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 1h0k_1_B DATA FIRST_RESID 23 DATA SEQUENCE MITAQAVLYT QHGEPKDVLF TQSFEIDDDN LAPNEVIVKT LGSPINPSDI DATA SEQUENCE NQIQGVYPSK PAKTTGFGTA EPAAPCGNEG LFEVIKVGSN VSSLEAGDWV DATA SEQUENCE IPSHVNFGTW RTHALGNDDD FIKLPNPAQS KANGKPNGLT INQGATISVN DATA SEQUENCE PLTAYLMLTH YVKLTPGKDW FIQNGGTSAV GKYASQIGKL LNFNSISVIR DATA SEQUENCE DRPNLDEVVA SLKELGATQV ITEDQNNSKE FGPTIKEWIK QSGGEAKLAL DATA SEQUENCE NCVGGKSSTG IARKLNNNGL MLTYGGMSFQ PVTIPTSLYI FKNFTSAGFW DATA SEQUENCE VTELLKNNKE LKTSTLNQII AWYEEGKLTD AKSIETLYDG TKPLHELYQD DATA SEQUENCE GVANSKDGKQ LITY 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 23 M HA 0.000 nan 4.480 nan 0.000 0.227 23 M C 0.000 176.254 176.300 -0.076 0.000 1.140 23 M CA 0.000 55.272 55.300 -0.047 0.000 0.988 23 M CB 0.000 32.579 32.600 -0.035 0.000 1.302 24 I N 2.589 123.082 120.570 -0.128 0.000 2.433 24 I HA 0.539 4.709 4.170 -0.000 0.000 0.292 24 I C -0.411 175.547 176.117 -0.265 0.000 1.001 24 I CA -0.697 60.472 61.300 -0.218 0.000 1.119 24 I CB 2.475 40.276 38.000 -0.330 0.000 1.289 24 I HN 0.600 nan 8.210 nan 0.000 0.438 25 T N 5.362 119.772 114.554 -0.240 0.000 2.767 25 T HA 0.687 5.037 4.350 -0.000 0.000 0.284 25 T C -0.116 174.400 174.700 -0.307 0.000 0.973 25 T CA -0.443 61.518 62.100 -0.231 0.000 0.996 25 T CB 1.344 70.156 68.868 -0.093 0.000 0.927 25 T HN 0.678 nan 8.240 nan 0.000 0.456 26 A N 3.361 125.882 122.820 -0.498 0.000 2.386 26 A HA 0.827 5.147 4.320 -0.000 0.000 0.308 26 A C -0.963 176.519 177.584 -0.170 0.000 1.128 26 A CA -0.884 50.897 52.037 -0.426 0.000 0.789 26 A CB 1.304 19.785 19.000 -0.864 0.000 1.325 26 A HN 0.582 nan 8.150 nan 0.000 0.437 27 Q N -0.298 119.600 119.800 0.164 0.000 2.353 27 Q HA 0.705 5.044 4.340 -0.000 0.000 0.268 27 Q C -0.836 175.377 176.000 0.354 0.000 1.045 27 Q CA -0.515 55.456 55.803 0.281 0.000 0.811 27 Q CB 2.104 30.956 28.738 0.190 0.000 1.305 27 Q HN 1.021 nan 8.270 nan 0.000 0.447 28 A N 1.439 124.397 122.820 0.228 0.000 2.414 28 A HA 0.675 4.994 4.320 -0.000 0.000 0.306 28 A C -0.801 176.643 177.584 -0.232 0.000 1.054 28 A CA -0.630 51.364 52.037 -0.071 0.000 0.724 28 A CB 1.536 20.229 19.000 -0.512 0.000 1.267 28 A HN 0.395 nan 8.150 nan 0.000 0.418 29 V N 3.360 123.153 119.914 -0.200 0.000 2.408 29 V HA 0.416 4.536 4.120 -0.000 0.000 0.267 29 V C -0.071 175.780 176.094 -0.407 0.000 1.047 29 V CA 0.253 62.435 62.300 -0.196 0.000 0.937 29 V CB 0.189 32.023 31.823 0.017 0.000 0.999 29 V HN 0.700 nan 8.190 nan 0.000 0.472 30 L N 5.621 126.435 121.223 -0.682 0.000 2.283 30 L HA 0.755 5.095 4.340 -0.000 0.000 0.259 30 L C -1.022 175.457 176.870 -0.650 0.000 1.027 30 L CA -1.024 53.321 54.840 -0.824 0.000 0.828 30 L CB 2.295 43.692 42.059 -1.103 0.000 1.380 30 L HN 0.721 nan 8.230 nan 0.000 0.425 31 Y N -2.875 117.195 120.300 -0.384 0.000 2.562 31 Y HA 0.528 5.077 4.550 -0.000 0.000 0.345 31 Y C 0.385 176.308 175.900 0.037 0.000 1.045 31 Y CA -0.717 57.343 58.100 -0.068 0.000 1.028 31 Y CB 1.376 39.800 38.460 -0.060 0.000 1.297 31 Y HN 0.542 nan 8.280 nan 0.000 0.463 32 T N -2.124 112.586 114.554 0.260 0.000 3.014 32 T HA 0.161 4.511 4.350 -0.000 0.000 0.250 32 T C 0.038 174.786 174.700 0.080 0.000 1.060 32 T CA 0.613 62.775 62.100 0.102 0.000 1.040 32 T CB -0.026 68.904 68.868 0.103 0.000 0.971 32 T HN 0.811 nan 8.240 nan 0.000 0.497 33 Q N 0.056 119.963 119.800 0.179 0.000 2.379 33 Q HA 0.359 4.698 4.340 -0.000 0.000 0.278 33 Q C -1.442 174.634 176.000 0.126 0.000 1.068 33 Q CA -1.056 54.815 55.803 0.113 0.000 0.816 33 Q CB 1.091 29.879 28.738 0.084 0.000 1.387 33 Q HN 0.217 nan 8.270 nan 0.000 0.413 34 H N 0.348 119.505 119.070 0.146 0.000 2.852 34 H HA 0.562 5.117 4.556 -0.000 0.000 0.362 34 H C 0.453 175.755 175.328 -0.044 0.000 1.122 34 H CA 1.604 57.639 56.048 -0.023 0.000 1.419 34 H CB 1.373 31.141 29.762 0.010 0.000 1.401 34 H HN 0.938 nan 8.280 nan 0.000 0.609 35 G N 1.458 110.277 108.800 0.032 0.000 2.333 35 G HA2 -0.000 3.959 3.960 -0.000 0.000 0.288 35 G HA3 -0.000 3.959 3.960 -0.000 0.000 0.288 35 G C -1.204 173.685 174.900 -0.018 0.000 1.286 35 G CA -0.828 44.283 45.100 0.019 0.000 0.865 35 G HN 0.393 nan 8.290 nan 0.000 0.506 36 E N 0.831 121.035 120.200 0.007 0.000 2.360 36 E HA 0.226 4.576 4.350 -0.000 0.000 0.269 36 E C -1.538 175.075 176.600 0.023 0.000 1.022 36 E CA -1.439 54.970 56.400 0.014 0.000 0.887 36 E CB 1.583 31.301 29.700 0.030 0.000 0.990 36 E HN 0.050 nan 8.360 nan 0.000 0.426 37 P HA -0.257 nan 4.420 nan 0.000 0.216 37 P C 1.262 178.631 177.300 0.115 0.000 1.154 37 P CA 2.012 65.162 63.100 0.085 0.000 0.865 37 P CB 0.118 31.901 31.700 0.138 0.000 0.789 38 K N -1.083 119.375 120.400 0.097 0.000 2.209 38 K HA -0.146 4.173 4.320 -0.000 0.000 0.204 38 K C 1.044 177.707 176.600 0.104 0.000 1.048 38 K CA 1.704 58.052 56.287 0.101 0.000 0.940 38 K CB -0.588 31.955 32.500 0.072 0.000 0.729 38 K HN 0.126 nan 8.250 nan 0.000 0.451 39 D N 0.994 121.446 120.400 0.086 0.000 2.323 39 D HA -0.054 4.586 4.640 -0.000 0.000 0.218 39 D C 1.994 178.352 176.300 0.096 0.000 0.973 39 D CA 1.296 55.344 54.000 0.080 0.000 0.890 39 D CB 0.521 41.356 40.800 0.058 0.000 1.011 39 D HN 0.287 nan 8.370 nan 0.000 0.499 40 V N -1.502 118.471 119.914 0.098 0.000 3.661 40 V HA 0.276 4.396 4.120 -0.000 0.000 0.271 40 V C 0.834 177.049 176.094 0.203 0.000 1.315 40 V CA -0.205 62.173 62.300 0.130 0.000 1.072 40 V CB -0.168 31.703 31.823 0.080 0.000 0.830 40 V HN -0.092 nan 8.190 nan 0.000 0.443 41 L N 2.430 123.757 121.223 0.172 0.000 2.397 41 L HA 0.545 4.885 4.340 -0.000 0.000 0.271 41 L C -0.087 176.811 176.870 0.047 0.000 1.148 41 L CA -0.179 54.750 54.840 0.149 0.000 0.825 41 L CB 0.932 43.120 42.059 0.214 0.000 1.117 41 L HN 0.537 nan 8.230 nan 0.000 0.456 42 F N -0.590 119.225 119.950 -0.226 0.000 2.715 42 F HA 0.656 5.183 4.527 -0.000 0.000 0.318 42 F C -0.707 174.923 175.800 -0.284 0.000 1.141 42 F CA -0.871 56.799 58.000 -0.551 0.000 0.950 42 F CB 1.602 40.423 39.000 -0.300 0.000 1.374 42 F HN 0.131 nan 8.300 nan 0.000 0.477 43 T N 1.533 116.067 114.554 -0.034 0.000 2.779 43 T HA 0.449 4.799 4.350 -0.000 0.000 0.280 43 T C -1.216 173.603 174.700 0.199 0.000 0.987 43 T CA -0.386 61.768 62.100 0.090 0.000 0.966 43 T CB 1.357 70.411 68.868 0.309 0.000 0.933 43 T HN 0.678 nan 8.240 nan 0.000 0.442 44 Q N 1.913 121.766 119.800 0.087 0.000 2.322 44 Q HA 0.530 4.870 4.340 -0.000 0.000 0.265 44 Q C -0.759 175.413 176.000 0.287 0.000 0.985 44 Q CA -0.293 55.631 55.803 0.201 0.000 0.849 44 Q CB 1.278 30.086 28.738 0.117 0.000 1.274 44 Q HN 0.579 nan 8.270 nan 0.000 0.449 45 S N 4.337 120.210 115.700 0.289 0.000 2.537 45 S HA 0.725 5.195 4.470 -0.000 0.000 0.275 45 S C -0.938 173.899 174.600 0.394 0.000 1.272 45 S CA -0.384 57.985 58.200 0.282 0.000 1.050 45 S CB -0.026 63.278 63.200 0.174 0.000 0.961 45 S HN 0.503 nan 8.310 nan 0.000 0.496 46 F N -0.033 119.994 119.950 0.128 0.000 2.662 46 F HA 0.689 5.216 4.527 -0.000 0.000 0.312 46 F C -0.655 175.189 175.800 0.073 0.000 1.113 46 F CA -1.210 56.863 58.000 0.122 0.000 0.951 46 F CB 1.146 40.265 39.000 0.199 0.000 1.344 46 F HN 0.315 nan 8.300 nan 0.000 0.462 47 E N 1.673 121.919 120.200 0.076 0.000 2.202 47 E HA 0.647 4.997 4.350 -0.000 0.000 0.272 47 E C -1.281 175.310 176.600 -0.014 0.000 0.951 47 E CA -0.947 55.416 56.400 -0.062 0.000 0.813 47 E CB 2.959 32.659 29.700 -0.001 0.000 1.151 47 E HN 0.559 nan 8.360 nan 0.000 0.398 48 I N 1.813 122.324 120.570 -0.099 0.000 2.478 48 I HA 0.107 4.277 4.170 -0.000 0.000 0.287 48 I C -0.809 175.282 176.117 -0.043 0.000 1.042 48 I CA -0.681 60.596 61.300 -0.037 0.000 1.067 48 I CB 1.785 39.744 38.000 -0.068 0.000 1.233 48 I HN 0.354 nan 8.210 nan 0.000 0.431 49 D N 6.067 126.461 120.400 -0.010 0.000 2.453 49 D HA 0.036 4.675 4.640 -0.000 0.000 0.223 49 D C 0.891 177.188 176.300 -0.006 0.000 1.183 49 D CA -0.165 53.828 54.000 -0.011 0.000 0.933 49 D CB 0.684 41.483 40.800 -0.001 0.000 1.038 49 D HN 0.502 nan 8.370 nan 0.000 0.513 50 D N 1.744 122.135 120.400 -0.015 0.000 2.371 50 D HA -0.139 4.501 4.640 -0.000 0.000 0.221 50 D C 0.318 176.618 176.300 -0.000 0.000 0.986 50 D CA 0.233 54.230 54.000 -0.006 0.000 0.899 50 D CB 0.295 41.089 40.800 -0.011 0.000 0.902 50 D HN 0.298 nan 8.370 nan 0.000 0.530 51 D N 0.111 120.510 120.400 -0.002 0.000 2.349 51 D HA -0.015 4.625 4.640 -0.000 0.000 0.215 51 D C 0.195 176.497 176.300 0.003 0.000 1.016 51 D CA 0.225 54.225 54.000 0.000 0.000 0.870 51 D CB -0.025 40.775 40.800 -0.001 0.000 0.917 51 D HN 0.165 nan 8.370 nan 0.000 0.524 52 N N 0.177 118.879 118.700 0.004 0.000 2.553 52 N HA 0.171 4.911 4.740 -0.000 0.000 0.298 52 N C -0.849 174.667 175.510 0.009 0.000 1.596 52 N CA -0.140 52.913 53.050 0.005 0.000 0.910 52 N CB 0.481 38.971 38.487 0.004 0.000 1.336 52 N HN -0.067 nan 8.380 nan 0.000 0.497 53 L N 1.152 122.382 121.223 0.011 0.000 2.410 53 L HA 0.381 4.721 4.340 -0.000 0.000 0.273 53 L C 0.892 177.771 176.870 0.015 0.000 1.144 53 L CA -0.544 54.306 54.840 0.017 0.000 0.863 53 L CB 0.689 42.760 42.059 0.019 0.000 1.140 53 L HN 0.223 nan 8.230 nan 0.000 0.463 54 A N 5.945 128.775 122.820 0.016 0.000 2.406 54 A HA 0.250 4.570 4.320 -0.000 0.000 0.243 54 A C -1.505 176.088 177.584 0.016 0.000 1.082 54 A CA -0.973 51.072 52.037 0.013 0.000 0.786 54 A CB -0.158 18.849 19.000 0.012 0.000 1.029 54 A HN 0.638 nan 8.150 nan 0.000 0.495 55 P HA -0.110 nan 4.420 nan 0.000 0.217 55 P C 0.553 177.863 177.300 0.018 0.000 1.148 55 P CA 1.380 64.487 63.100 0.013 0.000 0.828 55 P CB 0.126 31.831 31.700 0.009 0.000 0.783 56 N N -1.031 117.682 118.700 0.021 0.000 2.235 56 N HA 0.070 4.810 4.740 -0.000 0.000 0.209 56 N C 0.207 175.744 175.510 0.045 0.000 1.122 56 N CA 0.224 53.291 53.050 0.029 0.000 0.845 56 N CB 0.361 38.862 38.487 0.023 0.000 1.004 56 N HN 0.351 nan 8.380 nan 0.000 0.499 57 E N 0.579 120.806 120.200 0.046 0.000 2.283 57 E HA 0.398 4.748 4.350 -0.000 0.000 0.271 57 E C -0.299 176.342 176.600 0.069 0.000 1.031 57 E CA -0.675 55.765 56.400 0.066 0.000 0.868 57 E CB 2.176 31.909 29.700 0.055 0.000 1.094 57 E HN -0.050 nan 8.360 nan 0.000 0.401 58 V N -0.193 119.780 119.914 0.099 0.000 2.925 58 V HA 0.604 4.724 4.120 -0.000 0.000 0.311 58 V C -0.893 175.235 176.094 0.056 0.000 1.104 58 V CA -0.847 61.484 62.300 0.052 0.000 0.954 58 V CB 1.559 33.382 31.823 -0.001 0.000 1.022 58 V HN 0.555 nan 8.190 nan 0.000 0.427 59 I N 4.243 124.823 120.570 0.015 0.000 2.377 59 I HA 0.736 4.906 4.170 -0.000 0.000 0.293 59 I C -0.203 175.900 176.117 -0.022 0.000 0.987 59 I CA -0.972 60.351 61.300 0.038 0.000 1.185 59 I CB 1.972 40.004 38.000 0.053 0.000 1.341 59 I HN 0.811 nan 8.210 nan 0.000 0.455 60 V N 2.773 122.678 119.914 -0.015 0.000 2.914 60 V HA 0.646 4.766 4.120 -0.000 0.000 0.314 60 V C -0.777 175.389 176.094 0.122 0.000 1.084 60 V CA -0.888 61.382 62.300 -0.050 0.000 0.963 60 V CB 1.906 33.536 31.823 -0.321 0.000 1.025 60 V HN 0.776 nan 8.190 nan 0.000 0.432 61 K N 1.704 122.163 120.400 0.100 0.000 2.376 61 K HA 0.581 4.901 4.320 -0.000 0.000 0.257 61 K C -0.353 176.230 176.600 -0.028 0.000 0.939 61 K CA -0.352 55.910 56.287 -0.042 0.000 0.809 61 K CB 1.899 34.343 32.500 -0.093 0.000 1.121 61 K HN 0.948 nan 8.250 nan 0.000 0.425 62 T N 4.811 119.251 114.554 -0.190 0.000 2.916 62 T HA 0.118 4.468 4.350 -0.000 0.000 0.303 62 T C 1.280 175.752 174.700 -0.379 0.000 1.025 62 T CA -0.151 61.673 62.100 -0.460 0.000 1.142 62 T CB 0.608 68.958 68.868 -0.863 0.000 0.947 62 T HN 0.547 nan 8.240 nan 0.000 0.544 63 L N 1.543 122.562 121.223 -0.340 0.000 2.362 63 L HA 0.423 4.763 4.340 -0.000 0.000 0.204 63 L C 1.329 178.184 176.870 -0.025 0.000 1.060 63 L CA 0.088 54.823 54.840 -0.175 0.000 0.827 63 L CB 0.072 41.916 42.059 -0.360 0.000 1.027 63 L HN 0.801 nan 8.230 nan 0.000 0.474 64 G N -0.618 108.112 108.800 -0.117 0.000 2.702 64 G HA2 0.481 4.441 3.960 -0.000 0.000 0.296 64 G HA3 0.481 4.441 3.960 -0.000 0.000 0.296 64 G C -1.501 173.376 174.900 -0.039 0.000 1.463 64 G CA -0.153 44.948 45.100 0.003 0.000 0.890 64 G HN -0.039 nan 8.290 nan 0.000 0.534 65 S N 1.335 117.097 115.700 0.103 0.000 2.572 65 S HA 0.842 5.312 4.470 -0.000 0.000 0.274 65 S C -3.173 171.545 174.600 0.197 0.000 1.150 65 S CA -1.270 57.034 58.200 0.173 0.000 0.944 65 S CB 3.402 66.793 63.200 0.318 0.000 1.071 65 S HN 0.609 nan 8.310 nan 0.000 0.479 66 P HA 0.553 nan 4.420 nan 0.000 0.280 66 P C -0.885 176.614 177.300 0.332 0.000 1.272 66 P CA -0.882 62.328 63.100 0.183 0.000 0.819 66 P CB 0.827 32.626 31.700 0.165 0.000 1.122 67 I N 1.721 122.432 120.570 0.235 0.000 2.330 67 I HA 0.301 4.470 4.170 -0.000 0.000 0.289 67 I C 0.310 176.583 176.117 0.260 0.000 1.001 67 I CA -0.495 61.011 61.300 0.345 0.000 1.193 67 I CB 0.612 38.722 38.000 0.183 0.000 1.345 67 I HN 0.161 nan 8.210 nan 0.000 0.461 68 N N 7.568 126.435 118.700 0.278 0.000 2.404 68 N HA 0.380 5.120 4.740 -0.000 0.000 0.297 68 N C -1.932 173.656 175.510 0.130 0.000 1.163 68 N CA -1.934 51.224 53.050 0.180 0.000 0.864 68 N CB 1.509 40.095 38.487 0.165 0.000 1.247 68 N HN 0.145 nan 8.380 nan 0.000 0.510 69 P HA -0.182 nan 4.420 nan 0.000 0.216 69 P C 1.297 178.576 177.300 -0.034 0.000 1.153 69 P CA 1.848 64.980 63.100 0.052 0.000 0.858 69 P CB 0.178 31.917 31.700 0.064 0.000 0.789 70 S N -0.930 114.715 115.700 -0.091 0.000 2.383 70 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 70 S C 1.683 176.004 174.600 -0.464 0.000 1.030 70 S CA 1.584 59.525 58.200 -0.431 0.000 1.002 70 S CB -1.403 61.566 63.200 -0.385 0.000 0.829 70 S HN 0.114 nan 8.310 nan 0.000 0.467 71 D N 1.850 122.132 120.400 -0.197 0.000 2.117 71 D HA -0.001 4.639 4.640 -0.000 0.000 0.197 71 D C 1.961 178.159 176.300 -0.170 0.000 0.987 71 D CA 1.189 55.067 54.000 -0.203 0.000 0.829 71 D CB -0.365 40.387 40.800 -0.080 0.000 0.961 71 D HN 0.466 nan 8.370 nan 0.000 0.460 72 I N 0.982 121.531 120.570 -0.035 0.000 2.252 72 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 72 I C 1.837 177.917 176.117 -0.061 0.000 1.102 72 I CA 0.935 62.238 61.300 0.005 0.000 1.385 72 I CB -0.262 37.781 38.000 0.071 0.000 1.064 72 I HN -0.041 nan 8.210 nan 0.000 0.414 73 N N 0.063 118.706 118.700 -0.095 0.000 2.244 73 N HA -0.213 4.526 4.740 -0.000 0.000 0.183 73 N C 1.861 177.339 175.510 -0.053 0.000 1.016 73 N CA 0.610 53.624 53.050 -0.060 0.000 0.866 73 N CB -0.049 38.428 38.487 -0.017 0.000 0.980 73 N HN 0.380 nan 8.380 nan 0.000 0.430 74 Q N 0.862 120.587 119.800 -0.125 0.000 2.020 74 Q HA -0.121 4.218 4.340 -0.000 0.000 0.202 74 Q C 2.000 178.003 176.000 0.005 0.000 0.982 74 Q CA 1.220 57.018 55.803 -0.008 0.000 0.838 74 Q CB 0.021 28.723 28.738 -0.061 0.000 0.899 74 Q HN 0.421 nan 8.270 nan 0.000 0.423 75 I N 0.421 120.918 120.570 -0.122 0.000 2.226 75 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 75 I C 2.226 178.246 176.117 -0.162 0.000 1.100 75 I CA 1.229 62.317 61.300 -0.354 0.000 1.374 75 I CB -0.224 37.545 38.000 -0.386 0.000 1.057 75 I HN 0.272 nan 8.210 nan 0.000 0.413 76 Q N 0.483 120.219 119.800 -0.105 0.000 2.291 76 Q HA -0.065 4.275 4.340 -0.000 0.000 0.206 76 Q C 1.562 177.482 176.000 -0.134 0.000 0.976 76 Q CA 0.977 56.737 55.803 -0.072 0.000 0.875 76 Q CB 0.010 28.721 28.738 -0.045 0.000 0.927 76 Q HN 0.708 nan 8.270 nan 0.000 0.450 77 G N 0.342 108.937 108.800 -0.342 0.000 2.141 77 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.231 77 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.231 77 G C 0.516 175.241 174.900 -0.292 0.000 0.984 77 G CA 0.296 44.965 45.100 -0.719 0.000 0.660 77 G HN 0.502 nan 8.290 nan 0.000 0.525 78 V N -3.207 116.633 119.914 -0.124 0.000 3.176 78 V HA 0.695 4.815 4.120 -0.000 0.000 0.332 78 V C 0.082 176.200 176.094 0.040 0.000 1.414 78 V CA -0.427 61.849 62.300 -0.041 0.000 1.133 78 V CB -0.152 31.658 31.823 -0.021 0.000 1.088 78 V HN 0.645 nan 8.190 nan 0.000 0.473 79 Y N 2.839 123.084 120.300 -0.092 0.000 2.326 79 Y HA 0.725 5.275 4.550 -0.000 0.000 0.331 79 Y C -2.255 173.653 175.900 0.014 0.000 0.962 79 Y CA -2.194 55.881 58.100 -0.042 0.000 1.167 79 Y CB 2.890 41.354 38.460 0.006 0.000 1.148 79 Y HN 0.080 nan 8.280 nan 0.000 0.463 80 P HA 0.076 nan 4.420 nan 0.000 0.253 80 P C -0.600 176.765 177.300 0.108 0.000 1.508 80 P CA 0.348 63.440 63.100 -0.014 0.000 0.883 80 P CB 0.306 31.970 31.700 -0.059 0.000 1.519 81 S N 0.841 116.645 115.700 0.174 0.000 2.733 81 S HA 0.564 5.034 4.470 -0.000 0.000 0.294 81 S C -0.801 173.985 174.600 0.309 0.000 1.149 81 S CA -0.580 57.755 58.200 0.224 0.000 1.034 81 S CB 0.766 64.097 63.200 0.217 0.000 1.015 81 S HN 0.186 nan 8.310 nan 0.000 0.486 82 K N 3.311 123.832 120.400 0.203 0.000 2.551 82 K HA 0.666 4.986 4.320 -0.000 0.000 0.269 82 K C -3.299 173.369 176.600 0.113 0.000 0.949 82 K CA -2.098 54.306 56.287 0.194 0.000 0.849 82 K CB 1.262 33.911 32.500 0.248 0.000 1.411 82 K HN 0.328 nan 8.250 nan 0.000 0.432 83 P HA 0.082 nan 4.420 nan 0.000 0.271 83 P C -0.528 176.769 177.300 -0.006 0.000 1.216 83 P CA -0.226 62.879 63.100 0.008 0.000 0.776 83 P CB 0.883 32.558 31.700 -0.042 0.000 0.881 84 A N 3.922 126.727 122.820 -0.025 0.000 2.498 84 A HA 0.080 4.400 4.320 -0.000 0.000 0.239 84 A C 0.390 177.925 177.584 -0.082 0.000 1.068 84 A CA -0.163 51.852 52.037 -0.036 0.000 0.766 84 A CB -0.327 18.650 19.000 -0.038 0.000 1.003 84 A HN 0.455 nan 8.150 nan 0.000 0.497 85 K N 1.465 121.809 120.400 -0.094 0.000 2.416 85 K HA 0.313 4.633 4.320 -0.000 0.000 0.283 85 K C 0.473 177.024 176.600 -0.083 0.000 1.037 85 K CA 0.598 56.808 56.287 -0.128 0.000 0.995 85 K CB 0.403 32.828 32.500 -0.125 0.000 0.938 85 K HN 0.885 nan 8.250 nan 0.000 0.475 86 T N -1.975 112.534 114.554 -0.075 0.000 2.887 86 T HA 0.210 4.560 4.350 -0.000 0.000 0.292 86 T C 0.855 175.531 174.700 -0.040 0.000 1.087 86 T CA -0.821 61.239 62.100 -0.066 0.000 1.009 86 T CB 1.547 70.354 68.868 -0.102 0.000 1.203 86 T HN 0.519 nan 8.240 nan 0.000 0.518 87 T N -2.125 112.399 114.554 -0.050 0.000 3.188 87 T HA 0.275 4.625 4.350 -0.000 0.000 0.250 87 T C 2.067 176.723 174.700 -0.073 0.000 1.077 87 T CA 0.464 62.545 62.100 -0.030 0.000 0.967 87 T CB -0.717 68.135 68.868 -0.026 0.000 1.006 87 T HN 0.898 nan 8.240 nan 0.000 0.552 88 G N 1.022 109.719 108.800 -0.171 0.000 2.462 88 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.220 88 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.220 88 G C 0.736 175.338 174.900 -0.497 0.000 1.121 88 G CA 0.228 45.113 45.100 -0.359 0.000 0.758 88 G HN 0.616 nan 8.290 nan 0.000 0.559 89 F N 0.450 120.276 119.950 -0.207 0.000 2.732 89 F HA 0.355 4.882 4.527 -0.000 0.000 0.303 89 F C 1.860 177.622 175.800 -0.065 0.000 1.110 89 F CA 0.289 58.133 58.000 -0.261 0.000 1.355 89 F CB 0.470 39.244 39.000 -0.376 0.000 1.081 89 F HN 0.209 nan 8.300 nan 0.000 0.565 90 G N 1.176 110.021 108.800 0.074 0.000 2.137 90 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.237 90 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.237 90 G C 0.279 175.236 174.900 0.095 0.000 1.002 90 G CA 0.231 45.380 45.100 0.083 0.000 0.702 90 G HN 0.424 nan 8.290 nan 0.000 0.515 91 T N -2.792 111.823 114.554 0.101 0.000 2.816 91 T HA 0.730 5.080 4.350 -0.000 0.000 0.282 91 T C 1.679 176.405 174.700 0.043 0.000 0.993 91 T CA 0.387 62.543 62.100 0.094 0.000 0.994 91 T CB 1.846 70.796 68.868 0.137 0.000 1.025 91 T HN 1.272 nan 8.240 nan 0.000 0.529 92 A N 0.469 123.300 122.820 0.018 0.000 1.970 92 A HA 0.164 4.483 4.320 -0.000 0.000 0.216 92 A C 0.902 178.483 177.584 -0.005 0.000 1.170 92 A CA 0.546 52.581 52.037 -0.003 0.000 0.645 92 A CB -0.400 18.586 19.000 -0.024 0.000 0.816 92 A HN 0.886 nan 8.150 nan 0.000 0.447 93 E N -0.665 119.535 120.200 -0.001 0.000 2.336 93 E HA 0.418 4.768 4.350 -0.000 0.000 0.267 93 E C -2.889 173.716 176.600 0.009 0.000 0.906 93 E CA -2.786 53.612 56.400 -0.002 0.000 0.781 93 E CB 0.971 30.664 29.700 -0.011 0.000 1.261 93 E HN -0.051 nan 8.360 nan 0.000 0.436 94 P HA 0.055 nan 4.420 nan 0.000 0.265 94 P C -1.390 175.888 177.300 -0.037 0.000 1.193 94 P CA 0.361 63.448 63.100 -0.023 0.000 0.765 94 P CB 0.536 32.215 31.700 -0.035 0.000 0.823 95 A N 2.522 125.308 122.820 -0.058 0.000 2.515 95 A HA 0.776 5.096 4.320 -0.000 0.000 0.298 95 A C -1.087 176.333 177.584 -0.274 0.000 1.059 95 A CA -0.637 51.314 52.037 -0.144 0.000 0.698 95 A CB 1.681 20.669 19.000 -0.020 0.000 1.289 95 A HN 0.482 nan 8.150 nan 0.000 0.404 96 A N 2.800 125.259 122.820 -0.603 0.000 2.324 96 A HA 0.919 5.239 4.320 -0.000 0.000 0.330 96 A C -2.625 174.551 177.584 -0.680 0.000 1.165 96 A CA -1.811 49.840 52.037 -0.643 0.000 0.813 96 A CB 0.749 19.253 19.000 -0.827 0.000 1.197 96 A HN 0.587 nan 8.150 nan 0.000 0.484 97 P HA 0.538 nan 4.420 nan 0.000 0.293 97 P C -0.772 176.345 177.300 -0.305 0.000 1.304 97 P CA -0.438 62.413 63.100 -0.414 0.000 0.767 97 P CB 0.834 32.352 31.700 -0.302 0.000 1.247 98 C N -1.832 117.250 119.300 -0.363 0.000 2.797 98 C HA 0.878 5.338 4.460 -0.000 0.000 0.306 98 C C 0.218 174.617 174.990 -0.984 0.000 1.207 98 C CA 0.297 58.944 59.018 -0.619 0.000 1.507 98 C CB 0.666 27.960 27.740 -0.743 0.000 2.028 98 C HN 0.996 nan 8.230 nan 0.000 0.475 99 G N 2.829 110.950 108.800 -1.132 0.000 2.907 99 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.686 99 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.686 99 G C -0.367 174.394 174.900 -0.231 0.000 1.115 99 G CA -0.406 44.156 45.100 -0.896 0.000 0.760 99 G HN 0.784 nan 8.290 nan 0.000 0.620 100 N N 0.212 118.885 118.700 -0.045 0.000 2.273 100 N HA 0.068 4.808 4.740 -0.000 0.000 0.192 100 N C 0.741 176.346 175.510 0.159 0.000 1.132 100 N CA 1.090 54.186 53.050 0.077 0.000 0.887 100 N CB 1.067 39.595 38.487 0.067 0.000 1.048 100 N HN 0.937 nan 8.380 nan 0.000 0.490 101 E N -0.218 120.093 120.200 0.186 0.000 2.312 101 E HA 0.709 5.059 4.350 -0.000 0.000 0.267 101 E C -0.636 176.097 176.600 0.222 0.000 0.894 101 E CA -1.093 55.427 56.400 0.201 0.000 0.773 101 E CB 2.745 32.542 29.700 0.163 0.000 1.241 101 E HN -0.050 nan 8.360 nan 0.000 0.432 102 G N 0.851 109.756 108.800 0.176 0.000 2.411 102 G HA2 0.383 4.343 3.960 -0.000 0.000 0.295 102 G HA3 0.383 4.343 3.960 -0.000 0.000 0.295 102 G C -2.236 172.612 174.900 -0.087 0.000 1.542 102 G CA -0.908 44.190 45.100 -0.002 0.000 0.814 102 G HN 0.460 nan 8.290 nan 0.000 0.557 103 L N 0.368 121.382 121.223 -0.348 0.000 2.322 103 L HA 0.946 5.286 4.340 -0.000 0.000 0.281 103 L C -1.361 175.150 176.870 -0.598 0.000 1.014 103 L CA -0.832 53.806 54.840 -0.336 0.000 0.815 103 L CB 0.971 42.788 42.059 -0.404 0.000 1.247 103 L HN 0.428 nan 8.230 nan 0.000 0.421 104 F N 1.979 121.804 119.950 -0.209 0.000 2.603 104 F HA 0.537 5.064 4.527 -0.000 0.000 0.317 104 F C -0.226 175.438 175.800 -0.226 0.000 1.066 104 F CA -0.749 57.132 58.000 -0.198 0.000 0.941 104 F CB 1.719 40.641 39.000 -0.132 0.000 1.291 104 F HN 0.426 nan 8.300 nan 0.000 0.472 105 E N 1.038 121.259 120.200 0.034 0.000 2.171 105 E HA 0.563 4.913 4.350 -0.000 0.000 0.271 105 E C -1.501 175.121 176.600 0.037 0.000 0.916 105 E CA -0.700 55.742 56.400 0.071 0.000 0.774 105 E CB 1.848 31.601 29.700 0.089 0.000 1.128 105 E HN 0.449 nan 8.360 nan 0.000 0.403 106 V N 6.373 126.298 119.914 0.019 0.000 2.555 106 V HA -0.001 4.119 4.120 -0.000 0.000 0.286 106 V C 1.026 177.124 176.094 0.005 0.000 1.044 106 V CA -0.029 62.242 62.300 -0.048 0.000 1.026 106 V CB 0.920 32.705 31.823 -0.064 0.000 0.981 106 V HN 0.781 nan 8.190 nan 0.000 0.480 107 I N 3.046 123.618 120.570 0.004 0.000 3.039 107 I HA 0.276 4.446 4.170 -0.000 0.000 0.270 107 I C 0.789 176.920 176.117 0.022 0.000 1.150 107 I CA 0.962 62.282 61.300 0.034 0.000 1.448 107 I CB -0.110 37.930 38.000 0.066 0.000 1.197 107 I HN 0.604 nan 8.210 nan 0.000 0.450 108 K N 0.685 121.091 120.400 0.010 0.000 2.562 108 K HA 0.508 4.827 4.320 -0.000 0.000 0.267 108 K C -1.398 175.204 176.600 0.003 0.000 0.938 108 K CA -0.416 55.877 56.287 0.009 0.000 0.840 108 K CB 2.833 35.343 32.500 0.015 0.000 1.390 108 K HN -0.150 nan 8.250 nan 0.000 0.428 109 V N -0.141 119.777 119.914 0.006 0.000 2.823 109 V HA 0.866 4.985 4.120 -0.000 0.000 0.312 109 V C 0.180 176.282 176.094 0.013 0.000 1.072 109 V CA -0.385 61.920 62.300 0.008 0.000 0.937 109 V CB 1.511 33.336 31.823 0.004 0.000 1.013 109 V HN 0.822 nan 8.190 nan 0.000 0.430 110 G N 1.773 110.584 108.800 0.018 0.000 2.653 110 G HA2 0.373 4.333 3.960 -0.000 0.000 0.265 110 G HA3 0.373 4.333 3.960 -0.000 0.000 0.265 110 G C 1.014 175.921 174.900 0.013 0.000 1.237 110 G CA 0.110 45.220 45.100 0.016 0.000 0.946 110 G HN 1.662 nan 8.290 nan 0.000 0.522 111 S N -0.984 114.722 115.700 0.010 0.000 2.447 111 S HA -0.124 4.346 4.470 -0.000 0.000 0.233 111 S C 1.585 176.190 174.600 0.007 0.000 1.006 111 S CA 1.190 59.394 58.200 0.008 0.000 0.957 111 S CB -0.083 63.121 63.200 0.006 0.000 0.773 111 S HN 0.537 nan 8.310 nan 0.000 0.507 112 N N 0.687 119.393 118.700 0.009 0.000 2.230 112 N HA 0.178 4.917 4.740 -0.000 0.000 0.202 112 N C -0.770 174.746 175.510 0.010 0.000 1.119 112 N CA -0.098 52.957 53.050 0.008 0.000 0.851 112 N CB 0.445 38.937 38.487 0.008 0.000 0.990 112 N HN 0.194 nan 8.380 nan 0.000 0.497 113 V N 1.496 121.417 119.914 0.012 0.000 2.408 113 V HA 0.163 4.282 4.120 -0.000 0.000 0.267 113 V C 1.006 177.106 176.094 0.010 0.000 1.047 113 V CA 0.041 62.350 62.300 0.015 0.000 0.937 113 V CB 1.124 32.958 31.823 0.019 0.000 0.999 113 V HN 0.406 nan 8.190 nan 0.000 0.472 114 S N 1.734 117.439 115.700 0.009 0.000 2.520 114 S HA -0.036 4.433 4.470 -0.000 0.000 0.219 114 S C 1.743 176.345 174.600 0.004 0.000 1.028 114 S CA 0.404 58.607 58.200 0.005 0.000 0.921 114 S CB 0.190 63.391 63.200 0.003 0.000 0.844 114 S HN 0.768 nan 8.310 nan 0.000 0.495 115 S N 1.336 117.041 115.700 0.008 0.000 2.489 115 S HA 0.344 4.813 4.470 -0.000 0.000 0.228 115 S C 0.448 175.053 174.600 0.009 0.000 0.995 115 S CA -0.221 57.984 58.200 0.009 0.000 0.934 115 S CB -0.504 62.704 63.200 0.014 0.000 0.771 115 S HN 0.500 nan 8.310 nan 0.000 0.522 116 L N 1.302 122.529 121.223 0.008 0.000 2.371 116 L HA 0.650 4.990 4.340 -0.000 0.000 0.262 116 L C -0.703 176.166 176.870 -0.003 0.000 1.006 116 L CA -0.770 54.070 54.840 0.000 0.000 0.818 116 L CB 2.291 44.344 42.059 -0.010 0.000 1.354 116 L HN 0.378 nan 8.230 nan 0.000 0.415 117 E N 1.218 121.415 120.200 -0.004 0.000 2.449 117 E HA 0.701 5.051 4.350 -0.000 0.000 0.278 117 E C -1.166 175.435 176.600 0.001 0.000 0.992 117 E CA -1.163 55.235 56.400 -0.002 0.000 0.807 117 E CB 1.858 31.558 29.700 -0.001 0.000 1.350 117 E HN 0.555 nan 8.360 nan 0.000 0.462 118 A N 0.317 123.141 122.820 0.005 0.000 2.567 118 A HA 0.410 4.730 4.320 -0.000 0.000 0.240 118 A C 1.248 178.847 177.584 0.025 0.000 1.053 118 A CA 1.110 53.156 52.037 0.015 0.000 0.755 118 A CB -1.010 18.000 19.000 0.016 0.000 0.978 118 A HN 1.442 nan 8.150 nan 0.000 0.507 119 G N 2.138 110.968 108.800 0.049 0.000 2.232 119 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.226 119 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.226 119 G C -0.015 174.944 174.900 0.099 0.000 0.996 119 G CA 0.224 45.366 45.100 0.070 0.000 0.626 119 G HN 0.810 nan 8.290 nan 0.000 0.509 120 D N 0.056 120.503 120.400 0.079 0.000 2.382 120 D HA 0.380 5.020 4.640 -0.000 0.000 0.240 120 D C 0.262 176.730 176.300 0.280 0.000 1.146 120 D CA 0.145 54.206 54.000 0.101 0.000 0.897 120 D CB 0.379 41.209 40.800 0.050 0.000 1.197 120 D HN 0.181 nan 8.370 nan 0.000 0.432 121 W N 1.377 122.670 121.300 -0.013 0.000 2.365 121 W HA 0.422 5.082 4.660 -0.000 0.000 0.316 121 W C -0.036 176.486 176.519 0.006 0.000 1.164 121 W CA -0.861 56.486 57.345 0.003 0.000 1.204 121 W CB 0.490 29.956 29.460 0.010 0.000 1.213 121 W HN 0.019 nan 8.180 nan 0.000 0.539 122 V N 2.835 122.861 119.914 0.187 0.000 3.049 122 V HA 0.726 4.846 4.120 -0.000 0.000 0.309 122 V C -0.516 175.709 176.094 0.219 0.000 1.148 122 V CA -1.481 60.905 62.300 0.144 0.000 0.990 122 V CB 1.608 33.436 31.823 0.009 0.000 1.039 122 V HN 0.489 nan 8.190 nan 0.000 0.430 123 I N -0.844 119.851 120.570 0.208 0.000 2.863 123 I HA 0.835 5.005 4.170 -0.000 0.000 0.311 123 I C -2.696 173.518 176.117 0.161 0.000 1.026 123 I CA -2.859 58.583 61.300 0.236 0.000 1.077 123 I CB 2.084 40.164 38.000 0.133 0.000 1.262 123 I HN 0.385 nan 8.210 nan 0.000 0.461 124 P HA 0.069 nan 4.420 nan 0.000 0.268 124 P C 0.474 177.607 177.300 -0.279 0.000 1.205 124 P CA -0.140 62.764 63.100 -0.326 0.000 0.771 124 P CB 0.895 32.422 31.700 -0.288 0.000 0.858 125 S N 1.482 116.908 115.700 -0.457 0.000 2.453 125 S HA -0.053 4.417 4.470 -0.000 0.000 0.231 125 S C 0.637 174.804 174.600 -0.723 0.000 1.005 125 S CA 0.796 58.670 58.200 -0.542 0.000 0.949 125 S CB -0.639 62.180 63.200 -0.635 0.000 0.774 125 S HN 0.478 nan 8.310 nan 0.000 0.510 126 H N 0.331 119.309 119.070 -0.154 0.000 2.894 126 H HA 0.556 5.112 4.556 -0.000 0.000 0.368 126 H C 0.117 175.432 175.328 -0.022 0.000 1.181 126 H CA -0.644 55.355 56.048 -0.082 0.000 1.146 126 H CB 1.620 31.337 29.762 -0.075 0.000 1.839 126 H HN 0.169 nan 8.280 nan 0.000 0.557 127 V N -0.294 119.695 119.914 0.126 0.000 3.441 127 V HA 0.104 4.224 4.120 -0.000 0.000 0.300 127 V C 0.671 176.844 176.094 0.132 0.000 1.091 127 V CA -0.716 61.649 62.300 0.107 0.000 1.099 127 V CB 0.191 32.057 31.823 0.072 0.000 1.138 127 V HN 0.958 nan 8.190 nan 0.000 0.471 128 N N -1.332 117.438 118.700 0.117 0.000 2.782 128 N HA -0.254 4.486 4.740 -0.000 0.000 0.251 128 N C -0.013 175.556 175.510 0.098 0.000 1.101 128 N CA 1.427 54.529 53.050 0.086 0.000 0.764 128 N CB -1.722 36.804 38.487 0.065 0.000 1.122 128 N HN 0.916 nan 8.380 nan 0.000 0.561 129 F N 0.899 120.846 119.950 -0.004 0.000 2.293 129 F HA 0.226 4.752 4.527 -0.000 0.000 0.297 129 F C 1.493 177.299 175.800 0.010 0.000 1.089 129 F CA 1.797 59.788 58.000 -0.015 0.000 1.377 129 F CB 0.007 38.992 39.000 -0.024 0.000 1.051 129 F HN 0.257 nan 8.300 nan 0.000 0.511 130 G N 0.609 109.408 108.800 -0.002 0.000 3.110 130 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.506 130 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.506 130 G C 0.371 175.340 174.900 0.114 0.000 1.077 130 G CA 0.136 45.178 45.100 -0.096 0.000 0.960 130 G HN 0.656 nan 8.290 nan 0.000 0.434 131 T N -2.184 112.482 114.554 0.187 0.000 3.054 131 T HA 0.234 4.583 4.350 -0.000 0.000 0.255 131 T C 0.419 175.383 174.700 0.440 0.000 1.035 131 T CA 0.134 62.506 62.100 0.453 0.000 0.941 131 T CB 0.242 69.385 68.868 0.460 0.000 1.026 131 T HN 0.553 nan 8.240 nan 0.000 0.533 132 W N 4.743 126.008 121.300 -0.057 0.000 1.912 132 W HA 0.585 5.245 4.660 -0.000 0.000 0.399 132 W C 0.635 177.086 176.519 -0.113 0.000 0.800 132 W CA -1.686 55.501 57.345 -0.263 0.000 1.593 132 W CB -0.927 28.021 29.460 -0.854 0.000 1.769 132 W HN 0.451 nan 8.180 nan 0.000 0.281 133 R N -1.484 119.153 120.500 0.230 0.000 2.741 133 R HA 0.389 4.729 4.340 -0.000 0.000 0.276 133 R C 0.649 176.899 176.300 -0.082 0.000 1.028 133 R CA -0.308 55.878 56.100 0.144 0.000 0.865 133 R CB 0.464 30.885 30.300 0.202 0.000 1.268 133 R HN -0.048 nan 8.270 nan 0.000 0.475 134 T N -3.268 111.268 114.554 -0.031 0.000 3.035 134 T HA 0.214 4.563 4.350 -0.000 0.000 0.259 134 T C 0.098 174.586 174.700 -0.355 0.000 1.078 134 T CA 0.808 62.734 62.100 -0.291 0.000 1.132 134 T CB -0.335 68.548 68.868 0.024 0.000 0.900 134 T HN 0.644 nan 8.240 nan 0.000 0.480 135 H N -0.218 118.921 119.070 0.116 0.000 3.017 135 H HA 0.763 5.319 4.556 -0.000 0.000 0.346 135 H C -1.059 174.451 175.328 0.303 0.000 1.286 135 H CA -0.502 55.646 56.048 0.167 0.000 1.120 135 H CB 1.909 31.704 29.762 0.056 0.000 1.860 135 H HN 0.443 nan 8.280 nan 0.000 0.542 136 A N 1.270 124.330 122.820 0.400 0.000 2.547 136 A HA 0.561 4.880 4.320 -0.000 0.000 0.297 136 A C -1.998 175.766 177.584 0.301 0.000 1.056 136 A CA -0.572 51.685 52.037 0.367 0.000 0.688 136 A CB 1.385 20.617 19.000 0.388 0.000 1.282 136 A HN 0.492 nan 8.150 nan 0.000 0.400 137 L N 1.817 123.201 121.223 0.268 0.000 2.296 137 L HA 0.899 5.239 4.340 -0.000 0.000 0.286 137 L C 0.275 177.296 176.870 0.251 0.000 1.023 137 L CA 0.717 55.683 54.840 0.211 0.000 0.812 137 L CB 1.378 43.519 42.059 0.136 0.000 1.223 137 L HN 1.212 nan 8.230 nan 0.000 0.421 138 G N 3.102 112.088 108.800 0.309 0.000 2.749 138 G HA2 0.317 4.277 3.960 -0.000 0.000 0.300 138 G HA3 0.317 4.277 3.960 -0.000 0.000 0.300 138 G C -1.370 173.656 174.900 0.210 0.000 1.352 138 G CA -0.937 44.319 45.100 0.261 0.000 0.789 138 G HN 0.535 nan 8.290 nan 0.000 0.509 139 N N 0.698 119.465 118.700 0.111 0.000 2.515 139 N HA 0.166 4.906 4.740 -0.000 0.000 0.279 139 N C 0.831 176.426 175.510 0.141 0.000 1.164 139 N CA -0.074 53.031 53.050 0.092 0.000 0.982 139 N CB 1.623 40.130 38.487 0.033 0.000 1.170 139 N HN 0.668 nan 8.380 nan 0.000 0.474 140 D N 0.135 120.617 120.400 0.137 0.000 2.190 140 D HA -0.228 4.412 4.640 -0.000 0.000 0.200 140 D C 0.609 176.981 176.300 0.120 0.000 0.992 140 D CA 1.298 55.395 54.000 0.162 0.000 0.854 140 D CB -0.281 40.570 40.800 0.086 0.000 0.936 140 D HN 0.627 nan 8.370 nan 0.000 0.462 141 D N -0.382 120.038 120.400 0.034 0.000 2.340 141 D HA -0.079 4.561 4.640 -0.000 0.000 0.220 141 D C 0.600 176.822 176.300 -0.130 0.000 1.039 141 D CA 0.032 54.019 54.000 -0.023 0.000 0.866 141 D CB -0.290 40.508 40.800 -0.003 0.000 0.913 141 D HN 0.045 nan 8.370 nan 0.000 0.523 142 D N -0.532 119.698 120.400 -0.284 0.000 2.363 142 D HA 0.055 4.695 4.640 -0.000 0.000 0.226 142 D C -0.313 175.280 176.300 -1.178 0.000 1.020 142 D CA 0.370 53.961 54.000 -0.682 0.000 0.892 142 D CB 0.100 40.372 40.800 -0.880 0.000 0.900 142 D HN 0.284 nan 8.370 nan 0.000 0.531 143 F N -0.194 119.602 119.950 -0.257 0.000 2.588 143 F HA 0.484 5.010 4.527 -0.000 0.000 0.314 143 F C 0.075 175.775 175.800 -0.167 0.000 1.069 143 F CA -1.108 56.742 58.000 -0.250 0.000 0.931 143 F CB 1.939 40.812 39.000 -0.210 0.000 1.260 143 F HN -0.399 nan 8.300 nan 0.000 0.465 144 I N 1.964 122.575 120.570 0.070 0.000 2.406 144 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 144 I C -0.401 175.758 176.117 0.070 0.000 0.999 144 I CA -0.909 60.408 61.300 0.028 0.000 1.124 144 I CB 1.994 39.977 38.000 -0.028 0.000 1.289 144 I HN 0.512 nan 8.210 nan 0.000 0.441 145 K N 5.767 126.200 120.400 0.055 0.000 2.322 145 K HA 0.429 4.748 4.320 -0.000 0.000 0.283 145 K C -1.272 175.374 176.600 0.076 0.000 1.042 145 K CA -0.365 55.963 56.287 0.068 0.000 0.958 145 K CB 0.709 33.234 32.500 0.042 0.000 0.984 145 K HN 0.354 nan 8.250 nan 0.000 0.473 146 L N 6.211 127.512 121.223 0.129 0.000 2.330 146 L HA 0.499 4.839 4.340 -0.000 0.000 0.271 146 L C -2.195 174.743 176.870 0.113 0.000 1.013 146 L CA -2.310 52.614 54.840 0.140 0.000 0.816 146 L CB 1.532 43.732 42.059 0.234 0.000 1.287 146 L HN 0.672 nan 8.230 nan 0.000 0.435 147 P HA 0.141 nan 4.420 nan 0.000 0.276 147 P C -1.150 176.036 177.300 -0.190 0.000 1.235 147 P CA -0.419 62.648 63.100 -0.056 0.000 0.772 147 P CB 0.424 32.093 31.700 -0.051 0.000 0.871 148 N N 4.146 122.581 118.700 -0.443 0.000 2.445 148 N HA 0.168 4.908 4.740 -0.000 0.000 0.264 148 N C -2.001 173.081 175.510 -0.714 0.000 1.227 148 N CA -2.041 50.340 53.050 -1.116 0.000 0.963 148 N CB -0.956 36.693 38.487 -1.396 0.000 1.188 148 N HN 0.105 nan 8.380 nan 0.000 0.491 149 P HA -0.138 nan 4.420 nan 0.000 0.216 149 P C 0.983 178.139 177.300 -0.240 0.000 1.150 149 P CA 2.305 65.187 63.100 -0.364 0.000 0.837 149 P CB -0.132 31.405 31.700 -0.272 0.000 0.786 150 A N -0.552 122.121 122.820 -0.245 0.000 1.933 150 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 150 A C 2.232 179.736 177.584 -0.133 0.000 1.175 150 A CA 1.689 53.634 52.037 -0.153 0.000 0.628 150 A CB -1.247 17.673 19.000 -0.133 0.000 0.814 150 A HN 0.210 nan 8.150 nan 0.000 0.444 151 Q N -0.639 119.061 119.800 -0.166 0.000 2.123 151 Q HA -0.061 4.278 4.340 -0.000 0.000 0.199 151 Q C 2.443 178.385 176.000 -0.096 0.000 0.966 151 Q CA 1.488 57.218 55.803 -0.121 0.000 0.845 151 Q CB -0.102 28.559 28.738 -0.129 0.000 0.907 151 Q HN 0.633 nan 8.270 nan 0.000 0.439 152 S N 0.865 116.499 115.700 -0.111 0.000 2.368 152 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 152 S C 1.768 176.337 174.600 -0.052 0.000 1.030 152 S CA 1.258 59.416 58.200 -0.070 0.000 0.999 152 S CB -0.149 63.011 63.200 -0.067 0.000 0.844 152 S HN 0.271 nan 8.310 nan 0.000 0.459 153 K N 1.342 121.704 120.400 -0.063 0.000 2.026 153 K HA -0.056 4.264 4.320 -0.000 0.000 0.208 153 K C 2.164 178.741 176.600 -0.037 0.000 1.048 153 K CA 1.255 57.515 56.287 -0.045 0.000 0.929 153 K CB -0.351 32.118 32.500 -0.051 0.000 0.713 153 K HN 0.301 nan 8.250 nan 0.000 0.439 154 A N 0.965 123.758 122.820 -0.045 0.000 2.067 154 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 154 A C 1.310 178.876 177.584 -0.030 0.000 1.158 154 A CA 1.525 53.540 52.037 -0.036 0.000 0.661 154 A CB -0.548 18.428 19.000 -0.041 0.000 0.801 154 A HN 0.527 nan 8.150 nan 0.000 0.452 155 N N -0.954 117.727 118.700 -0.032 0.000 2.383 155 N HA 0.267 5.006 4.740 -0.000 0.000 0.192 155 N C 0.939 176.440 175.510 -0.015 0.000 1.141 155 N CA 0.358 53.394 53.050 -0.024 0.000 0.851 155 N CB 0.132 38.603 38.487 -0.026 0.000 0.976 155 N HN 0.574 nan 8.380 nan 0.000 0.465 156 G N 0.977 109.768 108.800 -0.015 0.000 2.148 156 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.254 156 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.254 156 G C -0.128 174.771 174.900 -0.002 0.000 0.981 156 G CA -0.034 45.062 45.100 -0.008 0.000 0.670 156 G HN 0.115 nan 8.290 nan 0.000 0.528 157 K N 0.411 120.810 120.400 -0.002 0.000 2.270 157 K HA 0.333 4.652 4.320 -0.000 0.000 0.276 157 K C -1.083 175.524 176.600 0.012 0.000 1.023 157 K CA -1.545 54.748 56.287 0.011 0.000 0.955 157 K CB 1.402 33.910 32.500 0.013 0.000 0.975 157 K HN 0.118 nan 8.250 nan 0.000 0.471 158 P HA -0.062 nan 4.420 nan 0.000 0.233 158 P C -0.540 176.776 177.300 0.026 0.000 1.167 158 P CA 0.798 63.911 63.100 0.022 0.000 0.770 158 P CB 0.523 32.240 31.700 0.027 0.000 0.837 159 N N -0.754 117.967 118.700 0.035 0.000 2.329 159 N HA 0.417 5.157 4.740 -0.000 0.000 0.282 159 N C -0.309 175.217 175.510 0.027 0.000 1.198 159 N CA -0.439 52.634 53.050 0.038 0.000 0.790 159 N CB 2.394 40.923 38.487 0.070 0.000 1.579 159 N HN -0.120 nan 8.380 nan 0.000 0.475 160 G N 0.181 108.986 108.800 0.007 0.000 2.471 160 G HA2 0.589 4.549 3.960 -0.000 0.000 0.332 160 G HA3 0.589 4.549 3.960 -0.000 0.000 0.332 160 G C -0.489 174.421 174.900 0.017 0.000 1.176 160 G CA -0.410 44.679 45.100 -0.019 0.000 0.949 160 G HN 0.273 nan 8.290 nan 0.000 0.488 161 L N 1.000 122.241 121.223 0.030 0.000 2.426 161 L HA 0.312 4.651 4.340 -0.000 0.000 0.271 161 L C 1.609 178.569 176.870 0.150 0.000 1.169 161 L CA 0.023 54.907 54.840 0.073 0.000 0.836 161 L CB 1.074 43.240 42.059 0.178 0.000 1.112 161 L HN 0.743 nan 8.230 nan 0.000 0.465 162 T N -0.435 114.152 114.554 0.056 0.000 2.816 162 T HA 0.354 4.704 4.350 -0.000 0.000 0.282 162 T C 1.526 176.291 174.700 0.108 0.000 0.993 162 T CA -0.537 61.625 62.100 0.104 0.000 0.994 162 T CB 0.505 69.379 68.868 0.009 0.000 1.025 162 T HN 0.403 nan 8.240 nan 0.000 0.529 163 I N 1.067 121.667 120.570 0.049 0.000 2.163 163 I HA -0.173 3.997 4.170 -0.000 0.000 0.243 163 I C 2.818 178.861 176.117 -0.124 0.000 1.085 163 I CA 1.788 63.000 61.300 -0.147 0.000 1.347 163 I CB -0.574 37.343 38.000 -0.138 0.000 1.044 163 I HN 0.749 nan 8.210 nan 0.000 0.408 164 N N 0.657 119.317 118.700 -0.067 0.000 2.104 164 N HA -0.247 4.493 4.740 -0.000 0.000 0.190 164 N C 1.878 177.360 175.510 -0.047 0.000 1.024 164 N CA 1.644 54.667 53.050 -0.045 0.000 0.853 164 N CB -0.053 38.422 38.487 -0.019 0.000 1.008 164 N HN 0.329 nan 8.380 nan 0.000 0.424 165 Q N -0.935 118.793 119.800 -0.120 0.000 2.061 165 Q HA -0.066 4.274 4.340 -0.000 0.000 0.204 165 Q C 2.144 178.085 176.000 -0.099 0.000 0.984 165 Q CA 1.521 57.166 55.803 -0.264 0.000 0.846 165 Q CB -0.439 27.861 28.738 -0.730 0.000 0.902 165 Q HN 0.532 nan 8.270 nan 0.000 0.421 166 G N 0.466 109.234 108.800 -0.055 0.000 2.418 166 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 166 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 166 G C 1.433 176.322 174.900 -0.018 0.000 1.158 166 G CA 0.781 45.882 45.100 0.002 0.000 0.771 166 G HN 0.423 nan 8.290 nan 0.000 0.545 167 A N 0.291 123.074 122.820 -0.061 0.000 2.067 167 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 167 A C 2.279 179.891 177.584 0.047 0.000 1.156 167 A CA 2.129 54.144 52.037 -0.038 0.000 0.683 167 A CB -0.360 18.596 19.000 -0.072 0.000 0.808 167 A HN 0.521 nan 8.150 nan 0.000 0.455 168 T N -3.650 110.949 114.554 0.075 0.000 3.129 168 T HA 0.329 4.679 4.350 -0.000 0.000 0.267 168 T C 1.231 176.016 174.700 0.142 0.000 1.018 168 T CA 0.120 62.299 62.100 0.132 0.000 0.903 168 T CB -0.220 68.751 68.868 0.172 0.000 1.067 168 T HN 0.258 nan 8.240 nan 0.000 0.549 169 I N 2.154 122.796 120.570 0.120 0.000 2.830 169 I HA -0.060 4.109 4.170 -0.000 0.000 0.263 169 I C 2.212 178.368 176.117 0.064 0.000 1.230 169 I CA 1.127 62.500 61.300 0.121 0.000 1.480 169 I CB 0.190 38.276 38.000 0.144 0.000 1.095 169 I HN 0.468 nan 8.210 nan 0.000 0.455 170 S N -1.572 114.174 115.700 0.076 0.000 2.535 170 S HA 0.124 4.594 4.470 -0.000 0.000 0.214 170 S C 1.200 175.847 174.600 0.077 0.000 0.980 170 S CA 0.144 58.380 58.200 0.059 0.000 0.907 170 S CB 0.431 63.668 63.200 0.062 0.000 0.790 170 S HN 0.204 nan 8.310 nan 0.000 0.510 171 V N 1.448 121.427 119.914 0.109 0.000 3.097 171 V HA 0.164 4.284 4.120 -0.000 0.000 0.223 171 V C 2.053 178.244 176.094 0.161 0.000 1.199 171 V CA 0.583 62.975 62.300 0.152 0.000 1.260 171 V CB -0.731 31.204 31.823 0.187 0.000 1.155 171 V HN 0.316 nan 8.190 nan 0.000 0.509 172 N N 0.906 119.709 118.700 0.171 0.000 2.106 172 N HA -0.070 4.670 4.740 -0.000 0.000 0.188 172 N C -0.751 174.782 175.510 0.039 0.000 1.029 172 N CA 1.781 54.956 53.050 0.208 0.000 0.848 172 N CB -1.542 37.173 38.487 0.380 0.000 1.007 172 N HN 0.364 nan 8.380 nan 0.000 0.423 173 P HA -0.041 nan 4.420 nan 0.000 0.216 173 P C 1.619 178.848 177.300 -0.119 0.000 1.153 173 P CA 0.852 63.670 63.100 -0.470 0.000 0.848 173 P CB 0.003 31.362 31.700 -0.569 0.000 0.787 174 L N -1.451 119.750 121.223 -0.037 0.000 2.093 174 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 174 L C 2.279 179.230 176.870 0.135 0.000 1.085 174 L CA 1.725 56.591 54.840 0.044 0.000 0.755 174 L CB -1.683 40.404 42.059 0.046 0.000 0.904 174 L HN 0.055 nan 8.230 nan 0.000 0.435 175 T N 0.248 114.882 114.554 0.134 0.000 2.674 175 T HA -0.169 4.181 4.350 -0.000 0.000 0.265 175 T C 2.051 176.633 174.700 -0.197 0.000 1.039 175 T CA 1.511 63.666 62.100 0.091 0.000 1.150 175 T CB -0.186 68.777 68.868 0.158 0.000 0.864 175 T HN 0.448 nan 8.240 nan 0.000 0.427 176 A N 0.255 123.013 122.820 -0.103 0.000 1.877 176 A HA -0.104 4.215 4.320 -0.000 0.000 0.216 176 A C 2.112 179.645 177.584 -0.086 0.000 1.186 176 A CA 1.643 53.603 52.037 -0.129 0.000 0.620 176 A CB -1.081 17.941 19.000 0.037 0.000 0.822 176 A HN 0.606 nan 8.150 nan 0.000 0.443 177 Y N 0.295 120.547 120.300 -0.079 0.000 2.145 177 Y HA -0.154 4.395 4.550 -0.000 0.000 0.286 177 Y C 2.048 177.936 175.900 -0.019 0.000 1.145 177 Y CA 1.990 60.076 58.100 -0.023 0.000 1.148 177 Y CB -0.222 38.230 38.460 -0.014 0.000 0.981 177 Y HN 0.220 nan 8.280 nan 0.000 0.507 178 L N -0.686 120.652 121.223 0.192 0.000 2.056 178 L HA -0.269 4.071 4.340 -0.000 0.000 0.207 178 L C 2.530 179.476 176.870 0.127 0.000 1.078 178 L CA 1.477 56.443 54.840 0.210 0.000 0.749 178 L CB -0.507 41.767 42.059 0.359 0.000 0.901 178 L HN 0.309 nan 8.230 nan 0.000 0.433 179 M N -0.696 118.758 119.600 -0.244 0.000 2.202 179 M HA -0.231 4.249 4.480 -0.000 0.000 0.262 179 M C 2.166 178.401 176.300 -0.108 0.000 1.063 179 M CA 1.699 56.820 55.300 -0.299 0.000 1.097 179 M CB -0.273 31.925 32.600 -0.670 0.000 1.382 179 M HN 0.280 nan 8.290 nan 0.000 0.413 180 L N -0.738 120.372 121.223 -0.187 0.000 2.313 180 L HA -0.086 4.253 4.340 -0.000 0.000 0.214 180 L C 2.291 179.146 176.870 -0.025 0.000 1.119 180 L CA 1.315 56.048 54.840 -0.177 0.000 0.809 180 L CB -0.449 41.461 42.059 -0.249 0.000 0.933 180 L HN 0.459 nan 8.230 nan 0.000 0.449 181 T N -7.120 107.410 114.554 -0.041 0.000 2.954 181 T HA -0.030 4.320 4.350 -0.000 0.000 0.252 181 T C 1.497 176.238 174.700 0.069 0.000 0.983 181 T CA -0.087 62.007 62.100 -0.011 0.000 0.941 181 T CB -0.084 68.672 68.868 -0.188 0.000 1.141 181 T HN 0.132 nan 8.240 nan 0.000 0.500 182 H N -0.325 118.729 119.070 -0.027 0.000 2.553 182 H HA 0.391 4.947 4.556 -0.000 0.000 0.265 182 H C 0.656 175.692 175.328 -0.487 0.000 0.964 182 H CA 0.315 56.213 56.048 -0.249 0.000 1.156 182 H CB 0.135 29.701 29.762 -0.326 0.000 1.411 182 H HN 0.476 nan 8.280 nan 0.000 0.558 183 Y N -1.469 118.819 120.300 -0.021 0.000 2.740 183 Y HA 0.205 4.755 4.550 -0.000 0.000 0.257 183 Y C 0.484 176.347 175.900 -0.061 0.000 1.064 183 Y CA 0.380 58.448 58.100 -0.052 0.000 1.351 183 Y CB 0.518 38.987 38.460 0.014 0.000 1.439 183 Y HN -0.030 nan 8.280 nan 0.000 0.488 184 V N -0.151 119.829 119.914 0.111 0.000 2.628 184 V HA 0.486 4.605 4.120 -0.000 0.000 0.306 184 V C -0.621 175.457 176.094 -0.028 0.000 1.045 184 V CA -1.481 60.833 62.300 0.023 0.000 0.905 184 V CB 1.820 33.653 31.823 0.017 0.000 0.997 184 V HN 0.181 nan 8.190 nan 0.000 0.436 185 K N 3.626 124.003 120.400 -0.038 0.000 2.267 185 K HA 0.522 4.842 4.320 -0.000 0.000 0.282 185 K C -1.264 175.269 176.600 -0.111 0.000 1.078 185 K CA -0.613 55.643 56.287 -0.051 0.000 0.903 185 K CB 0.818 33.310 32.500 -0.013 0.000 1.111 185 K HN 0.685 nan 8.250 nan 0.000 0.475 186 L N 3.705 124.760 121.223 -0.279 0.000 2.305 186 L HA 0.193 4.533 4.340 -0.000 0.000 0.281 186 L C 0.233 176.983 176.870 -0.200 0.000 1.085 186 L CA 0.135 54.727 54.840 -0.412 0.000 0.813 186 L CB 1.606 43.013 42.059 -1.087 0.000 1.157 186 L HN 0.604 nan 8.230 nan 0.000 0.436 187 T N 5.473 119.985 114.554 -0.070 0.000 2.769 187 T HA 0.184 4.534 4.350 -0.000 0.000 0.293 187 T C -2.297 172.465 174.700 0.104 0.000 0.931 187 T CA -0.793 61.328 62.100 0.036 0.000 1.139 187 T CB 0.286 69.175 68.868 0.035 0.000 0.881 187 T HN 0.314 nan 8.240 nan 0.000 0.532 188 P HA 0.189 nan 4.420 nan 0.000 0.265 188 P C 1.105 178.465 177.300 0.101 0.000 1.193 188 P CA 0.603 63.834 63.100 0.218 0.000 0.765 188 P CB 0.329 32.120 31.700 0.151 0.000 0.823 189 G N 2.150 110.990 108.800 0.066 0.000 2.184 189 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.264 189 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.264 189 G C 0.843 175.734 174.900 -0.016 0.000 0.975 189 G CA 0.759 45.860 45.100 0.002 0.000 0.642 189 G HN 0.560 nan 8.290 nan 0.000 0.536 190 K N -0.811 119.588 120.400 -0.001 0.000 2.509 190 K HA 0.159 4.479 4.320 -0.000 0.000 0.205 190 K C 0.110 176.716 176.600 0.011 0.000 1.336 190 K CA -0.032 56.270 56.287 0.023 0.000 0.912 190 K CB 0.362 32.900 32.500 0.064 0.000 1.568 190 K HN 0.203 nan 8.250 nan 0.000 0.475 191 D N -0.116 120.289 120.400 0.008 0.000 2.358 191 D HA 0.132 4.771 4.640 -0.000 0.000 0.244 191 D C -0.685 175.588 176.300 -0.045 0.000 1.163 191 D CA 0.220 54.265 54.000 0.075 0.000 0.945 191 D CB 0.551 41.348 40.800 -0.005 0.000 1.152 191 D HN -0.031 nan 8.370 nan 0.000 0.451 192 W N 0.558 121.859 121.300 0.002 0.000 2.844 192 W HA 0.428 5.087 4.660 -0.000 0.000 0.340 192 W C -0.369 176.198 176.519 0.079 0.000 1.093 192 W CA -1.000 56.349 57.345 0.006 0.000 1.212 192 W CB 0.733 30.191 29.460 -0.003 0.000 1.422 192 W HN 0.187 nan 8.180 nan 0.000 0.515 193 F N 1.710 121.790 119.950 0.217 0.000 2.523 193 F HA 0.870 5.397 4.527 -0.000 0.000 0.329 193 F C -1.016 174.917 175.800 0.222 0.000 1.061 193 F CA -1.750 56.350 58.000 0.167 0.000 0.967 193 F CB 1.246 40.299 39.000 0.088 0.000 1.218 193 F HN 0.272 nan 8.300 nan 0.000 0.480 194 I N 2.131 122.887 120.570 0.309 0.000 2.689 194 I HA 0.435 4.605 4.170 -0.000 0.000 0.299 194 I C -1.603 174.691 176.117 0.296 0.000 1.059 194 I CA -0.671 60.750 61.300 0.201 0.000 1.055 194 I CB 2.079 40.175 38.000 0.161 0.000 1.243 194 I HN 0.976 nan 8.210 nan 0.000 0.425 195 Q N 4.550 124.497 119.800 0.246 0.000 2.379 195 Q HA 0.482 4.822 4.340 -0.000 0.000 0.278 195 Q C -1.787 174.320 176.000 0.178 0.000 1.068 195 Q CA -1.015 54.944 55.803 0.260 0.000 0.816 195 Q CB 1.949 30.895 28.738 0.347 0.000 1.387 195 Q HN 0.693 nan 8.270 nan 0.000 0.413 196 N N 0.209 119.005 118.700 0.159 0.000 2.538 196 N HA 0.483 5.223 4.740 -0.000 0.000 0.292 196 N C 0.492 176.074 175.510 0.119 0.000 1.262 196 N CA 0.009 53.123 53.050 0.108 0.000 0.976 196 N CB 0.198 38.725 38.487 0.066 0.000 1.161 196 N HN 1.039 nan 8.380 nan 0.000 0.598 197 G N -2.037 106.809 108.800 0.075 0.000 2.366 197 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.299 197 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.299 197 G C 0.895 175.857 174.900 0.103 0.000 1.020 197 G CA 0.611 45.758 45.100 0.077 0.000 1.026 197 G HN 1.027 nan 8.290 nan 0.000 0.512 198 G N -0.522 108.330 108.800 0.087 0.000 2.498 198 G HA2 0.077 4.037 3.960 -0.000 0.000 0.219 198 G HA3 0.077 4.037 3.960 -0.000 0.000 0.219 198 G C 1.619 176.557 174.900 0.063 0.000 1.119 198 G CA 1.865 47.018 45.100 0.088 0.000 0.766 198 G HN 1.445 nan 8.290 nan 0.000 0.552 199 T N -1.122 113.460 114.554 0.047 0.000 3.122 199 T HA 0.299 4.648 4.350 -0.000 0.000 0.250 199 T C 1.325 176.043 174.700 0.031 0.000 1.067 199 T CA 0.432 62.548 62.100 0.028 0.000 0.966 199 T CB -0.021 68.856 68.868 0.015 0.000 1.002 199 T HN 0.279 nan 8.240 nan 0.000 0.542 200 S N 0.626 116.363 115.700 0.061 0.000 2.608 200 S HA 0.642 5.112 4.470 -0.000 0.000 0.261 200 S C 1.851 176.487 174.600 0.060 0.000 1.314 200 S CA -0.312 57.935 58.200 0.078 0.000 0.992 200 S CB 0.812 64.091 63.200 0.132 0.000 0.935 200 S HN 0.405 nan 8.310 nan 0.000 0.564 201 A N 1.096 123.957 122.820 0.068 0.000 1.883 201 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 201 A C 2.223 179.846 177.584 0.065 0.000 1.186 201 A CA 1.823 53.866 52.037 0.009 0.000 0.624 201 A CB -1.465 17.604 19.000 0.115 0.000 0.822 201 A HN 0.816 nan 8.150 nan 0.000 0.444 202 V N -0.071 119.984 119.914 0.236 0.000 2.407 202 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 202 V C 2.797 179.004 176.094 0.188 0.000 1.055 202 V CA 1.920 64.381 62.300 0.269 0.000 1.049 202 V CB -1.426 30.529 31.823 0.221 0.000 0.662 202 V HN 0.641 nan 8.190 nan 0.000 0.455 203 G N -0.376 108.532 108.800 0.181 0.000 2.418 203 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 203 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 203 G C 1.682 176.650 174.900 0.112 0.000 1.158 203 G CA 0.818 46.016 45.100 0.163 0.000 0.771 203 G HN 0.467 nan 8.290 nan 0.000 0.545 204 K N -0.650 119.767 120.400 0.028 0.000 2.097 204 K HA -0.011 4.309 4.320 -0.000 0.000 0.205 204 K C 2.198 178.786 176.600 -0.020 0.000 1.050 204 K CA 0.945 57.206 56.287 -0.043 0.000 0.938 204 K CB -0.280 32.131 32.500 -0.148 0.000 0.718 204 K HN 0.497 nan 8.250 nan 0.000 0.442 205 Y N 0.652 120.994 120.300 0.071 0.000 2.181 205 Y HA -0.243 4.307 4.550 -0.000 0.000 0.288 205 Y C 2.509 178.435 175.900 0.043 0.000 1.146 205 Y CA 0.648 58.781 58.100 0.055 0.000 1.164 205 Y CB -0.160 38.341 38.460 0.069 0.000 0.982 205 Y HN 0.117 nan 8.280 nan 0.000 0.515 206 A N -0.544 122.398 122.820 0.203 0.000 1.933 206 A HA -0.190 4.129 4.320 -0.000 0.000 0.218 206 A C 2.343 180.072 177.584 0.240 0.000 1.175 206 A CA 1.967 54.085 52.037 0.134 0.000 0.628 206 A CB -0.892 18.165 19.000 0.094 0.000 0.814 206 A HN 0.377 nan 8.150 nan 0.000 0.444 207 S N -0.302 115.531 115.700 0.221 0.000 2.368 207 S HA -0.198 4.271 4.470 -0.000 0.000 0.225 207 S C 2.126 176.774 174.600 0.079 0.000 1.030 207 S CA 1.582 59.886 58.200 0.174 0.000 0.999 207 S CB -0.317 62.934 63.200 0.084 0.000 0.844 207 S HN 0.717 nan 8.310 nan 0.000 0.459 208 Q N 0.339 120.164 119.800 0.042 0.000 2.079 208 Q HA 0.009 4.349 4.340 -0.000 0.000 0.200 208 Q C 2.137 178.057 176.000 -0.134 0.000 0.974 208 Q CA 1.183 56.958 55.803 -0.048 0.000 0.840 208 Q CB -0.306 28.419 28.738 -0.022 0.000 0.898 208 Q HN 0.516 nan 8.270 nan 0.000 0.430 209 I N 0.302 120.836 120.570 -0.061 0.000 2.252 209 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 209 I C 2.350 178.375 176.117 -0.152 0.000 1.102 209 I CA 0.976 62.203 61.300 -0.121 0.000 1.385 209 I CB -0.600 37.439 38.000 0.066 0.000 1.064 209 I HN 0.269 nan 8.210 nan 0.000 0.414 210 G N 1.036 109.841 108.800 0.008 0.000 2.469 210 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.219 210 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.219 210 G C 1.708 176.561 174.900 -0.077 0.000 1.150 210 G CA 1.004 46.177 45.100 0.121 0.000 0.763 210 G HN 0.329 nan 8.290 nan 0.000 0.561 211 K N 0.034 120.377 120.400 -0.095 0.000 2.057 211 K HA 0.041 4.361 4.320 -0.000 0.000 0.207 211 K C 2.527 178.991 176.600 -0.226 0.000 1.049 211 K CA 0.856 57.052 56.287 -0.153 0.000 0.931 211 K CB -0.266 32.151 32.500 -0.139 0.000 0.714 211 K HN 0.357 nan 8.250 nan 0.000 0.440 212 L N 0.917 121.953 121.223 -0.312 0.000 2.083 212 L HA -0.150 4.189 4.340 -0.000 0.000 0.209 212 L C 2.101 178.805 176.870 -0.275 0.000 1.083 212 L CA 0.919 55.542 54.840 -0.362 0.000 0.752 212 L CB -0.212 41.430 42.059 -0.694 0.000 0.899 212 L HN 0.203 nan 8.230 nan 0.000 0.433 213 L N -0.583 120.401 121.223 -0.399 0.000 2.599 213 L HA 0.035 4.375 4.340 -0.000 0.000 0.230 213 L C 0.620 177.139 176.870 -0.584 0.000 1.141 213 L CA -0.048 54.427 54.840 -0.608 0.000 0.877 213 L CB -0.403 40.906 42.059 -1.250 0.000 1.009 213 L HN 0.396 nan 8.230 nan 0.000 0.447 214 N N 0.250 118.743 118.700 -0.344 0.000 2.780 214 N HA -0.234 4.505 4.740 -0.000 0.000 0.248 214 N C -0.493 175.029 175.510 0.020 0.000 1.102 214 N CA 0.516 53.477 53.050 -0.149 0.000 0.697 214 N CB -1.543 36.897 38.487 -0.078 0.000 1.028 214 N HN 0.267 nan 8.380 nan 0.000 0.554 215 F N 0.272 120.188 119.950 -0.056 0.000 2.385 215 F HA 0.386 4.913 4.527 -0.000 0.000 0.336 215 F C 1.260 176.920 175.800 -0.233 0.000 1.100 215 F CA -1.315 56.646 58.000 -0.064 0.000 1.116 215 F CB 0.733 39.822 39.000 0.149 0.000 1.166 215 F HN -0.087 nan 8.300 nan 0.000 0.511 216 N N 1.513 120.017 118.700 -0.326 0.000 2.525 216 N HA 0.271 5.011 4.740 -0.000 0.000 0.271 216 N C -0.661 174.427 175.510 -0.703 0.000 1.194 216 N CA -0.044 52.486 53.050 -0.868 0.000 0.964 216 N CB 1.702 38.911 38.487 -2.130 0.000 1.126 216 N HN 0.672 nan 8.380 nan 0.000 0.452 217 S N 0.012 115.344 115.700 -0.613 0.000 2.556 217 S HA 0.632 5.101 4.470 -0.000 0.000 0.271 217 S C -0.809 173.721 174.600 -0.118 0.000 1.135 217 S CA -0.919 56.931 58.200 -0.582 0.000 0.858 217 S CB 1.023 63.443 63.200 -1.301 0.000 1.114 217 S HN 0.377 nan 8.310 nan 0.000 0.468 218 I N 2.021 122.581 120.570 -0.017 0.000 2.378 218 I HA 0.427 4.596 4.170 -0.000 0.000 0.291 218 I C -0.215 175.911 176.117 0.016 0.000 0.992 218 I CA -0.440 60.900 61.300 0.066 0.000 1.154 218 I CB 2.118 40.227 38.000 0.182 0.000 1.315 218 I HN 0.621 nan 8.210 nan 0.000 0.448 219 S N 4.959 120.675 115.700 0.027 0.000 2.462 219 S HA 0.518 4.988 4.470 -0.000 0.000 0.294 219 S C -0.282 174.359 174.600 0.067 0.000 1.144 219 S CA -0.590 57.644 58.200 0.057 0.000 1.088 219 S CB 1.663 64.890 63.200 0.047 0.000 1.009 219 S HN 0.282 nan 8.310 nan 0.000 0.484 220 V N 5.594 125.553 119.914 0.075 0.000 2.398 220 V HA 0.585 4.705 4.120 -0.000 0.000 0.286 220 V C 0.079 176.197 176.094 0.040 0.000 1.026 220 V CA -0.581 61.751 62.300 0.053 0.000 0.868 220 V CB 0.698 32.552 31.823 0.052 0.000 0.982 220 V HN 0.825 nan 8.190 nan 0.000 0.443 221 I N 1.602 122.182 120.570 0.018 0.000 3.042 221 I HA 0.703 4.873 4.170 -0.000 0.000 0.310 221 I C -0.182 175.931 176.117 -0.007 0.000 1.117 221 I CA -1.353 59.954 61.300 0.012 0.000 1.003 221 I CB 2.093 40.101 38.000 0.013 0.000 1.228 221 I HN 0.356 nan 8.210 nan 0.000 0.443 222 R N 1.724 122.219 120.500 -0.007 0.000 2.543 222 R HA 0.139 4.479 4.340 -0.000 0.000 0.277 222 R C -0.517 175.772 176.300 -0.018 0.000 1.074 222 R CA -0.449 55.642 56.100 -0.016 0.000 1.076 222 R CB 0.281 30.573 30.300 -0.014 0.000 0.993 222 R HN 0.592 nan 8.270 nan 0.000 0.459 223 D N 2.001 122.385 120.400 -0.026 0.000 2.423 223 D HA 0.027 4.667 4.640 -0.000 0.000 0.238 223 D C -0.148 176.142 176.300 -0.017 0.000 1.142 223 D CA 0.379 54.364 54.000 -0.025 0.000 0.884 223 D CB 0.696 41.477 40.800 -0.032 0.000 1.199 223 D HN 0.477 nan 8.370 nan 0.000 0.438 224 R N 1.314 121.806 120.500 -0.013 0.000 2.716 224 R HA 0.323 4.662 4.340 -0.000 0.000 0.271 224 R C -2.521 173.775 176.300 -0.007 0.000 1.028 224 R CA -1.239 54.856 56.100 -0.009 0.000 0.883 224 R CB 0.002 30.298 30.300 -0.007 0.000 1.250 224 R HN 0.097 nan 8.270 nan 0.000 0.465 225 P HA -0.071 nan 4.420 nan 0.000 0.221 225 P C 0.066 177.364 177.300 -0.003 0.000 1.150 225 P CA 1.032 64.130 63.100 -0.004 0.000 0.800 225 P CB 0.064 31.762 31.700 -0.003 0.000 0.787 226 N N -0.001 118.698 118.700 -0.003 0.000 2.558 226 N HA 0.037 4.777 4.740 -0.000 0.000 0.281 226 N C 0.992 176.502 175.510 -0.001 0.000 1.219 226 N CA -0.259 52.791 53.050 -0.001 0.000 0.942 226 N CB -0.381 38.105 38.487 -0.002 0.000 1.241 226 N HN 0.008 nan 8.380 nan 0.000 0.511 227 L N 0.997 122.219 121.223 -0.001 0.000 2.012 227 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 227 L C 1.273 178.145 176.870 0.003 0.000 1.073 227 L CA 2.002 56.841 54.840 -0.000 0.000 0.748 227 L CB -0.521 41.536 42.059 -0.002 0.000 0.891 227 L HN 0.075 nan 8.230 nan 0.000 0.431 228 D N -0.320 120.084 120.400 0.006 0.000 2.123 228 D HA -0.213 4.426 4.640 -0.000 0.000 0.196 228 D C 2.116 178.419 176.300 0.005 0.000 0.992 228 D CA 1.644 55.649 54.000 0.009 0.000 0.833 228 D CB -0.067 40.739 40.800 0.010 0.000 0.954 228 D HN 0.550 nan 8.370 nan 0.000 0.455 229 E N 0.013 120.214 120.200 0.002 0.000 2.106 229 E HA -0.091 4.259 4.350 -0.000 0.000 0.192 229 E C 2.273 178.871 176.600 -0.002 0.000 0.984 229 E CA 0.443 56.842 56.400 -0.001 0.000 0.806 229 E CB 0.179 29.879 29.700 -0.001 0.000 0.750 229 E HN 0.081 nan 8.360 nan 0.000 0.458 230 V N 0.728 120.641 119.914 -0.002 0.000 2.358 230 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 230 V C 2.295 178.388 176.094 -0.002 0.000 1.047 230 V CA 1.133 63.432 62.300 -0.002 0.000 1.035 230 V CB -0.231 31.591 31.823 -0.001 0.000 0.658 230 V HN 0.130 nan 8.190 nan 0.000 0.452 231 V N 0.438 120.353 119.914 0.000 0.000 2.287 231 V HA -0.285 3.834 4.120 -0.000 0.000 0.248 231 V C 2.715 178.805 176.094 -0.007 0.000 1.053 231 V CA 2.190 64.490 62.300 0.000 0.000 1.027 231 V CB -1.097 30.732 31.823 0.009 0.000 0.646 231 V HN 0.565 nan 8.190 nan 0.000 0.447 232 A N -0.782 122.035 122.820 -0.006 0.000 1.902 232 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 232 A C 2.565 180.140 177.584 -0.015 0.000 1.181 232 A CA 2.192 54.222 52.037 -0.011 0.000 0.623 232 A CB -0.782 18.214 19.000 -0.007 0.000 0.818 232 A HN 0.503 nan 8.150 nan 0.000 0.443 233 S N -0.382 115.311 115.700 -0.012 0.000 2.368 233 S HA -0.105 4.364 4.470 -0.000 0.000 0.225 233 S C 1.944 176.534 174.600 -0.018 0.000 1.030 233 S CA 1.506 59.697 58.200 -0.014 0.000 0.999 233 S CB -0.486 62.708 63.200 -0.011 0.000 0.844 233 S HN 0.489 nan 8.310 nan 0.000 0.459 234 L N 0.651 121.865 121.223 -0.015 0.000 2.093 234 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 234 L C 2.718 179.572 176.870 -0.027 0.000 1.085 234 L CA 1.234 56.064 54.840 -0.016 0.000 0.755 234 L CB -0.443 41.612 42.059 -0.007 0.000 0.904 234 L HN 0.285 nan 8.230 nan 0.000 0.435 235 K N -0.043 120.337 120.400 -0.033 0.000 2.097 235 K HA -0.222 4.098 4.320 -0.000 0.000 0.205 235 K C 2.036 178.607 176.600 -0.049 0.000 1.050 235 K CA 1.307 57.565 56.287 -0.049 0.000 0.938 235 K CB -0.028 32.442 32.500 -0.050 0.000 0.718 235 K HN 0.090 nan 8.250 nan 0.000 0.442 236 E N 1.465 121.642 120.200 -0.038 0.000 2.110 236 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 236 E C 1.744 178.319 176.600 -0.042 0.000 0.988 236 E CA 1.042 57.420 56.400 -0.038 0.000 0.804 236 E CB -0.176 29.508 29.700 -0.028 0.000 0.745 236 E HN 0.205 nan 8.360 nan 0.000 0.458 237 L N -1.572 119.629 121.223 -0.037 0.000 2.131 237 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 237 L C 1.730 178.572 176.870 -0.047 0.000 1.092 237 L CA 1.184 56.001 54.840 -0.037 0.000 0.759 237 L CB -0.158 41.886 42.059 -0.025 0.000 0.903 237 L HN 0.504 nan 8.230 nan 0.000 0.435 238 G N -1.710 107.059 108.800 -0.051 0.000 2.559 238 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.202 238 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.202 238 G C 0.260 175.117 174.900 -0.073 0.000 0.992 238 G CA -0.222 44.838 45.100 -0.066 0.000 0.764 238 G HN 0.373 nan 8.290 nan 0.000 0.525 239 A N 0.807 123.590 122.820 -0.061 0.000 2.520 239 A HA 0.581 4.901 4.320 -0.000 0.000 0.245 239 A C 1.546 179.051 177.584 -0.132 0.000 1.072 239 A CA 1.525 53.507 52.037 -0.092 0.000 0.761 239 A CB 0.286 19.252 19.000 -0.056 0.000 1.004 239 A HN 0.550 nan 8.150 nan 0.000 0.499 240 T N 1.737 116.179 114.554 -0.187 0.000 2.812 240 T HA 0.016 4.365 4.350 -0.000 0.000 0.264 240 T C 0.671 175.236 174.700 -0.226 0.000 1.042 240 T CA 1.196 63.164 62.100 -0.219 0.000 1.140 240 T CB -0.041 68.631 68.868 -0.326 0.000 0.870 240 T HN 0.733 nan 8.240 nan 0.000 0.445 241 Q N 0.129 119.807 119.800 -0.203 0.000 2.421 241 Q HA 0.640 4.980 4.340 -0.000 0.000 0.280 241 Q C -1.472 174.470 176.000 -0.096 0.000 1.085 241 Q CA -0.564 55.062 55.803 -0.296 0.000 0.807 241 Q CB 3.040 31.314 28.738 -0.773 0.000 1.405 241 Q HN 0.064 nan 8.270 nan 0.000 0.419 242 V N 2.747 122.643 119.914 -0.029 0.000 2.577 242 V HA 0.615 4.734 4.120 -0.000 0.000 0.303 242 V C -0.167 175.985 176.094 0.097 0.000 1.042 242 V CA -0.705 61.616 62.300 0.035 0.000 0.872 242 V CB 1.845 33.675 31.823 0.013 0.000 0.998 242 V HN 0.736 nan 8.190 nan 0.000 0.423 243 I N 1.408 122.033 120.570 0.091 0.000 3.002 243 I HA 0.889 5.059 4.170 -0.000 0.000 0.310 243 I C 0.256 176.351 176.117 -0.038 0.000 1.087 243 I CA -0.573 60.743 61.300 0.027 0.000 1.017 243 I CB 2.638 40.668 38.000 0.051 0.000 1.226 243 I HN 0.634 nan 8.210 nan 0.000 0.443 244 T N -0.917 113.566 114.554 -0.118 0.000 2.847 244 T HA 0.318 4.668 4.350 -0.000 0.000 0.279 244 T C 0.788 175.427 174.700 -0.101 0.000 0.984 244 T CA -0.457 61.587 62.100 -0.093 0.000 0.988 244 T CB 1.457 70.264 68.868 -0.101 0.000 1.040 244 T HN 0.681 nan 8.240 nan 0.000 0.528 245 E N 0.693 120.854 120.200 -0.066 0.000 2.153 245 E HA -0.138 4.211 4.350 -0.000 0.000 0.194 245 E C 1.729 178.283 176.600 -0.077 0.000 0.988 245 E CA 1.211 57.577 56.400 -0.056 0.000 0.811 245 E CB -0.250 29.427 29.700 -0.039 0.000 0.746 245 E HN 0.661 nan 8.360 nan 0.000 0.466 246 D N 0.776 121.120 120.400 -0.094 0.000 2.117 246 D HA -0.156 4.483 4.640 -0.000 0.000 0.197 246 D C 1.987 178.196 176.300 -0.152 0.000 0.987 246 D CA 0.936 54.876 54.000 -0.100 0.000 0.829 246 D CB -0.124 40.621 40.800 -0.093 0.000 0.961 246 D HN 0.324 nan 8.370 nan 0.000 0.460 247 Q N 0.396 120.033 119.800 -0.272 0.000 2.079 247 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 247 Q C 1.953 177.797 176.000 -0.259 0.000 0.974 247 Q CA 0.869 56.366 55.803 -0.509 0.000 0.840 247 Q CB -0.134 27.962 28.738 -1.069 0.000 0.898 247 Q HN 0.132 nan 8.270 nan 0.000 0.430 248 N N 0.970 119.583 118.700 -0.145 0.000 2.149 248 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 248 N C 1.092 176.588 175.510 -0.024 0.000 1.019 248 N CA 1.264 54.291 53.050 -0.038 0.000 0.857 248 N CB -0.045 38.427 38.487 -0.024 0.000 0.997 248 N HN 0.176 nan 8.380 nan 0.000 0.426 249 N N -0.837 117.838 118.700 -0.041 0.000 2.422 249 N HA -0.023 4.717 4.740 -0.000 0.000 0.181 249 N C -0.218 175.284 175.510 -0.014 0.000 1.080 249 N CA 0.182 53.216 53.050 -0.027 0.000 0.893 249 N CB -0.056 38.412 38.487 -0.032 0.000 0.973 249 N HN 0.085 nan 8.380 nan 0.000 0.456 250 S N 0.810 116.508 115.700 -0.002 0.000 2.439 250 S HA 0.183 4.653 4.470 -0.000 0.000 0.282 250 S C 1.114 175.743 174.600 0.048 0.000 1.170 250 S CA -0.600 57.615 58.200 0.026 0.000 1.054 250 S CB 0.753 63.979 63.200 0.044 0.000 0.956 250 S HN 0.052 nan 8.310 nan 0.000 0.490 251 K N 3.154 123.565 120.400 0.017 0.000 2.103 251 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 251 K C 1.340 177.938 176.600 -0.004 0.000 1.048 251 K CA 1.324 57.610 56.287 -0.001 0.000 0.930 251 K CB 0.000 32.492 32.500 -0.013 0.000 0.716 251 K HN 0.608 nan 8.250 nan 0.000 0.444 252 E N 0.206 120.415 120.200 0.015 0.000 2.299 252 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 252 E C 1.646 178.246 176.600 0.000 0.000 0.998 252 E CA 0.604 57.003 56.400 -0.001 0.000 0.851 252 E CB -0.176 29.530 29.700 0.010 0.000 0.795 252 E HN 0.291 nan 8.360 nan 0.000 0.492 253 F N 1.672 121.568 119.950 -0.090 0.000 2.558 253 F HA 0.148 4.675 4.527 -0.000 0.000 0.298 253 F C 2.047 177.743 175.800 -0.173 0.000 1.119 253 F CA 0.865 58.793 58.000 -0.120 0.000 1.451 253 F CB 0.060 39.005 39.000 -0.092 0.000 1.091 253 F HN 0.016 nan 8.300 nan 0.000 0.563 254 G N 1.014 109.784 108.800 -0.050 0.000 2.432 254 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.219 254 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.219 254 G C -0.756 173.993 174.900 -0.251 0.000 1.135 254 G CA 0.662 45.696 45.100 -0.110 0.000 0.767 254 G HN 0.308 nan 8.290 nan 0.000 0.550 255 P HA -0.007 nan 4.420 nan 0.000 0.218 255 P C 1.991 179.011 177.300 -0.466 0.000 1.149 255 P CA 1.250 64.166 63.100 -0.306 0.000 0.817 255 P CB -0.158 31.396 31.700 -0.245 0.000 0.785 256 T N -0.084 114.053 114.554 -0.695 0.000 2.699 256 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 256 T C 1.724 175.681 174.700 -1.237 0.000 1.036 256 T CA 1.338 62.826 62.100 -1.019 0.000 1.147 256 T CB -0.911 67.088 68.868 -1.449 0.000 0.862 256 T HN 0.102 nan 8.240 nan 0.000 0.446 257 I N 0.443 120.448 120.570 -0.943 0.000 2.252 257 I HA -0.124 4.046 4.170 -0.000 0.000 0.245 257 I C 2.502 178.379 176.117 -0.399 0.000 1.102 257 I CA 1.200 62.118 61.300 -0.636 0.000 1.385 257 I CB -0.255 37.589 38.000 -0.260 0.000 1.064 257 I HN 0.167 nan 8.210 nan 0.000 0.414 258 K N 0.321 120.519 120.400 -0.338 0.000 2.097 258 K HA -0.231 4.088 4.320 -0.000 0.000 0.206 258 K C 2.040 178.511 176.600 -0.215 0.000 1.049 258 K CA 1.390 57.534 56.287 -0.239 0.000 0.933 258 K CB -0.131 32.258 32.500 -0.186 0.000 0.717 258 K HN 0.149 nan 8.250 nan 0.000 0.442 259 E N 0.475 120.514 120.200 -0.268 0.000 2.072 259 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 259 E C 1.605 178.183 176.600 -0.036 0.000 0.985 259 E CA 1.144 57.444 56.400 -0.167 0.000 0.801 259 E CB -0.119 29.455 29.700 -0.210 0.000 0.750 259 E HN 0.251 nan 8.360 nan 0.000 0.452 260 W N 0.657 121.855 121.300 -0.170 0.000 2.304 260 W HA -0.178 4.482 4.660 -0.000 0.000 0.315 260 W C 2.269 178.672 176.519 -0.193 0.000 1.233 260 W CA 1.032 58.283 57.345 -0.156 0.000 1.261 260 W CB -1.220 28.073 29.460 -0.278 0.000 1.150 260 W HN 0.189 nan 8.180 nan 0.000 0.494 261 I N -0.053 120.393 120.570 -0.207 0.000 2.286 261 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 261 I C 2.447 178.567 176.117 0.006 0.000 1.104 261 I CA 1.299 62.402 61.300 -0.329 0.000 1.397 261 I CB -0.531 37.155 38.000 -0.522 0.000 1.072 261 I HN -0.117 nan 8.210 nan 0.000 0.417 262 K N 0.261 120.653 120.400 -0.014 0.000 2.032 262 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 262 K C 2.199 178.846 176.600 0.078 0.000 1.048 262 K CA 1.267 57.568 56.287 0.023 0.000 0.927 262 K CB -0.182 32.312 32.500 -0.011 0.000 0.712 262 K HN 0.232 nan 8.250 nan 0.000 0.441 263 Q N 0.278 120.142 119.800 0.106 0.000 2.170 263 Q HA -0.118 4.221 4.340 -0.000 0.000 0.203 263 Q C 2.122 178.219 176.000 0.161 0.000 0.976 263 Q CA 1.773 57.652 55.803 0.127 0.000 0.858 263 Q CB -0.262 28.566 28.738 0.150 0.000 0.907 263 Q HN 0.387 nan 8.270 nan 0.000 0.433 264 S N -1.480 114.369 115.700 0.248 0.000 2.489 264 S HA 0.069 4.539 4.470 -0.000 0.000 0.228 264 S C 1.574 176.289 174.600 0.191 0.000 0.995 264 S CA 0.963 59.327 58.200 0.272 0.000 0.934 264 S CB 0.031 63.554 63.200 0.538 0.000 0.771 264 S HN 0.470 nan 8.310 nan 0.000 0.522 265 G N 0.248 109.148 108.800 0.167 0.000 2.184 265 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.264 265 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.264 265 G C 0.445 175.427 174.900 0.136 0.000 0.975 265 G CA 0.220 45.393 45.100 0.121 0.000 0.642 265 G HN 1.122 nan 8.290 nan 0.000 0.536 266 G N -1.066 107.862 108.800 0.214 0.000 2.828 266 G HA2 0.704 4.663 3.960 -0.000 0.000 0.244 266 G HA3 0.704 4.663 3.960 -0.000 0.000 0.244 266 G C -0.586 174.449 174.900 0.225 0.000 1.365 266 G CA -0.240 44.990 45.100 0.217 0.000 1.041 266 G HN 0.393 nan 8.290 nan 0.000 0.560 267 E N -1.189 119.153 120.200 0.237 0.000 2.343 267 E HA 0.514 4.864 4.350 -0.000 0.000 0.270 267 E C -0.886 175.846 176.600 0.219 0.000 0.895 267 E CA -1.013 55.483 56.400 0.160 0.000 0.767 267 E CB 2.438 32.197 29.700 0.098 0.000 1.248 267 E HN 0.554 nan 8.360 nan 0.000 0.440 268 A N 2.298 125.189 122.820 0.118 0.000 2.376 268 A HA 0.167 4.487 4.320 -0.000 0.000 0.298 268 A C 0.424 178.089 177.584 0.135 0.000 1.271 268 A CA 0.012 52.142 52.037 0.155 0.000 0.926 268 A CB -0.039 18.993 19.000 0.053 0.000 1.141 268 A HN 0.551 nan 8.150 nan 0.000 0.539 269 K N 1.149 121.636 120.400 0.145 0.000 2.367 269 K HA 0.236 4.556 4.320 -0.000 0.000 0.195 269 K C -0.553 176.105 176.600 0.098 0.000 1.060 269 K CA 0.188 56.534 56.287 0.098 0.000 1.022 269 K CB 0.395 32.927 32.500 0.054 0.000 0.894 269 K HN 0.539 nan 8.250 nan 0.000 0.540 270 L N 0.236 121.544 121.223 0.140 0.000 2.464 270 L HA 0.524 4.863 4.340 -0.000 0.000 0.266 270 L C -1.971 175.021 176.870 0.204 0.000 0.965 270 L CA -0.659 54.261 54.840 0.133 0.000 0.833 270 L CB 1.962 44.075 42.059 0.090 0.000 1.296 270 L HN -0.041 nan 8.230 nan 0.000 0.405 271 A N 5.758 128.682 122.820 0.174 0.000 2.331 271 A HA 0.809 5.129 4.320 -0.000 0.000 0.320 271 A C -1.417 176.270 177.584 0.172 0.000 1.138 271 A CA -0.512 51.647 52.037 0.203 0.000 0.790 271 A CB 0.912 20.040 19.000 0.213 0.000 1.206 271 A HN 0.680 nan 8.150 nan 0.000 0.470 272 L N 2.639 123.989 121.223 0.212 0.000 2.280 272 L HA 0.411 4.751 4.340 -0.000 0.000 0.287 272 L C -0.181 176.853 176.870 0.275 0.000 1.023 272 L CA -0.676 54.301 54.840 0.229 0.000 0.819 272 L CB 1.294 43.474 42.059 0.201 0.000 1.212 272 L HN 0.783 nan 8.230 nan 0.000 0.420 273 N N 2.483 121.331 118.700 0.247 0.000 2.392 273 N HA 0.374 5.113 4.740 -0.000 0.000 0.283 273 N C 0.078 175.553 175.510 -0.058 0.000 1.003 273 N CA -0.729 52.395 53.050 0.123 0.000 0.892 273 N CB 1.427 39.971 38.487 0.096 0.000 1.193 273 N HN 0.687 nan 8.380 nan 0.000 0.487 274 C N 1.412 120.599 119.300 -0.188 0.000 3.386 274 C HA 0.502 4.961 4.460 -0.000 0.000 0.279 274 C C 0.850 175.717 174.990 -0.204 0.000 1.508 274 C CA -0.429 58.324 59.018 -0.441 0.000 1.801 274 C CB -1.265 26.034 27.740 -0.735 0.000 2.798 274 C HN 0.466 nan 8.230 nan 0.000 0.605 275 V N 1.172 121.023 119.914 -0.104 0.000 2.996 275 V HA 0.637 4.757 4.120 -0.000 0.000 0.235 275 V C 1.718 177.772 176.094 -0.066 0.000 1.205 275 V CA 1.610 63.865 62.300 -0.074 0.000 1.225 275 V CB -0.382 31.416 31.823 -0.043 0.000 0.995 275 V HN 1.092 nan 8.190 nan 0.000 0.484 276 G N -0.367 108.409 108.800 -0.040 0.000 2.725 276 G HA2 0.305 4.264 3.960 -0.000 0.000 0.220 276 G HA3 0.305 4.264 3.960 -0.000 0.000 0.220 276 G C 0.594 175.477 174.900 -0.028 0.000 1.357 276 G CA -0.449 44.635 45.100 -0.028 0.000 0.866 276 G HN 1.659 nan 8.290 nan 0.000 0.548 277 G N -0.440 108.346 108.800 -0.023 0.000 2.632 277 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.322 277 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.322 277 G C 1.273 176.162 174.900 -0.017 0.000 1.326 277 G CA 1.564 46.651 45.100 -0.022 0.000 0.986 277 G HN 1.621 nan 8.290 nan 0.000 0.541 278 K N -0.231 120.156 120.400 -0.022 0.000 2.103 278 K HA -0.078 4.242 4.320 -0.000 0.000 0.207 278 K C 3.002 179.590 176.600 -0.022 0.000 1.048 278 K CA 2.010 58.283 56.287 -0.022 0.000 0.930 278 K CB -0.398 32.088 32.500 -0.023 0.000 0.716 278 K HN 0.434 nan 8.250 nan 0.000 0.444 279 S N 0.241 115.929 115.700 -0.020 0.000 2.368 279 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 279 S C 1.956 176.556 174.600 0.000 0.000 1.030 279 S CA 1.949 60.142 58.200 -0.011 0.000 0.999 279 S CB -0.327 62.867 63.200 -0.011 0.000 0.844 279 S HN 0.524 nan 8.310 nan 0.000 0.459 280 S N 0.439 116.140 115.700 0.002 0.000 2.368 280 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 280 S C 1.975 176.569 174.600 -0.011 0.000 1.030 280 S CA 1.770 59.980 58.200 0.017 0.000 0.999 280 S CB -1.601 61.617 63.200 0.031 0.000 0.844 280 S HN 0.572 nan 8.310 nan 0.000 0.459 281 T N 2.127 116.661 114.554 -0.033 0.000 2.635 281 T HA -0.027 4.322 4.350 -0.000 0.000 0.267 281 T C 2.035 176.689 174.700 -0.077 0.000 1.040 281 T CA 1.684 63.740 62.100 -0.073 0.000 1.156 281 T CB -1.329 67.507 68.868 -0.053 0.000 0.863 281 T HN 0.657 nan 8.240 nan 0.000 0.430 282 G N 1.856 110.631 108.800 -0.042 0.000 2.440 282 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.218 282 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.218 282 G C 1.606 176.494 174.900 -0.021 0.000 1.154 282 G CA 1.070 46.151 45.100 -0.031 0.000 0.767 282 G HN 0.699 nan 8.290 nan 0.000 0.552 283 I N -1.462 119.109 120.570 0.000 0.000 2.500 283 I HA 0.249 4.419 4.170 -0.000 0.000 0.252 283 I C 2.758 178.885 176.117 0.017 0.000 1.142 283 I CA 1.149 62.469 61.300 0.033 0.000 1.451 283 I CB -0.311 37.736 38.000 0.078 0.000 1.093 283 I HN 0.112 nan 8.210 nan 0.000 0.430 284 A N 1.901 124.694 122.820 -0.045 0.000 1.933 284 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 284 A C 2.464 179.914 177.584 -0.224 0.000 1.175 284 A CA 1.446 53.378 52.037 -0.175 0.000 0.628 284 A CB -0.665 18.050 19.000 -0.475 0.000 0.814 284 A HN 0.471 nan 8.150 nan 0.000 0.444 285 R N -0.597 119.797 120.500 -0.176 0.000 2.235 285 R HA -0.022 4.317 4.340 -0.000 0.000 0.213 285 R C 1.201 177.452 176.300 -0.081 0.000 1.059 285 R CA 0.893 56.907 56.100 -0.143 0.000 0.997 285 R CB -0.010 30.224 30.300 -0.109 0.000 0.884 285 R HN 0.285 nan 8.270 nan 0.000 0.462 286 K N 0.518 120.891 120.400 -0.046 0.000 2.418 286 K HA 0.088 4.408 4.320 -0.000 0.000 0.195 286 K C 0.791 177.382 176.600 -0.015 0.000 1.035 286 K CA 0.341 56.609 56.287 -0.030 0.000 1.003 286 K CB 0.049 32.546 32.500 -0.005 0.000 0.793 286 K HN 0.176 nan 8.250 nan 0.000 0.494 287 L N 1.893 123.127 121.223 0.017 0.000 2.452 287 L HA 0.033 4.372 4.340 -0.000 0.000 0.267 287 L C 0.536 177.429 176.870 0.039 0.000 1.188 287 L CA -0.377 54.500 54.840 0.062 0.000 0.821 287 L CB 0.107 42.255 42.059 0.148 0.000 1.102 287 L HN 0.018 nan 8.230 nan 0.000 0.470 288 N N 0.728 119.456 118.700 0.046 0.000 2.317 288 N HA 0.025 4.764 4.740 -0.000 0.000 0.245 288 N C -0.028 175.525 175.510 0.071 0.000 1.294 288 N CA -0.397 52.677 53.050 0.041 0.000 0.924 288 N CB 0.118 38.628 38.487 0.039 0.000 1.186 288 N HN 0.492 nan 8.380 nan 0.000 0.495 289 N N 1.403 120.141 118.700 0.063 0.000 2.345 289 N HA -0.074 4.666 4.740 -0.000 0.000 0.243 289 N C -0.563 174.997 175.510 0.085 0.000 1.246 289 N CA 0.541 53.639 53.050 0.080 0.000 0.863 289 N CB -0.075 38.452 38.487 0.066 0.000 1.096 289 N HN 0.504 nan 8.380 nan 0.000 0.446 290 N N -0.998 117.759 118.700 0.095 0.000 2.776 290 N HA -0.125 4.615 4.740 -0.000 0.000 0.250 290 N C -0.032 175.515 175.510 0.062 0.000 1.112 290 N CA 1.093 54.185 53.050 0.071 0.000 0.733 290 N CB -1.898 36.620 38.487 0.052 0.000 1.097 290 N HN 0.646 nan 8.380 nan 0.000 0.558 291 G N 0.129 108.994 108.800 0.109 0.000 2.527 291 G HA2 0.467 4.427 3.960 -0.000 0.000 0.248 291 G HA3 0.467 4.427 3.960 -0.000 0.000 0.248 291 G C -0.107 174.755 174.900 -0.063 0.000 1.231 291 G CA -0.316 44.847 45.100 0.106 0.000 0.838 291 G HN 0.213 nan 8.290 nan 0.000 0.570 292 L N 1.688 122.871 121.223 -0.068 0.000 2.381 292 L HA 0.678 5.018 4.340 -0.000 0.000 0.274 292 L C -0.223 176.583 176.870 -0.106 0.000 0.988 292 L CA -0.839 53.892 54.840 -0.181 0.000 0.824 292 L CB 1.950 43.962 42.059 -0.078 0.000 1.263 292 L HN 0.598 nan 8.230 nan 0.000 0.410 293 M N 5.694 125.171 119.600 -0.204 0.000 2.238 293 M HA 0.550 5.030 4.480 -0.000 0.000 0.350 293 M C -1.787 174.500 176.300 -0.021 0.000 1.138 293 M CA -0.457 54.848 55.300 0.008 0.000 1.040 293 M CB 1.057 33.772 32.600 0.191 0.000 1.639 293 M HN 0.605 nan 8.290 nan 0.000 0.451 294 L N 4.263 125.496 121.223 0.017 0.000 2.313 294 L HA 0.469 4.809 4.340 -0.000 0.000 0.283 294 L C -0.405 176.551 176.870 0.144 0.000 1.013 294 L CA -0.631 54.222 54.840 0.021 0.000 0.816 294 L CB 1.973 43.976 42.059 -0.094 0.000 1.236 294 L HN 0.671 nan 8.230 nan 0.000 0.419 295 T N 2.246 116.892 114.554 0.154 0.000 2.743 295 T HA 0.241 4.590 4.350 -0.000 0.000 0.292 295 T C 0.213 175.056 174.700 0.239 0.000 0.972 295 T CA -0.067 62.126 62.100 0.155 0.000 0.967 295 T CB 0.311 69.232 68.868 0.089 0.000 0.926 295 T HN 0.560 nan 8.240 nan 0.000 0.459 296 Y N 1.552 121.930 120.300 0.130 0.000 2.500 296 Y HA 0.696 5.246 4.550 -0.000 0.000 0.246 296 Y C 0.482 176.474 175.900 0.154 0.000 1.146 296 Y CA -0.621 57.603 58.100 0.206 0.000 1.230 296 Y CB 0.510 39.124 38.460 0.257 0.000 1.214 296 Y HN 0.674 nan 8.280 nan 0.000 0.526 297 G N -0.606 107.985 108.800 -0.348 0.000 2.600 297 G HA2 0.537 4.497 3.960 -0.000 0.000 0.293 297 G HA3 0.537 4.497 3.960 -0.000 0.000 0.293 297 G C -1.358 173.419 174.900 -0.205 0.000 1.408 297 G CA -0.504 44.429 45.100 -0.279 0.000 0.782 297 G HN 0.590 nan 8.290 nan 0.000 0.482 298 G N -1.039 107.679 108.800 -0.137 0.000 2.720 298 G HA2 0.548 4.508 3.960 -0.000 0.000 0.295 298 G HA3 0.548 4.508 3.960 -0.000 0.000 0.295 298 G C -1.154 173.693 174.900 -0.088 0.000 1.437 298 G CA -0.697 44.342 45.100 -0.100 0.000 0.886 298 G HN 0.542 nan 8.290 nan 0.000 0.509 299 M N 2.180 121.720 119.600 -0.099 0.000 2.055 299 M HA 0.338 4.818 4.480 -0.000 0.000 0.346 299 M C 0.727 176.926 176.300 -0.168 0.000 1.074 299 M CA -0.298 54.935 55.300 -0.112 0.000 1.009 299 M CB 1.183 33.716 32.600 -0.112 0.000 1.423 299 M HN 0.564 nan 8.290 nan 0.000 0.410 300 S N 3.284 118.907 115.700 -0.128 0.000 4.234 300 S HA -0.210 4.260 4.470 -0.000 0.000 0.500 300 S C 0.564 174.977 174.600 -0.312 0.000 1.062 300 S CA 1.219 59.352 58.200 -0.112 0.000 0.852 300 S CB -0.553 62.634 63.200 -0.021 0.000 1.045 300 S HN 0.866 nan 8.310 nan 0.000 0.429 301 F N 0.913 120.857 119.950 -0.010 0.000 3.021 301 F HA -0.241 4.286 4.527 -0.000 0.000 0.256 301 F C -0.170 175.627 175.800 -0.006 0.000 0.976 301 F CA 1.151 59.147 58.000 -0.008 0.000 0.861 301 F CB -1.794 37.203 39.000 -0.006 0.000 0.778 301 F HN 0.658 nan 8.300 nan 0.000 0.765 302 Q N 2.452 122.171 119.800 -0.136 0.000 2.508 302 Q HA 0.372 4.712 4.340 -0.000 0.000 0.247 302 Q C -2.099 173.880 176.000 -0.036 0.000 1.047 302 Q CA -2.086 53.644 55.803 -0.121 0.000 0.783 302 Q CB 1.519 30.140 28.738 -0.195 0.000 1.172 302 Q HN 0.265 nan 8.270 nan 0.000 0.515 303 P HA 0.031 nan 4.420 nan 0.000 0.272 303 P C -0.300 177.013 177.300 0.022 0.000 1.230 303 P CA -0.285 62.829 63.100 0.023 0.000 0.788 303 P CB 0.987 32.712 31.700 0.043 0.000 0.949 304 V N 2.135 122.071 119.914 0.037 0.000 2.529 304 V HA 0.109 4.229 4.120 -0.000 0.000 0.292 304 V C 0.759 176.897 176.094 0.073 0.000 1.028 304 V CA 0.813 63.147 62.300 0.057 0.000 1.074 304 V CB -0.102 31.771 31.823 0.085 0.000 0.958 304 V HN 0.603 nan 8.190 nan 0.000 0.481 305 T N 6.975 121.563 114.554 0.058 0.000 2.864 305 T HA 0.568 4.918 4.350 -0.000 0.000 0.299 305 T C -0.588 174.129 174.700 0.028 0.000 1.011 305 T CA -0.263 61.867 62.100 0.051 0.000 0.975 305 T CB 0.525 69.409 68.868 0.026 0.000 0.962 305 T HN 0.305 nan 8.240 nan 0.000 0.448 306 I N 4.450 125.054 120.570 0.056 0.000 2.498 306 I HA 0.415 4.585 4.170 -0.000 0.000 0.290 306 I C -2.386 173.719 176.117 -0.020 0.000 1.032 306 I CA -3.083 58.184 61.300 -0.055 0.000 1.073 306 I CB 1.563 39.510 38.000 -0.088 0.000 1.251 306 I HN 0.314 nan 8.210 nan 0.000 0.426 307 P HA 0.202 nan 4.420 nan 0.000 0.268 307 P C 0.994 178.305 177.300 0.018 0.000 1.205 307 P CA 0.019 63.097 63.100 -0.037 0.000 0.771 307 P CB 0.706 32.362 31.700 -0.072 0.000 0.858 308 T N 0.786 115.404 114.554 0.106 0.000 2.699 308 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 308 T C 1.818 176.590 174.700 0.120 0.000 1.036 308 T CA 2.158 64.360 62.100 0.170 0.000 1.147 308 T CB -0.627 68.300 68.868 0.099 0.000 0.862 308 T HN 0.637 nan 8.240 nan 0.000 0.446 309 S N 1.803 117.561 115.700 0.096 0.000 2.400 309 S HA -0.040 4.430 4.470 -0.000 0.000 0.232 309 S C 2.060 176.724 174.600 0.107 0.000 1.025 309 S CA 0.867 59.171 58.200 0.173 0.000 0.993 309 S CB -0.814 62.538 63.200 0.253 0.000 0.808 309 S HN 0.482 nan 8.310 nan 0.000 0.478 310 L N -0.705 120.495 121.223 -0.039 0.000 2.056 310 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 310 L C 2.625 179.493 176.870 -0.004 0.000 1.078 310 L CA 1.609 56.364 54.840 -0.141 0.000 0.749 310 L CB -0.865 40.868 42.059 -0.543 0.000 0.901 310 L HN 0.284 nan 8.230 nan 0.000 0.433 311 Y N 0.139 120.491 120.300 0.086 0.000 2.145 311 Y HA -0.219 4.331 4.550 -0.000 0.000 0.286 311 Y C 2.543 178.432 175.900 -0.018 0.000 1.145 311 Y CA 1.168 59.338 58.100 0.117 0.000 1.148 311 Y CB -0.165 38.347 38.460 0.087 0.000 0.981 311 Y HN 0.043 nan 8.280 nan 0.000 0.507 312 I N -1.664 118.902 120.570 -0.007 0.000 2.277 312 I HA -0.243 3.927 4.170 -0.000 0.000 0.243 312 I C 1.414 177.326 176.117 -0.342 0.000 1.094 312 I CA 1.498 62.601 61.300 -0.328 0.000 1.393 312 I CB -0.263 37.293 38.000 -0.741 0.000 1.078 312 I HN 0.138 nan 8.210 nan 0.000 0.417 313 F N 0.159 120.155 119.950 0.078 0.000 2.717 313 F HA 0.136 4.662 4.527 -0.000 0.000 0.295 313 F C 1.674 177.503 175.800 0.048 0.000 1.117 313 F CA 0.067 58.096 58.000 0.049 0.000 1.361 313 F CB 0.310 39.327 39.000 0.028 0.000 1.112 313 F HN -0.187 nan 8.300 nan 0.000 0.594 314 K N 0.114 120.629 120.400 0.192 0.000 2.414 314 K HA 0.112 4.432 4.320 -0.000 0.000 0.204 314 K C -0.090 176.600 176.600 0.151 0.000 1.026 314 K CA -0.112 56.264 56.287 0.148 0.000 1.108 314 K CB -0.219 32.347 32.500 0.109 0.000 0.855 314 K HN 0.003 nan 8.250 nan 0.000 0.517 315 N N 1.455 120.241 118.700 0.144 0.000 2.714 315 N HA -0.249 4.491 4.740 -0.000 0.000 0.252 315 N C -0.915 174.689 175.510 0.158 0.000 1.014 315 N CA 0.160 53.288 53.050 0.131 0.000 0.735 315 N CB -1.671 36.871 38.487 0.092 0.000 0.924 315 N HN 0.295 nan 8.380 nan 0.000 0.540 316 F N 0.436 120.405 119.950 0.033 0.000 2.396 316 F HA 0.520 5.047 4.527 -0.000 0.000 0.343 316 F C 0.400 176.249 175.800 0.081 0.000 1.104 316 F CA 0.022 58.011 58.000 -0.018 0.000 1.161 316 F CB 0.981 39.872 39.000 -0.183 0.000 1.146 316 F HN 0.056 nan 8.300 nan 0.000 0.522 317 T N 4.389 118.516 114.554 -0.712 0.000 2.861 317 T HA 0.393 4.743 4.350 -0.000 0.000 0.287 317 T C -1.114 173.109 174.700 -0.796 0.000 1.003 317 T CA -0.724 61.102 62.100 -0.456 0.000 0.977 317 T CB 1.467 70.213 68.868 -0.205 0.000 0.996 317 T HN 0.584 nan 8.240 nan 0.000 0.448 318 S N 1.432 116.960 115.700 -0.288 0.000 2.519 318 S HA 0.844 5.314 4.470 -0.000 0.000 0.309 318 S C -0.634 173.963 174.600 -0.005 0.000 1.100 318 S CA -0.420 57.708 58.200 -0.120 0.000 1.059 318 S CB 0.598 63.921 63.200 0.205 0.000 1.008 318 S HN 1.006 nan 8.310 nan 0.000 0.478 319 A N 3.342 126.154 122.820 -0.013 0.000 2.552 319 A HA 0.966 5.286 4.320 -0.000 0.000 0.288 319 A C 0.067 177.676 177.584 0.042 0.000 1.193 319 A CA -0.495 51.552 52.037 0.016 0.000 0.713 319 A CB 0.903 19.903 19.000 0.000 0.000 1.305 319 A HN 1.106 nan 8.150 nan 0.000 0.424 320 G N -1.337 107.503 108.800 0.066 0.000 2.471 320 G HA2 0.624 4.584 3.960 -0.000 0.000 0.332 320 G HA3 0.624 4.584 3.960 -0.000 0.000 0.332 320 G C -1.516 173.493 174.900 0.182 0.000 1.176 320 G CA -0.434 44.735 45.100 0.115 0.000 0.949 320 G HN 0.966 nan 8.290 nan 0.000 0.488 321 F N 0.450 120.462 119.950 0.103 0.000 2.561 321 F HA 0.661 5.188 4.527 -0.000 0.000 0.313 321 F C -2.004 173.990 175.800 0.323 0.000 1.126 321 F CA -1.274 56.822 58.000 0.160 0.000 0.918 321 F CB 2.136 41.184 39.000 0.081 0.000 1.199 321 F HN 0.466 nan 8.300 nan 0.000 0.444 322 W N 7.733 128.678 121.300 -0.592 0.000 2.835 322 W HA 0.345 5.005 4.660 -0.000 0.000 0.326 322 W C -0.461 175.744 176.519 -0.522 0.000 1.024 322 W CA -1.261 55.893 57.345 -0.319 0.000 1.267 322 W CB 1.110 30.486 29.460 -0.140 0.000 1.267 322 W HN 0.455 nan 8.180 nan 0.000 0.412 323 V N 4.728 124.485 119.914 -0.260 0.000 2.407 323 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 323 V C 1.824 177.721 176.094 -0.329 0.000 1.055 323 V CA 3.265 65.413 62.300 -0.254 0.000 1.049 323 V CB -0.290 31.624 31.823 0.152 0.000 0.662 323 V HN 0.670 nan 8.190 nan 0.000 0.455 324 T N -0.086 114.154 114.554 -0.524 0.000 2.665 324 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 324 T C 1.801 176.057 174.700 -0.740 0.000 1.035 324 T CA 2.066 63.758 62.100 -0.680 0.000 1.151 324 T CB -0.231 68.038 68.868 -0.999 0.000 0.862 324 T HN 0.612 nan 8.240 nan 0.000 0.438 325 E N 0.711 120.318 120.200 -0.988 0.000 2.076 325 E HA -0.003 4.347 4.350 -0.000 0.000 0.190 325 E C 1.972 178.386 176.600 -0.310 0.000 0.979 325 E CA 0.507 56.555 56.400 -0.587 0.000 0.807 325 E CB -0.525 28.942 29.700 -0.388 0.000 0.761 325 E HN 0.339 nan 8.360 nan 0.000 0.454 326 L N 0.042 121.088 121.223 -0.295 0.000 2.083 326 L HA -0.009 4.330 4.340 -0.000 0.000 0.209 326 L C 1.788 178.565 176.870 -0.154 0.000 1.083 326 L CA 1.630 56.361 54.840 -0.181 0.000 0.752 326 L CB -0.160 41.777 42.059 -0.203 0.000 0.899 326 L HN 0.238 nan 8.230 nan 0.000 0.433 327 L N -0.801 120.317 121.223 -0.174 0.000 2.592 327 L HA 0.073 4.413 4.340 -0.000 0.000 0.227 327 L C 0.889 177.698 176.870 -0.102 0.000 1.127 327 L CA -0.145 54.622 54.840 -0.122 0.000 0.884 327 L CB -0.388 41.610 42.059 -0.102 0.000 1.065 327 L HN 0.100 nan 8.230 nan 0.000 0.457 328 K N 1.855 122.173 120.400 -0.137 0.000 2.447 328 K HA -0.048 4.272 4.320 -0.000 0.000 0.281 328 K C 0.182 176.738 176.600 -0.073 0.000 1.031 328 K CA 0.108 56.331 56.287 -0.108 0.000 1.019 328 K CB 0.253 32.659 32.500 -0.157 0.000 0.918 328 K HN 0.170 nan 8.250 nan 0.000 0.476 329 N N 2.213 120.885 118.700 -0.045 0.000 2.708 329 N HA -0.248 4.492 4.740 -0.000 0.000 0.249 329 N C -1.052 174.440 175.510 -0.031 0.000 1.097 329 N CA 0.799 53.829 53.050 -0.033 0.000 0.710 329 N CB -1.031 37.433 38.487 -0.039 0.000 1.032 329 N HN 0.584 nan 8.380 nan 0.000 0.551 330 N N 0.028 118.706 118.700 -0.036 0.000 2.726 330 N HA 0.180 4.920 4.740 -0.000 0.000 0.253 330 N C 0.688 176.170 175.510 -0.048 0.000 1.530 330 N CA -0.336 52.688 53.050 -0.043 0.000 0.772 330 N CB 0.569 39.022 38.487 -0.058 0.000 1.220 330 N HN 0.146 nan 8.380 nan 0.000 0.508 331 K N 0.077 120.456 120.400 -0.034 0.000 2.097 331 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 331 K C 1.357 177.925 176.600 -0.054 0.000 1.050 331 K CA 1.027 57.288 56.287 -0.043 0.000 0.938 331 K CB 0.399 32.882 32.500 -0.028 0.000 0.718 331 K HN 0.438 nan 8.250 nan 0.000 0.442 332 E N 0.906 121.078 120.200 -0.046 0.000 2.072 332 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 332 E C 1.987 178.551 176.600 -0.061 0.000 0.985 332 E CA 0.646 57.018 56.400 -0.048 0.000 0.801 332 E CB 0.060 29.740 29.700 -0.033 0.000 0.750 332 E HN 0.091 nan 8.360 nan 0.000 0.452 333 L N 1.577 122.761 121.223 -0.064 0.000 2.056 333 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 333 L C 2.306 179.116 176.870 -0.099 0.000 1.078 333 L CA 1.991 56.781 54.840 -0.084 0.000 0.749 333 L CB -0.507 41.481 42.059 -0.118 0.000 0.901 333 L HN 0.019 nan 8.230 nan 0.000 0.433 334 K N -1.401 118.943 120.400 -0.093 0.000 2.032 334 K HA -0.185 4.135 4.320 -0.000 0.000 0.209 334 K C 1.923 178.457 176.600 -0.109 0.000 1.048 334 K CA 2.089 58.319 56.287 -0.095 0.000 0.927 334 K CB -0.311 32.136 32.500 -0.088 0.000 0.712 334 K HN 0.372 nan 8.250 nan 0.000 0.441 335 T N 0.112 114.605 114.554 -0.101 0.000 2.652 335 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 335 T C 1.966 176.590 174.700 -0.128 0.000 1.039 335 T CA 1.835 63.874 62.100 -0.102 0.000 1.153 335 T CB -0.411 68.408 68.868 -0.081 0.000 0.863 335 T HN 0.486 nan 8.240 nan 0.000 0.428 336 S N 0.471 116.095 115.700 -0.128 0.000 2.402 336 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 336 S C 2.103 176.547 174.600 -0.260 0.000 1.021 336 S CA 1.788 59.894 58.200 -0.158 0.000 0.974 336 S CB -0.726 62.408 63.200 -0.110 0.000 0.800 336 S HN 0.486 nan 8.310 nan 0.000 0.484 337 T N 2.551 116.940 114.554 -0.274 0.000 2.770 337 T HA 0.067 4.417 4.350 -0.000 0.000 0.263 337 T C 1.672 176.112 174.700 -0.434 0.000 1.039 337 T CA 1.239 63.064 62.100 -0.460 0.000 1.142 337 T CB -0.621 68.068 68.868 -0.298 0.000 0.868 337 T HN 0.300 nan 8.240 nan 0.000 0.435 338 L N 2.194 123.261 121.223 -0.260 0.000 2.013 338 L HA -0.157 4.182 4.340 -0.000 0.000 0.212 338 L C 2.006 178.753 176.870 -0.205 0.000 1.073 338 L CA 1.721 56.447 54.840 -0.191 0.000 0.753 338 L CB -0.783 41.207 42.059 -0.115 0.000 0.890 338 L HN 0.134 nan 8.230 nan 0.000 0.432 339 N N -0.787 117.784 118.700 -0.215 0.000 2.104 339 N HA -0.234 4.506 4.740 -0.000 0.000 0.190 339 N C 1.838 177.165 175.510 -0.306 0.000 1.024 339 N CA 1.359 54.287 53.050 -0.204 0.000 0.853 339 N CB -0.327 38.056 38.487 -0.174 0.000 1.008 339 N HN 0.451 nan 8.380 nan 0.000 0.424 340 Q N 0.562 120.075 119.800 -0.478 0.000 2.079 340 Q HA 0.047 4.387 4.340 -0.000 0.000 0.200 340 Q C 1.782 177.309 176.000 -0.788 0.000 0.974 340 Q CA 0.963 56.306 55.803 -0.767 0.000 0.840 340 Q CB -0.187 27.928 28.738 -1.038 0.000 0.898 340 Q HN 0.215 nan 8.270 nan 0.000 0.430 341 I N 0.344 120.582 120.570 -0.552 0.000 2.226 341 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 341 I C 2.245 178.285 176.117 -0.128 0.000 1.100 341 I CA 1.151 62.264 61.300 -0.311 0.000 1.374 341 I CB -1.105 36.749 38.000 -0.244 0.000 1.057 341 I HN 0.287 nan 8.210 nan 0.000 0.413 342 I N 1.074 121.610 120.570 -0.057 0.000 2.163 342 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 342 I C 2.717 178.882 176.117 0.079 0.000 1.085 342 I CA 1.637 62.989 61.300 0.086 0.000 1.347 342 I CB -0.444 37.574 38.000 0.030 0.000 1.044 342 I HN 0.140 nan 8.210 nan 0.000 0.408 343 A N -0.061 122.730 122.820 -0.050 0.000 1.933 343 A HA -0.204 4.115 4.320 -0.000 0.000 0.218 343 A C 2.037 179.694 177.584 0.121 0.000 1.175 343 A CA 1.183 53.209 52.037 -0.019 0.000 0.628 343 A CB -0.802 18.119 19.000 -0.132 0.000 0.814 343 A HN 0.533 nan 8.150 nan 0.000 0.444 344 W N -0.991 120.277 121.300 -0.054 0.000 2.388 344 W HA -0.043 4.617 4.660 -0.000 0.000 0.294 344 W C 2.081 178.584 176.519 -0.026 0.000 1.212 344 W CA 0.538 57.838 57.345 -0.076 0.000 1.271 344 W CB -1.298 28.069 29.460 -0.155 0.000 1.126 344 W HN 0.569 nan 8.180 nan 0.000 0.535 345 Y N 0.530 120.976 120.300 0.243 0.000 2.181 345 Y HA -0.231 4.319 4.550 -0.000 0.000 0.288 345 Y C 2.444 178.414 175.900 0.117 0.000 1.146 345 Y CA 1.527 59.723 58.100 0.159 0.000 1.164 345 Y CB -0.437 38.104 38.460 0.134 0.000 0.982 345 Y HN -0.020 nan 8.280 nan 0.000 0.515 346 E N 0.150 120.507 120.200 0.262 0.000 2.110 346 E HA -0.219 4.130 4.350 -0.000 0.000 0.193 346 E C 1.469 178.147 176.600 0.129 0.000 0.988 346 E CA 1.389 57.880 56.400 0.153 0.000 0.804 346 E CB -0.114 29.646 29.700 0.100 0.000 0.745 346 E HN 0.576 nan 8.360 nan 0.000 0.458 347 E N -0.731 119.560 120.200 0.153 0.000 2.489 347 E HA 0.068 4.418 4.350 -0.000 0.000 0.193 347 E C 0.712 177.372 176.600 0.100 0.000 1.057 347 E CA 0.273 56.747 56.400 0.123 0.000 0.866 347 E CB 0.599 30.393 29.700 0.157 0.000 0.916 347 E HN 0.344 nan 8.360 nan 0.000 0.500 348 G N 1.797 110.669 108.800 0.121 0.000 2.176 348 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.252 348 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.252 348 G C 0.738 175.665 174.900 0.045 0.000 1.024 348 G CA 0.689 45.845 45.100 0.093 0.000 0.755 348 G HN 0.268 nan 8.290 nan 0.000 0.507 349 K N -1.522 118.888 120.400 0.018 0.000 2.354 349 K HA 0.470 4.789 4.320 -0.000 0.000 0.194 349 K C 0.444 176.935 176.600 -0.183 0.000 1.038 349 K CA 0.071 56.274 56.287 -0.140 0.000 1.052 349 K CB 0.616 32.927 32.500 -0.314 0.000 0.861 349 K HN 0.318 nan 8.250 nan 0.000 0.535 350 L N -0.052 121.141 121.223 -0.050 0.000 2.401 350 L HA 0.391 4.731 4.340 -0.000 0.000 0.266 350 L C -1.097 175.881 176.870 0.181 0.000 0.991 350 L CA -0.251 54.569 54.840 -0.033 0.000 0.818 350 L CB 2.438 44.378 42.059 -0.198 0.000 1.321 350 L HN -0.230 nan 8.230 nan 0.000 0.413 351 T N 2.109 116.799 114.554 0.227 0.000 2.876 351 T HA 0.566 4.916 4.350 -0.000 0.000 0.289 351 T C -1.420 173.486 174.700 0.342 0.000 1.014 351 T CA -0.697 61.588 62.100 0.308 0.000 0.986 351 T CB 0.816 69.773 68.868 0.148 0.000 1.021 351 T HN 0.744 nan 8.240 nan 0.000 0.458 352 D N 2.515 123.139 120.400 0.372 0.000 2.277 352 D HA 0.543 5.183 4.640 -0.000 0.000 0.250 352 D C 0.027 176.368 176.300 0.069 0.000 1.032 352 D CA -0.664 53.497 54.000 0.270 0.000 0.947 352 D CB 1.405 42.398 40.800 0.322 0.000 1.159 352 D HN 0.652 nan 8.370 nan 0.000 0.460 353 A N 1.509 124.317 122.820 -0.020 0.000 2.388 353 A HA 0.236 4.556 4.320 -0.000 0.000 0.257 353 A C 0.449 178.046 177.584 0.021 0.000 1.095 353 A CA -0.612 51.414 52.037 -0.019 0.000 0.791 353 A CB 0.255 19.227 19.000 -0.047 0.000 1.029 353 A HN 0.397 nan 8.150 nan 0.000 0.489 354 K N 1.814 122.222 120.400 0.012 0.000 2.350 354 K HA 0.240 4.559 4.320 -0.000 0.000 0.279 354 K C 0.135 176.740 176.600 0.008 0.000 1.027 354 K CA 0.215 56.508 56.287 0.011 0.000 0.969 354 K CB 0.821 33.323 32.500 0.003 0.000 0.954 354 K HN 0.612 nan 8.250 nan 0.000 0.474 355 S N 1.882 117.585 115.700 0.005 0.000 2.646 355 S HA 0.390 4.860 4.470 -0.000 0.000 0.276 355 S C 0.559 175.145 174.600 -0.024 0.000 1.222 355 S CA -0.724 57.474 58.200 -0.005 0.000 1.014 355 S CB 0.629 63.826 63.200 -0.005 0.000 0.991 355 S HN 0.341 nan 8.310 nan 0.000 0.533 356 I N 2.531 123.080 120.570 -0.035 0.000 2.337 356 I HA 0.164 4.334 4.170 -0.000 0.000 0.291 356 I C 0.384 176.453 176.117 -0.080 0.000 1.046 356 I CA 0.150 61.418 61.300 -0.053 0.000 1.324 356 I CB 0.462 38.431 38.000 -0.053 0.000 1.409 356 I HN 0.523 nan 8.210 nan 0.000 0.494 357 E N 5.031 125.180 120.200 -0.086 0.000 2.175 357 E HA 0.393 4.742 4.350 -0.000 0.000 0.278 357 E C -0.837 175.680 176.600 -0.138 0.000 0.969 357 E CA -0.559 55.773 56.400 -0.113 0.000 0.796 357 E CB 1.663 31.309 29.700 -0.091 0.000 1.104 357 E HN 0.450 nan 8.360 nan 0.000 0.395 358 T N 3.393 117.830 114.554 -0.195 0.000 2.815 358 T HA 0.189 4.539 4.350 -0.000 0.000 0.289 358 T C -0.567 173.983 174.700 -0.250 0.000 1.000 358 T CA -0.693 61.280 62.100 -0.212 0.000 0.958 358 T CB 0.727 69.443 68.868 -0.255 0.000 0.944 358 T HN 0.124 nan 8.240 nan 0.000 0.442 359 L N 4.419 125.527 121.223 -0.192 0.000 2.290 359 L HA 0.412 4.752 4.340 -0.000 0.000 0.284 359 L C -0.647 176.121 176.870 -0.170 0.000 1.078 359 L CA -0.875 53.852 54.840 -0.188 0.000 0.815 359 L CB 0.214 42.198 42.059 -0.125 0.000 1.162 359 L HN 0.713 nan 8.230 nan 0.000 0.435 360 Y N 4.809 124.889 120.300 -0.367 0.000 2.486 360 Y HA 0.165 4.715 4.550 -0.000 0.000 0.348 360 Y C 0.802 176.632 175.900 -0.116 0.000 1.000 360 Y CA -0.504 57.436 58.100 -0.268 0.000 1.253 360 Y CB 0.449 38.692 38.460 -0.361 0.000 1.140 360 Y HN 0.719 nan 8.280 nan 0.000 0.526 361 D N 2.475 122.575 120.400 -0.500 0.000 2.433 361 D HA 0.183 4.823 4.640 -0.000 0.000 0.211 361 D C 1.536 177.505 176.300 -0.552 0.000 1.114 361 D CA 0.421 54.177 54.000 -0.407 0.000 0.837 361 D CB 0.129 40.800 40.800 -0.214 0.000 0.984 361 D HN 0.794 nan 8.370 nan 0.000 0.505 362 G N 0.390 108.571 108.800 -1.031 0.000 2.176 362 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.253 362 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.253 362 G C 1.199 175.947 174.900 -0.254 0.000 0.979 362 G CA 0.899 45.611 45.100 -0.647 0.000 0.641 362 G HN 0.588 nan 8.290 nan 0.000 0.530 363 T N -2.390 112.033 114.554 -0.218 0.000 3.023 363 T HA 0.306 4.656 4.350 -0.000 0.000 0.266 363 T C 0.872 175.541 174.700 -0.052 0.000 1.093 363 T CA 1.628 63.667 62.100 -0.101 0.000 1.129 363 T CB 0.467 69.280 68.868 -0.092 0.000 0.899 363 T HN 0.649 nan 8.240 nan 0.000 0.491 364 K N 1.609 121.982 120.400 -0.045 0.000 2.427 364 K HA 0.515 4.835 4.320 -0.000 0.000 0.252 364 K C -3.228 173.437 176.600 0.109 0.000 0.931 364 K CA -2.574 53.717 56.287 0.007 0.000 0.793 364 K CB 1.854 34.338 32.500 -0.028 0.000 1.211 364 K HN -0.137 nan 8.250 nan 0.000 0.426 365 P HA -0.100 nan 4.420 nan 0.000 0.262 365 P C 0.507 177.886 177.300 0.131 0.000 1.182 365 P CA -0.151 63.045 63.100 0.161 0.000 0.761 365 P CB 0.476 32.233 31.700 0.096 0.000 0.795 366 L N 4.931 126.295 121.223 0.235 0.000 2.043 366 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 366 L C 2.384 179.345 176.870 0.151 0.000 1.075 366 L CA 1.962 56.843 54.840 0.069 0.000 0.752 366 L CB -1.260 40.716 42.059 -0.139 0.000 0.891 366 L HN 0.577 nan 8.230 nan 0.000 0.432 367 H N -1.267 117.895 119.070 0.155 0.000 2.456 367 H HA -0.139 4.417 4.556 -0.000 0.000 0.296 367 H C 1.684 177.103 175.328 0.151 0.000 1.079 367 H CA 1.638 57.791 56.048 0.176 0.000 1.322 367 H CB -0.421 29.418 29.762 0.129 0.000 1.388 367 H HN 0.567 nan 8.280 nan 0.000 0.538 368 E N 0.353 120.270 120.200 -0.472 0.000 2.107 368 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 368 E C 2.290 178.796 176.600 -0.156 0.000 0.982 368 E CA 0.593 56.803 56.400 -0.316 0.000 0.809 368 E CB 0.136 29.637 29.700 -0.331 0.000 0.756 368 E HN 0.249 nan 8.360 nan 0.000 0.459 369 L N -0.114 121.012 121.223 -0.162 0.000 2.042 369 L HA -0.209 4.130 4.340 -0.000 0.000 0.210 369 L C 1.991 178.641 176.870 -0.366 0.000 1.076 369 L CA 1.707 56.385 54.840 -0.270 0.000 0.749 369 L CB -0.651 41.187 42.059 -0.367 0.000 0.893 369 L HN 0.187 nan 8.230 nan 0.000 0.432 370 Y N -0.908 119.241 120.300 -0.251 0.000 2.286 370 Y HA -0.174 4.376 4.550 -0.000 0.000 0.293 370 Y C 2.665 178.450 175.900 -0.192 0.000 1.124 370 Y CA 0.922 58.796 58.100 -0.377 0.000 1.178 370 Y CB -0.223 37.894 38.460 -0.572 0.000 1.010 370 Y HN 0.221 nan 8.280 nan 0.000 0.536 371 Q N 0.049 119.885 119.800 0.061 0.000 2.084 371 Q HA -0.206 4.133 4.340 -0.000 0.000 0.202 371 Q C 1.549 177.550 176.000 0.003 0.000 0.978 371 Q CA 1.656 57.498 55.803 0.065 0.000 0.844 371 Q CB -0.126 28.661 28.738 0.082 0.000 0.898 371 Q HN 0.432 nan 8.270 nan 0.000 0.426 372 D N -0.218 120.151 120.400 -0.050 0.000 2.097 372 D HA -0.123 4.517 4.640 -0.000 0.000 0.195 372 D C 1.858 178.113 176.300 -0.075 0.000 0.989 372 D CA 1.442 55.403 54.000 -0.065 0.000 0.827 372 D CB -0.604 40.138 40.800 -0.096 0.000 0.966 372 D HN 0.382 nan 8.370 nan 0.000 0.456 373 G N 0.586 109.312 108.800 -0.125 0.000 2.440 373 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 373 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 373 G C 1.868 176.742 174.900 -0.042 0.000 1.154 373 G CA 0.912 45.938 45.100 -0.123 0.000 0.767 373 G HN 0.241 nan 8.290 nan 0.000 0.552 374 V N 1.586 121.499 119.914 -0.003 0.000 2.261 374 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 374 V C 3.350 179.464 176.094 0.032 0.000 1.047 374 V CA 2.095 64.426 62.300 0.051 0.000 1.015 374 V CB -0.974 30.909 31.823 0.100 0.000 0.642 374 V HN 0.471 nan 8.190 nan 0.000 0.446 375 A N 0.215 123.047 122.820 0.020 0.000 1.978 375 A HA -0.196 4.123 4.320 -0.000 0.000 0.220 375 A C 1.726 179.312 177.584 0.004 0.000 1.170 375 A CA 1.965 54.011 52.037 0.014 0.000 0.636 375 A CB -0.526 18.479 19.000 0.009 0.000 0.810 375 A HN 0.607 nan 8.150 nan 0.000 0.448 376 N N -0.182 118.512 118.700 -0.009 0.000 2.276 376 N HA 0.016 4.756 4.740 -0.000 0.000 0.212 376 N C 1.457 176.962 175.510 -0.008 0.000 1.127 376 N CA 0.791 53.833 53.050 -0.014 0.000 0.834 376 N CB 0.108 38.575 38.487 -0.033 0.000 1.014 376 N HN 0.617 nan 8.380 nan 0.000 0.491 377 S N 0.716 116.420 115.700 0.007 0.000 2.402 377 S HA -0.149 4.321 4.470 -0.000 0.000 0.233 377 S C 1.635 176.245 174.600 0.016 0.000 1.030 377 S CA 0.931 59.141 58.200 0.018 0.000 1.003 377 S CB -0.119 63.102 63.200 0.035 0.000 0.813 377 S HN 0.219 nan 8.310 nan 0.000 0.477 378 K N 0.879 121.286 120.400 0.012 0.000 2.362 378 K HA -0.031 4.289 4.320 -0.000 0.000 0.200 378 K C 1.240 177.843 176.600 0.004 0.000 1.046 378 K CA 1.164 57.457 56.287 0.010 0.000 0.952 378 K CB -0.228 32.277 32.500 0.008 0.000 0.753 378 K HN 0.405 nan 8.250 nan 0.000 0.466 379 D N 0.079 120.479 120.400 -0.001 0.000 2.219 379 D HA -0.015 4.624 4.640 -0.000 0.000 0.205 379 D C 0.965 177.263 176.300 -0.005 0.000 0.970 379 D CA 0.967 54.963 54.000 -0.006 0.000 0.851 379 D CB 0.276 41.066 40.800 -0.015 0.000 0.943 379 D HN 0.344 nan 8.370 nan 0.000 0.488 380 G N -0.366 108.435 108.800 0.001 0.000 2.359 380 G HA2 0.047 4.007 3.960 -0.000 0.000 0.314 380 G HA3 0.047 4.007 3.960 -0.000 0.000 0.314 380 G C -1.274 173.632 174.900 0.010 0.000 1.364 380 G CA -1.016 44.087 45.100 0.005 0.000 0.978 380 G HN 0.038 nan 8.290 nan 0.000 0.615 381 K N 0.981 121.393 120.400 0.020 0.000 2.472 381 K HA 0.302 4.622 4.320 -0.000 0.000 0.280 381 K C 0.251 176.853 176.600 0.004 0.000 1.028 381 K CA 0.377 56.684 56.287 0.032 0.000 1.045 381 K CB 0.374 32.906 32.500 0.053 0.000 0.902 381 K HN 0.402 nan 8.250 nan 0.000 0.478 382 Q N 3.924 123.721 119.800 -0.005 0.000 2.303 382 Q HA 0.266 4.606 4.340 -0.000 0.000 0.257 382 Q C -0.887 175.070 176.000 -0.072 0.000 0.941 382 Q CA -0.832 54.935 55.803 -0.060 0.000 0.931 382 Q CB 1.418 30.103 28.738 -0.089 0.000 1.215 382 Q HN 0.495 nan 8.270 nan 0.000 0.437 383 L N 4.144 125.306 121.223 -0.102 0.000 2.319 383 L HA 0.413 4.753 4.340 -0.000 0.000 0.281 383 L C -1.165 175.573 176.870 -0.219 0.000 1.005 383 L CA -0.582 54.193 54.840 -0.109 0.000 0.828 383 L CB 1.037 43.056 42.059 -0.066 0.000 1.227 383 L HN 0.426 nan 8.230 nan 0.000 0.415 384 I N 4.431 124.811 120.570 -0.317 0.000 2.352 384 I HA 0.408 4.578 4.170 -0.000 0.000 0.290 384 I C 0.690 176.578 176.117 -0.381 0.000 1.036 384 I CA 0.249 61.248 61.300 -0.502 0.000 1.336 384 I CB 1.327 38.751 38.000 -0.959 0.000 1.407 384 I HN 0.758 nan 8.210 nan 0.000 0.497 385 T N 2.957 117.262 114.554 -0.414 0.000 2.949 385 T HA 0.774 5.124 4.350 -0.000 0.000 0.287 385 T C -0.588 173.838 174.700 -0.456 0.000 1.034 385 T CA -0.616 61.319 62.100 -0.276 0.000 1.018 385 T CB 1.500 70.280 68.868 -0.146 0.000 1.135 385 T HN 0.265 nan 8.240 nan 0.000 0.532 386 Y N 0.000 120.275 120.300 -0.042 0.000 2.660 386 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 386 Y CA 0.000 58.107 58.100 0.012 0.000 1.940 386 Y CB 0.000 38.453 38.460 -0.011 0.000 1.050 386 Y HN 0.000 nan 8.280 nan 0.000 0.758