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 3iko_1_I DATA FIRST_RESID 7 DATA SEQUENCE YQTERFTKFS DTLKEFKIEQ NNEQXXXDPF NIIREFRSAA GQLALDLANS DATA SEQUENCE GDESNVISSK DWELEARFWH LVELLLVFRN ADLDLDEMEL HPYNSRGLFE DATA SEQUENCE KKLMQDNKQL YQIWIVMVWL KENTYVMERP KNVPTSKWLN SITSGGLKSC DATA SEQUENCE DLDFPLRENT NVLDVKDKEE DHIFFKYIYE LILAGAIDEA LEEAKLSDNI DATA SEQUENCE SICMILCGIQ EYLNPVIDTQ IANEFNTQQG IKKHSLWRRT VYSLSQQAGL DATA SEQUENCE DPYERAIYSY LSGAIPNQEV LQYSDWESDL HIHLNQILQT EIENYLLENN DATA SEQUENCE QVGTDELILP LPSHALTVQE VLNRVASRHP SESEHPIRVL MASVILDSLP DATA SEQUENCE SVIHSSVEML LXXXXXXXXX XXXXDKPYLL RIVTHLAICL DIINPGSVEE DATA SEQUENCE VDKSKLITTY ISLLKLQGLY ENIPIYATFL 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 7 Y HA 0.000 nan 4.550 nan 0.000 0.201 7 Y C 0.000 175.918 175.900 0.030 0.000 1.272 7 Y CA 0.000 58.111 58.100 0.018 0.000 1.940 7 Y CB 0.000 38.460 38.460 0.000 0.000 1.050 8 Q N 0.528 120.456 119.800 0.213 0.000 2.340 8 Q HA -0.219 4.120 4.340 -0.000 0.000 0.215 8 Q C 0.654 176.758 176.000 0.173 0.000 0.998 8 Q CA 2.180 58.060 55.803 0.129 0.000 0.921 8 Q CB -0.435 28.361 28.738 0.098 0.000 0.926 8 Q HN 0.476 nan 8.270 nan 0.000 0.426 9 T N 0.596 115.261 114.554 0.185 0.000 3.496 9 T HA -0.048 4.302 4.350 -0.000 0.000 0.253 9 T C 0.684 175.536 174.700 0.252 0.000 1.134 9 T CA 0.789 63.039 62.100 0.251 0.000 0.993 9 T CB -0.394 68.554 68.868 0.133 0.000 1.018 9 T HN 0.515 nan 8.240 nan 0.000 0.571 10 E N 0.673 121.004 120.200 0.217 0.000 2.558 10 E HA 0.101 4.450 4.350 -0.000 0.000 0.205 10 E C 1.663 178.365 176.600 0.169 0.000 1.006 10 E CA -0.516 55.992 56.400 0.179 0.000 0.961 10 E CB 0.133 29.909 29.700 0.126 0.000 1.044 10 E HN 0.496 nan 8.360 nan 0.000 0.465 11 R N 0.455 121.092 120.500 0.228 0.000 2.055 11 R HA -0.012 4.328 4.340 -0.000 0.000 0.228 11 R C 1.291 177.660 176.300 0.115 0.000 1.143 11 R CA 1.295 57.399 56.100 0.007 0.000 0.945 11 R CB -1.053 29.208 30.300 -0.065 0.000 0.841 11 R HN 0.034 nan 8.270 nan 0.000 0.429 12 F N 2.488 122.596 119.950 0.264 0.000 2.346 12 F HA -0.156 4.371 4.527 -0.000 0.000 0.301 12 F C 2.178 178.182 175.800 0.340 0.000 1.070 12 F CA 1.284 59.529 58.000 0.409 0.000 1.407 12 F CB -1.226 37.968 39.000 0.324 0.000 1.072 12 F HN 0.059 nan 8.300 nan 0.000 0.543 13 T N 0.518 115.309 114.554 0.395 0.000 2.542 13 T HA -0.201 4.149 4.350 -0.000 0.000 0.257 13 T C 1.923 176.743 174.700 0.199 0.000 1.111 13 T CA 1.506 63.758 62.100 0.254 0.000 1.203 13 T CB -0.382 68.582 68.868 0.159 0.000 0.866 13 T HN 0.190 nan 8.240 nan 0.000 0.399 14 K N 0.467 120.891 120.400 0.039 0.000 2.144 14 K HA -0.157 4.163 4.320 -0.000 0.000 0.209 14 K C 2.105 178.741 176.600 0.059 0.000 1.047 14 K CA 1.695 57.954 56.287 -0.048 0.000 0.927 14 K CB -0.491 31.854 32.500 -0.258 0.000 0.716 14 K HN 0.362 nan 8.250 nan 0.000 0.454 15 F N 0.277 120.335 119.950 0.181 0.000 2.128 15 F HA -0.198 4.329 4.527 -0.000 0.000 0.295 15 F C 3.036 179.077 175.800 0.402 0.000 1.100 15 F CA 0.741 58.874 58.000 0.222 0.000 1.260 15 F CB -0.265 38.700 39.000 -0.058 0.000 1.009 15 F HN 0.047 nan 8.300 nan 0.000 0.476 16 S N 0.116 116.217 115.700 0.669 0.000 2.348 16 S HA -0.206 4.264 4.470 -0.000 0.000 0.221 16 S C 1.712 176.535 174.600 0.372 0.000 1.033 16 S CA 1.795 60.355 58.200 0.600 0.000 1.010 16 S CB -0.523 63.072 63.200 0.659 0.000 0.891 16 S HN 0.279 nan 8.310 nan 0.000 0.442 17 D N 0.486 121.061 120.400 0.292 0.000 2.265 17 D HA -0.066 4.574 4.640 -0.000 0.000 0.208 17 D C 1.631 178.027 176.300 0.161 0.000 0.977 17 D CA 1.293 55.408 54.000 0.192 0.000 0.871 17 D CB -0.502 40.381 40.800 0.139 0.000 0.925 17 D HN 0.453 nan 8.370 nan 0.000 0.485 18 T N 0.438 115.106 114.554 0.190 0.000 3.054 18 T HA 0.099 4.449 4.350 -0.000 0.000 0.259 18 T C 2.133 176.890 174.700 0.096 0.000 1.092 18 T CA -0.049 62.116 62.100 0.107 0.000 1.121 18 T CB 0.352 69.266 68.868 0.078 0.000 0.912 18 T HN 0.102 nan 8.240 nan 0.000 0.489 19 L N 0.622 121.955 121.223 0.184 0.000 2.068 19 L HA 0.078 4.417 4.340 -0.000 0.000 0.204 19 L C 2.635 179.605 176.870 0.167 0.000 1.076 19 L CA 1.150 56.092 54.840 0.169 0.000 0.753 19 L CB -0.255 41.897 42.059 0.154 0.000 0.910 19 L HN 0.136 nan 8.230 nan 0.000 0.439 20 K N 0.582 121.074 120.400 0.154 0.000 1.991 20 K HA -0.253 4.067 4.320 -0.000 0.000 0.212 20 K C 1.818 178.478 176.600 0.099 0.000 1.049 20 K CA 1.968 58.326 56.287 0.119 0.000 0.932 20 K CB -0.130 32.447 32.500 0.127 0.000 0.717 20 K HN 0.251 nan 8.250 nan 0.000 0.441 21 E N -0.599 119.666 120.200 0.108 0.000 2.233 21 E HA -0.229 4.121 4.350 -0.000 0.000 0.199 21 E C 1.757 178.430 176.600 0.123 0.000 1.004 21 E CA 1.320 57.775 56.400 0.092 0.000 0.819 21 E CB -0.173 29.578 29.700 0.086 0.000 0.738 21 E HN 0.325 nan 8.360 nan 0.000 0.478 22 F N 1.409 121.345 119.950 -0.025 0.000 2.123 22 F HA 0.017 4.544 4.527 -0.000 0.000 0.289 22 F C 2.191 177.969 175.800 -0.037 0.000 1.099 22 F CA 1.193 59.167 58.000 -0.044 0.000 1.234 22 F CB -0.200 38.759 39.000 -0.069 0.000 1.034 22 F HN -0.306 nan 8.300 nan 0.000 0.479 23 K N 0.041 120.418 120.400 -0.040 0.000 2.228 23 K HA -0.182 4.137 4.320 -0.000 0.000 0.205 23 K C 1.401 177.909 176.600 -0.155 0.000 1.045 23 K CA 1.467 57.667 56.287 -0.144 0.000 0.931 23 K CB -0.032 32.448 32.500 -0.032 0.000 0.727 23 K HN 0.252 nan 8.250 nan 0.000 0.458 24 I N 0.313 120.826 120.570 -0.095 0.000 5.146 24 I HA -0.066 4.103 4.170 -0.000 0.000 0.233 24 I C 1.890 177.955 176.117 -0.086 0.000 0.965 24 I CA 0.568 61.824 61.300 -0.074 0.000 1.750 24 I CB -1.336 36.651 38.000 -0.022 0.000 1.492 24 I HN 0.115 nan 8.210 nan 0.000 0.465 25 E N 1.183 121.358 120.200 -0.042 0.000 2.132 25 E HA -0.310 4.039 4.350 -0.000 0.000 0.218 25 E C 1.760 178.321 176.600 -0.064 0.000 1.058 25 E CA 1.738 58.119 56.400 -0.032 0.000 0.882 25 E CB -0.333 29.370 29.700 0.004 0.000 0.774 25 E HN 0.471 nan 8.360 nan 0.000 0.467 26 Q N 0.105 119.846 119.800 -0.099 0.000 2.435 26 Q HA 0.006 4.345 4.340 -0.000 0.000 0.207 26 Q C 0.718 176.559 176.000 -0.265 0.000 0.956 26 Q CA 0.592 56.303 55.803 -0.154 0.000 0.917 26 Q CB -0.085 28.583 28.738 -0.118 0.000 0.997 26 Q HN 0.287 nan 8.270 nan 0.000 0.497 27 N N 1.176 119.708 118.700 -0.281 0.000 2.362 27 N HA 0.007 4.747 4.740 -0.000 0.000 0.204 27 N C -0.395 175.025 175.510 -0.150 0.000 1.166 27 N CA 0.049 52.945 53.050 -0.256 0.000 0.831 27 N CB 0.332 38.664 38.487 -0.259 0.000 1.008 27 N HN 0.075 nan 8.380 nan 0.000 0.472 28 N N 0.808 119.437 118.700 -0.117 0.000 2.628 28 N HA 0.043 4.783 4.740 -0.000 0.000 0.299 28 N C -1.016 174.457 175.510 -0.062 0.000 1.834 28 N CA -0.149 52.856 53.050 -0.076 0.000 0.871 28 N CB 0.375 38.827 38.487 -0.059 0.000 1.377 28 N HN 0.255 nan 8.380 nan 0.000 0.493 29 E N 1.274 121.432 120.200 -0.071 0.000 3.249 29 E HA -0.241 4.109 4.350 -0.000 0.000 0.314 29 E C 0.055 176.637 176.600 -0.029 0.000 0.950 29 E CA 1.066 57.436 56.400 -0.050 0.000 1.019 29 E CB 0.277 29.948 29.700 -0.047 0.000 1.090 29 E HN 0.259 nan 8.360 nan 0.000 0.479 35 P HA -0.038 nan 4.420 nan 0.000 0.218 35 P C 0.983 177.996 177.300 -0.477 0.000 1.146 35 P CA 1.070 63.872 63.100 -0.496 0.000 0.813 35 P CB -0.142 31.269 31.700 -0.482 0.000 0.778 36 F N -1.029 118.836 119.950 -0.143 0.000 2.664 36 F HA -0.104 4.423 4.527 -0.000 0.000 0.297 36 F C 1.941 177.654 175.800 -0.146 0.000 1.164 36 F CA 0.315 58.249 58.000 -0.111 0.000 1.472 36 F CB -0.545 38.432 39.000 -0.038 0.000 1.108 36 F HN 0.037 nan 8.300 nan 0.000 0.596 37 N N 0.445 119.097 118.700 -0.080 0.000 2.376 37 N HA -0.013 4.727 4.740 -0.000 0.000 0.177 37 N C 1.949 177.294 175.510 -0.274 0.000 1.024 37 N CA 0.702 53.681 53.050 -0.118 0.000 0.893 37 N CB 0.082 38.513 38.487 -0.093 0.000 0.980 37 N HN 0.319 nan 8.380 nan 0.000 0.439 38 I N 1.987 122.258 120.570 -0.498 0.000 2.069 38 I HA -0.302 3.868 4.170 -0.000 0.000 0.237 38 I C 2.208 177.820 176.117 -0.840 0.000 1.053 38 I CA 1.314 62.127 61.300 -0.811 0.000 1.311 38 I CB -0.510 36.899 38.000 -0.985 0.000 1.030 38 I HN 0.017 nan 8.210 nan 0.000 0.398 39 I N 0.253 120.544 120.570 -0.466 0.000 2.151 39 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 39 I C 2.801 178.915 176.117 -0.004 0.000 1.080 39 I CA 1.544 62.781 61.300 -0.105 0.000 1.339 39 I CB -0.736 37.363 38.000 0.164 0.000 1.039 39 I HN 0.212 nan 8.210 nan 0.000 0.409 40 R N 1.128 121.620 120.500 -0.012 0.000 2.094 40 R HA -0.204 4.135 4.340 -0.000 0.000 0.239 40 R C 2.319 178.624 176.300 0.009 0.000 1.137 40 R CA 1.933 58.051 56.100 0.030 0.000 0.943 40 R CB -0.129 30.180 30.300 0.015 0.000 0.850 40 R HN 0.424 nan 8.270 nan 0.000 0.433 41 E N -0.567 119.590 120.200 -0.072 0.000 2.072 41 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 41 E C 1.959 178.596 176.600 0.061 0.000 0.985 41 E CA 1.120 57.497 56.400 -0.038 0.000 0.801 41 E CB -0.193 29.450 29.700 -0.094 0.000 0.750 41 E HN 0.396 nan 8.360 nan 0.000 0.452 42 F N 1.181 121.038 119.950 -0.155 0.000 2.085 42 F HA -0.339 4.188 4.527 -0.000 0.000 0.299 42 F C 2.849 178.598 175.800 -0.084 0.000 1.096 42 F CA 1.009 58.842 58.000 -0.278 0.000 1.227 42 F CB -0.133 38.222 39.000 -1.075 0.000 0.983 42 F HN 0.042 nan 8.300 nan 0.000 0.482 43 R N 0.212 120.838 120.500 0.210 0.000 2.096 43 R HA -0.215 4.125 4.340 -0.000 0.000 0.229 43 R C 2.513 178.962 176.300 0.249 0.000 1.134 43 R CA 1.870 58.190 56.100 0.365 0.000 0.917 43 R CB -0.960 29.517 30.300 0.295 0.000 0.832 43 R HN 0.112 nan 8.270 nan 0.000 0.430 44 S N -0.233 115.546 115.700 0.132 0.000 2.389 44 S HA -0.281 4.189 4.470 -0.000 0.000 0.231 44 S C 1.883 176.503 174.600 0.034 0.000 1.052 44 S CA 1.680 59.917 58.200 0.062 0.000 1.053 44 S CB -0.405 62.809 63.200 0.023 0.000 0.886 44 S HN 0.576 nan 8.310 nan 0.000 0.456 45 A N 1.484 124.323 122.820 0.031 0.000 1.834 45 A HA 0.118 4.438 4.320 -0.000 0.000 0.216 45 A C 2.520 180.011 177.584 -0.155 0.000 1.203 45 A CA 2.176 54.145 52.037 -0.112 0.000 0.621 45 A CB -1.642 17.231 19.000 -0.213 0.000 0.841 45 A HN 0.876 nan 8.150 nan 0.000 0.446 46 A N -0.793 122.059 122.820 0.053 0.000 2.032 46 A HA 0.066 4.386 4.320 -0.000 0.000 0.221 46 A C 2.321 179.996 177.584 0.152 0.000 1.165 46 A CA 2.087 54.266 52.037 0.237 0.000 0.645 46 A CB -1.322 18.183 19.000 0.841 0.000 0.807 46 A HN 0.817 nan 8.150 nan 0.000 0.453 47 G N -1.074 107.803 108.800 0.129 0.000 2.402 47 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 47 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 47 G C 1.579 176.471 174.900 -0.013 0.000 1.162 47 G CA 1.153 46.304 45.100 0.086 0.000 0.777 47 G HN 0.553 nan 8.290 nan 0.000 0.539 48 Q N 0.249 120.006 119.800 -0.072 0.000 2.124 48 Q HA 0.027 4.366 4.340 -0.000 0.000 0.202 48 Q C 2.454 178.341 176.000 -0.188 0.000 0.977 48 Q CA 1.154 56.887 55.803 -0.117 0.000 0.850 48 Q CB -0.403 28.256 28.738 -0.130 0.000 0.901 48 Q HN 0.523 nan 8.270 nan 0.000 0.429 49 L N -0.492 120.537 121.223 -0.323 0.000 2.027 49 L HA -0.076 4.264 4.340 -0.000 0.000 0.206 49 L C 2.377 179.025 176.870 -0.369 0.000 1.074 49 L CA 0.958 55.481 54.840 -0.529 0.000 0.745 49 L CB -0.861 40.492 42.059 -1.177 0.000 0.898 49 L HN 0.278 nan 8.230 nan 0.000 0.433 50 A N -0.000 122.715 122.820 -0.175 0.000 2.076 50 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 50 A C 2.241 179.828 177.584 0.004 0.000 1.160 50 A CA 1.432 53.498 52.037 0.048 0.000 0.653 50 A CB -0.581 18.519 19.000 0.167 0.000 0.801 50 A HN 0.385 nan 8.150 nan 0.000 0.455 51 L N -0.976 120.219 121.223 -0.048 0.000 2.084 51 L HA -0.083 4.257 4.340 -0.000 0.000 0.202 51 L C 2.150 178.989 176.870 -0.051 0.000 1.074 51 L CA 1.040 55.856 54.840 -0.039 0.000 0.757 51 L CB -0.650 41.379 42.059 -0.049 0.000 0.918 51 L HN 0.235 nan 8.230 nan 0.000 0.444 52 D N 0.734 121.080 120.400 -0.090 0.000 2.137 52 D HA -0.218 4.421 4.640 -0.000 0.000 0.193 52 D C 2.261 178.533 176.300 -0.047 0.000 0.993 52 D CA 1.366 55.315 54.000 -0.085 0.000 0.846 52 D CB -0.659 40.068 40.800 -0.123 0.000 0.990 52 D HN 0.131 nan 8.370 nan 0.000 0.448 53 L N 0.384 121.582 121.223 -0.042 0.000 2.283 53 L HA -0.261 4.078 4.340 -0.000 0.000 0.217 53 L C 2.281 179.172 176.870 0.035 0.000 1.104 53 L CA 1.228 56.080 54.840 0.021 0.000 0.772 53 L CB -0.277 41.830 42.059 0.080 0.000 0.899 53 L HN 0.041 nan 8.230 nan 0.000 0.439 54 A N -0.786 122.046 122.820 0.020 0.000 1.859 54 A HA -0.113 4.207 4.320 -0.000 0.000 0.212 54 A C 1.998 179.587 177.584 0.008 0.000 1.238 54 A CA 0.901 52.951 52.037 0.023 0.000 0.613 54 A CB -0.536 18.478 19.000 0.023 0.000 0.904 54 A HN 0.336 nan 8.150 nan 0.000 0.457 55 N N 1.110 119.807 118.700 -0.005 0.000 2.081 55 N HA -0.147 4.593 4.740 -0.000 0.000 0.193 55 N C 0.535 176.042 175.510 -0.005 0.000 1.015 55 N CA 1.731 54.775 53.050 -0.010 0.000 0.891 55 N CB -0.915 37.558 38.487 -0.023 0.000 1.076 55 N HN 0.355 nan 8.380 nan 0.000 0.607 56 S N 0.620 116.316 115.700 -0.007 0.000 2.887 56 S HA 0.108 4.578 4.470 -0.000 0.000 0.337 56 S C 0.789 175.394 174.600 0.008 0.000 1.209 56 S CA 0.083 58.283 58.200 -0.001 0.000 1.186 56 S CB -0.191 63.009 63.200 -0.001 0.000 0.925 56 S HN 0.471 nan 8.310 nan 0.000 0.522 57 G N 2.743 111.547 108.800 0.007 0.000 2.726 57 G HA2 0.109 4.069 3.960 -0.000 0.000 0.283 57 G HA3 0.109 4.069 3.960 -0.000 0.000 0.283 57 G C -0.199 174.710 174.900 0.014 0.000 0.689 57 G CA -0.268 44.838 45.100 0.010 0.000 2.087 57 G HN 0.713 nan 8.290 nan 0.000 0.546 58 D N 2.204 122.616 120.400 0.020 0.000 2.408 58 D HA 0.115 4.755 4.640 -0.000 0.000 0.261 58 D C 1.055 177.373 176.300 0.030 0.000 1.190 58 D CA -0.460 53.555 54.000 0.025 0.000 0.910 58 D CB 0.712 41.530 40.800 0.030 0.000 1.097 58 D HN 0.431 nan 8.370 nan 0.000 0.522 59 E N 0.497 120.712 120.200 0.025 0.000 2.476 59 E HA -0.181 4.169 4.350 -0.000 0.000 0.206 59 E C 1.413 178.032 176.600 0.032 0.000 1.079 59 E CA 0.826 57.241 56.400 0.026 0.000 0.891 59 E CB 0.147 29.859 29.700 0.019 0.000 0.821 59 E HN 0.371 nan 8.360 nan 0.000 0.572 60 S N -1.225 114.498 115.700 0.038 0.000 2.556 60 S HA 0.099 4.569 4.470 -0.000 0.000 0.216 60 S C 1.131 175.767 174.600 0.061 0.000 0.970 60 S CA -0.097 58.130 58.200 0.045 0.000 0.912 60 S CB 0.198 63.424 63.200 0.043 0.000 0.790 60 S HN 0.202 nan 8.310 nan 0.000 0.504 61 N N 0.884 119.622 118.700 0.063 0.000 2.454 61 N HA 0.158 4.898 4.740 -0.000 0.000 0.177 61 N C 1.307 176.868 175.510 0.084 0.000 1.049 61 N CA 0.560 53.661 53.050 0.084 0.000 0.887 61 N CB 0.085 38.616 38.487 0.073 0.000 1.095 61 N HN 0.109 nan 8.380 nan 0.000 0.446 62 V N 2.017 121.966 119.914 0.059 0.000 2.317 62 V HA -0.270 3.850 4.120 -0.000 0.000 0.251 62 V C 2.069 178.198 176.094 0.058 0.000 1.065 62 V CA 1.344 63.674 62.300 0.049 0.000 1.049 62 V CB -0.504 31.336 31.823 0.029 0.000 0.651 62 V HN 0.337 nan 8.190 nan 0.000 0.450 63 I N 1.285 121.890 120.570 0.060 0.000 2.133 63 I HA -0.163 4.007 4.170 -0.000 0.000 0.238 63 I C 2.713 178.878 176.117 0.081 0.000 1.074 63 I CA 2.217 63.553 61.300 0.060 0.000 1.342 63 I CB -1.586 36.447 38.000 0.055 0.000 1.053 63 I HN 0.562 nan 8.210 nan 0.000 0.404 64 S N -0.246 115.521 115.700 0.113 0.000 2.500 64 S HA -0.127 4.343 4.470 -0.000 0.000 0.239 64 S C 2.097 176.845 174.600 0.248 0.000 0.989 64 S CA 1.250 59.543 58.200 0.156 0.000 0.951 64 S CB -0.464 62.861 63.200 0.209 0.000 0.759 64 S HN 0.435 nan 8.310 nan 0.000 0.523 65 S N 2.384 118.208 115.700 0.207 0.000 2.336 65 S HA -0.051 4.419 4.470 -0.000 0.000 0.216 65 S C 1.829 176.540 174.600 0.186 0.000 1.032 65 S CA 1.062 59.403 58.200 0.235 0.000 0.973 65 S CB -0.417 62.862 63.200 0.131 0.000 0.888 65 S HN 0.641 nan 8.310 nan 0.000 0.455 66 K N 1.044 121.496 120.400 0.087 0.000 2.113 66 K HA -0.102 4.217 4.320 -0.000 0.000 0.208 66 K C 1.663 178.252 176.600 -0.018 0.000 1.047 66 K CA 1.630 57.935 56.287 0.030 0.000 0.928 66 K CB -0.300 32.198 32.500 -0.003 0.000 0.716 66 K HN 0.436 nan 8.250 nan 0.000 0.446 67 D N -0.565 119.800 120.400 -0.059 0.000 2.350 67 D HA -0.128 4.512 4.640 -0.000 0.000 0.216 67 D C 1.354 177.442 176.300 -0.353 0.000 0.968 67 D CA 0.906 54.749 54.000 -0.261 0.000 0.894 67 D CB 0.021 40.616 40.800 -0.342 0.000 0.909 67 D HN 0.373 nan 8.370 nan 0.000 0.520 68 W N 1.335 122.613 121.300 -0.036 0.000 2.574 68 W HA 0.038 4.698 4.660 -0.000 0.000 0.282 68 W C 2.438 178.978 176.519 0.036 0.000 1.197 68 W CA -0.035 57.322 57.345 0.019 0.000 1.376 68 W CB 0.175 29.661 29.460 0.044 0.000 1.091 68 W HN -0.095 nan 8.180 nan 0.000 0.569 69 E N 0.749 121.087 120.200 0.230 0.000 2.038 69 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 69 E C 2.064 178.727 176.600 0.105 0.000 1.000 69 E CA 1.554 58.045 56.400 0.152 0.000 0.803 69 E CB -0.808 28.942 29.700 0.085 0.000 0.750 69 E HN 0.239 nan 8.360 nan 0.000 0.448 70 L N 1.278 122.500 121.223 -0.002 0.000 2.051 70 L HA -0.265 4.075 4.340 -0.000 0.000 0.214 70 L C 2.662 179.523 176.870 -0.015 0.000 1.076 70 L CA 1.272 56.068 54.840 -0.073 0.000 0.758 70 L CB -0.304 41.584 42.059 -0.285 0.000 0.890 70 L HN 0.220 nan 8.230 nan 0.000 0.433 71 E N -0.365 119.812 120.200 -0.039 0.000 2.023 71 E HA -0.292 4.058 4.350 -0.000 0.000 0.196 71 E C 2.176 178.900 176.600 0.207 0.000 1.003 71 E CA 1.439 57.833 56.400 -0.010 0.000 0.809 71 E CB -0.135 29.618 29.700 0.089 0.000 0.755 71 E HN 0.532 nan 8.360 nan 0.000 0.449 72 A N 1.662 124.697 122.820 0.358 0.000 1.869 72 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 72 A C 2.140 179.959 177.584 0.390 0.000 1.203 72 A CA 2.193 54.490 52.037 0.433 0.000 0.638 72 A CB -0.763 18.426 19.000 0.315 0.000 0.831 72 A HN 0.201 nan 8.150 nan 0.000 0.450 73 R N -2.010 118.688 120.500 0.330 0.000 2.096 73 R HA -0.195 4.145 4.340 -0.000 0.000 0.240 73 R C 2.042 178.624 176.300 0.470 0.000 1.139 73 R CA 1.744 58.128 56.100 0.474 0.000 0.952 73 R CB -0.691 29.836 30.300 0.380 0.000 0.854 73 R HN 0.614 nan 8.270 nan 0.000 0.436 74 F N 0.260 120.277 119.950 0.111 0.000 2.091 74 F HA -0.264 4.263 4.527 -0.000 0.000 0.299 74 F C 1.661 177.354 175.800 -0.178 0.000 1.103 74 F CA 1.520 59.424 58.000 -0.160 0.000 1.228 74 F CB -0.393 38.340 39.000 -0.445 0.000 0.984 74 F HN 0.044 nan 8.300 nan 0.000 0.477 75 W N -0.957 120.325 121.300 -0.029 0.000 2.381 75 W HA -0.169 4.490 4.660 -0.000 0.000 0.301 75 W C 2.731 179.215 176.519 -0.059 0.000 1.205 75 W CA 1.184 58.477 57.345 -0.087 0.000 1.285 75 W CB -0.909 28.669 29.460 0.197 0.000 1.133 75 W HN 0.123 nan 8.180 nan 0.000 0.521 76 H N 0.712 119.888 119.070 0.176 0.000 2.265 76 H HA -0.236 4.320 4.556 -0.000 0.000 0.295 76 H C 2.158 177.410 175.328 -0.128 0.000 1.084 76 H CA 2.271 58.396 56.048 0.129 0.000 1.261 76 H CB -0.919 29.026 29.762 0.304 0.000 1.360 76 H HN 0.105 nan 8.280 nan 0.000 0.487 77 L N -0.268 120.648 121.223 -0.511 0.000 2.043 77 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 77 L C 2.393 178.856 176.870 -0.679 0.000 1.075 77 L CA 1.603 55.733 54.840 -1.183 0.000 0.752 77 L CB -0.349 40.596 42.059 -1.857 0.000 0.891 77 L HN 0.207 nan 8.230 nan 0.000 0.432 78 V N 0.096 119.666 119.914 -0.575 0.000 2.343 78 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 78 V C 2.465 178.464 176.094 -0.160 0.000 1.051 78 V CA 2.145 64.215 62.300 -0.383 0.000 1.036 78 V CB -0.693 30.906 31.823 -0.373 0.000 0.654 78 V HN 0.611 nan 8.190 nan 0.000 0.451 79 E N 0.466 120.625 120.200 -0.068 0.000 2.023 79 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 79 E C 2.282 178.772 176.600 -0.183 0.000 1.003 79 E CA 1.846 58.219 56.400 -0.045 0.000 0.809 79 E CB -0.271 29.471 29.700 0.071 0.000 0.755 79 E HN 0.543 nan 8.360 nan 0.000 0.449 80 L N 0.608 121.720 121.223 -0.187 0.000 1.991 80 L HA -0.282 4.058 4.340 -0.000 0.000 0.221 80 L C 2.871 179.651 176.870 -0.150 0.000 1.079 80 L CA 1.502 56.221 54.840 -0.201 0.000 0.778 80 L CB -0.568 41.304 42.059 -0.311 0.000 0.893 80 L HN 0.317 nan 8.230 nan 0.000 0.437 81 L N -0.928 120.191 121.223 -0.173 0.000 2.093 81 L HA -0.210 4.129 4.340 -0.000 0.000 0.208 81 L C 2.474 179.344 176.870 0.001 0.000 1.085 81 L CA 1.050 55.852 54.840 -0.063 0.000 0.755 81 L CB -0.233 41.752 42.059 -0.124 0.000 0.904 81 L HN 0.291 nan 8.230 nan 0.000 0.435 82 L N -1.457 119.729 121.223 -0.061 0.000 2.131 82 L HA -0.138 4.202 4.340 -0.000 0.000 0.206 82 L C 2.464 179.259 176.870 -0.124 0.000 1.087 82 L CA 0.408 55.248 54.840 0.001 0.000 0.767 82 L CB -0.327 41.820 42.059 0.148 0.000 0.917 82 L HN 0.027 nan 8.230 nan 0.000 0.441 83 V N -0.053 119.572 119.914 -0.482 0.000 2.255 83 V HA -0.351 3.769 4.120 -0.000 0.000 0.247 83 V C 2.259 178.264 176.094 -0.149 0.000 1.051 83 V CA 2.280 64.177 62.300 -0.672 0.000 1.018 83 V CB -0.618 30.865 31.823 -0.567 0.000 0.641 83 V HN 0.365 nan 8.190 nan 0.000 0.445 84 F N 1.225 121.088 119.950 -0.146 0.000 2.075 84 F HA -0.145 4.382 4.527 -0.000 0.000 0.297 84 F C 2.607 178.403 175.800 -0.007 0.000 1.113 84 F CA 1.798 59.775 58.000 -0.037 0.000 1.218 84 F CB -0.459 38.559 39.000 0.030 0.000 0.984 84 F HN -0.052 nan 8.300 nan 0.000 0.472 85 R N 0.078 120.479 120.500 -0.165 0.000 2.080 85 R HA -0.232 4.107 4.340 -0.000 0.000 0.236 85 R C 2.058 178.258 176.300 -0.168 0.000 1.137 85 R CA 1.785 57.748 56.100 -0.228 0.000 0.943 85 R CB -1.054 29.229 30.300 -0.028 0.000 0.846 85 R HN 0.438 nan 8.270 nan 0.000 0.431 86 N N 0.440 119.124 118.700 -0.026 0.000 2.571 86 N HA -0.009 4.731 4.740 -0.000 0.000 0.189 86 N C -0.561 174.970 175.510 0.035 0.000 1.154 86 N CA -0.326 52.758 53.050 0.057 0.000 0.907 86 N CB 0.246 38.874 38.487 0.235 0.000 0.977 86 N HN 0.157 nan 8.380 nan 0.000 0.449 87 A N 0.546 123.332 122.820 -0.058 0.000 2.354 87 A HA 0.196 4.516 4.320 -0.000 0.000 0.269 87 A C -0.538 176.992 177.584 -0.090 0.000 1.109 87 A CA -0.502 51.507 52.037 -0.046 0.000 0.800 87 A CB 0.453 19.409 19.000 -0.074 0.000 1.045 87 A HN 0.257 nan 8.150 nan 0.000 0.489 88 D N 1.313 121.685 120.400 -0.048 0.000 2.389 88 D HA 0.207 4.847 4.640 -0.000 0.000 0.247 88 D C 0.256 176.509 176.300 -0.078 0.000 1.128 88 D CA -0.051 53.916 54.000 -0.055 0.000 0.884 88 D CB 0.804 41.587 40.800 -0.028 0.000 1.194 88 D HN 0.401 nan 8.370 nan 0.000 0.441 89 L N 3.811 124.979 121.223 -0.091 0.000 2.737 89 L HA -0.078 4.262 4.340 -0.000 0.000 0.275 89 L C 0.118 176.950 176.870 -0.063 0.000 1.179 89 L CA 0.002 54.786 54.840 -0.093 0.000 0.970 89 L CB -0.252 41.762 42.059 -0.076 0.000 1.268 89 L HN 0.254 nan 8.230 nan 0.000 0.485 90 D N 6.045 126.408 120.400 -0.062 0.000 2.638 90 D HA 0.112 4.752 4.640 -0.000 0.000 0.245 90 D C 0.470 176.744 176.300 -0.043 0.000 1.176 90 D CA -0.396 53.578 54.000 -0.043 0.000 0.996 90 D CB 0.025 40.804 40.800 -0.036 0.000 1.012 90 D HN 0.479 nan 8.370 nan 0.000 0.515 91 L N 0.429 121.628 121.223 -0.040 0.000 2.503 91 L HA -0.013 4.327 4.340 -0.000 0.000 0.287 91 L C 0.830 177.677 176.870 -0.038 0.000 1.252 91 L CA 0.931 55.748 54.840 -0.039 0.000 0.835 91 L CB 0.357 42.397 42.059 -0.032 0.000 1.099 91 L HN 0.305 nan 8.230 nan 0.000 0.516 92 D N -0.047 120.327 120.400 -0.043 0.000 3.244 92 D HA 0.016 4.656 4.640 -0.000 0.000 0.292 92 D C -0.658 175.610 176.300 -0.052 0.000 1.652 92 D CA -0.180 53.793 54.000 -0.044 0.000 0.803 92 D CB 0.329 41.102 40.800 -0.046 0.000 1.390 92 D HN 0.569 nan 8.370 nan 0.000 0.528 93 E N 1.393 121.564 120.200 -0.050 0.000 3.580 93 E HA -0.174 4.175 4.350 -0.000 0.000 0.260 93 E C 0.337 176.894 176.600 -0.071 0.000 0.828 93 E CA 0.662 57.029 56.400 -0.055 0.000 0.984 93 E CB -0.045 29.630 29.700 -0.042 0.000 0.826 93 E HN 0.317 nan 8.360 nan 0.000 0.555 94 M N 3.327 122.871 119.600 -0.093 0.000 2.143 94 M HA 0.028 4.508 4.480 -0.000 0.000 0.348 94 M C -0.342 175.860 176.300 -0.163 0.000 1.375 94 M CA 0.201 55.427 55.300 -0.123 0.000 1.124 94 M CB 0.421 32.936 32.600 -0.141 0.000 1.669 94 M HN 0.320 nan 8.290 nan 0.000 0.469 95 E N 5.979 126.075 120.200 -0.172 0.000 2.052 95 E HA 0.308 4.658 4.350 -0.000 0.000 0.283 95 E C -0.942 175.406 176.600 -0.421 0.000 1.071 95 E CA -0.184 56.071 56.400 -0.241 0.000 0.851 95 E CB 0.781 30.371 29.700 -0.183 0.000 1.066 95 E HN 0.655 nan 8.360 nan 0.000 0.396 96 L N 2.940 123.877 121.223 -0.477 0.000 2.400 96 L HA 0.497 4.837 4.340 -0.000 0.000 0.264 96 L C 0.372 176.812 176.870 -0.716 0.000 1.061 96 L CA -0.955 53.521 54.840 -0.607 0.000 0.799 96 L CB 0.895 42.523 42.059 -0.717 0.000 1.240 96 L HN 0.522 nan 8.230 nan 0.000 0.461 97 H N -0.673 118.218 119.070 -0.298 0.000 2.894 97 H HA 0.244 4.800 4.556 -0.000 0.000 0.368 97 H C -2.018 173.221 175.328 -0.148 0.000 1.181 97 H CA -1.871 54.005 56.048 -0.287 0.000 1.146 97 H CB 1.770 31.133 29.762 -0.665 0.000 1.839 97 H HN 0.217 nan 8.280 nan 0.000 0.557 98 P HA -0.147 nan 4.420 nan 0.000 0.221 98 P C 1.041 178.429 177.300 0.147 0.000 1.145 98 P CA 1.266 64.440 63.100 0.123 0.000 0.795 98 P CB -0.116 31.645 31.700 0.103 0.000 0.775 99 Y N -1.926 118.485 120.300 0.186 0.000 2.546 99 Y HA 0.184 4.734 4.550 -0.000 0.000 0.287 99 Y C 0.359 176.366 175.900 0.178 0.000 1.158 99 Y CA -0.948 57.236 58.100 0.140 0.000 1.307 99 Y CB -1.918 36.599 38.460 0.095 0.000 1.036 99 Y HN -0.169 nan 8.280 nan 0.000 0.532 100 N N 0.825 119.553 118.700 0.047 0.000 2.444 100 N HA 0.133 4.873 4.740 -0.000 0.000 0.255 100 N C -0.346 175.344 175.510 0.300 0.000 1.255 100 N CA 0.045 53.181 53.050 0.144 0.000 0.933 100 N CB 0.515 38.984 38.487 -0.029 0.000 1.143 100 N HN 0.148 nan 8.380 nan 0.000 0.453 101 S N 0.762 116.611 115.700 0.247 0.000 2.603 101 S HA 0.128 4.598 4.470 -0.000 0.000 0.268 101 S C 1.394 176.182 174.600 0.313 0.000 1.317 101 S CA -0.651 57.708 58.200 0.265 0.000 1.012 101 S CB 1.102 64.430 63.200 0.213 0.000 0.926 101 S HN 0.479 nan 8.310 nan 0.000 0.539 102 R N 1.325 121.958 120.500 0.221 0.000 2.133 102 R HA -0.159 4.181 4.340 -0.000 0.000 0.247 102 R C 2.408 178.814 176.300 0.178 0.000 1.151 102 R CA 1.547 57.748 56.100 0.169 0.000 0.971 102 R CB -1.091 29.251 30.300 0.070 0.000 0.866 102 R HN 0.853 nan 8.270 nan 0.000 0.447 103 G N 0.938 109.794 108.800 0.093 0.000 2.440 103 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.218 103 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.218 103 G C 1.508 176.415 174.900 0.012 0.000 1.154 103 G CA 0.336 45.435 45.100 -0.000 0.000 0.767 103 G HN 0.195 nan 8.290 nan 0.000 0.552 104 L N -0.979 120.262 121.223 0.029 0.000 2.109 104 L HA 0.073 4.413 4.340 -0.000 0.000 0.207 104 L C 2.698 179.496 176.870 -0.120 0.000 1.086 104 L CA 0.636 55.433 54.840 -0.072 0.000 0.760 104 L CB -0.271 41.701 42.059 -0.144 0.000 0.910 104 L HN 0.172 nan 8.230 nan 0.000 0.437 105 F N 0.306 120.270 119.950 0.024 0.000 2.134 105 F HA -0.248 4.279 4.527 -0.000 0.000 0.299 105 F C 2.619 178.499 175.800 0.133 0.000 1.097 105 F CA 1.652 59.725 58.000 0.122 0.000 1.264 105 F CB -0.314 38.758 39.000 0.120 0.000 1.001 105 F HN 0.143 nan 8.300 nan 0.000 0.479 106 E N 0.511 120.832 120.200 0.201 0.000 2.051 106 E HA -0.212 4.137 4.350 -0.000 0.000 0.192 106 E C 2.199 178.766 176.600 -0.055 0.000 0.991 106 E CA 1.160 57.592 56.400 0.054 0.000 0.799 106 E CB 0.066 29.757 29.700 -0.015 0.000 0.748 106 E HN 0.229 nan 8.360 nan 0.000 0.449 107 K N 0.781 121.147 120.400 -0.058 0.000 2.009 107 K HA -0.230 4.089 4.320 -0.000 0.000 0.210 107 K C 2.254 178.786 176.600 -0.113 0.000 1.049 107 K CA 1.662 57.897 56.287 -0.087 0.000 0.929 107 K CB -0.383 32.075 32.500 -0.070 0.000 0.714 107 K HN 0.076 nan 8.250 nan 0.000 0.440 108 K N 1.428 121.753 120.400 -0.125 0.000 1.991 108 K HA -0.195 4.125 4.320 -0.000 0.000 0.212 108 K C 2.236 178.716 176.600 -0.199 0.000 1.049 108 K CA 1.350 57.549 56.287 -0.147 0.000 0.932 108 K CB -0.455 31.951 32.500 -0.156 0.000 0.717 108 K HN 0.011 nan 8.250 nan 0.000 0.441 109 L N 0.782 121.809 121.223 -0.326 0.000 2.021 109 L HA -0.228 4.112 4.340 -0.000 0.000 0.215 109 L C 2.112 178.806 176.870 -0.294 0.000 1.074 109 L CA 2.000 56.479 54.840 -0.601 0.000 0.760 109 L CB -0.499 41.080 42.059 -0.801 0.000 0.889 109 L HN 0.383 nan 8.230 nan 0.000 0.433 110 M N -1.157 118.331 119.600 -0.187 0.000 2.296 110 M HA -0.158 4.322 4.480 -0.000 0.000 0.265 110 M C 2.210 178.468 176.300 -0.069 0.000 1.064 110 M CA 1.426 56.685 55.300 -0.069 0.000 1.109 110 M CB -1.196 31.371 32.600 -0.055 0.000 1.396 110 M HN 0.485 nan 8.290 nan 0.000 0.430 111 Q N 0.026 119.752 119.800 -0.124 0.000 2.033 111 Q HA -0.136 4.204 4.340 -0.000 0.000 0.196 111 Q C 1.568 177.513 176.000 -0.091 0.000 0.970 111 Q CA 1.179 56.901 55.803 -0.135 0.000 0.828 111 Q CB -0.036 28.631 28.738 -0.118 0.000 0.895 111 Q HN 0.456 nan 8.270 nan 0.000 0.440 112 D N 0.816 121.160 120.400 -0.092 0.000 2.178 112 D HA -0.100 4.539 4.640 -0.000 0.000 0.202 112 D C 0.675 176.955 176.300 -0.033 0.000 0.974 112 D CA 0.860 54.822 54.000 -0.064 0.000 0.841 112 D CB -0.241 40.514 40.800 -0.076 0.000 0.953 112 D HN 0.047 nan 8.370 nan 0.000 0.478 113 N N 0.986 119.662 118.700 -0.040 0.000 2.801 113 N HA 0.039 4.779 4.740 -0.000 0.000 0.235 113 N C 0.526 176.094 175.510 0.097 0.000 1.069 113 N CA -0.086 52.967 53.050 0.006 0.000 0.946 113 N CB 0.377 38.837 38.487 -0.046 0.000 1.212 113 N HN -0.069 nan 8.380 nan 0.000 0.509 114 K N 0.995 121.483 120.400 0.146 0.000 2.103 114 K HA -0.159 4.160 4.320 -0.000 0.000 0.207 114 K C 1.436 178.198 176.600 0.270 0.000 1.048 114 K CA 0.976 57.445 56.287 0.304 0.000 0.930 114 K CB 0.193 32.861 32.500 0.280 0.000 0.716 114 K HN 0.494 nan 8.250 nan 0.000 0.444 115 Q N 0.994 120.888 119.800 0.157 0.000 2.029 115 Q HA -0.203 4.137 4.340 -0.000 0.000 0.209 115 Q C 2.244 178.301 176.000 0.096 0.000 0.999 115 Q CA 1.570 57.442 55.803 0.114 0.000 0.857 115 Q CB -0.423 28.356 28.738 0.069 0.000 0.926 115 Q HN 0.399 nan 8.270 nan 0.000 0.415 116 L N -0.565 120.703 121.223 0.075 0.000 2.027 116 L HA -0.214 4.126 4.340 -0.000 0.000 0.206 116 L C 2.451 179.349 176.870 0.047 0.000 1.074 116 L CA 1.343 56.209 54.840 0.044 0.000 0.745 116 L CB -0.455 41.610 42.059 0.009 0.000 0.898 116 L HN 0.215 nan 8.230 nan 0.000 0.433 117 Y N 0.808 121.091 120.300 -0.028 0.000 2.193 117 Y HA -0.395 4.155 4.550 -0.000 0.000 0.285 117 Y C 2.688 178.526 175.900 -0.103 0.000 1.166 117 Y CA 2.252 60.304 58.100 -0.079 0.000 1.181 117 Y CB -0.282 38.071 38.460 -0.178 0.000 0.976 117 Y HN 0.333 nan 8.280 nan 0.000 0.520 118 Q N -0.147 119.619 119.800 -0.056 0.000 2.135 118 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 118 Q C 2.256 178.187 176.000 -0.115 0.000 0.981 118 Q CA 2.197 57.944 55.803 -0.093 0.000 0.856 118 Q CB -0.263 28.523 28.738 0.079 0.000 0.902 118 Q HN 0.597 nan 8.270 nan 0.000 0.425 119 I N -0.448 120.095 120.570 -0.046 0.000 2.208 119 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 119 I C 2.134 178.242 176.117 -0.016 0.000 1.097 119 I CA 1.150 62.442 61.300 -0.014 0.000 1.363 119 I CB -0.569 37.448 38.000 0.029 0.000 1.051 119 I HN 0.553 nan 8.210 nan 0.000 0.413 120 W N 2.029 123.141 121.300 -0.313 0.000 2.332 120 W HA -0.259 4.401 4.660 -0.000 0.000 0.321 120 W C 2.459 178.754 176.519 -0.373 0.000 1.219 120 W CA 1.172 58.290 57.345 -0.378 0.000 1.277 120 W CB -0.054 29.027 29.460 -0.632 0.000 1.161 120 W HN 0.006 nan 8.180 nan 0.000 0.476 121 I N 1.160 121.431 120.570 -0.499 0.000 2.185 121 I HA -0.317 3.853 4.170 -0.000 0.000 0.246 121 I C 2.298 178.215 176.117 -0.333 0.000 1.088 121 I CA 1.433 62.448 61.300 -0.475 0.000 1.347 121 I CB -1.680 36.099 38.000 -0.368 0.000 1.041 121 I HN -0.077 nan 8.210 nan 0.000 0.415 122 V N 0.177 119.958 119.914 -0.223 0.000 2.427 122 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 122 V C 2.535 178.592 176.094 -0.063 0.000 1.051 122 V CA 1.446 63.699 62.300 -0.078 0.000 1.048 122 V CB -0.437 31.363 31.823 -0.038 0.000 0.666 122 V HN 0.346 nan 8.190 nan 0.000 0.456 123 M N -0.803 118.658 119.600 -0.232 0.000 2.175 123 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 123 M C 2.216 178.202 176.300 -0.523 0.000 1.063 123 M CA 1.374 56.460 55.300 -0.355 0.000 1.119 123 M CB -0.414 32.035 32.600 -0.251 0.000 1.377 123 M HN 0.220 nan 8.290 nan 0.000 0.415 124 V N -0.627 118.897 119.914 -0.651 0.000 2.332 124 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 124 V C 1.932 177.831 176.094 -0.324 0.000 1.055 124 V CA 2.009 63.947 62.300 -0.602 0.000 1.038 124 V CB -0.725 30.701 31.823 -0.662 0.000 0.651 124 V HN 0.690 nan 8.190 nan 0.000 0.450 125 W N 0.481 121.528 121.300 -0.422 0.000 2.354 125 W HA -0.152 4.508 4.660 -0.000 0.000 0.315 125 W C 2.164 178.532 176.519 -0.253 0.000 1.206 125 W CA 1.591 58.734 57.345 -0.337 0.000 1.290 125 W CB -0.511 28.734 29.460 -0.357 0.000 1.152 125 W HN 0.134 nan 8.180 nan 0.000 0.489 126 L N 0.861 121.808 121.223 -0.459 0.000 2.043 126 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 126 L C 2.563 179.085 176.870 -0.580 0.000 1.075 126 L CA 2.045 56.478 54.840 -0.679 0.000 0.752 126 L CB -0.779 40.965 42.059 -0.525 0.000 0.891 126 L HN 0.018 nan 8.230 nan 0.000 0.432 127 K N -0.258 119.827 120.400 -0.526 0.000 2.001 127 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 127 K C 1.943 178.384 176.600 -0.264 0.000 1.048 127 K CA 1.468 57.543 56.287 -0.353 0.000 0.932 127 K CB -0.205 32.123 32.500 -0.288 0.000 0.715 127 K HN 0.121 nan 8.250 nan 0.000 0.437 128 E N 1.393 121.442 120.200 -0.251 0.000 2.197 128 E HA -0.223 4.127 4.350 -0.000 0.000 0.205 128 E C 0.527 177.032 176.600 -0.159 0.000 1.029 128 E CA 1.579 57.889 56.400 -0.150 0.000 0.828 128 E CB 0.029 29.699 29.700 -0.051 0.000 0.737 128 E HN 0.250 nan 8.360 nan 0.000 0.464 129 N N -0.015 118.520 118.700 -0.275 0.000 2.321 129 N HA 0.056 4.796 4.740 -0.000 0.000 0.242 129 N C -0.902 174.506 175.510 -0.171 0.000 1.141 129 N CA 0.122 53.036 53.050 -0.226 0.000 0.864 129 N CB 1.121 39.402 38.487 -0.345 0.000 1.100 129 N HN -0.044 nan 8.380 nan 0.000 0.510 130 T N 0.781 115.249 114.554 -0.143 0.000 2.882 130 T HA 0.148 4.497 4.350 -0.000 0.000 0.287 130 T C -0.497 174.198 174.700 -0.008 0.000 0.992 130 T CA -0.263 61.791 62.100 -0.077 0.000 1.076 130 T CB 1.137 69.946 68.868 -0.100 0.000 0.961 130 T HN 0.127 nan 8.240 nan 0.000 0.490 131 Y N 3.396 123.650 120.300 -0.076 0.000 2.335 131 Y HA 0.507 5.057 4.550 -0.000 0.000 0.331 131 Y C -0.770 175.103 175.900 -0.046 0.000 1.094 131 Y CA -0.554 57.515 58.100 -0.052 0.000 1.253 131 Y CB 0.551 38.989 38.460 -0.036 0.000 1.203 131 Y HN 0.319 nan 8.280 nan 0.000 0.508 132 V N 8.386 127.852 119.914 -0.746 0.000 2.588 132 V HA 0.253 4.373 4.120 -0.000 0.000 0.304 132 V C 0.312 175.933 176.094 -0.789 0.000 1.042 132 V CA -1.128 60.835 62.300 -0.563 0.000 0.877 132 V CB 1.420 33.095 31.823 -0.246 0.000 0.996 132 V HN 0.994 nan 8.190 nan 0.000 0.425 133 M N 2.865 122.171 119.600 -0.490 0.000 2.081 133 M HA 0.346 4.826 4.480 -0.000 0.000 0.259 133 M C 0.236 176.360 176.300 -0.294 0.000 1.274 133 M CA 0.178 55.275 55.300 -0.338 0.000 1.103 133 M CB 0.074 32.577 32.600 -0.162 0.000 1.349 133 M HN 0.798 nan 8.290 nan 0.000 0.435 134 E N 0.442 120.494 120.200 -0.246 0.000 2.266 134 E HA 0.338 4.688 4.350 -0.000 0.000 0.277 134 E C -0.868 175.469 176.600 -0.438 0.000 1.018 134 E CA -0.910 55.342 56.400 -0.247 0.000 0.840 134 E CB 1.113 30.727 29.700 -0.143 0.000 1.082 134 E HN 0.624 nan 8.360 nan 0.000 0.395 135 R N 2.674 122.903 120.500 -0.452 0.000 2.494 135 R HA 0.016 4.356 4.340 -0.000 0.000 0.291 135 R C -1.973 174.078 176.300 -0.416 0.000 0.953 135 R CA -0.925 54.804 56.100 -0.617 0.000 1.098 135 R CB -0.076 30.095 30.300 -0.216 0.000 0.911 135 R HN 0.432 nan 8.270 nan 0.000 0.407 136 P HA -0.052 nan 4.420 nan 0.000 0.262 136 P C -0.789 176.443 177.300 -0.114 0.000 1.182 136 P CA 0.522 63.494 63.100 -0.213 0.000 0.761 136 P CB 0.552 32.169 31.700 -0.138 0.000 0.795 137 K N 2.195 122.548 120.400 -0.079 0.000 2.109 137 K HA 0.242 4.562 4.320 -0.000 0.000 0.243 137 K C 0.580 177.165 176.600 -0.024 0.000 1.006 137 K CA -0.705 55.554 56.287 -0.047 0.000 0.917 137 K CB 0.320 32.796 32.500 -0.040 0.000 1.081 137 K HN 0.351 nan 8.250 nan 0.000 0.468 138 N N 0.018 118.709 118.700 -0.015 0.000 2.727 138 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 138 N C -0.970 174.541 175.510 0.001 0.000 1.048 138 N CA 0.339 53.386 53.050 -0.005 0.000 0.714 138 N CB -0.968 37.518 38.487 -0.002 0.000 0.959 138 N HN 0.209 nan 8.380 nan 0.000 0.544 139 V N 1.993 121.907 119.914 0.001 0.000 2.614 139 V HA 0.174 4.294 4.120 -0.000 0.000 0.291 139 V C -1.047 175.047 176.094 0.000 0.000 1.049 139 V CA -0.949 61.354 62.300 0.006 0.000 1.038 139 V CB 0.934 32.764 31.823 0.012 0.000 0.980 139 V HN 0.183 nan 8.190 nan 0.000 0.481 140 P HA 0.042 nan 4.420 nan 0.000 0.264 140 P C 1.089 178.380 177.300 -0.015 0.000 1.193 140 P CA 0.102 63.202 63.100 -0.001 0.000 0.763 140 P CB 0.615 32.321 31.700 0.011 0.000 0.810 141 T N 0.336 114.884 114.554 -0.010 0.000 2.718 141 T HA -0.176 4.173 4.350 -0.000 0.000 0.266 141 T C 0.977 175.660 174.700 -0.028 0.000 1.033 141 T CA 1.508 63.599 62.100 -0.015 0.000 1.151 141 T CB -0.765 68.098 68.868 -0.008 0.000 0.853 141 T HN 0.733 nan 8.240 nan 0.000 0.466 142 S N -0.860 114.823 115.700 -0.028 0.000 2.625 142 S HA 0.614 5.084 4.470 -0.000 0.000 0.271 142 S C -1.005 173.566 174.600 -0.050 0.000 1.161 142 S CA -1.425 56.747 58.200 -0.047 0.000 0.820 142 S CB 2.420 65.601 63.200 -0.032 0.000 1.137 142 S HN 0.443 nan 8.310 nan 0.000 0.470 143 K N 0.149 120.488 120.400 -0.102 0.000 2.295 143 K HA 0.233 4.552 4.320 -0.000 0.000 0.270 143 K C -0.572 176.059 176.600 0.051 0.000 1.011 143 K CA 0.019 56.223 56.287 -0.138 0.000 0.953 143 K CB -0.010 32.273 32.500 -0.362 0.000 0.956 143 K HN 0.642 nan 8.250 nan 0.000 0.477 144 W N 3.365 124.649 121.300 -0.026 0.000 6.914 144 W HA -0.230 4.430 4.660 -0.000 0.000 0.401 144 W C 0.525 177.040 176.519 -0.006 0.000 1.503 144 W CA 0.163 57.508 57.345 -0.000 0.000 1.126 144 W CB -2.145 27.324 29.460 0.014 0.000 2.668 144 W HN 0.617 nan 8.180 nan 0.000 1.631 145 L N 1.307 122.642 121.223 0.185 0.000 2.012 145 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 145 L C 2.207 179.125 176.870 0.081 0.000 1.073 145 L CA 2.373 57.275 54.840 0.103 0.000 0.748 145 L CB -0.803 41.294 42.059 0.063 0.000 0.891 145 L HN 0.083 nan 8.230 nan 0.000 0.431 146 N N -0.914 117.831 118.700 0.075 0.000 2.069 146 N HA -0.175 4.564 4.740 -0.000 0.000 0.191 146 N C 1.789 177.314 175.510 0.026 0.000 1.031 146 N CA 1.751 54.826 53.050 0.042 0.000 0.852 146 N CB -0.375 38.133 38.487 0.035 0.000 1.018 146 N HN 0.346 nan 8.380 nan 0.000 0.423 147 S N 1.444 117.156 115.700 0.021 0.000 2.356 147 S HA -0.005 4.465 4.470 -0.000 0.000 0.223 147 S C 2.097 176.702 174.600 0.010 0.000 1.032 147 S CA 0.550 58.740 58.200 -0.016 0.000 1.005 147 S CB -0.098 63.047 63.200 -0.091 0.000 0.867 147 S HN 0.220 nan 8.310 nan 0.000 0.449 148 I N 1.918 122.517 120.570 0.049 0.000 2.163 148 I HA -0.152 4.017 4.170 -0.000 0.000 0.243 148 I C 2.377 178.504 176.117 0.018 0.000 1.085 148 I CA 1.503 62.825 61.300 0.036 0.000 1.347 148 I CB -1.937 36.097 38.000 0.058 0.000 1.044 148 I HN 0.285 nan 8.210 nan 0.000 0.408 149 T N 0.517 115.085 114.554 0.023 0.000 2.867 149 T HA -0.076 4.273 4.350 -0.000 0.000 0.268 149 T C 1.902 176.607 174.700 0.008 0.000 1.057 149 T CA 1.293 63.402 62.100 0.015 0.000 1.136 149 T CB -0.077 68.802 68.868 0.018 0.000 0.874 149 T HN 0.246 nan 8.240 nan 0.000 0.466 150 S N 0.193 115.896 115.700 0.006 0.000 2.603 150 S HA 0.357 4.827 4.470 -0.000 0.000 0.220 150 S C 1.082 175.682 174.600 -0.000 0.000 0.967 150 S CA 0.207 58.408 58.200 0.001 0.000 0.920 150 S CB -0.323 62.876 63.200 -0.002 0.000 0.773 150 S HN 0.807 nan 8.310 nan 0.000 0.529 151 G N 0.337 109.136 108.800 -0.002 0.000 3.129 151 G HA2 0.083 4.043 3.960 -0.000 0.000 0.304 151 G HA3 0.083 4.043 3.960 -0.000 0.000 0.304 151 G C 0.460 175.357 174.900 -0.006 0.000 0.679 151 G CA -0.047 45.050 45.100 -0.006 0.000 0.812 151 G HN 0.794 nan 8.290 nan 0.000 0.409 152 G N 0.937 109.728 108.800 -0.015 0.000 4.258 152 G HA2 0.188 4.147 3.960 -0.000 0.000 0.208 152 G HA3 0.188 4.147 3.960 -0.000 0.000 0.208 152 G C 0.406 175.294 174.900 -0.020 0.000 0.777 152 G CA -0.062 45.040 45.100 0.004 0.000 0.836 152 G HN 1.059 nan 8.290 nan 0.000 0.499 153 L N 2.749 123.908 121.223 -0.105 0.000 2.385 153 L HA 0.286 4.626 4.340 -0.000 0.000 0.285 153 L C 1.516 178.143 176.870 -0.405 0.000 1.125 153 L CA -0.514 54.134 54.840 -0.321 0.000 0.890 153 L CB 0.968 42.917 42.059 -0.182 0.000 1.251 153 L HN 0.030 nan 8.230 nan 0.000 0.445 154 K N 0.770 120.837 120.400 -0.555 0.000 2.283 154 K HA -0.018 4.302 4.320 -0.000 0.000 0.202 154 K C 0.729 177.111 176.600 -0.364 0.000 1.048 154 K CA 0.490 56.596 56.287 -0.302 0.000 0.948 154 K CB 0.263 32.734 32.500 -0.048 0.000 0.742 154 K HN 0.456 nan 8.250 nan 0.000 0.458 155 S N -1.159 114.103 115.700 -0.731 0.000 2.541 155 S HA 0.211 4.681 4.470 -0.000 0.000 0.271 155 S C -0.213 174.200 174.600 -0.310 0.000 1.133 155 S CA -0.933 57.046 58.200 -0.368 0.000 0.876 155 S CB 1.381 64.505 63.200 -0.126 0.000 1.105 155 S HN 0.230 nan 8.310 nan 0.000 0.470 156 C N 2.942 122.206 119.300 -0.061 0.000 2.688 156 C HA 0.302 4.762 4.460 -0.000 0.000 0.297 156 C C 0.584 175.630 174.990 0.094 0.000 1.308 156 C CA -0.782 58.279 59.018 0.072 0.000 1.726 156 C CB -1.950 25.803 27.740 0.022 0.000 1.982 156 C HN 0.817 nan 8.230 nan 0.000 0.604 157 D N 0.664 121.149 120.400 0.142 0.000 2.283 157 D HA 0.113 4.753 4.640 -0.000 0.000 0.248 157 D C 1.044 177.488 176.300 0.238 0.000 1.072 157 D CA -0.441 53.632 54.000 0.121 0.000 0.929 157 D CB 1.110 41.983 40.800 0.121 0.000 1.182 157 D HN 0.171 nan 8.370 nan 0.000 0.433 158 L N 0.448 121.737 121.223 0.110 0.000 2.129 158 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 158 L C 1.348 178.429 176.870 0.351 0.000 1.087 158 L CA 1.352 56.326 54.840 0.222 0.000 0.757 158 L CB -0.415 41.722 42.059 0.130 0.000 0.896 158 L HN 0.431 nan 8.230 nan 0.000 0.434 159 D N -0.841 119.708 120.400 0.249 0.000 2.363 159 D HA -0.098 4.542 4.640 -0.000 0.000 0.226 159 D C 1.649 178.077 176.300 0.213 0.000 1.020 159 D CA 0.363 54.477 54.000 0.190 0.000 0.892 159 D CB 0.064 40.936 40.800 0.119 0.000 0.900 159 D HN 0.198 nan 8.370 nan 0.000 0.531 160 F N 1.928 121.992 119.950 0.190 0.000 2.084 160 F HA -0.034 4.492 4.527 -0.000 0.000 0.296 160 F C -0.997 174.848 175.800 0.075 0.000 1.111 160 F CA 0.665 58.746 58.000 0.136 0.000 1.224 160 F CB -1.016 38.093 39.000 0.180 0.000 0.991 160 F HN -0.048 nan 8.300 nan 0.000 0.471 161 P HA -0.053 nan 4.420 nan 0.000 0.237 161 P C 1.624 178.844 177.300 -0.133 0.000 1.178 161 P CA 1.112 64.108 63.100 -0.173 0.000 0.766 161 P CB -0.050 31.602 31.700 -0.080 0.000 0.876 162 L N -1.151 120.035 121.223 -0.062 0.000 2.102 162 L HA 0.009 4.349 4.340 -0.000 0.000 0.202 162 L C 2.559 179.368 176.870 -0.103 0.000 1.076 162 L CA 1.031 55.842 54.840 -0.049 0.000 0.761 162 L CB -0.569 41.492 42.059 0.005 0.000 0.921 162 L HN -0.148 nan 8.230 nan 0.000 0.444 163 R N 0.543 120.963 120.500 -0.133 0.000 2.170 163 R HA -0.136 4.204 4.340 -0.000 0.000 0.242 163 R C -0.092 176.089 176.300 -0.198 0.000 1.145 163 R CA 1.117 57.128 56.100 -0.150 0.000 0.984 163 R CB 0.158 30.373 30.300 -0.143 0.000 0.869 163 R HN 0.533 nan 8.270 nan 0.000 0.455 164 E N -0.299 119.728 120.200 -0.288 0.000 2.381 164 E HA 0.060 4.410 4.350 -0.000 0.000 0.286 164 E C -1.461 175.002 176.600 -0.228 0.000 0.960 164 E CA -0.995 55.262 56.400 -0.240 0.000 0.793 164 E CB 0.515 30.053 29.700 -0.269 0.000 1.225 164 E HN 0.207 nan 8.360 nan 0.000 0.420 165 N N 1.017 119.631 118.700 -0.143 0.000 1.403 165 N HA -0.252 4.487 4.740 -0.000 0.000 0.406 165 N C 0.082 175.520 175.510 -0.121 0.000 1.163 165 N CA 1.341 54.325 53.050 -0.110 0.000 0.746 165 N CB -0.158 38.280 38.487 -0.081 0.000 0.945 165 N HN 0.592 nan 8.380 nan 0.000 0.558 166 T N 0.788 115.286 114.554 -0.093 0.000 3.098 166 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 166 T C 1.302 175.953 174.700 -0.081 0.000 1.145 166 T CA 1.022 63.069 62.100 -0.088 0.000 1.092 166 T CB -0.536 68.295 68.868 -0.062 0.000 0.908 166 T HN 0.718 nan 8.240 nan 0.000 0.526 167 N N 1.172 119.832 118.700 -0.067 0.000 2.334 167 N HA -0.114 4.625 4.740 -0.000 0.000 0.187 167 N C 1.511 176.991 175.510 -0.050 0.000 1.016 167 N CA 0.655 53.674 53.050 -0.051 0.000 0.879 167 N CB -0.428 38.035 38.487 -0.040 0.000 0.965 167 N HN 0.210 nan 8.380 nan 0.000 0.438 168 V N 0.539 120.421 119.914 -0.054 0.000 2.287 168 V HA -0.180 3.940 4.120 -0.000 0.000 0.248 168 V C 1.274 177.319 176.094 -0.082 0.000 1.053 168 V CA 1.071 63.361 62.300 -0.017 0.000 1.027 168 V CB -0.443 31.414 31.823 0.056 0.000 0.646 168 V HN 0.287 nan 8.190 nan 0.000 0.447 169 L N 1.665 122.785 121.223 -0.171 0.000 2.367 169 L HA 0.171 4.510 4.340 -0.000 0.000 0.275 169 L C 0.438 177.214 176.870 -0.157 0.000 1.129 169 L CA -0.131 54.546 54.840 -0.273 0.000 0.839 169 L CB 0.386 42.191 42.059 -0.422 0.000 1.133 169 L HN 0.335 nan 8.230 nan 0.000 0.453 170 D N 2.524 122.843 120.400 -0.135 0.000 2.472 170 D HA -0.032 4.608 4.640 -0.000 0.000 0.237 170 D C 1.101 177.373 176.300 -0.047 0.000 1.141 170 D CA -0.191 53.770 54.000 -0.065 0.000 0.875 170 D CB 1.698 42.475 40.800 -0.039 0.000 1.192 170 D HN 0.246 nan 8.370 nan 0.000 0.450 171 V N 5.360 125.261 119.914 -0.023 0.000 2.252 171 V HA -0.296 3.824 4.120 -0.000 0.000 0.249 171 V C 2.525 178.630 176.094 0.018 0.000 1.056 171 V CA 1.959 64.256 62.300 -0.004 0.000 1.022 171 V CB -0.524 31.298 31.823 -0.001 0.000 0.641 171 V HN 0.660 nan 8.190 nan 0.000 0.445 172 K N -0.334 120.079 120.400 0.021 0.000 2.127 172 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 172 K C 1.903 178.543 176.600 0.067 0.000 1.047 172 K CA 1.845 58.157 56.287 0.041 0.000 0.927 172 K CB -0.397 32.124 32.500 0.035 0.000 0.716 172 K HN 0.533 nan 8.250 nan 0.000 0.450 173 D N 0.844 121.278 120.400 0.057 0.000 2.077 173 D HA -0.117 4.523 4.640 -0.000 0.000 0.196 173 D C 1.784 178.177 176.300 0.154 0.000 0.986 173 D CA 1.194 55.258 54.000 0.108 0.000 0.829 173 D CB -0.059 40.752 40.800 0.019 0.000 0.983 173 D HN 0.164 nan 8.370 nan 0.000 0.453 174 K N 0.795 121.252 120.400 0.095 0.000 2.113 174 K HA -0.181 4.138 4.320 -0.000 0.000 0.208 174 K C 2.036 178.756 176.600 0.201 0.000 1.047 174 K CA 1.077 57.454 56.287 0.151 0.000 0.928 174 K CB -0.099 32.447 32.500 0.076 0.000 0.716 174 K HN 0.310 nan 8.250 nan 0.000 0.446 175 E N 0.707 120.995 120.200 0.146 0.000 2.110 175 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 175 E C 1.904 178.634 176.600 0.217 0.000 0.988 175 E CA 1.209 57.703 56.400 0.155 0.000 0.804 175 E CB 0.003 29.761 29.700 0.096 0.000 0.745 175 E HN 0.397 nan 8.360 nan 0.000 0.458 176 E N 0.557 120.873 120.200 0.193 0.000 2.112 176 E HA -0.129 4.220 4.350 -0.000 0.000 0.190 176 E C 1.552 178.285 176.600 0.221 0.000 0.979 176 E CA 0.731 57.239 56.400 0.180 0.000 0.814 176 E CB 0.121 29.900 29.700 0.130 0.000 0.762 176 E HN 0.131 nan 8.360 nan 0.000 0.460 177 D N -0.307 120.270 120.400 0.295 0.000 2.178 177 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 177 D C 1.656 178.245 176.300 0.481 0.000 0.980 177 D CA 1.043 55.261 54.000 0.364 0.000 0.842 177 D CB -0.152 41.011 40.800 0.605 0.000 0.948 177 D HN 0.205 nan 8.370 nan 0.000 0.472 178 H N 0.417 119.699 119.070 0.353 0.000 2.293 178 H HA -0.093 4.463 4.556 -0.000 0.000 0.300 178 H C 1.877 177.341 175.328 0.226 0.000 1.082 178 H CA 1.389 57.630 56.048 0.323 0.000 1.308 178 H CB -0.170 29.731 29.762 0.231 0.000 1.375 178 H HN -0.020 nan 8.280 nan 0.000 0.495 179 I N 0.136 120.790 120.570 0.139 0.000 2.151 179 I HA -0.260 3.910 4.170 -0.000 0.000 0.243 179 I C 2.388 178.523 176.117 0.031 0.000 1.080 179 I CA 1.261 62.580 61.300 0.033 0.000 1.339 179 I CB -1.703 36.350 38.000 0.087 0.000 1.039 179 I HN 0.280 nan 8.210 nan 0.000 0.409 180 F N 1.864 121.771 119.950 -0.072 0.000 2.026 180 F HA -0.245 4.282 4.527 -0.000 0.000 0.296 180 F C 2.549 178.256 175.800 -0.154 0.000 1.133 180 F CA 1.544 59.458 58.000 -0.143 0.000 1.188 180 F CB -0.967 37.828 39.000 -0.342 0.000 0.968 180 F HN -0.089 nan 8.300 nan 0.000 0.476 181 F N 0.769 120.670 119.950 -0.081 0.000 2.120 181 F HA -0.257 4.270 4.527 -0.000 0.000 0.300 181 F C 2.616 178.251 175.800 -0.276 0.000 1.095 181 F CA 1.869 59.738 58.000 -0.218 0.000 1.249 181 F CB -0.628 38.396 39.000 0.041 0.000 0.995 181 F HN 0.002 nan 8.300 nan 0.000 0.480 182 K N -0.440 119.819 120.400 -0.235 0.000 2.026 182 K HA -0.267 4.053 4.320 -0.000 0.000 0.208 182 K C 2.198 178.638 176.600 -0.267 0.000 1.048 182 K CA 1.523 57.428 56.287 -0.637 0.000 0.929 182 K CB -0.554 31.359 32.500 -0.979 0.000 0.713 182 K HN 0.240 nan 8.250 nan 0.000 0.439 183 Y N 1.587 121.687 120.300 -0.335 0.000 2.145 183 Y HA -0.197 4.353 4.550 -0.000 0.000 0.286 183 Y C 1.813 177.549 175.900 -0.273 0.000 1.145 183 Y CA 1.141 59.078 58.100 -0.273 0.000 1.148 183 Y CB -0.275 38.047 38.460 -0.229 0.000 0.981 183 Y HN 0.044 nan 8.280 nan 0.000 0.507 184 I N -0.415 119.824 120.570 -0.551 0.000 2.208 184 I HA -0.327 3.842 4.170 -0.000 0.000 0.245 184 I C 2.310 178.254 176.117 -0.288 0.000 1.097 184 I CA 1.592 62.548 61.300 -0.574 0.000 1.363 184 I CB -1.619 35.989 38.000 -0.652 0.000 1.051 184 I HN 0.305 nan 8.210 nan 0.000 0.413 185 Y N 2.396 122.533 120.300 -0.272 0.000 2.114 185 Y HA -0.234 4.316 4.550 -0.000 0.000 0.284 185 Y C 2.550 178.339 175.900 -0.184 0.000 1.143 185 Y CA 1.816 59.818 58.100 -0.163 0.000 1.135 185 Y CB -0.330 38.118 38.460 -0.021 0.000 0.980 185 Y HN 0.257 nan 8.280 nan 0.000 0.499 186 E N 0.079 120.152 120.200 -0.211 0.000 2.160 186 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 186 E C 2.287 178.699 176.600 -0.314 0.000 0.991 186 E CA 1.417 57.651 56.400 -0.276 0.000 0.810 186 E CB -0.378 29.250 29.700 -0.119 0.000 0.742 186 E HN 0.513 nan 8.360 nan 0.000 0.466 187 L N 0.690 121.715 121.223 -0.330 0.000 2.093 187 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 187 L C 2.457 179.166 176.870 -0.268 0.000 1.085 187 L CA 0.898 55.546 54.840 -0.319 0.000 0.755 187 L CB -0.254 41.539 42.059 -0.443 0.000 0.904 187 L HN 0.159 nan 8.230 nan 0.000 0.435 188 I N -0.592 119.798 120.570 -0.300 0.000 2.353 188 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 188 I C 2.349 178.230 176.117 -0.393 0.000 1.119 188 I CA 1.034 62.176 61.300 -0.264 0.000 1.417 188 I CB -0.142 37.724 38.000 -0.222 0.000 1.078 188 I HN 0.239 nan 8.210 nan 0.000 0.421 189 L N 0.671 121.556 121.223 -0.565 0.000 2.201 189 L HA -0.136 4.203 4.340 -0.000 0.000 0.212 189 L C 2.584 179.341 176.870 -0.188 0.000 1.105 189 L CA 1.026 55.545 54.840 -0.535 0.000 0.775 189 L CB -0.443 41.247 42.059 -0.615 0.000 0.913 189 L HN 0.238 nan 8.230 nan 0.000 0.440 190 A N -0.981 121.717 122.820 -0.202 0.000 2.178 190 A HA 0.268 4.588 4.320 -0.000 0.000 0.211 190 A C 1.763 179.279 177.584 -0.113 0.000 1.157 190 A CA 0.839 52.789 52.037 -0.144 0.000 0.780 190 A CB -0.148 18.761 19.000 -0.153 0.000 0.828 190 A HN 0.501 nan 8.150 nan 0.000 0.476 191 G N -1.924 106.823 108.800 -0.088 0.000 2.176 191 G HA2 0.023 3.983 3.960 -0.000 0.000 0.232 191 G HA3 0.023 3.983 3.960 -0.000 0.000 0.232 191 G C 0.632 175.512 174.900 -0.033 0.000 0.986 191 G CA 0.169 45.247 45.100 -0.038 0.000 0.643 191 G HN 1.560 nan 8.290 nan 0.000 0.522 192 A N 1.201 123.977 122.820 -0.072 0.000 3.046 192 A HA 0.580 4.899 4.320 -0.000 0.000 0.259 192 A C 1.789 179.339 177.584 -0.057 0.000 1.843 192 A CA 0.487 52.482 52.037 -0.069 0.000 1.451 192 A CB -0.541 18.395 19.000 -0.108 0.000 1.025 192 A HN 0.429 nan 8.150 nan 0.000 0.625 193 I N 0.074 120.640 120.570 -0.007 0.000 2.394 193 I HA -0.153 4.017 4.170 -0.000 0.000 0.251 193 I C 1.532 177.654 176.117 0.009 0.000 1.136 193 I CA 1.159 62.469 61.300 0.017 0.000 1.425 193 I CB -0.855 37.185 38.000 0.066 0.000 1.079 193 I HN 0.435 nan 8.210 nan 0.000 0.425 194 D N 0.885 121.289 120.400 0.006 0.000 2.123 194 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 194 D C 2.010 178.304 176.300 -0.011 0.000 0.976 194 D CA 0.951 54.955 54.000 0.007 0.000 0.831 194 D CB 0.074 40.881 40.800 0.011 0.000 0.974 194 D HN 0.285 nan 8.370 nan 0.000 0.469 195 E N 1.333 121.512 120.200 -0.035 0.000 2.110 195 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 195 E C 2.032 178.577 176.600 -0.090 0.000 0.988 195 E CA 1.031 57.399 56.400 -0.054 0.000 0.804 195 E CB -0.319 29.334 29.700 -0.078 0.000 0.745 195 E HN 0.213 nan 8.360 nan 0.000 0.458 196 A N 0.703 123.454 122.820 -0.115 0.000 1.865 196 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 196 A C 2.225 179.787 177.584 -0.036 0.000 1.191 196 A CA 1.481 53.438 52.037 -0.133 0.000 0.623 196 A CB -0.863 18.075 19.000 -0.104 0.000 0.826 196 A HN 0.216 nan 8.150 nan 0.000 0.444 197 L N -0.905 120.323 121.223 0.008 0.000 2.042 197 L HA -0.230 4.109 4.340 -0.000 0.000 0.210 197 L C 2.687 179.583 176.870 0.043 0.000 1.076 197 L CA 1.915 56.781 54.840 0.043 0.000 0.749 197 L CB -0.608 41.477 42.059 0.044 0.000 0.893 197 L HN 0.625 nan 8.230 nan 0.000 0.432 198 E N 0.139 120.354 120.200 0.025 0.000 2.038 198 E HA -0.267 4.083 4.350 -0.000 0.000 0.195 198 E C 2.169 178.799 176.600 0.051 0.000 1.000 198 E CA 1.313 57.731 56.400 0.031 0.000 0.803 198 E CB 0.082 29.795 29.700 0.022 0.000 0.750 198 E HN 0.331 nan 8.360 nan 0.000 0.448 199 E N 0.184 120.415 120.200 0.052 0.000 2.038 199 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 199 E C 1.998 178.715 176.600 0.196 0.000 1.000 199 E CA 1.099 57.571 56.400 0.120 0.000 0.803 199 E CB -0.385 29.358 29.700 0.071 0.000 0.750 199 E HN 0.376 nan 8.360 nan 0.000 0.448 200 A N 1.781 124.730 122.820 0.215 0.000 1.873 200 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 200 A C 2.132 179.760 177.584 0.073 0.000 1.193 200 A CA 2.122 54.304 52.037 0.243 0.000 0.629 200 A CB -0.494 18.641 19.000 0.224 0.000 0.826 200 A HN 0.161 nan 8.150 nan 0.000 0.447 201 K N -0.558 119.877 120.400 0.057 0.000 1.971 201 K HA -0.131 4.189 4.320 -0.000 0.000 0.221 201 K C 1.933 178.531 176.600 -0.002 0.000 1.050 201 K CA 1.759 58.058 56.287 0.020 0.000 0.967 201 K CB -0.624 31.890 32.500 0.024 0.000 0.733 201 K HN 0.490 nan 8.250 nan 0.000 0.445 202 L N 1.401 122.632 121.223 0.014 0.000 2.187 202 L HA -0.161 4.179 4.340 -0.000 0.000 0.213 202 L C 2.319 179.178 176.870 -0.018 0.000 1.100 202 L CA 1.294 56.136 54.840 0.004 0.000 0.765 202 L CB -0.628 41.445 42.059 0.023 0.000 0.904 202 L HN 0.299 nan 8.230 nan 0.000 0.437 203 S N -2.247 113.435 115.700 -0.030 0.000 2.671 203 S HA -0.026 4.444 4.470 -0.000 0.000 0.220 203 S C 0.750 175.228 174.600 -0.204 0.000 0.951 203 S CA 0.299 58.439 58.200 -0.101 0.000 0.932 203 S CB -0.006 63.130 63.200 -0.105 0.000 0.777 203 S HN 0.492 nan 8.310 nan 0.000 0.508 204 D N 0.979 121.284 120.400 -0.159 0.000 3.068 204 D HA -0.150 4.490 4.640 -0.000 0.000 0.218 204 D C -0.847 175.303 176.300 -0.250 0.000 1.145 204 D CA 0.549 54.444 54.000 -0.175 0.000 0.896 204 D CB -2.086 38.616 40.800 -0.163 0.000 1.105 204 D HN 0.514 nan 8.370 nan 0.000 0.423 205 N N 0.653 119.180 118.700 -0.289 0.000 3.131 205 N HA 0.157 4.896 4.740 -0.000 0.000 0.312 205 N C 1.372 176.820 175.510 -0.103 0.000 1.433 205 N CA -0.294 52.576 53.050 -0.299 0.000 1.141 205 N CB 0.146 38.310 38.487 -0.539 0.000 1.431 205 N HN 0.268 nan 8.380 nan 0.000 0.523 206 I N 0.227 120.746 120.570 -0.086 0.000 2.194 206 I HA -0.290 3.880 4.170 -0.000 0.000 0.246 206 I C 2.250 178.374 176.117 0.012 0.000 1.093 206 I CA 1.408 62.693 61.300 -0.025 0.000 1.355 206 I CB -0.322 37.659 38.000 -0.031 0.000 1.046 206 I HN 0.191 nan 8.210 nan 0.000 0.413 207 S N 0.282 115.981 115.700 -0.003 0.000 2.353 207 S HA -0.127 4.343 4.470 -0.000 0.000 0.222 207 S C 2.097 176.764 174.600 0.112 0.000 1.035 207 S CA 1.140 59.365 58.200 0.041 0.000 1.025 207 S CB -0.331 62.880 63.200 0.017 0.000 0.902 207 S HN 0.282 nan 8.310 nan 0.000 0.440 208 I N 1.341 122.001 120.570 0.150 0.000 2.315 208 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 208 I C 2.672 178.943 176.117 0.256 0.000 1.125 208 I CA 0.855 62.327 61.300 0.287 0.000 1.392 208 I CB -1.418 36.832 38.000 0.417 0.000 1.065 208 I HN 0.450 nan 8.210 nan 0.000 0.424 209 C N 0.993 120.399 119.300 0.177 0.000 2.436 209 C HA -0.220 4.240 4.460 -0.000 0.000 0.277 209 C C 3.017 178.090 174.990 0.139 0.000 1.241 209 C CA 0.904 60.010 59.018 0.147 0.000 1.721 209 C CB -0.794 27.001 27.740 0.093 0.000 2.043 209 C HN 0.423 nan 8.230 nan 0.000 0.472 210 M N 0.424 120.095 119.600 0.118 0.000 2.106 210 M HA -0.152 4.328 4.480 -0.000 0.000 0.259 210 M C 2.045 178.440 176.300 0.158 0.000 1.068 210 M CA 1.912 57.277 55.300 0.109 0.000 1.100 210 M CB -0.570 32.082 32.600 0.087 0.000 1.351 210 M HN 0.389 nan 8.290 nan 0.000 0.404 211 I N 0.512 121.211 120.570 0.214 0.000 2.194 211 I HA -0.315 3.855 4.170 -0.000 0.000 0.246 211 I C 2.275 178.619 176.117 0.378 0.000 1.093 211 I CA 1.685 63.176 61.300 0.318 0.000 1.355 211 I CB -0.922 37.263 38.000 0.309 0.000 1.046 211 I HN 0.393 nan 8.210 nan 0.000 0.413 212 L N -0.108 121.289 121.223 0.291 0.000 2.265 212 L HA -0.213 4.127 4.340 -0.000 0.000 0.215 212 L C 2.588 179.544 176.870 0.144 0.000 1.117 212 L CA 0.768 55.758 54.840 0.249 0.000 0.782 212 L CB -0.527 41.648 42.059 0.193 0.000 0.914 212 L HN 0.362 nan 8.230 nan 0.000 0.441 213 C N -0.283 119.069 119.300 0.087 0.000 2.464 213 C HA 0.032 4.492 4.460 -0.000 0.000 0.278 213 C C 2.752 177.653 174.990 -0.149 0.000 1.375 213 C CA 0.525 59.541 59.018 -0.002 0.000 1.761 213 C CB -1.310 26.436 27.740 0.010 0.000 1.944 213 C HN 0.668 nan 8.230 nan 0.000 0.509 214 G N 0.650 109.280 108.800 -0.284 0.000 2.535 214 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.218 214 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.218 214 G C 1.395 175.534 174.900 -1.269 0.000 1.122 214 G CA 0.333 44.826 45.100 -1.011 0.000 0.769 214 G HN 0.567 nan 8.290 nan 0.000 0.549 215 I N -0.241 119.987 120.570 -0.570 0.000 2.315 215 I HA -0.152 4.018 4.170 -0.000 0.000 0.251 215 I C 1.280 177.312 176.117 -0.142 0.000 1.125 215 I CA 0.795 61.950 61.300 -0.242 0.000 1.392 215 I CB -0.043 37.984 38.000 0.045 0.000 1.065 215 I HN 0.213 nan 8.210 nan 0.000 0.424 216 Q N 0.537 120.242 119.800 -0.158 0.000 2.243 216 Q HA 0.253 4.593 4.340 -0.000 0.000 0.252 216 Q C -0.207 175.689 176.000 -0.173 0.000 0.909 216 Q CA -0.337 55.389 55.803 -0.129 0.000 0.922 216 Q CB 1.439 30.129 28.738 -0.080 0.000 1.215 216 Q HN 0.036 nan 8.270 nan 0.000 0.427 217 E N 0.748 120.785 120.200 -0.271 0.000 2.374 217 E HA 0.037 4.387 4.350 -0.000 0.000 0.260 217 E C -1.439 175.116 176.600 -0.075 0.000 1.101 217 E CA -0.299 55.934 56.400 -0.278 0.000 0.907 217 E CB 0.473 29.998 29.700 -0.291 0.000 1.014 217 E HN 0.465 nan 8.360 nan 0.000 0.427 218 Y N 3.096 123.318 120.300 -0.130 0.000 2.442 218 Y HA 0.311 4.860 4.550 -0.000 0.000 0.330 218 Y C -0.844 174.974 175.900 -0.137 0.000 1.129 218 Y CA 0.234 58.264 58.100 -0.116 0.000 1.365 218 Y CB 0.271 38.694 38.460 -0.061 0.000 1.233 218 Y HN 0.384 nan 8.280 nan 0.000 0.529 219 L N 6.346 127.122 121.223 -0.745 0.000 2.410 219 L HA 0.376 4.715 4.340 -0.000 0.000 0.270 219 L C -1.030 175.266 176.870 -0.957 0.000 0.983 219 L CA -0.829 53.575 54.840 -0.726 0.000 0.822 219 L CB 1.842 43.459 42.059 -0.737 0.000 1.285 219 L HN 0.627 nan 8.230 nan 0.000 0.409 220 N N 3.872 122.195 118.700 -0.628 0.000 2.540 220 N HA 0.336 5.076 4.740 -0.000 0.000 0.275 220 N C -2.288 173.117 175.510 -0.176 0.000 1.053 220 N CA -1.982 50.813 53.050 -0.424 0.000 0.876 220 N CB 2.462 40.789 38.487 -0.268 0.000 1.284 220 N HN 0.122 nan 8.380 nan 0.000 0.518 221 P HA -0.224 nan 4.420 nan 0.000 0.219 221 P C 1.381 178.687 177.300 0.011 0.000 1.158 221 P CA 1.098 64.193 63.100 -0.008 0.000 0.895 221 P CB 0.505 32.224 31.700 0.031 0.000 0.792 222 V N -1.100 118.817 119.914 0.004 0.000 2.295 222 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 222 V C 2.326 178.446 176.094 0.043 0.000 1.049 222 V CA 1.772 64.085 62.300 0.022 0.000 1.024 222 V CB -0.876 30.958 31.823 0.018 0.000 0.648 222 V HN 0.077 nan 8.190 nan 0.000 0.447 223 I N -0.751 119.855 120.570 0.060 0.000 2.512 223 I HA 0.003 4.173 4.170 -0.000 0.000 0.247 223 I C 0.479 176.702 176.117 0.178 0.000 1.094 223 I CA 0.610 61.989 61.300 0.132 0.000 1.427 223 I CB -0.182 37.918 38.000 0.167 0.000 1.149 223 I HN 0.248 nan 8.210 nan 0.000 0.438 224 D N 1.989 122.447 120.400 0.096 0.000 2.551 224 D HA 0.028 4.668 4.640 -0.000 0.000 0.223 224 D C 1.107 177.434 176.300 0.045 0.000 1.144 224 D CA 0.229 54.264 54.000 0.058 0.000 1.025 224 D CB 0.884 41.677 40.800 -0.012 0.000 1.085 224 D HN 0.102 nan 8.370 nan 0.000 0.506 225 T N 1.799 116.398 114.554 0.075 0.000 2.665 225 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 225 T C 1.828 176.553 174.700 0.041 0.000 1.035 225 T CA 1.219 63.355 62.100 0.061 0.000 1.151 225 T CB 0.061 68.976 68.868 0.079 0.000 0.862 225 T HN 0.449 nan 8.240 nan 0.000 0.438 226 Q N 1.292 121.107 119.800 0.024 0.000 2.585 226 Q HA -0.116 4.223 4.340 -0.000 0.000 0.219 226 Q C 1.370 177.381 176.000 0.019 0.000 0.984 226 Q CA 0.921 56.728 55.803 0.007 0.000 0.915 226 Q CB -0.890 27.832 28.738 -0.026 0.000 0.967 226 Q HN 0.775 nan 8.270 nan 0.000 0.530 227 I N -5.899 114.701 120.570 0.049 0.000 4.219 227 I HA 0.450 4.620 4.170 -0.000 0.000 0.329 227 I C 1.248 177.444 176.117 0.133 0.000 1.427 227 I CA -0.169 61.189 61.300 0.097 0.000 1.151 227 I CB 0.109 38.218 38.000 0.181 0.000 1.369 227 I HN -0.106 nan 8.210 nan 0.000 0.521 228 A N 0.969 123.840 122.820 0.085 0.000 2.277 228 A HA -0.059 4.261 4.320 -0.000 0.000 0.208 228 A C 1.928 179.546 177.584 0.056 0.000 1.202 228 A CA 1.380 53.465 52.037 0.080 0.000 0.762 228 A CB -0.876 18.154 19.000 0.051 0.000 0.770 228 A HN 0.600 nan 8.150 nan 0.000 0.487 229 N N -0.257 118.464 118.700 0.035 0.000 2.349 229 N HA -0.055 4.685 4.740 -0.000 0.000 0.180 229 N C 1.508 176.977 175.510 -0.068 0.000 1.024 229 N CA 1.134 54.177 53.050 -0.011 0.000 0.869 229 N CB 0.044 38.520 38.487 -0.019 0.000 1.022 229 N HN 0.628 nan 8.380 nan 0.000 0.433 230 E N -0.911 119.216 120.200 -0.122 0.000 2.150 230 E HA -0.042 4.308 4.350 -0.000 0.000 0.193 230 E C -0.180 176.038 176.600 -0.637 0.000 0.985 230 E CA 0.872 57.018 56.400 -0.422 0.000 0.814 230 E CB 0.160 29.506 29.700 -0.589 0.000 0.752 230 E HN 0.222 nan 8.360 nan 0.000 0.466 231 F N -0.340 119.591 119.950 -0.031 0.000 2.631 231 F HA 0.256 4.783 4.527 -0.000 0.000 0.328 231 F C 0.626 176.409 175.800 -0.029 0.000 1.067 231 F CA -1.118 56.861 58.000 -0.034 0.000 0.969 231 F CB 1.168 40.136 39.000 -0.053 0.000 1.332 231 F HN -0.198 nan 8.300 nan 0.000 0.490 232 N N -2.211 116.602 118.700 0.188 0.000 2.211 232 N HA 0.184 4.924 4.740 -0.000 0.000 0.216 232 N C -0.531 175.023 175.510 0.073 0.000 1.240 232 N CA 0.025 53.132 53.050 0.094 0.000 0.895 232 N CB 0.790 39.311 38.487 0.057 0.000 1.102 232 N HN 0.379 nan 8.380 nan 0.000 0.498 233 T N 1.685 116.291 114.554 0.087 0.000 2.861 233 T HA 0.258 4.608 4.350 -0.000 0.000 0.287 233 T C -0.825 173.852 174.700 -0.038 0.000 1.003 233 T CA -0.857 61.262 62.100 0.031 0.000 0.977 233 T CB 2.066 70.958 68.868 0.040 0.000 0.996 233 T HN 0.179 nan 8.240 nan 0.000 0.448 234 Q N 2.988 122.737 119.800 -0.085 0.000 2.414 234 Q HA 0.165 4.505 4.340 -0.000 0.000 0.288 234 Q C -0.615 175.272 176.000 -0.188 0.000 1.086 234 Q CA 0.139 55.810 55.803 -0.220 0.000 0.943 234 Q CB 0.940 29.608 28.738 -0.116 0.000 1.282 234 Q HN 0.811 nan 8.270 nan 0.000 0.438 235 Q N -0.411 119.192 119.800 -0.328 0.000 2.633 235 Q HA 0.517 4.857 4.340 -0.000 0.000 0.289 235 Q C -1.201 174.705 176.000 -0.156 0.000 0.940 235 Q CA 0.119 55.814 55.803 -0.180 0.000 0.785 235 Q CB 1.443 30.075 28.738 -0.175 0.000 1.467 235 Q HN 1.218 nan 8.270 nan 0.000 0.401 236 G N 0.646 109.425 108.800 -0.034 0.000 2.712 236 G HA2 0.044 4.004 3.960 -0.000 0.000 0.683 236 G HA3 0.044 4.004 3.960 -0.000 0.000 0.683 236 G C -1.282 173.697 174.900 0.131 0.000 1.320 236 G CA -0.340 44.761 45.100 0.001 0.000 0.847 236 G HN 1.170 nan 8.290 nan 0.000 0.553 237 I N -2.122 118.495 120.570 0.078 0.000 2.433 237 I HA 0.736 4.905 4.170 -0.000 0.000 0.292 237 I C 0.968 177.123 176.117 0.062 0.000 1.001 237 I CA -1.027 60.303 61.300 0.049 0.000 1.119 237 I CB 1.630 39.599 38.000 -0.052 0.000 1.289 237 I HN 0.676 nan 8.210 nan 0.000 0.438 238 K N 3.971 124.311 120.400 -0.099 0.000 2.002 238 K HA 0.023 4.343 4.320 -0.000 0.000 0.209 238 K C 0.394 176.984 176.600 -0.016 0.000 1.048 238 K CA 1.465 57.659 56.287 -0.155 0.000 0.930 238 K CB -0.178 32.110 32.500 -0.354 0.000 0.714 238 K HN 0.555 nan 8.250 nan 0.000 0.438 239 K N 1.714 122.115 120.400 0.002 0.000 3.216 239 K HA 0.007 4.326 4.320 -0.000 0.000 0.277 239 K C 0.776 177.451 176.600 0.124 0.000 1.246 239 K CA -0.014 56.301 56.287 0.047 0.000 1.227 239 K CB -0.083 32.432 32.500 0.025 0.000 1.487 239 K HN 0.279 nan 8.250 nan 0.000 0.341 240 H N 0.667 119.782 119.070 0.075 0.000 2.319 240 H HA -0.124 4.432 4.556 -0.000 0.000 0.299 240 H C 1.427 176.884 175.328 0.216 0.000 1.092 240 H CA 1.805 57.951 56.048 0.164 0.000 1.302 240 H CB 0.589 30.413 29.762 0.102 0.000 1.373 240 H HN 0.258 nan 8.280 nan 0.000 0.497 241 S N 0.689 116.512 115.700 0.206 0.000 2.374 241 S HA -0.167 4.303 4.470 -0.000 0.000 0.227 241 S C 2.205 176.844 174.600 0.064 0.000 1.037 241 S CA 1.179 59.451 58.200 0.121 0.000 1.024 241 S CB -0.454 62.790 63.200 0.073 0.000 0.861 241 S HN 0.253 nan 8.310 nan 0.000 0.456 242 L N 0.942 122.203 121.223 0.063 0.000 1.970 242 L HA -0.089 4.251 4.340 -0.000 0.000 0.212 242 L C 1.954 178.830 176.870 0.011 0.000 1.071 242 L CA 1.981 56.839 54.840 0.030 0.000 0.751 242 L CB -1.257 40.824 42.059 0.037 0.000 0.889 242 L HN 0.518 nan 8.230 nan 0.000 0.432 243 W N 0.951 122.169 121.300 -0.136 0.000 2.290 243 W HA -0.339 4.321 4.660 -0.000 0.000 0.323 243 W C 2.940 179.352 176.519 -0.178 0.000 1.260 243 W CA 3.094 60.323 57.345 -0.193 0.000 1.266 243 W CB -0.460 28.795 29.460 -0.342 0.000 1.149 243 W HN 0.207 nan 8.180 nan 0.000 0.482 244 R N -0.092 120.276 120.500 -0.220 0.000 2.094 244 R HA -0.243 4.097 4.340 -0.000 0.000 0.239 244 R C 2.339 178.480 176.300 -0.264 0.000 1.137 244 R CA 2.252 58.158 56.100 -0.324 0.000 0.943 244 R CB -0.426 29.856 30.300 -0.030 0.000 0.850 244 R HN 0.068 nan 8.270 nan 0.000 0.433 245 R N -0.445 119.981 120.500 -0.123 0.000 2.083 245 R HA -0.073 4.266 4.340 -0.000 0.000 0.237 245 R C 2.351 178.591 176.300 -0.101 0.000 1.137 245 R CA 2.271 58.350 56.100 -0.035 0.000 0.951 245 R CB -0.822 29.471 30.300 -0.013 0.000 0.851 245 R HN 0.305 nan 8.270 nan 0.000 0.434 246 T N 0.217 114.658 114.554 -0.188 0.000 2.624 246 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 246 T C 1.898 176.394 174.700 -0.340 0.000 1.041 246 T CA 1.814 63.775 62.100 -0.233 0.000 1.159 246 T CB -0.455 68.272 68.868 -0.234 0.000 0.863 246 T HN -0.012 nan 8.240 nan 0.000 0.434 247 V N 0.377 119.972 119.914 -0.531 0.000 2.261 247 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 247 V C 2.053 177.955 176.094 -0.320 0.000 1.047 247 V CA 1.746 63.683 62.300 -0.605 0.000 1.015 247 V CB -0.820 30.467 31.823 -0.893 0.000 0.642 247 V HN 0.459 nan 8.190 nan 0.000 0.446 248 Y N 1.388 121.497 120.300 -0.317 0.000 2.081 248 Y HA -0.310 4.239 4.550 -0.000 0.000 0.280 248 Y C 2.983 178.802 175.900 -0.134 0.000 1.163 248 Y CA 1.876 59.870 58.100 -0.177 0.000 1.135 248 Y CB -0.885 37.485 38.460 -0.149 0.000 0.970 248 Y HN 0.248 nan 8.280 nan 0.000 0.498 249 S N -0.191 115.306 115.700 -0.338 0.000 2.365 249 S HA -0.223 4.247 4.470 -0.000 0.000 0.225 249 S C 2.138 176.554 174.600 -0.307 0.000 1.039 249 S CA 1.582 59.562 58.200 -0.366 0.000 1.033 249 S CB -0.955 62.128 63.200 -0.195 0.000 0.887 249 S HN 0.480 nan 8.310 nan 0.000 0.447 250 L N 2.420 123.484 121.223 -0.265 0.000 2.081 250 L HA -0.071 4.269 4.340 -0.000 0.000 0.212 250 L C 2.586 179.398 176.870 -0.096 0.000 1.080 250 L CA 2.665 57.376 54.840 -0.215 0.000 0.754 250 L CB -1.328 40.504 42.059 -0.378 0.000 0.893 250 L HN 0.615 nan 8.230 nan 0.000 0.433 251 S N -1.731 113.922 115.700 -0.079 0.000 2.399 251 S HA -0.212 4.258 4.470 -0.000 0.000 0.231 251 S C 1.841 176.377 174.600 -0.107 0.000 1.022 251 S CA 1.048 59.268 58.200 0.034 0.000 0.983 251 S CB -0.522 62.701 63.200 0.039 0.000 0.803 251 S HN 0.621 nan 8.310 nan 0.000 0.480 252 Q N 0.970 120.622 119.800 -0.246 0.000 2.378 252 Q HA 0.181 4.521 4.340 -0.000 0.000 0.205 252 Q C 0.365 176.276 176.000 -0.149 0.000 0.954 252 Q CA 0.455 56.118 55.803 -0.233 0.000 0.901 252 Q CB -0.248 28.276 28.738 -0.357 0.000 0.981 252 Q HN 0.757 nan 8.270 nan 0.000 0.483 253 Q N 0.712 120.438 119.800 -0.123 0.000 2.300 253 Q HA 0.333 4.673 4.340 -0.000 0.000 0.262 253 Q C -0.388 175.573 176.000 -0.066 0.000 1.109 253 Q CA -0.405 55.346 55.803 -0.087 0.000 0.905 253 Q CB 0.758 29.453 28.738 -0.073 0.000 1.280 253 Q HN 0.129 nan 8.270 nan 0.000 0.426 254 A N 1.935 124.716 122.820 -0.066 0.000 2.386 254 A HA 0.542 4.862 4.320 -0.000 0.000 0.246 254 A C 1.222 178.778 177.584 -0.045 0.000 1.089 254 A CA 0.594 52.596 52.037 -0.059 0.000 0.790 254 A CB 0.081 19.046 19.000 -0.058 0.000 1.042 254 A HN 0.982 nan 8.150 nan 0.000 0.497 255 G N -1.173 107.604 108.800 -0.039 0.000 2.201 255 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.212 255 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.212 255 G C 0.002 174.896 174.900 -0.009 0.000 0.994 255 G CA 0.145 45.230 45.100 -0.026 0.000 0.644 255 G HN 0.686 nan 8.290 nan 0.000 0.508 256 L N 0.958 122.166 121.223 -0.024 0.000 2.352 256 L HA 0.484 4.824 4.340 -0.000 0.000 0.269 256 L C 0.289 177.123 176.870 -0.060 0.000 1.034 256 L CA -0.999 53.820 54.840 -0.035 0.000 0.806 256 L CB 1.199 43.223 42.059 -0.058 0.000 1.244 256 L HN 0.145 nan 8.230 nan 0.000 0.447 257 D N 1.685 122.040 120.400 -0.075 0.000 2.443 257 D HA 0.024 4.664 4.640 -0.000 0.000 0.239 257 D C -1.820 174.418 176.300 -0.103 0.000 1.136 257 D CA -1.177 52.820 54.000 -0.005 0.000 0.879 257 D CB 1.957 42.827 40.800 0.117 0.000 1.195 257 D HN 0.214 nan 8.370 nan 0.000 0.443 258 P HA -0.137 nan 4.420 nan 0.000 0.216 258 P C 0.806 177.867 177.300 -0.399 0.000 1.150 258 P CA 1.272 64.228 63.100 -0.240 0.000 0.837 258 P CB 0.008 31.552 31.700 -0.260 0.000 0.786 259 Y N -0.531 119.659 120.300 -0.182 0.000 2.314 259 Y HA -0.128 4.422 4.550 -0.000 0.000 0.293 259 Y C 2.655 178.320 175.900 -0.391 0.000 1.129 259 Y CA 1.107 59.017 58.100 -0.315 0.000 1.201 259 Y CB -0.332 38.022 38.460 -0.177 0.000 0.999 259 Y HN 0.026 nan 8.280 nan 0.000 0.541 260 E N 0.677 120.646 120.200 -0.386 0.000 2.028 260 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 260 E C 2.170 178.334 176.600 -0.726 0.000 0.988 260 E CA 1.202 57.117 56.400 -0.809 0.000 0.799 260 E CB -0.046 28.892 29.700 -1.270 0.000 0.755 260 E HN 0.322 nan 8.360 nan 0.000 0.447 261 R N 0.167 120.400 120.500 -0.445 0.000 2.105 261 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 261 R C 2.439 178.588 176.300 -0.251 0.000 1.135 261 R CA 1.111 57.048 56.100 -0.271 0.000 0.967 261 R CB -0.444 29.746 30.300 -0.184 0.000 0.861 261 R HN 0.251 nan 8.270 nan 0.000 0.442 262 A N 1.392 124.011 122.820 -0.335 0.000 1.933 262 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 262 A C 2.167 179.696 177.584 -0.092 0.000 1.175 262 A CA 1.139 52.987 52.037 -0.315 0.000 0.628 262 A CB -0.431 18.115 19.000 -0.757 0.000 0.814 262 A HN 0.171 nan 8.150 nan 0.000 0.444 263 I N -1.563 118.915 120.570 -0.154 0.000 2.142 263 I HA -0.268 3.902 4.170 -0.000 0.000 0.240 263 I C 2.325 178.510 176.117 0.114 0.000 1.078 263 I CA 1.433 62.755 61.300 0.037 0.000 1.343 263 I CB -0.556 37.372 38.000 -0.119 0.000 1.046 263 I HN 0.378 nan 8.210 nan 0.000 0.405 264 Y N 0.859 121.206 120.300 0.078 0.000 2.274 264 Y HA -0.161 4.389 4.550 -0.000 0.000 0.290 264 Y C 2.934 178.864 175.900 0.051 0.000 1.145 264 Y CA 0.534 58.652 58.100 0.030 0.000 1.203 264 Y CB -1.359 37.070 38.460 -0.052 0.000 0.984 264 Y HN 0.096 nan 8.280 nan 0.000 0.533 265 S N -0.527 115.288 115.700 0.192 0.000 2.351 265 S HA -0.261 4.209 4.470 -0.000 0.000 0.220 265 S C 1.865 176.566 174.600 0.168 0.000 1.035 265 S CA 1.568 59.866 58.200 0.164 0.000 1.031 265 S CB -0.853 62.407 63.200 0.100 0.000 0.928 265 S HN 0.526 nan 8.310 nan 0.000 0.433 266 Y N 2.365 122.724 120.300 0.098 0.000 2.081 266 Y HA -0.188 4.362 4.550 -0.000 0.000 0.280 266 Y C 2.056 178.024 175.900 0.113 0.000 1.163 266 Y CA 1.519 59.669 58.100 0.084 0.000 1.135 266 Y CB -0.610 37.908 38.460 0.097 0.000 0.970 266 Y HN 0.154 nan 8.280 nan 0.000 0.498 267 L N -0.984 120.392 121.223 0.254 0.000 2.081 267 L HA -0.293 4.047 4.340 -0.000 0.000 0.212 267 L C 2.297 179.207 176.870 0.066 0.000 1.080 267 L CA 1.787 56.758 54.840 0.219 0.000 0.754 267 L CB -0.794 41.467 42.059 0.336 0.000 0.893 267 L HN 0.184 nan 8.230 nan 0.000 0.433 268 S N -0.661 115.041 115.700 0.002 0.000 2.489 268 S HA 0.067 4.537 4.470 -0.000 0.000 0.228 268 S C 1.460 176.012 174.600 -0.080 0.000 0.995 268 S CA 0.790 58.956 58.200 -0.057 0.000 0.934 268 S CB 0.236 63.456 63.200 0.034 0.000 0.771 268 S HN 0.688 nan 8.310 nan 0.000 0.522 269 G N 1.010 109.746 108.800 -0.106 0.000 2.132 269 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.228 269 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.228 269 G C 0.035 174.848 174.900 -0.145 0.000 1.000 269 G CA 0.057 45.066 45.100 -0.151 0.000 0.693 269 G HN 0.820 nan 8.290 nan 0.000 0.515 270 A N -0.823 121.935 122.820 -0.104 0.000 2.284 270 A HA 0.906 5.226 4.320 -0.000 0.000 0.317 270 A C 0.207 177.760 177.584 -0.052 0.000 1.120 270 A CA -0.778 51.210 52.037 -0.083 0.000 0.900 270 A CB 0.946 19.947 19.000 0.003 0.000 1.319 270 A HN 0.696 nan 8.150 nan 0.000 0.494 271 I N 2.032 122.573 120.570 -0.048 0.000 2.331 271 I HA 0.285 4.455 4.170 -0.000 0.000 0.292 271 I C -1.834 174.278 176.117 -0.008 0.000 0.998 271 I CA -1.905 59.352 61.300 -0.072 0.000 1.267 271 I CB 1.595 39.518 38.000 -0.129 0.000 1.386 271 I HN 0.496 nan 8.210 nan 0.000 0.476 272 P HA -0.027 nan 4.420 nan 0.000 0.269 272 P C -0.928 176.339 177.300 -0.056 0.000 1.211 272 P CA -0.216 62.875 63.100 -0.015 0.000 0.781 272 P CB 0.205 31.904 31.700 -0.001 0.000 0.877 273 N N 0.689 119.327 118.700 -0.103 0.000 2.307 273 N HA -0.097 4.642 4.740 -0.000 0.000 0.230 273 N C 1.201 176.633 175.510 -0.130 0.000 1.297 273 N CA -0.283 52.700 53.050 -0.113 0.000 0.884 273 N CB 0.151 38.552 38.487 -0.143 0.000 1.115 273 N HN 0.299 nan 8.380 nan 0.000 0.436 274 Q N 0.303 120.034 119.800 -0.115 0.000 2.045 274 Q HA -0.254 4.086 4.340 -0.000 0.000 0.206 274 Q C 1.459 177.340 176.000 -0.198 0.000 0.991 274 Q CA 1.812 57.540 55.803 -0.126 0.000 0.851 274 Q CB -0.543 28.135 28.738 -0.100 0.000 0.911 274 Q HN 0.857 nan 8.270 nan 0.000 0.418 275 E N -0.942 119.129 120.200 -0.215 0.000 2.130 275 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 275 E C 1.886 178.251 176.600 -0.392 0.000 0.998 275 E CA 1.438 57.673 56.400 -0.276 0.000 0.806 275 E CB 0.246 29.818 29.700 -0.213 0.000 0.738 275 E HN 0.157 nan 8.360 nan 0.000 0.459 276 V N 0.250 119.941 119.914 -0.372 0.000 2.492 276 V HA -0.138 3.982 4.120 -0.000 0.000 0.241 276 V C 2.060 178.054 176.094 -0.167 0.000 1.041 276 V CA 0.738 62.813 62.300 -0.375 0.000 1.057 276 V CB -0.168 31.299 31.823 -0.593 0.000 0.711 276 V HN 0.249 nan 8.190 nan 0.000 0.468 277 L N 1.084 122.227 121.223 -0.134 0.000 2.265 277 L HA -0.187 4.153 4.340 -0.000 0.000 0.215 277 L C 2.495 179.346 176.870 -0.032 0.000 1.117 277 L CA 2.092 56.920 54.840 -0.020 0.000 0.782 277 L CB -0.803 41.250 42.059 -0.010 0.000 0.914 277 L HN 0.565 nan 8.230 nan 0.000 0.441 278 Q N -1.445 118.238 119.800 -0.195 0.000 2.291 278 Q HA -0.238 4.101 4.340 -0.000 0.000 0.206 278 Q C 1.099 177.013 176.000 -0.142 0.000 0.976 278 Q CA 1.834 57.489 55.803 -0.247 0.000 0.875 278 Q CB -0.417 28.046 28.738 -0.458 0.000 0.927 278 Q HN 0.703 nan 8.270 nan 0.000 0.450 279 Y N 1.127 121.490 120.300 0.106 0.000 2.458 279 Y HA 0.200 4.750 4.550 -0.000 0.000 0.256 279 Y C 0.697 176.691 175.900 0.157 0.000 1.159 279 Y CA -0.627 57.553 58.100 0.133 0.000 1.261 279 Y CB 0.795 39.345 38.460 0.150 0.000 1.119 279 Y HN 0.110 nan 8.280 nan 0.000 0.524 280 S N 0.762 116.631 115.700 0.281 0.000 2.562 280 S HA 0.181 4.651 4.470 -0.000 0.000 0.275 280 S C -0.385 174.360 174.600 0.242 0.000 1.281 280 S CA -1.002 57.339 58.200 0.235 0.000 1.045 280 S CB 1.287 64.605 63.200 0.196 0.000 0.962 280 S HN 0.297 nan 8.310 nan 0.000 0.503 281 D N 0.985 121.453 120.400 0.113 0.000 2.487 281 D HA 0.084 4.723 4.640 -0.000 0.000 0.262 281 D C 0.791 176.901 176.300 -0.316 0.000 1.130 281 D CA -0.952 53.017 54.000 -0.052 0.000 1.038 281 D CB 0.249 41.069 40.800 0.032 0.000 1.142 281 D HN 0.599 nan 8.370 nan 0.000 0.575 282 W N 0.899 121.786 121.300 -0.689 0.000 2.278 282 W HA -0.325 4.335 4.660 -0.000 0.000 0.339 282 W C 2.103 178.509 176.519 -0.188 0.000 1.348 282 W CA 2.783 59.840 57.345 -0.481 0.000 1.289 282 W CB -0.327 28.977 29.460 -0.259 0.000 1.124 282 W HN 0.535 nan 8.180 nan 0.000 0.469 283 E N -0.399 119.834 120.200 0.056 0.000 2.033 283 E HA -0.239 4.111 4.350 -0.000 0.000 0.199 283 E C 2.347 178.890 176.600 -0.095 0.000 1.011 283 E CA 2.047 58.399 56.400 -0.080 0.000 0.815 283 E CB -1.273 28.399 29.700 -0.047 0.000 0.755 283 E HN 0.153 nan 8.360 nan 0.000 0.451 284 S N 0.139 115.824 115.700 -0.025 0.000 2.377 284 S HA -0.259 4.211 4.470 -0.000 0.000 0.224 284 S C 1.809 176.439 174.600 0.050 0.000 1.042 284 S CA 1.699 59.920 58.200 0.036 0.000 1.086 284 S CB -0.551 62.685 63.200 0.059 0.000 0.995 284 S HN 0.339 nan 8.310 nan 0.000 0.428 285 D N 0.431 120.843 120.400 0.019 0.000 2.104 285 D HA -0.129 4.511 4.640 -0.000 0.000 0.194 285 D C 2.064 178.416 176.300 0.087 0.000 0.994 285 D CA 1.183 55.246 54.000 0.106 0.000 0.830 285 D CB -0.269 40.609 40.800 0.130 0.000 0.959 285 D HN 0.344 nan 8.370 nan 0.000 0.452 286 L N 0.501 121.614 121.223 -0.184 0.000 2.083 286 L HA -0.117 4.222 4.340 -0.000 0.000 0.209 286 L C 2.321 179.195 176.870 0.007 0.000 1.083 286 L CA 1.926 56.620 54.840 -0.244 0.000 0.752 286 L CB -1.011 40.648 42.059 -0.668 0.000 0.899 286 L HN 0.183 nan 8.230 nan 0.000 0.433 287 H N -0.710 118.308 119.070 -0.086 0.000 2.253 287 H HA -0.185 4.371 4.556 -0.000 0.000 0.296 287 H C 2.229 177.613 175.328 0.094 0.000 1.074 287 H CA 1.981 58.023 56.048 -0.011 0.000 1.263 287 H CB 0.152 29.887 29.762 -0.046 0.000 1.363 287 H HN 0.274 nan 8.280 nan 0.000 0.489 288 I N 0.991 121.632 120.570 0.119 0.000 2.091 288 I HA -0.357 3.813 4.170 -0.000 0.000 0.240 288 I C 2.331 178.450 176.117 0.003 0.000 1.046 288 I CA 1.940 63.266 61.300 0.043 0.000 1.306 288 I CB -1.553 36.451 38.000 0.006 0.000 1.018 288 I HN 0.499 nan 8.210 nan 0.000 0.404 289 H N 0.233 119.326 119.070 0.039 0.000 2.421 289 H HA -0.049 4.507 4.556 -0.000 0.000 0.298 289 H C 2.279 177.618 175.328 0.018 0.000 1.087 289 H CA 0.937 56.996 56.048 0.017 0.000 1.330 289 H CB -0.260 29.501 29.762 -0.001 0.000 1.388 289 H HN 0.281 nan 8.280 nan 0.000 0.526 290 L N -0.159 121.157 121.223 0.154 0.000 2.156 290 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 290 L C 2.258 179.184 176.870 0.094 0.000 1.095 290 L CA 0.837 55.741 54.840 0.106 0.000 0.770 290 L CB -0.269 41.849 42.059 0.099 0.000 0.914 290 L HN 0.294 nan 8.230 nan 0.000 0.439 291 N N 0.550 119.317 118.700 0.110 0.000 2.069 291 N HA -0.299 4.441 4.740 -0.000 0.000 0.191 291 N C 1.879 177.360 175.510 -0.049 0.000 1.031 291 N CA 1.810 54.876 53.050 0.027 0.000 0.852 291 N CB -0.079 38.338 38.487 -0.117 0.000 1.018 291 N HN 0.324 nan 8.380 nan 0.000 0.423 292 Q N -0.163 119.601 119.800 -0.060 0.000 2.084 292 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 292 Q C 1.979 177.956 176.000 -0.039 0.000 0.978 292 Q CA 1.562 57.322 55.803 -0.072 0.000 0.844 292 Q CB -0.122 28.566 28.738 -0.084 0.000 0.898 292 Q HN 0.468 nan 8.270 nan 0.000 0.426 293 I N 0.416 120.981 120.570 -0.008 0.000 2.163 293 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 293 I C 2.360 178.468 176.117 -0.016 0.000 1.085 293 I CA 0.797 62.088 61.300 -0.015 0.000 1.347 293 I CB -0.742 37.260 38.000 0.002 0.000 1.044 293 I HN 0.339 nan 8.210 nan 0.000 0.408 294 L N 0.915 122.139 121.223 0.002 0.000 1.955 294 L HA -0.283 4.057 4.340 -0.000 0.000 0.213 294 L C 2.702 179.562 176.870 -0.016 0.000 1.072 294 L CA 2.013 56.853 54.840 -0.000 0.000 0.755 294 L CB -0.950 41.128 42.059 0.032 0.000 0.888 294 L HN 0.185 nan 8.230 nan 0.000 0.432 295 Q N -1.171 118.615 119.800 -0.023 0.000 2.082 295 Q HA -0.251 4.089 4.340 -0.000 0.000 0.211 295 Q C 2.042 178.036 176.000 -0.011 0.000 1.002 295 Q CA 3.128 58.920 55.803 -0.018 0.000 0.868 295 Q CB -0.610 28.100 28.738 -0.048 0.000 0.931 295 Q HN 0.618 nan 8.270 nan 0.000 0.414 296 T N 0.639 115.176 114.554 -0.028 0.000 2.643 296 T HA -0.157 4.193 4.350 -0.000 0.000 0.264 296 T C 1.514 176.211 174.700 -0.004 0.000 1.045 296 T CA 1.318 63.403 62.100 -0.025 0.000 1.155 296 T CB -0.370 68.471 68.868 -0.044 0.000 0.863 296 T HN 0.276 nan 8.240 nan 0.000 0.420 297 E N 0.777 120.973 120.200 -0.007 0.000 2.086 297 E HA -0.132 4.218 4.350 -0.000 0.000 0.200 297 E C 2.212 178.843 176.600 0.051 0.000 1.012 297 E CA 1.085 57.492 56.400 0.013 0.000 0.812 297 E CB -0.546 29.151 29.700 -0.005 0.000 0.743 297 E HN 0.427 nan 8.360 nan 0.000 0.453 298 I N 1.025 121.617 120.570 0.035 0.000 2.142 298 I HA -0.245 3.924 4.170 -0.000 0.000 0.240 298 I C 2.497 178.678 176.117 0.107 0.000 1.078 298 I CA 1.374 62.717 61.300 0.071 0.000 1.343 298 I CB -0.489 37.525 38.000 0.023 0.000 1.046 298 I HN 0.133 nan 8.210 nan 0.000 0.405 299 E N 0.528 120.767 120.200 0.065 0.000 2.085 299 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 299 E C 1.998 178.624 176.600 0.043 0.000 0.994 299 E CA 1.376 57.809 56.400 0.055 0.000 0.801 299 E CB 0.003 29.726 29.700 0.039 0.000 0.743 299 E HN 0.448 nan 8.360 nan 0.000 0.453 300 N N -0.307 118.423 118.700 0.051 0.000 2.142 300 N HA -0.190 4.549 4.740 -0.000 0.000 0.186 300 N C 1.659 177.202 175.510 0.056 0.000 1.023 300 N CA 1.067 54.141 53.050 0.041 0.000 0.852 300 N CB -0.506 38.009 38.487 0.045 0.000 0.998 300 N HN 0.290 nan 8.380 nan 0.000 0.424 301 Y N 2.000 122.298 120.300 -0.003 0.000 2.207 301 Y HA -0.108 4.442 4.550 -0.000 0.000 0.287 301 Y C 2.175 178.072 175.900 -0.006 0.000 1.156 301 Y CA 1.308 59.413 58.100 0.010 0.000 1.182 301 Y CB -0.408 38.068 38.460 0.026 0.000 0.979 301 Y HN -0.011 nan 8.280 nan 0.000 0.521 302 L N -1.010 120.173 121.223 -0.067 0.000 2.109 302 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 302 L C 2.403 179.148 176.870 -0.207 0.000 1.086 302 L CA 0.912 55.642 54.840 -0.183 0.000 0.760 302 L CB -0.559 41.464 42.059 -0.060 0.000 0.910 302 L HN 0.254 nan 8.230 nan 0.000 0.437 303 L N -0.362 120.788 121.223 -0.120 0.000 2.056 303 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 303 L C 2.471 179.260 176.870 -0.134 0.000 1.078 303 L CA 1.223 56.001 54.840 -0.104 0.000 0.749 303 L CB -0.364 41.663 42.059 -0.054 0.000 0.901 303 L HN 0.242 nan 8.230 nan 0.000 0.433 304 E N -0.086 120.027 120.200 -0.145 0.000 2.267 304 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 304 E C 0.903 177.377 176.600 -0.210 0.000 0.998 304 E CA 0.721 57.033 56.400 -0.147 0.000 0.830 304 E CB -0.018 29.610 29.700 -0.119 0.000 0.751 304 E HN 0.488 nan 8.360 nan 0.000 0.491 305 N N 1.070 119.579 118.700 -0.320 0.000 2.273 305 N HA 0.032 4.772 4.740 -0.000 0.000 0.231 305 N C -0.785 174.536 175.510 -0.314 0.000 1.134 305 N CA -0.049 52.796 53.050 -0.342 0.000 0.856 305 N CB 0.488 38.656 38.487 -0.532 0.000 1.068 305 N HN 0.067 nan 8.380 nan 0.000 0.510 306 N N 1.902 120.468 118.700 -0.223 0.000 2.650 306 N HA -0.170 4.570 4.740 -0.000 0.000 0.272 306 N C -0.097 175.271 175.510 -0.237 0.000 1.058 306 N CA 0.698 53.642 53.050 -0.177 0.000 0.765 306 N CB -0.338 38.074 38.487 -0.124 0.000 0.902 306 N HN 0.455 nan 8.380 nan 0.000 0.551 307 Q N -0.812 118.829 119.800 -0.265 0.000 2.103 307 Q HA 0.224 4.564 4.340 -0.000 0.000 0.219 307 Q C -0.276 175.629 176.000 -0.158 0.000 0.784 307 Q CA 0.135 55.765 55.803 -0.289 0.000 1.014 307 Q CB 1.389 29.823 28.738 -0.507 0.000 1.183 307 Q HN 0.231 nan 8.270 nan 0.000 0.469 308 V N 0.444 120.288 119.914 -0.116 0.000 2.448 308 V HA 0.690 4.810 4.120 -0.000 0.000 0.295 308 V C 0.260 176.324 176.094 -0.051 0.000 1.025 308 V CA -0.901 61.363 62.300 -0.060 0.000 0.859 308 V CB 1.758 33.554 31.823 -0.045 0.000 0.988 308 V HN 0.208 nan 8.190 nan 0.000 0.431 309 G N 2.072 110.852 108.800 -0.032 0.000 2.338 309 G HA2 0.421 4.381 3.960 -0.000 0.000 0.298 309 G HA3 0.421 4.381 3.960 -0.000 0.000 0.298 309 G C 0.941 175.829 174.900 -0.020 0.000 1.140 309 G CA 0.273 45.356 45.100 -0.028 0.000 0.860 309 G HN 0.786 nan 8.290 nan 0.000 0.470 310 T N 1.561 116.102 114.554 -0.021 0.000 2.685 310 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 310 T C 1.659 176.352 174.700 -0.012 0.000 1.034 310 T CA 1.671 63.761 62.100 -0.016 0.000 1.149 310 T CB -0.172 68.687 68.868 -0.016 0.000 0.860 310 T HN 0.540 nan 8.240 nan 0.000 0.449 311 D N 1.521 121.914 120.400 -0.011 0.000 2.172 311 D HA -0.145 4.495 4.640 -0.000 0.000 0.196 311 D C 2.091 178.387 176.300 -0.006 0.000 0.999 311 D CA 1.293 55.288 54.000 -0.009 0.000 0.856 311 D CB -0.253 40.541 40.800 -0.010 0.000 0.934 311 D HN 0.607 nan 8.370 nan 0.000 0.453 312 E N 0.164 120.362 120.200 -0.003 0.000 2.268 312 E HA -0.046 4.304 4.350 -0.000 0.000 0.195 312 E C 0.840 177.441 176.600 0.002 0.000 0.995 312 E CA 0.047 56.449 56.400 0.004 0.000 0.836 312 E CB 0.009 29.718 29.700 0.015 0.000 0.763 312 E HN 0.304 nan 8.360 nan 0.000 0.491 313 L N 2.307 123.529 121.223 -0.002 0.000 2.436 313 L HA -0.020 4.320 4.340 -0.000 0.000 0.244 313 L C 1.062 177.930 176.870 -0.003 0.000 1.396 313 L CA -0.537 54.302 54.840 -0.003 0.000 1.217 313 L CB -0.211 41.844 42.059 -0.006 0.000 1.420 313 L HN 0.128 nan 8.230 nan 0.000 0.434 314 I N 0.815 121.384 120.570 -0.002 0.000 2.252 314 I HA -0.084 4.086 4.170 -0.000 0.000 0.245 314 I C 0.961 177.080 176.117 0.003 0.000 1.102 314 I CA 1.351 62.649 61.300 -0.003 0.000 1.385 314 I CB -0.368 37.626 38.000 -0.009 0.000 1.064 314 I HN 0.335 nan 8.210 nan 0.000 0.414 315 L N -0.150 121.080 121.223 0.013 0.000 2.403 315 L HA 0.428 4.768 4.340 -0.000 0.000 0.253 315 L C -2.562 174.322 176.870 0.024 0.000 1.045 315 L CA -1.594 53.265 54.840 0.031 0.000 0.845 315 L CB 2.191 44.295 42.059 0.074 0.000 1.447 315 L HN -0.157 nan 8.230 nan 0.000 0.411 316 P HA 0.414 nan 4.420 nan 0.000 0.296 316 P C -1.502 175.776 177.300 -0.036 0.000 1.306 316 P CA -0.280 62.821 63.100 0.001 0.000 0.818 316 P CB 1.506 33.212 31.700 0.009 0.000 0.969 317 L N 5.315 126.486 121.223 -0.086 0.000 2.362 317 L HA 0.391 4.731 4.340 -0.000 0.000 0.275 317 L C -1.939 174.865 176.870 -0.111 0.000 0.998 317 L CA -2.311 52.421 54.840 -0.181 0.000 0.820 317 L CB 2.192 44.127 42.059 -0.207 0.000 1.270 317 L HN 0.278 nan 8.230 nan 0.000 0.415 318 P HA -0.040 nan 4.420 nan 0.000 0.257 318 P C 0.342 177.627 177.300 -0.025 0.000 1.162 318 P CA 0.190 63.264 63.100 -0.044 0.000 0.762 318 P CB 0.635 32.310 31.700 -0.041 0.000 0.753 319 S N 0.765 116.474 115.700 0.014 0.000 2.535 319 S HA -0.016 4.453 4.470 -0.000 0.000 0.214 319 S C 0.615 175.251 174.600 0.061 0.000 0.980 319 S CA -0.102 58.112 58.200 0.023 0.000 0.907 319 S CB -0.491 62.724 63.200 0.025 0.000 0.790 319 S HN 0.658 nan 8.310 nan 0.000 0.510 320 H N 1.975 121.039 119.070 -0.010 0.000 2.604 320 H HA 0.667 5.223 4.556 -0.000 0.000 0.306 320 H C -0.212 175.119 175.328 0.005 0.000 1.075 320 H CA -0.212 55.837 56.048 0.001 0.000 1.357 320 H CB 0.763 30.526 29.762 0.003 0.000 1.426 320 H HN 0.300 nan 8.280 nan 0.000 0.470 321 A N 6.633 129.122 122.820 -0.552 0.000 2.301 321 A HA 0.382 4.702 4.320 -0.000 0.000 0.298 321 A C -0.097 177.194 177.584 -0.488 0.000 1.185 321 A CA -0.753 51.050 52.037 -0.390 0.000 0.830 321 A CB 0.202 19.081 19.000 -0.202 0.000 1.112 321 A HN 0.795 nan 8.150 nan 0.000 0.508 322 L N 1.192 122.286 121.223 -0.216 0.000 2.456 322 L HA 0.326 4.665 4.340 -0.000 0.000 0.246 322 L C 1.312 178.141 176.870 -0.068 0.000 1.238 322 L CA -0.049 54.735 54.840 -0.094 0.000 0.826 322 L CB 0.395 42.460 42.059 0.010 0.000 1.150 322 L HN 0.892 nan 8.230 nan 0.000 0.514 323 T N -3.340 111.207 114.554 -0.012 0.000 2.940 323 T HA 0.343 4.693 4.350 -0.000 0.000 0.288 323 T C 0.972 175.681 174.700 0.014 0.000 1.033 323 T CA -0.901 61.199 62.100 0.001 0.000 1.033 323 T CB 1.733 70.611 68.868 0.017 0.000 1.079 323 T HN 0.205 nan 8.240 nan 0.000 0.496 324 V N 1.318 121.242 119.914 0.017 0.000 2.324 324 V HA -0.216 3.903 4.120 -0.000 0.000 0.250 324 V C 2.940 179.049 176.094 0.025 0.000 1.060 324 V CA 2.415 64.728 62.300 0.020 0.000 1.042 324 V CB -1.198 30.639 31.823 0.023 0.000 0.650 324 V HN 1.011 nan 8.190 nan 0.000 0.450 325 Q N 0.585 120.404 119.800 0.031 0.000 1.967 325 Q HA -0.266 4.074 4.340 -0.000 0.000 0.210 325 Q C 2.244 178.265 176.000 0.035 0.000 1.005 325 Q CA 2.329 58.154 55.803 0.037 0.000 0.862 325 Q CB -0.533 28.226 28.738 0.036 0.000 0.939 325 Q HN 0.563 nan 8.270 nan 0.000 0.417 326 E N -0.670 119.550 120.200 0.033 0.000 2.160 326 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 326 E C 2.023 178.631 176.600 0.014 0.000 0.991 326 E CA 1.208 57.627 56.400 0.032 0.000 0.810 326 E CB -0.086 29.641 29.700 0.045 0.000 0.742 326 E HN 0.314 nan 8.360 nan 0.000 0.466 327 V N 1.182 121.100 119.914 0.006 0.000 2.270 327 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 327 V C 2.579 178.640 176.094 -0.055 0.000 1.043 327 V CA 1.262 63.544 62.300 -0.031 0.000 1.014 327 V CB -0.512 31.304 31.823 -0.012 0.000 0.645 327 V HN 0.205 nan 8.190 nan 0.000 0.447 328 L N 0.197 121.415 121.223 -0.010 0.000 2.012 328 L HA -0.229 4.110 4.340 -0.000 0.000 0.210 328 L C 2.557 179.467 176.870 0.067 0.000 1.073 328 L CA 1.750 56.610 54.840 0.034 0.000 0.748 328 L CB -0.791 41.323 42.059 0.092 0.000 0.891 328 L HN 0.380 nan 8.230 nan 0.000 0.431 329 N N 0.132 118.863 118.700 0.053 0.000 2.061 329 N HA -0.203 4.536 4.740 -0.000 0.000 0.193 329 N C 1.890 177.425 175.510 0.041 0.000 1.030 329 N CA 1.518 54.601 53.050 0.055 0.000 0.856 329 N CB -0.239 38.272 38.487 0.040 0.000 1.023 329 N HN 0.327 nan 8.380 nan 0.000 0.424 330 R N 0.043 120.543 120.500 0.000 0.000 2.062 330 R HA 0.055 4.395 4.340 -0.000 0.000 0.229 330 R C 2.165 178.445 176.300 -0.034 0.000 1.128 330 R CA 0.823 56.906 56.100 -0.028 0.000 0.960 330 R CB -0.522 29.737 30.300 -0.069 0.000 0.855 330 R HN 0.046 nan 8.270 nan 0.000 0.432 331 V N 1.678 121.547 119.914 -0.076 0.000 2.392 331 V HA -0.272 3.847 4.120 -0.000 0.000 0.249 331 V C 2.500 178.711 176.094 0.195 0.000 1.059 331 V CA 1.893 64.175 62.300 -0.030 0.000 1.051 331 V CB -0.882 30.820 31.823 -0.202 0.000 0.658 331 V HN 0.384 nan 8.190 nan 0.000 0.455 332 A N 1.343 124.285 122.820 0.204 0.000 1.837 332 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 332 A C 2.518 180.216 177.584 0.191 0.000 1.210 332 A CA 2.741 54.943 52.037 0.274 0.000 0.632 332 A CB -1.297 17.821 19.000 0.196 0.000 0.843 332 A HN 0.734 nan 8.150 nan 0.000 0.448 333 S N -0.661 115.101 115.700 0.104 0.000 2.520 333 S HA -0.177 4.293 4.470 -0.000 0.000 0.249 333 S C 1.690 176.304 174.600 0.024 0.000 0.983 333 S CA 1.523 59.758 58.200 0.058 0.000 0.958 333 S CB -0.407 62.813 63.200 0.033 0.000 0.750 333 S HN 0.593 nan 8.310 nan 0.000 0.527 334 R N 0.292 120.806 120.500 0.024 0.000 2.254 334 R HA 0.145 4.485 4.340 -0.000 0.000 0.195 334 R C 0.263 176.342 176.300 -0.369 0.000 0.957 334 R CA 0.447 56.462 56.100 -0.141 0.000 1.024 334 R CB 0.195 30.419 30.300 -0.127 0.000 0.952 334 R HN 0.563 nan 8.270 nan 0.000 0.484 335 H N -0.481 118.668 119.070 0.132 0.000 2.901 335 H HA 0.156 4.712 4.556 -0.000 0.000 0.227 335 H C -2.096 173.305 175.328 0.121 0.000 1.390 335 H CA -1.435 54.706 56.048 0.153 0.000 1.120 335 H CB 1.345 31.265 29.762 0.263 0.000 2.131 335 H HN 0.141 nan 8.280 nan 0.000 0.549 336 P HA -0.323 nan 4.420 nan 0.000 0.219 336 P C 1.812 179.157 177.300 0.076 0.000 1.159 336 P CA 2.268 65.424 63.100 0.094 0.000 0.944 336 P CB 0.124 31.857 31.700 0.055 0.000 0.792 337 S N 1.055 116.799 115.700 0.073 0.000 2.414 337 S HA -0.293 4.177 4.470 -0.000 0.000 0.238 337 S C 1.933 176.554 174.600 0.036 0.000 1.055 337 S CA 2.072 60.305 58.200 0.054 0.000 1.174 337 S CB -1.826 61.413 63.200 0.065 0.000 1.087 337 S HN 0.335 nan 8.310 nan 0.000 0.428 338 E N 1.539 121.765 120.200 0.043 0.000 2.110 338 E HA -0.083 4.266 4.350 -0.000 0.000 0.193 338 E C 2.431 178.883 176.600 -0.247 0.000 0.988 338 E CA 1.249 57.607 56.400 -0.070 0.000 0.804 338 E CB -0.389 29.292 29.700 -0.033 0.000 0.745 338 E HN 0.588 nan 8.360 nan 0.000 0.458 339 S N 1.345 116.956 115.700 -0.148 0.000 2.359 339 S HA -0.216 4.254 4.470 -0.000 0.000 0.224 339 S C 1.859 176.357 174.600 -0.171 0.000 1.035 339 S CA 1.378 59.454 58.200 -0.207 0.000 1.018 339 S CB -0.253 62.995 63.200 0.079 0.000 0.876 339 S HN 0.294 nan 8.310 nan 0.000 0.448 340 E N 0.353 120.515 120.200 -0.064 0.000 2.204 340 E HA -0.111 4.238 4.350 -0.000 0.000 0.195 340 E C 0.783 177.362 176.600 -0.035 0.000 0.990 340 E CA 0.280 56.656 56.400 -0.040 0.000 0.821 340 E CB -0.175 29.516 29.700 -0.015 0.000 0.750 340 E HN 0.487 nan 8.360 nan 0.000 0.477 341 H N 1.326 120.300 119.070 -0.160 0.000 3.167 341 H HA -0.058 4.497 4.556 -0.000 0.000 0.306 341 H C -1.868 173.353 175.328 -0.178 0.000 0.965 341 H CA -1.077 54.876 56.048 -0.159 0.000 1.408 341 H CB 0.862 30.502 29.762 -0.203 0.000 1.406 341 H HN -0.133 nan 8.280 nan 0.000 0.576 342 P HA -0.282 nan 4.420 nan 0.000 0.219 342 P C 1.930 179.196 177.300 -0.057 0.000 1.159 342 P CA 2.268 65.308 63.100 -0.100 0.000 0.944 342 P CB 0.015 31.663 31.700 -0.087 0.000 0.792 343 I N -1.649 118.942 120.570 0.035 0.000 2.617 343 I HA -0.078 4.092 4.170 -0.000 0.000 0.256 343 I C 1.909 177.880 176.117 -0.243 0.000 1.167 343 I CA 1.630 62.766 61.300 -0.274 0.000 1.469 343 I CB -0.938 36.797 38.000 -0.442 0.000 1.098 343 I HN -0.092 nan 8.210 nan 0.000 0.436 344 R N 0.611 120.986 120.500 -0.209 0.000 2.148 344 R HA -0.019 4.321 4.340 -0.000 0.000 0.227 344 R C 2.236 178.366 176.300 -0.284 0.000 1.103 344 R CA 1.322 57.187 56.100 -0.391 0.000 0.983 344 R CB -0.000 29.881 30.300 -0.698 0.000 0.874 344 R HN 0.387 nan 8.270 nan 0.000 0.451 345 V N 0.862 120.670 119.914 -0.177 0.000 2.809 345 V HA -0.164 3.956 4.120 -0.000 0.000 0.256 345 V C 2.058 178.116 176.094 -0.060 0.000 1.080 345 V CA 1.226 63.466 62.300 -0.099 0.000 1.102 345 V CB -0.295 31.482 31.823 -0.077 0.000 0.705 345 V HN 0.304 nan 8.190 nan 0.000 0.475 346 L N -1.160 119.998 121.223 -0.107 0.000 2.179 346 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 346 L C 2.490 179.449 176.870 0.150 0.000 1.096 346 L CA 1.186 55.993 54.840 -0.054 0.000 0.779 346 L CB -0.359 41.462 42.059 -0.397 0.000 0.922 346 L HN 0.286 nan 8.230 nan 0.000 0.443 347 M N -0.294 119.391 119.600 0.142 0.000 2.080 347 M HA -0.203 4.277 4.480 -0.000 0.000 0.260 347 M C 2.562 178.919 176.300 0.095 0.000 1.068 347 M CA 2.057 57.435 55.300 0.130 0.000 1.109 347 M CB -0.601 32.102 32.600 0.171 0.000 1.342 347 M HN 0.296 nan 8.290 nan 0.000 0.405 348 A N -0.215 122.696 122.820 0.153 0.000 1.933 348 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 348 A C 2.303 179.942 177.584 0.092 0.000 1.175 348 A CA 2.120 54.265 52.037 0.180 0.000 0.628 348 A CB -0.801 18.332 19.000 0.222 0.000 0.814 348 A HN 0.458 nan 8.150 nan 0.000 0.444 349 S N -0.467 115.273 115.700 0.066 0.000 2.368 349 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 349 S C 1.887 176.509 174.600 0.036 0.000 1.030 349 S CA 1.471 59.700 58.200 0.048 0.000 0.999 349 S CB -0.444 62.781 63.200 0.041 0.000 0.844 349 S HN 0.355 nan 8.310 nan 0.000 0.459 350 V N 1.976 121.905 119.914 0.026 0.000 2.358 350 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 350 V C 2.076 178.145 176.094 -0.042 0.000 1.047 350 V CA 1.367 63.654 62.300 -0.022 0.000 1.035 350 V CB -0.589 31.170 31.823 -0.106 0.000 0.658 350 V HN 0.440 nan 8.190 nan 0.000 0.452 351 I N -0.323 120.220 120.570 -0.044 0.000 2.127 351 I HA -0.272 3.898 4.170 -0.000 0.000 0.241 351 I C 2.115 178.235 176.117 0.005 0.000 1.075 351 I CA 1.809 63.088 61.300 -0.035 0.000 1.334 351 I CB -0.199 37.800 38.000 -0.002 0.000 1.040 351 I HN 0.265 nan 8.210 nan 0.000 0.405 352 L N -0.251 120.988 121.223 0.026 0.000 2.552 352 L HA -0.100 4.240 4.340 -0.000 0.000 0.227 352 L C 1.211 178.099 176.870 0.030 0.000 1.146 352 L CA 0.418 55.277 54.840 0.033 0.000 0.858 352 L CB -0.317 41.767 42.059 0.041 0.000 0.969 352 L HN 0.385 nan 8.230 nan 0.000 0.451 353 D N -0.356 120.058 120.400 0.025 0.000 2.328 353 D HA -0.200 4.440 4.640 -0.000 0.000 0.167 353 D C 1.027 177.344 176.300 0.030 0.000 1.205 353 D CA 1.383 55.399 54.000 0.027 0.000 1.128 353 D CB -0.881 39.938 40.800 0.031 0.000 1.157 353 D HN 0.406 nan 8.370 nan 0.000 0.468 354 S N 0.747 116.465 115.700 0.029 0.000 3.988 354 S HA 0.156 4.626 4.470 -0.000 0.000 0.180 354 S C 1.333 175.952 174.600 0.032 0.000 1.242 354 S CA -0.090 58.127 58.200 0.028 0.000 0.947 354 S CB 0.293 63.508 63.200 0.025 0.000 1.519 354 S HN 0.325 nan 8.310 nan 0.000 0.439 355 L N 2.712 123.957 121.223 0.038 0.000 2.121 355 L HA 0.261 4.601 4.340 -0.000 0.000 0.200 355 L C -0.662 176.238 176.870 0.050 0.000 1.077 355 L CA 0.731 55.599 54.840 0.047 0.000 0.766 355 L CB -1.063 41.030 42.059 0.057 0.000 0.931 355 L HN 0.259 nan 8.230 nan 0.000 0.452 356 P HA -0.159 nan 4.420 nan 0.000 0.216 356 P C 1.532 178.873 177.300 0.067 0.000 1.150 356 P CA 1.754 64.891 63.100 0.063 0.000 0.843 356 P CB -0.048 31.688 31.700 0.059 0.000 0.787 357 S N -0.035 115.691 115.700 0.043 0.000 2.392 357 S HA -0.106 4.364 4.470 -0.000 0.000 0.232 357 S C 2.043 176.664 174.600 0.035 0.000 1.041 357 S CA 1.642 59.855 58.200 0.023 0.000 1.026 357 S CB -1.097 62.110 63.200 0.010 0.000 0.845 357 S HN 0.078 nan 8.310 nan 0.000 0.465 358 V N 1.303 121.240 119.914 0.038 0.000 3.174 358 V HA 0.048 4.168 4.120 -0.000 0.000 0.254 358 V C 2.035 178.151 176.094 0.037 0.000 1.120 358 V CA 0.401 62.719 62.300 0.030 0.000 1.114 358 V CB -0.524 31.305 31.823 0.011 0.000 0.756 358 V HN 0.376 nan 8.190 nan 0.000 0.467 359 I N 0.487 121.086 120.570 0.050 0.000 2.076 359 I HA -0.266 3.904 4.170 -0.000 0.000 0.237 359 I C 2.552 178.706 176.117 0.062 0.000 1.059 359 I CA 2.153 63.475 61.300 0.037 0.000 1.317 359 I CB -1.342 36.683 38.000 0.042 0.000 1.037 359 I HN 0.394 nan 8.210 nan 0.000 0.398 360 H N 0.760 119.825 119.070 -0.007 0.000 2.431 360 H HA -0.168 4.388 4.556 -0.000 0.000 0.297 360 H C 2.434 177.756 175.328 -0.010 0.000 1.115 360 H CA 1.921 57.965 56.048 -0.006 0.000 1.277 360 H CB 0.116 29.878 29.762 0.000 0.000 1.372 360 H HN 0.287 nan 8.280 nan 0.000 0.516 361 S N -0.341 115.464 115.700 0.173 0.000 2.335 361 S HA -0.151 4.319 4.470 -0.000 0.000 0.216 361 S C 2.574 177.205 174.600 0.051 0.000 1.032 361 S CA 2.058 60.315 58.200 0.096 0.000 1.000 361 S CB -0.511 62.714 63.200 0.041 0.000 0.928 361 S HN 0.688 nan 8.310 nan 0.000 0.434 362 S N 0.897 116.606 115.700 0.016 0.000 2.399 362 S HA -0.047 4.423 4.470 -0.000 0.000 0.231 362 S C 1.869 176.455 174.600 -0.022 0.000 1.022 362 S CA 1.216 59.406 58.200 -0.017 0.000 0.983 362 S CB -0.984 62.191 63.200 -0.042 0.000 0.803 362 S HN 0.344 nan 8.310 nan 0.000 0.480 363 V N 2.767 122.667 119.914 -0.023 0.000 2.287 363 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 363 V C 2.723 178.794 176.094 -0.038 0.000 1.053 363 V CA 2.254 64.523 62.300 -0.050 0.000 1.027 363 V CB -0.733 31.027 31.823 -0.104 0.000 0.646 363 V HN 0.609 nan 8.190 nan 0.000 0.447 364 E N -0.715 119.479 120.200 -0.011 0.000 2.268 364 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 364 E C 2.069 178.667 176.600 -0.003 0.000 0.995 364 E CA 1.034 57.436 56.400 0.003 0.000 0.836 364 E CB -0.180 29.547 29.700 0.046 0.000 0.763 364 E HN 0.603 nan 8.360 nan 0.000 0.491 365 M N 0.923 120.517 119.600 -0.009 0.000 2.180 365 M HA -0.187 4.293 4.480 -0.000 0.000 0.260 365 M C 1.216 177.502 176.300 -0.024 0.000 1.071 365 M CA 1.648 56.937 55.300 -0.018 0.000 1.096 365 M CB -0.159 32.423 32.600 -0.030 0.000 1.276 365 M HN 0.046 nan 8.290 nan 0.000 0.426 366 L N 1.642 122.847 121.223 -0.030 0.000 2.803 366 L HA 0.110 4.450 4.340 -0.000 0.000 0.241 366 L C -0.200 176.657 176.870 -0.022 0.000 1.404 366 L CA -0.457 54.365 54.840 -0.029 0.000 1.211 366 L CB -0.839 41.200 42.059 -0.034 0.000 1.585 366 L HN 0.326 nan 8.230 nan 0.000 0.430 382 K N 0.847 120.948 120.400 -0.498 0.000 2.358 382 K HA 0.199 4.519 4.320 -0.000 0.000 0.197 382 K C -1.498 174.825 176.600 -0.461 0.000 1.025 382 K CA -0.258 55.764 56.287 -0.442 0.000 1.104 382 K CB 0.609 32.971 32.500 -0.230 0.000 0.855 382 K HN 0.089 nan 8.250 nan 0.000 0.531 383 P HA -0.177 nan 4.420 nan 0.000 0.208 383 P C 1.266 178.366 177.300 -0.333 0.000 1.200 383 P CA 1.187 64.103 63.100 -0.307 0.000 0.924 383 P CB -0.169 31.413 31.700 -0.197 0.000 0.774 384 Y N -0.340 119.824 120.300 -0.226 0.000 2.114 384 Y HA -0.168 4.382 4.550 -0.000 0.000 0.282 384 Y C 2.223 177.957 175.900 -0.277 0.000 1.165 384 Y CA 0.522 58.425 58.100 -0.328 0.000 1.148 384 Y CB -2.007 36.151 38.460 -0.503 0.000 0.972 384 Y HN -0.182 nan 8.280 nan 0.000 0.504 385 L N 0.763 121.885 121.223 -0.168 0.000 1.978 385 L HA -0.231 4.109 4.340 -0.000 0.000 0.218 385 L C 2.352 179.134 176.870 -0.147 0.000 1.075 385 L CA 1.840 56.614 54.840 -0.110 0.000 0.767 385 L CB -1.361 40.582 42.059 -0.195 0.000 0.890 385 L HN 0.451 nan 8.230 nan 0.000 0.434 386 L N -0.253 120.880 121.223 -0.150 0.000 2.081 386 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 386 L C 2.739 179.518 176.870 -0.151 0.000 1.080 386 L CA 1.994 56.771 54.840 -0.104 0.000 0.754 386 L CB -0.891 41.145 42.059 -0.038 0.000 0.893 386 L HN 0.439 nan 8.230 nan 0.000 0.433 387 R N -0.194 120.204 120.500 -0.170 0.000 2.055 387 R HA -0.124 4.216 4.340 -0.000 0.000 0.228 387 R C 2.344 178.561 176.300 -0.137 0.000 1.143 387 R CA 2.015 57.944 56.100 -0.285 0.000 0.945 387 R CB -0.489 29.709 30.300 -0.170 0.000 0.841 387 R HN 0.443 nan 8.270 nan 0.000 0.429 388 I N 1.166 121.645 120.570 -0.151 0.000 2.087 388 I HA -0.341 3.829 4.170 -0.000 0.000 0.240 388 I C 2.507 178.592 176.117 -0.054 0.000 1.054 388 I CA 1.724 62.952 61.300 -0.119 0.000 1.311 388 I CB -0.601 37.215 38.000 -0.306 0.000 1.024 388 I HN 0.041 nan 8.210 nan 0.000 0.402 389 V N 0.746 120.582 119.914 -0.130 0.000 2.317 389 V HA -0.340 3.780 4.120 -0.000 0.000 0.251 389 V C 2.442 178.507 176.094 -0.049 0.000 1.065 389 V CA 2.619 64.863 62.300 -0.092 0.000 1.049 389 V CB -1.455 30.305 31.823 -0.105 0.000 0.651 389 V HN 0.531 nan 8.190 nan 0.000 0.450 390 T N -0.555 113.935 114.554 -0.107 0.000 2.564 390 T HA -0.230 4.120 4.350 -0.000 0.000 0.259 390 T C 1.758 176.375 174.700 -0.138 0.000 1.087 390 T CA 2.123 64.119 62.100 -0.174 0.000 1.184 390 T CB -0.524 68.138 68.868 -0.344 0.000 0.864 390 T HN 0.617 nan 8.240 nan 0.000 0.403 391 H N 0.799 119.785 119.070 -0.140 0.000 2.431 391 H HA -0.044 4.512 4.556 -0.000 0.000 0.297 391 H C 2.046 177.459 175.328 0.141 0.000 1.115 391 H CA 1.226 57.226 56.048 -0.080 0.000 1.277 391 H CB -0.503 28.944 29.762 -0.525 0.000 1.372 391 H HN 0.099 nan 8.280 nan 0.000 0.516 392 L N 0.535 121.983 121.223 0.374 0.000 2.005 392 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 392 L C 2.413 179.425 176.870 0.237 0.000 1.072 392 L CA 1.862 56.975 54.840 0.456 0.000 0.744 392 L CB -1.077 41.196 42.059 0.357 0.000 0.895 392 L HN 0.247 nan 8.230 nan 0.000 0.433 393 A N 0.015 122.901 122.820 0.109 0.000 1.908 393 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 393 A C 2.187 179.778 177.584 0.012 0.000 1.181 393 A CA 1.999 54.057 52.037 0.036 0.000 0.627 393 A CB -0.825 18.155 19.000 -0.033 0.000 0.818 393 A HN 0.486 nan 8.150 nan 0.000 0.445 394 I N -0.364 120.191 120.570 -0.026 0.000 2.099 394 I HA -0.302 3.868 4.170 -0.000 0.000 0.239 394 I C 2.752 178.922 176.117 0.088 0.000 1.066 394 I CA 1.328 62.602 61.300 -0.043 0.000 1.324 394 I CB -1.790 36.183 38.000 -0.044 0.000 1.037 394 I HN 0.398 nan 8.210 nan 0.000 0.401 395 C N 0.776 120.161 119.300 0.142 0.000 2.398 395 C HA -0.193 4.267 4.460 -0.000 0.000 0.276 395 C C 3.004 178.050 174.990 0.094 0.000 1.222 395 C CA 0.736 59.823 59.018 0.114 0.000 1.746 395 C CB -1.167 26.698 27.740 0.208 0.000 2.039 395 C HN 0.423 nan 8.230 nan 0.000 0.470 396 L N 0.237 121.533 121.223 0.123 0.000 1.971 396 L HA -0.222 4.118 4.340 -0.000 0.000 0.215 396 L C 2.365 179.278 176.870 0.072 0.000 1.072 396 L CA 1.907 56.807 54.840 0.101 0.000 0.758 396 L CB -0.689 41.430 42.059 0.100 0.000 0.889 396 L HN 0.369 nan 8.230 nan 0.000 0.433 397 D N -0.420 120.024 120.400 0.073 0.000 2.310 397 D HA -0.105 4.535 4.640 -0.000 0.000 0.212 397 D C 2.199 178.549 176.300 0.083 0.000 0.965 397 D CA 0.983 55.030 54.000 0.078 0.000 0.879 397 D CB 0.153 41.008 40.800 0.092 0.000 0.921 397 D HN 0.390 nan 8.370 nan 0.000 0.510 398 I N 0.451 121.071 120.570 0.083 0.000 2.193 398 I HA -0.195 3.975 4.170 -0.000 0.000 0.240 398 I C 2.353 178.473 176.117 0.004 0.000 1.084 398 I CA 0.741 62.087 61.300 0.076 0.000 1.365 398 I CB -0.038 38.008 38.000 0.076 0.000 1.064 398 I HN -0.077 nan 8.210 nan 0.000 0.410 399 I N 0.381 120.921 120.570 -0.050 0.000 2.286 399 I HA -0.164 4.005 4.170 -0.000 0.000 0.245 399 I C 0.307 176.402 176.117 -0.036 0.000 1.104 399 I CA 1.094 62.320 61.300 -0.122 0.000 1.397 399 I CB -0.230 37.670 38.000 -0.167 0.000 1.072 399 I HN 0.231 nan 8.210 nan 0.000 0.417 400 N N 1.341 120.049 118.700 0.012 0.000 2.918 400 N HA 0.273 5.013 4.740 -0.000 0.000 0.270 400 N C -2.552 172.980 175.510 0.036 0.000 1.536 400 N CA -1.432 51.635 53.050 0.029 0.000 0.877 400 N CB 0.565 39.079 38.487 0.045 0.000 1.190 400 N HN -0.061 nan 8.380 nan 0.000 0.492 401 P HA 0.033 nan 4.420 nan 0.000 0.256 401 P C 1.009 178.333 177.300 0.039 0.000 1.173 401 P CA 1.053 64.177 63.100 0.041 0.000 0.768 401 P CB 0.364 32.084 31.700 0.033 0.000 0.758 402 G N 2.057 110.884 108.800 0.046 0.000 2.284 402 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.201 402 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.201 402 G C 1.507 176.434 174.900 0.045 0.000 0.998 402 G CA 0.310 45.435 45.100 0.042 0.000 0.651 402 G HN 0.404 nan 8.290 nan 0.000 0.489 403 S N -0.211 115.517 115.700 0.047 0.000 2.456 403 S HA -0.078 4.392 4.470 -0.000 0.000 0.232 403 S C 1.420 176.052 174.600 0.052 0.000 1.046 403 S CA 1.729 59.959 58.200 0.050 0.000 1.175 403 S CB -0.463 62.771 63.200 0.056 0.000 1.129 403 S HN 1.157 nan 8.310 nan 0.000 0.420 404 V N 1.638 121.581 119.914 0.048 0.000 2.785 404 V HA 0.330 4.450 4.120 -0.000 0.000 0.300 404 V C 0.272 176.389 176.094 0.038 0.000 1.062 404 V CA -0.783 61.542 62.300 0.042 0.000 1.029 404 V CB 1.087 32.923 31.823 0.022 0.000 1.024 404 V HN 0.380 nan 8.190 nan 0.000 0.477 405 E N 1.700 121.923 120.200 0.038 0.000 2.366 405 E HA 0.025 4.375 4.350 -0.000 0.000 0.266 405 E C 0.872 177.479 176.600 0.011 0.000 1.015 405 E CA 0.011 56.430 56.400 0.032 0.000 0.906 405 E CB 0.541 30.262 29.700 0.035 0.000 0.979 405 E HN 0.734 nan 8.360 nan 0.000 0.443 406 E N 2.436 122.652 120.200 0.026 0.000 2.187 406 E HA -0.257 4.093 4.350 -0.000 0.000 0.199 406 E C 1.748 178.355 176.600 0.012 0.000 1.004 406 E CA 1.274 57.692 56.400 0.030 0.000 0.813 406 E CB 0.061 29.787 29.700 0.043 0.000 0.736 406 E HN 0.438 nan 8.360 nan 0.000 0.468 407 V N 1.974 121.886 119.914 -0.004 0.000 2.233 407 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 407 V C 1.860 177.925 176.094 -0.048 0.000 1.050 407 V CA 2.138 64.424 62.300 -0.024 0.000 1.010 407 V CB -0.473 31.326 31.823 -0.041 0.000 0.637 407 V HN 0.231 nan 8.190 nan 0.000 0.444 408 D N -0.050 120.303 120.400 -0.079 0.000 2.178 408 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 408 D C 2.156 178.414 176.300 -0.071 0.000 0.980 408 D CA 1.114 55.056 54.000 -0.098 0.000 0.842 408 D CB -0.132 40.591 40.800 -0.127 0.000 0.948 408 D HN 0.535 nan 8.370 nan 0.000 0.472 409 K N 0.909 121.272 120.400 -0.061 0.000 1.985 409 K HA -0.089 4.230 4.320 -0.000 0.000 0.210 409 K C 2.410 178.967 176.600 -0.072 0.000 1.047 409 K CA 1.177 57.406 56.287 -0.097 0.000 0.932 409 K CB -0.226 32.215 32.500 -0.097 0.000 0.716 409 K HN -0.065 nan 8.250 nan 0.000 0.439 410 S N 1.753 117.440 115.700 -0.021 0.000 2.392 410 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 410 S C 1.809 176.411 174.600 0.002 0.000 1.041 410 S CA 1.559 59.767 58.200 0.013 0.000 1.100 410 S CB -0.396 62.818 63.200 0.024 0.000 1.029 410 S HN 0.262 nan 8.310 nan 0.000 0.424 411 K N 0.723 121.114 120.400 -0.016 0.000 2.144 411 K HA -0.181 4.138 4.320 -0.000 0.000 0.209 411 K C 2.079 178.672 176.600 -0.011 0.000 1.047 411 K CA 1.396 57.672 56.287 -0.019 0.000 0.927 411 K CB -0.527 31.945 32.500 -0.046 0.000 0.716 411 K HN 0.333 nan 8.250 nan 0.000 0.454 412 L N 0.361 121.571 121.223 -0.022 0.000 2.022 412 L HA -0.120 4.220 4.340 -0.000 0.000 0.204 412 L C 2.374 179.273 176.870 0.048 0.000 1.076 412 L CA 0.876 55.709 54.840 -0.011 0.000 0.749 412 L CB -0.414 41.612 42.059 -0.055 0.000 0.903 412 L HN 0.118 nan 8.230 nan 0.000 0.439 413 I N -0.447 120.145 120.570 0.037 0.000 2.185 413 I HA -0.354 3.815 4.170 -0.000 0.000 0.246 413 I C 2.485 178.681 176.117 0.131 0.000 1.088 413 I CA 1.582 62.962 61.300 0.134 0.000 1.347 413 I CB -0.999 37.060 38.000 0.098 0.000 1.041 413 I HN 0.338 nan 8.210 nan 0.000 0.415 414 T N 0.678 115.277 114.554 0.076 0.000 2.516 414 T HA -0.233 4.117 4.350 -0.000 0.000 0.261 414 T C 1.867 176.593 174.700 0.044 0.000 1.130 414 T CA 2.621 64.751 62.100 0.051 0.000 1.193 414 T CB -0.630 68.258 68.868 0.033 0.000 0.864 414 T HN 0.429 nan 8.240 nan 0.000 0.410 415 T N 0.497 115.081 114.554 0.050 0.000 2.897 415 T HA -0.108 4.242 4.350 -0.000 0.000 0.271 415 T C 1.557 176.319 174.700 0.103 0.000 1.084 415 T CA 1.105 63.237 62.100 0.052 0.000 1.123 415 T CB -0.355 68.537 68.868 0.041 0.000 0.865 415 T HN 0.421 nan 8.240 nan 0.000 0.496 416 Y N 1.323 121.610 120.300 -0.021 0.000 2.231 416 Y HA 0.216 4.766 4.550 -0.000 0.000 0.294 416 Y C 1.944 177.791 175.900 -0.089 0.000 1.120 416 Y CA -0.224 57.862 58.100 -0.023 0.000 1.141 416 Y CB -0.527 37.936 38.460 0.005 0.000 1.022 416 Y HN 0.125 nan 8.280 nan 0.000 0.523 417 I N 0.202 120.659 120.570 -0.188 0.000 2.248 417 I HA -0.360 3.809 4.170 -0.000 0.000 0.248 417 I C 2.525 178.484 176.117 -0.263 0.000 1.107 417 I CA 1.926 63.038 61.300 -0.313 0.000 1.373 417 I CB -0.635 37.299 38.000 -0.110 0.000 1.055 417 I HN 0.353 nan 8.210 nan 0.000 0.418 418 S N 0.697 116.310 115.700 -0.144 0.000 2.474 418 S HA -0.064 4.406 4.470 -0.000 0.000 0.235 418 S C 1.803 176.306 174.600 -0.162 0.000 0.997 418 S CA 0.755 58.886 58.200 -0.115 0.000 0.949 418 S CB -0.441 62.730 63.200 -0.050 0.000 0.766 418 S HN 0.475 nan 8.310 nan 0.000 0.517 419 L N 0.087 121.192 121.223 -0.197 0.000 2.529 419 L HA 0.306 4.646 4.340 -0.000 0.000 0.223 419 L C 2.044 178.688 176.870 -0.376 0.000 1.113 419 L CA 0.216 54.940 54.840 -0.193 0.000 0.861 419 L CB -0.215 41.834 42.059 -0.018 0.000 1.012 419 L HN 0.319 nan 8.230 nan 0.000 0.461 420 L N -0.534 120.380 121.223 -0.515 0.000 2.240 420 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 420 L C 2.384 178.882 176.870 -0.620 0.000 1.106 420 L CA 0.978 55.455 54.840 -0.605 0.000 0.793 420 L CB -0.210 41.457 42.059 -0.653 0.000 0.927 420 L HN 0.205 nan 8.230 nan 0.000 0.446 421 K N 0.514 120.578 120.400 -0.559 0.000 1.980 421 K HA -0.061 4.259 4.320 -0.000 0.000 0.208 421 K C 1.888 178.161 176.600 -0.545 0.000 1.043 421 K CA 1.014 56.867 56.287 -0.723 0.000 0.938 421 K CB -0.313 32.020 32.500 -0.278 0.000 0.724 421 K HN 0.140 nan 8.250 nan 0.000 0.438 422 L N 1.475 122.516 121.223 -0.304 0.000 2.556 422 L HA -0.180 4.159 4.340 -0.000 0.000 0.230 422 L C 1.785 178.512 176.870 -0.238 0.000 1.163 422 L CA 0.747 55.468 54.840 -0.198 0.000 0.819 422 L CB -0.304 41.676 42.059 -0.132 0.000 0.939 422 L HN 0.234 nan 8.230 nan 0.000 0.452 423 Q N -0.188 119.389 119.800 -0.371 0.000 2.179 423 Q HA 0.172 4.512 4.340 -0.000 0.000 0.213 423 Q C 1.286 177.060 176.000 -0.376 0.000 0.833 423 Q CA 0.535 56.099 55.803 -0.398 0.000 0.990 423 Q CB 1.110 29.474 28.738 -0.623 0.000 1.132 423 Q HN 0.463 nan 8.270 nan 0.000 0.493 424 G N 1.632 110.185 108.800 -0.411 0.000 2.296 424 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.282 424 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.282 424 G C 0.278 175.027 174.900 -0.253 0.000 1.014 424 G CA 0.448 45.376 45.100 -0.288 0.000 0.812 424 G HN 0.387 nan 8.290 nan 0.000 0.508 425 L N -0.299 120.670 121.223 -0.424 0.000 2.960 425 L HA 0.320 4.660 4.340 -0.000 0.000 0.274 425 L C 1.240 177.993 176.870 -0.194 0.000 1.327 425 L CA -0.879 53.833 54.840 -0.213 0.000 0.860 425 L CB 0.049 41.993 42.059 -0.192 0.000 1.239 425 L HN 0.216 nan 8.230 nan 0.000 0.551 426 Y N -0.702 119.545 120.300 -0.088 0.000 2.483 426 Y HA -0.178 4.372 4.550 -0.000 0.000 0.291 426 Y C 2.076 177.953 175.900 -0.037 0.000 1.143 426 Y CA 0.367 58.423 58.100 -0.074 0.000 1.289 426 Y CB -0.514 37.912 38.460 -0.058 0.000 0.983 426 Y HN 0.387 nan 8.280 nan 0.000 0.556 427 E N 0.460 120.748 120.200 0.145 0.000 2.136 427 E HA -0.262 4.088 4.350 -0.000 0.000 0.208 427 E C 0.694 177.351 176.600 0.096 0.000 1.035 427 E CA 1.657 58.118 56.400 0.101 0.000 0.838 427 E CB -0.247 29.498 29.700 0.076 0.000 0.748 427 E HN 0.516 nan 8.360 nan 0.000 0.459 428 N N -0.037 118.720 118.700 0.095 0.000 2.282 428 N HA 0.154 4.894 4.740 -0.000 0.000 0.240 428 N C 1.006 176.621 175.510 0.175 0.000 1.182 428 N CA 0.007 53.145 53.050 0.146 0.000 0.874 428 N CB 0.561 39.173 38.487 0.208 0.000 1.126 428 N HN 0.156 nan 8.380 nan 0.000 0.516 429 I N 0.895 121.516 120.570 0.086 0.000 2.567 429 I HA -0.123 4.047 4.170 -0.000 0.000 0.257 429 I C -0.759 175.470 176.117 0.188 0.000 1.184 429 I CA 0.980 62.315 61.300 0.058 0.000 1.451 429 I CB -1.421 36.581 38.000 0.004 0.000 1.089 429 I HN -0.049 nan 8.210 nan 0.000 0.441 430 P HA -0.150 nan 4.420 nan 0.000 0.215 430 P C 1.815 179.230 177.300 0.192 0.000 1.153 430 P CA 1.276 64.466 63.100 0.151 0.000 0.853 430 P CB 0.033 31.795 31.700 0.105 0.000 0.788 431 I N -1.810 118.908 120.570 0.246 0.000 2.113 431 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 431 I C 2.151 178.416 176.117 0.246 0.000 1.064 431 I CA 1.682 63.103 61.300 0.202 0.000 1.320 431 I CB -1.716 36.407 38.000 0.206 0.000 1.028 431 I HN -0.016 nan 8.210 nan 0.000 0.406 432 Y N 0.383 120.831 120.300 0.245 0.000 2.352 432 Y HA -0.070 4.480 4.550 -0.000 0.000 0.292 432 Y C 2.456 178.593 175.900 0.395 0.000 1.136 432 Y CA 0.870 59.184 58.100 0.357 0.000 1.227 432 Y CB -1.111 37.487 38.460 0.230 0.000 0.991 432 Y HN 0.135 nan 8.280 nan 0.000 0.545 433 A N -0.628 122.415 122.820 0.373 0.000 2.067 433 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 433 A C 2.043 179.727 177.584 0.166 0.000 1.158 433 A CA 1.589 53.778 52.037 0.254 0.000 0.661 433 A CB -1.147 17.945 19.000 0.153 0.000 0.801 433 A HN 0.355 nan 8.150 nan 0.000 0.452 434 T N 0.048 114.597 114.554 -0.009 0.000 3.263 434 T HA -0.121 4.228 4.350 -0.000 0.000 0.269 434 T C 0.204 174.556 174.700 -0.580 0.000 1.207 434 T CA 1.005 62.897 62.100 -0.346 0.000 1.037 434 T CB -0.810 67.724 68.868 -0.557 0.000 0.864 434 T HN 0.504 nan 8.240 nan 0.000 0.587 435 F N 0.550 120.529 119.950 0.048 0.000 2.668 435 F HA 0.561 5.088 4.527 -0.000 0.000 0.301 435 F C 0.582 176.403 175.800 0.034 0.000 1.106 435 F CA -0.536 57.488 58.000 0.040 0.000 1.289 435 F CB 0.013 39.041 39.000 0.047 0.000 1.006 435 F HN -0.020 nan 8.300 nan 0.000 0.535 436 L N 0.000 121.300 121.223 0.129 0.000 2.949 436 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 436 L CA 0.000 54.892 54.840 0.086 0.000 0.813 436 L CB 0.000 42.114 42.059 0.092 0.000 0.961 436 L HN 0.000 nan 8.230 nan 0.000 0.502