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 2cxt_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 0.000 176.329 176.300 0.048 0.000 1.140 1 M CA 0.000 55.330 55.300 0.049 0.000 0.988 1 M CB 0.000 32.642 32.600 0.069 0.000 1.302 2 A N -0.248 122.618 122.820 0.076 0.000 2.387 2 A HA 0.918 5.241 4.320 0.005 0.000 0.303 2 A C 0.624 178.252 177.584 0.075 0.000 1.145 2 A CA 0.039 52.127 52.037 0.086 0.000 0.801 2 A CB 1.127 20.212 19.000 0.142 0.000 1.342 2 A HN 1.012 nan 8.150 nan 0.000 0.440 3 A N -0.265 122.593 122.820 0.063 0.000 1.892 3 A HA -0.117 4.206 4.320 0.005 0.000 0.218 3 A C 1.973 179.547 177.584 -0.017 0.000 1.188 3 A CA 2.246 54.299 52.037 0.027 0.000 0.631 3 A CB -0.877 18.137 19.000 0.024 0.000 0.822 3 A HN 1.417 nan 8.150 nan 0.000 0.447 4 L N 0.337 121.511 121.223 -0.082 0.000 2.017 4 L HA -0.132 4.211 4.340 0.005 0.000 0.208 4 L C 2.700 179.373 176.870 -0.328 0.000 1.073 4 L CA 3.034 57.688 54.840 -0.310 0.000 0.745 4 L CB -0.953 40.714 42.059 -0.653 0.000 0.894 4 L HN 0.567 nan 8.230 nan 0.000 0.432 5 T N -3.606 110.829 114.554 -0.199 0.000 2.995 5 T HA -0.101 4.252 4.350 0.005 0.000 0.269 5 T C 1.927 176.714 174.700 0.145 0.000 1.091 5 T CA 0.800 62.919 62.100 0.031 0.000 1.128 5 T CB -0.434 68.507 68.868 0.122 0.000 0.891 5 T HN 0.340 nan 8.240 nan 0.000 0.492 6 R N 1.262 121.811 120.500 0.081 0.000 2.299 6 R HA 0.188 4.531 4.340 0.005 0.000 0.197 6 R C 0.787 177.138 176.300 0.085 0.000 0.971 6 R CA -0.129 56.019 56.100 0.081 0.000 1.030 6 R CB -0.037 30.295 30.300 0.053 0.000 0.932 6 R HN 0.359 nan 8.270 nan 0.000 0.477 7 N N 1.792 120.550 118.700 0.097 0.000 2.470 7 N HA 0.018 4.761 4.740 0.005 0.000 0.268 7 N C -1.832 173.763 175.510 0.142 0.000 1.136 7 N CA -1.496 51.614 53.050 0.100 0.000 0.961 7 N CB 1.530 40.065 38.487 0.081 0.000 1.067 7 N HN -0.105 nan 8.380 nan 0.000 0.468 8 P HA -0.073 nan 4.420 nan 0.000 0.221 8 P C 0.659 178.006 177.300 0.078 0.000 1.150 8 P CA 1.127 64.275 63.100 0.080 0.000 0.800 8 P CB 0.565 32.296 31.700 0.051 0.000 0.787 9 Q N -1.181 118.667 119.800 0.080 0.000 2.167 9 Q HA -0.079 4.264 4.340 0.005 0.000 0.202 9 Q C 1.927 177.989 176.000 0.102 0.000 0.970 9 Q CA 1.149 56.991 55.803 0.066 0.000 0.855 9 Q CB -1.185 27.580 28.738 0.045 0.000 0.911 9 Q HN 0.225 nan 8.270 nan 0.000 0.438 10 F N 0.953 120.914 119.950 0.018 0.000 2.146 10 F HA -0.165 4.365 4.527 0.005 0.000 0.298 10 F C 1.882 177.718 175.800 0.060 0.000 1.096 10 F CA 1.424 59.444 58.000 0.034 0.000 1.275 10 F CB -0.041 38.967 39.000 0.014 0.000 1.008 10 F HN 0.050 nan 8.300 nan 0.000 0.480 11 Q N 0.214 120.041 119.800 0.046 0.000 2.084 11 Q HA -0.254 4.089 4.340 0.005 0.000 0.202 11 Q C 2.284 178.250 176.000 -0.057 0.000 0.978 11 Q CA 1.934 57.721 55.803 -0.027 0.000 0.844 11 Q CB -0.325 28.456 28.738 0.071 0.000 0.898 11 Q HN 0.418 nan 8.270 nan 0.000 0.426 12 K N 0.620 121.016 120.400 -0.007 0.000 2.057 12 K HA -0.190 4.133 4.320 0.005 0.000 0.207 12 K C 2.043 178.675 176.600 0.054 0.000 1.049 12 K CA 0.936 57.242 56.287 0.032 0.000 0.931 12 K CB -0.098 32.423 32.500 0.035 0.000 0.714 12 K HN 0.104 nan 8.250 nan 0.000 0.440 13 L N 1.159 122.369 121.223 -0.021 0.000 2.017 13 L HA -0.147 4.196 4.340 0.005 0.000 0.208 13 L C 2.152 179.080 176.870 0.097 0.000 1.073 13 L CA 1.306 56.169 54.840 0.037 0.000 0.745 13 L CB -0.521 41.527 42.059 -0.019 0.000 0.894 13 L HN 0.229 nan 8.230 nan 0.000 0.432 14 L N -0.411 120.687 121.223 -0.208 0.000 2.046 14 L HA -0.179 4.164 4.340 0.005 0.000 0.208 14 L C 2.470 179.350 176.870 0.016 0.000 1.077 14 L CA 1.926 56.643 54.840 -0.204 0.000 0.747 14 L CB -0.722 41.056 42.059 -0.468 0.000 0.896 14 L HN 0.432 nan 8.230 nan 0.000 0.432 15 E N -1.257 118.962 120.200 0.032 0.000 2.106 15 E HA -0.300 4.053 4.350 0.005 0.000 0.192 15 E C 2.021 178.697 176.600 0.127 0.000 0.984 15 E CA 1.624 58.063 56.400 0.065 0.000 0.806 15 E CB -0.690 29.040 29.700 0.051 0.000 0.750 15 E HN 0.553 nan 8.360 nan 0.000 0.458 16 W N 0.735 122.057 121.300 0.037 0.000 2.355 16 W HA -0.205 4.457 4.660 0.004 0.000 0.309 16 W C 2.513 179.100 176.519 0.114 0.000 1.206 16 W CA 2.212 59.600 57.345 0.072 0.000 1.284 16 W CB -0.495 29.016 29.460 0.085 0.000 1.145 16 W HN 0.289 nan 8.180 nan 0.000 0.502 17 H N 0.479 119.819 119.070 0.451 0.000 2.319 17 H HA -0.157 4.402 4.556 0.004 0.000 0.299 17 H C 2.293 177.579 175.328 -0.070 0.000 1.092 17 H CA 2.212 58.396 56.048 0.226 0.000 1.302 17 H CB -0.219 29.512 29.762 -0.052 0.000 1.373 17 H HN 0.141 nan 8.280 nan 0.000 0.497 18 R N -0.148 120.369 120.500 0.029 0.000 2.091 18 R HA -0.106 4.238 4.340 0.005 0.000 0.238 18 R C 2.499 178.703 176.300 -0.160 0.000 1.136 18 R CA 1.292 57.357 56.100 -0.058 0.000 0.959 18 R CB -0.181 30.115 30.300 -0.007 0.000 0.856 18 R HN 0.357 nan 8.270 nan 0.000 0.437 19 A N 0.278 122.979 122.820 -0.198 0.000 1.975 19 A HA -0.027 4.296 4.320 0.005 0.000 0.215 19 A C 1.436 178.793 177.584 -0.379 0.000 1.170 19 A CA 0.997 52.880 52.037 -0.257 0.000 0.656 19 A CB 0.082 18.933 19.000 -0.249 0.000 0.821 19 A HN 0.292 nan 8.150 nan 0.000 0.449 20 N N -1.051 117.300 118.700 -0.583 0.000 2.239 20 N HA -0.042 4.701 4.740 0.005 0.000 0.208 20 N C 1.684 176.911 175.510 -0.473 0.000 1.200 20 N CA 1.036 53.647 53.050 -0.732 0.000 0.895 20 N CB 0.182 37.712 38.487 -1.596 0.000 1.085 20 N HN 0.516 nan 8.380 nan 0.000 0.500 21 S N 1.370 116.840 115.700 -0.383 0.000 2.400 21 S HA -0.064 4.409 4.470 0.005 0.000 0.232 21 S C 2.142 176.716 174.600 -0.043 0.000 1.025 21 S CA 1.034 59.144 58.200 -0.150 0.000 0.993 21 S CB -0.289 62.483 63.200 -0.714 0.000 0.808 21 S HN 0.261 nan 8.310 nan 0.000 0.478 22 A N 2.585 125.331 122.820 -0.123 0.000 2.076 22 A HA -0.101 4.222 4.320 0.005 0.000 0.220 22 A C 1.922 179.508 177.584 0.002 0.000 1.160 22 A CA 1.553 53.567 52.037 -0.037 0.000 0.653 22 A CB -0.993 17.968 19.000 -0.065 0.000 0.801 22 A HN 0.801 nan 8.150 nan 0.000 0.455 23 N N -0.661 118.026 118.700 -0.021 0.000 2.463 23 N HA 0.154 4.897 4.740 0.005 0.000 0.181 23 N C -0.293 175.262 175.510 0.075 0.000 1.078 23 N CA -0.159 52.897 53.050 0.010 0.000 0.902 23 N CB -0.064 38.404 38.487 -0.031 0.000 0.970 23 N HN 0.388 nan 8.380 nan 0.000 0.451 24 L N 1.578 122.883 121.223 0.137 0.000 2.385 24 L HA 0.184 4.527 4.340 0.005 0.000 0.281 24 L C -0.244 176.725 176.870 0.165 0.000 1.106 24 L CA 0.202 55.161 54.840 0.199 0.000 0.856 24 L CB 0.372 42.634 42.059 0.339 0.000 1.186 24 L HN -0.061 nan 8.230 nan 0.000 0.453 25 K N 3.068 123.546 120.400 0.129 0.000 2.463 25 K HA 0.344 4.667 4.320 0.005 0.000 0.255 25 K C 0.570 177.242 176.600 0.120 0.000 0.942 25 K CA -0.478 55.878 56.287 0.114 0.000 0.814 25 K CB 1.995 34.548 32.500 0.088 0.000 1.122 25 K HN 0.400 nan 8.250 nan 0.000 0.425 26 L N 1.685 122.993 121.223 0.140 0.000 2.012 26 L HA -0.216 4.127 4.340 0.005 0.000 0.210 26 L C 2.432 179.457 176.870 0.259 0.000 1.073 26 L CA 1.515 56.475 54.840 0.201 0.000 0.748 26 L CB -0.278 41.900 42.059 0.199 0.000 0.891 26 L HN 0.663 nan 8.230 nan 0.000 0.431 27 R N 0.455 121.051 120.500 0.159 0.000 2.096 27 R HA -0.222 4.121 4.340 0.005 0.000 0.240 27 R C 2.164 178.549 176.300 0.142 0.000 1.139 27 R CA 2.015 58.193 56.100 0.130 0.000 0.952 27 R CB -0.138 30.204 30.300 0.069 0.000 0.854 27 R HN 0.436 nan 8.270 nan 0.000 0.436 28 E N 0.186 120.450 120.200 0.107 0.000 2.106 28 E HA -0.177 4.176 4.350 0.005 0.000 0.192 28 E C 2.130 178.770 176.600 0.066 0.000 0.984 28 E CA 1.203 57.650 56.400 0.079 0.000 0.806 28 E CB -0.063 29.675 29.700 0.063 0.000 0.750 28 E HN 0.361 nan 8.360 nan 0.000 0.458 29 L N -0.194 121.059 121.223 0.050 0.000 2.046 29 L HA -0.177 4.167 4.340 0.005 0.000 0.208 29 L C 2.203 178.988 176.870 -0.142 0.000 1.077 29 L CA 1.134 55.930 54.840 -0.074 0.000 0.747 29 L CB -0.300 41.659 42.059 -0.167 0.000 0.896 29 L HN 0.111 nan 8.230 nan 0.000 0.432 30 F N -0.350 119.584 119.950 -0.026 0.000 2.206 30 F HA -0.132 4.400 4.527 0.009 0.000 0.298 30 F C 2.683 178.483 175.800 -0.001 0.000 1.090 30 F CA 0.909 58.899 58.000 -0.017 0.000 1.323 30 F CB -0.102 38.886 39.000 -0.020 0.000 1.028 30 F HN -0.005 nan 8.300 nan 0.000 0.492 31 E N 0.133 120.437 120.200 0.174 0.000 2.106 31 E HA -0.129 4.225 4.350 0.005 0.000 0.192 31 E C 2.293 178.932 176.600 0.066 0.000 0.984 31 E CA 1.046 57.507 56.400 0.103 0.000 0.806 31 E CB -0.397 29.350 29.700 0.078 0.000 0.750 31 E HN 0.324 nan 8.360 nan 0.000 0.458 32 A N 0.550 123.398 122.820 0.046 0.000 2.119 32 A HA -0.073 4.250 4.320 0.005 0.000 0.216 32 A C 0.473 178.071 177.584 0.023 0.000 1.152 32 A CA 0.774 52.828 52.037 0.029 0.000 0.708 32 A CB 0.211 19.223 19.000 0.020 0.000 0.805 32 A HN 0.055 nan 8.150 nan 0.000 0.460 33 D N -1.723 118.688 120.400 0.019 0.000 2.323 33 D HA 0.258 4.901 4.640 0.005 0.000 0.242 33 D C -2.223 174.103 176.300 0.042 0.000 1.347 33 D CA -1.420 52.590 54.000 0.017 0.000 0.988 33 D CB 1.420 42.213 40.800 -0.012 0.000 1.314 33 D HN -0.063 nan 8.370 nan 0.000 0.564 34 P HA -0.061 nan 4.420 nan 0.000 0.225 34 P C 0.533 177.900 177.300 0.111 0.000 1.148 34 P CA 0.594 63.750 63.100 0.093 0.000 0.779 34 P CB 0.551 32.293 31.700 0.071 0.000 0.780 35 E N -0.436 119.818 120.200 0.089 0.000 2.465 35 E HA 0.020 4.373 4.350 0.005 0.000 0.191 35 E C 1.907 178.577 176.600 0.117 0.000 1.053 35 E CA -0.109 56.351 56.400 0.099 0.000 0.869 35 E CB -0.237 29.502 29.700 0.064 0.000 0.977 35 E HN 0.296 nan 8.360 nan 0.000 0.483 36 R N 0.110 120.664 120.500 0.090 0.000 2.080 36 R HA -0.185 4.158 4.340 0.005 0.000 0.236 36 R C 2.122 178.508 176.300 0.144 0.000 1.137 36 R CA 1.490 57.603 56.100 0.022 0.000 0.943 36 R CB -0.401 29.636 30.300 -0.439 0.000 0.846 36 R HN 0.165 nan 8.270 nan 0.000 0.431 37 F N 1.903 121.910 119.950 0.095 0.000 2.095 37 F HA -0.238 4.293 4.527 0.006 0.000 0.298 37 F C 1.787 177.627 175.800 0.066 0.000 1.104 37 F CA 1.844 59.915 58.000 0.119 0.000 1.232 37 F CB -0.435 38.655 39.000 0.150 0.000 0.987 37 F HN 0.105 nan 8.300 nan 0.000 0.475 38 N N 0.881 119.573 118.700 -0.014 0.000 2.149 38 N HA -0.188 4.555 4.740 0.005 0.000 0.188 38 N C 1.331 176.723 175.510 -0.198 0.000 1.019 38 N CA 1.485 54.450 53.050 -0.142 0.000 0.857 38 N CB -0.658 37.849 38.487 0.032 0.000 0.997 38 N HN 0.395 nan 8.380 nan 0.000 0.426 39 N N -0.377 118.255 118.700 -0.115 0.000 2.446 39 N HA 0.010 4.753 4.740 0.005 0.000 0.179 39 N C -0.116 175.079 175.510 -0.525 0.000 1.054 39 N CA 0.409 53.310 53.050 -0.248 0.000 0.905 39 N CB 0.054 38.429 38.487 -0.187 0.000 0.973 39 N HN 0.193 nan 8.380 nan 0.000 0.448 40 F N 0.275 119.960 119.950 -0.442 0.000 2.879 40 F HA 0.320 4.851 4.527 0.006 0.000 0.354 40 F C 0.239 175.260 175.800 -1.298 0.000 1.291 40 F CA -0.666 56.804 58.000 -0.883 0.000 1.238 40 F CB 0.229 38.828 39.000 -0.670 0.000 1.005 40 F HN -0.213 nan 8.300 nan 0.000 0.508 41 S N -0.134 115.169 115.700 -0.662 0.000 2.570 41 S HA 0.842 5.315 4.470 0.005 0.000 0.270 41 S C -1.343 173.187 174.600 -0.117 0.000 1.149 41 S CA -0.823 57.129 58.200 -0.413 0.000 0.837 41 S CB 2.047 64.848 63.200 -0.665 0.000 1.124 41 S HN 0.115 nan 8.310 nan 0.000 0.465 42 L N 2.333 123.595 121.223 0.065 0.000 2.372 42 L HA 0.535 4.878 4.340 0.005 0.000 0.274 42 L C -0.654 176.284 176.870 0.113 0.000 0.988 42 L CA -0.712 54.195 54.840 0.111 0.000 0.833 42 L CB 1.793 43.967 42.059 0.193 0.000 1.236 42 L HN 0.739 nan 8.230 nan 0.000 0.410 43 N N 5.069 123.833 118.700 0.106 0.000 2.589 43 N HA 0.347 5.090 4.740 0.005 0.000 0.232 43 N C -1.038 174.568 175.510 0.160 0.000 1.015 43 N CA -0.293 52.854 53.050 0.162 0.000 0.931 43 N CB 0.632 39.227 38.487 0.180 0.000 1.150 43 N HN 0.521 nan 8.380 nan 0.000 0.512 44 L N 2.429 123.725 121.223 0.123 0.000 2.281 44 L HA 0.306 4.649 4.340 0.005 0.000 0.285 44 L C 0.585 177.360 176.870 -0.159 0.000 1.074 44 L CA -0.704 54.176 54.840 0.067 0.000 0.817 44 L CB 0.577 42.678 42.059 0.070 0.000 1.168 44 L HN 0.377 nan 8.230 nan 0.000 0.434 45 N N 1.486 120.055 118.700 -0.218 0.000 2.457 45 N HA 0.115 4.858 4.740 0.005 0.000 0.250 45 N C 0.763 176.063 175.510 -0.349 0.000 0.982 45 N CA -0.347 52.351 53.050 -0.586 0.000 0.941 45 N CB 1.380 39.571 38.487 -0.493 0.000 1.120 45 N HN 0.657 nan 8.380 nan 0.000 0.505 46 T N 0.114 114.292 114.554 -0.626 0.000 3.107 46 T HA 0.081 4.434 4.350 0.005 0.000 0.249 46 T C 0.852 175.292 174.700 -0.433 0.000 1.096 46 T CA 0.253 61.802 62.100 -0.917 0.000 1.012 46 T CB -0.415 67.850 68.868 -1.005 0.000 0.977 46 T HN 0.753 nan 8.240 nan 0.000 0.527 47 N N 0.536 119.015 118.700 -0.368 0.000 2.936 47 N HA -0.213 4.530 4.740 0.005 0.000 0.236 47 N C -0.647 174.391 175.510 -0.787 0.000 0.930 47 N CA 1.246 54.030 53.050 -0.443 0.000 0.966 47 N CB -0.917 37.354 38.487 -0.360 0.000 1.090 47 N HN 0.660 nan 8.380 nan 0.000 0.592 48 H N -0.641 118.157 119.070 -0.453 0.000 2.637 48 H HA 0.436 4.994 4.556 0.005 0.000 0.245 48 H C 0.872 176.032 175.328 -0.280 0.000 1.190 48 H CA 0.704 56.443 56.048 -0.516 0.000 0.934 48 H CB 0.726 29.771 29.762 -1.195 0.000 1.950 48 H HN 0.494 nan 8.280 nan 0.000 0.614 49 G N 0.509 109.252 108.800 -0.094 0.000 2.428 49 G HA2 -0.096 3.867 3.960 0.005 0.000 0.681 49 G HA3 -0.096 3.867 3.960 0.005 0.000 0.681 49 G C -1.391 173.517 174.900 0.014 0.000 1.340 49 G CA -1.027 44.103 45.100 0.051 0.000 0.915 49 G HN 0.371 nan 8.290 nan 0.000 0.645 50 H N -0.581 118.488 119.070 -0.001 0.000 2.479 50 H HA 0.624 5.183 4.556 0.005 0.000 0.335 50 H C -0.142 175.227 175.328 0.069 0.000 1.142 50 H CA -0.307 55.745 56.048 0.005 0.000 1.234 50 H CB 1.967 31.748 29.762 0.031 0.000 1.503 50 H HN 0.370 nan 8.280 nan 0.000 0.510 51 I N 3.793 124.446 120.570 0.138 0.000 2.410 51 I HA 0.044 4.217 4.170 0.005 0.000 0.286 51 I C -0.781 175.453 176.117 0.195 0.000 1.009 51 I CA -0.702 60.711 61.300 0.189 0.000 1.111 51 I CB 1.737 39.795 38.000 0.097 0.000 1.262 51 I HN 0.144 nan 8.210 nan 0.000 0.443 52 L N 8.829 130.194 121.223 0.237 0.000 2.257 52 L HA 0.453 4.796 4.340 0.005 0.000 0.290 52 L C -0.571 176.449 176.870 0.249 0.000 1.044 52 L CA -0.187 54.790 54.840 0.229 0.000 0.810 52 L CB 1.275 43.478 42.059 0.240 0.000 1.193 52 L HN 0.318 nan 8.230 nan 0.000 0.425 53 V N 4.904 124.954 119.914 0.228 0.000 2.288 53 V HA 0.276 4.399 4.120 0.005 0.000 0.266 53 V C -0.368 175.902 176.094 0.293 0.000 1.048 53 V CA -0.568 61.891 62.300 0.264 0.000 0.842 53 V CB 0.810 32.773 31.823 0.233 0.000 1.064 53 V HN 0.711 nan 8.190 nan 0.000 0.472 54 D N 4.315 124.893 120.400 0.297 0.000 2.412 54 D HA 0.211 4.854 4.640 0.005 0.000 0.224 54 D C 0.214 176.686 176.300 0.287 0.000 1.093 54 D CA -0.518 53.629 54.000 0.245 0.000 0.850 54 D CB 0.899 41.911 40.800 0.353 0.000 1.046 54 D HN 0.633 nan 8.370 nan 0.000 0.507 55 Y N 1.460 121.883 120.300 0.205 0.000 2.658 55 Y HA 0.232 4.784 4.550 0.005 0.000 0.276 55 Y C 1.545 177.582 175.900 0.229 0.000 1.167 55 Y CA -0.231 58.000 58.100 0.219 0.000 1.230 55 Y CB -0.330 38.252 38.460 0.202 0.000 1.144 55 Y HN 0.212 nan 8.280 nan 0.000 0.529 56 S N 0.310 116.047 115.700 0.062 0.000 2.453 56 S HA -0.057 4.416 4.470 0.005 0.000 0.231 56 S C 1.105 175.820 174.600 0.192 0.000 1.005 56 S CA 0.341 58.559 58.200 0.029 0.000 0.949 56 S CB -0.297 62.999 63.200 0.160 0.000 0.774 56 S HN 0.512 nan 8.310 nan 0.000 0.510 57 K N 1.700 122.283 120.400 0.305 0.000 2.745 57 K HA 0.258 4.581 4.320 0.005 0.000 0.223 57 K C -0.698 176.041 176.600 0.231 0.000 1.057 57 K CA -0.129 56.338 56.287 0.300 0.000 1.217 57 K CB -0.333 32.245 32.500 0.130 0.000 0.993 57 K HN 0.450 nan 8.250 nan 0.000 0.478 58 N N 0.348 119.189 118.700 0.235 0.000 2.472 58 N HA 0.250 4.993 4.740 0.005 0.000 0.289 58 N C -0.535 175.137 175.510 0.270 0.000 1.156 58 N CA -0.599 52.647 53.050 0.327 0.000 0.940 58 N CB 1.320 40.060 38.487 0.421 0.000 1.200 58 N HN -0.015 nan 8.380 nan 0.000 0.511 59 L N 2.172 123.652 121.223 0.429 0.000 2.416 59 L HA 0.207 4.550 4.340 0.005 0.000 0.243 59 L C -0.661 176.478 176.870 0.449 0.000 1.373 59 L CA -0.361 54.738 54.840 0.432 0.000 1.227 59 L CB -1.019 41.352 42.059 0.520 0.000 1.428 59 L HN 0.294 nan 8.230 nan 0.000 0.425 60 V N -1.891 118.109 119.914 0.143 0.000 2.925 60 V HA 0.807 4.930 4.120 0.005 0.000 0.311 60 V C -0.055 175.977 176.094 -0.104 0.000 1.104 60 V CA -0.623 61.647 62.300 -0.050 0.000 0.954 60 V CB 1.845 33.601 31.823 -0.111 0.000 1.022 60 V HN 0.309 nan 8.190 nan 0.000 0.427 61 S N 2.166 117.816 115.700 -0.082 0.000 2.747 61 S HA 0.496 4.969 4.470 0.005 0.000 0.300 61 S C 0.877 175.552 174.600 0.127 0.000 1.121 61 S CA -0.128 58.076 58.200 0.007 0.000 0.995 61 S CB 1.786 65.004 63.200 0.031 0.000 1.113 61 S HN 1.061 nan 8.310 nan 0.000 0.547 62 K N 0.403 120.940 120.400 0.230 0.000 2.044 62 K HA -0.244 4.079 4.320 0.005 0.000 0.210 62 K C 1.949 178.496 176.600 -0.088 0.000 1.049 62 K CA 2.168 58.502 56.287 0.078 0.000 0.927 62 K CB -0.411 32.112 32.500 0.040 0.000 0.713 62 K HN 0.741 nan 8.250 nan 0.000 0.443 63 E N 0.276 120.394 120.200 -0.137 0.000 2.106 63 E HA -0.127 4.226 4.350 0.005 0.000 0.192 63 E C 1.759 178.077 176.600 -0.470 0.000 0.984 63 E CA 1.318 57.562 56.400 -0.260 0.000 0.806 63 E CB -0.034 29.535 29.700 -0.218 0.000 0.750 63 E HN 0.177 nan 8.360 nan 0.000 0.458 64 V N 0.605 120.148 119.914 -0.618 0.000 2.295 64 V HA -0.271 3.852 4.120 0.005 0.000 0.246 64 V C 2.371 178.135 176.094 -0.550 0.000 1.049 64 V CA 1.842 63.652 62.300 -0.817 0.000 1.024 64 V CB -0.517 30.698 31.823 -1.014 0.000 0.648 64 V HN 0.371 nan 8.190 nan 0.000 0.447 65 M N -0.530 118.868 119.600 -0.337 0.000 2.159 65 M HA -0.186 4.297 4.480 0.005 0.000 0.263 65 M C 2.222 178.391 176.300 -0.218 0.000 1.063 65 M CA 1.592 56.754 55.300 -0.229 0.000 1.110 65 M CB -1.287 31.252 32.600 -0.102 0.000 1.374 65 M HN 0.427 nan 8.290 nan 0.000 0.411 66 Q N -0.542 119.130 119.800 -0.214 0.000 2.050 66 Q HA -0.114 4.229 4.340 0.005 0.000 0.202 66 Q C 2.160 178.053 176.000 -0.179 0.000 0.980 66 Q CA 1.458 57.155 55.803 -0.177 0.000 0.840 66 Q CB -0.161 28.482 28.738 -0.158 0.000 0.898 66 Q HN 0.489 nan 8.270 nan 0.000 0.424 67 M N 0.037 119.495 119.600 -0.237 0.000 2.159 67 M HA -0.179 4.304 4.480 0.005 0.000 0.263 67 M C 2.073 178.279 176.300 -0.156 0.000 1.063 67 M CA 1.287 56.465 55.300 -0.202 0.000 1.110 67 M CB -0.181 32.253 32.600 -0.277 0.000 1.374 67 M HN 0.242 nan 8.290 nan 0.000 0.411 68 L N -0.828 120.276 121.223 -0.198 0.000 2.056 68 L HA -0.173 4.170 4.340 0.005 0.000 0.207 68 L C 2.397 179.202 176.870 -0.107 0.000 1.078 68 L CA 0.826 55.582 54.840 -0.141 0.000 0.749 68 L CB -0.569 41.376 42.059 -0.191 0.000 0.901 68 L HN 0.098 nan 8.230 nan 0.000 0.433 69 V N -0.228 119.611 119.914 -0.124 0.000 2.343 69 V HA -0.273 3.850 4.120 0.005 0.000 0.247 69 V C 2.357 178.401 176.094 -0.083 0.000 1.051 69 V CA 1.738 63.976 62.300 -0.103 0.000 1.036 69 V CB -0.458 31.298 31.823 -0.112 0.000 0.654 69 V HN 0.453 nan 8.190 nan 0.000 0.451 70 E N -0.299 119.852 120.200 -0.082 0.000 2.110 70 E HA -0.255 4.098 4.350 0.005 0.000 0.193 70 E C 2.129 178.705 176.600 -0.040 0.000 0.988 70 E CA 1.371 57.734 56.400 -0.061 0.000 0.804 70 E CB -0.211 29.453 29.700 -0.060 0.000 0.745 70 E HN 0.430 nan 8.360 nan 0.000 0.458 71 L N 0.949 122.153 121.223 -0.031 0.000 2.046 71 L HA -0.121 4.222 4.340 0.005 0.000 0.208 71 L C 2.207 179.060 176.870 -0.028 0.000 1.077 71 L CA 1.984 56.823 54.840 -0.001 0.000 0.747 71 L CB -0.630 41.455 42.059 0.045 0.000 0.896 71 L HN 0.022 nan 8.230 nan 0.000 0.432 72 A N -0.482 122.308 122.820 -0.050 0.000 1.883 72 A HA -0.265 4.058 4.320 0.005 0.000 0.217 72 A C 2.338 179.888 177.584 -0.057 0.000 1.186 72 A CA 2.169 54.168 52.037 -0.064 0.000 0.624 72 A CB -0.549 18.412 19.000 -0.066 0.000 0.822 72 A HN 0.528 nan 8.150 nan 0.000 0.444 73 K N 0.156 120.524 120.400 -0.054 0.000 2.026 73 K HA -0.121 4.202 4.320 0.005 0.000 0.208 73 K C 2.273 178.848 176.600 -0.042 0.000 1.048 73 K CA 1.698 57.953 56.287 -0.052 0.000 0.929 73 K CB -0.253 32.214 32.500 -0.055 0.000 0.713 73 K HN 0.642 nan 8.250 nan 0.000 0.439 74 S N 0.465 116.146 115.700 -0.032 0.000 2.561 74 S HA 0.034 4.507 4.470 0.005 0.000 0.225 74 S C 1.537 176.124 174.600 -0.021 0.000 0.977 74 S CA 0.344 58.532 58.200 -0.021 0.000 0.926 74 S CB 0.089 63.285 63.200 -0.007 0.000 0.769 74 S HN 0.117 nan 8.310 nan 0.000 0.533 75 R N 0.708 121.188 120.500 -0.033 0.000 2.334 75 R HA 0.274 4.618 4.340 0.005 0.000 0.216 75 R C 1.423 177.697 176.300 -0.044 0.000 0.905 75 R CA 0.541 56.615 56.100 -0.043 0.000 1.064 75 R CB -0.520 29.739 30.300 -0.068 0.000 1.046 75 R HN 0.626 nan 8.270 nan 0.000 0.508 76 G N 0.746 109.523 108.800 -0.039 0.000 2.149 76 G HA2 -0.251 3.712 3.960 0.005 0.000 0.235 76 G HA3 -0.251 3.712 3.960 0.005 0.000 0.235 76 G C 0.863 175.745 174.900 -0.029 0.000 1.018 76 G CA 0.335 45.416 45.100 -0.031 0.000 0.728 76 G HN 0.170 nan 8.290 nan 0.000 0.508 77 V N 0.067 119.955 119.914 -0.042 0.000 2.332 77 V HA -0.202 3.921 4.120 0.005 0.000 0.248 77 V C 2.666 178.760 176.094 -0.001 0.000 1.055 77 V CA 2.847 65.131 62.300 -0.026 0.000 1.038 77 V CB -0.382 31.423 31.823 -0.029 0.000 0.651 77 V HN 0.673 nan 8.190 nan 0.000 0.450 78 E N 0.283 120.451 120.200 -0.053 0.000 2.077 78 E HA -0.201 4.152 4.350 0.005 0.000 0.193 78 E C 2.341 178.892 176.600 -0.081 0.000 0.989 78 E CA 1.357 57.693 56.400 -0.106 0.000 0.800 78 E CB -0.335 29.291 29.700 -0.124 0.000 0.746 78 E HN 0.607 nan 8.360 nan 0.000 0.452 79 A N 1.689 124.485 122.820 -0.041 0.000 1.898 79 A HA -0.076 4.247 4.320 0.005 0.000 0.216 79 A C 2.431 180.038 177.584 0.038 0.000 1.181 79 A CA 1.657 53.682 52.037 -0.019 0.000 0.620 79 A CB -0.612 18.380 19.000 -0.014 0.000 0.819 79 A HN 0.282 nan 8.150 nan 0.000 0.442 80 A N -0.223 122.653 122.820 0.093 0.000 1.902 80 A HA -0.183 4.140 4.320 0.005 0.000 0.217 80 A C 2.269 180.096 177.584 0.406 0.000 1.181 80 A CA 1.765 53.940 52.037 0.230 0.000 0.623 80 A CB -0.554 18.558 19.000 0.186 0.000 0.818 80 A HN 0.565 nan 8.150 nan 0.000 0.443 81 R N -0.217 120.497 120.500 0.357 0.000 2.080 81 R HA -0.204 4.139 4.340 0.005 0.000 0.236 81 R C 1.432 177.757 176.300 0.042 0.000 1.137 81 R CA 2.127 58.357 56.100 0.217 0.000 0.943 81 R CB -0.517 29.669 30.300 -0.190 0.000 0.846 81 R HN 0.438 nan 8.270 nan 0.000 0.431 82 D N 0.128 120.487 120.400 -0.069 0.000 2.149 82 D HA -0.140 4.503 4.640 0.005 0.000 0.198 82 D C 1.552 177.852 176.300 0.001 0.000 0.990 82 D CA 1.411 55.355 54.000 -0.093 0.000 0.839 82 D CB -0.518 40.206 40.800 -0.125 0.000 0.948 82 D HN 0.474 nan 8.370 nan 0.000 0.460 83 N N -0.053 118.670 118.700 0.038 0.000 2.166 83 N HA -0.118 4.625 4.740 0.005 0.000 0.186 83 N C 1.881 177.398 175.510 0.013 0.000 1.019 83 N CA 0.600 53.672 53.050 0.038 0.000 0.856 83 N CB -0.088 38.445 38.487 0.077 0.000 0.993 83 N HN 0.129 nan 8.380 nan 0.000 0.426 84 M N 0.181 119.797 119.600 0.028 0.000 2.086 84 M HA -0.138 4.345 4.480 0.005 0.000 0.261 84 M C 1.169 177.334 176.300 -0.224 0.000 1.067 84 M CA 1.697 56.907 55.300 -0.151 0.000 1.116 84 M CB -0.051 32.344 32.600 -0.342 0.000 1.348 84 M HN 0.036 nan 8.290 nan 0.000 0.407 85 F N 0.266 120.055 119.950 -0.269 0.000 2.365 85 F HA -0.102 4.428 4.527 0.005 0.000 0.300 85 F C 2.674 178.336 175.800 -0.231 0.000 1.090 85 F CA 1.478 59.321 58.000 -0.263 0.000 1.408 85 F CB -0.394 38.456 39.000 -0.249 0.000 1.060 85 F HN 0.376 nan 8.300 nan 0.000 0.534 86 S N -1.252 114.427 115.700 -0.035 0.000 2.575 86 S HA 0.363 4.836 4.470 0.005 0.000 0.215 86 S C 1.663 176.177 174.600 -0.144 0.000 0.966 86 S CA 0.366 58.517 58.200 -0.082 0.000 0.911 86 S CB 0.108 63.274 63.200 -0.057 0.000 0.780 86 S HN 0.500 nan 8.310 nan 0.000 0.514 87 G N 0.897 109.580 108.800 -0.195 0.000 2.141 87 G HA2 -0.234 3.729 3.960 0.005 0.000 0.242 87 G HA3 -0.234 3.729 3.960 0.005 0.000 0.242 87 G C 0.070 174.879 174.900 -0.152 0.000 0.982 87 G CA 0.010 44.964 45.100 -0.244 0.000 0.662 87 G HN 0.642 nan 8.290 nan 0.000 0.527 88 S N 0.094 115.738 115.700 -0.092 0.000 2.568 88 S HA 0.274 4.747 4.470 0.005 0.000 0.282 88 S C 0.864 175.456 174.600 -0.013 0.000 1.338 88 S CA 0.092 58.272 58.200 -0.032 0.000 1.045 88 S CB 0.890 64.092 63.200 0.003 0.000 0.873 88 S HN 0.395 nan 8.310 nan 0.000 0.516 89 K N 2.319 122.738 120.400 0.032 0.000 2.480 89 K HA 0.120 4.443 4.320 0.005 0.000 0.241 89 K C 1.060 177.737 176.600 0.128 0.000 1.261 89 K CA -0.029 56.298 56.287 0.068 0.000 1.193 89 K CB -0.653 31.897 32.500 0.084 0.000 1.598 89 K HN 0.616 nan 8.250 nan 0.000 0.278 90 I N -2.352 118.289 120.570 0.119 0.000 3.001 90 I HA -0.077 4.096 4.170 0.005 0.000 0.268 90 I C 0.743 177.031 176.117 0.285 0.000 1.267 90 I CA 0.363 61.803 61.300 0.233 0.000 1.472 90 I CB -0.141 38.003 38.000 0.241 0.000 1.089 90 I HN 0.090 nan 8.210 nan 0.000 0.468 91 N N 1.798 120.599 118.700 0.168 0.000 2.739 91 N HA -0.040 4.703 4.740 0.005 0.000 0.266 91 N C 0.634 176.211 175.510 0.112 0.000 1.168 91 N CA -0.298 52.828 53.050 0.127 0.000 1.055 91 N CB -0.100 38.467 38.487 0.133 0.000 1.393 91 N HN 0.540 nan 8.380 nan 0.000 0.514 92 Y N 0.454 120.881 120.300 0.212 0.000 2.395 92 Y HA 0.029 4.582 4.550 0.005 0.000 0.293 92 Y C 2.112 178.124 175.900 0.187 0.000 1.123 92 Y CA 1.002 59.205 58.100 0.171 0.000 1.227 92 Y CB -1.023 37.522 38.460 0.142 0.000 1.012 92 Y HN 0.312 nan 8.280 nan 0.000 0.552 93 T N -2.125 112.537 114.554 0.180 0.000 3.023 93 T HA -0.027 4.326 4.350 0.005 0.000 0.266 93 T C 1.193 176.116 174.700 0.372 0.000 1.093 93 T CA 1.261 63.557 62.100 0.327 0.000 1.129 93 T CB -0.235 68.913 68.868 0.466 0.000 0.899 93 T HN 0.575 nan 8.240 nan 0.000 0.491 94 E N 0.577 120.948 120.200 0.285 0.000 2.498 94 E HA 0.133 4.486 4.350 0.005 0.000 0.203 94 E C -0.187 176.527 176.600 0.190 0.000 1.013 94 E CA -0.013 56.540 56.400 0.255 0.000 0.927 94 E CB 0.233 30.030 29.700 0.160 0.000 1.012 94 E HN 0.405 nan 8.360 nan 0.000 0.482 95 D N 1.656 122.167 120.400 0.186 0.000 2.737 95 D HA -0.187 4.456 4.640 0.005 0.000 0.238 95 D C -0.917 175.468 176.300 0.142 0.000 1.157 95 D CA 0.793 54.889 54.000 0.161 0.000 0.694 95 D CB -0.637 40.249 40.800 0.142 0.000 1.021 95 D HN 0.100 nan 8.370 nan 0.000 0.420 96 R N -0.120 120.465 120.500 0.141 0.000 2.744 96 R HA 0.824 5.167 4.340 0.005 0.000 0.279 96 R C 0.067 176.436 176.300 0.114 0.000 0.977 96 R CA -0.487 55.701 56.100 0.146 0.000 0.906 96 R CB 1.649 32.041 30.300 0.153 0.000 1.197 96 R HN 0.169 nan 8.270 nan 0.000 0.463 97 A N 1.368 124.260 122.820 0.119 0.000 2.327 97 A HA 0.398 4.721 4.320 0.005 0.000 0.255 97 A C -0.317 177.268 177.584 0.003 0.000 1.099 97 A CA -0.224 51.818 52.037 0.008 0.000 0.801 97 A CB 0.605 19.535 19.000 -0.117 0.000 1.062 97 A HN 0.377 nan 8.150 nan 0.000 0.496 98 V N 1.554 121.352 119.914 -0.195 0.000 2.385 98 V HA 0.300 4.423 4.120 0.005 0.000 0.277 98 V C -0.273 175.552 176.094 -0.449 0.000 1.012 98 V CA 0.134 62.223 62.300 -0.352 0.000 0.832 98 V CB 0.506 31.830 31.823 -0.832 0.000 1.028 98 V HN 0.706 nan 8.190 nan 0.000 0.436 99 L N 4.748 125.850 121.223 -0.202 0.000 3.193 99 L HA 0.298 4.641 4.340 0.005 0.000 0.305 99 L C 1.841 178.665 176.870 -0.077 0.000 1.299 99 L CA -0.265 54.359 54.840 -0.360 0.000 0.904 99 L CB 0.159 41.769 42.059 -0.748 0.000 1.331 99 L HN 0.802 nan 8.230 nan 0.000 0.588 100 H N -0.583 118.492 119.070 0.008 0.000 2.457 100 H HA -0.109 4.450 4.556 0.005 0.000 0.297 100 H C 1.923 177.175 175.328 -0.127 0.000 1.092 100 H CA 1.676 57.767 56.048 0.073 0.000 1.309 100 H CB -0.649 29.191 29.762 0.130 0.000 1.382 100 H HN 0.428 nan 8.280 nan 0.000 0.535 101 V N -0.283 119.335 119.914 -0.495 0.000 2.490 101 V HA -0.060 4.063 4.120 0.005 0.000 0.250 101 V C 2.850 178.783 176.094 -0.268 0.000 1.061 101 V CA 1.374 63.407 62.300 -0.445 0.000 1.064 101 V CB -1.230 30.091 31.823 -0.836 0.000 0.670 101 V HN 0.494 nan 8.190 nan 0.000 0.461 102 A N 0.835 123.496 122.820 -0.264 0.000 1.969 102 A HA 0.029 4.352 4.320 0.005 0.000 0.218 102 A C 2.204 179.777 177.584 -0.017 0.000 1.169 102 A CA 1.863 53.785 52.037 -0.190 0.000 0.635 102 A CB -0.632 18.143 19.000 -0.375 0.000 0.810 102 A HN 0.589 nan 8.150 nan 0.000 0.445 103 L N -0.298 120.998 121.223 0.121 0.000 2.131 103 L HA -0.154 4.189 4.340 0.005 0.000 0.210 103 L C 2.335 179.285 176.870 0.133 0.000 1.092 103 L CA 1.556 56.544 54.840 0.246 0.000 0.759 103 L CB -0.371 41.925 42.059 0.395 0.000 0.903 103 L HN 0.546 nan 8.230 nan 0.000 0.435 104 R N -0.581 119.921 120.500 0.003 0.000 2.586 104 R HA 0.095 4.438 4.340 0.005 0.000 0.336 104 R C 0.145 176.367 176.300 -0.130 0.000 1.060 104 R CA -0.209 55.851 56.100 -0.067 0.000 1.079 104 R CB -0.728 29.470 30.300 -0.171 0.000 1.317 104 R HN 0.039 nan 8.270 nan 0.000 0.568 105 N N 2.332 120.954 118.700 -0.130 0.000 2.605 105 N HA 0.002 4.745 4.740 0.005 0.000 0.282 105 N C 0.544 175.820 175.510 -0.390 0.000 1.206 105 N CA -0.155 52.749 53.050 -0.242 0.000 1.074 105 N CB 0.491 38.916 38.487 -0.103 0.000 1.434 105 N HN 0.069 nan 8.380 nan 0.000 0.506 106 R N 0.532 120.580 120.500 -0.753 0.000 2.189 106 R HA -0.075 4.268 4.340 0.005 0.000 0.223 106 R C 1.768 177.914 176.300 -0.257 0.000 1.092 106 R CA 0.978 56.830 56.100 -0.415 0.000 0.989 106 R CB -1.010 29.103 30.300 -0.313 0.000 0.876 106 R HN 0.645 nan 8.270 nan 0.000 0.457 107 S N 0.835 116.359 115.700 -0.293 0.000 2.453 107 S HA -0.092 4.381 4.470 0.005 0.000 0.231 107 S C 0.696 175.276 174.600 -0.032 0.000 1.005 107 S CA 0.435 58.611 58.200 -0.039 0.000 0.949 107 S CB -0.167 63.093 63.200 0.101 0.000 0.774 107 S HN 0.272 nan 8.310 nan 0.000 0.510 108 N N 0.851 119.512 118.700 -0.065 0.000 2.753 108 N HA -0.143 4.600 4.740 0.005 0.000 0.251 108 N C -0.085 175.408 175.510 -0.029 0.000 1.097 108 N CA 1.393 54.420 53.050 -0.040 0.000 0.786 108 N CB -2.359 36.117 38.487 -0.018 0.000 1.137 108 N HN 0.660 nan 8.380 nan 0.000 0.566 109 T N 1.786 116.328 114.554 -0.020 0.000 2.867 109 T HA 0.200 4.553 4.350 0.005 0.000 0.297 109 T C -2.343 172.331 174.700 -0.043 0.000 0.989 109 T CA -0.780 61.308 62.100 -0.020 0.000 1.159 109 T CB 0.597 69.462 68.868 -0.004 0.000 0.928 109 T HN -0.041 nan 8.240 nan 0.000 0.538 110 P HA 0.185 nan 4.420 nan 0.000 0.262 110 P C -0.764 176.479 177.300 -0.094 0.000 1.182 110 P CA 0.334 63.392 63.100 -0.070 0.000 0.761 110 P CB 0.170 31.835 31.700 -0.058 0.000 0.795 111 I N 3.537 124.024 120.570 -0.139 0.000 2.439 111 I HA 0.302 4.475 4.170 0.005 0.000 0.285 111 I C 0.282 176.265 176.117 -0.223 0.000 1.021 111 I CA -0.701 60.485 61.300 -0.190 0.000 1.091 111 I CB 1.735 39.580 38.000 -0.258 0.000 1.242 111 I HN 0.072 nan 8.210 nan 0.000 0.439 112 K N 5.206 125.493 120.400 -0.189 0.000 2.159 112 K HA 0.681 5.004 4.320 0.005 0.000 0.266 112 K C -1.059 175.422 176.600 -0.199 0.000 0.975 112 K CA -0.690 55.496 56.287 -0.168 0.000 0.865 112 K CB 2.548 34.984 32.500 -0.107 0.000 1.087 112 K HN 0.262 nan 8.250 nan 0.000 0.446 113 V N 3.647 123.448 119.914 -0.189 0.000 2.409 113 V HA 0.099 4.222 4.120 0.005 0.000 0.291 113 V C -0.546 175.516 176.094 -0.053 0.000 1.020 113 V CA -0.710 61.503 62.300 -0.145 0.000 0.848 113 V CB 1.346 33.060 31.823 -0.182 0.000 0.990 113 V HN 0.886 nan 8.190 nan 0.000 0.430 114 D N 4.405 124.786 120.400 -0.031 0.000 2.689 114 D HA -0.193 4.450 4.640 0.005 0.000 0.237 114 D C 1.328 177.620 176.300 -0.014 0.000 1.148 114 D CA 1.487 55.484 54.000 -0.006 0.000 0.656 114 D CB -1.037 39.776 40.800 0.022 0.000 1.050 114 D HN 1.401 nan 8.370 nan 0.000 0.426 115 G N -0.490 108.291 108.800 -0.031 0.000 2.189 115 G HA2 -0.377 3.586 3.960 0.005 0.000 0.267 115 G HA3 -0.377 3.586 3.960 0.005 0.000 0.267 115 G C 0.332 175.212 174.900 -0.034 0.000 0.975 115 G CA 0.880 45.962 45.100 -0.030 0.000 0.644 115 G HN 0.475 nan 8.290 nan 0.000 0.537 116 K N 0.725 121.102 120.400 -0.039 0.000 2.274 116 K HA 0.301 4.624 4.320 0.005 0.000 0.262 116 K C -0.892 175.665 176.600 -0.072 0.000 0.961 116 K CA -0.845 55.419 56.287 -0.038 0.000 0.833 116 K CB 1.230 33.722 32.500 -0.013 0.000 1.102 116 K HN 0.131 nan 8.250 nan 0.000 0.436 117 D N 2.580 122.938 120.400 -0.071 0.000 2.434 117 D HA -0.051 4.592 4.640 0.005 0.000 0.252 117 D C 1.105 177.337 176.300 -0.114 0.000 1.185 117 D CA -0.003 53.938 54.000 -0.097 0.000 0.886 117 D CB 1.108 41.867 40.800 -0.069 0.000 1.148 117 D HN 0.300 nan 8.370 nan 0.000 0.483 118 V N 2.224 122.025 119.914 -0.187 0.000 3.306 118 V HA -0.082 4.041 4.120 0.005 0.000 0.264 118 V C 1.956 177.938 176.094 -0.188 0.000 1.149 118 V CA 0.278 62.444 62.300 -0.225 0.000 1.143 118 V CB -0.373 31.205 31.823 -0.408 0.000 0.767 118 V HN 0.418 nan 8.190 nan 0.000 0.476 119 M N 0.859 120.378 119.600 -0.136 0.000 2.117 119 M HA 0.050 4.533 4.480 0.005 0.000 0.262 119 M C 0.213 176.502 176.300 -0.019 0.000 1.065 119 M CA 1.410 56.664 55.300 -0.077 0.000 1.114 119 M CB -2.572 29.990 32.600 -0.064 0.000 1.361 119 M HN 0.329 nan 8.290 nan 0.000 0.408 120 P HA -0.152 nan 4.420 nan 0.000 0.216 120 P C 1.478 178.822 177.300 0.073 0.000 1.153 120 P CA 1.195 64.314 63.100 0.033 0.000 0.858 120 P CB -0.063 31.651 31.700 0.024 0.000 0.789 121 E N -0.707 119.527 120.200 0.055 0.000 2.107 121 E HA -0.068 4.285 4.350 0.005 0.000 0.191 121 E C 2.125 178.890 176.600 0.274 0.000 0.982 121 E CA 0.701 57.203 56.400 0.170 0.000 0.809 121 E CB -0.884 28.911 29.700 0.157 0.000 0.756 121 E HN 0.058 nan 8.360 nan 0.000 0.459 122 V N 2.571 122.520 119.914 0.058 0.000 2.287 122 V HA -0.269 3.854 4.120 0.005 0.000 0.248 122 V C 1.941 178.224 176.094 0.316 0.000 1.053 122 V CA 1.792 64.232 62.300 0.234 0.000 1.027 122 V CB -0.472 31.417 31.823 0.109 0.000 0.646 122 V HN 0.229 nan 8.190 nan 0.000 0.447 123 N N -0.290 118.532 118.700 0.203 0.000 2.270 123 N HA -0.130 4.613 4.740 0.005 0.000 0.181 123 N C 1.941 177.574 175.510 0.204 0.000 1.016 123 N CA 1.056 54.224 53.050 0.196 0.000 0.870 123 N CB -0.421 38.143 38.487 0.129 0.000 0.979 123 N HN 0.463 nan 8.380 nan 0.000 0.431 124 R N 1.013 121.635 120.500 0.202 0.000 2.073 124 R HA -0.057 4.286 4.340 0.005 0.000 0.234 124 R C 1.754 178.179 176.300 0.209 0.000 1.134 124 R CA 1.177 57.386 56.100 0.181 0.000 0.952 124 R CB -0.136 30.268 30.300 0.172 0.000 0.850 124 R HN -0.036 nan 8.270 nan 0.000 0.433 125 V N 1.455 121.548 119.914 0.299 0.000 2.427 125 V HA -0.221 3.902 4.120 0.005 0.000 0.248 125 V C 2.408 178.694 176.094 0.321 0.000 1.051 125 V CA 1.498 63.979 62.300 0.302 0.000 1.048 125 V CB -0.401 31.632 31.823 0.350 0.000 0.666 125 V HN 0.326 nan 8.190 nan 0.000 0.456 126 L N -0.165 121.274 121.223 0.360 0.000 2.042 126 L HA -0.204 4.139 4.340 0.005 0.000 0.210 126 L C 2.394 179.388 176.870 0.207 0.000 1.076 126 L CA 1.616 56.712 54.840 0.428 0.000 0.749 126 L CB -0.725 41.646 42.059 0.520 0.000 0.893 126 L HN 0.329 nan 8.230 nan 0.000 0.432 127 D N -0.078 120.405 120.400 0.139 0.000 2.117 127 D HA -0.202 4.441 4.640 0.005 0.000 0.197 127 D C 2.114 178.414 176.300 0.000 0.000 0.987 127 D CA 1.114 55.123 54.000 0.014 0.000 0.829 127 D CB -0.034 40.802 40.800 0.061 0.000 0.961 127 D HN 0.222 nan 8.370 nan 0.000 0.460 128 K N 0.058 120.518 120.400 0.100 0.000 2.057 128 K HA -0.089 4.234 4.320 0.005 0.000 0.207 128 K C 2.166 178.942 176.600 0.292 0.000 1.049 128 K CA 0.842 57.223 56.287 0.156 0.000 0.931 128 K CB -0.030 32.536 32.500 0.110 0.000 0.714 128 K HN 0.062 nan 8.250 nan 0.000 0.440 129 M N 0.677 120.434 119.600 0.261 0.000 2.117 129 M HA -0.185 4.298 4.480 0.005 0.000 0.262 129 M C 2.335 178.601 176.300 -0.057 0.000 1.065 129 M CA 1.670 57.063 55.300 0.155 0.000 1.114 129 M CB -0.225 32.475 32.600 0.168 0.000 1.361 129 M HN 0.083 nan 8.290 nan 0.000 0.408 130 K N -0.251 119.827 120.400 -0.537 0.000 2.063 130 K HA -0.187 4.136 4.320 0.005 0.000 0.208 130 K C 2.222 178.676 176.600 -0.243 0.000 1.048 130 K CA 1.837 57.610 56.287 -0.856 0.000 0.928 130 K CB -0.179 31.556 32.500 -1.276 0.000 0.713 130 K HN 0.192 nan 8.250 nan 0.000 0.442 131 S N -0.182 115.468 115.700 -0.084 0.000 2.368 131 S HA -0.164 4.309 4.470 0.005 0.000 0.225 131 S C 1.766 176.445 174.600 0.131 0.000 1.030 131 S CA 1.069 59.292 58.200 0.039 0.000 0.999 131 S CB -0.456 62.793 63.200 0.082 0.000 0.844 131 S HN 0.455 nan 8.310 nan 0.000 0.459 132 F N 1.648 121.636 119.950 0.064 0.000 2.134 132 F HA -0.074 4.456 4.527 0.005 0.000 0.299 132 F C 2.474 178.255 175.800 -0.032 0.000 1.097 132 F CA 1.345 59.394 58.000 0.080 0.000 1.264 132 F CB -0.825 38.276 39.000 0.168 0.000 1.001 132 F HN 0.311 nan 8.300 nan 0.000 0.479 133 C N 0.369 119.676 119.300 0.012 0.000 2.429 133 C HA -0.183 4.280 4.460 0.005 0.000 0.277 133 C C 2.815 177.746 174.990 -0.099 0.000 1.262 133 C CA 1.257 60.230 59.018 -0.075 0.000 1.733 133 C CB -1.115 26.653 27.740 0.047 0.000 2.010 133 C HN 0.567 nan 8.230 nan 0.000 0.483 134 Q N 1.097 120.866 119.800 -0.051 0.000 2.061 134 Q HA -0.172 4.171 4.340 0.005 0.000 0.204 134 Q C 2.473 178.445 176.000 -0.045 0.000 0.984 134 Q CA 1.626 57.411 55.803 -0.031 0.000 0.846 134 Q CB -0.396 28.337 28.738 -0.007 0.000 0.902 134 Q HN 0.586 nan 8.270 nan 0.000 0.421 135 R N -0.329 120.141 120.500 -0.050 0.000 2.081 135 R HA -0.095 4.248 4.340 0.005 0.000 0.235 135 R C 2.401 178.670 176.300 -0.052 0.000 1.131 135 R CA 1.418 57.521 56.100 0.004 0.000 0.960 135 R CB -0.534 29.847 30.300 0.136 0.000 0.856 135 R HN 0.203 nan 8.270 nan 0.000 0.436 136 V N 0.667 120.406 119.914 -0.292 0.000 2.283 136 V HA -0.176 3.947 4.120 0.005 0.000 0.243 136 V C 2.370 178.365 176.094 -0.165 0.000 1.039 136 V CA 1.561 63.654 62.300 -0.345 0.000 1.016 136 V CB -0.426 30.972 31.823 -0.708 0.000 0.650 136 V HN 0.283 nan 8.190 nan 0.000 0.449 137 R N 0.982 121.400 120.500 -0.137 0.000 2.115 137 R HA -0.113 4.230 4.340 0.005 0.000 0.230 137 R C 2.497 178.777 176.300 -0.033 0.000 1.111 137 R CA 1.559 57.618 56.100 -0.067 0.000 0.976 137 R CB -0.471 29.803 30.300 -0.044 0.000 0.870 137 R HN 0.681 nan 8.270 nan 0.000 0.445 138 S N -0.908 114.777 115.700 -0.025 0.000 2.453 138 S HA 0.032 4.505 4.470 0.005 0.000 0.231 138 S C 1.578 176.181 174.600 0.005 0.000 1.005 138 S CA 0.743 58.940 58.200 -0.005 0.000 0.949 138 S CB 0.324 63.525 63.200 0.002 0.000 0.774 138 S HN 0.518 nan 8.310 nan 0.000 0.510 139 G N 0.943 109.748 108.800 0.008 0.000 2.175 139 G HA2 -0.233 3.730 3.960 0.005 0.000 0.244 139 G HA3 -0.233 3.730 3.960 0.005 0.000 0.244 139 G C 0.422 175.350 174.900 0.046 0.000 0.982 139 G CA 0.357 45.473 45.100 0.027 0.000 0.641 139 G HN 0.485 nan 8.290 nan 0.000 0.527 140 D N -0.827 119.602 120.400 0.048 0.000 2.144 140 D HA -0.021 4.622 4.640 0.005 0.000 0.200 140 D C 1.161 177.505 176.300 0.074 0.000 0.978 140 D CA 0.477 54.505 54.000 0.046 0.000 0.833 140 D CB -0.072 40.750 40.800 0.037 0.000 0.961 140 D HN 0.512 nan 8.370 nan 0.000 0.470 141 W N 3.082 124.329 121.300 -0.088 0.000 2.529 141 W HA 0.091 4.755 4.660 0.006 0.000 0.319 141 W C -0.226 176.246 176.519 -0.078 0.000 1.362 141 W CA -0.089 57.199 57.345 -0.096 0.000 1.348 141 W CB 0.195 29.548 29.460 -0.179 0.000 1.403 141 W HN -0.260 nan 8.180 nan 0.000 0.519 142 K N 4.654 125.024 120.400 -0.050 0.000 2.123 142 K HA 0.476 4.799 4.320 0.005 0.000 0.259 142 K C 0.580 177.198 176.600 0.030 0.000 0.960 142 K CA -0.553 55.746 56.287 0.020 0.000 0.872 142 K CB 1.412 33.895 32.500 -0.028 0.000 1.079 142 K HN 0.581 nan 8.250 nan 0.000 0.440 143 G N 0.532 109.405 108.800 0.122 0.000 2.588 143 G HA2 0.037 4.000 3.960 0.005 0.000 0.278 143 G HA3 0.037 4.000 3.960 0.005 0.000 0.278 143 G C 0.718 175.816 174.900 0.331 0.000 1.307 143 G CA -0.220 45.013 45.100 0.221 0.000 1.016 143 G HN 0.743 nan 8.290 nan 0.000 0.503 144 Y N -1.966 118.693 120.300 0.597 0.000 2.483 144 Y HA -0.024 4.529 4.550 0.005 0.000 0.291 144 Y C 2.228 178.232 175.900 0.174 0.000 1.143 144 Y CA 1.455 59.768 58.100 0.354 0.000 1.289 144 Y CB -0.397 38.301 38.460 0.397 0.000 0.983 144 Y HN 0.340 nan 8.280 nan 0.000 0.556 145 T N -3.572 110.752 114.554 -0.384 0.000 3.105 145 T HA 0.484 4.837 4.350 0.005 0.000 0.253 145 T C 1.410 176.040 174.700 -0.117 0.000 1.047 145 T CA 0.123 62.034 62.100 -0.316 0.000 0.944 145 T CB -0.073 68.518 68.868 -0.462 0.000 1.016 145 T HN 0.864 nan 8.240 nan 0.000 0.544 146 G N 1.323 110.097 108.800 -0.043 0.000 2.132 146 G HA2 -0.209 3.754 3.960 0.005 0.000 0.234 146 G HA3 -0.209 3.754 3.960 0.005 0.000 0.234 146 G C -0.168 174.730 174.900 -0.004 0.000 0.989 146 G CA -0.116 44.974 45.100 -0.017 0.000 0.676 146 G HN 0.654 nan 8.290 nan 0.000 0.522 147 K N 0.617 121.023 120.400 0.011 0.000 2.118 147 K HA 0.618 4.941 4.320 0.005 0.000 0.254 147 K C 0.486 177.124 176.600 0.063 0.000 0.961 147 K CA -0.507 55.797 56.287 0.028 0.000 0.876 147 K CB 1.300 33.813 32.500 0.022 0.000 1.077 147 K HN 0.122 nan 8.250 nan 0.000 0.440 148 S N 1.635 117.368 115.700 0.055 0.000 2.579 148 S HA 0.126 4.599 4.470 0.005 0.000 0.275 148 S C 0.449 175.093 174.600 0.074 0.000 1.345 148 S CA -0.547 57.692 58.200 0.065 0.000 1.031 148 S CB 0.271 63.496 63.200 0.042 0.000 0.892 148 S HN 0.303 nan 8.310 nan 0.000 0.529 149 I N 3.068 123.677 120.570 0.066 0.000 2.496 149 I HA 0.091 4.264 4.170 0.005 0.000 0.285 149 I C 1.674 177.803 176.117 0.021 0.000 1.080 149 I CA 0.339 61.662 61.300 0.038 0.000 1.404 149 I CB 0.547 38.521 38.000 -0.044 0.000 1.403 149 I HN 0.888 nan 8.210 nan 0.000 0.539 150 T N 0.398 114.976 114.554 0.039 0.000 2.959 150 T HA 0.251 4.604 4.350 0.005 0.000 0.254 150 T C 0.348 175.089 174.700 0.069 0.000 1.003 150 T CA -0.132 62.000 62.100 0.052 0.000 0.950 150 T CB 0.575 69.487 68.868 0.072 0.000 1.090 150 T HN 0.497 nan 8.240 nan 0.000 0.503 151 D N 1.236 121.661 120.400 0.041 0.000 2.896 151 D HA 0.437 5.080 4.640 0.005 0.000 0.241 151 D C -1.093 175.161 176.300 -0.076 0.000 1.188 151 D CA -0.492 53.547 54.000 0.064 0.000 0.879 151 D CB 2.485 43.317 40.800 0.053 0.000 1.553 151 D HN 0.102 nan 8.370 nan 0.000 0.515 152 I N 2.464 123.000 120.570 -0.057 0.000 2.404 152 I HA 0.411 4.584 4.170 0.005 0.000 0.293 152 I C -0.158 175.817 176.117 -0.238 0.000 0.992 152 I CA -0.711 60.470 61.300 -0.200 0.000 1.149 152 I CB 1.511 39.400 38.000 -0.185 0.000 1.315 152 I HN 0.264 nan 8.210 nan 0.000 0.446 153 I N 5.185 125.515 120.570 -0.400 0.000 2.420 153 I HA 0.256 4.429 4.170 0.005 0.000 0.282 153 I C 0.111 176.059 176.117 -0.281 0.000 1.019 153 I CA -0.349 60.729 61.300 -0.370 0.000 1.130 153 I CB 1.066 38.753 38.000 -0.522 0.000 1.262 153 I HN 0.429 nan 8.210 nan 0.000 0.454 154 N N 6.564 125.034 118.700 -0.383 0.000 2.430 154 N HA 0.470 5.213 4.740 0.005 0.000 0.265 154 N C -0.986 174.465 175.510 -0.097 0.000 1.100 154 N CA -0.038 52.863 53.050 -0.249 0.000 0.961 154 N CB 0.670 38.954 38.487 -0.338 0.000 1.075 154 N HN 0.472 nan 8.380 nan 0.000 0.478 155 I N 2.844 123.397 120.570 -0.027 0.000 2.362 155 I HA 0.624 4.797 4.170 0.005 0.000 0.289 155 I C 0.631 176.731 176.117 -0.028 0.000 0.994 155 I CA -0.541 60.748 61.300 -0.019 0.000 1.158 155 I CB 1.425 39.420 38.000 -0.007 0.000 1.315 155 I HN 0.629 nan 8.210 nan 0.000 0.451 156 G N 6.056 114.849 108.800 -0.012 0.000 2.355 156 G HA2 0.488 4.451 3.960 0.005 0.000 0.296 156 G HA3 0.488 4.451 3.960 0.005 0.000 0.296 156 G C -2.115 172.789 174.900 0.006 0.000 1.507 156 G CA -0.515 44.575 45.100 -0.017 0.000 0.823 156 G HN 0.503 nan 8.290 nan 0.000 0.569 157 I N 0.083 120.646 120.570 -0.011 0.000 2.934 157 I HA 0.672 4.845 4.170 0.005 0.000 0.306 157 I C 1.173 177.273 176.117 -0.028 0.000 1.110 157 I CA 0.772 62.067 61.300 -0.008 0.000 1.019 157 I CB 2.013 40.006 38.000 -0.011 0.000 1.227 157 I HN 1.907 nan 8.210 nan 0.000 0.434 158 G N 3.738 112.512 108.800 -0.043 0.000 2.629 158 G HA2 -0.360 3.604 3.960 0.005 0.000 0.313 158 G HA3 -0.360 3.604 3.960 0.005 0.000 0.313 158 G C 0.942 175.783 174.900 -0.098 0.000 1.217 158 G CA 0.527 45.580 45.100 -0.079 0.000 0.994 158 G HN 1.266 nan 8.290 nan 0.000 0.549 159 G N -0.601 108.140 108.800 -0.100 0.000 2.470 159 G HA2 0.126 4.089 3.960 0.005 0.000 0.220 159 G HA3 0.126 4.089 3.960 0.005 0.000 0.220 159 G C 1.748 176.607 174.900 -0.070 0.000 1.121 159 G CA 1.909 46.945 45.100 -0.106 0.000 0.766 159 G HN 1.174 nan 8.290 nan 0.000 0.553 160 S N -0.594 115.083 115.700 -0.037 0.000 2.605 160 S HA 0.161 4.634 4.470 0.005 0.000 0.217 160 S C 1.147 175.746 174.600 -0.002 0.000 0.958 160 S CA 0.703 58.891 58.200 -0.019 0.000 0.919 160 S CB 0.272 63.480 63.200 0.013 0.000 0.780 160 S HN 0.645 nan 8.310 nan 0.000 0.507 161 D N 0.408 120.794 120.400 -0.024 0.000 2.760 161 D HA 0.178 4.821 4.640 0.005 0.000 0.285 161 D C 1.556 177.778 176.300 -0.130 0.000 1.178 161 D CA -0.080 53.914 54.000 -0.010 0.000 1.031 161 D CB -0.342 40.466 40.800 0.014 0.000 1.544 161 D HN 0.147 nan 8.370 nan 0.000 0.468 162 L N 0.654 121.807 121.223 -0.116 0.000 2.046 162 L HA 0.112 4.455 4.340 0.005 0.000 0.208 162 L C 2.511 179.324 176.870 -0.094 0.000 1.077 162 L CA 1.593 56.364 54.840 -0.116 0.000 0.747 162 L CB -0.674 41.325 42.059 -0.100 0.000 0.896 162 L HN 0.252 nan 8.230 nan 0.000 0.432 163 G N 0.459 109.236 108.800 -0.038 0.000 2.453 163 G HA2 -0.168 3.796 3.960 0.005 0.000 0.215 163 G HA3 -0.168 3.796 3.960 0.005 0.000 0.215 163 G C -0.722 173.966 174.900 -0.352 0.000 1.201 163 G CA 0.676 45.632 45.100 -0.239 0.000 0.784 163 G HN 0.300 nan 8.290 nan 0.000 0.545 164 P HA -0.078 nan 4.420 nan 0.000 0.215 164 P C 2.037 179.045 177.300 -0.487 0.000 1.153 164 P CA 0.581 63.569 63.100 -0.186 0.000 0.853 164 P CB -0.095 31.659 31.700 0.090 0.000 0.788 165 L N -1.137 119.500 121.223 -0.975 0.000 1.994 165 L HA -0.130 4.213 4.340 0.005 0.000 0.208 165 L C 2.274 178.793 176.870 -0.585 0.000 1.071 165 L CA 2.041 56.109 54.840 -1.286 0.000 0.745 165 L CB -1.398 40.013 42.059 -1.079 0.000 0.892 165 L HN -0.083 nan 8.230 nan 0.000 0.431 166 M N -1.217 118.119 119.600 -0.440 0.000 2.117 166 M HA -0.154 4.329 4.480 0.005 0.000 0.262 166 M C 2.112 178.266 176.300 -0.244 0.000 1.065 166 M CA 2.088 57.194 55.300 -0.323 0.000 1.114 166 M CB -0.422 31.965 32.600 -0.355 0.000 1.361 166 M HN 0.212 nan 8.290 nan 0.000 0.408 167 V N 0.697 120.441 119.914 -0.283 0.000 2.379 167 V HA -0.226 3.897 4.120 0.005 0.000 0.245 167 V C 2.615 178.665 176.094 -0.075 0.000 1.044 167 V CA 2.177 64.365 62.300 -0.186 0.000 1.036 167 V CB -1.491 30.194 31.823 -0.230 0.000 0.664 167 V HN 0.673 nan 8.190 nan 0.000 0.453 168 T N -2.179 112.342 114.554 -0.055 0.000 2.788 168 T HA -0.191 4.162 4.350 0.005 0.000 0.268 168 T C 1.730 176.474 174.700 0.073 0.000 1.044 168 T CA 1.308 63.454 62.100 0.077 0.000 1.139 168 T CB -0.287 68.638 68.868 0.095 0.000 0.867 168 T HN 0.392 nan 8.240 nan 0.000 0.454 169 E N 1.851 122.054 120.200 0.006 0.000 2.051 169 E HA 0.016 4.369 4.350 0.005 0.000 0.192 169 E C 2.649 179.329 176.600 0.134 0.000 0.991 169 E CA 1.403 57.867 56.400 0.107 0.000 0.799 169 E CB -0.766 28.985 29.700 0.084 0.000 0.748 169 E HN 0.690 nan 8.360 nan 0.000 0.449 170 A N 0.665 123.522 122.820 0.062 0.000 1.969 170 A HA -0.067 4.256 4.320 0.005 0.000 0.218 170 A C 1.994 179.532 177.584 -0.077 0.000 1.169 170 A CA 0.852 52.926 52.037 0.062 0.000 0.635 170 A CB -0.253 18.774 19.000 0.046 0.000 0.810 170 A HN 0.176 nan 8.150 nan 0.000 0.445 171 L N -1.148 120.041 121.223 -0.057 0.000 2.872 171 L HA 0.148 4.492 4.340 0.005 0.000 0.245 171 L C 1.653 178.493 176.870 -0.051 0.000 1.211 171 L CA -0.227 54.615 54.840 0.005 0.000 1.013 171 L CB 0.179 42.250 42.059 0.021 0.000 1.326 171 L HN 0.157 nan 8.230 nan 0.000 0.525 172 K N 2.011 122.279 120.400 -0.220 0.000 2.089 172 K HA -0.162 4.162 4.320 0.005 0.000 0.210 172 K C -0.744 175.708 176.600 -0.246 0.000 1.048 172 K CA 1.955 58.147 56.287 -0.158 0.000 0.926 172 K CB -1.009 31.448 32.500 -0.071 0.000 0.714 172 K HN 0.133 nan 8.250 nan 0.000 0.448 173 P HA -0.109 nan 4.420 nan 0.000 0.225 173 P C 0.071 177.008 177.300 -0.604 0.000 1.148 173 P CA 1.114 63.909 63.100 -0.509 0.000 0.779 173 P CB -0.019 31.241 31.700 -0.734 0.000 0.780 174 Y N -1.214 118.933 120.300 -0.254 0.000 2.493 174 Y HA 0.124 4.676 4.550 0.005 0.000 0.275 174 Y C 1.748 177.554 175.900 -0.157 0.000 1.183 174 Y CA 0.118 58.055 58.100 -0.272 0.000 1.258 174 Y CB -0.328 37.789 38.460 -0.572 0.000 1.108 174 Y HN 0.027 nan 8.280 nan 0.000 0.521 175 S N -1.081 114.531 115.700 -0.147 0.000 2.572 175 S HA 0.110 4.583 4.470 0.005 0.000 0.228 175 S C 0.380 174.866 174.600 -0.191 0.000 0.963 175 S CA -0.698 57.319 58.200 -0.306 0.000 0.939 175 S CB -0.145 62.581 63.200 -0.790 0.000 0.804 175 S HN 0.213 nan 8.310 nan 0.000 0.480 176 K N 1.424 121.770 120.400 -0.089 0.000 2.484 176 K HA 0.356 4.679 4.320 0.005 0.000 0.280 176 K C 1.302 177.886 176.600 -0.028 0.000 1.013 176 K CA 1.262 57.520 56.287 -0.049 0.000 1.029 176 K CB -0.366 32.117 32.500 -0.027 0.000 0.902 176 K HN 0.450 nan 8.250 nan 0.000 0.481 177 G N 2.252 111.037 108.800 -0.024 0.000 2.179 177 G HA2 -0.226 3.737 3.960 0.005 0.000 0.260 177 G HA3 -0.226 3.737 3.960 0.005 0.000 0.260 177 G C 0.302 175.192 174.900 -0.017 0.000 0.977 177 G CA -0.060 45.032 45.100 -0.012 0.000 0.641 177 G HN 0.946 nan 8.290 nan 0.000 0.533 178 G N 0.284 109.060 108.800 -0.041 0.000 2.437 178 G HA2 0.744 4.707 3.960 0.005 0.000 0.319 178 G HA3 0.744 4.707 3.960 0.005 0.000 0.319 178 G C -1.746 173.169 174.900 0.024 0.000 1.158 178 G CA -0.705 44.379 45.100 -0.028 0.000 0.899 178 G HN 0.247 nan 8.290 nan 0.000 0.502 179 P HA 0.199 nan 4.420 nan 0.000 0.272 179 P C -0.102 177.289 177.300 0.151 0.000 1.223 179 P CA -0.404 62.738 63.100 0.069 0.000 0.784 179 P CB 1.102 32.811 31.700 0.014 0.000 0.923 180 R N 0.210 120.776 120.500 0.110 0.000 2.679 180 R HA 0.302 4.645 4.340 0.005 0.000 0.268 180 R C -0.041 176.214 176.300 -0.075 0.000 1.044 180 R CA -0.175 55.947 56.100 0.037 0.000 1.105 180 R CB 0.232 30.565 30.300 0.055 0.000 0.989 180 R HN 0.292 nan 8.270 nan 0.000 0.447 181 V N 3.910 123.602 119.914 -0.369 0.000 2.604 181 V HA 0.504 4.627 4.120 0.005 0.000 0.305 181 V C -1.552 174.204 176.094 -0.564 0.000 1.043 181 V CA -0.643 61.392 62.300 -0.442 0.000 0.888 181 V CB 1.247 32.714 31.823 -0.592 0.000 0.995 181 V HN 0.670 nan 8.190 nan 0.000 0.429 182 W N 4.931 125.918 121.300 -0.522 0.000 2.844 182 W HA 0.718 5.381 4.660 0.006 0.000 0.340 182 W C -1.141 174.989 176.519 -0.649 0.000 1.093 182 W CA -0.719 56.401 57.345 -0.376 0.000 1.212 182 W CB 1.747 31.042 29.460 -0.276 0.000 1.422 182 W HN 0.386 nan 8.180 nan 0.000 0.515 183 F N 2.133 122.123 119.950 0.068 0.000 2.496 183 F HA 0.544 5.074 4.527 0.006 0.000 0.341 183 F C -0.276 175.422 175.800 -0.171 0.000 1.134 183 F CA -1.132 56.849 58.000 -0.032 0.000 0.968 183 F CB 1.197 40.180 39.000 -0.028 0.000 1.205 183 F HN -0.173 nan 8.300 nan 0.000 0.436 184 V N 3.068 122.905 119.914 -0.129 0.000 2.398 184 V HA 0.434 4.557 4.120 0.005 0.000 0.286 184 V C 0.148 176.148 176.094 -0.157 0.000 1.026 184 V CA 0.018 62.065 62.300 -0.422 0.000 0.868 184 V CB 1.383 33.047 31.823 -0.265 0.000 0.982 184 V HN 0.941 nan 8.190 nan 0.000 0.443 185 S N 2.797 118.474 115.700 -0.039 0.000 3.265 185 S HA 0.150 4.623 4.470 0.005 0.000 0.259 185 S C 0.666 175.370 174.600 0.173 0.000 1.089 185 S CA -0.228 58.050 58.200 0.130 0.000 0.811 185 S CB -0.134 63.170 63.200 0.172 0.000 0.858 185 S HN 0.540 nan 8.310 nan 0.000 0.452 186 N N 1.599 120.514 118.700 0.358 0.000 2.454 186 N HA 0.180 4.923 4.740 0.005 0.000 0.254 186 N C 0.731 176.314 175.510 0.123 0.000 1.228 186 N CA -0.065 53.090 53.050 0.175 0.000 0.900 186 N CB 0.876 39.420 38.487 0.096 0.000 1.089 186 N HN 0.305 nan 8.380 nan 0.000 0.449 187 I N 1.729 122.333 120.570 0.057 0.000 2.493 187 I HA -0.117 4.056 4.170 0.005 0.000 0.254 187 I C 0.341 176.483 176.117 0.042 0.000 1.160 187 I CA 0.616 61.938 61.300 0.036 0.000 1.445 187 I CB -0.565 37.444 38.000 0.015 0.000 1.086 187 I HN 0.563 nan 8.210 nan 0.000 0.433 188 D N 0.566 120.991 120.400 0.042 0.000 2.662 188 D HA -0.065 4.578 4.640 0.005 0.000 0.233 188 D C 1.550 177.884 176.300 0.056 0.000 1.129 188 D CA 0.929 54.951 54.000 0.035 0.000 0.851 188 D CB 0.835 41.644 40.800 0.016 0.000 1.152 188 D HN 0.348 nan 8.370 nan 0.000 0.507 189 G N 3.187 112.011 108.800 0.040 0.000 2.470 189 G HA2 -0.266 3.697 3.960 0.005 0.000 0.220 189 G HA3 -0.266 3.697 3.960 0.005 0.000 0.220 189 G C 1.507 176.436 174.900 0.049 0.000 1.121 189 G CA 1.047 46.170 45.100 0.039 0.000 0.766 189 G HN 0.592 nan 8.290 nan 0.000 0.553 190 T N -0.382 114.203 114.554 0.052 0.000 2.685 190 T HA -0.218 4.135 4.350 0.005 0.000 0.268 190 T C 1.881 176.650 174.700 0.116 0.000 1.034 190 T CA 1.629 63.765 62.100 0.060 0.000 1.149 190 T CB -0.392 68.498 68.868 0.037 0.000 0.860 190 T HN 0.606 nan 8.240 nan 0.000 0.449 191 H N -0.398 118.678 119.070 0.010 0.000 2.270 191 H HA 0.027 4.586 4.556 0.005 0.000 0.299 191 H C 2.455 177.783 175.328 -0.000 0.000 1.077 191 H CA 1.347 57.407 56.048 0.020 0.000 1.294 191 H CB -0.122 29.656 29.762 0.027 0.000 1.371 191 H HN 0.268 nan 8.280 nan 0.000 0.491 192 I N 0.327 120.925 120.570 0.047 0.000 2.315 192 I HA -0.193 3.980 4.170 0.005 0.000 0.248 192 I C 2.511 178.563 176.117 -0.109 0.000 1.117 192 I CA 1.055 62.307 61.300 -0.080 0.000 1.404 192 I CB -0.193 37.756 38.000 -0.084 0.000 1.071 192 I HN 0.335 nan 8.210 nan 0.000 0.419 193 A N 1.746 124.538 122.820 -0.046 0.000 1.877 193 A HA -0.275 4.048 4.320 0.005 0.000 0.216 193 A C 2.334 179.884 177.584 -0.055 0.000 1.186 193 A CA 2.180 54.185 52.037 -0.053 0.000 0.620 193 A CB -0.706 18.292 19.000 -0.003 0.000 0.822 193 A HN 0.605 nan 8.150 nan 0.000 0.443 194 K N -1.274 119.125 120.400 -0.002 0.000 2.217 194 K HA -0.056 4.267 4.320 0.005 0.000 0.202 194 K C 1.670 178.255 176.600 -0.024 0.000 1.051 194 K CA 1.705 58.004 56.287 0.020 0.000 0.952 194 K CB -0.635 31.914 32.500 0.080 0.000 0.736 194 K HN 0.284 nan 8.250 nan 0.000 0.453 195 T N 2.326 116.835 114.554 -0.076 0.000 2.701 195 T HA -0.002 4.351 4.350 0.005 0.000 0.263 195 T C 1.848 176.252 174.700 -0.493 0.000 1.040 195 T CA 1.221 63.175 62.100 -0.242 0.000 1.147 195 T CB -0.160 68.587 68.868 -0.201 0.000 0.865 195 T HN 0.136 nan 8.240 nan 0.000 0.426 196 L N 0.890 121.837 121.223 -0.459 0.000 2.201 196 L HA 0.021 4.364 4.340 0.005 0.000 0.212 196 L C 2.967 179.649 176.870 -0.313 0.000 1.105 196 L CA 0.690 55.140 54.840 -0.651 0.000 0.775 196 L CB -0.657 40.778 42.059 -1.039 0.000 0.913 196 L HN 0.233 nan 8.230 nan 0.000 0.440 197 A N 0.195 122.913 122.820 -0.170 0.000 1.978 197 A HA -0.184 4.139 4.320 0.005 0.000 0.220 197 A C 2.309 179.889 177.584 -0.006 0.000 1.170 197 A CA 1.979 54.002 52.037 -0.024 0.000 0.636 197 A CB -0.427 18.571 19.000 -0.002 0.000 0.810 197 A HN 0.512 nan 8.150 nan 0.000 0.448 198 S N -1.612 114.027 115.700 -0.101 0.000 2.557 198 S HA 0.551 5.024 4.470 0.005 0.000 0.223 198 S C 0.169 174.711 174.600 -0.096 0.000 0.969 198 S CA -0.525 57.640 58.200 -0.058 0.000 0.927 198 S CB -0.324 62.874 63.200 -0.004 0.000 0.806 198 S HN 0.299 nan 8.310 nan 0.000 0.489 199 L N 1.147 122.303 121.223 -0.112 0.000 2.322 199 L HA 0.641 4.984 4.340 0.005 0.000 0.269 199 L C 0.064 177.079 176.870 0.242 0.000 1.012 199 L CA -0.741 54.072 54.840 -0.045 0.000 0.815 199 L CB 1.935 43.835 42.059 -0.265 0.000 1.295 199 L HN 0.127 nan 8.230 nan 0.000 0.438 200 S N 0.751 116.584 115.700 0.222 0.000 2.451 200 S HA 0.426 4.899 4.470 0.005 0.000 0.301 200 S C -1.952 172.841 174.600 0.321 0.000 1.116 200 S CA -1.542 56.799 58.200 0.235 0.000 1.093 200 S CB 1.482 64.763 63.200 0.135 0.000 1.017 200 S HN 0.328 nan 8.310 nan 0.000 0.482 201 P HA -0.045 nan 4.420 nan 0.000 0.222 201 P C 0.675 178.204 177.300 0.381 0.000 1.147 201 P CA 0.964 64.180 63.100 0.193 0.000 0.790 201 P CB 0.122 31.633 31.700 -0.315 0.000 0.780 202 E N -0.974 119.409 120.200 0.305 0.000 2.204 202 E HA -0.077 4.276 4.350 0.005 0.000 0.194 202 E C 0.958 177.776 176.600 0.363 0.000 0.989 202 E CA 1.620 58.168 56.400 0.248 0.000 0.824 202 E CB -0.376 29.317 29.700 -0.011 0.000 0.756 202 E HN 0.373 nan 8.360 nan 0.000 0.477 203 T N -2.573 112.158 114.554 0.295 0.000 3.231 203 T HA 0.252 4.606 4.350 0.005 0.000 0.292 203 T C 0.211 175.015 174.700 0.174 0.000 1.001 203 T CA -0.534 61.699 62.100 0.222 0.000 0.920 203 T CB 0.695 69.640 68.868 0.129 0.000 1.140 203 T HN -0.204 nan 8.240 nan 0.000 0.525 204 S N 1.597 117.434 115.700 0.228 0.000 2.451 204 S HA 0.717 5.190 4.470 0.005 0.000 0.301 204 S C -0.902 173.679 174.600 -0.031 0.000 1.116 204 S CA -0.752 57.442 58.200 -0.011 0.000 1.093 204 S CB 1.716 64.847 63.200 -0.116 0.000 1.017 204 S HN 0.518 nan 8.310 nan 0.000 0.482 205 L N 3.682 124.740 121.223 -0.275 0.000 2.333 205 L HA 0.644 4.987 4.340 0.005 0.000 0.280 205 L C -1.686 174.876 176.870 -0.513 0.000 1.004 205 L CA -0.648 54.024 54.840 -0.279 0.000 0.820 205 L CB 0.646 42.572 42.059 -0.222 0.000 1.247 205 L HN 0.538 nan 8.230 nan 0.000 0.416 206 F N 5.441 125.145 119.950 -0.410 0.000 2.408 206 F HA 0.472 5.002 4.527 0.005 0.000 0.344 206 F C 0.159 175.812 175.800 -0.245 0.000 1.112 206 F CA -0.358 57.382 58.000 -0.433 0.000 1.096 206 F CB 1.243 39.754 39.000 -0.816 0.000 1.129 206 F HN 0.212 nan 8.300 nan 0.000 0.486 207 I N 5.266 125.825 120.570 -0.019 0.000 2.330 207 I HA 0.262 4.435 4.170 0.005 0.000 0.289 207 I C -0.718 175.426 176.117 0.044 0.000 1.001 207 I CA -0.605 60.687 61.300 -0.013 0.000 1.193 207 I CB 1.006 38.938 38.000 -0.114 0.000 1.345 207 I HN 0.311 nan 8.210 nan 0.000 0.461 208 I N 6.102 126.740 120.570 0.115 0.000 2.291 208 I HA 0.356 4.529 4.170 0.005 0.000 0.290 208 I C 0.590 176.781 176.117 0.123 0.000 1.050 208 I CA -0.305 61.040 61.300 0.074 0.000 1.245 208 I CB 0.713 38.742 38.000 0.048 0.000 1.405 208 I HN 0.515 nan 8.210 nan 0.000 0.478 209 A N 4.922 127.767 122.820 0.041 0.000 2.256 209 A HA 0.659 4.982 4.320 0.005 0.000 0.317 209 A C 0.107 177.729 177.584 0.064 0.000 1.318 209 A CA -0.384 51.701 52.037 0.080 0.000 0.894 209 A CB 0.801 19.818 19.000 0.028 0.000 1.165 209 A HN 0.642 nan 8.150 nan 0.000 0.525 210 S N 2.092 117.900 115.700 0.179 0.000 2.616 210 S HA 0.240 4.713 4.470 0.005 0.000 0.276 210 S C 0.560 175.305 174.600 0.243 0.000 1.159 210 S CA -0.451 57.827 58.200 0.129 0.000 1.000 210 S CB 0.991 64.135 63.200 -0.093 0.000 1.117 210 S HN 0.814 nan 8.310 nan 0.000 0.464 211 K N 2.285 122.829 120.400 0.240 0.000 2.020 211 K HA -0.133 4.190 4.320 0.005 0.000 0.212 211 K C 1.791 178.360 176.600 -0.051 0.000 1.050 211 K CA 2.603 58.950 56.287 0.099 0.000 0.929 211 K CB -0.432 32.166 32.500 0.164 0.000 0.714 211 K HN 0.771 nan 8.250 nan 0.000 0.443 212 T N -2.768 111.798 114.554 0.020 0.000 3.043 212 T HA -0.031 4.322 4.350 0.005 0.000 0.263 212 T C 0.955 175.724 174.700 0.115 0.000 1.094 212 T CA 0.493 62.604 62.100 0.018 0.000 1.127 212 T CB -0.363 68.509 68.868 0.007 0.000 0.905 212 T HN 0.363 nan 8.240 nan 0.000 0.490 213 F N 2.223 122.128 119.950 -0.075 0.000 3.084 213 F HA -0.297 4.234 4.527 0.005 0.000 0.286 213 F C 1.079 176.842 175.800 -0.061 0.000 0.855 213 F CA 1.092 59.044 58.000 -0.081 0.000 1.091 213 F CB -1.590 37.356 39.000 -0.090 0.000 1.177 213 F HN 0.529 nan 8.300 nan 0.000 0.542 214 T N -5.218 109.325 114.554 -0.019 0.000 3.058 214 T HA 0.167 4.520 4.350 0.005 0.000 0.278 214 T C 0.551 175.216 174.700 -0.058 0.000 0.974 214 T CA 0.508 62.594 62.100 -0.024 0.000 0.893 214 T CB 0.149 69.029 68.868 0.020 0.000 1.138 214 T HN 0.088 nan 8.240 nan 0.000 0.529 215 T N 3.236 117.738 114.554 -0.087 0.000 2.831 215 T HA 0.069 4.422 4.350 0.005 0.000 0.291 215 T C 1.262 175.910 174.700 -0.088 0.000 0.981 215 T CA 0.070 62.125 62.100 -0.075 0.000 1.174 215 T CB 1.344 70.165 68.868 -0.078 0.000 0.929 215 T HN 0.413 nan 8.240 nan 0.000 0.532 216 Q N 2.653 122.422 119.800 -0.052 0.000 2.061 216 Q HA -0.212 4.131 4.340 0.005 0.000 0.204 216 Q C 1.755 177.725 176.000 -0.051 0.000 0.984 216 Q CA 1.897 57.675 55.803 -0.042 0.000 0.846 216 Q CB 0.059 28.786 28.738 -0.018 0.000 0.902 216 Q HN 0.741 nan 8.270 nan 0.000 0.421 217 E N -0.485 119.688 120.200 -0.045 0.000 2.058 217 E HA -0.161 4.192 4.350 0.005 0.000 0.194 217 E C 2.021 178.582 176.600 -0.065 0.000 0.997 217 E CA 1.984 58.361 56.400 -0.037 0.000 0.801 217 E CB -0.208 29.480 29.700 -0.021 0.000 0.746 217 E HN 0.326 nan 8.360 nan 0.000 0.450 218 T N 0.937 115.427 114.554 -0.106 0.000 2.737 218 T HA -0.075 4.278 4.350 0.005 0.000 0.265 218 T C 1.722 176.281 174.700 -0.236 0.000 1.038 218 T CA 0.807 62.808 62.100 -0.165 0.000 1.144 218 T CB -0.072 68.672 68.868 -0.207 0.000 0.866 218 T HN 0.033 nan 8.240 nan 0.000 0.434 219 I N 1.778 122.194 120.570 -0.256 0.000 2.252 219 I HA -0.100 4.073 4.170 0.005 0.000 0.245 219 I C 2.599 178.658 176.117 -0.095 0.000 1.102 219 I CA 1.404 62.546 61.300 -0.263 0.000 1.385 219 I CB -1.852 36.023 38.000 -0.207 0.000 1.064 219 I HN 0.255 nan 8.210 nan 0.000 0.414 220 T N 1.379 115.898 114.554 -0.058 0.000 2.708 220 T HA -0.131 4.222 4.350 0.005 0.000 0.266 220 T C 1.795 176.490 174.700 -0.009 0.000 1.037 220 T CA 1.321 63.413 62.100 -0.012 0.000 1.146 220 T CB -0.234 68.628 68.868 -0.010 0.000 0.865 220 T HN 0.253 nan 8.240 nan 0.000 0.435 221 N N 1.308 119.987 118.700 -0.034 0.000 2.120 221 N HA -0.019 4.724 4.740 0.005 0.000 0.188 221 N C 2.113 177.608 175.510 -0.025 0.000 1.024 221 N CA 1.343 54.373 53.050 -0.033 0.000 0.852 221 N CB -0.509 37.950 38.487 -0.046 0.000 1.003 221 N HN 0.430 nan 8.380 nan 0.000 0.424 222 A N 1.175 123.970 122.820 -0.041 0.000 1.902 222 A HA -0.127 4.196 4.320 0.005 0.000 0.217 222 A C 2.083 179.796 177.584 0.215 0.000 1.181 222 A CA 1.346 53.402 52.037 0.032 0.000 0.623 222 A CB -0.454 18.394 19.000 -0.252 0.000 0.818 222 A HN 0.342 nan 8.150 nan 0.000 0.443 223 E N -0.968 119.353 120.200 0.202 0.000 2.150 223 E HA -0.102 4.251 4.350 0.005 0.000 0.193 223 E C 1.983 178.625 176.600 0.071 0.000 0.985 223 E CA 1.409 57.909 56.400 0.167 0.000 0.814 223 E CB -0.205 29.577 29.700 0.136 0.000 0.752 223 E HN 0.587 nan 8.360 nan 0.000 0.466 224 T N 0.736 115.322 114.554 0.053 0.000 2.777 224 T HA -0.123 4.230 4.350 0.005 0.000 0.266 224 T C 1.975 176.713 174.700 0.062 0.000 1.040 224 T CA 1.116 63.243 62.100 0.044 0.000 1.141 224 T CB -0.149 68.728 68.868 0.016 0.000 0.868 224 T HN 0.230 nan 8.240 nan 0.000 0.444 225 A N 1.494 124.313 122.820 -0.002 0.000 1.902 225 A HA -0.096 4.227 4.320 0.005 0.000 0.217 225 A C 2.222 179.911 177.584 0.174 0.000 1.181 225 A CA 1.853 53.823 52.037 -0.112 0.000 0.623 225 A CB -0.492 18.170 19.000 -0.564 0.000 0.818 225 A HN 0.448 nan 8.150 nan 0.000 0.443 226 K N -0.363 120.108 120.400 0.119 0.000 2.057 226 K HA -0.186 4.137 4.320 0.005 0.000 0.207 226 K C 2.111 178.765 176.600 0.090 0.000 1.049 226 K CA 1.587 57.848 56.287 -0.042 0.000 0.931 226 K CB -0.146 32.125 32.500 -0.381 0.000 0.714 226 K HN 0.645 nan 8.250 nan 0.000 0.440 227 E N -0.481 119.766 120.200 0.078 0.000 2.077 227 E HA -0.237 4.116 4.350 0.005 0.000 0.193 227 E C 1.782 178.461 176.600 0.131 0.000 0.989 227 E CA 1.417 57.858 56.400 0.068 0.000 0.800 227 E CB -0.246 29.488 29.700 0.056 0.000 0.746 227 E HN 0.495 nan 8.360 nan 0.000 0.452 228 W N 0.454 121.767 121.300 0.022 0.000 2.358 228 W HA -0.250 4.413 4.660 0.006 0.000 0.303 228 W C 1.933 178.494 176.519 0.069 0.000 1.208 228 W CA 1.881 59.250 57.345 0.040 0.000 1.274 228 W CB -0.595 28.899 29.460 0.057 0.000 1.138 228 W HN 0.184 nan 8.180 nan 0.000 0.515 229 F N 0.769 120.790 119.950 0.120 0.000 2.102 229 F HA -0.162 4.368 4.527 0.005 0.000 0.298 229 F C 2.045 177.692 175.800 -0.255 0.000 1.105 229 F CA 2.137 60.076 58.000 -0.102 0.000 1.239 229 F CB -0.805 38.358 39.000 0.271 0.000 0.991 229 F HN -0.170 nan 8.300 nan 0.000 0.474 230 L N -0.045 121.041 121.223 -0.227 0.000 2.275 230 L HA -0.161 4.182 4.340 0.005 0.000 0.215 230 L C 2.285 178.939 176.870 -0.361 0.000 1.119 230 L CA 1.179 55.810 54.840 -0.350 0.000 0.790 230 L CB -0.663 41.314 42.059 -0.137 0.000 0.919 230 L HN 0.200 nan 8.230 nan 0.000 0.443 231 E N 0.010 120.030 120.200 -0.301 0.000 2.110 231 E HA -0.224 4.129 4.350 0.005 0.000 0.193 231 E C 2.192 178.593 176.600 -0.332 0.000 0.988 231 E CA 1.324 57.566 56.400 -0.263 0.000 0.804 231 E CB 0.000 29.573 29.700 -0.211 0.000 0.745 231 E HN 0.520 nan 8.360 nan 0.000 0.458 232 A N 0.352 122.874 122.820 -0.495 0.000 1.911 232 A HA 0.201 4.524 4.320 0.005 0.000 0.212 232 A C 2.192 179.470 177.584 -0.509 0.000 1.189 232 A CA 1.004 52.768 52.037 -0.454 0.000 0.639 232 A CB -0.220 18.478 19.000 -0.503 0.000 0.839 232 A HN 0.277 nan 8.150 nan 0.000 0.449 233 A N -0.845 121.405 122.820 -0.950 0.000 1.970 233 A HA 0.149 4.472 4.320 0.005 0.000 0.216 233 A C 1.259 178.531 177.584 -0.520 0.000 1.170 233 A CA 1.262 52.616 52.037 -1.138 0.000 0.645 233 A CB -0.338 17.531 19.000 -1.884 0.000 0.816 233 A HN 0.457 nan 8.150 nan 0.000 0.447 234 K N -0.752 119.401 120.400 -0.411 0.000 3.020 234 K HA -0.211 4.112 4.320 0.005 0.000 0.266 234 K C -0.825 175.676 176.600 -0.165 0.000 1.067 234 K CA 1.058 57.208 56.287 -0.228 0.000 0.780 234 K CB -1.198 31.207 32.500 -0.159 0.000 1.220 234 K HN 0.587 nan 8.250 nan 0.000 0.483 235 D N -1.493 118.796 120.400 -0.185 0.000 2.478 235 D HA 0.223 4.866 4.640 0.005 0.000 0.240 235 D C -2.186 174.089 176.300 -0.041 0.000 1.364 235 D CA -2.139 51.808 54.000 -0.089 0.000 0.987 235 D CB 1.580 42.349 40.800 -0.052 0.000 1.328 235 D HN -0.292 nan 8.370 nan 0.000 0.584 236 P HA -0.118 nan 4.420 nan 0.000 0.219 236 P C 1.283 178.607 177.300 0.041 0.000 1.146 236 P CA 0.962 64.058 63.100 -0.007 0.000 0.808 236 P CB 0.243 31.922 31.700 -0.036 0.000 0.779 237 S N -0.787 114.943 115.700 0.049 0.000 2.453 237 S HA -0.002 4.471 4.470 0.005 0.000 0.231 237 S C 1.959 176.647 174.600 0.145 0.000 1.005 237 S CA 0.801 59.046 58.200 0.074 0.000 0.949 237 S CB -1.085 62.147 63.200 0.053 0.000 0.774 237 S HN 0.108 nan 8.310 nan 0.000 0.510 238 A N 1.228 124.172 122.820 0.206 0.000 2.119 238 A HA 0.226 4.549 4.320 0.005 0.000 0.217 238 A C 2.187 180.081 177.584 0.516 0.000 1.153 238 A CA 0.952 53.215 52.037 0.376 0.000 0.692 238 A CB -0.813 18.393 19.000 0.345 0.000 0.799 238 A HN 0.442 nan 8.150 nan 0.000 0.458 239 V N -0.013 120.136 119.914 0.392 0.000 2.469 239 V HA -0.310 3.813 4.120 0.005 0.000 0.251 239 V C 2.961 179.249 176.094 0.323 0.000 1.064 239 V CA 1.857 64.316 62.300 0.265 0.000 1.066 239 V CB -1.122 30.720 31.823 0.031 0.000 0.667 239 V HN 0.607 nan 8.190 nan 0.000 0.461 240 A N -0.480 122.499 122.820 0.265 0.000 2.125 240 A HA -0.196 4.127 4.320 0.005 0.000 0.219 240 A C 2.187 179.981 177.584 0.351 0.000 1.156 240 A CA 1.570 53.766 52.037 0.266 0.000 0.671 240 A CB -0.342 18.755 19.000 0.162 0.000 0.794 240 A HN 0.604 nan 8.150 nan 0.000 0.459 241 K N -1.570 119.035 120.400 0.342 0.000 2.393 241 K HA 0.094 4.417 4.320 0.005 0.000 0.193 241 K C 0.621 177.376 176.600 0.258 0.000 1.026 241 K CA 0.567 57.032 56.287 0.298 0.000 1.064 241 K CB 0.126 32.702 32.500 0.126 0.000 0.833 241 K HN 0.608 nan 8.250 nan 0.000 0.521 242 H N -1.579 117.706 119.070 0.358 0.000 3.360 242 H HA 0.195 4.754 4.556 0.005 0.000 0.262 242 H C -0.668 174.632 175.328 -0.046 0.000 1.149 242 H CA -0.017 56.092 56.048 0.102 0.000 1.181 242 H CB 0.751 30.338 29.762 -0.291 0.000 1.564 242 H HN -0.050 nan 8.280 nan 0.000 0.565 243 F N 1.954 122.055 119.950 0.252 0.000 2.536 243 F HA 0.355 4.885 4.527 0.005 0.000 0.322 243 F C 0.146 176.086 175.800 0.234 0.000 1.144 243 F CA -1.156 56.995 58.000 0.253 0.000 0.924 243 F CB 2.014 41.158 39.000 0.240 0.000 1.181 243 F HN -0.232 nan 8.300 nan 0.000 0.438 244 V N 0.393 120.485 119.914 0.298 0.000 3.046 244 V HA 1.021 5.144 4.120 0.005 0.000 0.316 244 V C -0.836 175.388 176.094 0.216 0.000 1.104 244 V CA -1.039 61.389 62.300 0.213 0.000 1.006 244 V CB 1.608 33.465 31.823 0.056 0.000 1.058 244 V HN 0.889 nan 8.190 nan 0.000 0.440 245 A N 2.877 125.810 122.820 0.188 0.000 2.386 245 A HA 0.907 5.230 4.320 0.005 0.000 0.311 245 A C -0.947 176.738 177.584 0.170 0.000 1.068 245 A CA -0.786 51.358 52.037 0.178 0.000 0.743 245 A CB 1.434 20.431 19.000 -0.005 0.000 1.258 245 A HN 1.089 nan 8.150 nan 0.000 0.429 246 L N 1.743 123.085 121.223 0.198 0.000 2.316 246 L HA 0.774 5.117 4.340 0.005 0.000 0.280 246 L C 0.056 177.123 176.870 0.327 0.000 1.006 246 L CA -0.299 54.674 54.840 0.221 0.000 0.836 246 L CB 1.351 43.485 42.059 0.126 0.000 1.221 246 L HN 0.653 nan 8.230 nan 0.000 0.418 247 S N -0.042 115.767 115.700 0.182 0.000 2.611 247 S HA 0.430 4.903 4.470 0.005 0.000 0.268 247 S C 0.441 174.685 174.600 -0.593 0.000 1.156 247 S CA 0.205 58.344 58.200 -0.101 0.000 0.817 247 S CB 1.832 64.956 63.200 -0.127 0.000 1.122 247 S HN 0.732 nan 8.310 nan 0.000 0.466 248 T N -0.512 113.600 114.554 -0.735 0.000 3.022 248 T HA 0.275 4.628 4.350 0.005 0.000 0.250 248 T C 0.352 174.827 174.700 -0.375 0.000 1.060 248 T CA 0.117 61.814 62.100 -0.672 0.000 1.013 248 T CB -0.272 68.182 68.868 -0.689 0.000 0.982 248 T HN 0.321 nan 8.240 nan 0.000 0.508 249 N N 1.904 120.432 118.700 -0.288 0.000 2.949 249 N HA 0.257 5.000 4.740 0.005 0.000 0.243 249 N C 0.805 176.176 175.510 -0.233 0.000 1.113 249 N CA -0.035 52.900 53.050 -0.193 0.000 0.980 249 N CB 0.802 39.239 38.487 -0.085 0.000 1.256 249 N HN 0.186 nan 8.380 nan 0.000 0.508 250 T N 0.734 115.165 114.554 -0.205 0.000 2.699 250 T HA -0.177 4.177 4.350 0.005 0.000 0.268 250 T C 1.802 176.410 174.700 -0.152 0.000 1.036 250 T CA 1.839 63.825 62.100 -0.189 0.000 1.147 250 T CB -0.012 68.773 68.868 -0.139 0.000 0.862 250 T HN 0.573 nan 8.240 nan 0.000 0.446 251 A N 1.689 124.448 122.820 -0.101 0.000 1.877 251 A HA -0.112 4.211 4.320 0.005 0.000 0.216 251 A C 2.324 179.883 177.584 -0.041 0.000 1.186 251 A CA 1.267 53.270 52.037 -0.057 0.000 0.620 251 A CB -0.304 18.677 19.000 -0.030 0.000 0.822 251 A HN 0.236 nan 8.150 nan 0.000 0.443 252 K N -0.288 120.089 120.400 -0.038 0.000 2.155 252 K HA 0.009 4.333 4.320 0.005 0.000 0.203 252 K C 1.962 178.567 176.600 0.008 0.000 1.052 252 K CA 1.030 57.351 56.287 0.056 0.000 0.948 252 K CB -0.521 32.073 32.500 0.157 0.000 0.728 252 K HN 0.355 nan 8.250 nan 0.000 0.448 253 V N 1.553 121.254 119.914 -0.354 0.000 2.343 253 V HA -0.228 3.895 4.120 0.005 0.000 0.247 253 V C 2.503 178.525 176.094 -0.120 0.000 1.051 253 V CA 1.648 63.599 62.300 -0.581 0.000 1.036 253 V CB -0.332 31.064 31.823 -0.712 0.000 0.654 253 V HN 0.323 nan 8.190 nan 0.000 0.451 254 K N -0.133 120.216 120.400 -0.085 0.000 2.057 254 K HA -0.232 4.091 4.320 0.005 0.000 0.207 254 K C 2.257 178.874 176.600 0.028 0.000 1.049 254 K CA 1.795 58.069 56.287 -0.022 0.000 0.931 254 K CB -0.146 32.332 32.500 -0.037 0.000 0.714 254 K HN 0.512 nan 8.250 nan 0.000 0.440 255 E N -0.403 119.829 120.200 0.054 0.000 2.110 255 E HA -0.214 4.139 4.350 0.005 0.000 0.193 255 E C 1.725 178.400 176.600 0.126 0.000 0.988 255 E CA 1.040 57.487 56.400 0.079 0.000 0.804 255 E CB -0.115 29.640 29.700 0.092 0.000 0.745 255 E HN 0.366 nan 8.360 nan 0.000 0.458 256 F N -0.141 119.850 119.950 0.068 0.000 2.293 256 F HA 0.009 4.540 4.527 0.005 0.000 0.300 256 F C 1.226 177.039 175.800 0.023 0.000 1.086 256 F CA 1.482 59.540 58.000 0.096 0.000 1.375 256 F CB 0.380 39.554 39.000 0.290 0.000 1.045 256 F HN 0.139 nan 8.300 nan 0.000 0.516 257 G N 1.444 110.236 108.800 -0.014 0.000 2.145 257 G HA2 -0.213 3.750 3.960 0.005 0.000 0.176 257 G HA3 -0.213 3.750 3.960 0.005 0.000 0.176 257 G C -0.112 174.776 174.900 -0.020 0.000 1.013 257 G CA -0.069 44.964 45.100 -0.111 0.000 0.689 257 G HN 0.335 nan 8.290 nan 0.000 0.506 258 I N 0.752 121.396 120.570 0.123 0.000 2.385 258 I HA 0.280 4.453 4.170 0.005 0.000 0.294 258 I C 0.611 176.772 176.117 0.072 0.000 0.988 258 I CA -0.630 60.763 61.300 0.155 0.000 1.265 258 I CB 1.124 39.278 38.000 0.256 0.000 1.388 258 I HN 0.165 nan 8.210 nan 0.000 0.480 259 D N 8.249 128.701 120.400 0.086 0.000 2.525 259 D HA -0.021 4.622 4.640 0.005 0.000 0.235 259 D C -1.330 174.974 176.300 0.005 0.000 1.137 259 D CA -0.658 53.372 54.000 0.051 0.000 0.868 259 D CB 0.969 41.822 40.800 0.088 0.000 1.180 259 D HN 0.258 nan 8.370 nan 0.000 0.465 260 P HA -0.193 nan 4.420 nan 0.000 0.216 260 P C 0.810 178.057 177.300 -0.088 0.000 1.150 260 P CA 1.233 64.298 63.100 -0.058 0.000 0.837 260 P CB 0.255 31.928 31.700 -0.045 0.000 0.786 261 Q N -1.019 118.745 119.800 -0.060 0.000 2.472 261 Q HA 0.028 4.371 4.340 0.005 0.000 0.208 261 Q C 0.946 176.865 176.000 -0.134 0.000 0.958 261 Q CA 0.551 56.303 55.803 -0.086 0.000 0.932 261 Q CB -0.567 28.159 28.738 -0.020 0.000 1.007 261 Q HN 0.180 nan 8.270 nan 0.000 0.508 262 N N -0.602 118.050 118.700 -0.080 0.000 2.276 262 N HA 0.127 4.870 4.740 0.005 0.000 0.212 262 N C -0.745 174.668 175.510 -0.162 0.000 1.127 262 N CA 0.134 53.152 53.050 -0.054 0.000 0.834 262 N CB 0.401 38.979 38.487 0.152 0.000 1.014 262 N HN 0.242 nan 8.380 nan 0.000 0.491 263 M N 0.634 120.045 119.600 -0.314 0.000 2.205 263 M HA 0.371 4.854 4.480 0.005 0.000 0.344 263 M C -1.430 174.600 176.300 -0.449 0.000 1.085 263 M CA -0.624 54.520 55.300 -0.258 0.000 1.001 263 M CB 0.725 33.199 32.600 -0.211 0.000 1.626 263 M HN -0.166 nan 8.290 nan 0.000 0.442 264 F N 3.298 123.159 119.950 -0.149 0.000 2.361 264 F HA 0.393 4.924 4.527 0.006 0.000 0.364 264 F C 0.103 175.833 175.800 -0.118 0.000 1.117 264 F CA -0.604 57.319 58.000 -0.128 0.000 1.071 264 F CB 0.958 39.871 39.000 -0.145 0.000 1.188 264 F HN 0.523 nan 8.300 nan 0.000 0.464 265 E N 3.828 123.975 120.200 -0.088 0.000 2.313 265 E HA 0.513 4.866 4.350 0.005 0.000 0.272 265 E C -0.656 175.614 176.600 -0.550 0.000 1.038 265 E CA -0.460 55.744 56.400 -0.327 0.000 0.863 265 E CB 1.347 30.796 29.700 -0.419 0.000 1.060 265 E HN 0.538 nan 8.360 nan 0.000 0.402 266 F N -0.806 118.588 119.950 -0.927 0.000 2.814 266 F HA 0.715 5.245 4.527 0.005 0.000 0.353 266 F C -0.916 174.117 175.800 -1.278 0.000 1.177 266 F CA -1.111 56.068 58.000 -1.369 0.000 1.036 266 F CB 1.229 39.917 39.000 -0.520 0.000 1.455 266 F HN 0.302 nan 8.300 nan 0.000 0.520 267 W N 0.858 121.895 121.300 -0.439 0.000 2.902 267 W HA 0.197 4.860 4.660 0.005 0.000 0.346 267 W C 0.026 176.148 176.519 -0.661 0.000 1.139 267 W CA -0.327 56.564 57.345 -0.757 0.000 1.139 267 W CB 1.336 29.966 29.460 -1.383 0.000 1.439 267 W HN 0.709 nan 8.180 nan 0.000 0.558 268 D N -0.709 119.512 120.400 -0.298 0.000 2.263 268 D HA -0.200 4.443 4.640 0.005 0.000 0.208 268 D C 1.487 177.808 176.300 0.035 0.000 0.971 268 D CA 1.189 55.122 54.000 -0.110 0.000 0.867 268 D CB -0.590 40.199 40.800 -0.019 0.000 0.929 268 D HN 0.533 nan 8.370 nan 0.000 0.492 269 W N 0.689 122.103 121.300 0.190 0.000 3.180 269 W HA 0.338 5.001 4.660 0.005 0.000 0.254 269 W C -0.592 176.036 176.519 0.183 0.000 1.318 269 W CA -0.628 56.791 57.345 0.124 0.000 1.608 269 W CB -0.433 29.053 29.460 0.043 0.000 1.124 269 W HN -0.257 nan 8.180 nan 0.000 0.694 270 V N 2.636 122.749 119.914 0.332 0.000 2.334 270 V HA 0.436 4.559 4.120 0.005 0.000 0.267 270 V C 1.029 177.359 176.094 0.392 0.000 1.040 270 V CA -0.644 61.920 62.300 0.441 0.000 0.866 270 V CB 0.235 32.349 31.823 0.485 0.000 1.019 270 V HN 0.132 nan 8.190 nan 0.000 0.468 271 G N 3.301 112.352 108.800 0.419 0.000 2.441 271 G HA2 0.378 4.341 3.960 0.005 0.000 0.243 271 G HA3 0.378 4.341 3.960 0.005 0.000 0.243 271 G C 1.124 176.222 174.900 0.330 0.000 1.281 271 G CA 0.189 45.531 45.100 0.404 0.000 0.854 271 G HN 0.880 nan 8.290 nan 0.000 0.560 272 G N 1.802 110.727 108.800 0.208 0.000 2.476 272 G HA2 -0.275 3.688 3.960 0.005 0.000 0.218 272 G HA3 -0.275 3.688 3.960 0.005 0.000 0.218 272 G C 1.664 176.558 174.900 -0.009 0.000 1.164 272 G CA 0.915 46.078 45.100 0.106 0.000 0.768 272 G HN 0.783 nan 8.290 nan 0.000 0.560 273 R N -0.734 119.705 120.500 -0.101 0.000 2.323 273 R HA 0.128 4.471 4.340 0.005 0.000 0.198 273 R C 0.266 176.230 176.300 -0.560 0.000 0.988 273 R CA 0.478 56.340 56.100 -0.397 0.000 1.041 273 R CB -0.293 29.689 30.300 -0.530 0.000 0.926 273 R HN 0.473 nan 8.270 nan 0.000 0.476 274 Y N 0.517 120.830 120.300 0.022 0.000 2.715 274 Y HA 0.196 4.749 4.550 0.005 0.000 0.255 274 Y C 1.253 177.296 175.900 0.239 0.000 1.139 274 Y CA -0.376 57.778 58.100 0.089 0.000 1.151 274 Y CB 1.211 39.574 38.460 -0.162 0.000 1.201 274 Y HN 0.185 nan 8.280 nan 0.000 0.556 275 S N -0.729 115.066 115.700 0.158 0.000 2.524 275 S HA -0.021 4.452 4.470 0.005 0.000 0.215 275 S C 1.613 176.144 174.600 -0.116 0.000 0.986 275 S CA 0.048 58.268 58.200 0.034 0.000 0.911 275 S CB -0.487 62.633 63.200 -0.133 0.000 0.805 275 S HN 0.445 nan 8.310 nan 0.000 0.501 276 L N -1.356 119.704 121.223 -0.271 0.000 2.265 276 L HA 0.290 4.633 4.340 0.005 0.000 0.215 276 L C 1.790 178.503 176.870 -0.262 0.000 1.117 276 L CA 0.947 55.554 54.840 -0.389 0.000 0.782 276 L CB -1.528 40.172 42.059 -0.600 0.000 0.914 276 L HN 0.367 nan 8.230 nan 0.000 0.441 277 W N 0.786 122.152 121.300 0.110 0.000 2.800 277 W HA 0.208 4.871 4.660 0.005 0.000 0.249 277 W C 1.823 178.489 176.519 0.244 0.000 1.294 277 W CA 0.351 57.775 57.345 0.131 0.000 1.402 277 W CB -0.657 28.862 29.460 0.098 0.000 1.126 277 W HN 0.362 nan 8.180 nan 0.000 0.652 278 S N 0.260 116.152 115.700 0.319 0.000 2.590 278 S HA 0.652 5.125 4.470 0.005 0.000 0.282 278 S C 1.670 176.332 174.600 0.104 0.000 1.136 278 S CA -0.109 58.230 58.200 0.230 0.000 1.030 278 S CB 0.504 63.710 63.200 0.010 0.000 1.195 278 S HN 0.030 nan 8.310 nan 0.000 0.506 279 A N 0.401 123.224 122.820 0.004 0.000 1.997 279 A HA -0.084 4.240 4.320 0.005 0.000 0.221 279 A C 2.080 179.541 177.584 -0.205 0.000 1.172 279 A CA 1.626 53.630 52.037 -0.056 0.000 0.645 279 A CB -1.244 17.797 19.000 0.068 0.000 0.813 279 A HN 0.731 nan 8.150 nan 0.000 0.454 280 I N -0.143 120.216 120.570 -0.352 0.000 2.423 280 I HA -0.210 3.963 4.170 0.005 0.000 0.254 280 I C 2.316 178.311 176.117 -0.203 0.000 1.151 280 I CA 1.518 62.636 61.300 -0.304 0.000 1.421 280 I CB -1.651 36.098 38.000 -0.418 0.000 1.079 280 I HN 0.391 nan 8.210 nan 0.000 0.431 281 G N 0.253 108.949 108.800 -0.172 0.000 3.124 281 G HA2 -0.040 3.923 3.960 0.005 0.000 0.212 281 G HA3 -0.040 3.923 3.960 0.005 0.000 0.212 281 G C 1.569 176.210 174.900 -0.432 0.000 1.181 281 G CA -0.173 44.812 45.100 -0.191 0.000 0.803 281 G HN 0.262 nan 8.290 nan 0.000 0.529 282 L N 2.025 123.016 121.223 -0.386 0.000 2.043 282 L HA -0.157 4.186 4.340 0.005 0.000 0.212 282 L C 3.060 179.752 176.870 -0.297 0.000 1.075 282 L CA 2.632 57.215 54.840 -0.428 0.000 0.752 282 L CB -0.606 41.128 42.059 -0.542 0.000 0.891 282 L HN 0.314 nan 8.230 nan 0.000 0.432 283 S N -1.047 114.529 115.700 -0.207 0.000 2.399 283 S HA -0.188 4.285 4.470 0.005 0.000 0.231 283 S C 2.032 176.603 174.600 -0.048 0.000 1.022 283 S CA 1.472 59.594 58.200 -0.130 0.000 0.983 283 S CB -1.008 62.117 63.200 -0.126 0.000 0.803 283 S HN 0.532 nan 8.310 nan 0.000 0.480 284 I N 2.353 122.883 120.570 -0.067 0.000 2.142 284 I HA -0.126 4.047 4.170 0.005 0.000 0.240 284 I C 3.124 179.236 176.117 -0.009 0.000 1.078 284 I CA 1.237 62.542 61.300 0.009 0.000 1.343 284 I CB -0.749 37.274 38.000 0.039 0.000 1.046 284 I HN 0.420 nan 8.210 nan 0.000 0.405 285 A N 0.836 123.514 122.820 -0.237 0.000 1.933 285 A HA -0.147 4.176 4.320 0.005 0.000 0.218 285 A C 2.311 179.895 177.584 0.000 0.000 1.175 285 A CA 1.404 53.349 52.037 -0.153 0.000 0.628 285 A CB -0.856 17.935 19.000 -0.348 0.000 0.814 285 A HN 0.380 nan 8.150 nan 0.000 0.444 286 L N -1.783 119.421 121.223 -0.032 0.000 2.046 286 L HA -0.199 4.144 4.340 0.005 0.000 0.208 286 L C 2.666 179.570 176.870 0.058 0.000 1.077 286 L CA 1.767 56.602 54.840 -0.007 0.000 0.747 286 L CB -0.514 41.515 42.059 -0.050 0.000 0.896 286 L HN 0.584 nan 8.230 nan 0.000 0.432 287 H N -0.397 118.658 119.070 -0.025 0.000 2.343 287 H HA -0.081 4.478 4.556 0.005 0.000 0.303 287 H C 1.806 177.164 175.328 0.049 0.000 1.068 287 H CA 1.853 57.901 56.048 0.000 0.000 1.359 287 H CB 0.196 29.961 29.762 0.005 0.000 1.402 287 H HN 0.166 nan 8.280 nan 0.000 0.515 288 V N -2.870 117.085 119.914 0.068 0.000 3.621 288 V HA 0.486 4.609 4.120 0.005 0.000 0.285 288 V C 0.858 177.083 176.094 0.219 0.000 1.346 288 V CA 0.442 62.809 62.300 0.110 0.000 1.104 288 V CB -0.317 31.594 31.823 0.147 0.000 0.913 288 V HN 0.681 nan 8.190 nan 0.000 0.432 289 G N -0.129 108.752 108.800 0.135 0.000 2.719 289 G HA2 -0.218 3.745 3.960 0.005 0.000 0.686 289 G HA3 -0.218 3.745 3.960 0.005 0.000 0.686 289 G C -0.407 174.596 174.900 0.172 0.000 1.201 289 G CA -0.039 45.134 45.100 0.121 0.000 0.768 289 G HN 0.371 nan 8.290 nan 0.000 0.629 290 F N 0.902 120.886 119.950 0.057 0.000 2.171 290 F HA -0.020 4.511 4.527 0.006 0.000 0.300 290 F C 2.333 178.220 175.800 0.145 0.000 1.090 290 F CA 2.384 60.459 58.000 0.126 0.000 1.293 290 F CB 0.088 39.148 39.000 0.099 0.000 1.013 290 F HN 0.541 nan 8.300 nan 0.000 0.486 291 D N -0.659 119.801 120.400 0.100 0.000 2.104 291 D HA -0.228 4.415 4.640 0.005 0.000 0.194 291 D C 2.081 178.335 176.300 -0.078 0.000 0.994 291 D CA 1.983 55.963 54.000 -0.033 0.000 0.830 291 D CB -0.704 40.023 40.800 -0.123 0.000 0.959 291 D HN 0.480 nan 8.370 nan 0.000 0.452 292 H N -1.313 117.756 119.070 -0.003 0.000 2.389 292 H HA -0.068 4.491 4.556 0.006 0.000 0.299 292 H C 1.820 177.113 175.328 -0.058 0.000 1.081 292 H CA 0.638 56.652 56.048 -0.056 0.000 1.345 292 H CB -0.047 29.684 29.762 -0.051 0.000 1.393 292 H HN 0.060 nan 8.280 nan 0.000 0.520 293 F N 1.963 121.855 119.950 -0.097 0.000 2.134 293 F HA -0.167 4.363 4.527 0.005 0.000 0.299 293 F C 2.060 177.714 175.800 -0.244 0.000 1.097 293 F CA 1.436 59.315 58.000 -0.201 0.000 1.264 293 F CB -0.088 38.726 39.000 -0.309 0.000 1.001 293 F HN 0.109 nan 8.300 nan 0.000 0.479 294 E N -0.391 119.592 120.200 -0.362 0.000 2.110 294 E HA -0.263 4.090 4.350 0.005 0.000 0.193 294 E C 2.137 178.636 176.600 -0.167 0.000 0.988 294 E CA 1.421 57.632 56.400 -0.315 0.000 0.804 294 E CB -0.234 29.348 29.700 -0.197 0.000 0.745 294 E HN 0.614 nan 8.360 nan 0.000 0.458 295 Q N 0.359 120.105 119.800 -0.091 0.000 2.079 295 Q HA -0.158 4.185 4.340 0.005 0.000 0.200 295 Q C 2.318 178.297 176.000 -0.035 0.000 0.974 295 Q CA 0.852 56.657 55.803 0.004 0.000 0.840 295 Q CB -0.121 28.636 28.738 0.032 0.000 0.898 295 Q HN 0.181 nan 8.270 nan 0.000 0.430 296 L N 0.710 121.862 121.223 -0.118 0.000 2.012 296 L HA -0.204 4.139 4.340 0.005 0.000 0.210 296 L C 1.945 178.782 176.870 -0.056 0.000 1.073 296 L CA 1.670 56.443 54.840 -0.111 0.000 0.748 296 L CB -0.388 41.575 42.059 -0.159 0.000 0.891 296 L HN 0.203 nan 8.230 nan 0.000 0.431 297 L N -1.214 119.898 121.223 -0.184 0.000 2.042 297 L HA -0.217 4.126 4.340 0.005 0.000 0.210 297 L C 2.495 179.305 176.870 -0.100 0.000 1.076 297 L CA 1.447 56.214 54.840 -0.122 0.000 0.749 297 L CB -0.765 41.157 42.059 -0.229 0.000 0.893 297 L HN 0.250 nan 8.230 nan 0.000 0.432 298 S N 0.006 115.663 115.700 -0.071 0.000 2.382 298 S HA -0.114 4.359 4.470 0.005 0.000 0.228 298 S C 2.027 176.525 174.600 -0.171 0.000 1.027 298 S CA 1.166 59.394 58.200 0.046 0.000 0.991 298 S CB -0.519 62.806 63.200 0.209 0.000 0.823 298 S HN 0.618 nan 8.310 nan 0.000 0.469 299 G N 1.402 109.777 108.800 -0.709 0.000 2.418 299 G HA2 -0.051 3.913 3.960 0.005 0.000 0.217 299 G HA3 -0.051 3.913 3.960 0.005 0.000 0.217 299 G C 1.580 176.218 174.900 -0.438 0.000 1.158 299 G CA 0.851 45.151 45.100 -1.334 0.000 0.771 299 G HN 0.565 nan 8.290 nan 0.000 0.545 300 A N 0.448 123.111 122.820 -0.262 0.000 1.908 300 A HA -0.151 4.172 4.320 0.005 0.000 0.218 300 A C 2.129 179.655 177.584 -0.097 0.000 1.181 300 A CA 2.206 54.086 52.037 -0.262 0.000 0.627 300 A CB -0.826 17.724 19.000 -0.750 0.000 0.818 300 A HN 0.518 nan 8.150 nan 0.000 0.445 301 H N -2.279 116.712 119.070 -0.132 0.000 2.353 301 H HA -0.201 4.358 4.556 0.005 0.000 0.300 301 H C 1.751 177.130 175.328 0.085 0.000 1.090 301 H CA 2.067 58.103 56.048 -0.019 0.000 1.327 301 H CB -0.485 29.279 29.762 0.003 0.000 1.383 301 H HN 0.684 nan 8.280 nan 0.000 0.508 302 W N 0.147 121.400 121.300 -0.079 0.000 2.335 302 W HA -0.283 4.380 4.660 0.005 0.000 0.311 302 W C 2.360 178.872 176.519 -0.011 0.000 1.213 302 W CA 2.034 59.360 57.345 -0.031 0.000 1.274 302 W CB -0.294 29.230 29.460 0.107 0.000 1.148 302 W HN 0.300 nan 8.180 nan 0.000 0.498 303 M N 0.881 120.691 119.600 0.351 0.000 2.229 303 M HA -0.152 4.331 4.480 0.005 0.000 0.264 303 M C 1.371 177.811 176.300 0.233 0.000 1.063 303 M CA 1.980 57.474 55.300 0.324 0.000 1.114 303 M CB -0.802 31.979 32.600 0.302 0.000 1.387 303 M HN -0.132 nan 8.290 nan 0.000 0.420 304 D N -0.272 120.242 120.400 0.190 0.000 2.123 304 D HA -0.183 4.460 4.640 0.005 0.000 0.196 304 D C 1.993 178.329 176.300 0.061 0.000 0.992 304 D CA 1.170 55.356 54.000 0.310 0.000 0.833 304 D CB -0.303 40.664 40.800 0.279 0.000 0.954 304 D HN 0.426 nan 8.370 nan 0.000 0.455 305 Q N -0.242 119.428 119.800 -0.218 0.000 2.119 305 Q HA -0.142 4.201 4.340 0.005 0.000 0.201 305 Q C 2.087 177.847 176.000 -0.400 0.000 0.972 305 Q CA 0.975 56.550 55.803 -0.380 0.000 0.847 305 Q CB -0.552 27.883 28.738 -0.505 0.000 0.903 305 Q HN 0.564 nan 8.270 nan 0.000 0.433 306 H N 0.085 118.836 119.070 -0.531 0.000 2.319 306 H HA -0.160 4.399 4.556 0.005 0.000 0.299 306 H C 1.730 176.953 175.328 -0.175 0.000 1.092 306 H CA 1.752 57.535 56.048 -0.443 0.000 1.302 306 H CB -0.313 29.156 29.762 -0.487 0.000 1.373 306 H HN 0.167 nan 8.280 nan 0.000 0.497 307 F N 0.275 120.082 119.950 -0.239 0.000 2.134 307 F HA -0.126 4.404 4.527 0.006 0.000 0.299 307 F C 2.126 177.665 175.800 -0.434 0.000 1.097 307 F CA 1.257 59.091 58.000 -0.276 0.000 1.264 307 F CB -0.789 38.073 39.000 -0.231 0.000 1.001 307 F HN 0.330 nan 8.300 nan 0.000 0.479 308 L N 0.493 121.312 121.223 -0.673 0.000 2.072 308 L HA -0.098 4.245 4.340 0.005 0.000 0.205 308 L C 2.063 178.556 176.870 -0.629 0.000 1.079 308 L CA 1.861 56.148 54.840 -0.920 0.000 0.752 308 L CB -0.645 40.784 42.059 -1.050 0.000 0.906 308 L HN 0.035 nan 8.230 nan 0.000 0.436 309 K N -1.747 118.356 120.400 -0.495 0.000 2.352 309 K HA 0.167 4.490 4.320 0.005 0.000 0.194 309 K C 0.151 176.546 176.600 -0.343 0.000 1.038 309 K CA 0.140 56.199 56.287 -0.381 0.000 1.023 309 K CB 0.285 32.591 32.500 -0.324 0.000 0.840 309 K HN 0.218 nan 8.250 nan 0.000 0.519 310 T N 3.792 118.101 114.554 -0.409 0.000 2.817 310 T HA 0.214 4.567 4.350 0.005 0.000 0.293 310 T C -2.572 171.964 174.700 -0.273 0.000 0.964 310 T CA -1.569 60.315 62.100 -0.360 0.000 1.085 310 T CB 1.352 69.879 68.868 -0.569 0.000 0.921 310 T HN -0.109 nan 8.240 nan 0.000 0.502 311 P HA 0.089 nan 4.420 nan 0.000 0.265 311 P C 1.061 178.279 177.300 -0.138 0.000 1.187 311 P CA -0.088 62.919 63.100 -0.155 0.000 0.766 311 P CB 0.462 32.090 31.700 -0.120 0.000 0.820 312 L N 2.384 123.533 121.223 -0.123 0.000 2.081 312 L HA -0.211 4.133 4.340 0.005 0.000 0.212 312 L C 2.243 179.061 176.870 -0.086 0.000 1.080 312 L CA 1.666 56.448 54.840 -0.097 0.000 0.754 312 L CB -0.803 41.203 42.059 -0.088 0.000 0.893 312 L HN 0.555 nan 8.230 nan 0.000 0.433 313 E N 2.101 122.246 120.200 -0.091 0.000 2.409 313 E HA -0.222 4.131 4.350 0.005 0.000 0.198 313 E C 0.950 177.509 176.600 -0.067 0.000 1.024 313 E CA 1.124 57.469 56.400 -0.091 0.000 0.861 313 E CB -0.095 29.547 29.700 -0.097 0.000 0.788 313 E HN 0.668 nan 8.360 nan 0.000 0.521 314 K N 0.217 120.589 120.400 -0.047 0.000 2.706 314 K HA 0.248 4.571 4.320 0.005 0.000 0.203 314 K C 0.165 176.798 176.600 0.054 0.000 1.102 314 K CA -0.560 55.734 56.287 0.011 0.000 1.058 314 K CB 0.138 32.647 32.500 0.014 0.000 0.779 314 K HN -0.190 nan 8.250 nan 0.000 0.483 315 N N 1.694 120.400 118.700 0.010 0.000 2.439 315 N HA 0.201 4.944 4.740 0.005 0.000 0.249 315 N C 0.702 176.323 175.510 0.186 0.000 1.003 315 N CA 0.136 53.209 53.050 0.038 0.000 0.942 315 N CB 1.625 40.087 38.487 -0.042 0.000 1.115 315 N HN 0.298 nan 8.380 nan 0.000 0.505 316 A N 6.986 130.077 122.820 0.452 0.000 1.859 316 A HA -0.095 4.228 4.320 0.005 0.000 0.217 316 A C -0.567 177.068 177.584 0.086 0.000 1.198 316 A CA 1.442 53.610 52.037 0.218 0.000 0.629 316 A CB -1.353 17.741 19.000 0.157 0.000 0.830 316 A HN 0.633 nan 8.150 nan 0.000 0.446 317 P HA -0.084 nan 4.420 nan 0.000 0.218 317 P C 1.606 178.902 177.300 -0.007 0.000 1.149 317 P CA 1.491 64.580 63.100 -0.019 0.000 0.817 317 P CB -0.287 31.350 31.700 -0.105 0.000 0.785 318 V N 0.349 120.308 119.914 0.073 0.000 2.358 318 V HA -0.206 3.917 4.120 0.005 0.000 0.246 318 V C 2.789 178.853 176.094 -0.049 0.000 1.047 318 V CA 1.521 63.850 62.300 0.049 0.000 1.035 318 V CB -1.248 30.624 31.823 0.083 0.000 0.658 318 V HN 0.015 nan 8.190 nan 0.000 0.452 319 L N -0.721 120.446 121.223 -0.093 0.000 2.046 319 L HA -0.167 4.176 4.340 0.005 0.000 0.208 319 L C 2.441 179.202 176.870 -0.182 0.000 1.077 319 L CA 1.467 56.175 54.840 -0.220 0.000 0.747 319 L CB -0.576 41.237 42.059 -0.411 0.000 0.896 319 L HN 0.304 nan 8.230 nan 0.000 0.432 320 L N -0.264 120.891 121.223 -0.114 0.000 2.046 320 L HA -0.199 4.144 4.340 0.005 0.000 0.208 320 L C 2.911 179.765 176.870 -0.027 0.000 1.077 320 L CA 1.170 55.981 54.840 -0.047 0.000 0.747 320 L CB -0.751 41.261 42.059 -0.078 0.000 0.896 320 L HN 0.243 nan 8.230 nan 0.000 0.432 321 A N 0.131 122.915 122.820 -0.060 0.000 1.902 321 A HA -0.162 4.161 4.320 0.005 0.000 0.217 321 A C 2.256 179.796 177.584 -0.073 0.000 1.181 321 A CA 1.445 53.435 52.037 -0.079 0.000 0.623 321 A CB -0.659 18.280 19.000 -0.101 0.000 0.818 321 A HN 0.356 nan 8.150 nan 0.000 0.443 322 L N -0.795 120.385 121.223 -0.071 0.000 2.093 322 L HA -0.141 4.202 4.340 0.005 0.000 0.208 322 L C 2.528 179.399 176.870 0.002 0.000 1.085 322 L CA 0.865 55.670 54.840 -0.058 0.000 0.755 322 L CB -0.500 41.498 42.059 -0.101 0.000 0.904 322 L HN 0.364 nan 8.230 nan 0.000 0.435 323 L N -0.488 120.737 121.223 0.004 0.000 2.083 323 L HA -0.152 4.192 4.340 0.005 0.000 0.209 323 L C 2.669 179.650 176.870 0.184 0.000 1.083 323 L CA 1.415 56.298 54.840 0.072 0.000 0.752 323 L CB -1.134 41.023 42.059 0.163 0.000 0.899 323 L HN 0.308 nan 8.230 nan 0.000 0.433 324 G N 0.341 109.267 108.800 0.208 0.000 2.421 324 G HA2 -0.224 3.739 3.960 0.005 0.000 0.216 324 G HA3 -0.224 3.739 3.960 0.005 0.000 0.216 324 G C 1.523 176.599 174.900 0.294 0.000 1.171 324 G CA 0.569 45.833 45.100 0.274 0.000 0.775 324 G HN 0.164 nan 8.290 nan 0.000 0.543 325 I N -0.057 120.627 120.570 0.190 0.000 2.163 325 I HA -0.183 3.990 4.170 0.005 0.000 0.243 325 I C 2.444 178.763 176.117 0.337 0.000 1.085 325 I CA 1.047 62.495 61.300 0.247 0.000 1.347 325 I CB -1.132 36.926 38.000 0.096 0.000 1.044 325 I HN 0.489 nan 8.210 nan 0.000 0.408 326 W N 1.359 122.678 121.300 0.032 0.000 2.335 326 W HA -0.311 4.352 4.660 0.004 0.000 0.311 326 W C 2.527 179.109 176.519 0.105 0.000 1.213 326 W CA 1.454 58.783 57.345 -0.025 0.000 1.274 326 W CB -0.408 28.919 29.460 -0.223 0.000 1.148 326 W HN 0.097 nan 8.180 nan 0.000 0.498 327 Y N 0.295 120.784 120.300 0.315 0.000 2.314 327 Y HA -0.107 4.448 4.550 0.008 0.000 0.293 327 Y C 2.422 178.438 175.900 0.194 0.000 1.129 327 Y CA 1.308 59.528 58.100 0.199 0.000 1.201 327 Y CB -1.075 37.502 38.460 0.195 0.000 0.999 327 Y HN -0.095 nan 8.280 nan 0.000 0.541 328 I N -0.241 120.555 120.570 0.377 0.000 2.235 328 I HA -0.242 3.931 4.170 0.005 0.000 0.241 328 I C 1.305 177.566 176.117 0.240 0.000 1.085 328 I CA 1.563 63.052 61.300 0.316 0.000 1.378 328 I CB -0.254 37.993 38.000 0.411 0.000 1.076 328 I HN 0.134 nan 8.210 nan 0.000 0.415 329 N N -1.200 117.666 118.700 0.278 0.000 2.373 329 N HA 0.024 4.767 4.740 0.005 0.000 0.181 329 N C 1.351 176.933 175.510 0.122 0.000 1.082 329 N CA 0.295 53.514 53.050 0.282 0.000 0.885 329 N CB 0.346 39.117 38.487 0.473 0.000 0.977 329 N HN 0.300 nan 8.380 nan 0.000 0.462 330 C N -1.307 117.917 119.300 -0.125 0.000 2.406 330 C HA 0.213 4.676 4.460 0.005 0.000 0.343 330 C C 1.801 176.257 174.990 -0.889 0.000 1.397 330 C CA -0.179 58.429 59.018 -0.684 0.000 2.069 330 C CB -0.799 26.285 27.740 -1.092 0.000 2.374 330 C HN 0.415 nan 8.230 nan 0.000 0.545 331 Y N 1.241 121.259 120.300 -0.470 0.000 2.490 331 Y HA 0.255 4.809 4.550 0.007 0.000 0.285 331 Y C 2.118 178.007 175.900 -0.017 0.000 1.117 331 Y CA 1.236 59.247 58.100 -0.149 0.000 1.262 331 Y CB -0.208 38.265 38.460 0.021 0.000 1.043 331 Y HN 0.441 nan 8.280 nan 0.000 0.553 332 G N -0.242 108.637 108.800 0.132 0.000 2.160 332 G HA2 -0.293 3.670 3.960 0.005 0.000 0.244 332 G HA3 -0.293 3.670 3.960 0.005 0.000 0.244 332 G C -0.203 174.777 174.900 0.133 0.000 1.022 332 G CA -0.075 45.094 45.100 0.114 0.000 0.741 332 G HN 0.285 nan 8.290 nan 0.000 0.508 333 C N 0.689 120.097 119.300 0.179 0.000 2.627 333 C HA 0.316 4.779 4.460 0.005 0.000 0.404 333 C C 1.846 176.923 174.990 0.146 0.000 1.340 333 C CA -0.049 59.061 59.018 0.154 0.000 1.758 333 C CB 0.309 28.149 27.740 0.167 0.000 2.501 333 C HN 0.627 nan 8.230 nan 0.000 0.588 334 E N 0.680 120.944 120.200 0.106 0.000 2.216 334 E HA -0.071 4.282 4.350 0.005 0.000 0.192 334 E C 1.157 177.835 176.600 0.130 0.000 0.988 334 E CA 0.942 57.393 56.400 0.086 0.000 0.834 334 E CB 0.284 30.006 29.700 0.037 0.000 0.772 334 E HN 0.894 nan 8.360 nan 0.000 0.479 335 T N -2.227 112.435 114.554 0.180 0.000 2.930 335 T HA 0.432 4.785 4.350 0.005 0.000 0.290 335 T C -1.051 173.854 174.700 0.341 0.000 1.052 335 T CA -0.897 61.374 62.100 0.285 0.000 1.017 335 T CB 2.142 71.228 68.868 0.363 0.000 1.137 335 T HN 0.041 nan 8.240 nan 0.000 0.511 336 H N -0.026 119.184 119.070 0.235 0.000 2.840 336 H HA 0.656 5.217 4.556 0.008 0.000 0.340 336 H C -0.806 174.452 175.328 -0.116 0.000 1.004 336 H CA -0.214 55.892 56.048 0.096 0.000 1.288 336 H CB 1.232 31.068 29.762 0.123 0.000 1.607 336 H HN 1.067 nan 8.280 nan 0.000 0.522 337 A N 5.759 128.187 122.820 -0.653 0.000 2.290 337 A HA 0.544 4.867 4.320 0.005 0.000 0.310 337 A C -0.940 176.257 177.584 -0.646 0.000 1.202 337 A CA -0.701 50.752 52.037 -0.974 0.000 0.837 337 A CB 0.394 18.658 19.000 -1.226 0.000 1.139 337 A HN 0.700 nan 8.150 nan 0.000 0.509 338 L N 3.238 124.207 121.223 -0.425 0.000 2.298 338 L HA 0.433 4.776 4.340 0.005 0.000 0.284 338 L C -0.878 175.917 176.870 -0.125 0.000 1.013 338 L CA -0.137 54.614 54.840 -0.149 0.000 0.824 338 L CB 1.158 43.238 42.059 0.035 0.000 1.221 338 L HN 0.611 nan 8.230 nan 0.000 0.418 339 L N 5.837 126.989 121.223 -0.119 0.000 2.457 339 L HA 0.378 4.721 4.340 0.005 0.000 0.252 339 L C -2.361 174.588 176.870 0.132 0.000 1.132 339 L CA -1.606 53.174 54.840 -0.100 0.000 0.938 339 L CB 1.145 42.943 42.059 -0.435 0.000 1.246 339 L HN 0.333 nan 8.230 nan 0.000 0.476 340 P HA 0.065 nan 4.420 nan 0.000 0.282 340 P C -0.889 176.573 177.300 0.271 0.000 1.262 340 P CA -0.159 63.091 63.100 0.249 0.000 0.773 340 P CB 0.598 32.370 31.700 0.120 0.000 0.879 341 Y N 2.224 122.635 120.300 0.186 0.000 2.735 341 Y HA 0.318 4.866 4.550 -0.003 0.000 0.354 341 Y C 0.269 176.237 175.900 0.113 0.000 1.288 341 Y CA 0.230 58.430 58.100 0.167 0.000 1.836 341 Y CB -0.298 38.312 38.460 0.250 0.000 1.920 341 Y HN 0.389 nan 8.280 nan 0.000 0.438 342 D N -0.445 120.048 120.400 0.155 0.000 2.484 342 D HA 0.072 4.715 4.640 0.005 0.000 0.206 342 D C 0.528 176.893 176.300 0.108 0.000 1.322 342 D CA -0.238 53.853 54.000 0.153 0.000 0.913 342 D CB 1.006 41.934 40.800 0.214 0.000 1.559 342 D HN 0.030 nan 8.370 nan 0.000 0.565 343 Q N 2.085 121.894 119.800 0.015 0.000 2.124 343 Q HA -0.107 4.236 4.340 0.005 0.000 0.202 343 Q C 0.918 176.957 176.000 0.065 0.000 0.977 343 Q CA 1.718 57.493 55.803 -0.046 0.000 0.850 343 Q CB -0.168 28.445 28.738 -0.209 0.000 0.901 343 Q HN 0.775 nan 8.270 nan 0.000 0.429 344 Y N -1.072 119.311 120.300 0.138 0.000 2.333 344 Y HA -0.132 4.422 4.550 0.007 0.000 0.290 344 Y C 1.463 177.486 175.900 0.205 0.000 1.144 344 Y CA 0.562 58.768 58.100 0.176 0.000 1.228 344 Y CB 0.060 38.603 38.460 0.139 0.000 0.985 344 Y HN 0.124 nan 8.280 nan 0.000 0.542 345 M N 0.135 119.923 119.600 0.313 0.000 2.571 345 M HA 0.005 4.488 4.480 0.005 0.000 0.235 345 M C 1.242 177.675 176.300 0.222 0.000 1.216 345 M CA 0.218 55.648 55.300 0.215 0.000 0.979 345 M CB -0.368 32.294 32.600 0.105 0.000 1.616 345 M HN 0.448 nan 8.290 nan 0.000 0.469 346 H N -1.334 117.812 119.070 0.127 0.000 2.518 346 H HA 0.027 4.585 4.556 0.005 0.000 0.289 346 H C 1.465 176.856 175.328 0.106 0.000 1.051 346 H CA 0.870 56.978 56.048 0.099 0.000 1.280 346 H CB 0.097 29.892 29.762 0.056 0.000 1.380 346 H HN 0.096 nan 8.280 nan 0.000 0.566 347 R N -0.416 119.891 120.500 -0.321 0.000 2.432 347 R HA 0.102 4.445 4.340 0.005 0.000 0.260 347 R C 0.799 177.085 176.300 -0.023 0.000 0.935 347 R CA -0.240 55.714 56.100 -0.243 0.000 1.080 347 R CB -0.849 29.210 30.300 -0.401 0.000 1.155 347 R HN 0.365 nan 8.270 nan 0.000 0.531 348 F N 1.604 121.521 119.950 -0.055 0.000 2.113 348 F HA -0.121 4.408 4.527 0.005 0.000 0.297 348 F C 2.100 177.972 175.800 0.121 0.000 1.103 348 F CA 1.618 59.639 58.000 0.036 0.000 1.248 348 F CB -0.036 39.016 39.000 0.087 0.000 0.999 348 F HN 0.097 nan 8.300 nan 0.000 0.475 349 A N 0.179 123.121 122.820 0.203 0.000 1.902 349 A HA -0.067 4.256 4.320 0.005 0.000 0.217 349 A C 2.376 179.977 177.584 0.029 0.000 1.181 349 A CA 1.707 53.807 52.037 0.104 0.000 0.623 349 A CB -1.535 17.526 19.000 0.102 0.000 0.818 349 A HN 0.461 nan 8.150 nan 0.000 0.443 350 A N -1.530 121.294 122.820 0.008 0.000 1.933 350 A HA -0.118 4.205 4.320 0.005 0.000 0.218 350 A C 2.120 179.638 177.584 -0.110 0.000 1.175 350 A CA 1.678 53.692 52.037 -0.039 0.000 0.628 350 A CB -0.786 18.186 19.000 -0.046 0.000 0.814 350 A HN 0.740 nan 8.150 nan 0.000 0.444 351 Y N -0.753 119.369 120.300 -0.298 0.000 2.145 351 Y HA -0.188 4.364 4.550 0.004 0.000 0.286 351 Y C 1.805 177.363 175.900 -0.570 0.000 1.145 351 Y CA 1.957 59.763 58.100 -0.491 0.000 1.148 351 Y CB -0.429 37.621 38.460 -0.684 0.000 0.981 351 Y HN 0.278 nan 8.280 nan 0.000 0.507 352 F N 0.351 120.107 119.950 -0.324 0.000 2.661 352 F HA -0.104 4.425 4.527 0.004 0.000 0.298 352 F C 2.299 177.946 175.800 -0.255 0.000 1.137 352 F CA 0.704 58.484 58.000 -0.367 0.000 1.454 352 F CB -0.217 38.551 39.000 -0.386 0.000 1.103 352 F HN 0.139 nan 8.300 nan 0.000 0.577 353 Q N 0.081 119.838 119.800 -0.071 0.000 2.061 353 Q HA -0.305 4.038 4.340 0.005 0.000 0.204 353 Q C 2.245 178.170 176.000 -0.125 0.000 0.984 353 Q CA 1.970 57.740 55.803 -0.055 0.000 0.846 353 Q CB -0.286 28.428 28.738 -0.040 0.000 0.902 353 Q HN 0.521 nan 8.270 nan 0.000 0.421 354 Q N -0.374 119.275 119.800 -0.253 0.000 2.020 354 Q HA -0.126 4.217 4.340 0.005 0.000 0.198 354 Q C 2.102 177.904 176.000 -0.331 0.000 0.974 354 Q CA 1.402 57.030 55.803 -0.291 0.000 0.829 354 Q CB -0.294 28.225 28.738 -0.365 0.000 0.894 354 Q HN 0.430 nan 8.270 nan 0.000 0.433 355 G N 0.831 109.323 108.800 -0.514 0.000 2.469 355 G HA2 -0.313 3.651 3.960 0.005 0.000 0.219 355 G HA3 -0.313 3.651 3.960 0.005 0.000 0.219 355 G C 1.221 176.059 174.900 -0.103 0.000 1.150 355 G CA 1.219 46.052 45.100 -0.445 0.000 0.763 355 G HN 0.414 nan 8.290 nan 0.000 0.561 356 D N -0.062 120.348 120.400 0.016 0.000 2.214 356 D HA 0.054 4.697 4.640 0.005 0.000 0.217 356 D C 2.768 179.097 176.300 0.048 0.000 0.973 356 D CA 0.534 54.582 54.000 0.080 0.000 0.880 356 D CB -0.082 40.781 40.800 0.104 0.000 1.031 356 D HN 0.292 nan 8.370 nan 0.000 0.468 357 M N 0.303 119.911 119.600 0.014 0.000 2.200 357 M HA -0.028 4.455 4.480 0.005 0.000 0.265 357 M C 2.148 178.445 176.300 -0.006 0.000 1.066 357 M CA 0.954 56.262 55.300 0.014 0.000 1.127 357 M CB -0.093 32.511 32.600 0.006 0.000 1.379 357 M HN -0.026 nan 8.290 nan 0.000 0.420 358 E N 0.011 120.185 120.200 -0.042 0.000 2.208 358 E HA -0.103 4.250 4.350 0.005 0.000 0.193 358 E C 1.817 178.407 176.600 -0.017 0.000 0.988 358 E CA 0.960 57.335 56.400 -0.042 0.000 0.828 358 E CB 0.282 29.933 29.700 -0.081 0.000 0.763 358 E HN 0.376 nan 8.360 nan 0.000 0.478 359 S N 0.851 116.545 115.700 -0.011 0.000 2.335 359 S HA -0.036 4.437 4.470 0.005 0.000 0.217 359 S C 1.322 175.939 174.600 0.028 0.000 1.032 359 S CA 0.972 59.175 58.200 0.005 0.000 0.985 359 S CB -0.022 63.200 63.200 0.037 0.000 0.896 359 S HN 0.265 nan 8.310 nan 0.000 0.445 360 N N 0.641 119.390 118.700 0.082 0.000 2.203 360 N HA 0.185 4.928 4.740 0.005 0.000 0.207 360 N C 0.361 175.916 175.510 0.076 0.000 1.130 360 N CA 0.025 53.166 53.050 0.152 0.000 0.861 360 N CB 0.520 39.212 38.487 0.343 0.000 1.005 360 N HN 0.304 nan 8.380 nan 0.000 0.507 361 G N 1.038 109.863 108.800 0.042 0.000 3.101 361 G HA2 0.153 4.116 3.960 0.005 0.000 0.272 361 G HA3 0.153 4.116 3.960 0.005 0.000 0.272 361 G C 0.174 175.100 174.900 0.043 0.000 0.801 361 G CA -0.024 45.084 45.100 0.012 0.000 1.978 361 G HN -0.136 nan 8.290 nan 0.000 0.591 362 K N 0.461 120.891 120.400 0.051 0.000 2.482 362 K HA 0.328 4.651 4.320 0.005 0.000 0.257 362 K C -0.543 176.150 176.600 0.154 0.000 0.969 362 K CA -0.966 55.398 56.287 0.129 0.000 0.842 362 K CB 2.051 34.619 32.500 0.113 0.000 1.359 362 K HN 0.451 nan 8.250 nan 0.000 0.441 363 Y N -1.206 119.076 120.300 -0.030 0.000 2.666 363 Y HA 0.420 4.973 4.550 0.005 0.000 0.260 363 Y C -0.293 175.582 175.900 -0.042 0.000 1.089 363 Y CA -0.569 57.486 58.100 -0.075 0.000 1.246 363 Y CB 0.849 39.261 38.460 -0.082 0.000 1.353 363 Y HN 0.157 nan 8.280 nan 0.000 0.558 364 I N 3.167 123.552 120.570 -0.309 0.000 2.378 364 I HA 0.289 4.462 4.170 0.005 0.000 0.291 364 I C 0.528 176.625 176.117 -0.033 0.000 0.992 364 I CA -0.705 60.428 61.300 -0.279 0.000 1.154 364 I CB 1.580 39.384 38.000 -0.328 0.000 1.315 364 I HN 0.324 nan 8.210 nan 0.000 0.448 365 T N 1.894 116.443 114.554 -0.008 0.000 2.824 365 T HA 0.267 4.620 4.350 0.005 0.000 0.277 365 T C 1.152 175.907 174.700 0.092 0.000 0.975 365 T CA -0.533 61.615 62.100 0.080 0.000 0.966 365 T CB 1.508 70.411 68.868 0.059 0.000 1.054 365 T HN 0.645 nan 8.240 nan 0.000 0.533 366 K N 0.166 120.596 120.400 0.051 0.000 2.160 366 K HA -0.144 4.179 4.320 0.005 0.000 0.206 366 K C 2.288 178.784 176.600 -0.173 0.000 1.047 366 K CA 1.711 57.857 56.287 -0.234 0.000 0.930 366 K CB -0.486 31.758 32.500 -0.427 0.000 0.720 366 K HN 0.723 nan 8.250 nan 0.000 0.450 367 S N -1.475 114.177 115.700 -0.082 0.000 2.561 367 S HA 0.087 4.560 4.470 0.005 0.000 0.225 367 S C 1.375 175.951 174.600 -0.040 0.000 0.977 367 S CA 0.639 58.803 58.200 -0.060 0.000 0.926 367 S CB 0.228 63.405 63.200 -0.038 0.000 0.769 367 S HN 0.550 nan 8.310 nan 0.000 0.533 368 G N 0.624 109.407 108.800 -0.029 0.000 2.195 368 G HA2 -0.118 3.845 3.960 0.005 0.000 0.246 368 G HA3 -0.118 3.845 3.960 0.005 0.000 0.246 368 G C 0.280 175.143 174.900 -0.061 0.000 0.984 368 G CA -0.053 45.024 45.100 -0.038 0.000 0.633 368 G HN 1.316 nan 8.290 nan 0.000 0.525 369 A N 0.449 123.241 122.820 -0.047 0.000 2.425 369 A HA 0.649 4.972 4.320 0.005 0.000 0.249 369 A C 0.869 178.403 177.584 -0.084 0.000 1.084 369 A CA 0.315 52.323 52.037 -0.049 0.000 0.781 369 A CB 0.290 19.277 19.000 -0.022 0.000 1.019 369 A HN 0.612 nan 8.150 nan 0.000 0.490 370 R N 1.157 121.603 120.500 -0.089 0.000 2.590 370 R HA 0.287 4.630 4.340 0.005 0.000 0.274 370 R C 0.184 176.428 176.300 -0.093 0.000 1.061 370 R CA -0.000 56.034 56.100 -0.110 0.000 1.081 370 R CB 0.316 30.598 30.300 -0.030 0.000 0.984 370 R HN 0.744 nan 8.270 nan 0.000 0.448 371 V N 1.335 121.159 119.914 -0.151 0.000 2.843 371 V HA 0.064 4.187 4.120 0.005 0.000 0.305 371 V C 0.278 176.223 176.094 -0.248 0.000 1.065 371 V CA -0.232 61.871 62.300 -0.328 0.000 1.116 371 V CB 1.198 32.622 31.823 -0.666 0.000 0.968 371 V HN 0.919 nan 8.190 nan 0.000 0.487 372 D N 1.479 121.753 120.400 -0.209 0.000 2.670 372 D HA 0.246 4.889 4.640 0.005 0.000 0.255 372 D C -0.023 176.279 176.300 0.004 0.000 1.286 372 D CA -0.010 53.954 54.000 -0.059 0.000 0.830 372 D CB -0.554 40.265 40.800 0.032 0.000 1.065 372 D HN 1.041 nan 8.370 nan 0.000 0.486 373 H N -3.647 115.400 119.070 -0.038 0.000 2.990 373 H HA 0.518 5.077 4.556 0.005 0.000 0.336 373 H C -0.648 174.595 175.328 -0.141 0.000 1.306 373 H CA -1.050 54.963 56.048 -0.059 0.000 1.118 373 H CB 0.478 30.193 29.762 -0.079 0.000 1.856 373 H HN -0.291 nan 8.280 nan 0.000 0.538 374 Q N 0.689 120.493 119.800 0.006 0.000 2.394 374 Q HA 0.300 4.643 4.340 0.005 0.000 0.248 374 Q C 0.251 175.943 176.000 -0.513 0.000 0.992 374 Q CA 0.591 56.290 55.803 -0.173 0.000 0.888 374 Q CB 1.668 30.361 28.738 -0.075 0.000 1.257 374 Q HN 0.985 nan 8.270 nan 0.000 0.462 375 T N -2.565 111.551 114.554 -0.730 0.000 2.628 375 T HA 0.525 4.878 4.350 0.005 0.000 0.223 375 T C 0.586 174.610 174.700 -1.128 0.000 0.959 375 T CA -0.235 60.960 62.100 -1.508 0.000 1.113 375 T CB -0.434 67.942 68.868 -0.820 0.000 2.140 375 T HN 0.584 nan 8.240 nan 0.000 0.516 376 G N 3.249 111.690 108.800 -0.598 0.000 2.391 376 G HA2 0.459 4.422 3.960 0.005 0.000 0.234 376 G HA3 0.459 4.422 3.960 0.005 0.000 0.234 376 G C -2.206 172.692 174.900 -0.002 0.000 1.284 376 G CA -0.661 44.406 45.100 -0.055 0.000 0.873 376 G HN 0.674 nan 8.290 nan 0.000 0.549 377 P HA 0.347 nan 4.420 nan 0.000 0.278 377 P C -0.180 177.197 177.300 0.127 0.000 1.266 377 P CA -0.708 62.473 63.100 0.135 0.000 0.807 377 P CB 1.354 33.187 31.700 0.222 0.000 1.094 378 I N 0.457 121.108 120.570 0.135 0.000 2.396 378 I HA 0.121 4.294 4.170 0.005 0.000 0.289 378 I C 0.289 176.566 176.117 0.267 0.000 1.056 378 I CA -0.497 60.888 61.300 0.142 0.000 1.365 378 I CB 0.816 38.862 38.000 0.076 0.000 1.407 378 I HN -0.031 nan 8.210 nan 0.000 0.509 379 V N 7.441 127.494 119.914 0.231 0.000 2.481 379 V HA 0.483 4.606 4.120 0.005 0.000 0.286 379 V C -0.375 175.898 176.094 0.298 0.000 1.042 379 V CA -0.271 62.177 62.300 0.247 0.000 0.928 379 V CB 1.202 33.120 31.823 0.157 0.000 0.986 379 V HN 0.815 nan 8.190 nan 0.000 0.462 380 W N 2.846 124.141 121.300 -0.008 0.000 3.005 380 W HA 0.840 5.499 4.660 -0.001 0.000 0.343 380 W C -0.321 176.158 176.519 -0.067 0.000 1.243 380 W CA -0.687 56.622 57.345 -0.060 0.000 1.186 380 W CB 1.281 30.667 29.460 -0.124 0.000 1.453 380 W HN 1.036 nan 8.180 nan 0.000 0.575 381 G N 0.796 109.560 108.800 -0.059 0.000 2.350 381 G HA2 0.353 4.316 3.960 0.005 0.000 0.305 381 G HA3 0.353 4.316 3.960 0.005 0.000 0.305 381 G C -2.019 172.942 174.900 0.101 0.000 1.479 381 G CA -0.882 44.085 45.100 -0.221 0.000 0.949 381 G HN 0.517 nan 8.290 nan 0.000 0.651 382 E N -0.260 120.098 120.200 0.263 0.000 2.369 382 E HA 0.575 4.929 4.350 0.005 0.000 0.270 382 E C -2.612 174.081 176.600 0.154 0.000 0.909 382 E CA -1.540 55.021 56.400 0.268 0.000 0.775 382 E CB 2.543 32.484 29.700 0.403 0.000 1.270 382 E HN 0.265 nan 8.360 nan 0.000 0.445 383 P HA 0.104 nan 4.420 nan 0.000 0.268 383 P C -0.058 177.101 177.300 -0.235 0.000 1.205 383 P CA -0.040 63.040 63.100 -0.032 0.000 0.771 383 P CB 0.427 32.132 31.700 0.008 0.000 0.858 384 G N 0.776 109.216 108.800 -0.601 0.000 2.467 384 G HA2 0.318 4.281 3.960 0.005 0.000 0.257 384 G HA3 0.318 4.281 3.960 0.005 0.000 0.257 384 G C 0.912 175.397 174.900 -0.692 0.000 1.227 384 G CA -0.305 44.063 45.100 -1.219 0.000 0.835 384 G HN 0.523 nan 8.290 nan 0.000 0.556 385 T N -0.721 113.603 114.554 -0.383 0.000 3.107 385 T HA -0.020 4.333 4.350 0.005 0.000 0.249 385 T C 1.672 176.229 174.700 -0.239 0.000 1.096 385 T CA 0.291 62.207 62.100 -0.307 0.000 1.012 385 T CB -0.122 68.737 68.868 -0.015 0.000 0.977 385 T HN 0.395 nan 8.240 nan 0.000 0.527 386 N N 2.266 120.837 118.700 -0.216 0.000 2.094 386 N HA -0.021 4.722 4.740 0.005 0.000 0.191 386 N C 2.164 177.523 175.510 -0.252 0.000 1.023 386 N CA 1.626 54.588 53.050 -0.147 0.000 0.857 386 N CB -0.850 37.575 38.487 -0.102 0.000 1.013 386 N HN 0.565 nan 8.380 nan 0.000 0.426 387 G N 0.512 109.055 108.800 -0.428 0.000 2.450 387 G HA2 -0.300 3.663 3.960 0.005 0.000 0.220 387 G HA3 -0.300 3.663 3.960 0.005 0.000 0.220 387 G C 1.309 175.474 174.900 -1.226 0.000 1.130 387 G CA 0.633 45.202 45.100 -0.885 0.000 0.760 387 G HN 0.383 nan 8.290 nan 0.000 0.557 388 Q N -0.501 118.525 119.800 -1.290 0.000 2.234 388 Q HA -0.085 4.258 4.340 0.005 0.000 0.206 388 Q C 1.551 177.134 176.000 -0.696 0.000 0.980 388 Q CA 1.041 56.113 55.803 -1.218 0.000 0.869 388 Q CB -0.086 28.156 28.738 -0.827 0.000 0.912 388 Q HN 0.646 nan 8.270 nan 0.000 0.436 389 H N -2.008 116.842 119.070 -0.368 0.000 2.520 389 H HA 0.378 4.943 4.556 0.014 0.000 0.284 389 H C 0.763 176.009 175.328 -0.138 0.000 1.037 389 H CA 0.491 56.427 56.048 -0.187 0.000 1.168 389 H CB 0.798 30.474 29.762 -0.144 0.000 1.497 389 H HN 0.252 nan 8.280 nan 0.000 0.547 390 A N 0.560 123.300 122.820 -0.133 0.000 2.008 390 A HA 0.136 4.459 4.320 0.005 0.000 0.201 390 A C 1.063 178.716 177.584 0.116 0.000 1.794 390 A CA 0.056 52.089 52.037 -0.007 0.000 0.952 390 A CB -0.147 18.876 19.000 0.038 0.000 1.147 390 A HN 0.220 nan 8.150 nan 0.000 0.589 391 F N -3.769 116.325 119.950 0.241 0.000 2.798 391 F HA 0.466 5.004 4.527 0.019 0.000 0.328 391 F C 1.151 177.192 175.800 0.401 0.000 1.098 391 F CA -0.698 57.480 58.000 0.297 0.000 1.172 391 F CB -0.073 39.132 39.000 0.343 0.000 1.072 391 F HN 0.070 nan 8.300 nan 0.000 0.555 392 Y N 1.891 122.214 120.300 0.039 0.000 2.403 392 Y HA -0.139 4.413 4.550 0.003 0.000 0.291 392 Y C 2.669 178.759 175.900 0.317 0.000 1.143 392 Y CA 1.221 59.448 58.100 0.211 0.000 1.257 392 Y CB -0.944 37.618 38.460 0.171 0.000 0.984 392 Y HN 0.328 nan 8.280 nan 0.000 0.550 393 Q N 0.742 120.765 119.800 0.372 0.000 2.077 393 Q HA -0.228 4.115 4.340 0.005 0.000 0.206 393 Q C 2.180 178.330 176.000 0.250 0.000 0.989 393 Q CA 2.066 58.033 55.803 0.272 0.000 0.853 393 Q CB -0.799 28.039 28.738 0.168 0.000 0.907 393 Q HN 0.613 nan 8.270 nan 0.000 0.418 394 L N -0.719 120.656 121.223 0.253 0.000 2.109 394 L HA -0.012 4.331 4.340 0.005 0.000 0.207 394 L C 2.146 179.121 176.870 0.175 0.000 1.086 394 L CA 0.970 55.923 54.840 0.188 0.000 0.760 394 L CB -0.143 42.022 42.059 0.178 0.000 0.910 394 L HN 0.352 nan 8.230 nan 0.000 0.437 395 I N -0.972 119.724 120.570 0.211 0.000 2.286 395 I HA -0.297 3.876 4.170 0.005 0.000 0.248 395 I C 2.348 178.466 176.117 0.002 0.000 1.115 395 I CA 1.019 62.362 61.300 0.071 0.000 1.392 395 I CB -0.689 37.284 38.000 -0.045 0.000 1.065 395 I HN 0.368 nan 8.210 nan 0.000 0.418 396 H N 0.482 119.647 119.070 0.157 0.000 2.403 396 H HA 0.039 4.617 4.556 0.038 0.000 0.298 396 H C 1.265 176.644 175.328 0.085 0.000 1.059 396 H CA 1.123 57.284 56.048 0.188 0.000 1.363 396 H CB 0.313 30.287 29.762 0.354 0.000 1.410 396 H HN 0.469 nan 8.280 nan 0.000 0.528 397 Q N -0.067 119.820 119.800 0.145 0.000 2.093 397 Q HA 0.212 4.555 4.340 0.005 0.000 0.217 397 Q C 0.745 176.754 176.000 0.015 0.000 0.785 397 Q CA -0.299 55.506 55.803 0.003 0.000 1.038 397 Q CB 1.939 30.603 28.738 -0.122 0.000 1.190 397 Q HN 0.212 nan 8.270 nan 0.000 0.468 398 G N 0.416 109.245 108.800 0.049 0.000 2.509 398 G HA2 0.176 4.139 3.960 0.005 0.000 0.269 398 G HA3 0.176 4.139 3.960 0.005 0.000 0.269 398 G C 0.668 175.582 174.900 0.023 0.000 1.416 398 G CA 0.164 45.286 45.100 0.037 0.000 1.052 398 G HN 0.173 nan 8.290 nan 0.000 0.542 399 T N -2.688 111.877 114.554 0.019 0.000 3.174 399 T HA 0.398 4.751 4.350 0.005 0.000 0.269 399 T C 0.297 175.009 174.700 0.020 0.000 1.017 399 T CA -0.231 61.879 62.100 0.016 0.000 0.899 399 T CB 0.177 69.050 68.868 0.009 0.000 1.077 399 T HN 0.184 nan 8.240 nan 0.000 0.552 400 K N 1.523 121.936 120.400 0.023 0.000 2.207 400 K HA 0.589 4.912 4.320 0.005 0.000 0.255 400 K C -0.703 175.911 176.600 0.024 0.000 0.941 400 K CA -0.654 55.649 56.287 0.025 0.000 0.825 400 K CB 1.981 34.494 32.500 0.021 0.000 1.119 400 K HN 0.227 nan 8.250 nan 0.000 0.430 401 M N 4.674 124.286 119.600 0.020 0.000 2.146 401 M HA 0.396 4.879 4.480 0.005 0.000 0.357 401 M C -1.258 175.030 176.300 -0.020 0.000 1.261 401 M CA -0.169 55.118 55.300 -0.021 0.000 1.106 401 M CB 0.290 32.869 32.600 -0.035 0.000 1.612 401 M HN 0.557 nan 8.290 nan 0.000 0.470 402 I N 7.820 128.361 120.570 -0.049 0.000 2.521 402 I HA 0.355 4.528 4.170 0.005 0.000 0.277 402 I C -2.275 173.769 176.117 -0.122 0.000 1.054 402 I CA -1.925 59.372 61.300 -0.006 0.000 1.117 402 I CB 1.471 39.537 38.000 0.110 0.000 1.217 402 I HN 0.487 nan 8.210 nan 0.000 0.469 403 P HA 0.065 nan 4.420 nan 0.000 0.264 403 P C -0.884 176.272 177.300 -0.240 0.000 1.193 403 P CA -0.044 62.913 63.100 -0.238 0.000 0.763 403 P CB 0.401 32.039 31.700 -0.105 0.000 0.810 404 C N 3.062 122.257 119.300 -0.174 0.000 2.441 404 C HA 0.373 4.836 4.460 0.005 0.000 0.318 404 C C -0.370 174.613 174.990 -0.011 0.000 1.222 404 C CA -0.420 58.476 59.018 -0.203 0.000 1.474 404 C CB 1.359 29.069 27.740 -0.049 0.000 2.125 404 C HN 0.496 nan 8.230 nan 0.000 0.479 405 D N 1.898 122.252 120.400 -0.077 0.000 2.329 405 D HA 0.451 5.094 4.640 0.005 0.000 0.232 405 D C -0.699 175.709 176.300 0.180 0.000 1.088 405 D CA 0.025 54.145 54.000 0.199 0.000 0.835 405 D CB 0.642 41.647 40.800 0.341 0.000 1.078 405 D HN 0.264 nan 8.370 nan 0.000 0.495 406 F N 2.176 122.204 119.950 0.131 0.000 2.410 406 F HA 0.401 4.926 4.527 -0.003 0.000 0.349 406 F C 0.006 176.098 175.800 0.487 0.000 1.117 406 F CA -0.644 57.474 58.000 0.196 0.000 1.104 406 F CB 0.745 39.583 39.000 -0.270 0.000 1.122 406 F HN 0.053 nan 8.300 nan 0.000 0.483 407 L N 5.305 126.944 121.223 0.692 0.000 2.362 407 L HA 0.713 5.056 4.340 0.005 0.000 0.271 407 L C -0.805 176.244 176.870 0.298 0.000 1.002 407 L CA -0.470 54.700 54.840 0.550 0.000 0.818 407 L CB 2.316 44.646 42.059 0.451 0.000 1.298 407 L HN 0.562 nan 8.230 nan 0.000 0.420 408 I N 2.863 123.267 120.570 -0.277 0.000 2.785 408 I HA 0.459 4.632 4.170 0.005 0.000 0.293 408 I C -2.755 172.620 176.117 -1.236 0.000 1.446 408 I CA -1.607 59.317 61.300 -0.626 0.000 1.028 408 I CB 3.422 40.820 38.000 -1.005 0.000 1.349 408 I HN 0.397 nan 8.210 nan 0.000 0.438 409 P HA 0.158 nan 4.420 nan 0.000 0.285 409 P C 0.476 177.646 177.300 -0.217 0.000 1.259 409 P CA -0.170 62.568 63.100 -0.604 0.000 0.794 409 P CB 1.968 33.643 31.700 -0.042 0.000 0.940 410 V N 2.571 122.379 119.914 -0.178 0.000 2.358 410 V HA -0.175 3.948 4.120 0.005 0.000 0.246 410 V C 1.298 177.450 176.094 0.097 0.000 1.047 410 V CA 1.804 64.083 62.300 -0.036 0.000 1.035 410 V CB -0.875 30.917 31.823 -0.053 0.000 0.658 410 V HN 0.592 nan 8.190 nan 0.000 0.452 411 Q N -0.038 119.766 119.800 0.005 0.000 2.290 411 Q HA 0.376 4.719 4.340 0.005 0.000 0.259 411 Q C -0.058 175.809 176.000 -0.222 0.000 0.941 411 Q CA -0.113 55.643 55.803 -0.078 0.000 0.912 411 Q CB 1.806 30.526 28.738 -0.031 0.000 1.244 411 Q HN 0.354 nan 8.270 nan 0.000 0.441 412 T N 0.962 115.215 114.554 -0.501 0.000 2.913 412 T HA 0.052 4.405 4.350 0.005 0.000 0.287 412 T C 1.025 175.595 174.700 -0.218 0.000 1.008 412 T CA -0.409 61.403 62.100 -0.481 0.000 1.067 412 T CB 0.874 69.287 68.868 -0.757 0.000 0.996 412 T HN 0.509 nan 8.240 nan 0.000 0.513 413 Q N 1.479 121.198 119.800 -0.134 0.000 2.369 413 Q HA -0.002 4.341 4.340 0.005 0.000 0.206 413 Q C 0.031 175.712 176.000 -0.533 0.000 0.963 413 Q CA 1.121 56.760 55.803 -0.275 0.000 0.894 413 Q CB 0.086 28.710 28.738 -0.190 0.000 0.965 413 Q HN 0.656 nan 8.270 nan 0.000 0.475 414 H N 0.404 119.436 119.070 -0.062 0.000 2.448 414 H HA 0.200 4.759 4.556 0.005 0.000 0.237 414 H C -2.088 173.184 175.328 -0.094 0.000 1.391 414 H CA -1.697 54.307 56.048 -0.074 0.000 1.477 414 H CB 1.078 30.793 29.762 -0.078 0.000 1.520 414 H HN 0.028 nan 8.280 nan 0.000 0.502 415 P HA 0.062 nan 4.420 nan 0.000 0.225 415 P C 0.777 178.081 177.300 0.007 0.000 1.768 415 P CA -0.203 62.887 63.100 -0.015 0.000 0.943 415 P CB -0.890 30.789 31.700 -0.035 0.000 1.936 416 I N -3.124 117.443 120.570 -0.006 0.000 2.892 416 I HA 0.165 4.338 4.170 0.005 0.000 0.287 416 I C 0.685 176.816 176.117 0.022 0.000 1.205 416 I CA -0.616 60.666 61.300 -0.030 0.000 1.409 416 I CB -0.077 37.841 38.000 -0.137 0.000 1.367 416 I HN 0.018 nan 8.210 nan 0.000 0.597 417 R N 2.825 123.342 120.500 0.029 0.000 3.333 417 R HA -0.193 4.150 4.340 0.005 0.000 0.256 417 R C -0.048 176.289 176.300 0.062 0.000 1.010 417 R CA 0.933 57.070 56.100 0.061 0.000 0.680 417 R CB -1.602 28.768 30.300 0.117 0.000 1.102 417 R HN 0.837 nan 8.270 nan 0.000 0.440 418 K N -1.840 118.584 120.400 0.040 0.000 3.069 418 K HA -0.281 4.042 4.320 0.005 0.000 0.267 418 K C 0.788 177.416 176.600 0.047 0.000 1.082 418 K CA 0.988 57.295 56.287 0.034 0.000 0.782 418 K CB -1.536 30.979 32.500 0.026 0.000 1.230 418 K HN 0.943 nan 8.250 nan 0.000 0.488 419 G N -0.149 108.691 108.800 0.067 0.000 2.141 419 G HA2 -0.328 3.635 3.960 0.005 0.000 0.242 419 G HA3 -0.328 3.635 3.960 0.005 0.000 0.242 419 G C 0.583 175.558 174.900 0.125 0.000 0.982 419 G CA 0.308 45.464 45.100 0.094 0.000 0.662 419 G HN 0.251 nan 8.290 nan 0.000 0.527 420 L N 0.402 121.701 121.223 0.127 0.000 2.012 420 L HA 0.026 4.369 4.340 0.005 0.000 0.210 420 L C 2.492 179.431 176.870 0.115 0.000 1.073 420 L CA 2.992 57.894 54.840 0.103 0.000 0.748 420 L CB -0.651 41.460 42.059 0.086 0.000 0.891 420 L HN 0.488 nan 8.230 nan 0.000 0.431 421 H N -2.050 117.051 119.070 0.051 0.000 2.353 421 H HA -0.202 4.360 4.556 0.009 0.000 0.300 421 H C 2.109 177.494 175.328 0.096 0.000 1.090 421 H CA 1.840 57.923 56.048 0.057 0.000 1.327 421 H CB -0.025 29.768 29.762 0.051 0.000 1.383 421 H HN 0.516 nan 8.280 nan 0.000 0.508 422 H N 1.088 120.240 119.070 0.137 0.000 2.428 422 H HA -0.040 4.520 4.556 0.007 0.000 0.296 422 H C 2.395 177.747 175.328 0.041 0.000 1.062 422 H CA 1.315 57.407 56.048 0.074 0.000 1.350 422 H CB 0.157 29.947 29.762 0.046 0.000 1.403 422 H HN 0.158 nan 8.280 nan 0.000 0.533 423 K N 0.262 120.693 120.400 0.052 0.000 2.032 423 K HA -0.142 4.181 4.320 0.005 0.000 0.209 423 K C 1.990 178.564 176.600 -0.043 0.000 1.048 423 K CA 1.950 58.226 56.287 -0.017 0.000 0.927 423 K CB -0.198 32.309 32.500 0.011 0.000 0.712 423 K HN 0.319 nan 8.250 nan 0.000 0.441 424 I N 0.977 121.535 120.570 -0.020 0.000 2.252 424 I HA -0.270 3.903 4.170 0.005 0.000 0.245 424 I C 2.387 178.506 176.117 0.004 0.000 1.102 424 I CA 0.519 61.807 61.300 -0.020 0.000 1.385 424 I CB -0.239 37.735 38.000 -0.043 0.000 1.064 424 I HN 0.203 nan 8.210 nan 0.000 0.414 425 L N 0.765 121.989 121.223 0.002 0.000 2.012 425 L HA -0.213 4.130 4.340 0.005 0.000 0.210 425 L C 2.347 179.229 176.870 0.019 0.000 1.073 425 L CA 1.907 56.779 54.840 0.053 0.000 0.748 425 L CB -0.483 41.594 42.059 0.030 0.000 0.891 425 L HN 0.124 nan 8.230 nan 0.000 0.431 426 L N -0.874 120.241 121.223 -0.180 0.000 2.046 426 L HA -0.212 4.131 4.340 0.005 0.000 0.208 426 L C 2.657 179.514 176.870 -0.022 0.000 1.077 426 L CA 1.293 56.031 54.840 -0.170 0.000 0.747 426 L CB -0.887 41.018 42.059 -0.256 0.000 0.896 426 L HN 0.385 nan 8.230 nan 0.000 0.432 427 A N -0.104 122.700 122.820 -0.028 0.000 1.902 427 A HA -0.219 4.104 4.320 0.005 0.000 0.217 427 A C 2.108 179.695 177.584 0.006 0.000 1.181 427 A CA 1.863 53.890 52.037 -0.017 0.000 0.623 427 A CB -0.615 18.369 19.000 -0.026 0.000 0.818 427 A HN 0.472 nan 8.150 nan 0.000 0.443 428 N N -1.209 117.526 118.700 0.059 0.000 2.142 428 N HA -0.147 4.596 4.740 0.005 0.000 0.186 428 N C 1.611 177.156 175.510 0.059 0.000 1.023 428 N CA 1.612 54.729 53.050 0.112 0.000 0.852 428 N CB -0.397 38.234 38.487 0.240 0.000 0.998 428 N HN 0.573 nan 8.380 nan 0.000 0.424 429 F N 2.130 121.943 119.950 -0.228 0.000 2.095 429 F HA -0.137 4.393 4.527 0.005 0.000 0.298 429 F C 2.147 177.727 175.800 -0.367 0.000 1.104 429 F CA 1.228 58.882 58.000 -0.577 0.000 1.232 429 F CB -0.309 38.359 39.000 -0.552 0.000 0.987 429 F HN -0.082 nan 8.300 nan 0.000 0.475 430 L N -0.071 121.099 121.223 -0.089 0.000 2.056 430 L HA -0.124 4.219 4.340 0.005 0.000 0.207 430 L C 2.825 179.539 176.870 -0.260 0.000 1.078 430 L CA 1.108 55.840 54.840 -0.181 0.000 0.749 430 L CB -1.169 40.861 42.059 -0.048 0.000 0.901 430 L HN 0.239 nan 8.230 nan 0.000 0.433 431 A N -0.881 121.836 122.820 -0.172 0.000 1.930 431 A HA -0.185 4.138 4.320 0.005 0.000 0.217 431 A C 2.278 179.764 177.584 -0.163 0.000 1.175 431 A CA 1.135 53.083 52.037 -0.149 0.000 0.627 431 A CB -0.303 18.643 19.000 -0.090 0.000 0.815 431 A HN 0.371 nan 8.150 nan 0.000 0.443 432 Q N -0.280 119.421 119.800 -0.165 0.000 2.046 432 Q HA -0.142 4.201 4.340 0.005 0.000 0.200 432 Q C 2.442 178.246 176.000 -0.327 0.000 0.975 432 Q CA 2.273 58.029 55.803 -0.078 0.000 0.836 432 Q CB -1.006 27.869 28.738 0.227 0.000 0.896 432 Q HN 0.872 nan 8.270 nan 0.000 0.428 433 T N -1.619 112.516 114.554 -0.700 0.000 2.821 433 T HA -0.123 4.230 4.350 0.005 0.000 0.267 433 T C 1.725 176.199 174.700 -0.377 0.000 1.046 433 T CA 1.301 62.993 62.100 -0.680 0.000 1.139 433 T CB -0.100 68.266 68.868 -0.838 0.000 0.871 433 T HN 0.325 nan 8.240 nan 0.000 0.454 434 E N 1.505 121.508 120.200 -0.329 0.000 2.058 434 E HA -0.130 4.223 4.350 0.005 0.000 0.194 434 E C 2.459 178.949 176.600 -0.183 0.000 0.997 434 E CA 1.152 57.399 56.400 -0.255 0.000 0.801 434 E CB -0.464 29.097 29.700 -0.232 0.000 0.746 434 E HN 0.656 nan 8.360 nan 0.000 0.450 435 A N 0.920 123.656 122.820 -0.139 0.000 1.902 435 A HA -0.140 4.183 4.320 0.005 0.000 0.217 435 A C 2.208 179.811 177.584 0.032 0.000 1.181 435 A CA 1.065 53.058 52.037 -0.074 0.000 0.623 435 A CB -0.642 18.327 19.000 -0.052 0.000 0.818 435 A HN 0.306 nan 8.150 nan 0.000 0.443 436 L N -1.245 119.987 121.223 0.015 0.000 2.083 436 L HA -0.201 4.142 4.340 0.005 0.000 0.209 436 L C 2.812 179.663 176.870 -0.031 0.000 1.083 436 L CA 1.839 56.657 54.840 -0.036 0.000 0.752 436 L CB -0.358 41.590 42.059 -0.184 0.000 0.899 436 L HN 0.643 nan 8.230 nan 0.000 0.433 437 M N -0.429 119.125 119.600 -0.076 0.000 2.098 437 M HA -0.193 4.290 4.480 0.005 0.000 0.262 437 M C 2.256 178.541 176.300 -0.025 0.000 1.072 437 M CA 1.810 57.078 55.300 -0.053 0.000 1.133 437 M CB 0.025 32.553 32.600 -0.119 0.000 1.344 437 M HN -0.040 nan 8.290 nan 0.000 0.414 438 K N 0.282 120.648 120.400 -0.057 0.000 2.076 438 K HA 0.130 4.453 4.320 0.005 0.000 0.204 438 K C 1.090 177.692 176.600 0.002 0.000 1.051 438 K CA 0.686 56.947 56.287 -0.044 0.000 0.949 438 K CB -0.278 32.169 32.500 -0.088 0.000 0.726 438 K HN 0.669 nan 8.250 nan 0.000 0.443 439 G N 1.747 110.560 108.800 0.021 0.000 2.641 439 G HA2 -0.324 3.639 3.960 0.005 0.000 0.254 439 G HA3 -0.324 3.639 3.960 0.005 0.000 0.254 439 G C -0.643 174.269 174.900 0.019 0.000 1.315 439 G CA -0.016 45.139 45.100 0.091 0.000 0.907 439 G HN 0.269 nan 8.290 nan 0.000 0.572 440 K N -0.522 119.950 120.400 0.121 0.000 2.565 440 K HA 0.554 4.877 4.320 0.005 0.000 0.249 440 K C -0.056 176.612 176.600 0.114 0.000 0.958 440 K CA -0.825 55.510 56.287 0.080 0.000 0.806 440 K CB 0.951 33.502 32.500 0.084 0.000 1.194 440 K HN 0.552 nan 8.250 nan 0.000 0.434 441 L N 5.374 126.635 121.223 0.062 0.000 2.436 441 L HA 0.247 4.590 4.340 0.005 0.000 0.265 441 L C -1.514 175.387 176.870 0.052 0.000 1.168 441 L CA -1.937 52.935 54.840 0.053 0.000 0.815 441 L CB 0.614 42.693 42.059 0.033 0.000 1.109 441 L HN 0.549 nan 8.230 nan 0.000 0.462 442 P HA -0.222 nan 4.420 nan 0.000 0.216 442 P C 1.137 178.455 177.300 0.030 0.000 1.153 442 P CA 1.227 64.348 63.100 0.035 0.000 0.858 442 P CB 0.011 31.726 31.700 0.025 0.000 0.789 443 E N 0.504 120.718 120.200 0.024 0.000 2.153 443 E HA -0.212 4.141 4.350 0.005 0.000 0.194 443 E C 1.598 178.208 176.600 0.017 0.000 0.988 443 E CA 1.334 57.745 56.400 0.018 0.000 0.811 443 E CB -0.892 28.816 29.700 0.014 0.000 0.746 443 E HN 0.388 nan 8.360 nan 0.000 0.466 444 E N 1.205 121.417 120.200 0.020 0.000 2.051 444 E HA -0.006 4.347 4.350 0.005 0.000 0.189 444 E C 2.194 178.808 176.600 0.023 0.000 0.979 444 E CA 0.986 57.395 56.400 0.015 0.000 0.803 444 E CB -0.132 29.573 29.700 0.009 0.000 0.761 444 E HN 0.374 nan 8.360 nan 0.000 0.451 445 A N 1.776 124.620 122.820 0.041 0.000 1.933 445 A HA -0.205 4.118 4.320 0.005 0.000 0.218 445 A C 2.120 179.727 177.584 0.038 0.000 1.175 445 A CA 1.572 53.640 52.037 0.052 0.000 0.628 445 A CB -0.483 18.563 19.000 0.077 0.000 0.814 445 A HN 0.113 nan 8.150 nan 0.000 0.444 446 R N 0.054 120.572 120.500 0.031 0.000 2.081 446 R HA -0.143 4.200 4.340 0.005 0.000 0.235 446 R C 1.966 178.277 176.300 0.018 0.000 1.131 446 R CA 1.877 57.992 56.100 0.024 0.000 0.960 446 R CB -0.287 30.025 30.300 0.020 0.000 0.856 446 R HN 0.472 nan 8.270 nan 0.000 0.436 447 K N 0.297 120.706 120.400 0.015 0.000 2.097 447 K HA -0.140 4.183 4.320 0.005 0.000 0.206 447 K C 2.041 178.646 176.600 0.009 0.000 1.049 447 K CA 1.820 58.113 56.287 0.009 0.000 0.933 447 K CB -0.029 32.474 32.500 0.005 0.000 0.717 447 K HN 0.409 nan 8.250 nan 0.000 0.442 448 E N 0.581 120.788 120.200 0.012 0.000 2.077 448 E HA -0.170 4.183 4.350 0.005 0.000 0.193 448 E C 1.899 178.507 176.600 0.013 0.000 0.989 448 E CA 0.734 57.141 56.400 0.011 0.000 0.800 448 E CB 0.029 29.738 29.700 0.015 0.000 0.746 448 E HN 0.058 nan 8.360 nan 0.000 0.452 449 L N 1.200 122.434 121.223 0.019 0.000 2.046 449 L HA -0.184 4.159 4.340 0.005 0.000 0.208 449 L C 2.349 179.226 176.870 0.012 0.000 1.077 449 L CA 1.609 56.459 54.840 0.018 0.000 0.747 449 L CB -0.991 41.082 42.059 0.023 0.000 0.896 449 L HN 0.136 nan 8.230 nan 0.000 0.432 450 Q N -0.690 119.117 119.800 0.011 0.000 2.050 450 Q HA -0.110 4.233 4.340 0.005 0.000 0.202 450 Q C 2.262 178.265 176.000 0.005 0.000 0.980 450 Q CA 1.822 57.629 55.803 0.007 0.000 0.840 450 Q CB -0.278 28.464 28.738 0.007 0.000 0.898 450 Q HN 0.512 nan 8.270 nan 0.000 0.424 451 A N 0.350 123.173 122.820 0.004 0.000 2.015 451 A HA 0.007 4.330 4.320 0.005 0.000 0.219 451 A C 2.035 179.620 177.584 0.001 0.000 1.163 451 A CA 1.448 53.486 52.037 0.002 0.000 0.646 451 A CB -0.360 18.640 19.000 -0.000 0.000 0.806 451 A HN 0.324 nan 8.150 nan 0.000 0.448 452 A N -1.492 121.330 122.820 0.003 0.000 2.235 452 A HA 0.403 4.726 4.320 0.005 0.000 0.208 452 A C 1.722 179.307 177.584 0.002 0.000 1.172 452 A CA 1.113 53.152 52.037 0.002 0.000 0.786 452 A CB -1.034 17.968 19.000 0.004 0.000 0.804 452 A HN 1.841 nan 8.150 nan 0.000 0.479 453 G N -0.400 108.401 108.800 0.002 0.000 2.147 453 G HA2 -0.237 3.726 3.960 0.005 0.000 0.244 453 G HA3 -0.237 3.726 3.960 0.005 0.000 0.244 453 G C 0.039 174.940 174.900 0.002 0.000 1.005 453 G CA 0.272 45.373 45.100 0.001 0.000 0.713 453 G HN 0.407 nan 8.290 nan 0.000 0.515 454 K N 1.287 121.689 120.400 0.004 0.000 2.350 454 K HA 0.376 4.699 4.320 0.005 0.000 0.279 454 K C 1.261 177.864 176.600 0.005 0.000 1.027 454 K CA 0.461 56.750 56.287 0.004 0.000 0.969 454 K CB 1.160 33.664 32.500 0.007 0.000 0.954 454 K HN 0.691 nan 8.250 nan 0.000 0.474 455 S N 2.403 118.105 115.700 0.004 0.000 2.584 455 S HA 0.098 4.571 4.470 0.005 0.000 0.270 455 S C -1.692 172.912 174.600 0.006 0.000 1.346 455 S CA -0.974 57.229 58.200 0.004 0.000 1.018 455 S CB 0.700 63.901 63.200 0.003 0.000 0.899 455 S HN 0.285 nan 8.310 nan 0.000 0.542 456 P HA -0.149 nan 4.420 nan 0.000 0.216 456 P C 1.451 178.756 177.300 0.009 0.000 1.150 456 P CA 1.585 64.690 63.100 0.008 0.000 0.843 456 P CB 0.034 31.738 31.700 0.006 0.000 0.787 457 E N -0.333 119.872 120.200 0.008 0.000 2.047 457 E HA -0.207 4.146 4.350 0.005 0.000 0.191 457 E C 1.435 178.042 176.600 0.012 0.000 0.987 457 E CA 1.452 57.857 56.400 0.009 0.000 0.799 457 E CB -0.476 29.228 29.700 0.007 0.000 0.752 457 E HN 0.080 nan 8.360 nan 0.000 0.449 458 D N 0.624 121.030 120.400 0.009 0.000 2.117 458 D HA -0.155 4.488 4.640 0.005 0.000 0.198 458 D C 2.050 178.360 176.300 0.016 0.000 0.982 458 D CA 0.708 54.713 54.000 0.008 0.000 0.828 458 D CB -0.288 40.513 40.800 0.003 0.000 0.967 458 D HN 0.232 nan 8.370 nan 0.000 0.464 459 L N 0.851 122.084 121.223 0.016 0.000 2.012 459 L HA -0.209 4.134 4.340 0.005 0.000 0.210 459 L C 2.291 179.178 176.870 0.029 0.000 1.073 459 L CA 1.710 56.563 54.840 0.022 0.000 0.748 459 L CB -0.150 41.919 42.059 0.017 0.000 0.891 459 L HN -0.017 nan 8.230 nan 0.000 0.431 460 E N -0.265 119.950 120.200 0.025 0.000 2.085 460 E HA -0.283 4.070 4.350 0.005 0.000 0.194 460 E C 2.143 178.768 176.600 0.041 0.000 0.994 460 E CA 1.529 57.945 56.400 0.027 0.000 0.801 460 E CB 0.023 29.735 29.700 0.020 0.000 0.743 460 E HN 0.466 nan 8.360 nan 0.000 0.453 461 K N -0.241 120.186 120.400 0.047 0.000 2.062 461 K HA -0.111 4.212 4.320 0.005 0.000 0.205 461 K C 2.044 178.726 176.600 0.136 0.000 1.051 461 K CA 0.662 56.992 56.287 0.073 0.000 0.941 461 K CB -0.008 32.519 32.500 0.046 0.000 0.719 461 K HN 0.158 nan 8.250 nan 0.000 0.440 462 L N 0.956 122.239 121.223 0.099 0.000 2.240 462 L HA -0.049 4.294 4.340 0.005 0.000 0.211 462 L C 2.046 179.010 176.870 0.156 0.000 1.106 462 L CA 0.951 55.865 54.840 0.123 0.000 0.793 462 L CB -0.775 41.310 42.059 0.044 0.000 0.927 462 L HN 0.101 nan 8.230 nan 0.000 0.446 463 L N 1.468 122.747 121.223 0.093 0.000 1.978 463 L HA -0.169 4.174 4.340 0.005 0.000 0.218 463 L C -0.495 176.400 176.870 0.042 0.000 1.075 463 L CA 2.423 57.299 54.840 0.061 0.000 0.767 463 L CB -1.822 40.260 42.059 0.038 0.000 0.890 463 L HN 0.195 nan 8.230 nan 0.000 0.434 464 P HA -0.176 nan 4.420 nan 0.000 0.220 464 P C 1.043 178.254 177.300 -0.148 0.000 1.148 464 P CA 1.770 64.815 63.100 -0.092 0.000 0.803 464 P CB -0.341 31.263 31.700 -0.160 0.000 0.782 465 H N -0.236 118.810 119.070 -0.041 0.000 2.491 465 H HA 0.025 4.581 4.556 0.001 0.000 0.290 465 H C 1.668 176.935 175.328 -0.100 0.000 1.050 465 H CA 1.065 57.072 56.048 -0.068 0.000 1.309 465 H CB -0.009 29.726 29.762 -0.045 0.000 1.392 465 H HN 0.025 nan 8.280 nan 0.000 0.554 466 K N 0.393 120.828 120.400 0.058 0.000 2.367 466 K HA 0.162 4.486 4.320 0.005 0.000 0.194 466 K C -0.013 176.645 176.600 0.096 0.000 1.027 466 K CA 0.074 56.404 56.287 0.070 0.000 1.075 466 K CB 0.736 33.299 32.500 0.105 0.000 0.845 466 K HN 0.048 nan 8.250 nan 0.000 0.529 467 V N 2.102 122.026 119.914 0.015 0.000 2.546 467 V HA 0.223 4.346 4.120 0.005 0.000 0.284 467 V C -0.179 175.909 176.094 -0.011 0.000 1.050 467 V CA -0.368 61.977 62.300 0.075 0.000 0.981 467 V CB 0.433 32.274 31.823 0.030 0.000 0.990 467 V HN -0.019 nan 8.190 nan 0.000 0.474 468 F N 2.625 122.586 119.950 0.018 0.000 2.426 468 F HA 0.382 4.882 4.527 -0.046 0.000 0.348 468 F C 1.291 177.112 175.800 0.035 0.000 1.124 468 F CA -0.418 57.604 58.000 0.036 0.000 1.008 468 F CB 1.652 40.675 39.000 0.038 0.000 1.139 468 F HN 0.565 nan 8.300 nan 0.000 0.452 469 E N 2.385 122.678 120.200 0.155 0.000 2.208 469 E HA 0.082 4.435 4.350 0.005 0.000 0.193 469 E C 1.607 178.278 176.600 0.118 0.000 0.988 469 E CA 0.577 57.041 56.400 0.106 0.000 0.828 469 E CB 0.001 29.737 29.700 0.060 0.000 0.763 469 E HN 0.955 nan 8.360 nan 0.000 0.478 470 G N 1.736 110.631 108.800 0.160 0.000 2.564 470 G HA2 -0.440 3.523 3.960 0.005 0.000 0.273 470 G HA3 -0.440 3.523 3.960 0.005 0.000 0.273 470 G C 0.209 175.154 174.900 0.075 0.000 1.242 470 G CA 0.104 45.276 45.100 0.120 0.000 0.951 470 G HN 0.335 nan 8.290 nan 0.000 0.564 471 N N -1.267 117.468 118.700 0.059 0.000 2.741 471 N HA -0.181 4.562 4.740 0.005 0.000 0.250 471 N C 0.205 175.733 175.510 0.030 0.000 1.115 471 N CA 1.897 54.981 53.050 0.058 0.000 0.724 471 N CB -0.648 37.883 38.487 0.072 0.000 1.090 471 N HN 0.854 nan 8.380 nan 0.000 0.558 472 R N 0.664 121.166 120.500 0.003 0.000 2.229 472 R HA 0.402 4.745 4.340 0.005 0.000 0.332 472 R C -2.185 174.080 176.300 -0.059 0.000 0.989 472 R CA -1.466 54.606 56.100 -0.047 0.000 0.842 472 R CB 1.163 31.423 30.300 -0.067 0.000 1.119 472 R HN 0.163 nan 8.270 nan 0.000 0.456 473 P HA 0.137 nan 4.420 nan 0.000 0.282 473 P C -0.819 176.460 177.300 -0.036 0.000 1.249 473 P CA -0.356 62.733 63.100 -0.019 0.000 0.806 473 P CB 1.667 33.369 31.700 0.005 0.000 0.984 474 T N -1.035 113.541 114.554 0.036 0.000 2.883 474 T HA 0.486 4.839 4.350 0.005 0.000 0.301 474 T C -0.598 174.198 174.700 0.161 0.000 1.158 474 T CA -0.964 61.175 62.100 0.065 0.000 1.007 474 T CB 0.961 69.786 68.868 -0.073 0.000 1.186 474 T HN 0.291 nan 8.240 nan 0.000 0.499 475 N N 0.120 118.957 118.700 0.228 0.000 2.405 475 N HA 0.614 5.357 4.740 0.005 0.000 0.299 475 N C -1.052 174.615 175.510 0.261 0.000 1.075 475 N CA -0.840 52.377 53.050 0.279 0.000 0.884 475 N CB 1.658 40.347 38.487 0.337 0.000 1.194 475 N HN 0.528 nan 8.380 nan 0.000 0.491 476 S N 1.577 117.429 115.700 0.254 0.000 2.530 476 S HA 0.466 4.939 4.470 0.005 0.000 0.322 476 S C -0.539 174.303 174.600 0.403 0.000 1.085 476 S CA -0.532 57.852 58.200 0.307 0.000 1.096 476 S CB 0.307 63.618 63.200 0.185 0.000 0.988 476 S HN 0.354 nan 8.310 nan 0.000 0.466 477 I N 3.815 124.675 120.570 0.483 0.000 2.354 477 I HA 0.420 4.593 4.170 0.005 0.000 0.286 477 I C -0.826 175.526 176.117 0.392 0.000 1.007 477 I CA -0.635 60.927 61.300 0.437 0.000 1.167 477 I CB 1.362 39.631 38.000 0.447 0.000 1.320 477 I HN 0.234 nan 8.210 nan 0.000 0.458 478 V N 7.112 127.185 119.914 0.265 0.000 2.604 478 V HA 0.584 4.707 4.120 0.005 0.000 0.305 478 V C -0.515 175.625 176.094 0.077 0.000 1.043 478 V CA -0.683 61.585 62.300 -0.053 0.000 0.888 478 V CB 1.552 33.347 31.823 -0.046 0.000 0.995 478 V HN 0.544 nan 8.190 nan 0.000 0.429 479 F N -0.001 119.974 119.950 0.041 0.000 2.599 479 F HA 0.610 5.140 4.527 0.006 0.000 0.311 479 F C 1.107 176.936 175.800 0.049 0.000 1.076 479 F CA -0.850 57.185 58.000 0.060 0.000 0.937 479 F CB 1.124 40.160 39.000 0.061 0.000 1.282 479 F HN 0.281 nan 8.300 nan 0.000 0.460 480 T N -0.588 114.107 114.554 0.236 0.000 2.684 480 T HA -0.122 4.231 4.350 0.005 0.000 0.267 480 T C 0.254 175.028 174.700 0.123 0.000 1.036 480 T CA 1.802 63.980 62.100 0.130 0.000 1.148 480 T CB -0.200 68.750 68.868 0.136 0.000 0.863 480 T HN 0.607 nan 8.240 nan 0.000 0.436 481 K N -0.365 120.178 120.400 0.238 0.000 2.578 481 K HA 0.371 4.694 4.320 0.005 0.000 0.269 481 K C -2.108 174.694 176.600 0.336 0.000 0.941 481 K CA -0.752 55.666 56.287 0.219 0.000 0.847 481 K CB 1.359 33.941 32.500 0.136 0.000 1.397 481 K HN -0.090 nan 8.250 nan 0.000 0.422 482 L N 4.081 125.500 121.223 0.326 0.000 2.384 482 L HA 0.224 4.567 4.340 0.005 0.000 0.258 482 L C -0.244 176.724 176.870 0.164 0.000 1.266 482 L CA 0.373 55.371 54.840 0.263 0.000 1.162 482 L CB -0.259 41.981 42.059 0.302 0.000 1.375 482 L HN 0.677 nan 8.230 nan 0.000 0.420 483 T N 0.684 115.291 114.554 0.088 0.000 2.881 483 T HA 0.451 4.804 4.350 0.005 0.000 0.278 483 T C -1.715 172.866 174.700 -0.197 0.000 0.982 483 T CA -1.743 60.306 62.100 -0.085 0.000 0.989 483 T CB 1.015 69.867 68.868 -0.027 0.000 1.058 483 T HN 0.176 nan 8.240 nan 0.000 0.529 484 P HA -0.088 nan 4.420 nan 0.000 0.215 484 P C 1.255 178.502 177.300 -0.087 0.000 1.157 484 P CA 0.942 63.882 63.100 -0.267 0.000 0.874 484 P CB -0.152 31.353 31.700 -0.325 0.000 0.790 485 F N 0.000 119.845 119.950 -0.176 0.000 2.069 485 F HA -0.217 4.313 4.527 0.005 0.000 0.298 485 F C 2.038 177.787 175.800 -0.084 0.000 1.113 485 F CA 1.522 59.449 58.000 -0.122 0.000 1.214 485 F CB -0.567 38.334 39.000 -0.165 0.000 0.978 485 F HN -0.242 nan 8.300 nan 0.000 0.474 486 I N 0.110 120.775 120.570 0.160 0.000 2.226 486 I HA -0.242 3.931 4.170 0.005 0.000 0.245 486 I C 2.430 178.467 176.117 -0.134 0.000 1.100 486 I CA 1.105 62.417 61.300 0.021 0.000 1.374 486 I CB -1.475 36.559 38.000 0.055 0.000 1.057 486 I HN 0.295 nan 8.210 nan 0.000 0.413 487 L N 1.565 122.721 121.223 -0.112 0.000 2.042 487 L HA -0.100 4.243 4.340 0.005 0.000 0.210 487 L C 2.419 179.300 176.870 0.019 0.000 1.076 487 L CA 2.269 57.059 54.840 -0.084 0.000 0.749 487 L CB -1.240 40.780 42.059 -0.066 0.000 0.893 487 L HN 0.209 nan 8.230 nan 0.000 0.432 488 G N -1.123 107.680 108.800 0.005 0.000 2.440 488 G HA2 -0.277 3.686 3.960 0.005 0.000 0.218 488 G HA3 -0.277 3.686 3.960 0.005 0.000 0.218 488 G C 1.610 176.562 174.900 0.086 0.000 1.154 488 G CA 0.901 46.095 45.100 0.156 0.000 0.767 488 G HN 0.657 nan 8.290 nan 0.000 0.552 489 A N 0.537 123.295 122.820 -0.104 0.000 1.902 489 A HA 0.075 4.398 4.320 0.005 0.000 0.217 489 A C 2.460 180.085 177.584 0.070 0.000 1.181 489 A CA 1.368 53.377 52.037 -0.047 0.000 0.623 489 A CB -0.414 18.510 19.000 -0.127 0.000 0.818 489 A HN 0.362 nan 8.150 nan 0.000 0.443 490 L N -0.644 120.615 121.223 0.060 0.000 2.046 490 L HA -0.174 4.169 4.340 0.005 0.000 0.208 490 L C 2.492 179.625 176.870 0.438 0.000 1.077 490 L CA 1.269 56.210 54.840 0.168 0.000 0.747 490 L CB -0.555 41.522 42.059 0.030 0.000 0.896 490 L HN 0.382 nan 8.230 nan 0.000 0.432 491 I N -0.007 120.858 120.570 0.491 0.000 2.179 491 I HA -0.284 3.889 4.170 0.005 0.000 0.242 491 I C 2.843 179.304 176.117 0.573 0.000 1.088 491 I CA 1.236 62.944 61.300 0.679 0.000 1.357 491 I CB -0.569 37.749 38.000 0.530 0.000 1.051 491 I HN 0.187 nan 8.210 nan 0.000 0.409 492 A N 0.537 123.556 122.820 0.333 0.000 1.940 492 A HA -0.279 4.044 4.320 0.005 0.000 0.219 492 A C 2.429 180.007 177.584 -0.010 0.000 1.176 492 A CA 1.979 54.043 52.037 0.046 0.000 0.631 492 A CB -0.711 18.241 19.000 -0.081 0.000 0.814 492 A HN 0.473 nan 8.150 nan 0.000 0.446 493 M N -1.881 117.778 119.600 0.099 0.000 2.080 493 M HA -0.211 4.272 4.480 0.005 0.000 0.260 493 M C 2.018 178.269 176.300 -0.081 0.000 1.068 493 M CA 1.982 57.290 55.300 0.014 0.000 1.109 493 M CB -0.265 32.312 32.600 -0.039 0.000 1.342 493 M HN 0.535 nan 8.290 nan 0.000 0.405 494 Y N 0.463 120.768 120.300 0.008 0.000 2.263 494 Y HA -0.176 4.377 4.550 0.004 0.000 0.292 494 Y C 2.264 178.172 175.900 0.013 0.000 1.130 494 Y CA 1.576 59.583 58.100 -0.154 0.000 1.179 494 Y CB -0.228 37.774 38.460 -0.763 0.000 0.998 494 Y HN 0.343 nan 8.280 nan 0.000 0.532 495 E N -0.638 119.751 120.200 0.314 0.000 2.070 495 E HA -0.256 4.097 4.350 0.005 0.000 0.197 495 E C 1.801 178.510 176.600 0.180 0.000 1.004 495 E CA 1.570 58.160 56.400 0.317 0.000 0.805 495 E CB -0.204 29.627 29.700 0.218 0.000 0.744 495 E HN 0.587 nan 8.360 nan 0.000 0.451 496 H N 0.288 119.395 119.070 0.061 0.000 2.436 496 H HA 0.000 4.559 4.556 0.005 0.000 0.294 496 H C 1.982 177.219 175.328 -0.153 0.000 1.048 496 H CA 0.896 56.801 56.048 -0.238 0.000 1.353 496 H CB -0.088 29.106 29.762 -0.946 0.000 1.414 496 H HN 0.105 nan 8.280 nan 0.000 0.536 497 K N 1.122 121.523 120.400 0.002 0.000 2.044 497 K HA -0.139 4.184 4.320 0.005 0.000 0.210 497 K C 2.081 178.708 176.600 0.046 0.000 1.049 497 K CA 1.428 57.710 56.287 -0.009 0.000 0.927 497 K CB -0.174 32.297 32.500 -0.049 0.000 0.713 497 K HN 0.142 nan 8.250 nan 0.000 0.443 498 I N 0.502 121.152 120.570 0.134 0.000 2.226 498 I HA -0.250 3.923 4.170 0.005 0.000 0.245 498 I C 2.271 178.482 176.117 0.156 0.000 1.100 498 I CA 0.979 62.370 61.300 0.152 0.000 1.374 498 I CB -0.286 37.856 38.000 0.236 0.000 1.057 498 I HN 0.187 nan 8.210 nan 0.000 0.413 499 F N 1.231 121.258 119.950 0.129 0.000 2.102 499 F HA -0.209 4.321 4.527 0.005 0.000 0.298 499 F C 2.335 178.207 175.800 0.119 0.000 1.105 499 F CA 1.676 59.789 58.000 0.188 0.000 1.239 499 F CB -0.539 38.691 39.000 0.383 0.000 0.991 499 F HN -0.219 nan 8.300 nan 0.000 0.474 500 V N 0.750 120.660 119.914 -0.007 0.000 2.343 500 V HA -0.337 3.786 4.120 0.005 0.000 0.247 500 V C 2.366 178.271 176.094 -0.315 0.000 1.051 500 V CA 2.339 64.545 62.300 -0.157 0.000 1.036 500 V CB -0.927 30.909 31.823 0.022 0.000 0.654 500 V HN 0.430 nan 8.190 nan 0.000 0.451 501 Q N 0.023 119.617 119.800 -0.343 0.000 2.084 501 Q HA -0.140 4.203 4.340 0.005 0.000 0.202 501 Q C 2.425 178.008 176.000 -0.694 0.000 0.978 501 Q CA 1.667 57.041 55.803 -0.714 0.000 0.844 501 Q CB -0.589 27.681 28.738 -0.780 0.000 0.898 501 Q HN 0.723 nan 8.270 nan 0.000 0.426 502 G N 1.401 110.038 108.800 -0.272 0.000 2.446 502 G HA2 -0.235 3.728 3.960 0.005 0.000 0.217 502 G HA3 -0.235 3.728 3.960 0.005 0.000 0.217 502 G C 1.392 176.242 174.900 -0.084 0.000 1.168 502 G CA 0.645 45.720 45.100 -0.041 0.000 0.771 502 G HN 0.161 nan 8.290 nan 0.000 0.551 503 I N 0.928 121.337 120.570 -0.268 0.000 2.226 503 I HA -0.127 4.046 4.170 0.005 0.000 0.245 503 I C 2.889 178.914 176.117 -0.153 0.000 1.100 503 I CA 1.130 62.299 61.300 -0.219 0.000 1.374 503 I CB -1.027 36.748 38.000 -0.376 0.000 1.057 503 I HN 0.247 nan 8.210 nan 0.000 0.413 504 M N -1.290 118.151 119.600 -0.265 0.000 2.159 504 M HA -0.211 4.272 4.480 0.005 0.000 0.263 504 M C 1.950 178.147 176.300 -0.172 0.000 1.063 504 M CA 1.565 56.703 55.300 -0.270 0.000 1.110 504 M CB -0.365 31.996 32.600 -0.398 0.000 1.374 504 M HN 0.266 nan 8.290 nan 0.000 0.411 505 W N 0.201 121.468 121.300 -0.055 0.000 2.800 505 W HA 0.008 4.671 4.660 0.004 0.000 0.249 505 W C 0.465 177.030 176.519 0.076 0.000 1.294 505 W CA 0.514 57.870 57.345 0.019 0.000 1.402 505 W CB -0.854 28.678 29.460 0.121 0.000 1.126 505 W HN 0.366 nan 8.180 nan 0.000 0.652 506 D N -0.254 120.273 120.400 0.211 0.000 2.981 506 D HA -0.197 4.446 4.640 0.005 0.000 0.223 506 D C 0.065 176.507 176.300 0.237 0.000 1.151 506 D CA 0.913 55.014 54.000 0.169 0.000 0.827 506 D CB -1.379 39.495 40.800 0.124 0.000 1.101 506 D HN 0.247 nan 8.370 nan 0.000 0.426 507 I N -4.000 116.735 120.570 0.274 0.000 3.062 507 I HA 0.533 4.706 4.170 0.005 0.000 0.316 507 I C 0.479 176.748 176.117 0.254 0.000 1.041 507 I CA -1.031 60.431 61.300 0.269 0.000 1.069 507 I CB 1.199 39.337 38.000 0.230 0.000 1.300 507 I HN -0.149 nan 8.210 nan 0.000 0.518 508 N N 1.672 120.460 118.700 0.147 0.000 2.462 508 N HA 0.229 4.972 4.740 0.005 0.000 0.242 508 N C 0.104 175.571 175.510 -0.071 0.000 1.010 508 N CA -0.099 52.921 53.050 -0.050 0.000 0.939 508 N CB 1.088 39.354 38.487 -0.369 0.000 1.127 508 N HN 0.637 nan 8.380 nan 0.000 0.509 509 S N 2.535 118.089 115.700 -0.244 0.000 2.555 509 S HA 0.083 4.556 4.470 0.005 0.000 0.230 509 S C 0.555 174.795 174.600 -0.600 0.000 0.978 509 S CA 0.474 58.358 58.200 -0.527 0.000 0.934 509 S CB -0.195 62.481 63.200 -0.873 0.000 0.766 509 S HN 0.624 nan 8.310 nan 0.000 0.533 510 F N 0.871 120.892 119.950 0.118 0.000 2.746 510 F HA 0.259 4.789 4.527 0.005 0.000 0.320 510 F C 0.565 176.381 175.800 0.028 0.000 1.097 510 F CA -0.864 57.208 58.000 0.119 0.000 1.195 510 F CB 0.406 39.471 39.000 0.108 0.000 1.056 510 F HN 0.089 nan 8.300 nan 0.000 0.562 511 D N -0.244 120.190 120.400 0.056 0.000 2.569 511 D HA 0.316 4.959 4.640 0.005 0.000 0.266 511 D C -0.089 176.113 176.300 -0.163 0.000 1.164 511 D CA -0.577 53.343 54.000 -0.134 0.000 1.071 511 D CB 0.549 41.224 40.800 -0.209 0.000 1.183 511 D HN 0.044 nan 8.370 nan 0.000 0.613 512 Q N -0.863 118.722 119.800 -0.358 0.000 3.214 512 Q HA 0.110 4.453 4.340 0.005 0.000 0.277 512 Q C -0.673 175.213 176.000 -0.190 0.000 0.737 512 Q CA -0.518 55.170 55.803 -0.191 0.000 0.971 512 Q CB -1.315 27.346 28.738 -0.128 0.000 1.528 512 Q HN 0.737 nan 8.270 nan 0.000 0.375 513 W N 0.881 122.211 121.300 0.051 0.000 2.525 513 W HA 0.077 4.740 4.660 0.005 0.000 0.259 513 W C 1.936 178.486 176.519 0.051 0.000 1.253 513 W CA 1.032 58.408 57.345 0.051 0.000 1.262 513 W CB 0.214 29.707 29.460 0.055 0.000 1.122 513 W HN 0.587 nan 8.180 nan 0.000 0.607 514 G N 0.294 109.228 108.800 0.223 0.000 2.679 514 G HA2 -0.120 3.843 3.960 0.005 0.000 0.212 514 G HA3 -0.120 3.843 3.960 0.005 0.000 0.212 514 G C 1.275 176.230 174.900 0.092 0.000 1.137 514 G CA 1.086 46.276 45.100 0.150 0.000 0.787 514 G HN 0.300 nan 8.290 nan 0.000 0.534 515 V N -2.826 117.134 119.914 0.076 0.000 3.506 515 V HA 0.282 4.405 4.120 0.005 0.000 0.263 515 V C 1.902 178.034 176.094 0.063 0.000 1.203 515 V CA 1.212 63.538 62.300 0.044 0.000 1.133 515 V CB 0.230 32.059 31.823 0.009 0.000 0.802 515 V HN 0.304 nan 8.190 nan 0.000 0.459 516 E N 0.402 120.669 120.200 0.111 0.000 2.051 516 E HA -0.180 4.173 4.350 0.005 0.000 0.192 516 E C 1.999 178.653 176.600 0.090 0.000 0.991 516 E CA 1.672 58.146 56.400 0.124 0.000 0.799 516 E CB -0.156 29.668 29.700 0.207 0.000 0.748 516 E HN 0.560 nan 8.360 nan 0.000 0.449 517 L N 0.228 121.501 121.223 0.083 0.000 2.012 517 L HA -0.072 4.271 4.340 0.005 0.000 0.210 517 L C 2.152 179.049 176.870 0.044 0.000 1.073 517 L CA 2.381 57.258 54.840 0.061 0.000 0.748 517 L CB -0.984 41.107 42.059 0.053 0.000 0.891 517 L HN 0.192 nan 8.230 nan 0.000 0.431 518 G N -0.965 107.857 108.800 0.036 0.000 2.422 518 G HA2 -0.272 3.691 3.960 0.005 0.000 0.218 518 G HA3 -0.272 3.691 3.960 0.005 0.000 0.218 518 G C 1.698 176.612 174.900 0.023 0.000 1.146 518 G CA 0.893 46.006 45.100 0.021 0.000 0.769 518 G HN 0.422 nan 8.290 nan 0.000 0.547 519 K N -0.053 120.365 120.400 0.030 0.000 2.057 519 K HA -0.062 4.261 4.320 0.005 0.000 0.206 519 K C 2.743 179.364 176.600 0.035 0.000 1.050 519 K CA 1.233 57.538 56.287 0.029 0.000 0.935 519 K CB -0.172 32.347 32.500 0.033 0.000 0.715 519 K HN 0.348 nan 8.250 nan 0.000 0.439 520 Q N 0.623 120.450 119.800 0.044 0.000 2.050 520 Q HA -0.118 4.225 4.340 0.005 0.000 0.202 520 Q C 2.163 178.191 176.000 0.047 0.000 0.980 520 Q CA 1.284 57.115 55.803 0.047 0.000 0.840 520 Q CB -0.092 28.677 28.738 0.052 0.000 0.898 520 Q HN 0.302 nan 8.270 nan 0.000 0.424 521 L N -0.121 121.129 121.223 0.046 0.000 2.201 521 L HA -0.109 4.234 4.340 0.005 0.000 0.212 521 L C 2.421 179.316 176.870 0.042 0.000 1.105 521 L CA 0.687 55.558 54.840 0.053 0.000 0.775 521 L CB -0.572 41.513 42.059 0.043 0.000 0.913 521 L HN 0.217 nan 8.230 nan 0.000 0.440 522 A N -0.180 122.656 122.820 0.026 0.000 1.930 522 A HA -0.152 4.171 4.320 0.005 0.000 0.217 522 A C 2.257 179.857 177.584 0.027 0.000 1.175 522 A CA 1.182 53.229 52.037 0.016 0.000 0.627 522 A CB -0.211 18.794 19.000 0.009 0.000 0.815 522 A HN 0.123 nan 8.150 nan 0.000 0.443 523 K N 0.558 120.978 120.400 0.032 0.000 2.103 523 K HA -0.086 4.237 4.320 0.005 0.000 0.207 523 K C 1.784 178.411 176.600 0.045 0.000 1.048 523 K CA 1.488 57.795 56.287 0.034 0.000 0.930 523 K CB -0.326 32.194 32.500 0.034 0.000 0.716 523 K HN 0.572 nan 8.250 nan 0.000 0.444 524 K N 0.030 120.466 120.400 0.061 0.000 2.103 524 K HA 0.034 4.357 4.320 0.005 0.000 0.204 524 K C 2.201 178.867 176.600 0.110 0.000 1.052 524 K CA 0.895 57.233 56.287 0.085 0.000 0.945 524 K CB -0.036 32.532 32.500 0.113 0.000 0.722 524 K HN 0.093 nan 8.250 nan 0.000 0.443 525 I N 0.793 121.419 120.570 0.092 0.000 2.480 525 I HA -0.164 4.010 4.170 0.005 0.000 0.251 525 I C 2.455 178.601 176.117 0.048 0.000 1.124 525 I CA 0.678 62.021 61.300 0.072 0.000 1.444 525 I CB -0.093 37.894 38.000 -0.020 0.000 1.098 525 I HN 0.207 nan 8.210 nan 0.000 0.428 526 E N 1.769 121.990 120.200 0.035 0.000 2.048 526 E HA -0.244 4.109 4.350 0.005 0.000 0.202 526 E C -0.598 176.020 176.600 0.029 0.000 1.021 526 E CA 2.011 58.426 56.400 0.026 0.000 0.825 526 E CB -0.803 28.910 29.700 0.021 0.000 0.756 526 E HN 0.315 nan 8.360 nan 0.000 0.454 527 P HA -0.131 nan 4.420 nan 0.000 0.222 527 P C 0.410 177.731 177.300 0.034 0.000 1.147 527 P CA 1.257 64.375 63.100 0.030 0.000 0.790 527 P CB -0.078 31.640 31.700 0.029 0.000 0.780 528 E N -0.320 119.910 120.200 0.049 0.000 2.358 528 E HA -0.004 4.349 4.350 0.005 0.000 0.195 528 E C 2.026 178.653 176.600 0.044 0.000 1.010 528 E CA 0.370 56.804 56.400 0.057 0.000 0.856 528 E CB -0.363 29.398 29.700 0.102 0.000 0.795 528 E HN 0.307 nan 8.360 nan 0.000 0.504 529 L N 0.808 122.051 121.223 0.034 0.000 2.179 529 L HA -0.019 4.324 4.340 0.005 0.000 0.208 529 L C 1.114 177.994 176.870 0.017 0.000 1.096 529 L CA 0.408 55.263 54.840 0.024 0.000 0.779 529 L CB -0.088 41.982 42.059 0.018 0.000 0.922 529 L HN 0.040 nan 8.230 nan 0.000 0.443 530 E N -0.031 120.179 120.200 0.017 0.000 2.392 530 E HA 0.334 4.687 4.350 0.005 0.000 0.264 530 E C 0.471 177.078 176.600 0.011 0.000 1.024 530 E CA 0.773 57.180 56.400 0.012 0.000 0.903 530 E CB 0.481 30.188 29.700 0.011 0.000 0.963 530 E HN 0.238 nan 8.360 nan 0.000 0.432 531 G N 1.809 110.613 108.800 0.006 0.000 2.829 531 G HA2 -0.251 3.712 3.960 0.005 0.000 0.628 531 G HA3 -0.251 3.712 3.960 0.005 0.000 0.628 531 G C 0.436 175.338 174.900 0.004 0.000 1.412 531 G CA -0.133 44.969 45.100 0.005 0.000 0.864 531 G HN 0.742 nan 8.290 nan 0.000 0.544 532 S N -1.322 114.380 115.700 0.002 0.000 2.575 532 S HA 0.430 4.903 4.470 0.005 0.000 0.215 532 S C 1.323 175.927 174.600 0.005 0.000 0.966 532 S CA 1.008 59.208 58.200 0.001 0.000 0.911 532 S CB -0.049 63.149 63.200 -0.003 0.000 0.780 532 S HN 2.266 nan 8.310 nan 0.000 0.514 533 S N 1.818 117.523 115.700 0.009 0.000 2.549 533 S HA 0.634 5.107 4.470 0.005 0.000 0.283 533 S C 0.352 174.963 174.600 0.018 0.000 1.320 533 S CA -0.414 57.793 58.200 0.012 0.000 1.058 533 S CB 0.646 63.853 63.200 0.011 0.000 0.882 533 S HN 0.669 nan 8.310 nan 0.000 0.498 534 A N 3.258 126.089 122.820 0.019 0.000 2.462 534 A HA 0.498 4.821 4.320 0.005 0.000 0.243 534 A C 0.023 177.627 177.584 0.033 0.000 1.076 534 A CA -0.611 51.441 52.037 0.026 0.000 0.773 534 A CB -0.062 18.951 19.000 0.023 0.000 1.010 534 A HN 0.991 nan 8.150 nan 0.000 0.493 535 V N 2.814 122.758 119.914 0.050 0.000 2.370 535 V HA 0.438 4.561 4.120 0.005 0.000 0.283 535 V C 1.021 177.161 176.094 0.076 0.000 1.023 535 V CA 0.482 62.824 62.300 0.071 0.000 0.857 535 V CB 1.147 33.038 31.823 0.113 0.000 0.985 535 V HN 1.121 nan 8.190 nan 0.000 0.443 536 T N -1.558 113.023 114.554 0.045 0.000 3.111 536 T HA 0.009 4.362 4.350 0.005 0.000 0.284 536 T C 1.367 176.060 174.700 -0.012 0.000 0.983 536 T CA 0.435 62.552 62.100 0.030 0.000 0.900 536 T CB 0.213 69.088 68.868 0.013 0.000 1.132 536 T HN 0.630 nan 8.240 nan 0.000 0.531 537 S N 0.615 116.267 115.700 -0.080 0.000 2.561 537 S HA 0.099 4.572 4.470 0.005 0.000 0.225 537 S C 0.645 174.994 174.600 -0.418 0.000 0.977 537 S CA -0.279 57.764 58.200 -0.262 0.000 0.926 537 S CB -0.543 62.442 63.200 -0.359 0.000 0.769 537 S HN 0.686 nan 8.310 nan 0.000 0.533 538 H N 1.448 120.523 119.070 0.008 0.000 2.960 538 H HA 0.385 4.945 4.556 0.005 0.000 0.302 538 H C -0.579 174.752 175.328 0.005 0.000 1.515 538 H CA -0.544 55.508 56.048 0.007 0.000 1.431 538 H CB 0.125 29.891 29.762 0.008 0.000 1.890 538 H HN 0.388 nan 8.280 nan 0.000 0.762 539 D N -0.714 119.779 120.400 0.155 0.000 2.362 539 D HA -0.061 4.582 4.640 0.005 0.000 0.238 539 D C 1.218 177.561 176.300 0.071 0.000 1.212 539 D CA 0.239 54.286 54.000 0.079 0.000 0.902 539 D CB 0.678 41.511 40.800 0.055 0.000 1.180 539 D HN 0.457 nan 8.370 nan 0.000 0.445 540 S N 0.170 115.895 115.700 0.041 0.000 2.419 540 S HA -0.254 4.219 4.470 0.005 0.000 0.233 540 S C 1.920 176.534 174.600 0.024 0.000 1.016 540 S CA 0.957 59.177 58.200 0.033 0.000 0.974 540 S CB -0.636 62.576 63.200 0.020 0.000 0.786 540 S HN 0.520 nan 8.310 nan 0.000 0.492 541 S N 1.605 117.313 115.700 0.013 0.000 2.338 541 S HA -0.115 4.358 4.470 0.005 0.000 0.218 541 S C 2.006 176.601 174.600 -0.009 0.000 1.032 541 S CA 1.872 60.069 58.200 -0.005 0.000 0.999 541 S CB -1.317 61.873 63.200 -0.016 0.000 0.905 541 S HN 0.682 nan 8.310 nan 0.000 0.439 542 T N 2.976 117.523 114.554 -0.012 0.000 2.665 542 T HA -0.101 4.252 4.350 0.005 0.000 0.268 542 T C 1.736 176.424 174.700 -0.019 0.000 1.035 542 T CA 1.672 63.738 62.100 -0.058 0.000 1.151 542 T CB -0.693 68.095 68.868 -0.134 0.000 0.862 542 T HN 0.416 nan 8.240 nan 0.000 0.438 543 N N 0.993 119.724 118.700 0.051 0.000 2.120 543 N HA -0.041 4.702 4.740 0.005 0.000 0.188 543 N C 2.162 177.706 175.510 0.057 0.000 1.024 543 N CA 1.358 54.455 53.050 0.078 0.000 0.852 543 N CB -0.897 37.643 38.487 0.088 0.000 1.003 543 N HN 0.516 nan 8.380 nan 0.000 0.424 544 G N 0.840 109.665 108.800 0.042 0.000 2.408 544 G HA2 -0.107 3.856 3.960 0.005 0.000 0.217 544 G HA3 -0.107 3.856 3.960 0.005 0.000 0.217 544 G C 1.669 176.609 174.900 0.067 0.000 1.150 544 G CA 0.254 45.382 45.100 0.047 0.000 0.776 544 G HN 0.218 nan 8.290 nan 0.000 0.542 545 L N -0.018 121.228 121.223 0.037 0.000 2.056 545 L HA 0.060 4.403 4.340 0.005 0.000 0.207 545 L C 2.790 179.726 176.870 0.110 0.000 1.078 545 L CA 0.571 55.444 54.840 0.054 0.000 0.749 545 L CB -0.315 41.742 42.059 -0.003 0.000 0.901 545 L HN 0.164 nan 8.230 nan 0.000 0.433 546 I N -0.913 119.694 120.570 0.062 0.000 2.226 546 I HA -0.309 3.864 4.170 0.005 0.000 0.245 546 I C 2.854 179.018 176.117 0.078 0.000 1.100 546 I CA 1.323 62.658 61.300 0.059 0.000 1.374 546 I CB -0.298 37.725 38.000 0.038 0.000 1.057 546 I HN 0.214 nan 8.210 nan 0.000 0.413 547 S N 0.663 116.416 115.700 0.088 0.000 2.370 547 S HA -0.258 4.215 4.470 0.005 0.000 0.226 547 S C 2.087 176.748 174.600 0.102 0.000 1.033 547 S CA 1.524 59.773 58.200 0.082 0.000 1.011 547 S CB -0.473 62.776 63.200 0.081 0.000 0.852 547 S HN 0.435 nan 8.310 nan 0.000 0.457 548 F N 1.710 121.659 119.950 -0.001 0.000 2.126 548 F HA -0.026 4.504 4.527 0.005 0.000 0.299 548 F C 1.867 177.665 175.800 -0.003 0.000 1.096 548 F CA 1.581 59.580 58.000 -0.002 0.000 1.255 548 F CB -0.406 38.591 39.000 -0.005 0.000 0.997 548 F HN 0.231 nan 8.300 nan 0.000 0.479 549 I N 0.339 120.968 120.570 0.098 0.000 2.163 549 I HA -0.343 3.830 4.170 0.005 0.000 0.243 549 I C 2.338 178.411 176.117 -0.072 0.000 1.085 549 I CA 1.612 62.913 61.300 0.002 0.000 1.347 549 I CB -0.476 37.560 38.000 0.060 0.000 1.044 549 I HN 0.082 nan 8.210 nan 0.000 0.408 550 K N 0.025 120.402 120.400 -0.038 0.000 2.097 550 K HA -0.215 4.108 4.320 0.005 0.000 0.205 550 K C 2.145 178.697 176.600 -0.080 0.000 1.050 550 K CA 1.079 57.341 56.287 -0.042 0.000 0.938 550 K CB -0.198 32.295 32.500 -0.012 0.000 0.718 550 K HN 0.402 nan 8.250 nan 0.000 0.442 551 Q N 0.462 120.190 119.800 -0.119 0.000 2.123 551 Q HA -0.125 4.218 4.340 0.005 0.000 0.199 551 Q C 1.751 177.625 176.000 -0.210 0.000 0.966 551 Q CA 1.091 56.808 55.803 -0.145 0.000 0.845 551 Q CB 0.385 29.039 28.738 -0.139 0.000 0.907 551 Q HN 0.237 nan 8.270 nan 0.000 0.439 552 Q N -0.061 119.539 119.800 -0.334 0.000 2.402 552 Q HA -0.031 4.312 4.340 0.005 0.000 0.206 552 Q C 1.750 177.633 176.000 -0.195 0.000 0.919 552 Q CA 0.538 56.128 55.803 -0.355 0.000 0.923 552 Q CB 0.192 28.526 28.738 -0.674 0.000 1.048 552 Q HN 0.482 nan 8.270 nan 0.000 0.515 553 R N -0.014 120.401 120.500 -0.142 0.000 2.280 553 R HA -0.014 4.329 4.340 0.005 0.000 0.207 553 R C 0.350 176.614 176.300 -0.059 0.000 1.043 553 R CA 1.152 57.203 56.100 -0.081 0.000 1.006 553 R CB 0.125 30.392 30.300 -0.055 0.000 0.885 553 R HN -0.032 nan 8.270 nan 0.000 0.467 554 D N 0.822 121.183 120.400 -0.065 0.000 2.389 554 D HA 0.027 4.670 4.640 0.005 0.000 0.206 554 D C -0.129 176.145 176.300 -0.044 0.000 1.055 554 D CA 0.372 54.344 54.000 -0.046 0.000 0.856 554 D CB 0.484 41.260 40.800 -0.040 0.000 0.957 554 D HN 0.110 nan 8.370 nan 0.000 0.509 555 T N 1.873 116.391 114.554 -0.059 0.000 2.902 555 T HA 0.060 4.413 4.350 0.005 0.000 0.301 555 T C 0.585 175.265 174.700 -0.034 0.000 1.012 555 T CA 0.193 62.263 62.100 -0.050 0.000 1.151 555 T CB 1.218 70.045 68.868 -0.067 0.000 0.946 555 T HN -0.154 nan 8.240 nan 0.000 0.542 556 K N 3.959 124.345 120.400 -0.024 0.000 2.264 556 K HA 0.396 4.719 4.320 0.005 0.000 0.277 556 K C -0.157 176.436 176.600 -0.011 0.000 1.067 556 K CA -0.335 55.943 56.287 -0.015 0.000 0.900 556 K CB 0.826 33.319 32.500 -0.011 0.000 1.124 556 K HN 0.477 nan 8.250 nan 0.000 0.469 557 L N 0.000 121.218 121.223 -0.008 0.000 2.949 557 L HA 0.000 4.343 4.340 0.005 0.000 0.249 557 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 557 L CB 0.000 42.059 42.059 -0.001 0.000 0.961 557 L HN 0.000 nan 8.230 nan 0.000 0.502