 -0.060 0.000 1.258 375 G CA -0.583 44.403 45.100 -0.191 0.000 0.884 375 G HN 0.677 nan 8.290 nan 0.000 0.518 376 P HA 0.358 nan 4.420 nan 0.000 0.281 376 P C -0.199 177.169 177.300 0.114 0.000 1.281 376 P CA -0.748 62.421 63.100 0.115 0.000 0.811 376 P CB 1.490 33.311 31.700 0.202 0.000 1.154 377 I N 0.700 121.345 120.570 0.126 0.000 2.322 377 I HA 0.125 4.295 4.170 -0.000 0.000 0.292 377 I C 0.212 176.479 176.117 0.250 0.000 1.060 377 I CA -0.670 60.706 61.300 0.127 0.000 1.309 377 I CB 0.874 38.911 38.000 0.062 0.000 1.415 377 I HN -0.030 nan 8.210 nan 0.000 0.492 378 V N 7.541 127.582 119.914 0.212 0.000 2.465 378 V HA 0.410 4.530 4.120 -0.000 0.000 0.279 378 V C -0.220 176.035 176.094 0.268 0.000 1.045 378 V CA -0.261 62.174 62.300 0.225 0.000 0.938 378 V CB 0.875 32.781 31.823 0.138 0.000 0.986 378 V HN 0.799 nan 8.190 nan 0.000 0.467 379 W N 2.731 124.006 121.300 -0.042 0.000 2.988 379 W HA 0.854 5.514 4.660 -0.000 0.000 0.355 379 W C -0.236 176.226 176.519 -0.095 0.000 1.233 379 W CA -0.689 56.606 57.345 -0.083 0.000 1.176 379 W CB 1.294 30.670 29.460 -0.139 0.000 1.477 379 W HN 1.040 nan 8.180 nan 0.000 0.582 380 G N 0.860 109.635 108.800 -0.041 0.000 2.350 380 G HA2 0.362 4.322 3.960 -0.000 0.000 0.304 380 G HA3 0.362 4.322 3.960 -0.000 0.000 0.304 380 G C -2.434 172.551 174.900 0.142 0.000 1.421 380 G CA -0.832 44.150 45.100 -0.196 0.000 0.934 380 G HN 0.625 nan 8.290 nan 0.000 0.632 381 E N 0.070 120.435 120.200 0.275 0.000 2.356 381 E HA 0.718 5.068 4.350 -0.000 0.000 0.275 381 E C -2.555 174.123 176.600 0.130 0.000 0.904 381 E CA -1.688 54.869 56.400 0.262 0.000 0.757 381 E CB 3.107 33.039 29.700 0.387 0.000 1.232 381 E HN 0.403 nan 8.360 nan 0.000 0.442 382 P HA 0.176 nan 4.420 nan 0.000 0.275 382 P C 0.062 177.257 177.300 -0.176 0.000 1.227 382 P CA -0.300 62.804 63.100 0.006 0.000 0.781 382 P CB 0.716 32.470 31.700 0.091 0.000 0.906 383 G N 2.409 110.981 108.800 -0.381 0.000 2.093 383 G HA2 0.074 4.034 3.960 -0.000 0.000 0.257 383 G HA3 0.074 4.034 3.960 -0.000 0.000 0.257 383 G C 1.015 175.483 174.900 -0.720 0.000 1.004 383 G CA 0.970 45.430 45.100 -1.065 0.000 0.949 383 G HN 0.963 nan 8.290 nan 0.000 0.400 384 T N -0.189 113.903 114.554 -0.770 0.000 11.026 384 T HA -0.354 3.996 4.350 -0.000 0.000 0.370 384 T C 1.595 176.070 174.700 -0.375 0.000 1.769 384 T CA 1.536 63.358 62.100 -0.463 0.000 2.867 384 T CB -1.654 67.138 68.868 -0.126 0.000 2.395 384 T HN 0.569 nan 8.240 nan 0.000 0.767 385 N N 2.399 120.947 118.700 -0.254 0.000 2.025 385 N HA 0.072 4.812 4.740 -0.000 0.000 0.194 385 N C 2.286 177.609 175.510 -0.311 0.000 1.044 385 N CA 2.226 55.179 53.050 -0.162 0.000 0.851 385 N CB -1.383 37.050 38.487 -0.090 0.000 1.036 385 N HN 0.843 nan 8.380 nan 0.000 0.422 386 G N 0.646 109.209 108.800 -0.395 0.000 2.450 386 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.220 386 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.220 386 G C 1.383 175.588 174.900 -1.158 0.000 1.130 386 G CA 0.796 45.455 45.100 -0.735 0.000 0.760 386 G HN 0.429 nan 8.290 nan 0.000 0.557 387 Q N -0.379 118.670 119.800 -1.252 0.000 2.170 387 Q HA -0.149 4.191 4.340 -0.000 0.000 0.203 387 Q C 1.519 176.881 176.000 -1.064 0.000 0.976 387 Q CA 1.042 55.681 55.803 -1.940 0.000 0.858 387 Q CB -0.098 27.782 28.738 -1.430 0.000 0.907 387 Q HN 0.589 nan 8.270 nan 0.000 0.433 388 H N -1.499 117.277 119.070 -0.489 0.000 2.517 388 H HA 0.302 4.858 4.556 -0.000 0.000 0.282 388 H C 0.613 175.815 175.328 -0.210 0.000 1.023 388 H CA 0.635 56.524 56.048 -0.265 0.000 1.169 388 H CB 0.786 30.434 29.762 -0.191 0.000 1.454 388 H HN 0.377 nan 8.280 nan 0.000 0.556 389 A N 0.389 123.057 122.820 -0.254 0.000 2.042 389 A HA 0.123 4.443 4.320 -0.000 0.000 0.204 389 A C 1.104 178.698 177.584 0.017 0.000 1.712 389 A CA 0.150 52.107 52.037 -0.134 0.000 0.890 389 A CB -0.156 18.743 19.000 -0.168 0.000 1.176 389 A HN 0.209 nan 8.150 nan 0.000 0.573 390 F N -3.570 116.531 119.950 0.251 0.000 2.746 390 F HA 0.468 4.995 4.527 -0.000 0.000 0.320 390 F C 1.140 177.192 175.800 0.420 0.000 1.097 390 F CA -1.030 57.155 58.000 0.308 0.000 1.195 390 F CB -0.376 38.831 39.000 0.346 0.000 1.056 390 F HN 0.077 nan 8.300 nan 0.000 0.562 391 Y N 1.824 122.258 120.300 0.223 0.000 2.315 391 Y HA -0.215 4.335 4.550 -0.000 0.000 0.288 391 Y C 2.726 178.874 175.900 0.414 0.000 1.154 391 Y CA 1.582 59.907 58.100 0.375 0.000 1.229 391 Y CB -0.926 37.705 38.460 0.285 0.000 0.980 391 Y HN 0.325 nan 8.280 nan 0.000 0.540 392 Q N 0.657 120.705 119.800 0.414 0.000 2.096 392 Q HA -0.235 4.105 4.340 -0.000 0.000 0.208 392 Q C 2.203 178.355 176.000 0.252 0.000 0.993 392 Q CA 2.110 58.075 55.803 0.270 0.000 0.862 392 Q CB -0.860 27.982 28.738 0.173 0.000 0.915 392 Q HN 0.628 nan 8.270 nan 0.000 0.416 393 L N -0.754 120.628 121.223 0.265 0.000 2.156 393 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 393 L C 2.097 179.077 176.870 0.185 0.000 1.095 393 L CA 0.943 55.897 54.840 0.191 0.000 0.770 393 L CB -0.107 42.054 42.059 0.169 0.000 0.914 393 L HN 0.349 nan 8.230 nan 0.000 0.439 394 I N -0.960 119.757 120.570 0.244 0.000 2.394 394 I HA -0.275 3.895 4.170 -0.000 0.000 0.251 394 I C 2.022 178.155 176.117 0.027 0.000 1.136 394 I CA 1.097 62.462 61.300 0.108 0.000 1.425 394 I CB -0.355 37.645 38.000 0.001 0.000 1.079 394 I HN 0.342 nan 8.210 nan 0.000 0.425 395 H N 0.058 119.204 119.070 0.128 0.000 2.399 395 H HA 0.064 4.620 4.556 -0.000 0.000 0.300 395 H C 1.174 176.504 175.328 0.003 0.000 1.048 395 H CA 0.910 57.037 56.048 0.132 0.000 1.370 395 H CB 0.271 30.190 29.762 0.261 0.000 1.428 395 H HN 0.262 nan 8.280 nan 0.000 0.534 396 Q N 0.121 119.972 119.800 0.084 0.000 2.110 396 Q HA 0.242 4.582 4.340 -0.000 0.000 0.232 396 Q C 0.453 176.456 176.000 0.006 0.000 0.810 396 Q CA -0.259 55.521 55.803 -0.039 0.000 1.083 396 Q CB 1.960 30.598 28.738 -0.166 0.000 1.193 396 Q HN 0.321 nan 8.270 nan 0.000 0.471 397 G N 0.410 109.236 108.800 0.044 0.000 2.509 397 G HA2 0.164 4.124 3.960 -0.000 0.000 0.269 397 G HA3 0.164 4.124 3.960 -0.000 0.000 0.269 397 G C 0.847 175.763 174.900 0.026 0.000 1.416 397 G CA 0.249 45.372 45.100 0.039 0.000 1.052 397 G HN 0.203 nan 8.290 nan 0.000 0.542 398 T N -2.301 112.267 114.554 0.023 0.000 3.001 398 T HA 0.207 4.557 4.350 -0.000 0.000 0.251 398 T C 0.496 175.213 174.700 0.029 0.000 1.040 398 T CA 0.205 62.318 62.100 0.022 0.000 0.985 398 T CB 0.103 68.981 68.868 0.015 0.000 1.011 398 T HN 0.552 nan 8.240 nan 0.000 0.509 399 E N 1.617 121.834 120.200 0.028 0.000 2.222 399 E HA 0.443 4.793 4.350 -0.000 0.000 0.272 399 E C -0.896 175.728 176.600 0.040 0.000 0.982 399 E CA -1.070 55.351 56.400 0.035 0.000 0.842 399 E CB 1.692 31.405 29.700 0.021 0.000 1.144 399 E HN 0.314 nan 8.360 nan 0.000 0.397 400 M N 2.960 122.587 119.600 0.045 0.000 2.108 400 M HA 0.336 4.816 4.480 -0.000 0.000 0.354 400 M C -1.242 175.058 176.300 -0.002 0.000 1.229 400 M CA -0.338 54.970 55.300 0.014 0.000 1.081 400 M CB 0.153 32.772 32.600 0.032 0.000 1.606 400 M HN 0.504 nan 8.290 nan 0.000 0.467 401 I N 7.840 128.392 120.570 -0.030 0.000 2.466 401 I HA 0.369 4.539 4.170 -0.000 0.000 0.279 401 I C -2.292 173.755 176.117 -0.116 0.000 1.033 401 I CA -2.018 59.280 61.300 -0.004 0.000 1.123 401 I CB 1.311 39.375 38.000 0.107 0.000 1.237 401 I HN 0.472 nan 8.210 nan 0.000 0.460 402 P HA 0.074 nan 4.420 nan 0.000 0.267 402 P C -0.868 176.319 177.300 -0.188 0.000 1.205 402 P CA -0.021 62.941 63.100 -0.229 0.000 0.765 402 P CB 0.426 32.044 31.700 -0.137 0.000 0.828 403 C N 3.077 122.304 119.300 -0.123 0.000 2.455 403 C HA 0.396 4.855 4.460 -0.000 0.000 0.320 403 C C -0.292 174.725 174.990 0.045 0.000 1.226 403 C CA -0.357 58.574 59.018 -0.145 0.000 1.569 403 C CB 1.345 29.087 27.740 0.003 0.000 2.200 403 C HN 0.493 nan 8.230 nan 0.000 0.491 404 D N 1.858 122.219 120.400 -0.064 0.000 2.349 404 D HA 0.469 5.109 4.640 -0.000 0.000 0.232 404 D C -0.787 175.615 176.300 0.170 0.000 1.071 404 D CA 0.020 54.136 54.000 0.192 0.000 0.832 404 D CB 0.647 41.622 40.800 0.292 0.000 1.086 404 D HN 0.252 nan 8.370 nan 0.000 0.504 405 F N 2.316 122.354 119.950 0.147 0.000 2.415 405 F HA 0.439 4.966 4.527 -0.000 0.000 0.348 405 F C -0.022 176.086 175.800 0.514 0.000 1.119 405 F CA -0.679 57.444 58.000 0.205 0.000 1.069 405 F CB 0.803 39.647 39.000 -0.261 0.000 1.124 405 F HN 0.054 nan 8.300 nan 0.000 0.472 406 L N 4.935 126.586 121.223 0.714 0.000 2.354 406 L HA 0.745 5.085 4.340 -0.000 0.000 0.264 406 L C -0.798 176.258 176.870 0.311 0.000 1.008 406 L CA -0.635 54.549 54.840 0.573 0.000 0.819 406 L CB 2.454 44.819 42.059 0.511 0.000 1.339 406 L HN 0.580 nan 8.230 nan 0.000 0.420 407 I N 1.728 122.135 120.570 -0.272 0.000 2.763 407 I HA 0.406 4.576 4.170 -0.000 0.000 0.292 407 I C -2.935 172.478 176.117 -1.174 0.000 1.610 407 I CA -1.275 59.680 61.300 -0.575 0.000 1.002 407 I CB 3.285 40.764 38.000 -0.869 0.000 1.416 407 I HN 0.409 nan 8.210 nan 0.000 0.479 408 P HA 0.221 nan 4.420 nan 0.000 0.292 408 P C 0.335 177.532 177.300 -0.172 0.000 1.283 408 P CA -0.308 62.449 63.100 -0.572 0.000 0.835 408 P CB 2.387 34.104 31.700 0.028 0.000 1.017 409 V N 2.425 122.251 119.914 -0.145 0.000 2.358 409 V HA -0.178 3.942 4.120 -0.000 0.000 0.246 409 V C 1.271 177.442 176.094 0.129 0.000 1.047 409 V CA 1.808 64.104 62.300 -0.006 0.000 1.035 409 V CB -0.880 30.919 31.823 -0.039 0.000 0.658 409 V HN 0.590 nan 8.190 nan 0.000 0.452 410 Q N 0.002 119.813 119.800 0.019 0.000 2.290 410 Q HA 0.390 4.730 4.340 -0.000 0.000 0.259 410 Q C -0.079 175.785 176.000 -0.227 0.000 0.941 410 Q CA -0.117 55.640 55.803 -0.078 0.000 0.912 410 Q CB 1.839 30.562 28.738 -0.025 0.000 1.244 410 Q HN 0.346 nan 8.270 nan 0.000 0.441 411 T N 0.878 115.131 114.554 -0.502 0.000 2.913 411 T HA 0.057 4.407 4.350 -0.000 0.000 0.287 411 T C 0.956 175.534 174.700 -0.204 0.000 1.008 411 T CA -0.382 61.441 62.100 -0.463 0.000 1.067 411 T CB 0.883 69.360 68.868 -0.652 0.000 0.996 411 T HN 0.499 nan 8.240 nan 0.000 0.513 412 Q N 1.289 121.016 119.800 -0.122 0.000 2.435 412 Q HA 0.029 4.369 4.340 -0.000 0.000 0.207 412 Q C -0.067 175.615 176.000 -0.530 0.000 0.956 412 Q CA 0.973 56.624 55.803 -0.252 0.000 0.917 412 Q CB 0.123 28.768 28.738 -0.155 0.000 0.997 412 Q HN 0.641 nan 8.270 nan 0.000 0.497 413 H N 0.512 119.555 119.070 -0.044 0.000 2.607 413 H HA 0.191 4.747 4.556 -0.000 0.000 0.248 413 H C -2.102 173.178 175.328 -0.080 0.000 1.355 413 H CA -1.612 54.399 56.048 -0.061 0.000 1.524 413 H CB 1.191 30.912 29.762 -0.069 0.000 1.563 413 H HN 0.018 nan 8.280 nan 0.000 0.509 414 P HA 0.064 nan 4.420 nan 0.000 0.228 414 P C 0.726 178.036 177.300 0.017 0.000 1.748 414 P CA -0.141 62.958 63.100 -0.002 0.000 0.909 414 P CB -0.698 30.987 31.700 -0.025 0.000 1.882 415 I N -3.056 117.519 120.570 0.008 0.000 3.004 415 I HA 0.247 4.417 4.170 -0.000 0.000 0.287 415 I C 0.674 176.812 176.117 0.035 0.000 1.144 415 I CA -0.646 60.645 61.300 -0.015 0.000 1.353 415 I CB 0.134 38.069 38.000 -0.107 0.000 1.417 415 I HN -0.077 nan 8.210 nan 0.000 0.602 416 R N 1.769 122.293 120.500 0.040 0.000 3.525 416 R HA -0.173 4.167 4.340 -0.000 0.000 0.276 416 R C -0.181 176.162 176.300 0.071 0.000 1.116 416 R CA 0.650 56.797 56.100 0.077 0.000 0.745 416 R CB -1.781 28.616 30.300 0.163 0.000 1.185 416 R HN 0.891 nan 8.270 nan 0.000 0.454 417 K N -1.733 118.696 120.400 0.047 0.000 3.071 417 K HA -0.242 4.078 4.320 -0.000 0.000 0.265 417 K C 0.885 177.518 176.600 0.055 0.000 1.060 417 K CA 1.495 57.806 56.287 0.040 0.000 0.767 417 K CB -2.133 30.386 32.500 0.031 0.000 1.241 417 K HN 0.994 nan 8.250 nan 0.000 0.486 418 G N -0.093 108.752 108.800 0.075 0.000 2.143 418 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.248 418 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.248 418 G C 0.726 175.706 174.900 0.133 0.000 0.991 418 G CA 0.486 45.650 45.100 0.106 0.000 0.689 418 G HN 0.359 nan 8.290 nan 0.000 0.522 419 L N 0.018 121.323 121.223 0.137 0.000 2.046 419 L HA 0.076 4.416 4.340 -0.000 0.000 0.208 419 L C 2.425 179.355 176.870 0.101 0.000 1.077 419 L CA 3.098 58.000 54.840 0.103 0.000 0.747 419 L CB -0.619 41.493 42.059 0.089 0.000 0.896 419 L HN 0.412 nan 8.230 nan 0.000 0.432 420 H N -1.990 117.115 119.070 0.059 0.000 2.321 420 H HA -0.149 4.407 4.556 -0.000 0.000 0.300 420 H C 2.191 177.584 175.328 0.108 0.000 1.087 420 H CA 2.020 58.109 56.048 0.069 0.000 1.319 420 H CB -0.344 29.455 29.762 0.062 0.000 1.379 420 H HN 0.478 nan 8.280 nan 0.000 0.501 421 H N 0.670 119.829 119.070 0.148 0.000 2.421 421 H HA -0.064 4.492 4.556 -0.000 0.000 0.298 421 H C 2.223 177.581 175.328 0.051 0.000 1.087 421 H CA 1.563 57.661 56.048 0.084 0.000 1.330 421 H CB 0.138 29.934 29.762 0.056 0.000 1.388 421 H HN 0.258 nan 8.280 nan 0.000 0.526 422 K N 0.034 120.468 120.400 0.057 0.000 2.002 422 K HA -0.113 4.207 4.320 -0.000 0.000 0.209 422 K C 1.815 178.392 176.600 -0.039 0.000 1.048 422 K CA 1.615 57.894 56.287 -0.014 0.000 0.930 422 K CB -0.013 32.494 32.500 0.012 0.000 0.714 422 K HN 0.193 nan 8.250 nan 0.000 0.438 423 I N 1.590 122.149 120.570 -0.017 0.000 2.226 423 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 423 I C 2.491 178.617 176.117 0.014 0.000 1.100 423 I CA 0.852 62.144 61.300 -0.013 0.000 1.374 423 I CB -1.200 36.780 38.000 -0.034 0.000 1.057 423 I HN 0.276 nan 8.210 nan 0.000 0.413 424 L N 0.874 122.109 121.223 0.021 0.000 2.012 424 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 424 L C 2.480 179.374 176.870 0.041 0.000 1.073 424 L CA 1.806 56.695 54.840 0.082 0.000 0.748 424 L CB -0.645 41.457 42.059 0.071 0.000 0.891 424 L HN 0.101 nan 8.230 nan 0.000 0.431 425 L N -0.970 120.165 121.223 -0.147 0.000 2.046 425 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 425 L C 2.674 179.534 176.870 -0.016 0.000 1.077 425 L CA 1.262 56.013 54.840 -0.149 0.000 0.747 425 L CB -0.912 40.999 42.059 -0.248 0.000 0.896 425 L HN 0.377 nan 8.230 nan 0.000 0.432 426 A N 0.065 122.870 122.820 -0.025 0.000 1.917 426 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 426 A C 2.104 179.687 177.584 -0.001 0.000 1.182 426 A CA 2.106 54.133 52.037 -0.017 0.000 0.633 426 A CB -0.678 18.310 19.000 -0.020 0.000 0.819 426 A HN 0.502 nan 8.150 nan 0.000 0.448 427 N N -1.493 117.233 118.700 0.044 0.000 2.216 427 N HA -0.113 4.627 4.740 -0.000 0.000 0.183 427 N C 1.602 177.100 175.510 -0.021 0.000 1.017 427 N CA 1.442 54.539 53.050 0.077 0.000 0.861 427 N CB -0.322 38.284 38.487 0.199 0.000 0.986 427 N HN 0.582 nan 8.380 nan 0.000 0.428 428 F N 2.223 121.986 119.950 -0.312 0.000 2.095 428 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 428 F C 2.069 177.640 175.800 -0.382 0.000 1.104 428 F CA 1.223 58.826 58.000 -0.662 0.000 1.232 428 F CB -0.289 38.393 39.000 -0.530 0.000 0.987 428 F HN -0.099 nan 8.300 nan 0.000 0.475 429 L N -0.022 121.125 121.223 -0.126 0.000 2.044 429 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 429 L C 2.872 179.581 176.870 -0.269 0.000 1.075 429 L CA 1.080 55.798 54.840 -0.203 0.000 0.747 429 L CB -1.295 40.737 42.059 -0.045 0.000 0.903 429 L HN 0.215 nan 8.230 nan 0.000 0.435 430 A N -0.657 122.061 122.820 -0.171 0.000 1.940 430 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 430 A C 2.286 179.783 177.584 -0.145 0.000 1.176 430 A CA 1.367 53.320 52.037 -0.139 0.000 0.631 430 A CB -0.395 18.560 19.000 -0.075 0.000 0.814 430 A HN 0.399 nan 8.150 nan 0.000 0.446 431 Q N -0.339 119.373 119.800 -0.145 0.000 2.050 431 Q HA -0.149 4.190 4.340 -0.000 0.000 0.202 431 Q C 2.425 178.233 176.000 -0.321 0.000 0.980 431 Q CA 2.311 58.081 55.803 -0.055 0.000 0.840 431 Q CB -1.111 27.751 28.738 0.206 0.000 0.898 431 Q HN 0.884 nan 8.270 nan 0.000 0.424 432 T N -1.655 112.484 114.554 -0.691 0.000 2.867 432 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 432 T C 1.718 176.180 174.700 -0.396 0.000 1.057 432 T CA 1.290 62.961 62.100 -0.715 0.000 1.136 432 T CB -0.068 68.282 68.868 -0.863 0.000 0.874 432 T HN 0.329 nan 8.240 nan 0.000 0.466 433 E N 1.466 121.469 120.200 -0.329 0.000 2.051 433 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 433 E C 2.479 178.970 176.600 -0.181 0.000 0.991 433 E CA 1.015 57.264 56.400 -0.253 0.000 0.799 433 E CB -0.414 29.154 29.700 -0.220 0.000 0.748 433 E HN 0.630 nan 8.360 nan 0.000 0.449 434 A N 1.144 123.887 122.820 -0.129 0.000 1.877 434 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 434 A C 2.098 179.685 177.584 0.005 0.000 1.186 434 A CA 1.053 53.063 52.037 -0.046 0.000 0.620 434 A CB -0.620 18.414 19.000 0.057 0.000 0.822 434 A HN 0.294 nan 8.150 nan 0.000 0.443 435 L N -0.760 120.426 121.223 -0.062 0.000 2.081 435 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 435 L C 2.561 179.390 176.870 -0.069 0.000 1.080 435 L CA 2.352 57.119 54.840 -0.123 0.000 0.754 435 L CB -1.093 40.818 42.059 -0.247 0.000 0.893 435 L HN 0.649 nan 8.230 nan 0.000 0.433 436 M N -1.107 118.433 119.600 -0.100 0.000 2.115 436 M HA -0.169 4.311 4.480 -0.000 0.000 0.261 436 M C 2.459 178.740 176.300 -0.031 0.000 1.079 436 M CA 1.549 56.807 55.300 -0.070 0.000 1.143 436 M CB -0.077 32.436 32.600 -0.144 0.000 1.332 436 M HN 0.045 nan 8.290 nan 0.000 0.421 437 R N 0.387 120.850 120.500 -0.062 0.000 2.093 437 R HA 0.126 4.466 4.340 -0.000 0.000 0.224 437 R C 1.242 177.547 176.300 0.008 0.000 1.101 437 R CA 0.627 56.706 56.100 -0.035 0.000 0.979 437 R CB -0.412 29.843 30.300 -0.076 0.000 0.877 437 R HN 0.711 nan 8.270 nan 0.000 0.441 438 G N 1.418 110.230 108.800 0.019 0.000 2.641 438 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.254 438 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.254 438 G C -0.650 174.262 174.900 0.020 0.000 1.315 438 G CA 0.129 45.286 45.100 0.094 0.000 0.907 438 G HN 0.305 nan 8.290 nan 0.000 0.572 439 K N -0.373 120.094 120.400 0.112 0.000 2.553 439 K HA 0.567 4.887 4.320 -0.000 0.000 0.250 439 K C 0.454 177.126 176.600 0.121 0.000 0.953 439 K CA 0.039 56.366 56.287 0.066 0.000 0.800 439 K CB 1.317 33.822 32.500 0.008 0.000 1.243 439 K HN 1.241 nan 8.250 nan 0.000 0.435 440 S N 2.023 117.766 115.700 0.072 0.000 2.624 440 S HA 0.113 4.583 4.470 -0.000 0.000 0.263 440 S C 1.062 175.700 174.600 0.064 0.000 1.287 440 S CA -0.200 58.040 58.200 0.067 0.000 0.990 440 S CB 1.214 64.440 63.200 0.045 0.000 0.950 440 S HN 0.614 nan 8.310 nan 0.000 0.561 441 T N 0.849 115.434 114.554 0.051 0.000 2.684 441 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 441 T C 1.667 176.389 174.700 0.036 0.000 1.036 441 T CA 1.823 63.948 62.100 0.042 0.000 1.148 441 T CB -0.634 68.250 68.868 0.027 0.000 0.863 441 T HN 0.848 nan 8.240 nan 0.000 0.436 442 E N 0.985 121.203 120.200 0.029 0.000 2.085 442 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 442 E C 2.079 178.693 176.600 0.023 0.000 0.994 442 E CA 1.306 57.720 56.400 0.023 0.000 0.801 442 E CB -0.019 29.693 29.700 0.020 0.000 0.743 442 E HN 0.607 nan 8.360 nan 0.000 0.453 443 E N 0.058 120.273 120.200 0.025 0.000 2.106 443 E HA -0.147 4.202 4.350 -0.000 0.000 0.192 443 E C 2.060 178.675 176.600 0.024 0.000 0.984 443 E CA 0.775 57.185 56.400 0.018 0.000 0.806 443 E CB -0.107 29.600 29.700 0.013 0.000 0.750 443 E HN 0.352 nan 8.360 nan 0.000 0.458 444 A N 1.834 124.679 122.820 0.042 0.000 1.877 444 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 444 A C 2.138 179.747 177.584 0.041 0.000 1.186 444 A CA 1.585 53.654 52.037 0.054 0.000 0.620 444 A CB -0.492 18.558 19.000 0.082 0.000 0.822 444 A HN 0.097 nan 8.150 nan 0.000 0.443 445 R N 0.096 120.617 120.500 0.035 0.000 2.083 445 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 445 R C 2.095 178.407 176.300 0.021 0.000 1.137 445 R CA 1.999 58.115 56.100 0.027 0.000 0.951 445 R CB -0.310 30.003 30.300 0.023 0.000 0.851 445 R HN 0.533 nan 8.270 nan 0.000 0.434 446 K N 0.318 120.729 120.400 0.017 0.000 2.074 446 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 446 K C 2.120 178.726 176.600 0.010 0.000 1.048 446 K CA 2.142 58.435 56.287 0.011 0.000 0.926 446 K CB -0.150 32.354 32.500 0.007 0.000 0.713 446 K HN 0.397 nan 8.250 nan 0.000 0.444 447 E N 0.845 121.053 120.200 0.012 0.000 2.051 447 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 447 E C 2.112 178.721 176.600 0.015 0.000 0.991 447 E CA 1.028 57.435 56.400 0.011 0.000 0.799 447 E CB -0.113 29.595 29.700 0.013 0.000 0.748 447 E HN 0.242 nan 8.360 nan 0.000 0.449 448 L N 0.786 122.022 121.223 0.022 0.000 2.083 448 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 448 L C 2.528 179.408 176.870 0.017 0.000 1.083 448 L CA 1.222 56.076 54.840 0.023 0.000 0.752 448 L CB -0.386 41.691 42.059 0.030 0.000 0.899 448 L HN 0.181 nan 8.230 nan 0.000 0.433 449 Q N -0.154 119.655 119.800 0.014 0.000 2.046 449 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 449 Q C 2.379 178.384 176.000 0.008 0.000 0.975 449 Q CA 1.443 57.252 55.803 0.011 0.000 0.836 449 Q CB -0.270 28.474 28.738 0.010 0.000 0.896 449 Q HN 0.526 nan 8.270 nan 0.000 0.428 450 A N 0.786 123.610 122.820 0.006 0.000 2.172 450 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 450 A C 2.022 179.608 177.584 0.003 0.000 1.154 450 A CA 1.309 53.348 52.037 0.003 0.000 0.701 450 A CB -0.408 18.592 19.000 0.001 0.000 0.789 450 A HN 0.379 nan 8.150 nan 0.000 0.465 451 A N -1.624 121.199 122.820 0.006 0.000 1.859 451 A HA 0.440 4.759 4.320 -0.000 0.000 0.212 451 A C 1.832 179.419 177.584 0.005 0.000 1.238 451 A CA 1.684 53.724 52.037 0.006 0.000 0.613 451 A CB -0.464 18.542 19.000 0.009 0.000 0.904 451 A HN 1.522 nan 8.150 nan 0.000 0.457 452 G N -2.107 106.697 108.800 0.007 0.000 3.288 452 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.219 452 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.219 452 G C -0.081 174.824 174.900 0.008 0.000 0.944 452 G CA -0.153 44.951 45.100 0.007 0.000 0.854 452 G HN 0.221 nan 8.290 nan 0.000 0.632 453 K N 1.864 122.270 120.400 0.011 0.000 2.527 453 K HA 0.313 4.633 4.320 -0.000 0.000 0.278 453 K C 0.792 177.399 176.600 0.012 0.000 0.981 453 K CA 0.284 56.579 56.287 0.013 0.000 1.009 453 K CB 0.692 33.203 32.500 0.018 0.000 0.895 453 K HN 0.290 nan 8.250 nan 0.000 0.493 454 S N 3.879 119.587 115.700 0.012 0.000 2.593 454 S HA 0.094 4.564 4.470 -0.000 0.000 0.269 454 S C -1.470 173.138 174.600 0.013 0.000 1.334 454 S CA -1.194 57.013 58.200 0.011 0.000 1.015 454 S CB 0.704 63.910 63.200 0.010 0.000 0.912 454 S HN 0.348 nan 8.310 nan 0.000 0.541 455 P HA -0.121 nan 4.420 nan 0.000 0.219 455 P C 1.232 178.541 177.300 0.015 0.000 1.146 455 P CA 0.887 63.995 63.100 0.013 0.000 0.808 455 P CB 0.236 31.943 31.700 0.010 0.000 0.779 456 E N -0.269 119.939 120.200 0.014 0.000 2.016 456 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 456 E C 1.690 178.302 176.600 0.020 0.000 0.985 456 E CA 1.409 57.818 56.400 0.015 0.000 0.802 456 E CB -0.639 29.068 29.700 0.013 0.000 0.762 456 E HN 0.135 nan 8.360 nan 0.000 0.448 457 D N 0.650 121.062 120.400 0.019 0.000 2.078 457 D HA -0.200 4.440 4.640 -0.000 0.000 0.193 457 D C 2.215 178.534 176.300 0.032 0.000 0.990 457 D CA 1.073 55.087 54.000 0.024 0.000 0.827 457 D CB -0.725 40.086 40.800 0.019 0.000 0.975 457 D HN 0.212 nan 8.370 nan 0.000 0.451 458 L N 1.282 122.522 121.223 0.028 0.000 2.010 458 L HA -0.254 4.086 4.340 -0.000 0.000 0.219 458 L C 2.251 179.143 176.870 0.037 0.000 1.077 458 L CA 1.756 56.615 54.840 0.033 0.000 0.773 458 L CB -0.116 41.958 42.059 0.025 0.000 0.892 458 L HN -0.065 nan 8.230 nan 0.000 0.436 459 E N -0.277 119.941 120.200 0.031 0.000 2.204 459 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 459 E C 2.258 178.881 176.600 0.038 0.000 0.990 459 E CA 0.844 57.261 56.400 0.029 0.000 0.821 459 E CB -0.105 29.608 29.700 0.021 0.000 0.750 459 E HN 0.530 nan 8.360 nan 0.000 0.477 460 R N 0.064 120.594 120.500 0.051 0.000 2.100 460 R HA 0.021 4.361 4.340 -0.000 0.000 0.220 460 R C 2.318 178.703 176.300 0.142 0.000 1.091 460 R CA 0.279 56.425 56.100 0.077 0.000 0.986 460 R CB -0.822 29.516 30.300 0.064 0.000 0.888 460 R HN 0.151 nan 8.270 nan 0.000 0.444 461 L N 1.197 122.493 121.223 0.123 0.000 2.240 461 L HA 0.014 4.354 4.340 -0.000 0.000 0.211 461 L C 1.995 178.963 176.870 0.163 0.000 1.106 461 L CA 0.965 55.905 54.840 0.165 0.000 0.793 461 L CB -0.661 41.450 42.059 0.087 0.000 0.927 461 L HN 0.017 nan 8.230 nan 0.000 0.446 462 L N 1.560 122.839 121.223 0.092 0.000 1.976 462 L HA -0.184 4.156 4.340 -0.000 0.000 0.223 462 L C -0.524 176.365 176.870 0.032 0.000 1.081 462 L CA 2.768 57.644 54.840 0.059 0.000 0.784 462 L CB -2.003 40.077 42.059 0.035 0.000 0.896 462 L HN 0.282 nan 8.230 nan 0.000 0.438 463 P HA -0.197 nan 4.420 nan 0.000 0.221 463 P C 1.060 178.242 177.300 -0.197 0.000 1.145 463 P CA 1.749 64.767 63.100 -0.136 0.000 0.795 463 P CB -0.447 31.123 31.700 -0.216 0.000 0.775 464 H N 0.183 119.256 119.070 0.005 0.000 2.512 464 H HA 0.140 4.696 4.556 -0.000 0.000 0.279 464 H C 1.435 176.755 175.328 -0.012 0.000 0.999 464 H CA 0.792 56.832 56.048 -0.014 0.000 1.283 464 H CB 0.161 29.919 29.762 -0.006 0.000 1.421 464 H HN 0.304 nan 8.280 nan 0.000 0.554 465 K N 1.054 121.538 120.400 0.141 0.000 2.417 465 K HA 0.166 4.486 4.320 -0.000 0.000 0.196 465 K C 0.120 176.875 176.600 0.259 0.000 1.023 465 K CA -0.045 56.356 56.287 0.189 0.000 1.122 465 K CB 1.066 33.670 32.500 0.173 0.000 0.850 465 K HN -0.097 nan 8.250 nan 0.000 0.521 466 V N 1.990 121.986 119.914 0.138 0.000 2.465 466 V HA 0.202 4.322 4.120 -0.000 0.000 0.279 466 V C -0.423 175.766 176.094 0.158 0.000 1.045 466 V CA -0.396 62.014 62.300 0.183 0.000 0.938 466 V CB 0.476 32.344 31.823 0.075 0.000 0.986 466 V HN 0.009 nan 8.190 nan 0.000 0.467 467 F N 2.742 122.719 119.950 0.045 0.000 2.402 467 F HA 0.431 4.958 4.527 -0.000 0.000 0.355 467 F C 1.303 177.134 175.800 0.052 0.000 1.123 467 F CA -0.835 57.203 58.000 0.064 0.000 1.021 467 F CB 1.508 40.557 39.000 0.081 0.000 1.160 467 F HN 0.571 nan 8.300 nan 0.000 0.451 468 E N 2.196 122.494 120.200 0.163 0.000 2.274 468 E HA 0.088 4.438 4.350 -0.000 0.000 0.194 468 E C 1.640 178.315 176.600 0.125 0.000 0.996 468 E CA 0.523 56.992 56.400 0.116 0.000 0.840 468 E CB 0.013 29.755 29.700 0.070 0.000 0.772 468 E HN 0.942 nan 8.360 nan 0.000 0.491 469 G N 2.043 110.939 108.800 0.160 0.000 2.574 469 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.282 469 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.282 469 G C 0.281 175.226 174.900 0.075 0.000 1.257 469 G CA 0.315 45.486 45.100 0.118 0.000 0.956 469 G HN 0.376 nan 8.290 nan 0.000 0.560 470 N N -1.359 117.379 118.700 0.062 0.000 2.741 470 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 470 N C 0.238 175.772 175.510 0.039 0.000 1.115 470 N CA 1.886 54.978 53.050 0.070 0.000 0.724 470 N CB -0.678 37.866 38.487 0.094 0.000 1.090 470 N HN 0.846 nan 8.380 nan 0.000 0.558 471 R N 0.805 121.304 120.500 -0.002 0.000 2.198 471 R HA 0.336 4.676 4.340 -0.000 0.000 0.339 471 R C -2.142 174.114 176.300 -0.074 0.000 1.020 471 R CA -1.514 54.553 56.100 -0.055 0.000 0.864 471 R CB 0.967 31.219 30.300 -0.080 0.000 1.105 471 R HN 0.208 nan 8.270 nan 0.000 0.463 472 P HA 0.019 nan 4.420 nan 0.000 0.271 472 P C -0.631 176.635 177.300 -0.057 0.000 1.218 472 P CA -0.045 63.026 63.100 -0.049 0.000 0.780 472 P CB 1.407 33.076 31.700 -0.052 0.000 0.901 473 T N -0.813 113.756 114.554 0.025 0.000 2.843 473 T HA 0.454 4.804 4.350 -0.000 0.000 0.302 473 T C -0.731 174.062 174.700 0.155 0.000 1.232 473 T CA -0.922 61.218 62.100 0.068 0.000 1.009 473 T CB 1.336 70.166 68.868 -0.064 0.000 1.254 473 T HN 0.266 nan 8.240 nan 0.000 0.504 474 N N 0.454 119.294 118.700 0.233 0.000 2.314 474 N HA 0.646 5.386 4.740 -0.000 0.000 0.304 474 N C -1.289 174.392 175.510 0.286 0.000 1.073 474 N CA -0.628 52.594 53.050 0.286 0.000 0.822 474 N CB 2.231 40.920 38.487 0.335 0.000 1.280 474 N HN 0.644 nan 8.380 nan 0.000 0.489 475 S N 1.628 117.500 115.700 0.287 0.000 2.596 475 S HA 0.502 4.972 4.470 -0.000 0.000 0.318 475 S C -0.393 174.461 174.600 0.423 0.000 1.097 475 S CA -0.631 57.780 58.200 0.351 0.000 1.080 475 S CB 0.541 63.882 63.200 0.235 0.000 0.991 475 S HN 0.294 nan 8.310 nan 0.000 0.471 476 I N 4.248 125.111 120.570 0.488 0.000 2.330 476 I HA 0.394 4.564 4.170 -0.000 0.000 0.286 476 I C -0.396 175.917 176.117 0.326 0.000 1.025 476 I CA -0.646 60.908 61.300 0.423 0.000 1.197 476 I CB 0.830 39.110 38.000 0.466 0.000 1.358 476 I HN 0.233 nan 8.210 nan 0.000 0.467 477 V N 7.783 127.814 119.914 0.195 0.000 2.448 477 V HA 0.552 4.672 4.120 -0.000 0.000 0.295 477 V C -0.330 175.770 176.094 0.009 0.000 1.025 477 V CA -0.631 61.593 62.300 -0.127 0.000 0.859 477 V CB 1.441 33.206 31.823 -0.096 0.000 0.988 477 V HN 0.507 nan 8.190 nan 0.000 0.431 478 F N 0.430 120.401 119.950 0.035 0.000 2.577 478 F HA 0.630 5.157 4.527 -0.000 0.000 0.318 478 F C 1.256 177.082 175.800 0.043 0.000 1.065 478 F CA -0.863 57.169 58.000 0.052 0.000 0.929 478 F CB 1.002 40.035 39.000 0.054 0.000 1.237 478 F HN 0.311 nan 8.300 nan 0.000 0.468 479 T N -0.591 114.091 114.554 0.212 0.000 2.635 479 T HA -0.176 4.174 4.350 -0.000 0.000 0.267 479 T C 0.306 175.086 174.700 0.133 0.000 1.040 479 T CA 1.816 63.991 62.100 0.126 0.000 1.156 479 T CB -0.206 68.740 68.868 0.130 0.000 0.863 479 T HN 0.638 nan 8.240 nan 0.000 0.430 480 K N -0.068 120.475 120.400 0.237 0.000 2.557 480 K HA 0.315 4.635 4.320 -0.000 0.000 0.261 480 K C -1.845 174.938 176.600 0.305 0.000 0.932 480 K CA -0.739 55.679 56.287 0.218 0.000 0.829 480 K CB 1.485 34.062 32.500 0.129 0.000 1.358 480 K HN -0.082 nan 8.250 nan 0.000 0.430 481 L N 5.555 126.960 121.223 0.304 0.000 2.395 481 L HA 0.205 4.545 4.340 -0.000 0.000 0.268 481 L C -0.287 176.670 176.870 0.146 0.000 1.223 481 L CA 0.607 55.584 54.840 0.228 0.000 1.093 481 L CB -0.815 41.408 42.059 0.274 0.000 1.349 481 L HN 0.869 nan 8.230 nan 0.000 0.427 482 T N 0.955 115.558 114.554 0.082 0.000 2.897 482 T HA 0.466 4.816 4.350 -0.000 0.000 0.278 482 T C -1.814 172.775 174.700 -0.185 0.000 0.981 482 T CA -1.645 60.431 62.100 -0.040 0.000 0.973 482 T CB 1.325 70.202 68.868 0.016 0.000 1.092 482 T HN 0.153 nan 8.240 nan 0.000 0.543 483 P HA -0.015 nan 4.420 nan 0.000 0.215 483 P C 1.222 178.450 177.300 -0.120 0.000 1.153 483 P CA 0.743 63.663 63.100 -0.301 0.000 0.853 483 P CB -0.119 31.348 31.700 -0.388 0.000 0.788 484 F N -0.487 119.342 119.950 -0.202 0.000 2.102 484 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 484 F C 2.236 177.980 175.800 -0.093 0.000 1.105 484 F CA 1.505 59.421 58.000 -0.139 0.000 1.239 484 F CB -0.533 38.356 39.000 -0.186 0.000 0.991 484 F HN -0.201 nan 8.300 nan 0.000 0.474 485 M N 0.294 120.002 119.600 0.180 0.000 2.117 485 M HA -0.128 4.352 4.480 -0.000 0.000 0.262 485 M C 1.979 178.202 176.300 -0.129 0.000 1.065 485 M CA 1.562 56.886 55.300 0.040 0.000 1.114 485 M CB -0.932 31.691 32.600 0.038 0.000 1.361 485 M HN 0.331 nan 8.290 nan 0.000 0.408 486 L N -0.028 121.123 121.223 -0.120 0.000 2.083 486 L HA 0.035 4.375 4.340 -0.000 0.000 0.209 486 L C 2.163 179.035 176.870 0.002 0.000 1.083 486 L CA 2.288 57.066 54.840 -0.103 0.000 0.752 486 L CB -1.496 40.507 42.059 -0.094 0.000 0.899 486 L HN 0.394 nan 8.230 nan 0.000 0.433 487 G N -1.087 107.703 108.800 -0.017 0.000 2.422 487 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.218 487 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.218 487 G C 1.591 176.542 174.900 0.085 0.000 1.146 487 G CA 0.809 45.991 45.100 0.136 0.000 0.769 487 G HN 0.647 nan 8.290 nan 0.000 0.547 488 A N 0.532 123.302 122.820 -0.083 0.000 1.898 488 A HA 0.132 4.452 4.320 -0.000 0.000 0.216 488 A C 2.440 180.076 177.584 0.085 0.000 1.181 488 A CA 1.212 53.239 52.037 -0.017 0.000 0.620 488 A CB -0.377 18.578 19.000 -0.074 0.000 0.819 488 A HN 0.349 nan 8.150 nan 0.000 0.442 489 L N -0.509 120.756 121.223 0.069 0.000 2.017 489 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 489 L C 2.534 179.669 176.870 0.441 0.000 1.073 489 L CA 1.125 56.070 54.840 0.175 0.000 0.745 489 L CB -0.646 41.429 42.059 0.026 0.000 0.894 489 L HN 0.243 nan 8.230 nan 0.000 0.432 490 V N 0.167 120.385 119.914 0.507 0.000 2.295 490 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 490 V C 2.781 179.243 176.094 0.614 0.000 1.049 490 V CA 1.817 64.556 62.300 0.732 0.000 1.024 490 V CB -0.990 31.171 31.823 0.563 0.000 0.648 490 V HN 0.477 nan 8.190 nan 0.000 0.447 491 A N -0.450 122.590 122.820 0.366 0.000 1.933 491 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 491 A C 2.283 179.868 177.584 0.001 0.000 1.175 491 A CA 2.379 54.459 52.037 0.071 0.000 0.628 491 A CB -0.538 18.419 19.000 -0.072 0.000 0.814 491 A HN 0.539 nan 8.150 nan 0.000 0.444 492 M N -1.769 117.892 119.600 0.102 0.000 2.065 492 M HA -0.218 4.262 4.480 -0.000 0.000 0.259 492 M C 2.047 178.302 176.300 -0.075 0.000 1.069 492 M CA 2.067 57.372 55.300 0.009 0.000 1.110 492 M CB -0.317 32.255 32.600 -0.046 0.000 1.328 492 M HN 0.500 nan 8.290 nan 0.000 0.405 493 Y N 0.631 120.934 120.300 0.006 0.000 2.242 493 Y HA -0.201 4.349 4.550 -0.000 0.000 0.291 493 Y C 2.296 178.221 175.900 0.041 0.000 1.137 493 Y CA 1.769 59.780 58.100 -0.148 0.000 1.181 493 Y CB -0.292 37.686 38.460 -0.803 0.000 0.989 493 Y HN 0.375 nan 8.280 nan 0.000 0.527 494 E N -0.740 119.664 120.200 0.339 0.000 2.085 494 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 494 E C 1.683 178.438 176.600 0.258 0.000 0.994 494 E CA 1.756 58.379 56.400 0.372 0.000 0.801 494 E CB -0.313 29.557 29.700 0.284 0.000 0.743 494 E HN 0.708 nan 8.360 nan 0.000 0.453 495 H N -0.004 119.127 119.070 0.102 0.000 2.462 495 H HA -0.011 4.545 4.556 -0.000 0.000 0.292 495 H C 2.190 177.447 175.328 -0.119 0.000 1.049 495 H CA 0.841 56.796 56.048 -0.155 0.000 1.334 495 H CB 0.210 29.489 29.762 -0.804 0.000 1.404 495 H HN -0.009 nan 8.280 nan 0.000 0.544 496 K N 1.534 121.948 120.400 0.023 0.000 2.002 496 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 496 K C 1.913 178.540 176.600 0.045 0.000 1.048 496 K CA 1.549 57.824 56.287 -0.021 0.000 0.930 496 K CB -0.127 32.335 32.500 -0.062 0.000 0.714 496 K HN 0.237 nan 8.250 nan 0.000 0.438 497 I N 0.844 121.501 120.570 0.145 0.000 2.264 497 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 497 I C 2.349 178.593 176.117 0.211 0.000 1.111 497 I CA 1.090 62.498 61.300 0.181 0.000 1.382 497 I CB -0.326 37.834 38.000 0.267 0.000 1.060 497 I HN 0.210 nan 8.210 nan 0.000 0.418 498 F N 1.263 121.309 119.950 0.160 0.000 2.113 498 F HA -0.158 4.369 4.527 -0.000 0.000 0.297 498 F C 2.307 178.195 175.800 0.146 0.000 1.103 498 F CA 1.467 59.604 58.000 0.229 0.000 1.248 498 F CB -0.595 38.644 39.000 0.397 0.000 0.999 498 F HN -0.224 nan 8.300 nan 0.000 0.475 499 V N 0.804 120.666 119.914 -0.088 0.000 2.295 499 V HA -0.333 3.787 4.120 -0.000 0.000 0.246 499 V C 2.398 178.297 176.094 -0.325 0.000 1.049 499 V CA 2.329 64.487 62.300 -0.236 0.000 1.024 499 V CB -0.911 30.862 31.823 -0.084 0.000 0.648 499 V HN 0.406 nan 8.190 nan 0.000 0.447 500 Q N -0.012 119.587 119.800 -0.335 0.000 2.084 500 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 500 Q C 2.406 178.039 176.000 -0.611 0.000 0.978 500 Q CA 1.684 57.073 55.803 -0.691 0.000 0.844 500 Q CB -0.567 27.727 28.738 -0.740 0.000 0.898 500 Q HN 0.729 nan 8.270 nan 0.000 0.426 501 G N 1.291 109.992 108.800 -0.165 0.000 2.418 501 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 501 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 501 G C 1.402 176.309 174.900 0.013 0.000 1.158 501 G CA 0.536 45.688 45.100 0.087 0.000 0.771 501 G HN 0.159 nan 8.290 nan 0.000 0.545 502 I N 1.134 121.599 120.570 -0.176 0.000 2.226 502 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 502 I C 2.801 178.844 176.117 -0.124 0.000 1.100 502 I CA 0.892 62.096 61.300 -0.160 0.000 1.374 502 I CB -0.958 36.842 38.000 -0.334 0.000 1.057 502 I HN 0.192 nan 8.210 nan 0.000 0.413 503 I N -0.809 119.613 120.570 -0.246 0.000 2.286 503 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 503 I C 2.208 178.219 176.117 -0.177 0.000 1.115 503 I CA 1.117 62.250 61.300 -0.278 0.000 1.392 503 I CB -0.365 37.361 38.000 -0.455 0.000 1.065 503 I HN 0.307 nan 8.210 nan 0.000 0.418 504 W N 0.567 121.822 121.300 -0.075 0.000 2.937 504 W HA -0.021 4.639 4.660 -0.000 0.000 0.245 504 W C 0.775 177.338 176.519 0.073 0.000 1.306 504 W CA 0.538 57.877 57.345 -0.010 0.000 1.470 504 W CB -1.017 28.496 29.460 0.088 0.000 1.132 504 W HN 0.290 nan 8.180 nan 0.000 0.675 505 D N -0.054 120.484 120.400 0.230 0.000 2.907 505 D HA -0.200 4.440 4.640 -0.000 0.000 0.226 505 D C 0.039 176.491 176.300 0.253 0.000 1.141 505 D CA 0.926 55.038 54.000 0.188 0.000 0.779 505 D CB -1.336 39.548 40.800 0.140 0.000 1.095 505 D HN 0.256 nan 8.370 nan 0.000 0.430 506 I N -4.238 116.514 120.570 0.302 0.000 3.217 506 I HA 0.568 4.738 4.170 -0.000 0.000 0.308 506 I C 0.331 176.637 176.117 0.315 0.000 1.091 506 I CA -1.085 60.396 61.300 0.302 0.000 1.013 506 I CB 1.331 39.478 38.000 0.245 0.000 1.250 506 I HN -0.115 nan 8.210 nan 0.000 0.496 507 N N 1.384 120.204 118.700 0.202 0.000 2.527 507 N HA 0.257 4.997 4.740 -0.000 0.000 0.236 507 N C -0.062 175.432 175.510 -0.026 0.000 0.999 507 N CA -0.236 52.816 53.050 0.004 0.000 0.935 507 N CB 1.067 39.338 38.487 -0.359 0.000 1.132 507 N HN 0.629 nan 8.380 nan 0.000 0.511 508 S N 2.467 118.074 115.700 -0.155 0.000 2.603 508 S HA 0.076 4.546 4.470 -0.000 0.000 0.229 508 S C 0.417 174.589 174.600 -0.713 0.000 0.972 508 S CA 0.384 58.312 58.200 -0.453 0.000 0.935 508 S CB -0.258 62.555 63.200 -0.646 0.000 0.769 508 S HN 0.600 nan 8.310 nan 0.000 0.536 509 F N 1.174 121.207 119.950 0.138 0.000 2.688 509 F HA 0.296 4.823 4.527 -0.000 0.000 0.310 509 F C 0.470 176.293 175.800 0.038 0.000 1.098 509 F CA -0.964 57.116 58.000 0.132 0.000 1.228 509 F CB 0.275 39.343 39.000 0.114 0.000 1.042 509 F HN 0.078 nan 8.300 nan 0.000 0.557 510 D N -0.336 120.092 120.400 0.046 0.000 2.525 510 D HA 0.388 5.027 4.640 -0.000 0.000 0.249 510 D C -0.300 175.894 176.300 -0.177 0.000 1.072 510 D CA -0.699 53.226 54.000 -0.125 0.000 1.067 510 D CB 0.771 41.487 40.800 -0.140 0.000 1.282 510 D HN 0.023 nan 8.370 nan 0.000 0.587 511 Q N -0.516 119.048 119.800 -0.394 0.000 3.976 511 Q HA 0.126 4.465 4.340 -0.000 0.000 0.198 511 Q C -0.940 174.909 176.000 -0.251 0.000 0.817 511 Q CA -0.532 55.135 55.803 -0.226 0.000 0.819 511 Q CB -1.239 27.409 28.738 -0.149 0.000 1.556 511 Q HN 0.753 nan 8.270 nan 0.000 0.416 512 W N 0.942 122.273 121.300 0.052 0.000 2.595 512 W HA 0.158 4.818 4.660 -0.000 0.000 0.257 512 W C 1.925 178.475 176.519 0.051 0.000 1.267 512 W CA 0.814 58.191 57.345 0.054 0.000 1.300 512 W CB 0.283 29.780 29.460 0.062 0.000 1.120 512 W HN 0.638 nan 8.180 nan 0.000 0.618 513 G N 0.607 109.537 108.800 0.217 0.000 2.807 513 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.207 513 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.207 513 G C 1.202 176.153 174.900 0.084 0.000 1.151 513 G CA 1.139 46.324 45.100 0.142 0.000 0.800 513 G HN 0.310 nan 8.290 nan 0.000 0.523 514 V N -3.700 116.259 119.914 0.076 0.000 3.644 514 V HA 0.248 4.368 4.120 -0.000 0.000 0.267 514 V C 1.847 177.978 176.094 0.062 0.000 1.277 514 V CA 0.789 63.114 62.300 0.042 0.000 1.096 514 V CB 0.121 31.946 31.823 0.004 0.000 0.828 514 V HN 0.307 nan 8.190 nan 0.000 0.446 515 E N 0.886 121.152 120.200 0.111 0.000 2.051 515 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 515 E C 2.197 178.849 176.600 0.087 0.000 0.991 515 E CA 1.714 58.185 56.400 0.119 0.000 0.799 515 E CB -0.147 29.668 29.700 0.192 0.000 0.748 515 E HN 0.566 nan 8.360 nan 0.000 0.449 516 L N 0.736 122.008 121.223 0.082 0.000 1.971 516 L HA -0.203 4.137 4.340 -0.000 0.000 0.215 516 L C 2.526 179.423 176.870 0.045 0.000 1.072 516 L CA 1.887 56.763 54.840 0.060 0.000 0.758 516 L CB -0.929 41.161 42.059 0.051 0.000 0.889 516 L HN 0.253 nan 8.230 nan 0.000 0.433 517 G N -0.467 108.354 108.800 0.035 0.000 2.513 517 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.219 517 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.219 517 G C 1.659 176.573 174.900 0.024 0.000 1.160 517 G CA 1.260 46.374 45.100 0.022 0.000 0.767 517 G HN 0.379 nan 8.290 nan 0.000 0.571 518 K N 0.088 120.506 120.400 0.030 0.000 2.097 518 K HA -0.057 4.263 4.320 -0.000 0.000 0.205 518 K C 2.655 179.276 176.600 0.035 0.000 1.050 518 K CA 1.214 57.519 56.287 0.029 0.000 0.938 518 K CB -0.147 32.371 32.500 0.031 0.000 0.718 518 K HN 0.441 nan 8.250 nan 0.000 0.442 519 Q N 0.384 120.211 119.800 0.044 0.000 2.050 519 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 519 Q C 2.169 178.198 176.000 0.048 0.000 0.980 519 Q CA 1.525 57.357 55.803 0.047 0.000 0.840 519 Q CB -0.090 28.679 28.738 0.052 0.000 0.898 519 Q HN 0.335 nan 8.270 nan 0.000 0.424 520 L N 0.095 121.346 121.223 0.048 0.000 2.093 520 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 520 L C 2.515 179.412 176.870 0.046 0.000 1.085 520 L CA 0.818 55.692 54.840 0.057 0.000 0.755 520 L CB -0.652 41.434 42.059 0.046 0.000 0.904 520 L HN 0.216 nan 8.230 nan 0.000 0.435 521 A N -0.204 122.632 122.820 0.027 0.000 1.933 521 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 521 A C 2.337 179.937 177.584 0.027 0.000 1.175 521 A CA 1.304 53.351 52.037 0.017 0.000 0.628 521 A CB -0.266 18.740 19.000 0.010 0.000 0.814 521 A HN 0.183 nan 8.150 nan 0.000 0.444 522 K N 0.157 120.577 120.400 0.033 0.000 2.097 522 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 522 K C 1.819 178.445 176.600 0.044 0.000 1.049 522 K CA 1.531 57.839 56.287 0.034 0.000 0.933 522 K CB -0.241 32.278 32.500 0.033 0.000 0.717 522 K HN 0.539 nan 8.250 nan 0.000 0.442 523 K N 0.268 120.704 120.400 0.061 0.000 2.167 523 K HA 0.054 4.374 4.320 -0.000 0.000 0.203 523 K C 2.171 178.835 176.600 0.106 0.000 1.052 523 K CA 0.639 56.973 56.287 0.079 0.000 0.956 523 K CB 0.045 32.603 32.500 0.096 0.000 0.735 523 K HN 0.079 nan 8.250 nan 0.000 0.451 524 I N 1.044 121.674 120.570 0.100 0.000 2.406 524 I HA -0.191 3.979 4.170 -0.000 0.000 0.249 524 I C 1.979 178.127 176.117 0.051 0.000 1.122 524 I CA 0.933 62.283 61.300 0.084 0.000 1.431 524 I CB -0.171 37.824 38.000 -0.009 0.000 1.087 524 I HN 0.187 nan 8.210 nan 0.000 0.424 525 E N 1.363 121.584 120.200 0.035 0.000 2.068 525 E HA -0.255 4.095 4.350 -0.000 0.000 0.207 525 E C -0.628 175.988 176.600 0.027 0.000 1.032 525 E CA 2.125 58.540 56.400 0.025 0.000 0.839 525 E CB -1.148 28.565 29.700 0.021 0.000 0.758 525 E HN 0.440 nan 8.360 nan 0.000 0.457 526 P HA -0.142 nan 4.420 nan 0.000 0.226 526 P C 0.348 177.666 177.300 0.031 0.000 1.153 526 P CA 1.307 64.423 63.100 0.027 0.000 0.777 526 P CB 0.034 31.749 31.700 0.025 0.000 0.794 527 E N -0.220 120.007 120.200 0.046 0.000 2.358 527 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 527 E C 2.021 178.645 176.600 0.040 0.000 1.010 527 E CA 0.288 56.720 56.400 0.053 0.000 0.856 527 E CB -0.322 29.436 29.700 0.096 0.000 0.795 527 E HN 0.323 nan 8.360 nan 0.000 0.504 528 L N 1.173 122.413 121.223 0.029 0.000 2.313 528 L HA -0.029 4.311 4.340 -0.000 0.000 0.214 528 L C 0.328 177.205 176.870 0.011 0.000 1.119 528 L CA 0.268 55.118 54.840 0.018 0.000 0.809 528 L CB -0.275 41.791 42.059 0.012 0.000 0.933 528 L HN 0.005 nan 8.230 nan 0.000 0.449 529 D N 1.031 121.438 120.400 0.012 0.000 2.414 529 D HA 0.395 5.035 4.640 -0.000 0.000 0.242 529 D C 0.722 177.025 176.300 0.006 0.000 1.129 529 D CA 1.052 55.056 54.000 0.007 0.000 0.885 529 D CB 0.786 41.590 40.800 0.007 0.000 1.198 529 D HN 0.238 nan 8.370 nan 0.000 0.437 530 G N 0.971 109.771 108.800 0.001 0.000 2.814 530 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.677 530 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.677 530 G C 0.502 175.401 174.900 -0.001 0.000 1.429 530 G CA -0.013 45.087 45.100 0.000 0.000 0.868 530 G HN 0.696 nan 8.290 nan 0.000 0.553 531 S N -0.444 115.254 115.700 -0.003 0.000 2.577 531 S HA 0.615 5.085 4.470 -0.000 0.000 0.219 531 S C 1.203 175.804 174.600 0.001 0.000 0.962 531 S CA 1.196 59.393 58.200 -0.005 0.000 0.921 531 S CB 0.471 63.665 63.200 -0.011 0.000 0.789 531 S HN 2.261 nan 8.310 nan 0.000 0.497 532 A N 2.585 125.408 122.820 0.006 0.000 2.488 532 A HA 0.331 4.651 4.320 -0.000 0.000 0.249 532 A C 0.594 178.189 177.584 0.017 0.000 1.083 532 A CA -0.317 51.726 52.037 0.010 0.000 0.768 532 A CB 0.119 19.125 19.000 0.011 0.000 1.017 532 A HN 0.462 nan 8.150 nan 0.000 0.496 533 Q N 0.897 120.708 119.800 0.019 0.000 2.349 533 Q HA 0.172 4.512 4.340 -0.000 0.000 0.287 533 Q C -0.274 175.746 176.000 0.034 0.000 1.044 533 Q CA 0.318 56.137 55.803 0.027 0.000 0.918 533 Q CB 0.758 29.511 28.738 0.025 0.000 1.242 533 Q HN 0.458 nan 8.270 nan 0.000 0.405 534 V N 2.153 122.097 119.914 0.049 0.000 2.435 534 V HA 0.315 4.435 4.120 -0.000 0.000 0.290 534 V C 0.820 176.957 176.094 0.072 0.000 1.030 534 V CA -0.149 62.192 62.300 0.068 0.000 0.881 534 V CB 1.588 33.472 31.823 0.103 0.000 0.983 534 V HN 1.005 nan 8.190 nan 0.000 0.445 535 T N -1.828 112.757 114.554 0.051 0.000 3.275 535 T HA 0.034 4.384 4.350 -0.000 0.000 0.298 535 T C 1.129 175.829 174.700 0.001 0.000 0.988 535 T CA 0.393 62.515 62.100 0.036 0.000 0.936 535 T CB 0.138 69.017 68.868 0.018 0.000 1.159 535 T HN 0.628 nan 8.240 nan 0.000 0.519 536 S N 0.370 116.048 115.700 -0.037 0.000 2.603 536 S HA 0.175 4.645 4.470 -0.000 0.000 0.220 536 S C 0.611 174.974 174.600 -0.396 0.000 0.967 536 S CA -0.329 57.742 58.200 -0.214 0.000 0.920 536 S CB -0.463 62.559 63.200 -0.296 0.000 0.773 536 S HN 0.704 nan 8.310 nan 0.000 0.529 537 H N 1.291 120.366 119.070 0.008 0.000 2.995 537 H HA 0.386 4.942 4.556 -0.000 0.000 0.305 537 H C -0.713 174.619 175.328 0.006 0.000 1.510 537 H CA -0.582 55.470 56.048 0.007 0.000 1.376 537 H CB 0.206 29.973 29.762 0.008 0.000 1.918 537 H HN 0.363 nan 8.280 nan 0.000 0.709 538 D N -0.478 120.019 120.400 0.163 0.000 2.363 538 D HA 0.184 4.824 4.640 -0.000 0.000 0.240 538 D C 1.189 177.531 176.300 0.070 0.000 1.236 538 D CA 0.039 54.087 54.000 0.080 0.000 0.927 538 D CB 0.753 41.588 40.800 0.057 0.000 1.150 538 D HN 0.525 nan 8.370 nan 0.000 0.458 539 A N 0.701 123.545 122.820 0.040 0.000 1.908 539 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 539 A C 2.214 179.812 177.584 0.022 0.000 1.181 539 A CA 2.176 54.231 52.037 0.030 0.000 0.627 539 A CB -1.256 17.754 19.000 0.016 0.000 0.818 539 A HN 0.551 nan 8.150 nan 0.000 0.445 540 S N -1.165 114.542 115.700 0.011 0.000 2.343 540 S HA -0.151 4.318 4.470 -0.000 0.000 0.219 540 S C 2.116 176.711 174.600 -0.008 0.000 1.033 540 S CA 2.232 60.429 58.200 -0.006 0.000 1.014 540 S CB -0.784 62.407 63.200 -0.016 0.000 0.915 540 S HN 0.606 nan 8.310 nan 0.000 0.435 541 T N 2.460 117.006 114.554 -0.014 0.000 2.699 541 T HA -0.138 4.212 4.350 -0.000 0.000 0.268 541 T C 1.639 176.322 174.700 -0.029 0.000 1.036 541 T CA 1.889 63.951 62.100 -0.064 0.000 1.147 541 T CB -0.800 67.986 68.868 -0.137 0.000 0.862 541 T HN 0.568 nan 8.240 nan 0.000 0.446 542 N N 0.362 119.087 118.700 0.042 0.000 2.058 542 N HA -0.072 4.668 4.740 -0.000 0.000 0.191 542 N C 2.316 177.857 175.510 0.053 0.000 1.037 542 N CA 0.911 54.005 53.050 0.073 0.000 0.848 542 N CB -0.339 38.197 38.487 0.082 0.000 1.021 542 N HN 0.418 nan 8.380 nan 0.000 0.422 543 G N 1.382 110.206 108.800 0.040 0.000 2.442 543 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 543 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 543 G C 1.525 176.465 174.900 0.068 0.000 1.141 543 G CA 0.497 45.624 45.100 0.045 0.000 0.763 543 G HN 0.129 nan 8.290 nan 0.000 0.554 544 L N -0.006 121.241 121.223 0.039 0.000 2.056 544 L HA 0.029 4.369 4.340 -0.000 0.000 0.207 544 L C 2.833 179.769 176.870 0.109 0.000 1.078 544 L CA 0.635 55.512 54.840 0.062 0.000 0.749 544 L CB -0.286 41.778 42.059 0.009 0.000 0.901 544 L HN 0.192 nan 8.230 nan 0.000 0.433 545 I N -0.061 120.544 120.570 0.058 0.000 2.226 545 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 545 I C 2.067 178.225 176.117 0.068 0.000 1.100 545 I CA 1.046 62.376 61.300 0.050 0.000 1.374 545 I CB -0.404 37.613 38.000 0.029 0.000 1.057 545 I HN 0.358 nan 8.210 nan 0.000 0.413 546 N N 0.639 119.390 118.700 0.084 0.000 2.244 546 N HA -0.180 4.560 4.740 -0.000 0.000 0.183 546 N C 1.738 177.305 175.510 0.095 0.000 1.016 546 N CA 1.176 54.272 53.050 0.076 0.000 0.866 546 N CB -0.404 38.127 38.487 0.075 0.000 0.980 546 N HN 0.291 nan 8.380 nan 0.000 0.430 547 F N 1.779 121.727 119.950 -0.002 0.000 2.163 547 F HA 0.067 4.594 4.527 -0.000 0.000 0.297 547 F C 2.065 177.862 175.800 -0.004 0.000 1.094 547 F CA 0.751 58.749 58.000 -0.003 0.000 1.290 547 F CB -0.218 38.779 39.000 -0.006 0.000 1.017 547 F HN -0.125 nan 8.300 nan 0.000 0.483 548 I N 0.418 121.009 120.570 0.035 0.000 2.179 548 I HA -0.324 3.846 4.170 -0.000 0.000 0.242 548 I C 2.326 178.377 176.117 -0.109 0.000 1.088 548 I CA 1.486 62.755 61.300 -0.051 0.000 1.357 548 I CB -0.512 37.508 38.000 0.034 0.000 1.051 548 I HN 0.088 nan 8.210 nan 0.000 0.409 549 K N 0.262 120.625 120.400 -0.061 0.000 2.097 549 K HA -0.246 4.074 4.320 -0.000 0.000 0.206 549 K C 2.128 178.670 176.600 -0.098 0.000 1.049 549 K CA 1.326 57.578 56.287 -0.058 0.000 0.933 549 K CB -0.247 32.240 32.500 -0.022 0.000 0.717 549 K HN 0.416 nan 8.250 nan 0.000 0.442 550 Q N 0.836 120.553 119.800 -0.138 0.000 2.020 550 Q HA -0.183 4.156 4.340 -0.000 0.000 0.202 550 Q C 1.920 177.785 176.000 -0.226 0.000 0.982 550 Q CA 1.317 57.022 55.803 -0.163 0.000 0.838 550 Q CB 0.197 28.836 28.738 -0.166 0.000 0.899 550 Q HN 0.207 nan 8.270 nan 0.000 0.423 551 Q N 0.167 119.738 119.800 -0.383 0.000 2.435 551 Q HA -0.083 4.257 4.340 -0.000 0.000 0.207 551 Q C 1.803 177.686 176.000 -0.195 0.000 0.956 551 Q CA 0.661 56.254 55.803 -0.350 0.000 0.917 551 Q CB -0.126 28.267 28.738 -0.574 0.000 0.997 551 Q HN 0.358 nan 8.270 nan 0.000 0.497 552 R N 0.940 121.348 120.500 -0.154 0.000 2.139 552 R HA -0.199 4.141 4.340 -0.000 0.000 0.243 552 R C 1.323 177.581 176.300 -0.071 0.000 1.145 552 R CA 1.487 57.533 56.100 -0.091 0.000 0.976 552 R CB 0.301 30.560 30.300 -0.068 0.000 0.866 552 R HN 0.067 nan 8.270 nan 0.000 0.449 553 E N 0.232 120.387 120.200 -0.075 0.000 2.086 553 E HA 0.165 4.515 4.350 -0.000 0.000 0.190 553 E C 0.221 176.789 176.600 -0.052 0.000 0.975 553 E CA 0.753 57.120 56.400 -0.055 0.000 0.813 553 E CB -0.136 29.535 29.700 -0.049 0.000 0.768 553 E HN 0.425 nan 8.360 nan 0.000 0.457 554 A N 1.970 124.749 122.820 -0.068 0.000 2.616 554 A HA -0.104 4.216 4.320 -0.000 0.000 0.242 554 A C -0.239 177.322 177.584 -0.038 0.000 0.987 554 A CA 0.530 52.533 52.037 -0.056 0.000 0.800 554 A CB 0.073 19.027 19.000 -0.075 0.000 0.883 554 A HN -0.017 nan 8.150 nan 0.000 0.496 555 R N 1.926 122.410 120.500 -0.026 0.000 2.255 555 R HA 0.623 4.963 4.340 -0.000 0.000 0.326 555 R C -0.423 175.870 176.300 -0.012 0.000 0.986 555 R CA -0.521 55.568 56.100 -0.017 0.000 0.847 555 R CB 0.589 30.881 30.300 -0.013 0.000 1.111 555 R HN 0.446 nan 8.270 nan 0.000 0.452 556 V N 0.000 119.909 119.914 -0.009 0.000 2.409 556 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 556 V CA 0.000 62.298 62.300 -0.003 0.000 1.235 556 V CB 0.000 31.823 31.823 -0.001 0.000 1.184 556 V HN 0.000 nan 8.190 nan 0.000 0.556