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 2cvp_1_B DATA FIRST_RESID 1 DATA SEQUENCE MAALTRNPQF QKLLEWHRAN SANLKLRELF EADPERFNNF SLNLNTNHGH DATA SEQUENCE ILVDYSKNLV SKEVMQMLVE LAKSRGVEAA RDNMFSGSKI NYTEDRAVLH DATA SEQUENCE VALRNRSNTP IKVDGKDVMP EVNRVLDKMK SFCQRVRSGD WKGYTGKSIT DATA SEQUENCE DIINIGIGGS DLGPLMVTEA LKPYSKGGPR VWFVSNIDGT HIAKTLASLS DATA SEQUENCE PETSLFIIAS KTFTTQETIT NAETAKEWFL EAAKDPSAVA KHFVALSTNT DATA SEQUENCE AKVKEFGIDP QNMFEFWDWV GGRYSLWSAI GLSIALHVGF DHFEQLLSGA DATA SEQUENCE HWMDQHFLKT PLEKNAPVLL ALLGIWYINC YGCETHALLP YDQYMHRFAA DATA SEQUENCE YFQQGDMESN GKYITKSGAR VDHQTGPIVW GEPGTNGQHA FYQLIHQGTK DATA SEQUENCE MIPCDFLIPV QTQHPIRKGL HHKILLANFL AQTEALMKGK LPEEARKELQ DATA SEQUENCE AAGKSPEDLE KLLPHKVFEG NRPTNSIVFT KLTPFILGAL IAMYEHKIFV DATA SEQUENCE QGIMWDINSF DQWGVELGKQ LAKKIEPELE GSSAVTSHDS STNGLISFIK DATA SEQUENCE QQRDTKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.328 176.300 0.047 0.000 1.140 1 M CA 0.000 55.329 55.300 0.049 0.000 0.988 1 M CB 0.000 32.640 32.600 0.067 0.000 1.302 2 A N -0.375 122.489 122.820 0.073 0.000 2.486 2 A HA 0.925 5.247 4.320 0.003 0.000 0.289 2 A C 0.645 178.270 177.584 0.068 0.000 1.176 2 A CA 0.071 52.156 52.037 0.080 0.000 0.757 2 A CB 1.017 20.098 19.000 0.135 0.000 1.337 2 A HN 1.103 nan 8.150 nan 0.000 0.423 3 A N -0.509 122.348 122.820 0.062 0.000 1.892 3 A HA -0.086 4.236 4.320 0.003 0.000 0.218 3 A C 1.976 179.548 177.584 -0.020 0.000 1.188 3 A CA 2.251 54.304 52.037 0.026 0.000 0.631 3 A CB -0.871 18.145 19.000 0.028 0.000 0.822 3 A HN 1.466 nan 8.150 nan 0.000 0.447 4 L N 0.382 121.555 121.223 -0.083 0.000 2.017 4 L HA -0.128 4.214 4.340 0.003 0.000 0.208 4 L C 2.676 179.329 176.870 -0.362 0.000 1.073 4 L CA 3.065 57.714 54.840 -0.319 0.000 0.745 4 L CB -1.002 40.663 42.059 -0.658 0.000 0.894 4 L HN 0.560 nan 8.230 nan 0.000 0.432 5 T N -3.642 110.773 114.554 -0.233 0.000 2.995 5 T HA -0.103 4.249 4.350 0.003 0.000 0.269 5 T C 1.956 176.729 174.700 0.123 0.000 1.091 5 T CA 0.861 62.953 62.100 -0.015 0.000 1.128 5 T CB -0.427 68.497 68.868 0.093 0.000 0.891 5 T HN 0.322 nan 8.240 nan 0.000 0.492 6 R N 1.306 121.847 120.500 0.068 0.000 2.299 6 R HA 0.189 4.531 4.340 0.003 0.000 0.197 6 R C 0.852 177.200 176.300 0.079 0.000 0.971 6 R CA -0.097 56.047 56.100 0.074 0.000 1.030 6 R CB -0.055 30.274 30.300 0.048 0.000 0.932 6 R HN 0.358 nan 8.270 nan 0.000 0.477 7 N N 1.633 120.386 118.700 0.087 0.000 2.470 7 N HA 0.009 4.751 4.740 0.003 0.000 0.268 7 N C -1.821 173.775 175.510 0.143 0.000 1.136 7 N CA -1.436 51.672 53.050 0.095 0.000 0.961 7 N CB 1.453 39.984 38.487 0.074 0.000 1.067 7 N HN -0.089 nan 8.380 nan 0.000 0.468 8 P HA -0.058 nan 4.420 nan 0.000 0.222 8 P C 0.588 177.935 177.300 0.079 0.000 1.153 8 P CA 1.052 64.201 63.100 0.083 0.000 0.798 8 P CB 0.594 32.325 31.700 0.052 0.000 0.796 9 Q N -1.073 118.775 119.800 0.079 0.000 2.167 9 Q HA -0.066 4.276 4.340 0.003 0.000 0.202 9 Q C 1.927 177.984 176.000 0.096 0.000 0.970 9 Q CA 1.155 56.995 55.803 0.062 0.000 0.855 9 Q CB -1.209 27.553 28.738 0.040 0.000 0.911 9 Q HN 0.245 nan 8.270 nan 0.000 0.438 10 F N 0.972 120.932 119.950 0.016 0.000 2.163 10 F HA -0.162 4.366 4.527 0.003 0.000 0.297 10 F C 1.902 177.737 175.800 0.059 0.000 1.094 10 F CA 1.364 59.384 58.000 0.033 0.000 1.290 10 F CB -0.030 38.978 39.000 0.014 0.000 1.017 10 F HN 0.038 nan 8.300 nan 0.000 0.483 11 Q N 0.320 120.163 119.800 0.073 0.000 2.096 11 Q HA -0.275 4.067 4.340 0.003 0.000 0.204 11 Q C 2.288 178.261 176.000 -0.045 0.000 0.982 11 Q CA 2.074 57.875 55.803 -0.003 0.000 0.850 11 Q CB -0.356 28.434 28.738 0.087 0.000 0.901 11 Q HN 0.422 nan 8.270 nan 0.000 0.422 12 K N 0.503 120.902 120.400 -0.002 0.000 2.057 12 K HA -0.192 4.130 4.320 0.003 0.000 0.207 12 K C 2.038 178.671 176.600 0.056 0.000 1.049 12 K CA 0.930 57.237 56.287 0.034 0.000 0.931 12 K CB -0.095 32.427 32.500 0.036 0.000 0.714 12 K HN 0.092 nan 8.250 nan 0.000 0.440 13 L N 1.222 122.431 121.223 -0.023 0.000 2.017 13 L HA -0.161 4.181 4.340 0.003 0.000 0.208 13 L C 2.141 179.068 176.870 0.095 0.000 1.073 13 L CA 1.337 56.196 54.840 0.031 0.000 0.745 13 L CB -0.637 41.397 42.059 -0.042 0.000 0.894 13 L HN 0.210 nan 8.230 nan 0.000 0.432 14 L N -0.111 120.988 121.223 -0.206 0.000 2.012 14 L HA -0.240 4.101 4.340 0.003 0.000 0.210 14 L C 2.568 179.453 176.870 0.025 0.000 1.073 14 L CA 2.168 56.893 54.840 -0.192 0.000 0.748 14 L CB -0.887 40.930 42.059 -0.404 0.000 0.891 14 L HN 0.563 nan 8.230 nan 0.000 0.431 15 E N -1.792 118.431 120.200 0.038 0.000 2.077 15 E HA -0.315 4.037 4.350 0.003 0.000 0.193 15 E C 2.166 178.847 176.600 0.133 0.000 0.989 15 E CA 1.592 58.035 56.400 0.071 0.000 0.800 15 E CB -0.490 29.245 29.700 0.059 0.000 0.746 15 E HN 0.603 nan 8.360 nan 0.000 0.452 16 W N 1.177 122.500 121.300 0.039 0.000 2.358 16 W HA -0.213 4.449 4.660 0.002 0.000 0.303 16 W C 2.418 179.006 176.519 0.114 0.000 1.208 16 W CA 2.013 59.401 57.345 0.072 0.000 1.274 16 W CB -0.371 29.138 29.460 0.082 0.000 1.138 16 W HN 0.258 nan 8.180 nan 0.000 0.515 17 H N 0.648 119.998 119.070 0.466 0.000 2.290 17 H HA -0.166 4.391 4.556 0.003 0.000 0.298 17 H C 2.267 177.559 175.328 -0.061 0.000 1.087 17 H CA 2.328 58.516 56.048 0.232 0.000 1.291 17 H CB -0.201 29.532 29.762 -0.049 0.000 1.369 17 H HN 0.140 nan 8.280 nan 0.000 0.492 18 R N -0.072 120.450 120.500 0.036 0.000 2.103 18 R HA -0.125 4.217 4.340 0.003 0.000 0.242 18 R C 2.517 178.723 176.300 -0.157 0.000 1.142 18 R CA 1.331 57.399 56.100 -0.054 0.000 0.960 18 R CB -0.269 30.029 30.300 -0.003 0.000 0.858 18 R HN 0.347 nan 8.270 nan 0.000 0.439 19 A N 0.430 123.135 122.820 -0.193 0.000 1.970 19 A HA -0.029 4.293 4.320 0.003 0.000 0.216 19 A C 1.481 178.841 177.584 -0.374 0.000 1.170 19 A CA 0.980 52.866 52.037 -0.253 0.000 0.645 19 A CB 0.085 18.937 19.000 -0.247 0.000 0.816 19 A HN 0.267 nan 8.150 nan 0.000 0.447 20 N N -1.098 117.262 118.700 -0.567 0.000 2.239 20 N HA -0.041 4.701 4.740 0.003 0.000 0.208 20 N C 1.697 176.935 175.510 -0.453 0.000 1.200 20 N CA 1.037 53.651 53.050 -0.727 0.000 0.895 20 N CB 0.197 37.689 38.487 -1.657 0.000 1.085 20 N HN 0.518 nan 8.380 nan 0.000 0.500 21 S N 1.278 116.758 115.700 -0.368 0.000 2.399 21 S HA -0.060 4.412 4.470 0.003 0.000 0.231 21 S C 2.139 176.706 174.600 -0.054 0.000 1.022 21 S CA 1.041 59.138 58.200 -0.173 0.000 0.983 21 S CB -0.236 62.484 63.200 -0.799 0.000 0.803 21 S HN 0.250 nan 8.310 nan 0.000 0.480 22 A N 2.542 125.286 122.820 -0.127 0.000 2.024 22 A HA -0.114 4.208 4.320 0.003 0.000 0.220 22 A C 2.008 179.590 177.584 -0.004 0.000 1.164 22 A CA 1.603 53.613 52.037 -0.044 0.000 0.643 22 A CB -1.057 17.901 19.000 -0.070 0.000 0.806 22 A HN 0.799 nan 8.150 nan 0.000 0.451 23 N N -0.751 117.932 118.700 -0.030 0.000 2.494 23 N HA 0.106 4.848 4.740 0.003 0.000 0.182 23 N C -0.310 175.245 175.510 0.074 0.000 1.076 23 N CA -0.163 52.889 53.050 0.003 0.000 0.908 23 N CB -0.074 38.388 38.487 -0.041 0.000 0.967 23 N HN 0.386 nan 8.380 nan 0.000 0.449 24 L N 1.750 123.054 121.223 0.136 0.000 2.325 24 L HA 0.211 4.553 4.340 0.003 0.000 0.284 24 L C -0.266 176.707 176.870 0.172 0.000 1.089 24 L CA 0.207 55.170 54.840 0.206 0.000 0.836 24 L CB 0.525 42.795 42.059 0.353 0.000 1.184 24 L HN -0.069 nan 8.230 nan 0.000 0.444 25 K N 3.671 124.152 120.400 0.136 0.000 2.545 25 K HA 0.311 4.633 4.320 0.003 0.000 0.252 25 K C 0.577 177.253 176.600 0.127 0.000 0.948 25 K CA -0.586 55.773 56.287 0.120 0.000 0.827 25 K CB 2.211 34.765 32.500 0.091 0.000 1.128 25 K HN 0.450 nan 8.250 nan 0.000 0.429 26 L N 1.824 123.135 121.223 0.146 0.000 2.043 26 L HA -0.247 4.095 4.340 0.003 0.000 0.212 26 L C 2.337 179.359 176.870 0.253 0.000 1.075 26 L CA 1.621 56.584 54.840 0.206 0.000 0.752 26 L CB -0.279 41.899 42.059 0.199 0.000 0.891 26 L HN 0.615 nan 8.230 nan 0.000 0.432 27 R N -0.066 120.526 120.500 0.153 0.000 2.096 27 R HA -0.214 4.128 4.340 0.003 0.000 0.240 27 R C 2.226 178.609 176.300 0.139 0.000 1.139 27 R CA 1.952 58.125 56.100 0.122 0.000 0.952 27 R CB -0.291 30.050 30.300 0.068 0.000 0.854 27 R HN 0.496 nan 8.270 nan 0.000 0.436 28 E N 0.305 120.570 120.200 0.108 0.000 2.106 28 E HA -0.158 4.194 4.350 0.003 0.000 0.192 28 E C 2.138 178.782 176.600 0.073 0.000 0.984 28 E CA 0.886 57.335 56.400 0.082 0.000 0.806 28 E CB -0.063 29.677 29.700 0.066 0.000 0.750 28 E HN 0.299 nan 8.360 nan 0.000 0.458 29 L N -0.153 121.108 121.223 0.063 0.000 2.046 29 L HA -0.179 4.163 4.340 0.003 0.000 0.208 29 L C 2.237 179.039 176.870 -0.114 0.000 1.077 29 L CA 1.168 55.977 54.840 -0.051 0.000 0.747 29 L CB -0.323 41.655 42.059 -0.134 0.000 0.896 29 L HN 0.102 nan 8.230 nan 0.000 0.432 30 F N -0.351 119.587 119.950 -0.020 0.000 2.293 30 F HA -0.111 4.420 4.527 0.007 0.000 0.297 30 F C 2.677 178.478 175.800 0.003 0.000 1.089 30 F CA 0.854 58.847 58.000 -0.012 0.000 1.377 30 F CB -0.087 38.904 39.000 -0.015 0.000 1.051 30 F HN -0.002 nan 8.300 nan 0.000 0.511 31 E N 0.117 120.421 120.200 0.174 0.000 2.106 31 E HA -0.127 4.225 4.350 0.003 0.000 0.192 31 E C 2.333 178.973 176.600 0.068 0.000 0.984 31 E CA 1.065 57.527 56.400 0.104 0.000 0.806 31 E CB -0.394 29.353 29.700 0.078 0.000 0.750 31 E HN 0.325 nan 8.360 nan 0.000 0.458 32 A N 0.693 123.543 122.820 0.050 0.000 2.119 32 A HA -0.088 4.234 4.320 0.003 0.000 0.216 32 A C 0.525 178.125 177.584 0.026 0.000 1.152 32 A CA 0.808 52.864 52.037 0.032 0.000 0.708 32 A CB 0.181 19.196 19.000 0.024 0.000 0.805 32 A HN 0.045 nan 8.150 nan 0.000 0.460 33 D N -1.709 118.703 120.400 0.020 0.000 2.328 33 D HA 0.260 4.902 4.640 0.003 0.000 0.243 33 D C -2.197 174.127 176.300 0.040 0.000 1.324 33 D CA -1.422 52.588 54.000 0.016 0.000 0.966 33 D CB 1.394 42.184 40.800 -0.015 0.000 1.324 33 D HN -0.038 nan 8.370 nan 0.000 0.549 34 P HA -0.037 nan 4.420 nan 0.000 0.230 34 P C 0.485 177.850 177.300 0.108 0.000 1.158 34 P CA 0.515 63.672 63.100 0.094 0.000 0.769 34 P CB 0.543 32.286 31.700 0.072 0.000 0.807 35 E N -0.215 120.036 120.200 0.086 0.000 2.476 35 E HA 0.001 4.353 4.350 0.003 0.000 0.191 35 E C 1.891 178.558 176.600 0.113 0.000 1.064 35 E CA -0.089 56.368 56.400 0.094 0.000 0.866 35 E CB -0.187 29.549 29.700 0.060 0.000 0.952 35 E HN 0.320 nan 8.360 nan 0.000 0.492 36 R N 0.238 120.792 120.500 0.090 0.000 2.083 36 R HA -0.176 4.165 4.340 0.003 0.000 0.237 36 R C 2.125 178.511 176.300 0.144 0.000 1.137 36 R CA 1.393 57.509 56.100 0.026 0.000 0.951 36 R CB -0.374 29.668 30.300 -0.430 0.000 0.851 36 R HN 0.166 nan 8.270 nan 0.000 0.434 37 F N 1.862 121.863 119.950 0.086 0.000 2.126 37 F HA -0.203 4.326 4.527 0.004 0.000 0.299 37 F C 1.735 177.571 175.800 0.060 0.000 1.096 37 F CA 1.734 59.800 58.000 0.111 0.000 1.255 37 F CB -0.405 38.684 39.000 0.149 0.000 0.997 37 F HN 0.095 nan 8.300 nan 0.000 0.479 38 N N 0.931 119.618 118.700 -0.020 0.000 2.149 38 N HA -0.192 4.550 4.740 0.003 0.000 0.188 38 N C 1.250 176.636 175.510 -0.206 0.000 1.019 38 N CA 1.518 54.480 53.050 -0.147 0.000 0.857 38 N CB -0.644 37.856 38.487 0.022 0.000 0.997 38 N HN 0.400 nan 8.380 nan 0.000 0.426 39 N N -0.505 118.116 118.700 -0.131 0.000 2.422 39 N HA 0.035 4.777 4.740 0.003 0.000 0.181 39 N C -0.204 174.965 175.510 -0.569 0.000 1.080 39 N CA 0.308 53.193 53.050 -0.276 0.000 0.893 39 N CB 0.130 38.481 38.487 -0.227 0.000 0.973 39 N HN 0.189 nan 8.380 nan 0.000 0.456 40 F N 0.300 119.989 119.950 -0.434 0.000 2.818 40 F HA 0.311 4.841 4.527 0.005 0.000 0.369 40 F C 0.218 175.233 175.800 -1.309 0.000 1.327 40 F CA -0.661 56.822 58.000 -0.862 0.000 1.211 40 F CB 0.299 38.917 39.000 -0.636 0.000 1.036 40 F HN -0.213 nan 8.300 nan 0.000 0.510 41 S N -0.110 115.176 115.700 -0.690 0.000 2.570 41 S HA 0.827 5.299 4.470 0.003 0.000 0.270 41 S C -1.384 173.136 174.600 -0.133 0.000 1.149 41 S CA -0.806 57.123 58.200 -0.452 0.000 0.837 41 S CB 2.052 64.814 63.200 -0.730 0.000 1.124 41 S HN 0.120 nan 8.310 nan 0.000 0.465 42 L N 2.382 123.637 121.223 0.053 0.000 2.372 42 L HA 0.528 4.870 4.340 0.003 0.000 0.274 42 L C -0.731 176.203 176.870 0.107 0.000 0.988 42 L CA -0.690 54.215 54.840 0.108 0.000 0.833 42 L CB 1.837 44.012 42.059 0.194 0.000 1.236 42 L HN 0.759 nan 8.230 nan 0.000 0.410 43 N N 5.210 123.970 118.700 0.099 0.000 2.589 43 N HA 0.343 5.084 4.740 0.003 0.000 0.232 43 N C -1.007 174.593 175.510 0.150 0.000 1.015 43 N CA -0.308 52.834 53.050 0.152 0.000 0.931 43 N CB 0.586 39.175 38.487 0.170 0.000 1.150 43 N HN 0.504 nan 8.380 nan 0.000 0.512 44 L N 2.312 123.606 121.223 0.118 0.000 2.290 44 L HA 0.315 4.657 4.340 0.003 0.000 0.284 44 L C 0.619 177.403 176.870 -0.144 0.000 1.078 44 L CA -0.682 54.202 54.840 0.074 0.000 0.815 44 L CB 0.542 42.653 42.059 0.087 0.000 1.162 44 L HN 0.373 nan 8.230 nan 0.000 0.435 45 N N 1.444 120.026 118.700 -0.198 0.000 2.457 45 N HA 0.121 4.862 4.740 0.003 0.000 0.250 45 N C 0.748 176.060 175.510 -0.331 0.000 0.982 45 N CA -0.356 52.353 53.050 -0.569 0.000 0.941 45 N CB 1.440 39.635 38.487 -0.486 0.000 1.120 45 N HN 0.668 nan 8.380 nan 0.000 0.505 46 T N 0.556 114.743 114.554 -0.612 0.000 3.100 46 T HA 0.057 4.409 4.350 0.003 0.000 0.253 46 T C 0.860 175.301 174.700 -0.431 0.000 1.118 46 T CA 0.234 61.796 62.100 -0.896 0.000 1.058 46 T CB -0.192 68.083 68.868 -0.989 0.000 0.953 46 T HN 0.590 nan 8.240 nan 0.000 0.515 47 N N 0.981 119.455 118.700 -0.377 0.000 2.936 47 N HA -0.200 4.542 4.740 0.003 0.000 0.236 47 N C -0.317 174.701 175.510 -0.821 0.000 0.930 47 N CA 1.541 54.317 53.050 -0.456 0.000 0.966 47 N CB -1.684 36.582 38.487 -0.369 0.000 1.090 47 N HN 0.747 nan 8.380 nan 0.000 0.592 48 H N -1.057 117.720 119.070 -0.487 0.000 2.651 48 H HA 0.576 5.134 4.556 0.003 0.000 0.241 48 H C 1.000 176.139 175.328 -0.315 0.000 1.225 48 H CA 0.442 56.157 56.048 -0.555 0.000 0.942 48 H CB 0.248 29.251 29.762 -1.266 0.000 1.996 48 H HN 0.487 nan 8.280 nan 0.000 0.600 49 G N 0.583 109.318 108.800 -0.109 0.000 2.459 49 G HA2 -0.110 3.852 3.960 0.003 0.000 0.685 49 G HA3 -0.110 3.852 3.960 0.003 0.000 0.685 49 G C -1.740 173.179 174.900 0.032 0.000 1.303 49 G CA -1.108 44.024 45.100 0.053 0.000 0.907 49 G HN 0.327 nan 8.290 nan 0.000 0.632 50 H N -0.949 118.118 119.070 -0.006 0.000 2.499 50 H HA 0.751 5.309 4.556 0.003 0.000 0.340 50 H C 0.333 175.703 175.328 0.070 0.000 1.148 50 H CA -0.441 55.610 56.048 0.005 0.000 1.215 50 H CB 1.508 31.289 29.762 0.031 0.000 1.529 50 H HN 0.545 nan 8.280 nan 0.000 0.510 51 I N 3.255 123.908 120.570 0.138 0.000 2.382 51 I HA 0.125 4.297 4.170 0.003 0.000 0.286 51 I C -0.946 175.287 176.117 0.193 0.000 1.002 51 I CA -0.823 60.590 61.300 0.188 0.000 1.135 51 I CB 1.384 39.440 38.000 0.094 0.000 1.288 51 I HN 0.196 nan 8.210 nan 0.000 0.448 52 L N 8.791 130.155 121.223 0.234 0.000 2.257 52 L HA 0.458 4.800 4.340 0.003 0.000 0.290 52 L C -0.594 176.422 176.870 0.244 0.000 1.044 52 L CA -0.147 54.828 54.840 0.225 0.000 0.810 52 L CB 1.270 43.474 42.059 0.241 0.000 1.193 52 L HN 0.325 nan 8.230 nan 0.000 0.425 53 V N 4.869 124.916 119.914 0.222 0.000 2.304 53 V HA 0.269 4.391 4.120 0.003 0.000 0.269 53 V C -0.381 175.883 176.094 0.283 0.000 1.036 53 V CA -0.555 61.902 62.300 0.261 0.000 0.840 53 V CB 0.828 32.790 31.823 0.232 0.000 1.036 53 V HN 0.712 nan 8.190 nan 0.000 0.466 54 D N 4.296 124.871 120.400 0.292 0.000 2.428 54 D HA 0.197 4.839 4.640 0.003 0.000 0.221 54 D C 0.269 176.739 176.300 0.284 0.000 1.123 54 D CA -0.479 53.667 54.000 0.244 0.000 0.869 54 D CB 0.764 41.782 40.800 0.364 0.000 1.032 54 D HN 0.642 nan 8.370 nan 0.000 0.506 55 Y N 1.385 121.810 120.300 0.208 0.000 2.658 55 Y HA 0.233 4.785 4.550 0.003 0.000 0.276 55 Y C 1.519 177.556 175.900 0.229 0.000 1.167 55 Y CA -0.261 57.972 58.100 0.221 0.000 1.230 55 Y CB -0.355 38.226 38.460 0.201 0.000 1.144 55 Y HN 0.203 nan 8.280 nan 0.000 0.529 56 S N 0.179 115.915 115.700 0.061 0.000 2.461 56 S HA -0.044 4.428 4.470 0.003 0.000 0.228 56 S C 1.117 175.837 174.600 0.199 0.000 1.005 56 S CA 0.243 58.460 58.200 0.028 0.000 0.942 56 S CB -0.286 62.996 63.200 0.136 0.000 0.776 56 S HN 0.499 nan 8.310 nan 0.000 0.514 57 K N 1.751 122.338 120.400 0.312 0.000 2.790 57 K HA 0.244 4.566 4.320 0.003 0.000 0.229 57 K C -0.662 176.079 176.600 0.236 0.000 1.040 57 K CA -0.086 56.380 56.287 0.300 0.000 1.211 57 K CB -0.409 32.169 32.500 0.130 0.000 1.002 57 K HN 0.463 nan 8.250 nan 0.000 0.479 58 N N 0.306 119.149 118.700 0.239 0.000 2.443 58 N HA 0.261 5.003 4.740 0.003 0.000 0.293 58 N C -0.541 175.132 175.510 0.273 0.000 1.159 58 N CA -0.611 52.635 53.050 0.327 0.000 0.904 58 N CB 1.369 40.102 38.487 0.412 0.000 1.214 58 N HN -0.023 nan 8.380 nan 0.000 0.513 59 L N 2.168 123.654 121.223 0.439 0.000 2.437 59 L HA 0.234 4.576 4.340 0.003 0.000 0.243 59 L C -0.715 176.427 176.870 0.453 0.000 1.346 59 L CA -0.399 54.709 54.840 0.447 0.000 1.233 59 L CB -0.961 41.431 42.059 0.555 0.000 1.436 59 L HN 0.292 nan 8.230 nan 0.000 0.416 60 V N -1.980 118.017 119.914 0.138 0.000 2.841 60 V HA 0.785 4.907 4.120 0.003 0.000 0.310 60 V C -0.020 176.004 176.094 -0.117 0.000 1.090 60 V CA -0.631 61.628 62.300 -0.068 0.000 0.930 60 V CB 1.775 33.521 31.823 -0.129 0.000 1.014 60 V HN 0.314 nan 8.190 nan 0.000 0.425 61 S N 2.242 117.886 115.700 -0.093 0.000 2.767 61 S HA 0.501 4.973 4.470 0.003 0.000 0.300 61 S C 0.887 175.564 174.600 0.129 0.000 1.123 61 S CA -0.090 58.108 58.200 -0.003 0.000 0.992 61 S CB 1.764 64.985 63.200 0.036 0.000 1.138 61 S HN 1.026 nan 8.310 nan 0.000 0.550 62 K N 0.559 121.103 120.400 0.240 0.000 2.074 62 K HA -0.178 4.144 4.320 0.003 0.000 0.209 62 K C 1.887 178.441 176.600 -0.076 0.000 1.048 62 K CA 1.899 58.246 56.287 0.100 0.000 0.926 62 K CB -0.317 32.213 32.500 0.051 0.000 0.713 62 K HN 0.738 nan 8.250 nan 0.000 0.444 63 E N -0.106 120.020 120.200 -0.123 0.000 2.110 63 E HA -0.157 4.195 4.350 0.003 0.000 0.193 63 E C 1.975 178.301 176.600 -0.458 0.000 0.988 63 E CA 1.322 57.576 56.400 -0.242 0.000 0.804 63 E CB 0.103 29.687 29.700 -0.194 0.000 0.745 63 E HN 0.148 nan 8.360 nan 0.000 0.458 64 V N 1.248 120.795 119.914 -0.611 0.000 2.343 64 V HA -0.272 3.850 4.120 0.003 0.000 0.247 64 V C 2.312 178.074 176.094 -0.553 0.000 1.051 64 V CA 1.308 63.113 62.300 -0.826 0.000 1.036 64 V CB -0.339 30.853 31.823 -1.053 0.000 0.654 64 V HN 0.321 nan 8.190 nan 0.000 0.451 65 M N -0.538 118.860 119.600 -0.335 0.000 2.159 65 M HA -0.185 4.297 4.480 0.003 0.000 0.263 65 M C 2.227 178.395 176.300 -0.220 0.000 1.063 65 M CA 1.599 56.762 55.300 -0.229 0.000 1.110 65 M CB -1.282 31.263 32.600 -0.092 0.000 1.374 65 M HN 0.417 nan 8.290 nan 0.000 0.411 66 Q N -0.544 119.129 119.800 -0.212 0.000 2.084 66 Q HA -0.119 4.223 4.340 0.003 0.000 0.202 66 Q C 2.153 178.044 176.000 -0.181 0.000 0.978 66 Q CA 1.434 57.131 55.803 -0.177 0.000 0.844 66 Q CB -0.145 28.500 28.738 -0.154 0.000 0.898 66 Q HN 0.500 nan 8.270 nan 0.000 0.426 67 M N -0.024 119.434 119.600 -0.238 0.000 2.175 67 M HA -0.166 4.316 4.480 0.003 0.000 0.264 67 M C 2.074 178.275 176.300 -0.165 0.000 1.063 67 M CA 1.254 56.430 55.300 -0.207 0.000 1.119 67 M CB -0.175 32.255 32.600 -0.284 0.000 1.377 67 M HN 0.240 nan 8.290 nan 0.000 0.415 68 L N -0.743 120.355 121.223 -0.208 0.000 2.056 68 L HA -0.175 4.167 4.340 0.003 0.000 0.207 68 L C 2.414 179.213 176.870 -0.118 0.000 1.078 68 L CA 0.839 55.588 54.840 -0.151 0.000 0.749 68 L CB -0.607 41.332 42.059 -0.200 0.000 0.901 68 L HN 0.096 nan 8.230 nan 0.000 0.433 69 V N -0.177 119.657 119.914 -0.134 0.000 2.343 69 V HA -0.290 3.832 4.120 0.003 0.000 0.247 69 V C 2.358 178.397 176.094 -0.093 0.000 1.051 69 V CA 1.844 64.076 62.300 -0.113 0.000 1.036 69 V CB -0.491 31.260 31.823 -0.119 0.000 0.654 69 V HN 0.453 nan 8.190 nan 0.000 0.451 70 E N -0.264 119.882 120.200 -0.090 0.000 2.085 70 E HA -0.271 4.081 4.350 0.003 0.000 0.194 70 E C 2.112 178.682 176.600 -0.050 0.000 0.994 70 E CA 1.495 57.854 56.400 -0.068 0.000 0.801 70 E CB -0.247 29.414 29.700 -0.066 0.000 0.743 70 E HN 0.436 nan 8.360 nan 0.000 0.453 71 L N 0.797 121.994 121.223 -0.042 0.000 2.056 71 L HA -0.103 4.239 4.340 0.003 0.000 0.207 71 L C 2.180 179.027 176.870 -0.038 0.000 1.078 71 L CA 1.982 56.815 54.840 -0.012 0.000 0.749 71 L CB -0.616 41.461 42.059 0.031 0.000 0.901 71 L HN 0.038 nan 8.230 nan 0.000 0.433 72 A N -0.577 122.205 122.820 -0.063 0.000 1.908 72 A HA -0.250 4.072 4.320 0.003 0.000 0.218 72 A C 2.338 179.877 177.584 -0.076 0.000 1.181 72 A CA 2.068 54.056 52.037 -0.082 0.000 0.627 72 A CB -0.511 18.437 19.000 -0.087 0.000 0.818 72 A HN 0.524 nan 8.150 nan 0.000 0.445 73 K N 0.160 120.519 120.400 -0.069 0.000 2.025 73 K HA -0.112 4.210 4.320 0.003 0.000 0.207 73 K C 2.266 178.834 176.600 -0.054 0.000 1.049 73 K CA 1.664 57.911 56.287 -0.067 0.000 0.933 73 K CB -0.233 32.227 32.500 -0.066 0.000 0.714 73 K HN 0.629 nan 8.250 nan 0.000 0.438 74 S N 0.489 116.165 115.700 -0.041 0.000 2.561 74 S HA 0.033 4.505 4.470 0.003 0.000 0.225 74 S C 1.512 176.096 174.600 -0.028 0.000 0.977 74 S CA 0.348 58.531 58.200 -0.028 0.000 0.926 74 S CB 0.077 63.269 63.200 -0.013 0.000 0.769 74 S HN 0.117 nan 8.310 nan 0.000 0.533 75 R N 0.667 121.142 120.500 -0.042 0.000 2.334 75 R HA 0.267 4.608 4.340 0.003 0.000 0.216 75 R C 1.433 177.701 176.300 -0.054 0.000 0.905 75 R CA 0.575 56.645 56.100 -0.050 0.000 1.064 75 R CB -0.434 29.822 30.300 -0.073 0.000 1.046 75 R HN 0.633 nan 8.270 nan 0.000 0.508 76 G N 0.562 109.330 108.800 -0.053 0.000 2.132 76 G HA2 -0.249 3.713 3.960 0.003 0.000 0.228 76 G HA3 -0.249 3.713 3.960 0.003 0.000 0.228 76 G C 0.838 175.701 174.900 -0.062 0.000 1.000 76 G CA 0.309 45.380 45.100 -0.049 0.000 0.693 76 G HN 0.167 nan 8.290 nan 0.000 0.515 77 V N 0.125 119.988 119.914 -0.084 0.000 2.343 77 V HA -0.175 3.947 4.120 0.003 0.000 0.247 77 V C 2.648 178.690 176.094 -0.086 0.000 1.051 77 V CA 2.824 65.064 62.300 -0.101 0.000 1.036 77 V CB -0.376 31.389 31.823 -0.097 0.000 0.654 77 V HN 0.650 nan 8.190 nan 0.000 0.451 78 E N 0.281 120.419 120.200 -0.104 0.000 2.051 78 E HA -0.207 4.145 4.350 0.003 0.000 0.192 78 E C 2.342 178.874 176.600 -0.112 0.000 0.991 78 E CA 1.370 57.684 56.400 -0.143 0.000 0.799 78 E CB -0.336 29.276 29.700 -0.145 0.000 0.748 78 E HN 0.601 nan 8.360 nan 0.000 0.449 79 A N 1.616 124.395 122.820 -0.069 0.000 1.902 79 A HA -0.089 4.233 4.320 0.003 0.000 0.217 79 A C 2.418 180.013 177.584 0.017 0.000 1.181 79 A CA 1.670 53.684 52.037 -0.037 0.000 0.623 79 A CB -0.614 18.369 19.000 -0.028 0.000 0.818 79 A HN 0.286 nan 8.150 nan 0.000 0.443 80 A N -0.294 122.557 122.820 0.052 0.000 1.902 80 A HA -0.179 4.143 4.320 0.003 0.000 0.217 80 A C 2.265 180.064 177.584 0.359 0.000 1.181 80 A CA 1.740 53.883 52.037 0.177 0.000 0.623 80 A CB -0.534 18.529 19.000 0.105 0.000 0.818 80 A HN 0.562 nan 8.150 nan 0.000 0.443 81 R N -0.237 120.431 120.500 0.280 0.000 2.080 81 R HA -0.194 4.148 4.340 0.003 0.000 0.236 81 R C 1.485 177.837 176.300 0.087 0.000 1.137 81 R CA 2.063 58.332 56.100 0.281 0.000 0.943 81 R CB -0.497 29.685 30.300 -0.195 0.000 0.846 81 R HN 0.434 nan 8.270 nan 0.000 0.431 82 D N 0.444 120.806 120.400 -0.063 0.000 2.123 82 D HA -0.158 4.484 4.640 0.003 0.000 0.196 82 D C 1.621 177.932 176.300 0.018 0.000 0.992 82 D CA 1.114 55.065 54.000 -0.082 0.000 0.833 82 D CB -0.503 40.227 40.800 -0.117 0.000 0.954 82 D HN 0.286 nan 8.370 nan 0.000 0.455 83 N N 0.311 119.043 118.700 0.053 0.000 2.120 83 N HA -0.142 4.600 4.740 0.003 0.000 0.188 83 N C 1.806 177.334 175.510 0.030 0.000 1.024 83 N CA 0.575 53.656 53.050 0.052 0.000 0.852 83 N CB -0.417 38.121 38.487 0.085 0.000 1.003 83 N HN 0.309 nan 8.380 nan 0.000 0.424 84 M N -0.452 119.184 119.600 0.060 0.000 2.065 84 M HA -0.155 4.327 4.480 0.003 0.000 0.259 84 M C 1.401 177.587 176.300 -0.190 0.000 1.069 84 M CA 1.661 56.881 55.300 -0.133 0.000 1.110 84 M CB -0.199 32.214 32.600 -0.312 0.000 1.328 84 M HN -0.056 nan 8.290 nan 0.000 0.405 85 F N 0.687 120.494 119.950 -0.238 0.000 2.293 85 F HA -0.123 4.405 4.527 0.003 0.000 0.300 85 F C 2.802 178.473 175.800 -0.215 0.000 1.086 85 F CA 1.619 59.476 58.000 -0.237 0.000 1.375 85 F CB -0.506 38.364 39.000 -0.216 0.000 1.045 85 F HN 0.409 nan 8.300 nan 0.000 0.516 86 S N -1.071 114.620 115.700 -0.015 0.000 2.558 86 S HA 0.307 4.779 4.470 0.003 0.000 0.217 86 S C 1.732 176.249 174.600 -0.138 0.000 0.975 86 S CA 0.434 58.591 58.200 -0.071 0.000 0.912 86 S CB -0.062 63.109 63.200 -0.048 0.000 0.776 86 S HN 0.533 nan 8.310 nan 0.000 0.526 87 G N 0.785 109.471 108.800 -0.190 0.000 2.132 87 G HA2 -0.230 3.732 3.960 0.003 0.000 0.234 87 G HA3 -0.230 3.732 3.960 0.003 0.000 0.234 87 G C 0.057 174.867 174.900 -0.149 0.000 0.989 87 G CA 0.035 44.991 45.100 -0.240 0.000 0.676 87 G HN 0.640 nan 8.290 nan 0.000 0.522 88 S N -0.044 115.602 115.700 -0.090 0.000 2.568 88 S HA 0.304 4.775 4.470 0.003 0.000 0.282 88 S C 0.806 175.397 174.600 -0.016 0.000 1.338 88 S CA 0.053 58.233 58.200 -0.032 0.000 1.045 88 S CB 0.942 64.145 63.200 0.004 0.000 0.873 88 S HN 0.404 nan 8.310 nan 0.000 0.516 89 K N 2.374 122.792 120.400 0.029 0.000 2.278 89 K HA 0.139 4.460 4.320 0.003 0.000 0.237 89 K C 1.085 177.760 176.600 0.126 0.000 1.229 89 K CA -0.037 56.289 56.287 0.065 0.000 1.155 89 K CB -0.564 31.987 32.500 0.084 0.000 1.590 89 K HN 0.610 nan 8.250 nan 0.000 0.290 90 I N -2.139 118.498 120.570 0.111 0.000 3.111 90 I HA -0.043 4.129 4.170 0.003 0.000 0.272 90 I C 0.711 176.992 176.117 0.272 0.000 1.268 90 I CA 0.236 61.673 61.300 0.228 0.000 1.467 90 I CB -0.047 38.087 38.000 0.223 0.000 1.087 90 I HN 0.142 nan 8.210 nan 0.000 0.467 91 N N 1.894 120.687 118.700 0.154 0.000 2.739 91 N HA -0.039 4.703 4.740 0.003 0.000 0.266 91 N C 0.648 176.218 175.510 0.100 0.000 1.168 91 N CA -0.307 52.812 53.050 0.114 0.000 1.055 91 N CB -0.155 38.412 38.487 0.132 0.000 1.393 91 N HN 0.535 nan 8.380 nan 0.000 0.514 92 Y N 0.279 120.711 120.300 0.219 0.000 2.373 92 Y HA 0.021 4.572 4.550 0.003 0.000 0.293 92 Y C 2.125 178.138 175.900 0.190 0.000 1.129 92 Y CA 1.004 59.209 58.100 0.175 0.000 1.226 92 Y CB -1.112 37.436 38.460 0.146 0.000 1.000 92 Y HN 0.299 nan 8.280 nan 0.000 0.549 93 T N -2.037 112.637 114.554 0.199 0.000 2.995 93 T HA -0.050 4.302 4.350 0.003 0.000 0.269 93 T C 1.173 176.098 174.700 0.375 0.000 1.091 93 T CA 1.333 63.632 62.100 0.333 0.000 1.128 93 T CB -0.248 68.900 68.868 0.466 0.000 0.891 93 T HN 0.582 nan 8.240 nan 0.000 0.492 94 E N 0.574 120.950 120.200 0.293 0.000 2.498 94 E HA 0.138 4.490 4.350 0.003 0.000 0.203 94 E C -0.234 176.482 176.600 0.194 0.000 1.013 94 E CA -0.085 56.471 56.400 0.261 0.000 0.927 94 E CB 0.236 30.040 29.700 0.173 0.000 1.012 94 E HN 0.388 nan 8.360 nan 0.000 0.482 95 D N 1.753 122.268 120.400 0.191 0.000 2.803 95 D HA -0.196 4.446 4.640 0.003 0.000 0.233 95 D C -0.918 175.467 176.300 0.142 0.000 1.182 95 D CA 0.845 54.942 54.000 0.162 0.000 0.726 95 D CB -0.599 40.286 40.800 0.142 0.000 0.987 95 D HN 0.112 nan 8.370 nan 0.000 0.412 96 R N -0.112 120.472 120.500 0.140 0.000 2.744 96 R HA 0.822 5.164 4.340 0.003 0.000 0.279 96 R C -0.004 176.360 176.300 0.107 0.000 0.977 96 R CA -0.491 55.694 56.100 0.140 0.000 0.906 96 R CB 1.661 32.051 30.300 0.149 0.000 1.197 96 R HN 0.165 nan 8.270 nan 0.000 0.463 97 A N 1.335 124.221 122.820 0.111 0.000 2.327 97 A HA 0.447 4.769 4.320 0.003 0.000 0.255 97 A C -0.388 177.193 177.584 -0.005 0.000 1.099 97 A CA -0.254 51.785 52.037 0.003 0.000 0.801 97 A CB 0.666 19.604 19.000 -0.104 0.000 1.062 97 A HN 0.369 nan 8.150 nan 0.000 0.496 98 V N 1.418 121.209 119.914 -0.205 0.000 2.385 98 V HA 0.300 4.422 4.120 0.003 0.000 0.277 98 V C -0.294 175.515 176.094 -0.476 0.000 1.012 98 V CA 0.113 62.190 62.300 -0.372 0.000 0.832 98 V CB 0.629 31.928 31.823 -0.874 0.000 1.028 98 V HN 0.714 nan 8.190 nan 0.000 0.436 99 L N 4.811 125.905 121.223 -0.215 0.000 3.193 99 L HA 0.293 4.635 4.340 0.003 0.000 0.305 99 L C 1.832 178.652 176.870 -0.083 0.000 1.299 99 L CA -0.238 54.395 54.840 -0.345 0.000 0.904 99 L CB 0.168 41.832 42.059 -0.659 0.000 1.331 99 L HN 0.813 nan 8.230 nan 0.000 0.588 100 H N -0.638 118.437 119.070 0.009 0.000 2.489 100 H HA -0.098 4.460 4.556 0.003 0.000 0.293 100 H C 1.907 177.161 175.328 -0.123 0.000 1.066 100 H CA 1.638 57.732 56.048 0.077 0.000 1.305 100 H CB -0.517 29.322 29.762 0.129 0.000 1.386 100 H HN 0.436 nan 8.280 nan 0.000 0.551 101 V N -0.526 119.091 119.914 -0.494 0.000 2.626 101 V HA 0.021 4.143 4.120 0.003 0.000 0.252 101 V C 2.784 178.717 176.094 -0.269 0.000 1.067 101 V CA 1.168 63.206 62.300 -0.437 0.000 1.081 101 V CB -1.048 30.279 31.823 -0.826 0.000 0.686 101 V HN 0.471 nan 8.190 nan 0.000 0.468 102 A N 1.003 123.666 122.820 -0.261 0.000 1.930 102 A HA 0.005 4.327 4.320 0.003 0.000 0.217 102 A C 2.198 179.781 177.584 -0.003 0.000 1.175 102 A CA 1.957 53.883 52.037 -0.185 0.000 0.627 102 A CB -0.660 18.116 19.000 -0.374 0.000 0.815 102 A HN 0.590 nan 8.150 nan 0.000 0.443 103 L N -0.232 121.078 121.223 0.145 0.000 2.127 103 L HA -0.174 4.168 4.340 0.003 0.000 0.211 103 L C 2.369 179.321 176.870 0.137 0.000 1.089 103 L CA 1.640 56.636 54.840 0.261 0.000 0.757 103 L CB -0.420 41.880 42.059 0.403 0.000 0.899 103 L HN 0.548 nan 8.230 nan 0.000 0.434 104 R N -0.479 120.025 120.500 0.007 0.000 2.546 104 R HA 0.086 4.428 4.340 0.003 0.000 0.320 104 R C 0.222 176.446 176.300 -0.127 0.000 1.021 104 R CA -0.186 55.875 56.100 -0.065 0.000 1.088 104 R CB -0.733 29.464 30.300 -0.173 0.000 1.278 104 R HN 0.060 nan 8.270 nan 0.000 0.557 105 N N 2.346 120.971 118.700 -0.125 0.000 2.744 105 N HA -0.002 4.740 4.740 0.003 0.000 0.290 105 N C 0.525 175.786 175.510 -0.414 0.000 1.206 105 N CA -0.152 52.757 53.050 -0.236 0.000 1.119 105 N CB 0.479 38.912 38.487 -0.091 0.000 1.449 105 N HN 0.052 nan 8.380 nan 0.000 0.514 106 R N 0.508 120.515 120.500 -0.822 0.000 2.152 106 R HA -0.084 4.257 4.340 0.003 0.000 0.232 106 R C 1.809 177.950 176.300 -0.265 0.000 1.117 106 R CA 1.062 56.895 56.100 -0.444 0.000 0.981 106 R CB -1.087 29.010 30.300 -0.338 0.000 0.870 106 R HN 0.655 nan 8.270 nan 0.000 0.451 107 S N 0.784 116.311 115.700 -0.289 0.000 2.481 107 S HA -0.093 4.378 4.470 0.003 0.000 0.231 107 S C 0.687 175.271 174.600 -0.026 0.000 0.996 107 S CA 0.524 58.707 58.200 -0.029 0.000 0.942 107 S CB -0.152 63.120 63.200 0.120 0.000 0.768 107 S HN 0.283 nan 8.310 nan 0.000 0.520 108 N N 0.657 119.321 118.700 -0.060 0.000 2.778 108 N HA -0.125 4.617 4.740 0.003 0.000 0.249 108 N C -0.765 174.729 175.510 -0.026 0.000 1.069 108 N CA 1.415 54.443 53.050 -0.037 0.000 0.831 108 N CB -2.421 36.056 38.487 -0.016 0.000 1.142 108 N HN 0.585 nan 8.380 nan 0.000 0.573 109 T N 2.374 116.919 114.554 -0.015 0.000 2.871 109 T HA 0.167 4.519 4.350 0.003 0.000 0.296 109 T C -2.151 172.525 174.700 -0.040 0.000 0.998 109 T CA -0.399 61.692 62.100 -0.016 0.000 1.162 109 T CB 0.766 69.636 68.868 0.002 0.000 0.947 109 T HN 0.022 nan 8.240 nan 0.000 0.536 110 P HA 0.144 nan 4.420 nan 0.000 0.262 110 P C -0.556 176.687 177.300 -0.095 0.000 1.182 110 P CA 0.262 63.319 63.100 -0.070 0.000 0.761 110 P CB 0.225 31.890 31.700 -0.059 0.000 0.795 111 I N 3.565 124.050 120.570 -0.142 0.000 2.439 111 I HA 0.278 4.450 4.170 0.003 0.000 0.285 111 I C 0.330 176.308 176.117 -0.232 0.000 1.021 111 I CA -0.716 60.467 61.300 -0.195 0.000 1.091 111 I CB 1.613 39.454 38.000 -0.265 0.000 1.242 111 I HN 0.092 nan 8.210 nan 0.000 0.439 112 K N 5.287 125.571 120.400 -0.193 0.000 2.156 112 K HA 0.688 5.010 4.320 0.003 0.000 0.271 112 K C -0.999 175.476 176.600 -0.208 0.000 0.995 112 K CA -0.681 55.501 56.287 -0.176 0.000 0.890 112 K CB 2.575 35.007 32.500 -0.112 0.000 1.073 112 K HN 0.268 nan 8.250 nan 0.000 0.454 113 V N 3.152 122.946 119.914 -0.201 0.000 2.487 113 V HA 0.096 4.218 4.120 0.003 0.000 0.298 113 V C -0.387 175.667 176.094 -0.066 0.000 1.028 113 V CA -0.755 61.450 62.300 -0.158 0.000 0.860 113 V CB 1.505 33.201 31.823 -0.211 0.000 0.991 113 V HN 0.884 nan 8.190 nan 0.000 0.427 114 D N 4.089 124.466 120.400 -0.037 0.000 2.708 114 D HA -0.205 4.437 4.640 0.003 0.000 0.236 114 D C 1.333 177.622 176.300 -0.018 0.000 1.146 114 D CA 1.610 55.604 54.000 -0.010 0.000 0.662 114 D CB -1.019 39.791 40.800 0.018 0.000 1.059 114 D HN 1.466 nan 8.370 nan 0.000 0.428 115 G N -0.132 108.647 108.800 -0.036 0.000 2.184 115 G HA2 -0.380 3.582 3.960 0.003 0.000 0.264 115 G HA3 -0.380 3.582 3.960 0.003 0.000 0.264 115 G C 0.322 175.198 174.900 -0.040 0.000 0.975 115 G CA 0.885 45.964 45.100 -0.035 0.000 0.642 115 G HN 0.620 nan 8.290 nan 0.000 0.536 116 K N 0.841 121.212 120.400 -0.048 0.000 2.274 116 K HA 0.459 4.781 4.320 0.003 0.000 0.262 116 K C -0.680 175.869 176.600 -0.085 0.000 0.961 116 K CA -0.810 55.447 56.287 -0.049 0.000 0.833 116 K CB 0.876 33.361 32.500 -0.024 0.000 1.102 116 K HN 0.023 nan 8.250 nan 0.000 0.436 117 D N 3.524 123.874 120.400 -0.083 0.000 2.450 117 D HA -0.061 4.580 4.640 0.003 0.000 0.247 117 D C 1.008 177.230 176.300 -0.129 0.000 1.162 117 D CA -0.068 53.867 54.000 -0.109 0.000 0.879 117 D CB 1.284 42.037 40.800 -0.078 0.000 1.163 117 D HN 0.337 nan 8.370 nan 0.000 0.472 118 V N 2.170 121.962 119.914 -0.204 0.000 3.406 118 V HA -0.052 4.070 4.120 0.003 0.000 0.263 118 V C 1.886 177.864 176.094 -0.193 0.000 1.172 118 V CA 0.217 62.371 62.300 -0.243 0.000 1.140 118 V CB -0.328 31.222 31.823 -0.455 0.000 0.784 118 V HN 0.429 nan 8.190 nan 0.000 0.467 119 M N 0.734 120.250 119.600 -0.140 0.000 2.175 119 M HA 0.078 4.560 4.480 0.003 0.000 0.264 119 M C 0.175 176.459 176.300 -0.026 0.000 1.063 119 M CA 1.208 56.460 55.300 -0.079 0.000 1.119 119 M CB -2.523 30.038 32.600 -0.066 0.000 1.377 119 M HN 0.322 nan 8.290 nan 0.000 0.415 120 P HA -0.166 nan 4.420 nan 0.000 0.215 120 P C 1.496 178.827 177.300 0.052 0.000 1.157 120 P CA 1.262 64.373 63.100 0.018 0.000 0.874 120 P CB -0.061 31.645 31.700 0.010 0.000 0.790 121 E N -0.734 119.479 120.200 0.022 0.000 2.107 121 E HA -0.075 4.276 4.350 0.003 0.000 0.191 121 E C 2.132 178.855 176.600 0.204 0.000 0.982 121 E CA 0.747 57.212 56.400 0.109 0.000 0.809 121 E CB -0.920 28.810 29.700 0.050 0.000 0.756 121 E HN 0.064 nan 8.360 nan 0.000 0.459 122 V N 2.562 122.489 119.914 0.021 0.000 2.287 122 V HA -0.267 3.855 4.120 0.003 0.000 0.248 122 V C 1.932 178.204 176.094 0.297 0.000 1.053 122 V CA 1.808 64.239 62.300 0.217 0.000 1.027 122 V CB -0.486 31.412 31.823 0.125 0.000 0.646 122 V HN 0.222 nan 8.190 nan 0.000 0.447 123 N N -0.318 118.495 118.700 0.190 0.000 2.331 123 N HA -0.120 4.622 4.740 0.003 0.000 0.180 123 N C 1.931 177.558 175.510 0.196 0.000 1.019 123 N CA 1.028 54.190 53.050 0.187 0.000 0.881 123 N CB -0.402 38.158 38.487 0.121 0.000 0.972 123 N HN 0.469 nan 8.380 nan 0.000 0.435 124 R N 0.907 121.523 120.500 0.193 0.000 2.073 124 R HA -0.045 4.296 4.340 0.003 0.000 0.234 124 R C 1.796 178.226 176.300 0.218 0.000 1.134 124 R CA 1.131 57.338 56.100 0.179 0.000 0.952 124 R CB -0.165 30.237 30.300 0.169 0.000 0.850 124 R HN -0.055 nan 8.270 nan 0.000 0.433 125 V N 1.516 121.618 119.914 0.313 0.000 2.343 125 V HA -0.243 3.879 4.120 0.003 0.000 0.247 125 V C 2.426 178.724 176.094 0.341 0.000 1.051 125 V CA 1.637 64.137 62.300 0.333 0.000 1.036 125 V CB -0.432 31.636 31.823 0.409 0.000 0.654 125 V HN 0.341 nan 8.190 nan 0.000 0.451 126 L N -0.143 121.302 121.223 0.370 0.000 2.013 126 L HA -0.238 4.104 4.340 0.003 0.000 0.212 126 L C 2.435 179.438 176.870 0.221 0.000 1.073 126 L CA 1.784 56.882 54.840 0.430 0.000 0.753 126 L CB -0.800 41.560 42.059 0.501 0.000 0.890 126 L HN 0.349 nan 8.230 nan 0.000 0.432 127 D N 0.025 120.513 120.400 0.147 0.000 2.117 127 D HA -0.176 4.466 4.640 0.003 0.000 0.197 127 D C 2.204 178.516 176.300 0.020 0.000 0.987 127 D CA 1.167 55.181 54.000 0.023 0.000 0.829 127 D CB -0.064 40.773 40.800 0.061 0.000 0.961 127 D HN 0.240 nan 8.370 nan 0.000 0.460 128 K N -0.072 120.402 120.400 0.123 0.000 2.032 128 K HA -0.100 4.222 4.320 0.003 0.000 0.209 128 K C 2.290 179.094 176.600 0.339 0.000 1.048 128 K CA 1.094 57.498 56.287 0.194 0.000 0.927 128 K CB -0.116 32.482 32.500 0.163 0.000 0.712 128 K HN 0.124 nan 8.250 nan 0.000 0.441 129 M N 0.568 120.351 119.600 0.304 0.000 2.080 129 M HA -0.220 4.261 4.480 0.003 0.000 0.260 129 M C 2.312 178.597 176.300 -0.025 0.000 1.068 129 M CA 1.613 57.011 55.300 0.162 0.000 1.109 129 M CB -0.251 32.451 32.600 0.170 0.000 1.342 129 M HN 0.054 nan 8.290 nan 0.000 0.405 130 K N -0.207 119.909 120.400 -0.472 0.000 2.057 130 K HA -0.183 4.138 4.320 0.003 0.000 0.207 130 K C 2.235 178.692 176.600 -0.237 0.000 1.049 130 K CA 1.809 57.599 56.287 -0.828 0.000 0.931 130 K CB -0.163 31.589 32.500 -1.246 0.000 0.714 130 K HN 0.202 nan 8.250 nan 0.000 0.440 131 S N -0.006 115.650 115.700 -0.074 0.000 2.356 131 S HA -0.186 4.285 4.470 0.003 0.000 0.223 131 S C 1.790 176.477 174.600 0.144 0.000 1.032 131 S CA 1.246 59.476 58.200 0.049 0.000 1.005 131 S CB -0.511 62.746 63.200 0.096 0.000 0.867 131 S HN 0.448 nan 8.310 nan 0.000 0.449 132 F N 1.789 121.793 119.950 0.091 0.000 2.126 132 F HA -0.137 4.392 4.527 0.003 0.000 0.299 132 F C 2.549 178.344 175.800 -0.007 0.000 1.096 132 F CA 1.534 59.599 58.000 0.109 0.000 1.255 132 F CB -0.933 38.177 39.000 0.184 0.000 0.997 132 F HN 0.325 nan 8.300 nan 0.000 0.479 133 C N 0.263 119.564 119.300 0.002 0.000 2.429 133 C HA -0.199 4.263 4.460 0.003 0.000 0.277 133 C C 2.818 177.744 174.990 -0.107 0.000 1.262 133 C CA 1.309 60.275 59.018 -0.086 0.000 1.733 133 C CB -1.162 26.604 27.740 0.043 0.000 2.010 133 C HN 0.568 nan 8.230 nan 0.000 0.483 134 Q N 1.027 120.795 119.800 -0.055 0.000 2.061 134 Q HA -0.180 4.162 4.340 0.003 0.000 0.204 134 Q C 2.477 178.449 176.000 -0.047 0.000 0.984 134 Q CA 1.648 57.430 55.803 -0.035 0.000 0.846 134 Q CB -0.385 28.347 28.738 -0.011 0.000 0.902 134 Q HN 0.597 nan 8.270 nan 0.000 0.421 135 R N -0.375 120.096 120.500 -0.049 0.000 2.073 135 R HA -0.095 4.247 4.340 0.003 0.000 0.234 135 R C 2.416 178.686 176.300 -0.049 0.000 1.134 135 R CA 1.454 57.560 56.100 0.009 0.000 0.952 135 R CB -0.575 29.813 30.300 0.146 0.000 0.850 135 R HN 0.203 nan 8.270 nan 0.000 0.433 136 V N 0.740 120.479 119.914 -0.292 0.000 2.283 136 V HA -0.186 3.936 4.120 0.003 0.000 0.243 136 V C 2.413 178.403 176.094 -0.173 0.000 1.039 136 V CA 1.583 63.674 62.300 -0.348 0.000 1.016 136 V CB -0.484 30.916 31.823 -0.705 0.000 0.650 136 V HN 0.282 nan 8.190 nan 0.000 0.449 137 R N 1.078 121.490 120.500 -0.146 0.000 2.096 137 R HA -0.134 4.208 4.340 0.003 0.000 0.235 137 R C 2.529 178.806 176.300 -0.038 0.000 1.127 137 R CA 1.676 57.732 56.100 -0.074 0.000 0.968 137 R CB -0.541 29.729 30.300 -0.050 0.000 0.861 137 R HN 0.683 nan 8.270 nan 0.000 0.440 138 S N -0.844 114.838 115.700 -0.029 0.000 2.474 138 S HA 0.009 4.481 4.470 0.003 0.000 0.235 138 S C 1.572 176.173 174.600 0.002 0.000 0.997 138 S CA 0.800 58.995 58.200 -0.008 0.000 0.949 138 S CB 0.229 63.428 63.200 -0.001 0.000 0.766 138 S HN 0.549 nan 8.310 nan 0.000 0.517 139 G N 1.025 109.827 108.800 0.003 0.000 2.176 139 G HA2 -0.253 3.709 3.960 0.003 0.000 0.253 139 G HA3 -0.253 3.709 3.960 0.003 0.000 0.253 139 G C 0.429 175.356 174.900 0.045 0.000 0.979 139 G CA 0.388 45.502 45.100 0.022 0.000 0.641 139 G HN 0.513 nan 8.290 nan 0.000 0.530 140 D N -0.907 119.521 120.400 0.047 0.000 2.178 140 D HA -0.019 4.623 4.640 0.003 0.000 0.202 140 D C 1.178 177.526 176.300 0.080 0.000 0.974 140 D CA 0.487 54.516 54.000 0.048 0.000 0.841 140 D CB -0.070 40.751 40.800 0.035 0.000 0.953 140 D HN 0.528 nan 8.370 nan 0.000 0.478 141 W N 2.940 124.189 121.300 -0.085 0.000 2.446 141 W HA 0.123 4.785 4.660 0.004 0.000 0.316 141 W C -0.261 176.212 176.519 -0.077 0.000 1.376 141 W CA -0.111 57.179 57.345 -0.090 0.000 1.300 141 W CB 0.282 29.645 29.460 -0.163 0.000 1.351 141 W HN -0.280 nan 8.180 nan 0.000 0.530 142 K N 4.708 125.105 120.400 -0.005 0.000 2.164 142 K HA 0.493 4.815 4.320 0.003 0.000 0.258 142 K C 0.546 177.186 176.600 0.066 0.000 0.951 142 K CA -0.589 55.729 56.287 0.052 0.000 0.844 142 K CB 1.470 33.963 32.500 -0.012 0.000 1.099 142 K HN 0.599 nan 8.250 nan 0.000 0.435 143 G N 0.519 109.398 108.800 0.132 0.000 2.588 143 G HA2 0.048 4.009 3.960 0.003 0.000 0.278 143 G HA3 0.048 4.009 3.960 0.003 0.000 0.278 143 G C 0.692 175.794 174.900 0.337 0.000 1.307 143 G CA -0.221 45.005 45.100 0.210 0.000 1.016 143 G HN 0.736 nan 8.290 nan 0.000 0.503 144 Y N -1.980 118.689 120.300 0.615 0.000 2.497 144 Y HA -0.011 4.541 4.550 0.003 0.000 0.292 144 Y C 2.239 178.249 175.900 0.182 0.000 1.137 144 Y CA 1.431 59.748 58.100 0.362 0.000 1.285 144 Y CB -0.388 38.312 38.460 0.401 0.000 0.991 144 Y HN 0.345 nan 8.280 nan 0.000 0.556 145 T N -3.620 110.703 114.554 -0.386 0.000 3.105 145 T HA 0.482 4.833 4.350 0.003 0.000 0.253 145 T C 1.447 176.079 174.700 -0.114 0.000 1.047 145 T CA 0.156 62.067 62.100 -0.315 0.000 0.944 145 T CB -0.094 68.501 68.868 -0.455 0.000 1.016 145 T HN 0.857 nan 8.240 nan 0.000 0.544 146 G N 1.312 110.088 108.800 -0.039 0.000 2.141 146 G HA2 -0.208 3.754 3.960 0.003 0.000 0.231 146 G HA3 -0.208 3.754 3.960 0.003 0.000 0.231 146 G C -0.152 174.749 174.900 0.001 0.000 0.984 146 G CA -0.099 44.994 45.100 -0.012 0.000 0.660 146 G HN 0.663 nan 8.290 nan 0.000 0.525 147 K N 0.728 121.135 120.400 0.012 0.000 2.098 147 K HA 0.627 4.949 4.320 0.003 0.000 0.258 147 K C 0.501 177.139 176.600 0.063 0.000 0.973 147 K CA -0.473 55.831 56.287 0.029 0.000 0.898 147 K CB 1.290 33.803 32.500 0.021 0.000 1.057 147 K HN 0.120 nan 8.250 nan 0.000 0.447 148 S N 1.549 117.281 115.700 0.054 0.000 2.579 148 S HA 0.135 4.607 4.470 0.003 0.000 0.275 148 S C 0.458 175.097 174.600 0.064 0.000 1.345 148 S CA -0.573 57.665 58.200 0.062 0.000 1.031 148 S CB 0.276 63.499 63.200 0.038 0.000 0.892 148 S HN 0.301 nan 8.310 nan 0.000 0.529 149 I N 2.912 123.511 120.570 0.048 0.000 2.496 149 I HA 0.099 4.271 4.170 0.003 0.000 0.285 149 I C 1.668 177.786 176.117 0.001 0.000 1.080 149 I CA 0.277 61.584 61.300 0.011 0.000 1.404 149 I CB 0.487 38.433 38.000 -0.091 0.000 1.403 149 I HN 0.875 nan 8.210 nan 0.000 0.539 150 T N 0.273 114.841 114.554 0.022 0.000 2.971 150 T HA 0.250 4.602 4.350 0.003 0.000 0.252 150 T C 0.360 175.093 174.700 0.054 0.000 1.022 150 T CA -0.108 62.015 62.100 0.040 0.000 0.980 150 T CB 0.565 69.471 68.868 0.065 0.000 1.044 150 T HN 0.506 nan 8.240 nan 0.000 0.501 151 D N 1.109 121.522 120.400 0.022 0.000 2.896 151 D HA 0.436 5.078 4.640 0.003 0.000 0.241 151 D C -1.143 175.096 176.300 -0.103 0.000 1.188 151 D CA -0.492 53.535 54.000 0.045 0.000 0.879 151 D CB 2.516 43.337 40.800 0.035 0.000 1.553 151 D HN 0.091 nan 8.370 nan 0.000 0.515 152 I N 2.502 123.022 120.570 -0.084 0.000 2.433 152 I HA 0.410 4.582 4.170 0.003 0.000 0.292 152 I C -0.234 175.724 176.117 -0.265 0.000 1.001 152 I CA -0.684 60.480 61.300 -0.228 0.000 1.119 152 I CB 1.598 39.475 38.000 -0.205 0.000 1.289 152 I HN 0.267 nan 8.210 nan 0.000 0.438 153 I N 5.273 125.589 120.570 -0.423 0.000 2.411 153 I HA 0.261 4.433 4.170 0.003 0.000 0.284 153 I C 0.096 176.048 176.117 -0.274 0.000 1.012 153 I CA -0.346 60.728 61.300 -0.378 0.000 1.119 153 I CB 1.109 38.801 38.000 -0.514 0.000 1.261 153 I HN 0.432 nan 8.210 nan 0.000 0.448 154 N N 6.664 125.138 118.700 -0.377 0.000 2.422 154 N HA 0.494 5.236 4.740 0.003 0.000 0.264 154 N C -1.021 174.442 175.510 -0.078 0.000 1.063 154 N CA -0.134 52.776 53.050 -0.233 0.000 0.959 154 N CB 0.728 39.030 38.487 -0.308 0.000 1.087 154 N HN 0.468 nan 8.380 nan 0.000 0.483 155 I N 2.857 123.421 120.570 -0.010 0.000 2.355 155 I HA 0.608 4.780 4.170 0.003 0.000 0.288 155 I C 0.612 176.726 176.117 -0.005 0.000 0.999 155 I CA -0.610 60.691 61.300 0.001 0.000 1.163 155 I CB 1.397 39.405 38.000 0.014 0.000 1.316 155 I HN 0.614 nan 8.210 nan 0.000 0.454 156 G N 6.254 115.059 108.800 0.008 0.000 2.489 156 G HA2 0.591 4.553 3.960 0.003 0.000 0.291 156 G HA3 0.591 4.553 3.960 0.003 0.000 0.291 156 G C -1.514 173.394 174.900 0.013 0.000 1.487 156 G CA -0.676 44.425 45.100 0.002 0.000 0.795 156 G HN 0.638 nan 8.290 nan 0.000 0.513 157 I N -1.316 119.252 120.570 -0.003 0.000 2.846 157 I HA 0.913 5.085 4.170 0.003 0.000 0.307 157 I C 1.155 177.258 176.117 -0.024 0.000 1.053 157 I CA -0.031 61.266 61.300 -0.005 0.000 1.050 157 I CB 1.891 39.885 38.000 -0.010 0.000 1.239 157 I HN 1.849 nan 8.210 nan 0.000 0.439 158 G N 2.982 111.759 108.800 -0.037 0.000 2.690 158 G HA2 -0.363 3.599 3.960 0.003 0.000 0.334 158 G HA3 -0.363 3.599 3.960 0.003 0.000 0.334 158 G C 0.952 175.797 174.900 -0.092 0.000 1.250 158 G CA 0.947 46.005 45.100 -0.071 0.000 0.994 158 G HN 1.481 nan 8.290 nan 0.000 0.549 159 G N -0.665 108.076 108.800 -0.100 0.000 2.432 159 G HA2 0.066 4.028 3.960 0.003 0.000 0.219 159 G HA3 0.066 4.028 3.960 0.003 0.000 0.219 159 G C 1.946 176.791 174.900 -0.091 0.000 1.135 159 G CA 1.923 46.955 45.100 -0.113 0.000 0.767 159 G HN 1.148 nan 8.290 nan 0.000 0.550 160 S N -0.286 115.376 115.700 -0.064 0.000 2.607 160 S HA 0.067 4.539 4.470 0.003 0.000 0.224 160 S C 1.431 176.016 174.600 -0.023 0.000 0.969 160 S CA 1.168 59.334 58.200 -0.056 0.000 0.927 160 S CB 0.110 63.297 63.200 -0.023 0.000 0.772 160 S HN 0.676 nan 8.310 nan 0.000 0.533 161 D N 0.486 120.866 120.400 -0.034 0.000 3.099 161 D HA 0.183 4.825 4.640 0.003 0.000 0.291 161 D C 1.633 177.844 176.300 -0.149 0.000 1.209 161 D CA -0.090 53.900 54.000 -0.018 0.000 1.032 161 D CB -0.389 40.420 40.800 0.015 0.000 1.324 161 D HN 0.136 nan 8.370 nan 0.000 0.440 162 L N 0.648 121.796 121.223 -0.125 0.000 2.042 162 L HA 0.055 4.397 4.340 0.003 0.000 0.210 162 L C 2.489 179.283 176.870 -0.127 0.000 1.076 162 L CA 1.662 56.427 54.840 -0.125 0.000 0.749 162 L CB -0.671 41.338 42.059 -0.083 0.000 0.893 162 L HN 0.272 nan 8.230 nan 0.000 0.432 163 G N 0.276 109.034 108.800 -0.071 0.000 2.511 163 G HA2 -0.201 3.761 3.960 0.003 0.000 0.216 163 G HA3 -0.201 3.761 3.960 0.003 0.000 0.216 163 G C -0.753 173.905 174.900 -0.403 0.000 1.218 163 G CA 0.805 45.729 45.100 -0.293 0.000 0.788 163 G HN 0.301 nan 8.290 nan 0.000 0.560 164 P HA -0.086 nan 4.420 nan 0.000 0.215 164 P C 2.052 179.027 177.300 -0.542 0.000 1.153 164 P CA 0.637 63.599 63.100 -0.229 0.000 0.853 164 P CB -0.124 31.610 31.700 0.057 0.000 0.788 165 L N -1.071 119.536 121.223 -1.028 0.000 1.994 165 L HA -0.138 4.204 4.340 0.003 0.000 0.208 165 L C 2.267 178.779 176.870 -0.597 0.000 1.071 165 L CA 2.065 56.127 54.840 -1.298 0.000 0.745 165 L CB -1.417 39.993 42.059 -1.081 0.000 0.892 165 L HN -0.075 nan 8.230 nan 0.000 0.431 166 M N -1.317 118.007 119.600 -0.460 0.000 2.117 166 M HA -0.141 4.341 4.480 0.003 0.000 0.262 166 M C 2.111 178.256 176.300 -0.258 0.000 1.065 166 M CA 1.999 57.094 55.300 -0.343 0.000 1.114 166 M CB -0.439 31.928 32.600 -0.387 0.000 1.361 166 M HN 0.203 nan 8.290 nan 0.000 0.408 167 V N 0.803 120.535 119.914 -0.303 0.000 2.379 167 V HA -0.231 3.891 4.120 0.003 0.000 0.245 167 V C 2.637 178.683 176.094 -0.081 0.000 1.044 167 V CA 2.221 64.400 62.300 -0.201 0.000 1.036 167 V CB -1.456 30.216 31.823 -0.251 0.000 0.664 167 V HN 0.677 nan 8.190 nan 0.000 0.453 168 T N -2.173 112.345 114.554 -0.060 0.000 2.788 168 T HA -0.194 4.158 4.350 0.003 0.000 0.268 168 T C 1.721 176.469 174.700 0.080 0.000 1.044 168 T CA 1.341 63.491 62.100 0.084 0.000 1.139 168 T CB -0.290 68.635 68.868 0.094 0.000 0.867 168 T HN 0.410 nan 8.240 nan 0.000 0.454 169 E N 1.882 122.086 120.200 0.007 0.000 2.051 169 E HA 0.007 4.359 4.350 0.003 0.000 0.192 169 E C 2.690 179.367 176.600 0.128 0.000 0.991 169 E CA 1.403 57.867 56.400 0.107 0.000 0.799 169 E CB -0.809 28.940 29.700 0.082 0.000 0.748 169 E HN 0.685 nan 8.360 nan 0.000 0.449 170 A N 0.821 123.679 122.820 0.063 0.000 1.972 170 A HA -0.092 4.230 4.320 0.003 0.000 0.219 170 A C 2.016 179.565 177.584 -0.059 0.000 1.169 170 A CA 0.960 53.040 52.037 0.072 0.000 0.635 170 A CB -0.300 18.733 19.000 0.055 0.000 0.810 170 A HN 0.179 nan 8.150 nan 0.000 0.446 171 L N -1.212 119.982 121.223 -0.050 0.000 2.872 171 L HA 0.145 4.487 4.340 0.003 0.000 0.245 171 L C 1.658 178.496 176.870 -0.054 0.000 1.211 171 L CA -0.152 54.694 54.840 0.011 0.000 1.013 171 L CB 0.170 42.247 42.059 0.030 0.000 1.326 171 L HN 0.206 nan 8.230 nan 0.000 0.525 172 K N 2.031 122.288 120.400 -0.237 0.000 2.089 172 K HA -0.151 4.171 4.320 0.003 0.000 0.210 172 K C -0.766 175.671 176.600 -0.272 0.000 1.048 172 K CA 1.878 58.053 56.287 -0.186 0.000 0.926 172 K CB -0.903 31.532 32.500 -0.108 0.000 0.714 172 K HN 0.126 nan 8.250 nan 0.000 0.448 173 P HA -0.109 nan 4.420 nan 0.000 0.225 173 P C 0.075 177.020 177.300 -0.592 0.000 1.148 173 P CA 1.120 63.913 63.100 -0.511 0.000 0.779 173 P CB -0.019 31.245 31.700 -0.726 0.000 0.780 174 Y N -1.109 119.039 120.300 -0.254 0.000 2.493 174 Y HA 0.112 4.664 4.550 0.003 0.000 0.275 174 Y C 1.804 177.613 175.900 -0.152 0.000 1.183 174 Y CA 0.179 58.124 58.100 -0.259 0.000 1.258 174 Y CB -0.372 37.770 38.460 -0.530 0.000 1.108 174 Y HN 0.026 nan 8.280 nan 0.000 0.521 175 S N -0.555 115.052 115.700 -0.154 0.000 2.572 175 S HA 0.057 4.529 4.470 0.003 0.000 0.228 175 S C 0.448 174.934 174.600 -0.189 0.000 0.963 175 S CA -0.724 57.289 58.200 -0.312 0.000 0.939 175 S CB -0.217 62.474 63.200 -0.849 0.000 0.804 175 S HN 0.285 nan 8.310 nan 0.000 0.480 176 K N 1.218 121.564 120.400 -0.091 0.000 2.451 176 K HA 0.331 4.653 4.320 0.003 0.000 0.280 176 K C 1.209 177.793 176.600 -0.026 0.000 1.020 176 K CA 1.102 57.359 56.287 -0.050 0.000 1.008 176 K CB -0.314 32.166 32.500 -0.032 0.000 0.917 176 K HN 0.464 nan 8.250 nan 0.000 0.478 177 G N 2.462 111.249 108.800 -0.023 0.000 2.217 177 G HA2 -0.232 3.730 3.960 0.003 0.000 0.246 177 G HA3 -0.232 3.730 3.960 0.003 0.000 0.246 177 G C 0.330 175.220 174.900 -0.017 0.000 0.990 177 G CA -0.048 45.045 45.100 -0.011 0.000 0.627 177 G HN 0.973 nan 8.290 nan 0.000 0.522 178 G N 0.663 109.440 108.800 -0.038 0.000 2.451 178 G HA2 0.711 4.673 3.960 0.003 0.000 0.303 178 G HA3 0.711 4.673 3.960 0.003 0.000 0.303 178 G C -1.661 173.250 174.900 0.018 0.000 1.166 178 G CA -0.540 44.544 45.100 -0.027 0.000 0.884 178 G HN 0.282 nan 8.290 nan 0.000 0.514 179 P HA 0.188 nan 4.420 nan 0.000 0.272 179 P C -0.162 177.223 177.300 0.143 0.000 1.223 179 P CA -0.367 62.769 63.100 0.060 0.000 0.784 179 P CB 1.107 32.809 31.700 0.003 0.000 0.923 180 R N 0.239 120.803 120.500 0.107 0.000 2.679 180 R HA 0.328 4.670 4.340 0.003 0.000 0.268 180 R C -0.052 176.203 176.300 -0.074 0.000 1.044 180 R CA -0.305 55.822 56.100 0.045 0.000 1.105 180 R CB 0.292 30.625 30.300 0.055 0.000 0.989 180 R HN 0.286 nan 8.270 nan 0.000 0.447 181 V N 3.877 123.569 119.914 -0.370 0.000 2.555 181 V HA 0.493 4.615 4.120 0.003 0.000 0.302 181 V C -1.494 174.255 176.094 -0.577 0.000 1.038 181 V CA -0.620 61.401 62.300 -0.465 0.000 0.887 181 V CB 1.168 32.603 31.823 -0.648 0.000 0.991 181 V HN 0.662 nan 8.190 nan 0.000 0.434 182 W N 4.904 125.882 121.300 -0.538 0.000 2.844 182 W HA 0.731 5.393 4.660 0.004 0.000 0.340 182 W C -1.133 174.982 176.519 -0.673 0.000 1.093 182 W CA -0.706 56.408 57.345 -0.386 0.000 1.212 182 W CB 1.736 31.028 29.460 -0.279 0.000 1.422 182 W HN 0.378 nan 8.180 nan 0.000 0.515 183 F N 1.833 121.830 119.950 0.079 0.000 2.507 183 F HA 0.594 5.124 4.527 0.004 0.000 0.328 183 F C -0.365 175.339 175.800 -0.160 0.000 1.136 183 F CA -1.194 56.792 58.000 -0.024 0.000 0.930 183 F CB 1.418 40.403 39.000 -0.024 0.000 1.166 183 F HN -0.175 nan 8.300 nan 0.000 0.436 184 V N 2.861 122.713 119.914 -0.103 0.000 2.409 184 V HA 0.408 4.530 4.120 0.003 0.000 0.291 184 V C 0.051 176.073 176.094 -0.121 0.000 1.020 184 V CA -0.126 61.937 62.300 -0.395 0.000 0.848 184 V CB 1.392 33.058 31.823 -0.263 0.000 0.990 184 V HN 0.942 nan 8.190 nan 0.000 0.430 185 S N 2.789 118.494 115.700 0.007 0.000 3.171 185 S HA 0.165 4.637 4.470 0.003 0.000 0.258 185 S C 0.678 175.385 174.600 0.178 0.000 1.083 185 S CA -0.192 58.092 58.200 0.140 0.000 0.801 185 S CB -0.056 63.248 63.200 0.174 0.000 0.831 185 S HN 0.538 nan 8.310 nan 0.000 0.462 186 N N 1.687 120.609 118.700 0.369 0.000 2.492 186 N HA 0.193 4.935 4.740 0.003 0.000 0.262 186 N C 0.707 176.296 175.510 0.132 0.000 1.202 186 N CA -0.110 53.054 53.050 0.191 0.000 0.926 186 N CB 0.997 39.552 38.487 0.113 0.000 1.078 186 N HN 0.305 nan 8.380 nan 0.000 0.454 187 I N 2.106 122.715 120.570 0.065 0.000 2.394 187 I HA -0.129 4.043 4.170 0.003 0.000 0.251 187 I C 0.353 176.498 176.117 0.045 0.000 1.136 187 I CA 0.643 61.968 61.300 0.042 0.000 1.425 187 I CB -0.568 37.444 38.000 0.020 0.000 1.079 187 I HN 0.573 nan 8.210 nan 0.000 0.425 188 D N 0.625 121.052 120.400 0.045 0.000 2.662 188 D HA -0.070 4.572 4.640 0.003 0.000 0.237 188 D C 1.586 177.921 176.300 0.058 0.000 1.154 188 D CA 0.934 54.957 54.000 0.038 0.000 0.861 188 D CB 0.732 41.544 40.800 0.020 0.000 1.146 188 D HN 0.355 nan 8.370 nan 0.000 0.518 189 G N 3.254 112.078 108.800 0.040 0.000 2.479 189 G HA2 -0.284 3.678 3.960 0.003 0.000 0.220 189 G HA3 -0.284 3.678 3.960 0.003 0.000 0.220 189 G C 1.491 176.420 174.900 0.047 0.000 1.115 189 G CA 1.099 46.221 45.100 0.037 0.000 0.757 189 G HN 0.590 nan 8.290 nan 0.000 0.560 190 T N -0.539 114.047 114.554 0.053 0.000 2.699 190 T HA -0.160 4.192 4.350 0.003 0.000 0.268 190 T C 1.878 176.647 174.700 0.116 0.000 1.036 190 T CA 1.476 63.612 62.100 0.060 0.000 1.147 190 T CB -0.353 68.538 68.868 0.038 0.000 0.862 190 T HN 0.604 nan 8.240 nan 0.000 0.446 191 H N -0.519 118.557 119.070 0.012 0.000 2.270 191 H HA -0.060 4.498 4.556 0.004 0.000 0.299 191 H C 2.393 177.722 175.328 0.002 0.000 1.077 191 H CA 1.288 57.349 56.048 0.023 0.000 1.294 191 H CB -0.086 29.694 29.762 0.031 0.000 1.371 191 H HN 0.182 nan 8.280 nan 0.000 0.491 192 I N 0.930 121.528 120.570 0.046 0.000 2.315 192 I HA -0.177 3.995 4.170 0.003 0.000 0.248 192 I C 2.455 178.508 176.117 -0.107 0.000 1.117 192 I CA 1.418 62.673 61.300 -0.076 0.000 1.404 192 I CB -0.592 37.362 38.000 -0.077 0.000 1.071 192 I HN 0.338 nan 8.210 nan 0.000 0.419 193 A N 1.134 123.925 122.820 -0.048 0.000 1.902 193 A HA -0.257 4.065 4.320 0.003 0.000 0.217 193 A C 2.348 179.893 177.584 -0.065 0.000 1.181 193 A CA 2.117 54.117 52.037 -0.061 0.000 0.623 193 A CB -0.776 18.218 19.000 -0.009 0.000 0.818 193 A HN 0.614 nan 8.150 nan 0.000 0.443 194 K N -1.266 119.129 120.400 -0.008 0.000 2.228 194 K HA -0.032 4.289 4.320 0.003 0.000 0.202 194 K C 1.613 178.190 176.600 -0.038 0.000 1.051 194 K CA 1.614 57.909 56.287 0.012 0.000 0.960 194 K CB -0.588 31.959 32.500 0.078 0.000 0.743 194 K HN 0.277 nan 8.250 nan 0.000 0.458 195 T N 2.514 117.014 114.554 -0.091 0.000 2.701 195 T HA -0.004 4.348 4.350 0.003 0.000 0.263 195 T C 1.900 176.297 174.700 -0.505 0.000 1.040 195 T CA 1.195 63.133 62.100 -0.270 0.000 1.147 195 T CB -0.197 68.541 68.868 -0.216 0.000 0.865 195 T HN 0.122 nan 8.240 nan 0.000 0.426 196 L N 0.961 121.893 121.223 -0.485 0.000 2.191 196 L HA -0.059 4.283 4.340 0.003 0.000 0.212 196 L C 2.981 179.631 176.870 -0.367 0.000 1.103 196 L CA 0.947 55.352 54.840 -0.726 0.000 0.769 196 L CB -0.695 40.703 42.059 -1.101 0.000 0.908 196 L HN 0.248 nan 8.230 nan 0.000 0.438 197 A N -0.107 122.597 122.820 -0.193 0.000 2.019 197 A HA -0.136 4.186 4.320 0.003 0.000 0.219 197 A C 2.149 179.721 177.584 -0.019 0.000 1.164 197 A CA 1.753 53.770 52.037 -0.033 0.000 0.644 197 A CB -0.361 18.635 19.000 -0.006 0.000 0.805 197 A HN 0.487 nan 8.150 nan 0.000 0.449 198 S N -1.101 114.523 115.700 -0.127 0.000 2.582 198 S HA 0.590 5.062 4.470 0.003 0.000 0.234 198 S C 0.065 174.578 174.600 -0.144 0.000 0.961 198 S CA -0.438 57.708 58.200 -0.090 0.000 0.953 198 S CB -0.303 62.876 63.200 -0.035 0.000 0.800 198 S HN 0.325 nan 8.310 nan 0.000 0.471 199 L N 0.558 121.716 121.223 -0.109 0.000 2.323 199 L HA 0.653 4.995 4.340 0.003 0.000 0.265 199 L C -0.112 176.925 176.870 0.278 0.000 1.012 199 L CA -0.721 54.104 54.840 -0.025 0.000 0.820 199 L CB 2.055 43.982 42.059 -0.219 0.000 1.334 199 L HN 0.090 nan 8.230 nan 0.000 0.427 200 S N 0.362 116.215 115.700 0.255 0.000 2.437 200 S HA 0.435 4.907 4.470 0.003 0.000 0.305 200 S C -1.988 172.805 174.600 0.321 0.000 1.109 200 S CA -1.571 56.780 58.200 0.252 0.000 1.099 200 S CB 1.522 64.806 63.200 0.141 0.000 1.004 200 S HN 0.318 nan 8.310 nan 0.000 0.475 201 P HA -0.086 nan 4.420 nan 0.000 0.219 201 P C 0.732 178.236 177.300 0.340 0.000 1.146 201 P CA 1.101 64.257 63.100 0.094 0.000 0.808 201 P CB 0.136 31.638 31.700 -0.331 0.000 0.779 202 E N -1.165 119.202 120.200 0.278 0.000 2.204 202 E HA -0.077 4.275 4.350 0.003 0.000 0.194 202 E C 0.983 177.801 176.600 0.363 0.000 0.989 202 E CA 1.627 58.165 56.400 0.231 0.000 0.824 202 E CB -0.344 29.351 29.700 -0.008 0.000 0.756 202 E HN 0.387 nan 8.360 nan 0.000 0.477 203 T N -2.753 111.979 114.554 0.297 0.000 3.170 203 T HA 0.241 4.593 4.350 0.003 0.000 0.288 203 T C 0.244 175.041 174.700 0.162 0.000 0.992 203 T CA -0.523 61.707 62.100 0.216 0.000 0.909 203 T CB 0.703 69.645 68.868 0.123 0.000 1.133 203 T HN -0.205 nan 8.240 nan 0.000 0.530 204 S N 1.577 117.408 115.700 0.218 0.000 2.475 204 S HA 0.743 5.215 4.470 0.003 0.000 0.298 204 S C -0.905 173.655 174.600 -0.067 0.000 1.119 204 S CA -0.751 57.432 58.200 -0.029 0.000 1.085 204 S CB 1.728 64.859 63.200 -0.115 0.000 1.028 204 S HN 0.522 nan 8.310 nan 0.000 0.489 205 L N 3.437 124.456 121.223 -0.341 0.000 2.362 205 L HA 0.661 5.002 4.340 0.003 0.000 0.275 205 L C -1.784 174.746 176.870 -0.566 0.000 0.998 205 L CA -0.640 53.993 54.840 -0.345 0.000 0.820 205 L CB 0.784 42.668 42.059 -0.292 0.000 1.270 205 L HN 0.544 nan 8.230 nan 0.000 0.415 206 F N 5.341 125.026 119.950 -0.441 0.000 2.420 206 F HA 0.496 5.025 4.527 0.003 0.000 0.342 206 F C 0.114 175.780 175.800 -0.224 0.000 1.113 206 F CA -0.437 57.314 58.000 -0.415 0.000 1.059 206 F CB 1.387 39.957 39.000 -0.717 0.000 1.128 206 F HN 0.197 nan 8.300 nan 0.000 0.475 207 I N 5.333 125.898 120.570 -0.007 0.000 2.328 207 I HA 0.259 4.431 4.170 0.003 0.000 0.287 207 I C -0.758 175.386 176.117 0.044 0.000 1.012 207 I CA -0.585 60.708 61.300 -0.012 0.000 1.195 207 I CB 0.841 38.773 38.000 -0.113 0.000 1.350 207 I HN 0.305 nan 8.210 nan 0.000 0.464 208 I N 5.960 126.595 120.570 0.109 0.000 2.291 208 I HA 0.330 4.501 4.170 0.003 0.000 0.290 208 I C 0.659 176.841 176.117 0.109 0.000 1.050 208 I CA -0.415 60.928 61.300 0.071 0.000 1.245 208 I CB 0.862 38.869 38.000 0.013 0.000 1.405 208 I HN 0.523 nan 8.210 nan 0.000 0.478 209 A N 5.044 127.887 122.820 0.038 0.000 2.341 209 A HA 0.617 4.938 4.320 0.003 0.000 0.326 209 A C 0.166 177.794 177.584 0.073 0.000 1.402 209 A CA -0.334 51.745 52.037 0.070 0.000 0.957 209 A CB 0.533 19.539 19.000 0.010 0.000 1.151 209 A HN 0.663 nan 8.150 nan 0.000 0.533 210 S N 2.264 118.066 115.700 0.171 0.000 2.599 210 S HA 0.310 4.782 4.470 0.003 0.000 0.269 210 S C 0.520 175.238 174.600 0.196 0.000 1.135 210 S CA -0.486 57.793 58.200 0.132 0.000 1.027 210 S CB 1.039 64.208 63.200 -0.051 0.000 1.129 210 S HN 0.704 nan 8.310 nan 0.000 0.458 211 K N 2.985 123.477 120.400 0.154 0.000 2.034 211 K HA -0.122 4.200 4.320 0.003 0.000 0.214 211 K C 1.926 178.468 176.600 -0.097 0.000 1.051 211 K CA 3.099 59.304 56.287 -0.137 0.000 0.931 211 K CB -0.770 31.613 32.500 -0.196 0.000 0.715 211 K HN 0.763 nan 8.250 nan 0.000 0.446 212 T N -3.411 111.136 114.554 -0.011 0.000 3.067 212 T HA 0.013 4.365 4.350 0.003 0.000 0.257 212 T C 0.974 175.749 174.700 0.125 0.000 1.105 212 T CA 0.442 62.550 62.100 0.014 0.000 1.104 212 T CB -0.512 68.357 68.868 0.002 0.000 0.925 212 T HN 0.311 nan 8.240 nan 0.000 0.498 213 F N 2.053 121.960 119.950 -0.071 0.000 3.084 213 F HA -0.298 4.231 4.527 0.003 0.000 0.286 213 F C 1.045 176.815 175.800 -0.050 0.000 0.855 213 F CA 1.102 59.058 58.000 -0.072 0.000 1.091 213 F CB -1.561 37.389 39.000 -0.083 0.000 1.177 213 F HN 0.531 nan 8.300 nan 0.000 0.542 214 T N -4.694 109.848 114.554 -0.020 0.000 3.058 214 T HA 0.164 4.516 4.350 0.003 0.000 0.278 214 T C 0.504 175.167 174.700 -0.062 0.000 0.974 214 T CA 0.492 62.571 62.100 -0.035 0.000 0.893 214 T CB 0.088 68.963 68.868 0.012 0.000 1.138 214 T HN 0.102 nan 8.240 nan 0.000 0.529 215 T N 3.374 117.876 114.554 -0.086 0.000 2.778 215 T HA 0.005 4.357 4.350 0.003 0.000 0.282 215 T C 1.315 175.967 174.700 -0.080 0.000 0.983 215 T CA 0.183 62.240 62.100 -0.072 0.000 1.193 215 T CB 1.071 69.893 68.868 -0.076 0.000 0.938 215 T HN 0.441 nan 8.240 nan 0.000 0.523 216 Q N 3.167 122.938 119.800 -0.047 0.000 2.045 216 Q HA -0.222 4.120 4.340 0.003 0.000 0.206 216 Q C 1.923 177.897 176.000 -0.044 0.000 0.991 216 Q CA 1.965 57.746 55.803 -0.038 0.000 0.851 216 Q CB 0.053 28.781 28.738 -0.017 0.000 0.911 216 Q HN 0.805 nan 8.270 nan 0.000 0.418 217 E N -0.711 119.467 120.200 -0.037 0.000 2.047 217 E HA -0.125 4.227 4.350 0.003 0.000 0.191 217 E C 2.111 178.683 176.600 -0.047 0.000 0.987 217 E CA 1.556 57.940 56.400 -0.028 0.000 0.799 217 E CB -0.054 29.639 29.700 -0.013 0.000 0.752 217 E HN 0.387 nan 8.360 nan 0.000 0.449 218 T N 1.840 116.351 114.554 -0.071 0.000 2.684 218 T HA -0.145 4.207 4.350 0.003 0.000 0.267 218 T C 1.867 176.466 174.700 -0.168 0.000 1.036 218 T CA 0.956 62.990 62.100 -0.110 0.000 1.148 218 T CB -0.090 68.699 68.868 -0.132 0.000 0.863 218 T HN 0.045 nan 8.240 nan 0.000 0.436 219 I N 1.592 122.040 120.570 -0.203 0.000 2.315 219 I HA -0.089 4.083 4.170 0.003 0.000 0.248 219 I C 2.608 178.672 176.117 -0.087 0.000 1.117 219 I CA 1.280 62.441 61.300 -0.232 0.000 1.404 219 I CB -1.892 35.967 38.000 -0.236 0.000 1.071 219 I HN 0.264 nan 8.210 nan 0.000 0.419 220 T N 1.461 115.982 114.554 -0.055 0.000 2.652 220 T HA -0.156 4.196 4.350 0.003 0.000 0.267 220 T C 1.802 176.496 174.700 -0.010 0.000 1.039 220 T CA 1.478 63.568 62.100 -0.018 0.000 1.153 220 T CB -0.257 68.603 68.868 -0.013 0.000 0.863 220 T HN 0.264 nan 8.240 nan 0.000 0.428 221 N N 1.321 120.006 118.700 -0.025 0.000 2.104 221 N HA -0.057 4.685 4.740 0.003 0.000 0.190 221 N C 2.134 177.635 175.510 -0.015 0.000 1.024 221 N CA 1.423 54.459 53.050 -0.024 0.000 0.853 221 N CB -0.565 37.903 38.487 -0.031 0.000 1.008 221 N HN 0.437 nan 8.380 nan 0.000 0.424 222 A N 1.240 124.049 122.820 -0.019 0.000 1.902 222 A HA -0.149 4.173 4.320 0.003 0.000 0.217 222 A C 2.101 179.817 177.584 0.220 0.000 1.181 222 A CA 1.450 53.520 52.037 0.056 0.000 0.623 222 A CB -0.494 18.402 19.000 -0.173 0.000 0.818 222 A HN 0.362 nan 8.150 nan 0.000 0.443 223 E N -1.056 119.252 120.200 0.180 0.000 2.106 223 E HA -0.103 4.249 4.350 0.003 0.000 0.192 223 E C 2.030 178.654 176.600 0.040 0.000 0.984 223 E CA 1.369 57.844 56.400 0.125 0.000 0.806 223 E CB -0.240 29.514 29.700 0.090 0.000 0.750 223 E HN 0.580 nan 8.360 nan 0.000 0.458 224 T N 0.843 115.418 114.554 0.035 0.000 2.746 224 T HA -0.171 4.181 4.350 0.003 0.000 0.267 224 T C 1.976 176.706 174.700 0.051 0.000 1.039 224 T CA 1.249 63.367 62.100 0.030 0.000 1.142 224 T CB -0.194 68.677 68.868 0.006 0.000 0.866 224 T HN 0.246 nan 8.240 nan 0.000 0.444 225 A N 1.431 124.247 122.820 -0.007 0.000 1.902 225 A HA -0.113 4.209 4.320 0.003 0.000 0.217 225 A C 2.209 179.917 177.584 0.207 0.000 1.181 225 A CA 1.998 53.981 52.037 -0.089 0.000 0.623 225 A CB -0.530 18.106 19.000 -0.607 0.000 0.818 225 A HN 0.484 nan 8.150 nan 0.000 0.443 226 K N -0.253 120.216 120.400 0.115 0.000 2.057 226 K HA -0.210 4.112 4.320 0.003 0.000 0.207 226 K C 2.095 178.740 176.600 0.075 0.000 1.049 226 K CA 1.683 57.940 56.287 -0.049 0.000 0.931 226 K CB -0.188 31.997 32.500 -0.526 0.000 0.714 226 K HN 0.629 nan 8.250 nan 0.000 0.440 227 E N -0.378 119.853 120.200 0.051 0.000 2.058 227 E HA -0.251 4.101 4.350 0.003 0.000 0.194 227 E C 1.790 178.463 176.600 0.122 0.000 0.997 227 E CA 1.655 58.085 56.400 0.049 0.000 0.801 227 E CB -0.299 29.427 29.700 0.042 0.000 0.746 227 E HN 0.522 nan 8.360 nan 0.000 0.450 228 W N 0.553 121.860 121.300 0.012 0.000 2.335 228 W HA -0.277 4.386 4.660 0.004 0.000 0.311 228 W C 2.004 178.561 176.519 0.064 0.000 1.213 228 W CA 2.064 59.430 57.345 0.035 0.000 1.274 228 W CB -0.721 28.774 29.460 0.058 0.000 1.148 228 W HN 0.201 nan 8.180 nan 0.000 0.498 229 F N 0.827 120.839 119.950 0.104 0.000 2.102 229 F HA -0.186 4.343 4.527 0.003 0.000 0.298 229 F C 2.043 177.674 175.800 -0.281 0.000 1.105 229 F CA 2.228 60.138 58.000 -0.150 0.000 1.239 229 F CB -0.833 38.314 39.000 0.244 0.000 0.991 229 F HN -0.136 nan 8.300 nan 0.000 0.474 230 L N -0.091 120.949 121.223 -0.305 0.000 2.201 230 L HA -0.151 4.191 4.340 0.003 0.000 0.212 230 L C 2.285 178.918 176.870 -0.395 0.000 1.105 230 L CA 1.155 55.738 54.840 -0.429 0.000 0.775 230 L CB -0.629 41.315 42.059 -0.191 0.000 0.913 230 L HN 0.147 nan 8.230 nan 0.000 0.440 231 E N 0.119 120.134 120.200 -0.308 0.000 2.118 231 E HA -0.226 4.126 4.350 0.003 0.000 0.195 231 E C 2.180 178.586 176.600 -0.323 0.000 0.992 231 E CA 1.541 57.786 56.400 -0.259 0.000 0.804 231 E CB -0.029 29.555 29.700 -0.194 0.000 0.741 231 E HN 0.485 nan 8.360 nan 0.000 0.458 232 A N 0.092 122.628 122.820 -0.473 0.000 1.878 232 A HA 0.180 4.502 4.320 0.003 0.000 0.213 232 A C 2.225 179.512 177.584 -0.495 0.000 1.192 232 A CA 1.232 53.010 52.037 -0.431 0.000 0.619 232 A CB -0.424 18.293 19.000 -0.472 0.000 0.837 232 A HN 0.293 nan 8.150 nan 0.000 0.446 233 A N -0.729 121.526 122.820 -0.941 0.000 2.021 233 A HA 0.178 4.500 4.320 0.003 0.000 0.216 233 A C 1.162 178.403 177.584 -0.572 0.000 1.163 233 A CA 1.136 52.468 52.037 -1.176 0.000 0.676 233 A CB -0.355 17.400 19.000 -2.076 0.000 0.818 233 A HN 0.497 nan 8.150 nan 0.000 0.453 234 K N -0.505 119.627 120.400 -0.447 0.000 3.016 234 K HA -0.208 4.114 4.320 0.003 0.000 0.262 234 K C -0.799 175.689 176.600 -0.188 0.000 1.043 234 K CA 1.049 57.185 56.287 -0.253 0.000 0.761 234 K CB -1.485 30.911 32.500 -0.173 0.000 1.230 234 K HN 0.556 nan 8.250 nan 0.000 0.485 235 D N -1.636 118.637 120.400 -0.211 0.000 2.470 235 D HA 0.223 4.865 4.640 0.003 0.000 0.233 235 D C -2.211 174.051 176.300 -0.063 0.000 1.372 235 D CA -2.113 51.822 54.000 -0.109 0.000 0.994 235 D CB 1.598 42.356 40.800 -0.070 0.000 1.377 235 D HN -0.288 nan 8.370 nan 0.000 0.586 236 P HA -0.131 nan 4.420 nan 0.000 0.219 236 P C 1.283 178.602 177.300 0.033 0.000 1.146 236 P CA 1.044 64.130 63.100 -0.024 0.000 0.808 236 P CB 0.237 31.910 31.700 -0.044 0.000 0.779 237 S N -0.909 114.817 115.700 0.044 0.000 2.481 237 S HA 0.003 4.474 4.470 0.003 0.000 0.231 237 S C 1.935 176.625 174.600 0.150 0.000 0.996 237 S CA 0.805 59.050 58.200 0.076 0.000 0.942 237 S CB -1.039 62.193 63.200 0.053 0.000 0.768 237 S HN 0.108 nan 8.310 nan 0.000 0.520 238 A N 1.214 124.157 122.820 0.205 0.000 2.119 238 A HA 0.247 4.569 4.320 0.003 0.000 0.216 238 A C 2.195 180.112 177.584 0.555 0.000 1.152 238 A CA 0.899 53.168 52.037 0.386 0.000 0.708 238 A CB -0.795 18.406 19.000 0.335 0.000 0.805 238 A HN 0.433 nan 8.150 nan 0.000 0.460 239 V N 0.103 120.283 119.914 0.443 0.000 2.324 239 V HA -0.334 3.787 4.120 0.003 0.000 0.250 239 V C 2.977 179.299 176.094 0.379 0.000 1.060 239 V CA 2.022 64.515 62.300 0.322 0.000 1.042 239 V CB -1.162 30.690 31.823 0.048 0.000 0.650 239 V HN 0.603 nan 8.190 nan 0.000 0.450 240 A N -0.765 122.236 122.820 0.301 0.000 2.125 240 A HA -0.187 4.135 4.320 0.003 0.000 0.219 240 A C 2.207 180.015 177.584 0.374 0.000 1.156 240 A CA 1.506 53.725 52.037 0.303 0.000 0.671 240 A CB -0.376 18.737 19.000 0.188 0.000 0.794 240 A HN 0.597 nan 8.150 nan 0.000 0.459 241 K N -1.486 119.137 120.400 0.372 0.000 2.361 241 K HA 0.043 4.365 4.320 0.003 0.000 0.196 241 K C 0.690 177.491 176.600 0.335 0.000 1.039 241 K CA 0.749 57.235 56.287 0.332 0.000 1.001 241 K CB 0.046 32.695 32.500 0.248 0.000 0.795 241 K HN 0.622 nan 8.250 nan 0.000 0.495 242 H N -1.655 117.634 119.070 0.364 0.000 3.233 242 H HA 0.199 4.757 4.556 0.003 0.000 0.263 242 H C -0.694 174.592 175.328 -0.069 0.000 1.168 242 H CA -0.001 56.103 56.048 0.093 0.000 1.159 242 H CB 0.694 30.257 29.762 -0.332 0.000 1.593 242 H HN -0.054 nan 8.280 nan 0.000 0.580 243 F N 1.533 121.659 119.950 0.294 0.000 2.561 243 F HA 0.363 4.892 4.527 0.003 0.000 0.313 243 F C 0.043 175.993 175.800 0.250 0.000 1.126 243 F CA -1.165 57.012 58.000 0.296 0.000 0.918 243 F CB 2.131 41.349 39.000 0.364 0.000 1.199 243 F HN -0.229 nan 8.300 nan 0.000 0.444 244 V N 0.155 120.247 119.914 0.297 0.000 3.126 244 V HA 1.027 5.148 4.120 0.003 0.000 0.314 244 V C -1.103 175.089 176.094 0.164 0.000 1.138 244 V CA -1.105 61.306 62.300 0.184 0.000 1.034 244 V CB 1.630 33.462 31.823 0.016 0.000 1.075 244 V HN 0.962 nan 8.190 nan 0.000 0.442 245 A N 2.552 125.447 122.820 0.125 0.000 2.371 245 A HA 0.866 5.188 4.320 0.003 0.000 0.311 245 A C -0.836 176.849 177.584 0.168 0.000 1.068 245 A CA -0.760 51.352 52.037 0.124 0.000 0.744 245 A CB 1.371 20.277 19.000 -0.156 0.000 1.239 245 A HN 1.090 nan 8.150 nan 0.000 0.435 246 L N 2.297 123.637 121.223 0.195 0.000 2.297 246 L HA 0.677 5.019 4.340 0.003 0.000 0.277 246 L C 0.231 177.300 176.870 0.332 0.000 1.040 246 L CA -0.153 54.833 54.840 0.245 0.000 0.867 246 L CB 0.522 42.662 42.059 0.135 0.000 1.244 246 L HN 0.666 nan 8.230 nan 0.000 0.433 247 S N 0.404 116.191 115.700 0.144 0.000 2.636 247 S HA 0.454 4.926 4.470 0.003 0.000 0.266 247 S C 0.288 174.725 174.600 -0.273 0.000 1.147 247 S CA 0.160 58.320 58.200 -0.066 0.000 0.815 247 S CB 1.753 64.939 63.200 -0.023 0.000 1.119 247 S HN 0.638 nan 8.310 nan 0.000 0.470 248 T N -0.624 113.732 114.554 -0.330 0.000 3.040 248 T HA 0.315 4.667 4.350 0.003 0.000 0.266 248 T C 0.233 174.809 174.700 -0.206 0.000 1.005 248 T CA -0.147 61.771 62.100 -0.304 0.000 0.906 248 T CB -0.287 68.360 68.868 -0.368 0.000 1.082 248 T HN 0.357 nan 8.240 nan 0.000 0.531 249 N N 2.533 121.124 118.700 -0.181 0.000 2.968 249 N HA 0.165 4.907 4.740 0.003 0.000 0.271 249 N C 0.959 176.364 175.510 -0.176 0.000 1.174 249 N CA 0.079 53.051 53.050 -0.130 0.000 1.096 249 N CB 0.362 38.823 38.487 -0.043 0.000 1.403 249 N HN 0.256 nan 8.380 nan 0.000 0.522 250 T N 0.741 115.204 114.554 -0.151 0.000 2.624 250 T HA -0.229 4.123 4.350 0.003 0.000 0.268 250 T C 1.819 176.448 174.700 -0.119 0.000 1.041 250 T CA 1.965 63.978 62.100 -0.145 0.000 1.159 250 T CB -0.175 68.632 68.868 -0.102 0.000 0.863 250 T HN 0.565 nan 8.240 nan 0.000 0.434 251 A N 1.774 124.549 122.820 -0.074 0.000 1.883 251 A HA -0.143 4.179 4.320 0.003 0.000 0.217 251 A C 2.343 179.913 177.584 -0.023 0.000 1.186 251 A CA 1.414 53.427 52.037 -0.039 0.000 0.624 251 A CB -0.369 18.621 19.000 -0.017 0.000 0.822 251 A HN 0.309 nan 8.150 nan 0.000 0.444 252 K N -0.372 120.018 120.400 -0.017 0.000 2.097 252 K HA -0.020 4.302 4.320 0.003 0.000 0.205 252 K C 2.004 178.607 176.600 0.005 0.000 1.050 252 K CA 1.169 57.498 56.287 0.070 0.000 0.938 252 K CB -0.529 32.079 32.500 0.179 0.000 0.718 252 K HN 0.355 nan 8.250 nan 0.000 0.442 253 V N 1.800 121.524 119.914 -0.317 0.000 2.295 253 V HA -0.237 3.885 4.120 0.003 0.000 0.246 253 V C 2.470 178.488 176.094 -0.127 0.000 1.049 253 V CA 1.638 63.608 62.300 -0.549 0.000 1.024 253 V CB -0.347 31.078 31.823 -0.662 0.000 0.648 253 V HN 0.319 nan 8.190 nan 0.000 0.447 254 K N -0.341 120.011 120.400 -0.080 0.000 2.032 254 K HA -0.248 4.074 4.320 0.003 0.000 0.209 254 K C 2.232 178.855 176.600 0.038 0.000 1.048 254 K CA 1.943 58.222 56.287 -0.013 0.000 0.927 254 K CB -0.147 32.338 32.500 -0.025 0.000 0.712 254 K HN 0.505 nan 8.250 nan 0.000 0.441 255 E N -0.538 119.695 120.200 0.056 0.000 2.153 255 E HA -0.193 4.159 4.350 0.003 0.000 0.194 255 E C 1.680 178.343 176.600 0.106 0.000 0.988 255 E CA 0.936 57.380 56.400 0.072 0.000 0.811 255 E CB -0.083 29.667 29.700 0.083 0.000 0.746 255 E HN 0.258 nan 8.360 nan 0.000 0.466 256 F N -0.503 119.467 119.950 0.034 0.000 2.234 256 F HA -0.041 4.487 4.527 0.003 0.000 0.299 256 F C 1.452 177.237 175.800 -0.025 0.000 1.087 256 F CA 1.596 59.623 58.000 0.044 0.000 1.340 256 F CB 0.425 39.547 39.000 0.204 0.000 1.031 256 F HN 0.112 nan 8.300 nan 0.000 0.500 257 G N 0.411 109.272 108.800 0.102 0.000 2.183 257 G HA2 -0.177 3.785 3.960 0.003 0.000 0.168 257 G HA3 -0.177 3.785 3.960 0.003 0.000 0.168 257 G C 0.125 175.108 174.900 0.139 0.000 1.008 257 G CA -0.082 45.037 45.100 0.031 0.000 0.677 257 G HN 0.266 nan 8.290 nan 0.000 0.498 258 I N 1.740 122.440 120.570 0.218 0.000 2.474 258 I HA 0.241 4.412 4.170 0.003 0.000 0.287 258 I C 0.318 176.496 176.117 0.102 0.000 1.048 258 I CA -0.622 60.802 61.300 0.206 0.000 1.383 258 I CB 0.985 39.099 38.000 0.190 0.000 1.412 258 I HN 0.044 nan 8.210 nan 0.000 0.531 259 D N 9.289 129.758 120.400 0.116 0.000 2.412 259 D HA 0.023 4.665 4.640 0.003 0.000 0.257 259 D C -1.424 174.878 176.300 0.003 0.000 1.217 259 D CA -1.829 52.207 54.000 0.061 0.000 0.897 259 D CB 1.148 42.001 40.800 0.087 0.000 1.132 259 D HN 0.245 nan 8.370 nan 0.000 0.493 260 P HA -0.159 nan 4.420 nan 0.000 0.226 260 P C 1.010 178.237 177.300 -0.122 0.000 1.146 260 P CA 0.923 63.967 63.100 -0.093 0.000 0.773 260 P CB 0.346 31.997 31.700 -0.081 0.000 0.772 261 Q N -0.373 119.375 119.800 -0.087 0.000 2.291 261 Q HA -0.045 4.297 4.340 0.003 0.000 0.205 261 Q C 0.816 176.682 176.000 -0.224 0.000 0.970 261 Q CA 0.830 56.564 55.803 -0.114 0.000 0.876 261 Q CB -0.258 28.455 28.738 -0.040 0.000 0.935 261 Q HN 0.312 nan 8.270 nan 0.000 0.455 262 N N -0.029 118.568 118.700 -0.171 0.000 2.451 262 N HA 0.111 4.853 4.740 0.003 0.000 0.264 262 N C -0.769 174.533 175.510 -0.346 0.000 1.167 262 N CA 0.141 53.026 53.050 -0.276 0.000 0.898 262 N CB 0.422 38.969 38.487 0.100 0.000 1.176 262 N HN 0.253 nan 8.380 nan 0.000 0.507 263 M N 0.804 120.144 119.600 -0.433 0.000 2.149 263 M HA 0.365 4.846 4.480 0.003 0.000 0.342 263 M C -1.419 174.615 176.300 -0.442 0.000 1.068 263 M CA -0.586 54.527 55.300 -0.312 0.000 0.991 263 M CB 0.568 33.020 32.600 -0.248 0.000 1.596 263 M HN -0.144 nan 8.290 nan 0.000 0.439 264 F N 3.471 123.344 119.950 -0.129 0.000 2.361 264 F HA 0.387 4.916 4.527 0.004 0.000 0.364 264 F C 0.206 175.959 175.800 -0.079 0.000 1.117 264 F CA -0.579 57.362 58.000 -0.099 0.000 1.071 264 F CB 0.920 39.851 39.000 -0.115 0.000 1.188 264 F HN 0.536 nan 8.300 nan 0.000 0.464 265 E N 3.651 123.825 120.200 -0.043 0.000 2.319 265 E HA 0.571 4.923 4.350 0.003 0.000 0.268 265 E C -0.803 175.461 176.600 -0.559 0.000 1.050 265 E CA -0.457 55.757 56.400 -0.309 0.000 0.878 265 E CB 1.318 30.799 29.700 -0.365 0.000 1.066 265 E HN 0.513 nan 8.360 nan 0.000 0.406 266 F N -1.491 117.828 119.950 -1.053 0.000 2.754 266 F HA 0.674 5.203 4.527 0.004 0.000 0.320 266 F C -1.194 173.771 175.800 -1.392 0.000 1.156 266 F CA -1.206 55.870 58.000 -1.540 0.000 0.950 266 F CB 1.201 39.818 39.000 -0.638 0.000 1.388 266 F HN 0.305 nan 8.300 nan 0.000 0.485 267 W N 0.968 122.013 121.300 -0.424 0.000 2.820 267 W HA 0.216 4.878 4.660 0.003 0.000 0.350 267 W C 0.060 176.219 176.519 -0.600 0.000 1.116 267 W CA -0.377 56.526 57.345 -0.737 0.000 1.146 267 W CB 1.432 30.052 29.460 -1.399 0.000 1.433 267 W HN 0.740 nan 8.180 nan 0.000 0.561 268 D N -0.788 119.474 120.400 -0.230 0.000 2.309 268 D HA -0.196 4.446 4.640 0.003 0.000 0.212 268 D C 1.447 177.791 176.300 0.073 0.000 0.968 268 D CA 1.039 55.005 54.000 -0.056 0.000 0.882 268 D CB -0.516 40.293 40.800 0.015 0.000 0.918 268 D HN 0.516 nan 8.370 nan 0.000 0.503 269 W N 0.483 121.899 121.300 0.194 0.000 3.256 269 W HA 0.346 5.007 4.660 0.003 0.000 0.269 269 W C -0.606 176.014 176.519 0.168 0.000 1.310 269 W CA -0.622 56.794 57.345 0.118 0.000 1.673 269 W CB -0.397 29.087 29.460 0.041 0.000 1.115 269 W HN -0.245 nan 8.180 nan 0.000 0.686 270 V N 2.677 122.750 119.914 0.264 0.000 2.334 270 V HA 0.443 4.565 4.120 0.003 0.000 0.267 270 V C 0.989 177.275 176.094 0.320 0.000 1.040 270 V CA -0.611 61.899 62.300 0.349 0.000 0.866 270 V CB 0.263 32.281 31.823 0.325 0.000 1.019 270 V HN 0.125 nan 8.190 nan 0.000 0.468 271 G N 3.259 112.283 108.800 0.372 0.000 2.442 271 G HA2 0.390 4.352 3.960 0.003 0.000 0.249 271 G HA3 0.390 4.352 3.960 0.003 0.000 0.249 271 G C 1.136 176.202 174.900 0.277 0.000 1.263 271 G CA 0.180 45.496 45.100 0.360 0.000 0.846 271 G HN 0.878 nan 8.290 nan 0.000 0.555 272 G N 1.783 110.682 108.800 0.165 0.000 2.505 272 G HA2 -0.287 3.675 3.960 0.003 0.000 0.220 272 G HA3 -0.287 3.675 3.960 0.003 0.000 0.220 272 G C 1.646 176.531 174.900 -0.025 0.000 1.145 272 G CA 0.969 46.105 45.100 0.060 0.000 0.761 272 G HN 0.785 nan 8.290 nan 0.000 0.571 273 R N -0.938 119.511 120.500 -0.086 0.000 2.319 273 R HA 0.183 4.525 4.340 0.003 0.000 0.204 273 R C 0.246 176.241 176.300 -0.508 0.000 0.954 273 R CA 0.332 56.220 56.100 -0.353 0.000 1.066 273 R CB -0.218 29.793 30.300 -0.482 0.000 0.991 273 R HN 0.454 nan 8.270 nan 0.000 0.486 274 Y N 0.552 120.872 120.300 0.034 0.000 2.715 274 Y HA 0.198 4.750 4.550 0.004 0.000 0.255 274 Y C 1.126 177.171 175.900 0.242 0.000 1.139 274 Y CA -0.443 57.720 58.100 0.104 0.000 1.151 274 Y CB 1.275 39.669 38.460 -0.109 0.000 1.201 274 Y HN 0.186 nan 8.280 nan 0.000 0.556 275 S N -0.827 114.969 115.700 0.161 0.000 2.540 275 S HA -0.003 4.469 4.470 0.003 0.000 0.218 275 S C 1.527 176.077 174.600 -0.083 0.000 0.977 275 S CA -0.048 58.187 58.200 0.058 0.000 0.918 275 S CB -0.525 62.603 63.200 -0.120 0.000 0.806 275 S HN 0.461 nan 8.310 nan 0.000 0.496 276 L N -1.820 119.236 121.223 -0.278 0.000 2.362 276 L HA 0.349 4.691 4.340 0.003 0.000 0.219 276 L C 1.743 178.460 176.870 -0.256 0.000 1.134 276 L CA 0.810 55.411 54.840 -0.400 0.000 0.807 276 L CB -1.396 40.282 42.059 -0.634 0.000 0.927 276 L HN 0.344 nan 8.230 nan 0.000 0.447 277 W N 0.797 122.163 121.300 0.110 0.000 2.800 277 W HA 0.228 4.889 4.660 0.003 0.000 0.249 277 W C 1.743 178.411 176.519 0.247 0.000 1.294 277 W CA 0.277 57.694 57.345 0.119 0.000 1.402 277 W CB -0.589 28.926 29.460 0.092 0.000 1.126 277 W HN 0.340 nan 8.180 nan 0.000 0.652 278 S N 0.184 116.096 115.700 0.353 0.000 2.623 278 S HA 0.669 5.141 4.470 0.003 0.000 0.287 278 S C 1.614 176.300 174.600 0.144 0.000 1.123 278 S CA -0.125 58.238 58.200 0.272 0.000 1.016 278 S CB 0.649 63.913 63.200 0.106 0.000 1.233 278 S HN 0.019 nan 8.310 nan 0.000 0.512 279 A N 0.336 123.179 122.820 0.037 0.000 2.042 279 A HA -0.066 4.255 4.320 0.003 0.000 0.222 279 A C 2.061 179.517 177.584 -0.212 0.000 1.167 279 A CA 1.515 53.521 52.037 -0.051 0.000 0.649 279 A CB -1.202 17.837 19.000 0.065 0.000 0.809 279 A HN 0.723 nan 8.150 nan 0.000 0.457 280 I N -0.067 120.295 120.570 -0.346 0.000 2.423 280 I HA -0.207 3.965 4.170 0.003 0.000 0.254 280 I C 2.321 178.314 176.117 -0.207 0.000 1.151 280 I CA 1.486 62.585 61.300 -0.335 0.000 1.421 280 I CB -1.711 36.021 38.000 -0.447 0.000 1.079 280 I HN 0.377 nan 8.210 nan 0.000 0.431 281 G N 0.244 108.953 108.800 -0.151 0.000 3.061 281 G HA2 -0.036 3.926 3.960 0.003 0.000 0.208 281 G HA3 -0.036 3.926 3.960 0.003 0.000 0.208 281 G C 1.560 176.221 174.900 -0.399 0.000 1.175 281 G CA -0.166 44.844 45.100 -0.150 0.000 0.812 281 G HN 0.273 nan 8.290 nan 0.000 0.523 282 L N 1.979 122.978 121.223 -0.374 0.000 2.043 282 L HA -0.154 4.188 4.340 0.003 0.000 0.212 282 L C 3.015 179.708 176.870 -0.295 0.000 1.075 282 L CA 2.642 57.227 54.840 -0.425 0.000 0.752 282 L CB -0.595 41.150 42.059 -0.523 0.000 0.891 282 L HN 0.308 nan 8.230 nan 0.000 0.432 283 S N -1.079 114.500 115.700 -0.201 0.000 2.399 283 S HA -0.170 4.302 4.470 0.003 0.000 0.231 283 S C 2.034 176.606 174.600 -0.045 0.000 1.022 283 S CA 1.413 59.538 58.200 -0.125 0.000 0.983 283 S CB -0.989 62.143 63.200 -0.114 0.000 0.803 283 S HN 0.537 nan 8.310 nan 0.000 0.480 284 I N 2.387 122.922 120.570 -0.058 0.000 2.142 284 I HA -0.139 4.033 4.170 0.003 0.000 0.240 284 I C 3.114 179.233 176.117 0.003 0.000 1.078 284 I CA 1.241 62.556 61.300 0.025 0.000 1.343 284 I CB -0.749 37.296 38.000 0.075 0.000 1.046 284 I HN 0.412 nan 8.210 nan 0.000 0.405 285 A N 0.869 123.549 122.820 -0.233 0.000 1.933 285 A HA -0.150 4.172 4.320 0.003 0.000 0.218 285 A C 2.313 179.894 177.584 -0.006 0.000 1.175 285 A CA 1.418 53.358 52.037 -0.163 0.000 0.628 285 A CB -0.859 17.913 19.000 -0.380 0.000 0.814 285 A HN 0.382 nan 8.150 nan 0.000 0.444 286 L N -1.781 119.421 121.223 -0.036 0.000 2.046 286 L HA -0.196 4.146 4.340 0.003 0.000 0.208 286 L C 2.668 179.572 176.870 0.057 0.000 1.077 286 L CA 1.710 56.543 54.840 -0.013 0.000 0.747 286 L CB -0.521 41.504 42.059 -0.057 0.000 0.896 286 L HN 0.564 nan 8.230 nan 0.000 0.432 287 H N -0.340 118.713 119.070 -0.029 0.000 2.333 287 H HA -0.088 4.469 4.556 0.003 0.000 0.302 287 H C 1.800 177.156 175.328 0.048 0.000 1.075 287 H CA 1.906 57.953 56.048 -0.002 0.000 1.348 287 H CB 0.182 29.949 29.762 0.008 0.000 1.393 287 H HN 0.176 nan 8.280 nan 0.000 0.509 288 V N -2.991 116.973 119.914 0.084 0.000 3.578 288 V HA 0.496 4.618 4.120 0.003 0.000 0.290 288 V C 0.845 177.071 176.094 0.219 0.000 1.376 288 V CA 0.447 62.822 62.300 0.125 0.000 1.083 288 V CB -0.261 31.658 31.823 0.160 0.000 0.911 288 V HN 0.679 nan 8.190 nan 0.000 0.433 289 G N -0.045 108.832 108.800 0.128 0.000 2.692 289 G HA2 -0.221 3.741 3.960 0.003 0.000 0.686 289 G HA3 -0.221 3.741 3.960 0.003 0.000 0.686 289 G C -0.407 174.585 174.900 0.154 0.000 1.243 289 G CA -0.026 45.137 45.100 0.106 0.000 0.782 289 G HN 0.399 nan 8.290 nan 0.000 0.625 290 F N 0.792 120.769 119.950 0.045 0.000 2.234 290 F HA 0.006 4.535 4.527 0.004 0.000 0.299 290 F C 2.328 178.211 175.800 0.138 0.000 1.087 290 F CA 2.270 60.339 58.000 0.115 0.000 1.340 290 F CB 0.100 39.152 39.000 0.087 0.000 1.031 290 F HN 0.537 nan 8.300 nan 0.000 0.500 291 D N -0.488 119.982 120.400 0.117 0.000 2.116 291 D HA -0.236 4.406 4.640 0.003 0.000 0.193 291 D C 2.053 178.316 176.300 -0.062 0.000 0.998 291 D CA 2.009 56.000 54.000 -0.015 0.000 0.836 291 D CB -0.685 40.043 40.800 -0.120 0.000 0.951 291 D HN 0.485 nan 8.370 nan 0.000 0.449 292 H N -1.334 117.741 119.070 0.008 0.000 2.423 292 H HA -0.062 4.496 4.556 0.004 0.000 0.297 292 H C 1.819 177.115 175.328 -0.053 0.000 1.075 292 H CA 0.573 56.592 56.048 -0.049 0.000 1.342 292 H CB -0.044 29.688 29.762 -0.050 0.000 1.395 292 H HN 0.065 nan 8.280 nan 0.000 0.530 293 F N 1.975 121.861 119.950 -0.106 0.000 2.134 293 F HA -0.164 4.365 4.527 0.003 0.000 0.299 293 F C 2.043 177.697 175.800 -0.244 0.000 1.097 293 F CA 1.435 59.307 58.000 -0.214 0.000 1.264 293 F CB -0.062 38.728 39.000 -0.351 0.000 1.001 293 F HN 0.104 nan 8.300 nan 0.000 0.479 294 E N -0.416 119.592 120.200 -0.321 0.000 2.110 294 E HA -0.256 4.096 4.350 0.003 0.000 0.193 294 E C 2.147 178.659 176.600 -0.148 0.000 0.988 294 E CA 1.350 57.586 56.400 -0.274 0.000 0.804 294 E CB -0.234 29.377 29.700 -0.149 0.000 0.745 294 E HN 0.605 nan 8.360 nan 0.000 0.458 295 Q N 0.423 120.177 119.800 -0.076 0.000 2.084 295 Q HA -0.167 4.175 4.340 0.003 0.000 0.202 295 Q C 2.328 178.300 176.000 -0.047 0.000 0.978 295 Q CA 0.902 56.707 55.803 0.002 0.000 0.844 295 Q CB -0.137 28.623 28.738 0.037 0.000 0.898 295 Q HN 0.182 nan 8.270 nan 0.000 0.426 296 L N 0.712 121.863 121.223 -0.119 0.000 2.013 296 L HA -0.226 4.116 4.340 0.003 0.000 0.212 296 L C 1.961 178.788 176.870 -0.072 0.000 1.073 296 L CA 1.700 56.469 54.840 -0.118 0.000 0.753 296 L CB -0.378 41.580 42.059 -0.169 0.000 0.890 296 L HN 0.218 nan 8.230 nan 0.000 0.432 297 L N -1.313 119.800 121.223 -0.184 0.000 2.083 297 L HA -0.202 4.140 4.340 0.003 0.000 0.209 297 L C 2.458 179.263 176.870 -0.109 0.000 1.083 297 L CA 1.393 56.156 54.840 -0.128 0.000 0.752 297 L CB -0.670 41.259 42.059 -0.217 0.000 0.899 297 L HN 0.257 nan 8.230 nan 0.000 0.433 298 S N -0.039 115.608 115.700 -0.088 0.000 2.402 298 S HA -0.092 4.380 4.470 0.003 0.000 0.229 298 S C 2.005 176.473 174.600 -0.221 0.000 1.021 298 S CA 1.089 59.297 58.200 0.014 0.000 0.974 298 S CB -0.413 62.886 63.200 0.164 0.000 0.800 298 S HN 0.609 nan 8.310 nan 0.000 0.484 299 G N 1.438 109.804 108.800 -0.724 0.000 2.402 299 G HA2 0.002 3.964 3.960 0.003 0.000 0.216 299 G HA3 0.002 3.964 3.960 0.003 0.000 0.216 299 G C 1.578 176.210 174.900 -0.447 0.000 1.162 299 G CA 0.762 45.052 45.100 -1.350 0.000 0.777 299 G HN 0.554 nan 8.290 nan 0.000 0.539 300 A N 0.517 123.177 122.820 -0.267 0.000 1.908 300 A HA -0.157 4.165 4.320 0.003 0.000 0.218 300 A C 2.130 179.658 177.584 -0.093 0.000 1.181 300 A CA 2.207 54.090 52.037 -0.257 0.000 0.627 300 A CB -0.866 17.697 19.000 -0.728 0.000 0.818 300 A HN 0.500 nan 8.150 nan 0.000 0.445 301 H N -2.231 116.758 119.070 -0.136 0.000 2.352 301 H HA -0.210 4.348 4.556 0.003 0.000 0.299 301 H C 1.743 177.124 175.328 0.087 0.000 1.097 301 H CA 2.104 58.140 56.048 -0.020 0.000 1.311 301 H CB -0.468 29.294 29.762 -0.000 0.000 1.377 301 H HN 0.695 nan 8.280 nan 0.000 0.504 302 W N 0.092 121.349 121.300 -0.073 0.000 2.335 302 W HA -0.280 4.382 4.660 0.003 0.000 0.311 302 W C 2.378 178.899 176.519 0.004 0.000 1.213 302 W CA 2.012 59.348 57.345 -0.014 0.000 1.274 302 W CB -0.316 29.213 29.460 0.115 0.000 1.148 302 W HN 0.289 nan 8.180 nan 0.000 0.498 303 M N 0.966 120.781 119.600 0.357 0.000 2.175 303 M HA -0.165 4.317 4.480 0.003 0.000 0.264 303 M C 1.428 177.878 176.300 0.250 0.000 1.063 303 M CA 2.028 57.526 55.300 0.330 0.000 1.119 303 M CB -0.890 31.891 32.600 0.301 0.000 1.377 303 M HN -0.119 nan 8.290 nan 0.000 0.415 304 D N -0.241 120.290 120.400 0.220 0.000 2.104 304 D HA -0.199 4.443 4.640 0.003 0.000 0.194 304 D C 1.999 178.356 176.300 0.095 0.000 0.994 304 D CA 1.241 55.446 54.000 0.341 0.000 0.830 304 D CB -0.325 40.641 40.800 0.276 0.000 0.959 304 D HN 0.429 nan 8.370 nan 0.000 0.452 305 Q N -0.171 119.518 119.800 -0.185 0.000 2.079 305 Q HA -0.142 4.200 4.340 0.003 0.000 0.200 305 Q C 2.162 177.942 176.000 -0.366 0.000 0.974 305 Q CA 0.843 56.438 55.803 -0.346 0.000 0.840 305 Q CB -0.747 27.707 28.738 -0.473 0.000 0.898 305 Q HN 0.610 nan 8.270 nan 0.000 0.430 306 H N -0.077 118.681 119.070 -0.520 0.000 2.319 306 H HA -0.187 4.371 4.556 0.004 0.000 0.297 306 H C 1.917 177.149 175.328 -0.159 0.000 1.097 306 H CA 1.732 57.526 56.048 -0.423 0.000 1.285 306 H CB -0.228 29.266 29.762 -0.448 0.000 1.368 306 H HN 0.185 nan 8.280 nan 0.000 0.495 307 F N 1.123 120.948 119.950 -0.209 0.000 2.134 307 F HA -0.161 4.368 4.527 0.004 0.000 0.299 307 F C 2.438 177.995 175.800 -0.406 0.000 1.097 307 F CA 1.151 59.005 58.000 -0.244 0.000 1.264 307 F CB -0.851 38.026 39.000 -0.204 0.000 1.001 307 F HN 0.208 nan 8.300 nan 0.000 0.479 308 L N 0.439 121.289 121.223 -0.623 0.000 2.072 308 L HA -0.105 4.237 4.340 0.003 0.000 0.205 308 L C 2.107 178.618 176.870 -0.598 0.000 1.079 308 L CA 1.907 56.224 54.840 -0.871 0.000 0.752 308 L CB -0.655 40.816 42.059 -0.980 0.000 0.906 308 L HN 0.033 nan 8.230 nan 0.000 0.436 309 K N -1.797 118.322 120.400 -0.469 0.000 2.334 309 K HA 0.148 4.470 4.320 0.003 0.000 0.195 309 K C 0.187 176.587 176.600 -0.333 0.000 1.045 309 K CA 0.201 56.269 56.287 -0.366 0.000 1.004 309 K CB 0.275 32.587 32.500 -0.314 0.000 0.837 309 K HN 0.211 nan 8.250 nan 0.000 0.510 310 T N 3.579 117.893 114.554 -0.400 0.000 2.817 310 T HA 0.213 4.564 4.350 0.003 0.000 0.293 310 T C -2.575 171.962 174.700 -0.272 0.000 0.964 310 T CA -1.582 60.303 62.100 -0.358 0.000 1.085 310 T CB 1.285 69.808 68.868 -0.576 0.000 0.921 310 T HN -0.126 nan 8.240 nan 0.000 0.502 311 P HA 0.082 nan 4.420 nan 0.000 0.264 311 P C 1.047 178.262 177.300 -0.141 0.000 1.183 311 P CA -0.040 62.966 63.100 -0.157 0.000 0.763 311 P CB 0.430 32.057 31.700 -0.122 0.000 0.807 312 L N 2.524 123.670 121.223 -0.129 0.000 2.081 312 L HA -0.230 4.112 4.340 0.003 0.000 0.212 312 L C 2.282 179.096 176.870 -0.092 0.000 1.080 312 L CA 1.696 56.474 54.840 -0.103 0.000 0.754 312 L CB -0.824 41.176 42.059 -0.099 0.000 0.893 312 L HN 0.551 nan 8.230 nan 0.000 0.433 313 E N 0.797 120.939 120.200 -0.097 0.000 2.333 313 E HA -0.204 4.148 4.350 0.003 0.000 0.198 313 E C 0.804 177.361 176.600 -0.072 0.000 1.007 313 E CA 1.083 57.425 56.400 -0.097 0.000 0.845 313 E CB -0.046 29.594 29.700 -0.100 0.000 0.766 313 E HN 0.496 nan 8.360 nan 0.000 0.507 314 K N 0.724 121.093 120.400 -0.052 0.000 2.592 314 K HA 0.173 4.495 4.320 0.003 0.000 0.203 314 K C -0.062 176.568 176.600 0.050 0.000 1.070 314 K CA -0.327 55.964 56.287 0.005 0.000 1.062 314 K CB 0.372 32.873 32.500 0.002 0.000 0.814 314 K HN -0.057 nan 8.250 nan 0.000 0.502 315 N N 1.414 120.121 118.700 0.012 0.000 2.457 315 N HA 0.204 4.945 4.740 0.003 0.000 0.250 315 N C 0.613 176.241 175.510 0.196 0.000 0.982 315 N CA 0.116 53.194 53.050 0.047 0.000 0.941 315 N CB 1.656 40.121 38.487 -0.038 0.000 1.120 315 N HN 0.096 nan 8.380 nan 0.000 0.505 316 A N 6.775 129.876 122.820 0.467 0.000 1.851 316 A HA -0.056 4.265 4.320 0.003 0.000 0.216 316 A C -0.598 177.030 177.584 0.073 0.000 1.195 316 A CA 1.359 53.520 52.037 0.206 0.000 0.622 316 A CB -1.281 17.793 19.000 0.125 0.000 0.831 316 A HN 0.638 nan 8.150 nan 0.000 0.444 317 P HA -0.080 nan 4.420 nan 0.000 0.218 317 P C 1.625 178.906 177.300 -0.031 0.000 1.149 317 P CA 1.441 64.516 63.100 -0.042 0.000 0.817 317 P CB -0.285 31.337 31.700 -0.130 0.000 0.785 318 V N 0.496 120.440 119.914 0.049 0.000 2.295 318 V HA -0.221 3.901 4.120 0.003 0.000 0.246 318 V C 2.804 178.860 176.094 -0.063 0.000 1.049 318 V CA 1.602 63.918 62.300 0.027 0.000 1.024 318 V CB -1.280 30.584 31.823 0.068 0.000 0.648 318 V HN 0.019 nan 8.190 nan 0.000 0.447 319 L N -0.816 120.347 121.223 -0.100 0.000 2.046 319 L HA -0.171 4.171 4.340 0.003 0.000 0.208 319 L C 2.435 179.192 176.870 -0.189 0.000 1.077 319 L CA 1.463 56.169 54.840 -0.223 0.000 0.747 319 L CB -0.524 41.300 42.059 -0.392 0.000 0.896 319 L HN 0.311 nan 8.230 nan 0.000 0.432 320 L N -0.402 120.751 121.223 -0.117 0.000 2.083 320 L HA -0.193 4.148 4.340 0.003 0.000 0.209 320 L C 2.883 179.733 176.870 -0.034 0.000 1.083 320 L CA 1.118 55.928 54.840 -0.049 0.000 0.752 320 L CB -0.689 41.331 42.059 -0.065 0.000 0.899 320 L HN 0.245 nan 8.230 nan 0.000 0.433 321 A N 0.143 122.922 122.820 -0.069 0.000 1.902 321 A HA -0.158 4.164 4.320 0.003 0.000 0.217 321 A C 2.237 179.768 177.584 -0.089 0.000 1.181 321 A CA 1.360 53.342 52.037 -0.092 0.000 0.623 321 A CB -0.637 18.291 19.000 -0.119 0.000 0.818 321 A HN 0.353 nan 8.150 nan 0.000 0.443 322 L N -0.731 120.439 121.223 -0.088 0.000 2.093 322 L HA -0.159 4.183 4.340 0.003 0.000 0.208 322 L C 2.547 179.407 176.870 -0.016 0.000 1.085 322 L CA 0.912 55.707 54.840 -0.075 0.000 0.755 322 L CB -0.546 41.443 42.059 -0.117 0.000 0.904 322 L HN 0.368 nan 8.230 nan 0.000 0.435 323 L N -0.440 120.776 121.223 -0.013 0.000 2.046 323 L HA -0.152 4.190 4.340 0.003 0.000 0.208 323 L C 2.689 179.649 176.870 0.149 0.000 1.077 323 L CA 1.456 56.326 54.840 0.051 0.000 0.747 323 L CB -1.148 40.999 42.059 0.148 0.000 0.896 323 L HN 0.312 nan 8.230 nan 0.000 0.432 324 G N 0.318 109.226 108.800 0.180 0.000 2.418 324 G HA2 -0.226 3.736 3.960 0.003 0.000 0.217 324 G HA3 -0.226 3.736 3.960 0.003 0.000 0.217 324 G C 1.518 176.584 174.900 0.278 0.000 1.158 324 G CA 0.546 45.794 45.100 0.247 0.000 0.771 324 G HN 0.158 nan 8.290 nan 0.000 0.545 325 I N -0.011 120.668 120.570 0.181 0.000 2.151 325 I HA -0.186 3.986 4.170 0.003 0.000 0.243 325 I C 2.433 178.746 176.117 0.327 0.000 1.080 325 I CA 1.007 62.451 61.300 0.241 0.000 1.339 325 I CB -1.220 36.835 38.000 0.092 0.000 1.039 325 I HN 0.493 nan 8.210 nan 0.000 0.409 326 W N 1.288 122.597 121.300 0.015 0.000 2.335 326 W HA -0.315 4.347 4.660 0.002 0.000 0.311 326 W C 2.553 179.129 176.519 0.095 0.000 1.213 326 W CA 1.462 58.782 57.345 -0.041 0.000 1.274 326 W CB -0.402 28.910 29.460 -0.247 0.000 1.148 326 W HN 0.095 nan 8.180 nan 0.000 0.498 327 Y N 0.329 120.809 120.300 0.301 0.000 2.263 327 Y HA -0.113 4.440 4.550 0.006 0.000 0.292 327 Y C 2.442 178.451 175.900 0.182 0.000 1.130 327 Y CA 1.349 59.555 58.100 0.177 0.000 1.179 327 Y CB -1.132 37.428 38.460 0.168 0.000 0.998 327 Y HN -0.098 nan 8.280 nan 0.000 0.532 328 I N -0.155 120.637 120.570 0.370 0.000 2.235 328 I HA -0.259 3.913 4.170 0.003 0.000 0.241 328 I C 1.363 177.625 176.117 0.242 0.000 1.085 328 I CA 1.644 63.129 61.300 0.309 0.000 1.378 328 I CB -0.286 37.951 38.000 0.394 0.000 1.076 328 I HN 0.150 nan 8.210 nan 0.000 0.415 329 N N -1.054 117.815 118.700 0.283 0.000 2.392 329 N HA 0.002 4.744 4.740 0.003 0.000 0.177 329 N C 1.442 177.030 175.510 0.129 0.000 1.066 329 N CA 0.468 53.692 53.050 0.289 0.000 0.895 329 N CB 0.252 39.028 38.487 0.482 0.000 0.988 329 N HN 0.306 nan 8.380 nan 0.000 0.457 330 C N -1.241 117.995 119.300 -0.106 0.000 2.406 330 C HA 0.211 4.673 4.460 0.003 0.000 0.343 330 C C 1.829 176.284 174.990 -0.892 0.000 1.397 330 C CA -0.175 58.459 59.018 -0.640 0.000 2.069 330 C CB -0.829 26.307 27.740 -1.006 0.000 2.374 330 C HN 0.416 nan 8.230 nan 0.000 0.545 331 Y N 1.190 121.197 120.300 -0.489 0.000 2.490 331 Y HA 0.256 4.810 4.550 0.005 0.000 0.285 331 Y C 2.126 178.008 175.900 -0.029 0.000 1.117 331 Y CA 1.233 59.230 58.100 -0.171 0.000 1.262 331 Y CB -0.245 38.221 38.460 0.009 0.000 1.043 331 Y HN 0.424 nan 8.280 nan 0.000 0.553 332 G N -0.160 108.720 108.800 0.134 0.000 2.160 332 G HA2 -0.294 3.668 3.960 0.003 0.000 0.244 332 G HA3 -0.294 3.668 3.960 0.003 0.000 0.244 332 G C -0.197 174.785 174.900 0.135 0.000 1.022 332 G CA -0.073 45.097 45.100 0.117 0.000 0.741 332 G HN 0.289 nan 8.290 nan 0.000 0.508 333 C N 0.586 119.994 119.300 0.180 0.000 2.627 333 C HA 0.306 4.768 4.460 0.003 0.000 0.404 333 C C 1.825 176.902 174.990 0.146 0.000 1.340 333 C CA -0.050 59.059 59.018 0.151 0.000 1.758 333 C CB 0.317 28.150 27.740 0.154 0.000 2.501 333 C HN 0.627 nan 8.230 nan 0.000 0.588 334 E N 0.606 120.870 120.200 0.108 0.000 2.216 334 E HA -0.059 4.293 4.350 0.003 0.000 0.192 334 E C 1.140 177.819 176.600 0.131 0.000 0.988 334 E CA 0.862 57.316 56.400 0.089 0.000 0.834 334 E CB 0.307 30.032 29.700 0.042 0.000 0.772 334 E HN 0.902 nan 8.360 nan 0.000 0.479 335 T N -2.224 112.438 114.554 0.181 0.000 2.930 335 T HA 0.434 4.786 4.350 0.003 0.000 0.290 335 T C -1.052 173.849 174.700 0.335 0.000 1.052 335 T CA -0.906 61.365 62.100 0.285 0.000 1.017 335 T CB 2.179 71.271 68.868 0.375 0.000 1.137 335 T HN 0.027 nan 8.240 nan 0.000 0.511 336 H N -0.091 119.111 119.070 0.220 0.000 2.840 336 H HA 0.669 5.228 4.556 0.006 0.000 0.340 336 H C -0.822 174.414 175.328 -0.153 0.000 1.004 336 H CA -0.186 55.909 56.048 0.079 0.000 1.288 336 H CB 1.314 31.141 29.762 0.108 0.000 1.607 336 H HN 1.068 nan 8.280 nan 0.000 0.522 337 A N 5.737 128.105 122.820 -0.753 0.000 2.290 337 A HA 0.541 4.863 4.320 0.003 0.000 0.310 337 A C -0.949 176.209 177.584 -0.710 0.000 1.202 337 A CA -0.720 50.689 52.037 -1.047 0.000 0.837 337 A CB 0.405 18.642 19.000 -1.272 0.000 1.139 337 A HN 0.702 nan 8.150 nan 0.000 0.509 338 L N 3.323 124.268 121.223 -0.464 0.000 2.298 338 L HA 0.416 4.758 4.340 0.003 0.000 0.284 338 L C -0.945 175.852 176.870 -0.122 0.000 1.013 338 L CA -0.144 54.596 54.840 -0.168 0.000 0.824 338 L CB 1.077 43.147 42.059 0.019 0.000 1.221 338 L HN 0.618 nan 8.230 nan 0.000 0.418 339 L N 5.801 126.953 121.223 -0.118 0.000 2.457 339 L HA 0.382 4.724 4.340 0.003 0.000 0.252 339 L C -2.343 174.612 176.870 0.141 0.000 1.132 339 L CA -1.627 53.158 54.840 -0.092 0.000 0.938 339 L CB 1.013 42.828 42.059 -0.406 0.000 1.246 339 L HN 0.333 nan 8.230 nan 0.000 0.476 340 P HA 0.049 nan 4.420 nan 0.000 0.282 340 P C -0.878 176.583 177.300 0.269 0.000 1.262 340 P CA -0.139 63.108 63.100 0.247 0.000 0.773 340 P CB 0.569 32.336 31.700 0.112 0.000 0.879 341 Y N 2.264 122.673 120.300 0.181 0.000 2.735 341 Y HA 0.308 4.855 4.550 -0.005 0.000 0.354 341 Y C 0.316 176.278 175.900 0.103 0.000 1.288 341 Y CA 0.240 58.436 58.100 0.160 0.000 1.836 341 Y CB -0.365 38.239 38.460 0.239 0.000 1.920 341 Y HN 0.391 nan 8.280 nan 0.000 0.438 342 D N -0.453 120.035 120.400 0.148 0.000 2.614 342 D HA 0.080 4.722 4.640 0.003 0.000 0.203 342 D C 0.554 176.915 176.300 0.101 0.000 1.312 342 D CA -0.257 53.830 54.000 0.144 0.000 0.889 342 D CB 1.038 41.960 40.800 0.203 0.000 1.615 342 D HN 0.024 nan 8.370 nan 0.000 0.567 343 Q N 2.102 121.908 119.800 0.011 0.000 2.124 343 Q HA -0.123 4.219 4.340 0.003 0.000 0.202 343 Q C 0.940 176.982 176.000 0.071 0.000 0.977 343 Q CA 1.753 57.529 55.803 -0.045 0.000 0.850 343 Q CB -0.201 28.415 28.738 -0.204 0.000 0.901 343 Q HN 0.779 nan 8.270 nan 0.000 0.429 344 Y N -1.068 119.322 120.300 0.149 0.000 2.315 344 Y HA -0.139 4.414 4.550 0.005 0.000 0.288 344 Y C 1.495 177.520 175.900 0.210 0.000 1.154 344 Y CA 0.568 58.781 58.100 0.188 0.000 1.229 344 Y CB 0.032 38.578 38.460 0.143 0.000 0.980 344 Y HN 0.123 nan 8.280 nan 0.000 0.540 345 M N 0.176 119.964 119.600 0.314 0.000 2.571 345 M HA 0.003 4.484 4.480 0.003 0.000 0.235 345 M C 1.207 177.637 176.300 0.217 0.000 1.216 345 M CA 0.214 55.645 55.300 0.218 0.000 0.979 345 M CB -0.361 32.307 32.600 0.113 0.000 1.616 345 M HN 0.446 nan 8.290 nan 0.000 0.469 346 H N -1.444 117.704 119.070 0.130 0.000 2.543 346 H HA 0.033 4.591 4.556 0.003 0.000 0.286 346 H C 1.482 176.874 175.328 0.107 0.000 1.037 346 H CA 0.855 56.962 56.048 0.100 0.000 1.250 346 H CB 0.104 29.901 29.762 0.057 0.000 1.373 346 H HN 0.096 nan 8.280 nan 0.000 0.580 347 R N -0.570 119.755 120.500 -0.291 0.000 2.472 347 R HA 0.110 4.452 4.340 0.003 0.000 0.279 347 R C 0.833 177.119 176.300 -0.024 0.000 0.953 347 R CA -0.238 55.727 56.100 -0.225 0.000 1.088 347 R CB -0.817 29.247 30.300 -0.393 0.000 1.197 347 R HN 0.349 nan 8.270 nan 0.000 0.536 348 F N 1.779 121.695 119.950 -0.057 0.000 2.102 348 F HA -0.171 4.358 4.527 0.003 0.000 0.298 348 F C 2.120 177.986 175.800 0.110 0.000 1.105 348 F CA 1.787 59.806 58.000 0.032 0.000 1.239 348 F CB -0.056 39.001 39.000 0.096 0.000 0.991 348 F HN 0.096 nan 8.300 nan 0.000 0.474 349 A N 0.117 123.067 122.820 0.217 0.000 1.902 349 A HA -0.074 4.248 4.320 0.003 0.000 0.217 349 A C 2.376 179.979 177.584 0.031 0.000 1.181 349 A CA 1.746 53.851 52.037 0.115 0.000 0.623 349 A CB -1.544 17.520 19.000 0.108 0.000 0.818 349 A HN 0.470 nan 8.150 nan 0.000 0.443 350 A N -1.540 121.286 122.820 0.010 0.000 1.933 350 A HA -0.122 4.200 4.320 0.003 0.000 0.218 350 A C 2.132 179.650 177.584 -0.110 0.000 1.175 350 A CA 1.687 53.702 52.037 -0.037 0.000 0.628 350 A CB -0.783 18.192 19.000 -0.042 0.000 0.814 350 A HN 0.754 nan 8.150 nan 0.000 0.444 351 Y N -0.812 119.302 120.300 -0.309 0.000 2.145 351 Y HA -0.159 4.393 4.550 0.002 0.000 0.286 351 Y C 1.762 177.314 175.900 -0.580 0.000 1.145 351 Y CA 1.809 59.608 58.100 -0.501 0.000 1.148 351 Y CB -0.392 37.645 38.460 -0.706 0.000 0.981 351 Y HN 0.275 nan 8.280 nan 0.000 0.507 352 F N 0.329 120.084 119.950 -0.325 0.000 2.748 352 F HA -0.099 4.429 4.527 0.002 0.000 0.299 352 F C 2.287 177.931 175.800 -0.260 0.000 1.154 352 F CA 0.637 58.412 58.000 -0.374 0.000 1.446 352 F CB -0.166 38.600 39.000 -0.391 0.000 1.112 352 F HN 0.138 nan 8.300 nan 0.000 0.584 353 Q N 0.095 119.850 119.800 -0.075 0.000 2.050 353 Q HA -0.294 4.048 4.340 0.003 0.000 0.202 353 Q C 2.237 178.163 176.000 -0.123 0.000 0.980 353 Q CA 1.895 57.665 55.803 -0.054 0.000 0.840 353 Q CB -0.280 28.435 28.738 -0.038 0.000 0.898 353 Q HN 0.513 nan 8.270 nan 0.000 0.424 354 Q N -0.232 119.420 119.800 -0.247 0.000 2.016 354 Q HA -0.140 4.202 4.340 0.003 0.000 0.200 354 Q C 2.075 177.884 176.000 -0.319 0.000 0.978 354 Q CA 1.515 57.148 55.803 -0.283 0.000 0.833 354 Q CB -0.334 28.189 28.738 -0.359 0.000 0.895 354 Q HN 0.417 nan 8.270 nan 0.000 0.427 355 G N 0.857 109.361 108.800 -0.494 0.000 2.476 355 G HA2 -0.326 3.636 3.960 0.003 0.000 0.218 355 G HA3 -0.326 3.636 3.960 0.003 0.000 0.218 355 G C 1.240 176.073 174.900 -0.112 0.000 1.164 355 G CA 1.206 46.050 45.100 -0.427 0.000 0.768 355 G HN 0.430 nan 8.290 nan 0.000 0.560 356 D N 0.001 120.405 120.400 0.006 0.000 2.146 356 D HA 0.039 4.681 4.640 0.003 0.000 0.209 356 D C 2.786 179.115 176.300 0.049 0.000 0.973 356 D CA 0.609 54.653 54.000 0.073 0.000 0.860 356 D CB -0.107 40.751 40.800 0.097 0.000 1.015 356 D HN 0.299 nan 8.370 nan 0.000 0.465 357 M N 0.297 119.906 119.600 0.015 0.000 2.254 357 M HA -0.041 4.441 4.480 0.003 0.000 0.265 357 M C 2.137 178.435 176.300 -0.003 0.000 1.066 357 M CA 0.941 56.251 55.300 0.016 0.000 1.123 357 M CB -0.082 32.522 32.600 0.007 0.000 1.388 357 M HN -0.010 nan 8.290 nan 0.000 0.425 358 E N 0.049 120.226 120.200 -0.038 0.000 2.158 358 E HA -0.097 4.255 4.350 0.003 0.000 0.191 358 E C 1.809 178.403 176.600 -0.010 0.000 0.982 358 E CA 0.970 57.347 56.400 -0.037 0.000 0.823 358 E CB 0.288 29.941 29.700 -0.077 0.000 0.766 358 E HN 0.362 nan 8.360 nan 0.000 0.468 359 S N 0.849 116.547 115.700 -0.004 0.000 2.345 359 S HA -0.037 4.435 4.470 0.003 0.000 0.219 359 S C 1.301 175.927 174.600 0.043 0.000 1.031 359 S CA 1.028 59.237 58.200 0.015 0.000 0.984 359 S CB -0.024 63.203 63.200 0.044 0.000 0.874 359 S HN 0.268 nan 8.310 nan 0.000 0.451 360 N N 0.483 119.239 118.700 0.094 0.000 2.187 360 N HA 0.191 4.933 4.740 0.003 0.000 0.212 360 N C 0.349 175.907 175.510 0.079 0.000 1.152 360 N CA 0.021 53.170 53.050 0.165 0.000 0.872 360 N CB 0.606 39.308 38.487 0.359 0.000 1.025 360 N HN 0.296 nan 8.380 nan 0.000 0.514 361 G N 1.002 109.830 108.800 0.047 0.000 3.101 361 G HA2 0.173 4.135 3.960 0.003 0.000 0.272 361 G HA3 0.173 4.135 3.960 0.003 0.000 0.272 361 G C 0.136 175.065 174.900 0.048 0.000 0.801 361 G CA -0.044 45.065 45.100 0.015 0.000 1.978 361 G HN -0.133 nan 8.290 nan 0.000 0.591 362 K N 0.442 120.878 120.400 0.059 0.000 2.482 362 K HA 0.315 4.637 4.320 0.003 0.000 0.257 362 K C -0.601 176.100 176.600 0.169 0.000 0.969 362 K CA -0.950 55.424 56.287 0.144 0.000 0.842 362 K CB 2.042 34.621 32.500 0.130 0.000 1.359 362 K HN 0.440 nan 8.250 nan 0.000 0.441 363 Y N -1.303 118.983 120.300 -0.024 0.000 2.666 363 Y HA 0.414 4.966 4.550 0.003 0.000 0.260 363 Y C -0.267 175.610 175.900 -0.038 0.000 1.089 363 Y CA -0.581 57.477 58.100 -0.070 0.000 1.246 363 Y CB 0.855 39.268 38.460 -0.079 0.000 1.353 363 Y HN 0.161 nan 8.280 nan 0.000 0.558 364 I N 3.301 123.685 120.570 -0.309 0.000 2.378 364 I HA 0.280 4.452 4.170 0.003 0.000 0.291 364 I C 0.515 176.610 176.117 -0.036 0.000 0.992 364 I CA -0.673 60.453 61.300 -0.290 0.000 1.154 364 I CB 1.569 39.359 38.000 -0.349 0.000 1.315 364 I HN 0.319 nan 8.210 nan 0.000 0.448 365 T N 1.912 116.460 114.554 -0.010 0.000 2.824 365 T HA 0.261 4.613 4.350 0.003 0.000 0.277 365 T C 1.168 175.926 174.700 0.096 0.000 0.975 365 T CA -0.560 61.589 62.100 0.082 0.000 0.966 365 T CB 1.542 70.446 68.868 0.060 0.000 1.054 365 T HN 0.645 nan 8.240 nan 0.000 0.533 366 K N 0.309 120.753 120.400 0.072 0.000 2.113 366 K HA -0.166 4.155 4.320 0.003 0.000 0.208 366 K C 2.338 178.845 176.600 -0.154 0.000 1.047 366 K CA 1.862 58.032 56.287 -0.195 0.000 0.928 366 K CB -0.548 31.711 32.500 -0.402 0.000 0.716 366 K HN 0.723 nan 8.250 nan 0.000 0.446 367 S N -1.526 114.128 115.700 -0.076 0.000 2.522 367 S HA 0.068 4.540 4.470 0.003 0.000 0.227 367 S C 1.432 176.007 174.600 -0.041 0.000 0.986 367 S CA 0.768 58.933 58.200 -0.059 0.000 0.929 367 S CB 0.132 63.309 63.200 -0.038 0.000 0.769 367 S HN 0.587 nan 8.310 nan 0.000 0.529 368 G N 0.491 109.272 108.800 -0.032 0.000 2.194 368 G HA2 -0.068 3.894 3.960 0.003 0.000 0.236 368 G HA3 -0.068 3.894 3.960 0.003 0.000 0.236 368 G C 0.246 175.106 174.900 -0.067 0.000 0.987 368 G CA -0.080 44.993 45.100 -0.044 0.000 0.635 368 G HN 1.282 nan 8.290 nan 0.000 0.520 369 A N 0.465 123.253 122.820 -0.053 0.000 2.371 369 A HA 0.689 5.011 4.320 0.003 0.000 0.257 369 A C 0.822 178.351 177.584 -0.091 0.000 1.089 369 A CA 0.193 52.197 52.037 -0.055 0.000 0.794 369 A CB 0.318 19.302 19.000 -0.027 0.000 1.029 369 A HN 0.578 nan 8.150 nan 0.000 0.488 370 R N 0.850 121.292 120.500 -0.096 0.000 2.590 370 R HA 0.275 4.617 4.340 0.003 0.000 0.274 370 R C 0.254 176.496 176.300 -0.098 0.000 1.061 370 R CA 0.047 56.078 56.100 -0.115 0.000 1.081 370 R CB 0.292 30.573 30.300 -0.032 0.000 0.984 370 R HN 0.736 nan 8.270 nan 0.000 0.448 371 V N 1.142 120.965 119.914 -0.153 0.000 2.963 371 V HA 0.078 4.200 4.120 0.003 0.000 0.306 371 V C 0.279 176.221 176.094 -0.253 0.000 1.077 371 V CA -0.204 61.900 62.300 -0.327 0.000 1.124 371 V CB 1.243 32.676 31.823 -0.649 0.000 0.987 371 V HN 0.937 nan 8.190 nan 0.000 0.487 372 D N 1.336 121.594 120.400 -0.237 0.000 2.891 372 D HA 0.264 4.906 4.640 0.003 0.000 0.312 372 D C -0.122 176.176 176.300 -0.002 0.000 1.354 372 D CA -0.047 53.910 54.000 -0.071 0.000 0.838 372 D CB -0.487 40.326 40.800 0.022 0.000 1.117 372 D HN 1.065 nan 8.370 nan 0.000 0.473 373 H N -3.634 115.414 119.070 -0.036 0.000 2.981 373 H HA 0.476 5.034 4.556 0.003 0.000 0.327 373 H C -0.723 174.529 175.328 -0.126 0.000 1.342 373 H CA -1.006 55.011 56.048 -0.052 0.000 1.123 373 H CB 0.388 30.105 29.762 -0.075 0.000 1.851 373 H HN -0.286 nan 8.280 nan 0.000 0.531 374 Q N 0.860 120.680 119.800 0.033 0.000 2.392 374 Q HA 0.277 4.619 4.340 0.003 0.000 0.262 374 Q C 0.328 176.063 176.000 -0.442 0.000 1.003 374 Q CA 0.725 56.446 55.803 -0.136 0.000 0.888 374 Q CB 1.530 30.239 28.738 -0.048 0.000 1.260 374 Q HN 0.975 nan 8.270 nan 0.000 0.435 375 T N -2.227 111.928 114.554 -0.665 0.000 2.747 375 T HA 0.539 4.891 4.350 0.003 0.000 0.236 375 T C 0.597 174.639 174.700 -1.096 0.000 1.046 375 T CA -0.233 61.034 62.100 -1.388 0.000 1.054 375 T CB -0.346 68.053 68.868 -0.781 0.000 2.287 375 T HN 0.569 nan 8.240 nan 0.000 0.523 376 G N 3.026 111.441 108.800 -0.642 0.000 2.414 376 G HA2 0.480 4.442 3.960 0.003 0.000 0.236 376 G HA3 0.480 4.442 3.960 0.003 0.000 0.236 376 G C -2.291 172.598 174.900 -0.018 0.000 1.293 376 G CA -0.744 44.291 45.100 -0.107 0.000 0.869 376 G HN 0.673 nan 8.290 nan 0.000 0.556 377 P HA 0.340 nan 4.420 nan 0.000 0.278 377 P C -0.111 177.266 177.300 0.128 0.000 1.258 377 P CA -0.685 62.495 63.100 0.132 0.000 0.811 377 P CB 1.383 33.214 31.700 0.218 0.000 1.063 378 I N 0.673 121.322 120.570 0.132 0.000 2.471 378 I HA 0.101 4.273 4.170 0.003 0.000 0.286 378 I C 0.362 176.638 176.117 0.264 0.000 1.079 378 I CA -0.336 61.049 61.300 0.142 0.000 1.398 378 I CB 0.637 38.687 38.000 0.082 0.000 1.403 378 I HN -0.021 nan 8.210 nan 0.000 0.530 379 V N 7.391 127.442 119.914 0.229 0.000 2.532 379 V HA 0.511 4.633 4.120 0.003 0.000 0.295 379 V C -0.361 175.912 176.094 0.297 0.000 1.041 379 V CA -0.287 62.157 62.300 0.241 0.000 0.926 379 V CB 1.395 33.310 31.823 0.153 0.000 0.992 379 V HN 0.836 nan 8.190 nan 0.000 0.457 380 W N 2.632 123.922 121.300 -0.017 0.000 2.959 380 W HA 0.828 5.486 4.660 -0.003 0.000 0.358 380 W C -0.312 176.163 176.519 -0.073 0.000 1.228 380 W CA -0.562 56.742 57.345 -0.067 0.000 1.183 380 W CB 1.158 30.539 29.460 -0.132 0.000 1.467 380 W HN 1.072 nan 8.180 nan 0.000 0.578 381 G N 0.654 109.439 108.800 -0.025 0.000 2.352 381 G HA2 0.358 4.320 3.960 0.003 0.000 0.302 381 G HA3 0.358 4.320 3.960 0.003 0.000 0.302 381 G C -1.986 172.987 174.900 0.122 0.000 1.370 381 G CA -0.884 44.098 45.100 -0.197 0.000 0.918 381 G HN 0.555 nan 8.290 nan 0.000 0.610 382 E N -0.143 120.218 120.200 0.269 0.000 2.408 382 E HA 0.546 4.898 4.350 0.003 0.000 0.275 382 E C -2.642 174.052 176.600 0.156 0.000 0.935 382 E CA -1.446 55.114 56.400 0.266 0.000 0.775 382 E CB 2.918 32.853 29.700 0.392 0.000 1.277 382 E HN 0.378 nan 8.360 nan 0.000 0.455 383 P HA 0.098 nan 4.420 nan 0.000 0.269 383 P C 0.062 177.220 177.300 -0.235 0.000 1.209 383 P CA -0.115 62.968 63.100 -0.029 0.000 0.776 383 P CB 0.452 32.163 31.700 0.018 0.000 0.876 384 G N 0.741 109.173 108.800 -0.613 0.000 2.467 384 G HA2 0.333 4.295 3.960 0.003 0.000 0.257 384 G HA3 0.333 4.295 3.960 0.003 0.000 0.257 384 G C 0.959 175.438 174.900 -0.702 0.000 1.227 384 G CA -0.318 44.047 45.100 -1.225 0.000 0.835 384 G HN 0.539 nan 8.290 nan 0.000 0.556 385 T N -0.867 113.452 114.554 -0.392 0.000 3.107 385 T HA -0.001 4.351 4.350 0.003 0.000 0.249 385 T C 1.619 176.175 174.700 -0.241 0.000 1.096 385 T CA 0.176 62.085 62.100 -0.318 0.000 1.012 385 T CB -0.117 68.740 68.868 -0.018 0.000 0.977 385 T HN 0.404 nan 8.240 nan 0.000 0.527 386 N N 2.187 120.753 118.700 -0.222 0.000 2.094 386 N HA -0.023 4.719 4.740 0.003 0.000 0.191 386 N C 2.174 177.533 175.510 -0.252 0.000 1.023 386 N CA 1.623 54.580 53.050 -0.155 0.000 0.857 386 N CB -0.771 37.654 38.487 -0.104 0.000 1.013 386 N HN 0.559 nan 8.380 nan 0.000 0.426 387 G N 0.589 109.132 108.800 -0.428 0.000 2.442 387 G HA2 -0.309 3.653 3.960 0.003 0.000 0.219 387 G HA3 -0.309 3.653 3.960 0.003 0.000 0.219 387 G C 1.326 175.521 174.900 -1.174 0.000 1.141 387 G CA 0.678 45.250 45.100 -0.879 0.000 0.763 387 G HN 0.369 nan 8.290 nan 0.000 0.554 388 Q N -0.525 118.484 119.800 -1.319 0.000 2.197 388 Q HA -0.118 4.224 4.340 0.003 0.000 0.207 388 Q C 1.753 177.377 176.000 -0.628 0.000 0.984 388 Q CA 1.243 56.336 55.803 -1.184 0.000 0.869 388 Q CB -0.141 28.116 28.738 -0.802 0.000 0.906 388 Q HN 0.657 nan 8.270 nan 0.000 0.426 389 H N -2.073 116.786 119.070 -0.351 0.000 2.549 389 H HA 0.355 4.920 4.556 0.015 0.000 0.279 389 H C 0.891 176.140 175.328 -0.131 0.000 1.018 389 H CA 0.468 56.411 56.048 -0.175 0.000 1.175 389 H CB 0.759 30.439 29.762 -0.136 0.000 1.485 389 H HN 0.253 nan 8.280 nan 0.000 0.543 390 A N 0.725 123.470 122.820 -0.125 0.000 2.042 390 A HA 0.125 4.447 4.320 0.003 0.000 0.207 390 A C 1.136 178.786 177.584 0.109 0.000 1.598 390 A CA 0.156 52.186 52.037 -0.012 0.000 0.818 390 A CB -0.176 18.835 19.000 0.018 0.000 1.169 390 A HN 0.238 nan 8.150 nan 0.000 0.548 391 F N -4.011 116.088 119.950 0.248 0.000 2.856 391 F HA 0.473 5.010 4.527 0.017 0.000 0.338 391 F C 1.042 177.078 175.800 0.392 0.000 1.100 391 F CA -0.789 57.386 58.000 0.292 0.000 1.150 391 F CB -0.091 39.104 39.000 0.325 0.000 1.101 391 F HN 0.068 nan 8.300 nan 0.000 0.548 392 Y N 1.722 122.045 120.300 0.038 0.000 2.497 392 Y HA -0.102 4.449 4.550 0.002 0.000 0.292 392 Y C 2.638 178.720 175.900 0.302 0.000 1.137 392 Y CA 1.134 59.353 58.100 0.198 0.000 1.285 392 Y CB -0.858 37.697 38.460 0.159 0.000 0.991 392 Y HN 0.309 nan 8.280 nan 0.000 0.556 393 Q N 0.766 120.786 119.800 0.366 0.000 2.096 393 Q HA -0.232 4.110 4.340 0.003 0.000 0.208 393 Q C 2.205 178.344 176.000 0.230 0.000 0.993 393 Q CA 2.056 58.016 55.803 0.261 0.000 0.862 393 Q CB -0.823 28.012 28.738 0.162 0.000 0.915 393 Q HN 0.603 nan 8.270 nan 0.000 0.416 394 L N -0.675 120.688 121.223 0.234 0.000 2.093 394 L HA -0.053 4.288 4.340 0.003 0.000 0.208 394 L C 2.167 179.130 176.870 0.155 0.000 1.085 394 L CA 1.044 55.985 54.840 0.169 0.000 0.755 394 L CB -0.163 41.992 42.059 0.161 0.000 0.904 394 L HN 0.356 nan 8.230 nan 0.000 0.435 395 I N -1.072 119.611 120.570 0.188 0.000 2.179 395 I HA -0.307 3.865 4.170 0.003 0.000 0.242 395 I C 2.396 178.505 176.117 -0.012 0.000 1.088 395 I CA 1.096 62.428 61.300 0.054 0.000 1.357 395 I CB -0.748 37.216 38.000 -0.059 0.000 1.051 395 I HN 0.359 nan 8.210 nan 0.000 0.409 396 H N 0.571 119.726 119.070 0.142 0.000 2.395 396 H HA 0.001 4.578 4.556 0.036 0.000 0.299 396 H C 1.248 176.605 175.328 0.047 0.000 1.070 396 H CA 1.161 57.306 56.048 0.163 0.000 1.356 396 H CB 0.241 30.192 29.762 0.315 0.000 1.401 396 H HN 0.493 nan 8.280 nan 0.000 0.524 397 Q N -0.117 119.750 119.800 0.111 0.000 2.093 397 Q HA 0.216 4.558 4.340 0.003 0.000 0.217 397 Q C 0.730 176.729 176.000 -0.001 0.000 0.785 397 Q CA -0.279 55.510 55.803 -0.023 0.000 1.038 397 Q CB 1.935 30.582 28.738 -0.151 0.000 1.190 397 Q HN 0.211 nan 8.270 nan 0.000 0.468 398 G N 0.399 109.219 108.800 0.034 0.000 2.509 398 G HA2 0.194 4.156 3.960 0.003 0.000 0.269 398 G HA3 0.194 4.156 3.960 0.003 0.000 0.269 398 G C 0.665 175.575 174.900 0.016 0.000 1.416 398 G CA 0.090 45.206 45.100 0.027 0.000 1.052 398 G HN 0.157 nan 8.290 nan 0.000 0.542 399 T N -2.632 111.930 114.554 0.013 0.000 3.174 399 T HA 0.396 4.747 4.350 0.003 0.000 0.269 399 T C 0.333 175.044 174.700 0.017 0.000 1.017 399 T CA -0.199 61.908 62.100 0.012 0.000 0.899 399 T CB 0.143 69.014 68.868 0.006 0.000 1.077 399 T HN 0.180 nan 8.240 nan 0.000 0.552 400 K N 1.369 121.781 120.400 0.020 0.000 2.207 400 K HA 0.605 4.927 4.320 0.003 0.000 0.255 400 K C -0.789 175.824 176.600 0.021 0.000 0.941 400 K CA -0.661 55.640 56.287 0.023 0.000 0.825 400 K CB 1.991 34.503 32.500 0.020 0.000 1.119 400 K HN 0.200 nan 8.250 nan 0.000 0.430 401 M N 4.574 124.184 119.600 0.017 0.000 2.113 401 M HA 0.414 4.896 4.480 0.003 0.000 0.352 401 M C -1.296 174.989 176.300 -0.024 0.000 1.170 401 M CA -0.286 54.999 55.300 -0.026 0.000 1.053 401 M CB 0.328 32.905 32.600 -0.038 0.000 1.601 401 M HN 0.535 nan 8.290 nan 0.000 0.459 402 I N 7.796 128.337 120.570 -0.048 0.000 2.521 402 I HA 0.362 4.533 4.170 0.003 0.000 0.277 402 I C -2.263 173.783 176.117 -0.118 0.000 1.054 402 I CA -1.961 59.335 61.300 -0.006 0.000 1.117 402 I CB 1.362 39.424 38.000 0.103 0.000 1.217 402 I HN 0.464 nan 8.210 nan 0.000 0.469 403 P HA 0.079 nan 4.420 nan 0.000 0.264 403 P C -0.875 176.302 177.300 -0.206 0.000 1.193 403 P CA -0.075 62.905 63.100 -0.199 0.000 0.763 403 P CB 0.427 32.097 31.700 -0.050 0.000 0.810 404 C N 2.850 122.067 119.300 -0.140 0.000 2.498 404 C HA 0.389 4.851 4.460 0.003 0.000 0.316 404 C C -0.330 174.678 174.990 0.030 0.000 1.209 404 C CA -0.413 58.494 59.018 -0.185 0.000 1.518 404 C CB 1.407 29.124 27.740 -0.037 0.000 2.147 404 C HN 0.489 nan 8.230 nan 0.000 0.483 405 D N 1.804 122.181 120.400 -0.037 0.000 2.329 405 D HA 0.478 5.119 4.640 0.003 0.000 0.232 405 D C -0.695 175.742 176.300 0.229 0.000 1.088 405 D CA 0.025 54.170 54.000 0.242 0.000 0.835 405 D CB 0.572 41.596 40.800 0.373 0.000 1.078 405 D HN 0.249 nan 8.370 nan 0.000 0.495 406 F N 2.171 122.214 119.950 0.154 0.000 2.410 406 F HA 0.427 4.952 4.527 -0.005 0.000 0.349 406 F C 0.020 176.139 175.800 0.530 0.000 1.117 406 F CA -0.669 57.473 58.000 0.237 0.000 1.104 406 F CB 0.731 39.582 39.000 -0.249 0.000 1.122 406 F HN 0.056 nan 8.300 nan 0.000 0.483 407 L N 5.132 126.790 121.223 0.724 0.000 2.381 407 L HA 0.713 5.055 4.340 0.003 0.000 0.268 407 L C -0.829 176.187 176.870 0.244 0.000 0.997 407 L CA -0.449 54.709 54.840 0.530 0.000 0.818 407 L CB 2.346 44.667 42.059 0.437 0.000 1.310 407 L HN 0.572 nan 8.230 nan 0.000 0.416 408 I N 2.862 123.244 120.570 -0.313 0.000 2.785 408 I HA 0.457 4.628 4.170 0.003 0.000 0.293 408 I C -2.762 172.637 176.117 -1.196 0.000 1.446 408 I CA -1.567 59.355 61.300 -0.631 0.000 1.028 408 I CB 3.389 40.772 38.000 -1.028 0.000 1.349 408 I HN 0.396 nan 8.210 nan 0.000 0.438 409 P HA 0.158 nan 4.420 nan 0.000 0.284 409 P C 0.460 177.624 177.300 -0.226 0.000 1.253 409 P CA -0.167 62.561 63.100 -0.619 0.000 0.800 409 P CB 1.972 33.635 31.700 -0.061 0.000 0.961 410 V N 2.500 122.305 119.914 -0.182 0.000 2.358 410 V HA -0.170 3.952 4.120 0.003 0.000 0.246 410 V C 1.311 177.460 176.094 0.092 0.000 1.047 410 V CA 1.807 64.085 62.300 -0.035 0.000 1.035 410 V CB -0.842 30.949 31.823 -0.054 0.000 0.658 410 V HN 0.592 nan 8.190 nan 0.000 0.452 411 Q N -0.124 119.673 119.800 -0.005 0.000 2.257 411 Q HA 0.384 4.726 4.340 0.003 0.000 0.255 411 Q C -0.088 175.767 176.000 -0.241 0.000 0.920 411 Q CA -0.096 55.651 55.803 -0.093 0.000 0.927 411 Q CB 1.797 30.510 28.738 -0.042 0.000 1.229 411 Q HN 0.352 nan 8.270 nan 0.000 0.433 412 T N 0.892 115.142 114.554 -0.506 0.000 2.922 412 T HA 0.067 4.419 4.350 0.003 0.000 0.285 412 T C 0.982 175.542 174.700 -0.234 0.000 1.005 412 T CA -0.483 61.327 62.100 -0.484 0.000 1.061 412 T CB 0.922 69.336 68.868 -0.756 0.000 1.007 412 T HN 0.505 nan 8.240 nan 0.000 0.502 413 Q N 1.618 121.319 119.800 -0.165 0.000 2.369 413 Q HA -0.016 4.326 4.340 0.003 0.000 0.206 413 Q C 0.026 175.685 176.000 -0.569 0.000 0.963 413 Q CA 1.158 56.770 55.803 -0.318 0.000 0.894 413 Q CB 0.052 28.630 28.738 -0.266 0.000 0.965 413 Q HN 0.650 nan 8.270 nan 0.000 0.475 414 H N 0.329 119.360 119.070 -0.065 0.000 2.448 414 H HA 0.197 4.755 4.556 0.003 0.000 0.237 414 H C -2.081 173.192 175.328 -0.092 0.000 1.391 414 H CA -1.736 54.267 56.048 -0.075 0.000 1.477 414 H CB 1.001 30.716 29.762 -0.078 0.000 1.520 414 H HN 0.034 nan 8.280 nan 0.000 0.502 415 P HA 0.052 nan 4.420 nan 0.000 0.225 415 P C 0.781 178.089 177.300 0.013 0.000 1.768 415 P CA -0.144 62.948 63.100 -0.014 0.000 0.943 415 P CB -0.869 30.809 31.700 -0.035 0.000 1.936 416 I N -3.057 117.516 120.570 0.005 0.000 2.938 416 I HA 0.188 4.360 4.170 0.003 0.000 0.285 416 I C 0.758 176.900 176.117 0.042 0.000 1.182 416 I CA -0.674 60.617 61.300 -0.014 0.000 1.388 416 I CB -0.020 37.911 38.000 -0.115 0.000 1.390 416 I HN -0.004 nan 8.210 nan 0.000 0.600 417 R N 2.462 122.988 120.500 0.043 0.000 3.322 417 R HA -0.204 4.138 4.340 0.003 0.000 0.253 417 R C -0.063 176.276 176.300 0.065 0.000 0.987 417 R CA 0.932 57.075 56.100 0.071 0.000 0.666 417 R CB -1.896 28.484 30.300 0.134 0.000 1.072 417 R HN 0.913 nan 8.270 nan 0.000 0.447 418 K N -1.940 118.486 120.400 0.043 0.000 3.088 418 K HA -0.277 4.045 4.320 0.003 0.000 0.273 418 K C 0.810 177.439 176.600 0.048 0.000 1.111 418 K CA 1.091 57.400 56.287 0.035 0.000 0.803 418 K CB -1.679 30.838 32.500 0.027 0.000 1.226 418 K HN 0.948 nan 8.250 nan 0.000 0.485 419 G N -0.013 108.829 108.800 0.069 0.000 2.141 419 G HA2 -0.332 3.630 3.960 0.003 0.000 0.242 419 G HA3 -0.332 3.630 3.960 0.003 0.000 0.242 419 G C 0.592 175.566 174.900 0.125 0.000 0.982 419 G CA 0.336 45.494 45.100 0.096 0.000 0.662 419 G HN 0.243 nan 8.290 nan 0.000 0.527 420 L N 0.485 121.783 121.223 0.124 0.000 1.989 420 L HA 0.017 4.359 4.340 0.003 0.000 0.211 420 L C 2.551 179.484 176.870 0.104 0.000 1.071 420 L CA 2.998 57.894 54.840 0.094 0.000 0.749 420 L CB -0.644 41.459 42.059 0.072 0.000 0.890 420 L HN 0.492 nan 8.230 nan 0.000 0.431 421 H N -2.090 117.010 119.070 0.050 0.000 2.352 421 H HA -0.210 4.350 4.556 0.007 0.000 0.299 421 H C 2.144 177.529 175.328 0.094 0.000 1.097 421 H CA 1.868 57.951 56.048 0.057 0.000 1.311 421 H CB -0.064 29.729 29.762 0.051 0.000 1.377 421 H HN 0.515 nan 8.280 nan 0.000 0.504 422 H N 1.094 120.247 119.070 0.139 0.000 2.423 422 H HA -0.040 4.519 4.556 0.006 0.000 0.297 422 H C 2.398 177.752 175.328 0.043 0.000 1.075 422 H CA 1.173 57.266 56.048 0.075 0.000 1.342 422 H CB 0.167 29.956 29.762 0.046 0.000 1.395 422 H HN 0.087 nan 8.280 nan 0.000 0.530 423 K N 0.408 120.841 120.400 0.055 0.000 2.032 423 K HA -0.135 4.187 4.320 0.003 0.000 0.209 423 K C 2.041 178.617 176.600 -0.040 0.000 1.048 423 K CA 1.788 58.066 56.287 -0.014 0.000 0.927 423 K CB -0.234 32.272 32.500 0.011 0.000 0.712 423 K HN 0.350 nan 8.250 nan 0.000 0.441 424 I N 1.055 121.613 120.570 -0.019 0.000 2.252 424 I HA -0.288 3.884 4.170 0.003 0.000 0.245 424 I C 2.434 178.555 176.117 0.007 0.000 1.102 424 I CA 0.509 61.798 61.300 -0.018 0.000 1.385 424 I CB -0.234 37.741 38.000 -0.042 0.000 1.064 424 I HN 0.151 nan 8.210 nan 0.000 0.414 425 L N 0.732 121.959 121.223 0.007 0.000 1.989 425 L HA -0.218 4.124 4.340 0.003 0.000 0.211 425 L C 2.352 179.234 176.870 0.020 0.000 1.071 425 L CA 1.912 56.788 54.840 0.059 0.000 0.749 425 L CB -0.495 41.582 42.059 0.031 0.000 0.890 425 L HN 0.124 nan 8.230 nan 0.000 0.431 426 L N -0.816 120.302 121.223 -0.176 0.000 2.012 426 L HA -0.228 4.114 4.340 0.003 0.000 0.210 426 L C 2.659 179.518 176.870 -0.018 0.000 1.073 426 L CA 1.357 56.099 54.840 -0.163 0.000 0.748 426 L CB -0.880 41.030 42.059 -0.248 0.000 0.891 426 L HN 0.400 nan 8.230 nan 0.000 0.431 427 A N -0.200 122.605 122.820 -0.026 0.000 1.933 427 A HA -0.217 4.105 4.320 0.003 0.000 0.218 427 A C 2.098 179.685 177.584 0.005 0.000 1.175 427 A CA 1.855 53.882 52.037 -0.016 0.000 0.628 427 A CB -0.609 18.375 19.000 -0.026 0.000 0.814 427 A HN 0.479 nan 8.150 nan 0.000 0.444 428 N N -1.263 117.471 118.700 0.056 0.000 2.142 428 N HA -0.137 4.605 4.740 0.003 0.000 0.186 428 N C 1.606 177.146 175.510 0.051 0.000 1.023 428 N CA 1.532 54.644 53.050 0.104 0.000 0.852 428 N CB -0.376 38.247 38.487 0.226 0.000 0.998 428 N HN 0.551 nan 8.380 nan 0.000 0.424 429 F N 2.201 122.012 119.950 -0.232 0.000 2.091 429 F HA -0.160 4.369 4.527 0.004 0.000 0.299 429 F C 2.128 177.719 175.800 -0.349 0.000 1.103 429 F CA 1.314 58.974 58.000 -0.566 0.000 1.228 429 F CB -0.310 38.365 39.000 -0.543 0.000 0.984 429 F HN -0.076 nan 8.300 nan 0.000 0.477 430 L N -0.234 120.926 121.223 -0.104 0.000 2.072 430 L HA -0.099 4.243 4.340 0.003 0.000 0.205 430 L C 2.822 179.539 176.870 -0.255 0.000 1.079 430 L CA 1.027 55.755 54.840 -0.187 0.000 0.752 430 L CB -1.209 40.818 42.059 -0.055 0.000 0.906 430 L HN 0.220 nan 8.230 nan 0.000 0.436 431 A N -0.664 122.055 122.820 -0.168 0.000 1.902 431 A HA -0.215 4.106 4.320 0.003 0.000 0.217 431 A C 2.296 179.787 177.584 -0.155 0.000 1.181 431 A CA 1.337 53.288 52.037 -0.143 0.000 0.623 431 A CB -0.374 18.576 19.000 -0.084 0.000 0.818 431 A HN 0.379 nan 8.150 nan 0.000 0.443 432 Q N -0.392 119.318 119.800 -0.151 0.000 2.050 432 Q HA -0.144 4.198 4.340 0.003 0.000 0.202 432 Q C 2.452 178.268 176.000 -0.307 0.000 0.980 432 Q CA 2.305 58.074 55.803 -0.057 0.000 0.840 432 Q CB -1.032 27.853 28.738 0.245 0.000 0.898 432 Q HN 0.882 nan 8.270 nan 0.000 0.424 433 T N -1.729 112.419 114.554 -0.677 0.000 2.857 433 T HA -0.114 4.238 4.350 0.003 0.000 0.266 433 T C 1.726 176.202 174.700 -0.372 0.000 1.048 433 T CA 1.276 62.969 62.100 -0.679 0.000 1.139 433 T CB -0.087 68.272 68.868 -0.850 0.000 0.874 433 T HN 0.322 nan 8.240 nan 0.000 0.455 434 E N 1.518 121.526 120.200 -0.320 0.000 2.058 434 E HA -0.135 4.217 4.350 0.003 0.000 0.194 434 E C 2.476 178.970 176.600 -0.177 0.000 0.997 434 E CA 1.180 57.431 56.400 -0.248 0.000 0.801 434 E CB -0.474 29.089 29.700 -0.227 0.000 0.746 434 E HN 0.647 nan 8.360 nan 0.000 0.450 435 A N 0.966 123.708 122.820 -0.130 0.000 1.902 435 A HA -0.157 4.165 4.320 0.003 0.000 0.217 435 A C 2.226 179.837 177.584 0.046 0.000 1.181 435 A CA 1.188 53.185 52.037 -0.065 0.000 0.623 435 A CB -0.715 18.258 19.000 -0.045 0.000 0.818 435 A HN 0.309 nan 8.150 nan 0.000 0.443 436 L N -1.256 119.990 121.223 0.039 0.000 2.042 436 L HA -0.233 4.108 4.340 0.003 0.000 0.210 436 L C 2.839 179.698 176.870 -0.019 0.000 1.076 436 L CA 1.997 56.829 54.840 -0.013 0.000 0.749 436 L CB -0.399 41.562 42.059 -0.163 0.000 0.893 436 L HN 0.654 nan 8.230 nan 0.000 0.432 437 M N -0.491 119.067 119.600 -0.069 0.000 2.098 437 M HA -0.200 4.282 4.480 0.003 0.000 0.262 437 M C 2.274 178.559 176.300 -0.026 0.000 1.072 437 M CA 1.832 57.101 55.300 -0.051 0.000 1.133 437 M CB 0.009 32.538 32.600 -0.118 0.000 1.344 437 M HN -0.037 nan 8.290 nan 0.000 0.414 438 K N 0.154 120.520 120.400 -0.057 0.000 2.098 438 K HA 0.144 4.466 4.320 0.003 0.000 0.203 438 K C 1.043 177.640 176.600 -0.004 0.000 1.051 438 K CA 0.698 56.956 56.287 -0.048 0.000 0.957 438 K CB -0.160 32.283 32.500 -0.094 0.000 0.738 438 K HN 0.669 nan 8.250 nan 0.000 0.447 439 G N 1.709 110.516 108.800 0.012 0.000 2.645 439 G HA2 -0.324 3.638 3.960 0.003 0.000 0.246 439 G HA3 -0.324 3.638 3.960 0.003 0.000 0.246 439 G C -0.666 174.228 174.900 -0.009 0.000 1.322 439 G CA -0.025 45.120 45.100 0.075 0.000 0.898 439 G HN 0.271 nan 8.290 nan 0.000 0.573 440 K N -0.413 120.040 120.400 0.087 0.000 2.601 440 K HA 0.560 4.882 4.320 0.003 0.000 0.249 440 K C 0.126 176.783 176.600 0.095 0.000 0.966 440 K CA -0.832 55.482 56.287 0.045 0.000 0.827 440 K CB 0.833 33.346 32.500 0.021 0.000 1.178 440 K HN 0.554 nan 8.250 nan 0.000 0.437 441 L N 5.542 126.795 121.223 0.049 0.000 2.452 441 L HA 0.200 4.542 4.340 0.003 0.000 0.267 441 L C -1.523 175.375 176.870 0.047 0.000 1.188 441 L CA -1.835 53.032 54.840 0.046 0.000 0.821 441 L CB 0.553 42.628 42.059 0.026 0.000 1.102 441 L HN 0.549 nan 8.230 nan 0.000 0.470 442 P HA -0.206 nan 4.420 nan 0.000 0.216 442 P C 1.143 178.460 177.300 0.029 0.000 1.150 442 P CA 1.139 64.261 63.100 0.036 0.000 0.843 442 P CB 0.035 31.751 31.700 0.026 0.000 0.787 443 E N 0.573 120.786 120.200 0.022 0.000 2.150 443 E HA -0.204 4.148 4.350 0.003 0.000 0.193 443 E C 1.602 178.210 176.600 0.013 0.000 0.985 443 E CA 1.276 57.685 56.400 0.015 0.000 0.814 443 E CB -0.897 28.810 29.700 0.011 0.000 0.752 443 E HN 0.373 nan 8.360 nan 0.000 0.466 444 E N 1.377 121.586 120.200 0.014 0.000 2.028 444 E HA -0.062 4.290 4.350 0.003 0.000 0.190 444 E C 2.229 178.838 176.600 0.016 0.000 0.984 444 E CA 1.120 57.525 56.400 0.007 0.000 0.800 444 E CB -0.184 29.515 29.700 -0.001 0.000 0.758 444 E HN 0.378 nan 8.360 nan 0.000 0.448 445 A N 1.828 124.668 122.820 0.034 0.000 1.933 445 A HA -0.226 4.096 4.320 0.003 0.000 0.218 445 A C 2.135 179.740 177.584 0.035 0.000 1.175 445 A CA 1.697 53.762 52.037 0.047 0.000 0.628 445 A CB -0.542 18.503 19.000 0.076 0.000 0.814 445 A HN 0.139 nan 8.150 nan 0.000 0.444 446 R N 0.014 120.531 120.500 0.029 0.000 2.073 446 R HA -0.152 4.190 4.340 0.003 0.000 0.234 446 R C 1.985 178.295 176.300 0.016 0.000 1.134 446 R CA 1.919 58.032 56.100 0.023 0.000 0.952 446 R CB -0.305 30.006 30.300 0.019 0.000 0.850 446 R HN 0.468 nan 8.270 nan 0.000 0.433 447 K N 0.272 120.679 120.400 0.012 0.000 2.097 447 K HA -0.143 4.179 4.320 0.003 0.000 0.206 447 K C 2.052 178.656 176.600 0.006 0.000 1.049 447 K CA 1.826 58.117 56.287 0.007 0.000 0.933 447 K CB -0.027 32.475 32.500 0.002 0.000 0.717 447 K HN 0.415 nan 8.250 nan 0.000 0.442 448 E N 0.834 121.039 120.200 0.008 0.000 2.072 448 E HA -0.141 4.211 4.350 0.003 0.000 0.191 448 E C 2.058 178.664 176.600 0.011 0.000 0.985 448 E CA 0.828 57.233 56.400 0.008 0.000 0.801 448 E CB -0.033 29.673 29.700 0.010 0.000 0.750 448 E HN 0.207 nan 8.360 nan 0.000 0.452 449 L N 0.653 121.886 121.223 0.017 0.000 2.056 449 L HA -0.214 4.128 4.340 0.003 0.000 0.207 449 L C 2.681 179.557 176.870 0.011 0.000 1.078 449 L CA 0.920 55.770 54.840 0.017 0.000 0.749 449 L CB -0.226 41.847 42.059 0.023 0.000 0.901 449 L HN 0.120 nan 8.230 nan 0.000 0.433 450 Q N 0.378 120.184 119.800 0.010 0.000 2.050 450 Q HA -0.163 4.179 4.340 0.003 0.000 0.202 450 Q C 2.184 178.186 176.000 0.004 0.000 0.980 450 Q CA 2.098 57.905 55.803 0.007 0.000 0.840 450 Q CB -0.290 28.452 28.738 0.006 0.000 0.898 450 Q HN 0.430 nan 8.270 nan 0.000 0.424 451 A N -0.200 122.622 122.820 0.003 0.000 2.067 451 A HA 0.076 4.398 4.320 0.003 0.000 0.219 451 A C 2.059 179.643 177.584 0.000 0.000 1.158 451 A CA 1.451 53.488 52.037 0.000 0.000 0.661 451 A CB -0.729 18.270 19.000 -0.002 0.000 0.801 451 A HN 0.452 nan 8.150 nan 0.000 0.452 452 A N -1.706 121.115 122.820 0.002 0.000 2.238 452 A HA 0.415 4.737 4.320 0.003 0.000 0.208 452 A C 1.686 179.271 177.584 0.001 0.000 1.177 452 A CA 1.125 53.163 52.037 0.001 0.000 0.804 452 A CB -0.838 18.164 19.000 0.003 0.000 0.823 452 A HN 1.835 nan 8.150 nan 0.000 0.482 453 G N -0.430 108.371 108.800 0.002 0.000 2.132 453 G HA2 -0.205 3.757 3.960 0.003 0.000 0.228 453 G HA3 -0.205 3.757 3.960 0.003 0.000 0.228 453 G C -0.043 174.859 174.900 0.002 0.000 1.000 453 G CA 0.117 45.218 45.100 0.001 0.000 0.693 453 G HN 0.371 nan 8.290 nan 0.000 0.515 454 K N 1.433 121.836 120.400 0.004 0.000 2.350 454 K HA 0.402 4.724 4.320 0.003 0.000 0.279 454 K C 1.237 177.840 176.600 0.005 0.000 1.027 454 K CA 0.414 56.704 56.287 0.004 0.000 0.969 454 K CB 1.227 33.731 32.500 0.008 0.000 0.954 454 K HN 0.703 nan 8.250 nan 0.000 0.474 455 S N 2.377 118.079 115.700 0.004 0.000 2.573 455 S HA 0.084 4.556 4.470 0.003 0.000 0.277 455 S C -1.700 172.904 174.600 0.007 0.000 1.346 455 S CA -0.965 57.237 58.200 0.004 0.000 1.034 455 S CB 0.642 63.843 63.200 0.003 0.000 0.879 455 S HN 0.290 nan 8.310 nan 0.000 0.528 456 P HA -0.122 nan 4.420 nan 0.000 0.217 456 P C 0.982 178.288 177.300 0.010 0.000 1.148 456 P CA 1.369 64.475 63.100 0.008 0.000 0.834 456 P CB 0.027 31.731 31.700 0.007 0.000 0.783 457 E N -0.924 119.281 120.200 0.009 0.000 2.072 457 E HA -0.125 4.227 4.350 0.003 0.000 0.190 457 E C 1.722 178.329 176.600 0.012 0.000 0.982 457 E CA 1.078 57.484 56.400 0.010 0.000 0.803 457 E CB -0.824 28.880 29.700 0.007 0.000 0.755 457 E HN 0.244 nan 8.360 nan 0.000 0.453 458 D N 0.176 120.581 120.400 0.010 0.000 2.149 458 D HA -0.097 4.545 4.640 0.003 0.000 0.201 458 D C 1.984 178.294 176.300 0.017 0.000 0.972 458 D CA 0.413 54.418 54.000 0.009 0.000 0.835 458 D CB -0.192 40.610 40.800 0.003 0.000 0.966 458 D HN 0.101 nan 8.370 nan 0.000 0.476 459 L N 0.968 122.202 121.223 0.017 0.000 1.989 459 L HA -0.204 4.138 4.340 0.003 0.000 0.211 459 L C 2.303 179.192 176.870 0.031 0.000 1.071 459 L CA 1.694 56.548 54.840 0.023 0.000 0.749 459 L CB -0.124 41.946 42.059 0.018 0.000 0.890 459 L HN -0.044 nan 8.230 nan 0.000 0.431 460 E N -0.335 119.881 120.200 0.027 0.000 2.085 460 E HA -0.287 4.065 4.350 0.003 0.000 0.194 460 E C 2.171 178.797 176.600 0.044 0.000 0.994 460 E CA 1.544 57.962 56.400 0.029 0.000 0.801 460 E CB 0.040 29.753 29.700 0.021 0.000 0.743 460 E HN 0.448 nan 8.360 nan 0.000 0.453 461 K N -0.295 120.134 120.400 0.048 0.000 2.062 461 K HA -0.114 4.208 4.320 0.003 0.000 0.205 461 K C 1.992 178.674 176.600 0.138 0.000 1.051 461 K CA 0.647 56.978 56.287 0.073 0.000 0.941 461 K CB 0.031 32.558 32.500 0.045 0.000 0.719 461 K HN 0.131 nan 8.250 nan 0.000 0.440 462 L N 0.790 122.074 121.223 0.101 0.000 2.270 462 L HA -0.048 4.294 4.340 0.003 0.000 0.210 462 L C 1.994 178.959 176.870 0.159 0.000 1.104 462 L CA 0.883 55.798 54.840 0.126 0.000 0.804 462 L CB -0.666 41.421 42.059 0.046 0.000 0.937 462 L HN 0.097 nan 8.230 nan 0.000 0.450 463 L N 1.458 122.739 121.223 0.097 0.000 1.978 463 L HA -0.181 4.161 4.340 0.003 0.000 0.218 463 L C -0.479 176.421 176.870 0.050 0.000 1.075 463 L CA 2.447 57.327 54.840 0.066 0.000 0.767 463 L CB -1.764 40.320 42.059 0.041 0.000 0.890 463 L HN 0.208 nan 8.230 nan 0.000 0.434 464 P HA -0.185 nan 4.420 nan 0.000 0.220 464 P C 1.251 178.466 177.300 -0.143 0.000 1.148 464 P CA 1.662 64.711 63.100 -0.086 0.000 0.803 464 P CB -0.470 31.136 31.700 -0.156 0.000 0.782 465 H N 0.132 119.186 119.070 -0.028 0.000 2.457 465 H HA 0.043 4.599 4.556 -0.001 0.000 0.294 465 H C 1.530 176.815 175.328 -0.072 0.000 1.064 465 H CA 0.963 56.980 56.048 -0.052 0.000 1.330 465 H CB 0.139 29.881 29.762 -0.034 0.000 1.395 465 H HN 0.189 nan 8.280 nan 0.000 0.541 466 K N 0.901 121.355 120.400 0.090 0.000 2.367 466 K HA 0.145 4.467 4.320 0.003 0.000 0.194 466 K C 0.492 177.187 176.600 0.157 0.000 1.027 466 K CA 0.013 56.366 56.287 0.111 0.000 1.075 466 K CB 0.775 33.349 32.500 0.124 0.000 0.845 466 K HN -0.027 nan 8.250 nan 0.000 0.529 467 V N 2.463 122.420 119.914 0.071 0.000 2.583 467 V HA 0.149 4.271 4.120 0.003 0.000 0.287 467 V C -0.218 175.918 176.094 0.069 0.000 1.051 467 V CA -0.252 62.121 62.300 0.122 0.000 1.010 467 V CB 0.256 32.111 31.823 0.053 0.000 0.988 467 V HN -0.046 nan 8.190 nan 0.000 0.478 468 F N 2.747 122.706 119.950 0.015 0.000 2.426 468 F HA 0.418 4.916 4.527 -0.048 0.000 0.348 468 F C 1.243 177.062 175.800 0.032 0.000 1.124 468 F CA -0.743 57.276 58.000 0.032 0.000 1.008 468 F CB 1.471 40.491 39.000 0.033 0.000 1.139 468 F HN 0.561 nan 8.300 nan 0.000 0.452 469 E N 2.149 122.445 120.200 0.159 0.000 2.204 469 E HA 0.100 4.452 4.350 0.003 0.000 0.194 469 E C 1.611 178.282 176.600 0.118 0.000 0.989 469 E CA 0.668 57.132 56.400 0.107 0.000 0.824 469 E CB -0.019 29.717 29.700 0.061 0.000 0.756 469 E HN 0.948 nan 8.360 nan 0.000 0.477 470 G N 1.575 110.469 108.800 0.157 0.000 2.552 470 G HA2 -0.441 3.521 3.960 0.003 0.000 0.265 470 G HA3 -0.441 3.521 3.960 0.003 0.000 0.265 470 G C 0.182 175.127 174.900 0.076 0.000 1.234 470 G CA 0.066 45.239 45.100 0.121 0.000 0.944 470 G HN 0.336 nan 8.290 nan 0.000 0.568 471 N N -1.156 117.580 118.700 0.060 0.000 2.725 471 N HA -0.182 4.560 4.740 0.003 0.000 0.249 471 N C 0.205 175.733 175.510 0.030 0.000 1.103 471 N CA 1.870 54.956 53.050 0.059 0.000 0.707 471 N CB -0.569 37.963 38.487 0.074 0.000 1.043 471 N HN 0.834 nan 8.380 nan 0.000 0.553 472 R N 0.663 121.166 120.500 0.004 0.000 2.229 472 R HA 0.402 4.743 4.340 0.003 0.000 0.332 472 R C -2.160 174.107 176.300 -0.056 0.000 0.989 472 R CA -1.508 54.565 56.100 -0.046 0.000 0.842 472 R CB 1.110 31.373 30.300 -0.063 0.000 1.119 472 R HN 0.150 nan 8.270 nan 0.000 0.456 473 P HA 0.132 nan 4.420 nan 0.000 0.279 473 P C -0.873 176.410 177.300 -0.028 0.000 1.239 473 P CA -0.331 62.758 63.100 -0.018 0.000 0.789 473 P CB 1.613 33.295 31.700 -0.029 0.000 0.933 474 T N -0.857 113.723 114.554 0.043 0.000 2.883 474 T HA 0.485 4.837 4.350 0.003 0.000 0.301 474 T C -0.595 174.208 174.700 0.171 0.000 1.158 474 T CA -0.970 61.175 62.100 0.075 0.000 1.007 474 T CB 1.052 69.871 68.868 -0.083 0.000 1.186 474 T HN 0.293 nan 8.240 nan 0.000 0.499 475 N N 0.020 118.868 118.700 0.246 0.000 2.405 475 N HA 0.619 5.361 4.740 0.003 0.000 0.299 475 N C -1.087 174.592 175.510 0.282 0.000 1.075 475 N CA -0.847 52.381 53.050 0.296 0.000 0.884 475 N CB 1.703 40.405 38.487 0.358 0.000 1.194 475 N HN 0.520 nan 8.380 nan 0.000 0.491 476 S N 1.565 117.431 115.700 0.277 0.000 2.498 476 S HA 0.466 4.938 4.470 0.003 0.000 0.317 476 S C -0.561 174.288 174.600 0.414 0.000 1.090 476 S CA -0.516 57.887 58.200 0.340 0.000 1.089 476 S CB 0.335 63.673 63.200 0.230 0.000 0.997 476 S HN 0.355 nan 8.310 nan 0.000 0.470 477 I N 3.949 124.811 120.570 0.486 0.000 2.390 477 I HA 0.407 4.579 4.170 0.003 0.000 0.283 477 I C -0.842 175.503 176.117 0.380 0.000 1.016 477 I CA -0.591 60.967 61.300 0.430 0.000 1.151 477 I CB 1.341 39.607 38.000 0.443 0.000 1.293 477 I HN 0.243 nan 8.210 nan 0.000 0.458 478 V N 7.106 127.175 119.914 0.258 0.000 2.555 478 V HA 0.588 4.710 4.120 0.003 0.000 0.302 478 V C -0.492 175.652 176.094 0.084 0.000 1.038 478 V CA -0.688 61.581 62.300 -0.053 0.000 0.887 478 V CB 1.591 33.380 31.823 -0.056 0.000 0.991 478 V HN 0.541 nan 8.190 nan 0.000 0.434 479 F N -0.142 119.831 119.950 0.038 0.000 2.626 479 F HA 0.610 5.140 4.527 0.004 0.000 0.311 479 F C 1.117 176.945 175.800 0.047 0.000 1.088 479 F CA -0.860 57.175 58.000 0.058 0.000 0.949 479 F CB 1.077 40.113 39.000 0.060 0.000 1.322 479 F HN 0.286 nan 8.300 nan 0.000 0.461 480 T N -0.733 113.963 114.554 0.237 0.000 2.684 480 T HA -0.108 4.244 4.350 0.003 0.000 0.267 480 T C 0.246 175.015 174.700 0.116 0.000 1.036 480 T CA 1.701 63.877 62.100 0.126 0.000 1.148 480 T CB -0.195 68.751 68.868 0.131 0.000 0.863 480 T HN 0.574 nan 8.240 nan 0.000 0.436 481 K N -0.244 120.296 120.400 0.233 0.000 2.572 481 K HA 0.344 4.666 4.320 0.003 0.000 0.263 481 K C -2.084 174.718 176.600 0.338 0.000 0.932 481 K CA -0.727 55.688 56.287 0.212 0.000 0.838 481 K CB 1.478 34.057 32.500 0.132 0.000 1.366 481 K HN -0.076 nan 8.250 nan 0.000 0.425 482 L N 4.200 125.625 121.223 0.337 0.000 2.395 482 L HA 0.190 4.532 4.340 0.003 0.000 0.268 482 L C -0.154 176.822 176.870 0.177 0.000 1.223 482 L CA 0.424 55.432 54.840 0.280 0.000 1.093 482 L CB -0.269 41.979 42.059 0.316 0.000 1.349 482 L HN 0.657 nan 8.230 nan 0.000 0.427 483 T N 0.629 115.239 114.554 0.093 0.000 2.881 483 T HA 0.466 4.818 4.350 0.003 0.000 0.278 483 T C -1.732 172.847 174.700 -0.202 0.000 0.982 483 T CA -1.801 60.244 62.100 -0.091 0.000 0.989 483 T CB 1.098 69.944 68.868 -0.037 0.000 1.058 483 T HN 0.166 nan 8.240 nan 0.000 0.529 484 P HA -0.072 nan 4.420 nan 0.000 0.215 484 P C 1.239 178.486 177.300 -0.087 0.000 1.157 484 P CA 0.903 63.844 63.100 -0.265 0.000 0.874 484 P CB -0.141 31.364 31.700 -0.325 0.000 0.790 485 F N -0.046 119.798 119.950 -0.178 0.000 2.069 485 F HA -0.206 4.322 4.527 0.003 0.000 0.298 485 F C 2.013 177.761 175.800 -0.087 0.000 1.113 485 F CA 1.484 59.410 58.000 -0.123 0.000 1.214 485 F CB -0.490 38.411 39.000 -0.165 0.000 0.978 485 F HN -0.245 nan 8.300 nan 0.000 0.474 486 I N 0.115 120.794 120.570 0.181 0.000 2.252 486 I HA -0.227 3.945 4.170 0.003 0.000 0.245 486 I C 2.415 178.463 176.117 -0.114 0.000 1.102 486 I CA 1.051 62.380 61.300 0.048 0.000 1.385 486 I CB -1.445 36.593 38.000 0.064 0.000 1.064 486 I HN 0.292 nan 8.210 nan 0.000 0.414 487 L N 1.578 122.744 121.223 -0.095 0.000 2.042 487 L HA -0.101 4.241 4.340 0.003 0.000 0.210 487 L C 2.392 179.279 176.870 0.027 0.000 1.076 487 L CA 2.274 57.074 54.840 -0.066 0.000 0.749 487 L CB -1.228 40.801 42.059 -0.049 0.000 0.893 487 L HN 0.205 nan 8.230 nan 0.000 0.432 488 G N -1.160 107.643 108.800 0.006 0.000 2.418 488 G HA2 -0.254 3.708 3.960 0.003 0.000 0.217 488 G HA3 -0.254 3.708 3.960 0.003 0.000 0.217 488 G C 1.600 176.549 174.900 0.081 0.000 1.158 488 G CA 0.840 46.026 45.100 0.144 0.000 0.771 488 G HN 0.656 nan 8.290 nan 0.000 0.545 489 A N 0.524 123.285 122.820 -0.099 0.000 1.902 489 A HA 0.105 4.427 4.320 0.003 0.000 0.217 489 A C 2.447 180.070 177.584 0.064 0.000 1.181 489 A CA 1.270 53.281 52.037 -0.043 0.000 0.623 489 A CB -0.407 18.524 19.000 -0.115 0.000 0.818 489 A HN 0.353 nan 8.150 nan 0.000 0.443 490 L N -0.647 120.611 121.223 0.058 0.000 2.046 490 L HA -0.185 4.157 4.340 0.003 0.000 0.208 490 L C 2.489 179.607 176.870 0.413 0.000 1.077 490 L CA 1.305 56.240 54.840 0.158 0.000 0.747 490 L CB -0.522 41.572 42.059 0.057 0.000 0.896 490 L HN 0.385 nan 8.230 nan 0.000 0.432 491 I N -0.159 120.697 120.570 0.476 0.000 2.142 491 I HA -0.281 3.891 4.170 0.003 0.000 0.240 491 I C 2.823 179.265 176.117 0.541 0.000 1.078 491 I CA 1.232 62.931 61.300 0.665 0.000 1.343 491 I CB -0.556 37.763 38.000 0.532 0.000 1.046 491 I HN 0.181 nan 8.210 nan 0.000 0.405 492 A N 0.477 123.485 122.820 0.312 0.000 1.948 492 A HA -0.293 4.029 4.320 0.003 0.000 0.220 492 A C 2.424 179.981 177.584 -0.044 0.000 1.177 492 A CA 2.086 54.136 52.037 0.021 0.000 0.636 492 A CB -0.743 18.199 19.000 -0.097 0.000 0.815 492 A HN 0.493 nan 8.150 nan 0.000 0.449 493 M N -1.953 117.685 119.600 0.063 0.000 2.108 493 M HA -0.196 4.286 4.480 0.003 0.000 0.261 493 M C 2.014 178.238 176.300 -0.126 0.000 1.066 493 M CA 1.933 57.215 55.300 -0.029 0.000 1.107 493 M CB -0.249 32.293 32.600 -0.097 0.000 1.356 493 M HN 0.537 nan 8.290 nan 0.000 0.406 494 Y N 0.513 120.800 120.300 -0.022 0.000 2.220 494 Y HA -0.178 4.373 4.550 0.003 0.000 0.291 494 Y C 2.271 178.149 175.900 -0.036 0.000 1.129 494 Y CA 1.594 59.574 58.100 -0.201 0.000 1.161 494 Y CB -0.228 37.730 38.460 -0.837 0.000 0.997 494 Y HN 0.331 nan 8.280 nan 0.000 0.522 495 E N -0.568 119.803 120.200 0.285 0.000 2.070 495 E HA -0.266 4.086 4.350 0.003 0.000 0.197 495 E C 1.823 178.539 176.600 0.194 0.000 1.004 495 E CA 1.622 58.208 56.400 0.311 0.000 0.805 495 E CB -0.252 29.594 29.700 0.244 0.000 0.744 495 E HN 0.589 nan 8.360 nan 0.000 0.451 496 H N 0.432 119.551 119.070 0.082 0.000 2.428 496 H HA -0.018 4.540 4.556 0.003 0.000 0.296 496 H C 2.019 177.263 175.328 -0.141 0.000 1.062 496 H CA 1.008 56.944 56.048 -0.187 0.000 1.350 496 H CB -0.150 29.090 29.762 -0.869 0.000 1.403 496 H HN 0.115 nan 8.280 nan 0.000 0.533 497 K N 1.085 121.484 120.400 -0.001 0.000 2.044 497 K HA -0.144 4.178 4.320 0.003 0.000 0.210 497 K C 2.139 178.765 176.600 0.042 0.000 1.049 497 K CA 1.464 57.742 56.287 -0.014 0.000 0.927 497 K CB -0.203 32.278 32.500 -0.031 0.000 0.713 497 K HN 0.129 nan 8.250 nan 0.000 0.443 498 I N 0.629 121.278 120.570 0.132 0.000 2.208 498 I HA -0.273 3.899 4.170 0.003 0.000 0.245 498 I C 2.303 178.535 176.117 0.190 0.000 1.097 498 I CA 1.112 62.510 61.300 0.163 0.000 1.363 498 I CB -0.327 37.816 38.000 0.239 0.000 1.051 498 I HN 0.198 nan 8.210 nan 0.000 0.413 499 F N 1.272 121.309 119.950 0.145 0.000 2.069 499 F HA -0.210 4.318 4.527 0.003 0.000 0.298 499 F C 2.354 178.234 175.800 0.133 0.000 1.113 499 F CA 1.680 59.807 58.000 0.211 0.000 1.214 499 F CB -0.712 38.535 39.000 0.411 0.000 0.978 499 F HN -0.197 nan 8.300 nan 0.000 0.474 500 V N 0.761 120.625 119.914 -0.083 0.000 2.332 500 V HA -0.350 3.772 4.120 0.003 0.000 0.248 500 V C 2.412 178.310 176.094 -0.327 0.000 1.055 500 V CA 2.351 64.511 62.300 -0.235 0.000 1.038 500 V CB -0.981 30.800 31.823 -0.069 0.000 0.651 500 V HN 0.427 nan 8.190 nan 0.000 0.450 501 Q N 0.028 119.621 119.800 -0.344 0.000 2.084 501 Q HA -0.147 4.195 4.340 0.003 0.000 0.202 501 Q C 2.438 178.024 176.000 -0.690 0.000 0.978 501 Q CA 1.711 57.078 55.803 -0.726 0.000 0.844 501 Q CB -0.602 27.673 28.738 -0.772 0.000 0.898 501 Q HN 0.728 nan 8.270 nan 0.000 0.426 502 G N 1.280 109.951 108.800 -0.216 0.000 2.440 502 G HA2 -0.234 3.728 3.960 0.003 0.000 0.218 502 G HA3 -0.234 3.728 3.960 0.003 0.000 0.218 502 G C 1.382 176.281 174.900 -0.001 0.000 1.154 502 G CA 0.640 45.767 45.100 0.045 0.000 0.767 502 G HN 0.161 nan 8.290 nan 0.000 0.552 503 I N 0.899 121.367 120.570 -0.169 0.000 2.179 503 I HA -0.105 4.067 4.170 0.003 0.000 0.242 503 I C 2.891 178.937 176.117 -0.118 0.000 1.088 503 I CA 1.052 62.266 61.300 -0.143 0.000 1.357 503 I CB -1.059 36.755 38.000 -0.310 0.000 1.051 503 I HN 0.237 nan 8.210 nan 0.000 0.409 504 M N -1.201 118.254 119.600 -0.242 0.000 2.159 504 M HA -0.224 4.257 4.480 0.003 0.000 0.263 504 M C 1.950 178.159 176.300 -0.151 0.000 1.063 504 M CA 1.639 56.785 55.300 -0.256 0.000 1.110 504 M CB -0.368 32.000 32.600 -0.387 0.000 1.374 504 M HN 0.274 nan 8.290 nan 0.000 0.411 505 W N 0.116 121.395 121.300 -0.034 0.000 2.800 505 W HA 0.012 4.673 4.660 0.002 0.000 0.249 505 W C 0.457 177.033 176.519 0.094 0.000 1.294 505 W CA 0.507 57.873 57.345 0.036 0.000 1.402 505 W CB -0.857 28.682 29.460 0.132 0.000 1.126 505 W HN 0.355 nan 8.180 nan 0.000 0.652 506 D N -0.301 120.241 120.400 0.236 0.000 2.981 506 D HA -0.210 4.432 4.640 0.003 0.000 0.223 506 D C -0.222 176.234 176.300 0.260 0.000 1.151 506 D CA 0.986 55.102 54.000 0.193 0.000 0.827 506 D CB -1.413 39.470 40.800 0.137 0.000 1.101 506 D HN 0.198 nan 8.370 nan 0.000 0.426 507 I N -3.455 117.296 120.570 0.301 0.000 2.947 507 I HA 0.560 4.732 4.170 0.003 0.000 0.314 507 I C 0.385 176.671 176.117 0.282 0.000 1.028 507 I CA -0.982 60.493 61.300 0.292 0.000 1.077 507 I CB 1.075 39.227 38.000 0.254 0.000 1.274 507 I HN -0.113 nan 8.210 nan 0.000 0.485 508 N N 1.593 120.396 118.700 0.171 0.000 2.462 508 N HA 0.252 4.994 4.740 0.003 0.000 0.242 508 N C 0.066 175.549 175.510 -0.046 0.000 1.010 508 N CA -0.012 53.021 53.050 -0.028 0.000 0.939 508 N CB 0.920 39.208 38.487 -0.330 0.000 1.127 508 N HN 0.670 nan 8.380 nan 0.000 0.509 509 S N 2.517 118.089 115.700 -0.213 0.000 2.555 509 S HA 0.081 4.553 4.470 0.003 0.000 0.230 509 S C 0.566 174.815 174.600 -0.585 0.000 0.978 509 S CA 0.480 58.387 58.200 -0.488 0.000 0.934 509 S CB -0.200 62.520 63.200 -0.800 0.000 0.766 509 S HN 0.627 nan 8.310 nan 0.000 0.533 510 F N 0.893 120.923 119.950 0.133 0.000 2.706 510 F HA 0.255 4.784 4.527 0.003 0.000 0.313 510 F C 0.593 176.420 175.800 0.044 0.000 1.096 510 F CA -0.856 57.218 58.000 0.124 0.000 1.219 510 F CB 0.384 39.441 39.000 0.096 0.000 1.051 510 F HN 0.091 nan 8.300 nan 0.000 0.568 511 D N -0.208 120.242 120.400 0.083 0.000 2.487 511 D HA 0.311 4.953 4.640 0.003 0.000 0.262 511 D C -0.130 176.100 176.300 -0.117 0.000 1.130 511 D CA -0.580 53.372 54.000 -0.080 0.000 1.038 511 D CB 0.624 41.363 40.800 -0.101 0.000 1.142 511 D HN 0.039 nan 8.370 nan 0.000 0.575 512 Q N -0.602 119.016 119.800 -0.304 0.000 3.214 512 Q HA 0.120 4.461 4.340 0.003 0.000 0.277 512 Q C -0.697 175.195 176.000 -0.179 0.000 0.737 512 Q CA -0.531 55.174 55.803 -0.163 0.000 0.971 512 Q CB -1.274 27.397 28.738 -0.111 0.000 1.528 512 Q HN 0.737 nan 8.270 nan 0.000 0.375 513 W N 0.918 122.251 121.300 0.056 0.000 2.525 513 W HA 0.094 4.756 4.660 0.003 0.000 0.259 513 W C 1.917 178.469 176.519 0.055 0.000 1.253 513 W CA 1.064 58.443 57.345 0.056 0.000 1.262 513 W CB 0.244 29.741 29.460 0.061 0.000 1.122 513 W HN 0.602 nan 8.180 nan 0.000 0.607 514 G N 0.294 109.227 108.800 0.222 0.000 2.776 514 G HA2 -0.116 3.846 3.960 0.003 0.000 0.209 514 G HA3 -0.116 3.846 3.960 0.003 0.000 0.209 514 G C 1.313 176.266 174.900 0.088 0.000 1.145 514 G CA 1.030 46.218 45.100 0.148 0.000 0.791 514 G HN 0.291 nan 8.290 nan 0.000 0.530 515 V N -2.821 117.134 119.914 0.069 0.000 3.235 515 V HA 0.194 4.315 4.120 0.003 0.000 0.259 515 V C 1.944 178.072 176.094 0.058 0.000 1.133 515 V CA 1.438 63.761 62.300 0.038 0.000 1.128 515 V CB 0.070 31.894 31.823 0.001 0.000 0.757 515 V HN 0.348 nan 8.190 nan 0.000 0.469 516 E N 0.247 120.510 120.200 0.104 0.000 2.051 516 E HA -0.201 4.151 4.350 0.003 0.000 0.192 516 E C 2.067 178.719 176.600 0.088 0.000 0.991 516 E CA 1.671 58.142 56.400 0.119 0.000 0.799 516 E CB -0.132 29.689 29.700 0.203 0.000 0.748 516 E HN 0.559 nan 8.360 nan 0.000 0.449 517 L N 0.474 121.747 121.223 0.083 0.000 2.012 517 L HA -0.087 4.255 4.340 0.003 0.000 0.210 517 L C 2.212 179.108 176.870 0.044 0.000 1.073 517 L CA 2.430 57.307 54.840 0.061 0.000 0.748 517 L CB -1.049 41.042 42.059 0.054 0.000 0.891 517 L HN 0.169 nan 8.230 nan 0.000 0.431 518 G N -0.936 107.884 108.800 0.033 0.000 2.442 518 G HA2 -0.287 3.675 3.960 0.003 0.000 0.219 518 G HA3 -0.287 3.675 3.960 0.003 0.000 0.219 518 G C 1.705 176.617 174.900 0.021 0.000 1.141 518 G CA 0.949 46.061 45.100 0.019 0.000 0.763 518 G HN 0.428 nan 8.290 nan 0.000 0.554 519 K N -0.053 120.364 120.400 0.028 0.000 2.026 519 K HA -0.089 4.233 4.320 0.003 0.000 0.208 519 K C 2.773 179.393 176.600 0.033 0.000 1.048 519 K CA 1.392 57.695 56.287 0.027 0.000 0.929 519 K CB -0.188 32.330 32.500 0.031 0.000 0.713 519 K HN 0.366 nan 8.250 nan 0.000 0.439 520 Q N 0.616 120.442 119.800 0.043 0.000 2.050 520 Q HA -0.115 4.227 4.340 0.003 0.000 0.202 520 Q C 2.201 178.229 176.000 0.047 0.000 0.980 520 Q CA 1.256 57.087 55.803 0.047 0.000 0.840 520 Q CB -0.104 28.666 28.738 0.053 0.000 0.898 520 Q HN 0.292 nan 8.270 nan 0.000 0.424 521 L N 0.007 121.257 121.223 0.044 0.000 2.141 521 L HA -0.147 4.195 4.340 0.003 0.000 0.209 521 L C 2.474 179.364 176.870 0.035 0.000 1.094 521 L CA 0.785 55.654 54.840 0.049 0.000 0.763 521 L CB -0.607 41.474 42.059 0.036 0.000 0.908 521 L HN 0.228 nan 8.230 nan 0.000 0.437 522 A N -0.264 122.568 122.820 0.020 0.000 1.898 522 A HA -0.169 4.153 4.320 0.003 0.000 0.216 522 A C 2.304 179.901 177.584 0.022 0.000 1.181 522 A CA 1.279 53.322 52.037 0.010 0.000 0.620 522 A CB -0.271 18.732 19.000 0.006 0.000 0.819 522 A HN 0.128 nan 8.150 nan 0.000 0.442 523 K N 0.247 120.664 120.400 0.029 0.000 2.152 523 K HA -0.096 4.226 4.320 0.003 0.000 0.206 523 K C 1.828 178.453 176.600 0.042 0.000 1.048 523 K CA 1.530 57.836 56.287 0.031 0.000 0.933 523 K CB -0.292 32.227 32.500 0.031 0.000 0.721 523 K HN 0.559 nan 8.250 nan 0.000 0.447 524 K N 0.054 120.489 120.400 0.059 0.000 2.103 524 K HA 0.041 4.363 4.320 0.003 0.000 0.204 524 K C 2.160 178.825 176.600 0.108 0.000 1.052 524 K CA 0.819 57.158 56.287 0.086 0.000 0.945 524 K CB 0.013 32.586 32.500 0.121 0.000 0.722 524 K HN 0.065 nan 8.250 nan 0.000 0.443 525 I N 0.719 121.339 120.570 0.083 0.000 2.406 525 I HA -0.175 3.997 4.170 0.003 0.000 0.249 525 I C 1.982 178.125 176.117 0.043 0.000 1.122 525 I CA 0.818 62.154 61.300 0.060 0.000 1.431 525 I CB -0.124 37.853 38.000 -0.039 0.000 1.087 525 I HN 0.172 nan 8.210 nan 0.000 0.424 526 E N 1.306 121.525 120.200 0.031 0.000 2.068 526 E HA -0.251 4.101 4.350 0.003 0.000 0.207 526 E C -0.604 176.012 176.600 0.027 0.000 1.032 526 E CA 2.066 58.479 56.400 0.023 0.000 0.839 526 E CB -1.042 28.669 29.700 0.019 0.000 0.758 526 E HN 0.435 nan 8.360 nan 0.000 0.457 527 P HA -0.119 nan 4.420 nan 0.000 0.223 527 P C 0.425 177.745 177.300 0.033 0.000 1.151 527 P CA 1.213 64.330 63.100 0.029 0.000 0.787 527 P CB 0.048 31.765 31.700 0.027 0.000 0.788 528 E N -0.276 119.953 120.200 0.048 0.000 2.274 528 E HA -0.011 4.341 4.350 0.003 0.000 0.194 528 E C 2.050 178.676 176.600 0.043 0.000 0.996 528 E CA 0.394 56.828 56.400 0.057 0.000 0.840 528 E CB -0.349 29.413 29.700 0.102 0.000 0.772 528 E HN 0.297 nan 8.360 nan 0.000 0.491 529 L N 0.969 122.211 121.223 0.033 0.000 2.109 529 L HA -0.063 4.278 4.340 0.003 0.000 0.207 529 L C 1.439 178.319 176.870 0.017 0.000 1.086 529 L CA 0.388 55.241 54.840 0.023 0.000 0.760 529 L CB -0.279 41.789 42.059 0.017 0.000 0.910 529 L HN 0.114 nan 8.230 nan 0.000 0.437 530 E N 0.579 120.788 120.200 0.015 0.000 2.414 530 E HA 0.346 4.698 4.350 0.003 0.000 0.263 530 E C 0.331 176.937 176.600 0.010 0.000 1.000 530 E CA 0.666 57.072 56.400 0.010 0.000 0.914 530 E CB 0.447 30.153 29.700 0.010 0.000 0.948 530 E HN 0.259 nan 8.360 nan 0.000 0.444 531 G N 2.585 111.388 108.800 0.005 0.000 2.756 531 G HA2 -0.239 3.722 3.960 0.003 0.000 0.678 531 G HA3 -0.239 3.722 3.960 0.003 0.000 0.678 531 G C 0.425 175.327 174.900 0.004 0.000 1.349 531 G CA -0.068 45.035 45.100 0.004 0.000 0.847 531 G HN 1.053 nan 8.290 nan 0.000 0.548 532 S N -1.344 114.357 115.700 0.002 0.000 2.503 532 S HA 0.415 4.887 4.470 0.003 0.000 0.215 532 S C 1.515 176.118 174.600 0.005 0.000 1.003 532 S CA 1.186 59.386 58.200 0.001 0.000 0.910 532 S CB -0.020 63.178 63.200 -0.002 0.000 0.790 532 S HN 2.380 nan 8.310 nan 0.000 0.514 533 S N 2.001 117.706 115.700 0.008 0.000 2.560 533 S HA 0.572 5.044 4.470 0.003 0.000 0.284 533 S C 0.364 174.974 174.600 0.017 0.000 1.327 533 S CA -0.343 57.864 58.200 0.011 0.000 1.055 533 S CB 0.415 63.621 63.200 0.011 0.000 0.868 533 S HN 0.746 nan 8.310 nan 0.000 0.506 534 A N 3.497 126.327 122.820 0.018 0.000 2.462 534 A HA 0.493 4.815 4.320 0.003 0.000 0.243 534 A C 0.030 177.634 177.584 0.032 0.000 1.076 534 A CA -0.584 51.468 52.037 0.025 0.000 0.773 534 A CB -0.022 18.992 19.000 0.023 0.000 1.010 534 A HN 1.026 nan 8.150 nan 0.000 0.493 535 V N 2.695 122.638 119.914 0.048 0.000 2.370 535 V HA 0.431 4.553 4.120 0.003 0.000 0.279 535 V C 1.058 177.194 176.094 0.069 0.000 1.029 535 V CA 0.510 62.850 62.300 0.067 0.000 0.870 535 V CB 1.163 33.051 31.823 0.108 0.000 0.984 535 V HN 1.128 nan 8.190 nan 0.000 0.451 536 T N -1.463 113.114 114.554 0.039 0.000 3.091 536 T HA 0.013 4.365 4.350 0.003 0.000 0.277 536 T C 1.319 176.011 174.700 -0.014 0.000 0.996 536 T CA 0.441 62.556 62.100 0.025 0.000 0.897 536 T CB 0.223 69.098 68.868 0.011 0.000 1.109 536 T HN 0.633 nan 8.240 nan 0.000 0.534 537 S N 0.512 116.164 115.700 -0.080 0.000 2.603 537 S HA 0.145 4.617 4.470 0.003 0.000 0.220 537 S C 0.599 174.959 174.600 -0.401 0.000 0.967 537 S CA -0.430 57.623 58.200 -0.246 0.000 0.920 537 S CB -0.513 62.492 63.200 -0.326 0.000 0.773 537 S HN 0.673 nan 8.310 nan 0.000 0.529 538 H N 1.472 120.546 119.070 0.008 0.000 2.960 538 H HA 0.384 4.942 4.556 0.003 0.000 0.302 538 H C -0.551 174.780 175.328 0.005 0.000 1.515 538 H CA -0.462 55.590 56.048 0.007 0.000 1.431 538 H CB 0.096 29.863 29.762 0.008 0.000 1.890 538 H HN 0.409 nan 8.280 nan 0.000 0.762 539 D N -0.744 119.748 120.400 0.153 0.000 2.362 539 D HA -0.051 4.591 4.640 0.003 0.000 0.238 539 D C 1.211 177.552 176.300 0.069 0.000 1.212 539 D CA 0.200 54.246 54.000 0.077 0.000 0.902 539 D CB 0.682 41.514 40.800 0.054 0.000 1.180 539 D HN 0.448 nan 8.370 nan 0.000 0.445 540 S N 0.048 115.773 115.700 0.040 0.000 2.419 540 S HA -0.246 4.226 4.470 0.003 0.000 0.233 540 S C 1.935 176.550 174.600 0.025 0.000 1.016 540 S CA 0.923 59.142 58.200 0.033 0.000 0.974 540 S CB -0.655 62.557 63.200 0.020 0.000 0.786 540 S HN 0.520 nan 8.310 nan 0.000 0.492 541 S N 1.685 117.394 115.700 0.014 0.000 2.338 541 S HA -0.125 4.347 4.470 0.003 0.000 0.218 541 S C 2.007 176.604 174.600 -0.005 0.000 1.032 541 S CA 1.939 60.136 58.200 -0.004 0.000 0.999 541 S CB -1.338 61.853 63.200 -0.015 0.000 0.905 541 S HN 0.687 nan 8.310 nan 0.000 0.439 542 T N 3.057 117.607 114.554 -0.006 0.000 2.665 542 T HA -0.113 4.239 4.350 0.003 0.000 0.268 542 T C 1.762 176.460 174.700 -0.002 0.000 1.035 542 T CA 1.680 63.756 62.100 -0.041 0.000 1.151 542 T CB -0.747 68.061 68.868 -0.101 0.000 0.862 542 T HN 0.421 nan 8.240 nan 0.000 0.438 543 N N 1.091 119.827 118.700 0.060 0.000 2.069 543 N HA -0.067 4.675 4.740 0.003 0.000 0.191 543 N C 2.201 177.746 175.510 0.059 0.000 1.031 543 N CA 1.497 54.596 53.050 0.081 0.000 0.852 543 N CB -0.998 37.541 38.487 0.085 0.000 1.018 543 N HN 0.518 nan 8.380 nan 0.000 0.423 544 G N 1.016 109.842 108.800 0.044 0.000 2.422 544 G HA2 -0.135 3.827 3.960 0.003 0.000 0.218 544 G HA3 -0.135 3.827 3.960 0.003 0.000 0.218 544 G C 1.692 176.631 174.900 0.066 0.000 1.146 544 G CA 0.345 45.474 45.100 0.047 0.000 0.769 544 G HN 0.233 nan 8.290 nan 0.000 0.547 545 L N -0.099 121.147 121.223 0.039 0.000 2.093 545 L HA 0.071 4.413 4.340 0.003 0.000 0.208 545 L C 2.776 179.713 176.870 0.113 0.000 1.085 545 L CA 0.493 55.367 54.840 0.057 0.000 0.755 545 L CB -0.282 41.778 42.059 0.002 0.000 0.904 545 L HN 0.167 nan 8.230 nan 0.000 0.435 546 I N -0.828 119.783 120.570 0.068 0.000 2.252 546 I HA -0.265 3.907 4.170 0.003 0.000 0.245 546 I C 2.615 178.780 176.117 0.080 0.000 1.102 546 I CA 1.030 62.368 61.300 0.063 0.000 1.385 546 I CB -0.174 37.852 38.000 0.044 0.000 1.064 546 I HN 0.156 nan 8.210 nan 0.000 0.414 547 S N 0.671 116.424 115.700 0.089 0.000 2.359 547 S HA -0.238 4.234 4.470 0.003 0.000 0.224 547 S C 1.901 176.563 174.600 0.104 0.000 1.035 547 S CA 1.603 59.853 58.200 0.083 0.000 1.018 547 S CB -0.534 62.715 63.200 0.082 0.000 0.876 547 S HN 0.407 nan 8.310 nan 0.000 0.448 548 F N 1.956 121.906 119.950 0.000 0.000 2.095 548 F HA -0.135 4.394 4.527 0.003 0.000 0.298 548 F C 1.889 177.688 175.800 -0.002 0.000 1.104 548 F CA 1.194 59.193 58.000 -0.001 0.000 1.232 548 F CB -0.411 38.587 39.000 -0.004 0.000 0.987 548 F HN 0.114 nan 8.300 nan 0.000 0.475 549 I N 0.374 121.003 120.570 0.099 0.000 2.163 549 I HA -0.353 3.819 4.170 0.003 0.000 0.243 549 I C 2.360 178.434 176.117 -0.072 0.000 1.085 549 I CA 1.676 62.976 61.300 -0.001 0.000 1.347 549 I CB -0.477 37.558 38.000 0.059 0.000 1.044 549 I HN 0.082 nan 8.210 nan 0.000 0.408 550 K N -0.007 120.371 120.400 -0.037 0.000 2.097 550 K HA -0.221 4.101 4.320 0.003 0.000 0.205 550 K C 2.142 178.695 176.600 -0.078 0.000 1.050 550 K CA 1.122 57.384 56.287 -0.041 0.000 0.938 550 K CB -0.233 32.260 32.500 -0.011 0.000 0.718 550 K HN 0.408 nan 8.250 nan 0.000 0.442 551 Q N 0.502 120.235 119.800 -0.113 0.000 2.172 551 Q HA -0.131 4.211 4.340 0.003 0.000 0.200 551 Q C 1.722 177.595 176.000 -0.212 0.000 0.964 551 Q CA 1.102 56.820 55.803 -0.142 0.000 0.855 551 Q CB 0.378 29.036 28.738 -0.133 0.000 0.918 551 Q HN 0.255 nan 8.270 nan 0.000 0.444 552 Q N -0.187 119.416 119.800 -0.330 0.000 2.408 552 Q HA -0.026 4.316 4.340 0.003 0.000 0.205 552 Q C 1.734 177.619 176.000 -0.192 0.000 0.919 552 Q CA 0.501 56.093 55.803 -0.353 0.000 0.932 552 Q CB 0.231 28.573 28.738 -0.660 0.000 1.058 552 Q HN 0.481 nan 8.270 nan 0.000 0.517 553 R N 0.160 120.576 120.500 -0.138 0.000 2.235 553 R HA -0.017 4.325 4.340 0.003 0.000 0.213 553 R C 0.302 176.567 176.300 -0.059 0.000 1.059 553 R CA 1.227 57.279 56.100 -0.080 0.000 0.997 553 R CB 0.122 30.390 30.300 -0.054 0.000 0.884 553 R HN -0.025 nan 8.270 nan 0.000 0.462 554 D N 0.689 121.050 120.400 -0.064 0.000 2.398 554 D HA 0.044 4.685 4.640 0.003 0.000 0.210 554 D C -0.267 176.006 176.300 -0.045 0.000 1.094 554 D CA 0.179 54.152 54.000 -0.045 0.000 0.839 554 D CB 0.726 41.503 40.800 -0.039 0.000 0.963 554 D HN 0.082 nan 8.370 nan 0.000 0.506 555 T N 1.539 116.058 114.554 -0.059 0.000 2.834 555 T HA 0.097 4.449 4.350 0.003 0.000 0.298 555 T C 0.476 175.156 174.700 -0.034 0.000 0.966 555 T CA 0.130 62.200 62.100 -0.050 0.000 1.141 555 T CB 1.261 70.088 68.868 -0.068 0.000 0.905 555 T HN -0.165 nan 8.240 nan 0.000 0.535 556 K N 3.783 124.169 120.400 -0.024 0.000 2.267 556 K HA 0.430 4.752 4.320 0.003 0.000 0.282 556 K C -0.166 176.427 176.600 -0.012 0.000 1.078 556 K CA -0.288 55.989 56.287 -0.016 0.000 0.903 556 K CB 0.471 32.964 32.500 -0.012 0.000 1.111 556 K HN 0.479 nan 8.250 nan 0.000 0.475 557 L N 0.000 121.218 121.223 -0.009 0.000 2.949 557 L HA 0.000 4.342 4.340 0.003 0.000 0.249 557 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 557 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 557 L HN 0.000 nan 8.230 nan 0.000 0.502