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 3b8g_1_A DATA FIRST_RESID 5 DATA SEQUENCE DSFVAHFREA APYIRQMRGT TLVAGIDGRL LEGGTLNKLA ADIGLLSQLG DATA SEQUENCE IRLVLIHGAY HFLDRLAAAQ GRTPHYCRGL RVTDETSLGQ AQQFAGTVRS DATA SEQUENCE RFEAALCGSX XXXXXXXSVP LVSGNFLTAR PIGVIDGTDM EYAGVIRKTD DATA SEQUENCE TAALRFQLDA GNIVWMPPLG HSYGGKTFNL DMVQAAASVA VSLQAEKLVY DATA SEQUENCE LTLSDGISRP DGTLAETLSA QEAQSLAEHA ASETRRLISS AVAALEGGVH DATA SEQUENCE RVQILNGAAD GSLLQELFTR NGIGTSIAKE AFVSIRQAHS GDIPHIAALI DATA SEQUENCE RPLEEQGILL HRSREYLENH ISEFSILEHD GNLYGCAALK TFAEADCGEI DATA SEQUENCE ACLAVSPQAQ DGGYGERLLA HIIDKARGIG ISRLFALSTN TGEWFAERGF DATA SEQUENCE QTASEDELPE TRRKDYRSNG RNSHILVRRL HR 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.206 176.300 -0.157 0.000 2.045 5 D CA 0.000 53.953 54.000 -0.079 0.000 0.868 5 D CB 0.000 40.696 40.800 -0.174 0.000 0.688 6 S N 1.058 116.648 115.700 -0.183 0.000 2.603 6 S HA 0.249 4.719 4.470 -0.000 0.000 0.268 6 S C 1.474 176.022 174.600 -0.086 0.000 1.317 6 S CA -0.640 57.527 58.200 -0.055 0.000 1.012 6 S CB 0.759 63.948 63.200 -0.019 0.000 0.926 6 S HN 0.448 nan 8.310 nan 0.000 0.539 7 F N 2.231 122.161 119.950 -0.032 0.000 2.032 7 F HA -0.217 4.311 4.527 0.000 0.000 0.297 7 F C 2.240 178.043 175.800 0.005 0.000 1.125 7 F CA 2.206 60.212 58.000 0.011 0.000 1.202 7 F CB -0.944 38.016 39.000 -0.067 0.000 0.958 7 F HN 0.412 nan 8.300 nan 0.000 0.491 8 V N 0.235 120.182 119.914 0.055 0.000 2.380 8 V HA -0.357 3.763 4.120 -0.000 0.000 0.251 8 V C 2.588 178.651 176.094 -0.051 0.000 1.063 8 V CA 1.924 64.232 62.300 0.014 0.000 1.055 8 V CB -1.538 30.338 31.823 0.089 0.000 0.657 8 V HN 0.561 nan 8.190 nan 0.000 0.455 9 A N -1.545 121.209 122.820 -0.110 0.000 1.930 9 A HA -0.149 4.170 4.320 -0.000 0.000 0.215 9 A C 1.944 179.460 177.584 -0.113 0.000 1.176 9 A CA 1.425 53.388 52.037 -0.123 0.000 0.632 9 A CB -0.653 18.240 19.000 -0.179 0.000 0.819 9 A HN 0.681 nan 8.150 nan 0.000 0.445 10 H N -1.947 117.098 119.070 -0.042 0.000 2.270 10 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 10 H C 1.838 177.165 175.328 -0.002 0.000 1.077 10 H CA 1.852 57.883 56.048 -0.029 0.000 1.294 10 H CB -0.276 29.451 29.762 -0.059 0.000 1.371 10 H HN 0.510 nan 8.280 nan 0.000 0.491 11 F N 1.102 120.910 119.950 -0.236 0.000 2.111 11 F HA -0.313 4.214 4.527 -0.000 0.000 0.300 11 F C 2.553 178.276 175.800 -0.128 0.000 1.088 11 F CA 1.226 59.066 58.000 -0.266 0.000 1.243 11 F CB 0.007 38.721 39.000 -0.477 0.000 0.996 11 F HN 0.086 nan 8.300 nan 0.000 0.483 12 R N -0.288 120.245 120.500 0.055 0.000 2.148 12 R HA -0.172 4.168 4.340 -0.000 0.000 0.223 12 R C 2.076 178.381 176.300 0.008 0.000 1.088 12 R CA 1.318 57.425 56.100 0.012 0.000 0.985 12 R CB -0.399 29.909 30.300 0.015 0.000 0.880 12 R HN 0.441 nan 8.270 nan 0.000 0.451 13 E N 0.921 121.150 120.200 0.049 0.000 2.072 13 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 13 E C 1.751 178.453 176.600 0.169 0.000 0.985 13 E CA 1.148 57.614 56.400 0.109 0.000 0.801 13 E CB -0.013 29.774 29.700 0.146 0.000 0.750 13 E HN 0.315 nan 8.360 nan 0.000 0.452 14 A N 0.955 123.834 122.820 0.098 0.000 2.119 14 A HA 0.073 4.393 4.320 -0.000 0.000 0.217 14 A C 2.297 179.906 177.584 0.042 0.000 1.153 14 A CA 1.238 53.362 52.037 0.144 0.000 0.692 14 A CB -0.527 18.415 19.000 -0.096 0.000 0.799 14 A HN 0.423 nan 8.150 nan 0.000 0.458 15 A N 1.115 123.882 122.820 -0.088 0.000 1.892 15 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 15 A C 0.380 177.884 177.584 -0.133 0.000 1.188 15 A CA 1.916 53.861 52.037 -0.154 0.000 0.631 15 A CB -1.599 17.322 19.000 -0.132 0.000 0.822 15 A HN 0.496 nan 8.150 nan 0.000 0.447 16 P HA -0.163 nan 4.420 nan 0.000 0.215 16 P C 0.919 177.995 177.300 -0.372 0.000 1.153 16 P CA 1.391 64.297 63.100 -0.324 0.000 0.853 16 P CB -0.326 31.084 31.700 -0.482 0.000 0.788 17 Y N -0.604 119.729 120.300 0.056 0.000 2.314 17 Y HA -0.023 4.527 4.550 -0.000 0.000 0.293 17 Y C 2.613 178.640 175.900 0.212 0.000 1.129 17 Y CA 0.443 58.618 58.100 0.126 0.000 1.201 17 Y CB -1.241 37.333 38.460 0.190 0.000 0.999 17 Y HN -0.165 nan 8.280 nan 0.000 0.541 18 I N -0.180 120.535 120.570 0.242 0.000 2.179 18 I HA -0.320 3.850 4.170 -0.000 0.000 0.242 18 I C 2.683 178.817 176.117 0.028 0.000 1.088 18 I CA 1.322 62.675 61.300 0.088 0.000 1.357 18 I CB -0.419 37.475 38.000 -0.176 0.000 1.051 18 I HN 0.137 nan 8.210 nan 0.000 0.409 19 R N 0.743 121.221 120.500 -0.037 0.000 2.119 19 R HA -0.254 4.086 4.340 -0.000 0.000 0.246 19 R C 2.303 178.584 176.300 -0.031 0.000 1.146 19 R CA 2.024 58.094 56.100 -0.051 0.000 0.962 19 R CB -0.185 30.065 30.300 -0.084 0.000 0.863 19 R HN 0.508 nan 8.270 nan 0.000 0.442 20 Q N -1.115 118.672 119.800 -0.022 0.000 2.187 20 Q HA -0.006 4.334 4.340 -0.000 0.000 0.199 20 Q C 1.800 177.798 176.000 -0.002 0.000 0.957 20 Q CA 0.872 56.659 55.803 -0.027 0.000 0.857 20 Q CB 0.191 28.908 28.738 -0.034 0.000 0.929 20 Q HN 0.270 nan 8.270 nan 0.000 0.453 21 M N 0.271 119.906 119.600 0.059 0.000 2.561 21 M HA 0.062 4.542 4.480 -0.000 0.000 0.238 21 M C 0.566 176.892 176.300 0.044 0.000 1.131 21 M CA 0.283 55.619 55.300 0.059 0.000 1.046 21 M CB -0.063 32.629 32.600 0.153 0.000 1.532 21 M HN 0.060 nan 8.290 nan 0.000 0.497 22 R N 0.447 120.964 120.500 0.027 0.000 2.438 22 R HA 0.277 4.617 4.340 -0.000 0.000 0.287 22 R C 0.949 177.241 176.300 -0.013 0.000 1.077 22 R CA 1.035 57.141 56.100 0.009 0.000 1.034 22 R CB 0.385 30.682 30.300 -0.005 0.000 0.993 22 R HN 0.497 nan 8.270 nan 0.000 0.459 23 G N 2.570 111.362 108.800 -0.013 0.000 2.189 23 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.267 23 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.267 23 G C 0.251 175.131 174.900 -0.033 0.000 0.975 23 G CA 0.828 45.914 45.100 -0.024 0.000 0.644 23 G HN 0.638 nan 8.290 nan 0.000 0.537 24 T N 0.820 115.353 114.554 -0.034 0.000 2.918 24 T HA 0.597 4.946 4.350 -0.000 0.000 0.283 24 T C 0.349 175.023 174.700 -0.044 0.000 1.001 24 T CA 0.572 62.640 62.100 -0.052 0.000 1.041 24 T CB 1.110 69.942 68.868 -0.060 0.000 1.028 24 T HN 0.162 nan 8.240 nan 0.000 0.511 25 T N 3.093 117.615 114.554 -0.053 0.000 2.794 25 T HA 0.582 4.932 4.350 -0.000 0.000 0.280 25 T C -0.794 173.871 174.700 -0.057 0.000 0.987 25 T CA -0.489 61.581 62.100 -0.050 0.000 0.993 25 T CB 0.654 69.492 68.868 -0.049 0.000 0.939 25 T HN 0.392 nan 8.240 nan 0.000 0.449 26 L N 4.318 125.506 121.223 -0.058 0.000 2.372 26 L HA 0.652 4.992 4.340 -0.000 0.000 0.273 26 L C -1.141 175.677 176.870 -0.086 0.000 0.989 26 L CA -0.689 54.108 54.840 -0.071 0.000 0.841 26 L CB 1.113 43.139 42.059 -0.056 0.000 1.225 26 L HN 0.396 nan 8.230 nan 0.000 0.414 27 V N 4.826 124.671 119.914 -0.115 0.000 2.383 27 V HA 0.679 4.798 4.120 -0.000 0.000 0.275 27 V C 0.454 176.446 176.094 -0.170 0.000 1.036 27 V CA -0.153 62.064 62.300 -0.139 0.000 0.889 27 V CB 1.259 32.992 31.823 -0.149 0.000 0.985 27 V HN 0.851 nan 8.190 nan 0.000 0.459 28 A N 4.198 126.927 122.820 -0.152 0.000 2.287 28 A HA 0.770 5.090 4.320 -0.000 0.000 0.317 28 A C 0.364 177.859 177.584 -0.148 0.000 1.220 28 A CA -0.228 51.719 52.037 -0.149 0.000 0.835 28 A CB 1.023 19.968 19.000 -0.092 0.000 1.180 28 A HN 0.968 nan 8.150 nan 0.000 0.500 29 G N 2.246 110.970 108.800 -0.128 0.000 2.329 29 G HA2 0.551 4.511 3.960 -0.000 0.000 0.309 29 G HA3 0.551 4.511 3.960 -0.000 0.000 0.309 29 G C -0.408 174.540 174.900 0.079 0.000 1.110 29 G CA -0.355 44.743 45.100 -0.002 0.000 0.923 29 G HN 0.674 nan 8.290 nan 0.000 0.430 30 I N 2.454 123.043 120.570 0.032 0.000 2.378 30 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 30 I C -0.260 175.921 176.117 0.107 0.000 0.992 30 I CA -0.943 60.395 61.300 0.062 0.000 1.154 30 I CB 1.966 39.981 38.000 0.025 0.000 1.315 30 I HN 0.384 nan 8.210 nan 0.000 0.448 31 D N 4.614 125.082 120.400 0.112 0.000 2.443 31 D HA 0.006 4.646 4.640 -0.000 0.000 0.239 31 D C 1.100 177.505 176.300 0.174 0.000 1.136 31 D CA 0.296 54.376 54.000 0.135 0.000 0.879 31 D CB 1.960 42.806 40.800 0.076 0.000 1.195 31 D HN 0.806 nan 8.370 nan 0.000 0.443 32 G N 3.457 112.411 108.800 0.258 0.000 2.623 32 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.214 32 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.214 32 G C 1.578 176.654 174.900 0.295 0.000 1.138 32 G CA 0.019 45.320 45.100 0.335 0.000 0.794 32 G HN 0.469 nan 8.290 nan 0.000 0.535 33 R N -0.030 120.594 120.500 0.207 0.000 2.159 33 R HA 0.066 4.405 4.340 -0.000 0.000 0.237 33 R C 2.241 178.616 176.300 0.125 0.000 1.131 33 R CA 0.646 56.835 56.100 0.147 0.000 0.982 33 R CB -0.370 29.955 30.300 0.041 0.000 0.868 33 R HN 0.340 nan 8.270 nan 0.000 0.453 34 L N 0.034 121.328 121.223 0.119 0.000 2.376 34 L HA -0.037 4.303 4.340 -0.000 0.000 0.219 34 L C 1.110 178.052 176.870 0.120 0.000 1.133 34 L CA 0.567 55.470 54.840 0.106 0.000 0.816 34 L CB -0.093 42.029 42.059 0.105 0.000 0.933 34 L HN 0.194 nan 8.230 nan 0.000 0.449 35 L N -0.576 120.723 121.223 0.127 0.000 2.715 35 L HA 0.072 4.412 4.340 -0.000 0.000 0.238 35 L C 1.096 177.999 176.870 0.055 0.000 1.212 35 L CA 0.285 55.187 54.840 0.103 0.000 1.017 35 L CB -0.089 41.993 42.059 0.039 0.000 1.269 35 L HN 0.302 nan 8.230 nan 0.000 0.452 36 E N -0.855 119.389 120.200 0.074 0.000 3.590 36 E HA 0.120 4.470 4.350 -0.000 0.000 0.223 36 E C 1.336 177.971 176.600 0.058 0.000 1.195 36 E CA 0.267 56.708 56.400 0.069 0.000 1.670 36 E CB 0.231 30.004 29.700 0.122 0.000 1.578 36 E HN 0.368 nan 8.360 nan 0.000 0.763 37 G N -0.102 108.736 108.800 0.062 0.000 2.418 37 G HA2 0.077 4.037 3.960 -0.000 0.000 0.276 37 G HA3 0.077 4.037 3.960 -0.000 0.000 0.276 37 G C 0.908 175.828 174.900 0.033 0.000 1.442 37 G CA 0.242 45.370 45.100 0.047 0.000 1.066 37 G HN 0.290 nan 8.290 nan 0.000 0.553 38 G N -1.581 107.235 108.800 0.026 0.000 2.679 38 G HA2 0.003 3.963 3.960 -0.000 0.000 0.212 38 G HA3 0.003 3.963 3.960 -0.000 0.000 0.212 38 G C 1.664 176.577 174.900 0.022 0.000 1.137 38 G CA 1.599 46.710 45.100 0.018 0.000 0.787 38 G HN 0.925 nan 8.290 nan 0.000 0.534 39 T N -1.270 113.305 114.554 0.034 0.000 3.163 39 T HA 0.085 4.435 4.350 -0.000 0.000 0.260 39 T C 1.939 176.672 174.700 0.054 0.000 1.156 39 T CA 0.533 62.658 62.100 0.042 0.000 1.072 39 T CB -0.024 68.873 68.868 0.048 0.000 0.937 39 T HN 0.153 nan 8.240 nan 0.000 0.528 40 L N 0.205 121.458 121.223 0.049 0.000 2.298 40 L HA 0.234 4.574 4.340 -0.000 0.000 0.209 40 L C 1.605 178.486 176.870 0.019 0.000 1.084 40 L CA 1.157 56.038 54.840 0.068 0.000 0.816 40 L CB -0.757 41.336 42.059 0.057 0.000 0.967 40 L HN 0.162 nan 8.230 nan 0.000 0.460 41 N N 0.541 119.234 118.700 -0.012 0.000 2.216 41 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 41 N C 1.673 177.167 175.510 -0.027 0.000 1.017 41 N CA 0.866 53.887 53.050 -0.048 0.000 0.861 41 N CB -0.071 38.392 38.487 -0.040 0.000 0.986 41 N HN 0.134 nan 8.380 nan 0.000 0.428 42 K N 1.061 121.463 120.400 0.004 0.000 2.057 42 K HA -0.032 4.288 4.320 -0.000 0.000 0.207 42 K C 2.054 178.675 176.600 0.035 0.000 1.049 42 K CA 0.551 56.848 56.287 0.018 0.000 0.931 42 K CB -0.737 31.779 32.500 0.028 0.000 0.714 42 K HN 0.281 nan 8.250 nan 0.000 0.440 43 L N 0.119 121.377 121.223 0.059 0.000 2.072 43 L HA -0.014 4.325 4.340 -0.000 0.000 0.205 43 L C 2.213 179.165 176.870 0.137 0.000 1.079 43 L CA 1.647 56.554 54.840 0.111 0.000 0.752 43 L CB -0.453 41.699 42.059 0.154 0.000 0.906 43 L HN 0.075 nan 8.230 nan 0.000 0.436 44 A N 0.500 123.355 122.820 0.059 0.000 1.892 44 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 44 A C 2.516 180.058 177.584 -0.068 0.000 1.188 44 A CA 2.250 54.198 52.037 -0.149 0.000 0.631 44 A CB -1.330 17.336 19.000 -0.556 0.000 0.822 44 A HN 0.663 nan 8.150 nan 0.000 0.447 45 A N -0.187 122.603 122.820 -0.050 0.000 1.873 45 A HA -0.246 4.073 4.320 -0.000 0.000 0.218 45 A C 1.819 179.424 177.584 0.035 0.000 1.193 45 A CA 2.173 54.201 52.037 -0.015 0.000 0.629 45 A CB -0.778 18.217 19.000 -0.008 0.000 0.826 45 A HN 0.474 nan 8.150 nan 0.000 0.447 46 D N -0.305 120.132 120.400 0.062 0.000 2.144 46 D HA -0.090 4.550 4.640 -0.000 0.000 0.199 46 D C 1.780 178.149 176.300 0.114 0.000 0.984 46 D CA 1.040 55.095 54.000 0.091 0.000 0.834 46 D CB -0.302 40.556 40.800 0.096 0.000 0.955 46 D HN 0.526 nan 8.370 nan 0.000 0.465 47 I N 0.552 121.202 120.570 0.132 0.000 2.315 47 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 47 I C 2.473 178.672 176.117 0.137 0.000 1.117 47 I CA 1.003 62.403 61.300 0.167 0.000 1.404 47 I CB -0.344 37.825 38.000 0.282 0.000 1.071 47 I HN 0.017 nan 8.210 nan 0.000 0.419 48 G N 1.049 109.903 108.800 0.090 0.000 2.476 48 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 48 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 48 G C 1.726 176.665 174.900 0.064 0.000 1.164 48 G CA 0.654 45.790 45.100 0.060 0.000 0.768 48 G HN 0.312 nan 8.290 nan 0.000 0.560 49 L N 0.065 121.329 121.223 0.069 0.000 2.017 49 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 49 L C 2.982 179.899 176.870 0.077 0.000 1.073 49 L CA 0.975 55.853 54.840 0.064 0.000 0.745 49 L CB -0.270 41.832 42.059 0.072 0.000 0.894 49 L HN 0.232 nan 8.230 nan 0.000 0.432 50 L N -0.898 120.397 121.223 0.121 0.000 1.997 50 L HA -0.322 4.018 4.340 -0.000 0.000 0.216 50 L C 2.826 179.753 176.870 0.095 0.000 1.074 50 L CA 1.866 56.794 54.840 0.146 0.000 0.763 50 L CB -1.056 41.090 42.059 0.145 0.000 0.890 50 L HN 0.381 nan 8.230 nan 0.000 0.434 51 S N -0.667 115.083 115.700 0.084 0.000 2.359 51 S HA -0.261 4.209 4.470 -0.000 0.000 0.223 51 S C 2.008 176.634 174.600 0.043 0.000 1.039 51 S CA 1.511 59.749 58.200 0.062 0.000 1.042 51 S CB -0.152 63.089 63.200 0.069 0.000 0.915 51 S HN 0.393 nan 8.310 nan 0.000 0.439 52 Q N 0.706 120.530 119.800 0.040 0.000 2.181 52 Q HA 0.032 4.372 4.340 -0.000 0.000 0.205 52 Q C 1.737 177.742 176.000 0.009 0.000 0.980 52 Q CA 1.000 56.817 55.803 0.023 0.000 0.862 52 Q CB -0.601 28.151 28.738 0.024 0.000 0.905 52 Q HN 0.616 nan 8.270 nan 0.000 0.429 53 L N -0.276 120.953 121.223 0.011 0.000 2.672 53 L HA 0.170 4.510 4.340 -0.000 0.000 0.236 53 L C 0.850 177.725 176.870 0.008 0.000 1.186 53 L CA 0.208 55.039 54.840 -0.015 0.000 0.977 53 L CB -0.545 41.485 42.059 -0.048 0.000 1.203 53 L HN 0.257 nan 8.230 nan 0.000 0.448 54 G N 1.057 109.865 108.800 0.013 0.000 2.198 54 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 54 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 54 G C 0.115 175.025 174.900 0.017 0.000 1.025 54 G CA 0.001 45.106 45.100 0.009 0.000 0.769 54 G HN 0.384 nan 8.290 nan 0.000 0.507 55 I N 0.017 120.609 120.570 0.036 0.000 2.353 55 I HA 0.371 4.540 4.170 -0.000 0.000 0.293 55 I C 0.948 177.074 176.117 0.015 0.000 0.992 55 I CA -0.975 60.344 61.300 0.032 0.000 1.268 55 I CB 1.097 39.135 38.000 0.063 0.000 1.387 55 I HN 0.028 nan 8.210 nan 0.000 0.478 56 R N 6.186 126.683 120.500 -0.006 0.000 2.347 56 R HA 0.507 4.847 4.340 -0.000 0.000 0.304 56 R C -1.123 175.165 176.300 -0.019 0.000 1.072 56 R CA -0.144 55.945 56.100 -0.017 0.000 0.980 56 R CB 0.414 30.693 30.300 -0.035 0.000 0.986 56 R HN 0.469 nan 8.270 nan 0.000 0.448 57 L N 3.060 124.276 121.223 -0.011 0.000 2.362 57 L HA 0.532 4.872 4.340 -0.000 0.000 0.275 57 L C -0.866 175.985 176.870 -0.031 0.000 0.998 57 L CA -0.948 53.888 54.840 -0.007 0.000 0.820 57 L CB 2.087 44.169 42.059 0.039 0.000 1.270 57 L HN 0.310 nan 8.230 nan 0.000 0.415 58 V N 4.638 124.513 119.914 -0.065 0.000 2.588 58 V HA 0.533 4.653 4.120 -0.000 0.000 0.304 58 V C -0.372 175.646 176.094 -0.127 0.000 1.042 58 V CA -0.498 61.743 62.300 -0.098 0.000 0.877 58 V CB 2.155 33.901 31.823 -0.129 0.000 0.996 58 V HN 0.493 nan 8.190 nan 0.000 0.425 59 L N 5.858 126.976 121.223 -0.175 0.000 2.385 59 L HA 0.693 5.033 4.340 -0.000 0.000 0.273 59 L C -0.896 175.675 176.870 -0.497 0.000 0.990 59 L CA -0.458 54.206 54.840 -0.293 0.000 0.821 59 L CB 2.018 43.906 42.059 -0.285 0.000 1.279 59 L HN 0.435 nan 8.230 nan 0.000 0.412 60 I N 1.830 122.145 120.570 -0.425 0.000 2.582 60 I HA 0.404 4.574 4.170 -0.000 0.000 0.292 60 I C -0.853 175.065 176.117 -0.332 0.000 1.066 60 I CA -0.677 60.361 61.300 -0.436 0.000 1.053 60 I CB 2.273 40.114 38.000 -0.265 0.000 1.241 60 I HN 0.711 nan 8.210 nan 0.000 0.421 61 H N 2.764 121.610 119.070 -0.372 0.000 2.771 61 H HA 0.857 5.413 4.556 -0.000 0.000 0.367 61 H C -0.331 174.963 175.328 -0.057 0.000 1.172 61 H CA -0.691 55.245 56.048 -0.186 0.000 1.186 61 H CB 1.644 31.312 29.762 -0.155 0.000 1.790 61 H HN 0.639 nan 8.280 nan 0.000 0.556 62 G N -1.056 107.876 108.800 0.220 0.000 2.613 62 G HA2 0.524 4.484 3.960 -0.000 0.000 0.303 62 G HA3 0.524 4.484 3.960 -0.000 0.000 0.303 62 G C -0.143 174.977 174.900 0.366 0.000 1.312 62 G CA -0.669 44.491 45.100 0.099 0.000 1.036 62 G HN 1.079 nan 8.290 nan 0.000 0.513 63 A N -2.230 120.676 122.820 0.143 0.000 2.644 63 A HA 0.328 4.648 4.320 -0.000 0.000 0.193 63 A C 1.425 179.079 177.584 0.117 0.000 1.464 63 A CA 0.063 52.152 52.037 0.087 0.000 1.095 63 A CB -0.101 18.995 19.000 0.160 0.000 1.405 63 A HN 0.447 nan 8.150 nan 0.000 0.558 64 Y N 1.262 121.559 120.300 -0.005 0.000 2.081 64 Y HA -0.243 4.307 4.550 -0.000 0.000 0.280 64 Y C 2.482 178.289 175.900 -0.156 0.000 1.163 64 Y CA 1.577 59.623 58.100 -0.090 0.000 1.135 64 Y CB -0.974 37.427 38.460 -0.098 0.000 0.970 64 Y HN 0.518 nan 8.280 nan 0.000 0.498 65 H N -2.196 117.002 119.070 0.213 0.000 2.491 65 H HA -0.127 4.429 4.556 -0.000 0.000 0.290 65 H C 2.126 177.492 175.328 0.063 0.000 1.050 65 H CA 1.283 57.406 56.048 0.123 0.000 1.309 65 H CB -0.530 29.303 29.762 0.119 0.000 1.392 65 H HN 0.368 nan 8.280 nan 0.000 0.554 66 F N 1.635 121.527 119.950 -0.097 0.000 2.179 66 F HA -0.044 4.483 4.527 -0.000 0.000 0.292 66 F C 2.206 177.898 175.800 -0.179 0.000 1.089 66 F CA 0.499 58.354 58.000 -0.241 0.000 1.295 66 F CB -0.621 37.846 39.000 -0.887 0.000 1.041 66 F HN -0.090 nan 8.300 nan 0.000 0.487 67 L N 0.511 121.593 121.223 -0.235 0.000 1.978 67 L HA -0.327 4.013 4.340 -0.000 0.000 0.218 67 L C 2.243 178.934 176.870 -0.298 0.000 1.075 67 L CA 1.987 56.656 54.840 -0.284 0.000 0.767 67 L CB -1.115 40.900 42.059 -0.073 0.000 0.890 67 L HN 0.146 nan 8.230 nan 0.000 0.434 68 D N -0.519 119.785 120.400 -0.161 0.000 2.123 68 D HA -0.202 4.438 4.640 -0.000 0.000 0.196 68 D C 2.196 178.413 176.300 -0.138 0.000 0.992 68 D CA 1.027 54.961 54.000 -0.111 0.000 0.833 68 D CB -0.359 40.425 40.800 -0.026 0.000 0.954 68 D HN 0.202 nan 8.370 nan 0.000 0.455 69 R N 0.090 120.492 120.500 -0.163 0.000 2.159 69 R HA -0.065 4.275 4.340 -0.000 0.000 0.237 69 R C 2.179 178.347 176.300 -0.219 0.000 1.131 69 R CA 0.623 56.634 56.100 -0.148 0.000 0.982 69 R CB -0.224 30.017 30.300 -0.099 0.000 0.868 69 R HN 0.255 nan 8.270 nan 0.000 0.453 70 L N -0.708 120.296 121.223 -0.365 0.000 2.202 70 L HA 0.053 4.393 4.340 -0.000 0.000 0.205 70 L C 2.170 178.928 176.870 -0.187 0.000 1.083 70 L CA 0.730 55.378 54.840 -0.320 0.000 0.790 70 L CB -0.190 41.576 42.059 -0.489 0.000 0.942 70 L HN 0.211 nan 8.230 nan 0.000 0.452 71 A N 0.141 122.855 122.820 -0.176 0.000 1.822 71 A HA -0.152 4.168 4.320 -0.000 0.000 0.214 71 A C 2.412 179.944 177.584 -0.086 0.000 1.245 71 A CA 1.585 53.553 52.037 -0.115 0.000 0.608 71 A CB -1.273 17.660 19.000 -0.111 0.000 0.896 71 A HN 0.405 nan 8.150 nan 0.000 0.457 72 A N -0.398 122.375 122.820 -0.077 0.000 1.969 72 A HA -0.098 4.222 4.320 -0.000 0.000 0.223 72 A C 2.254 179.807 177.584 -0.051 0.000 1.218 72 A CA 2.951 54.954 52.037 -0.057 0.000 0.667 72 A CB -1.196 17.776 19.000 -0.047 0.000 0.826 72 A HN 1.482 nan 8.150 nan 0.000 0.472 73 A N -2.411 120.373 122.820 -0.060 0.000 2.259 73 A HA 0.263 4.583 4.320 -0.000 0.000 0.208 73 A C 1.723 179.281 177.584 -0.044 0.000 1.201 73 A CA 1.267 53.276 52.037 -0.047 0.000 0.824 73 A CB -0.180 18.792 19.000 -0.046 0.000 0.838 73 A HN 0.526 nan 8.150 nan 0.000 0.485 74 Q N -1.953 117.817 119.800 -0.049 0.000 2.350 74 Q HA 0.330 4.670 4.340 -0.000 0.000 0.225 74 Q C 1.226 177.209 176.000 -0.028 0.000 0.878 74 Q CA 1.152 56.933 55.803 -0.038 0.000 0.935 74 Q CB 0.587 29.298 28.738 -0.045 0.000 1.099 74 Q HN 0.787 nan 8.270 nan 0.000 0.527 75 G N 0.081 108.863 108.800 -0.030 0.000 2.316 75 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.203 75 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.203 75 G C -0.097 174.788 174.900 -0.025 0.000 0.999 75 G CA -0.172 44.915 45.100 -0.023 0.000 0.649 75 G HN 0.285 nan 8.290 nan 0.000 0.489 76 R N 0.856 121.336 120.500 -0.033 0.000 2.577 76 R HA 0.634 4.974 4.340 -0.000 0.000 0.269 76 R C -0.304 175.966 176.300 -0.050 0.000 1.084 76 R CA 0.349 56.428 56.100 -0.034 0.000 1.163 76 R CB 0.632 30.910 30.300 -0.037 0.000 1.100 76 R HN 0.479 nan 8.270 nan 0.000 0.547 77 T N -1.293 113.228 114.554 -0.056 0.000 2.881 77 T HA 0.360 4.710 4.350 -0.000 0.000 0.291 77 T C -2.259 172.356 174.700 -0.141 0.000 0.990 77 T CA -1.812 60.229 62.100 -0.097 0.000 0.976 77 T CB 1.616 70.419 68.868 -0.109 0.000 0.970 77 T HN 0.533 nan 8.240 nan 0.000 0.438 78 P HA 0.258 nan 4.420 nan 0.000 0.271 78 P C -0.750 176.417 177.300 -0.223 0.000 1.220 78 P CA -0.292 62.708 63.100 -0.168 0.000 0.768 78 P CB 0.478 32.100 31.700 -0.129 0.000 0.848 79 H N 2.278 121.299 119.070 -0.082 0.000 2.458 79 H HA 0.288 4.844 4.556 -0.000 0.000 0.330 79 H C -0.326 174.960 175.328 -0.070 0.000 1.111 79 H CA 0.090 56.137 56.048 -0.003 0.000 1.245 79 H CB 0.842 30.591 29.762 -0.022 0.000 1.456 79 H HN 0.393 nan 8.280 nan 0.000 0.488 80 Y N 0.283 120.584 120.300 0.002 0.000 2.457 80 Y HA 0.263 4.813 4.550 0.000 0.000 0.333 80 Y C 0.173 176.072 175.900 -0.002 0.000 1.119 80 Y CA -0.704 57.366 58.100 -0.050 0.000 1.143 80 Y CB 1.652 40.050 38.460 -0.104 0.000 1.230 80 Y HN 0.485 nan 8.280 nan 0.000 0.469 81 C N 4.537 123.917 119.300 0.132 0.000 2.383 81 C HA 0.520 4.980 4.460 -0.000 0.000 0.330 81 C C 0.654 175.684 174.990 0.066 0.000 1.168 81 C CA -0.786 58.278 59.018 0.076 0.000 1.374 81 C CB -0.870 26.887 27.740 0.029 0.000 2.014 81 C HN 0.992 nan 8.230 nan 0.000 0.439 82 R N 3.484 124.018 120.500 0.057 0.000 3.953 82 R HA -0.171 4.169 4.340 -0.000 0.000 0.340 82 R C 1.090 177.431 176.300 0.068 0.000 1.195 82 R CA 1.592 57.719 56.100 0.045 0.000 0.929 82 R CB -1.554 28.765 30.300 0.032 0.000 1.402 82 R HN 2.216 nan 8.270 nan 0.000 0.540 83 G N -1.058 107.805 108.800 0.106 0.000 2.232 83 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.226 83 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.226 83 G C 0.005 175.072 174.900 0.280 0.000 0.996 83 G CA 0.147 45.337 45.100 0.150 0.000 0.626 83 G HN 0.196 nan 8.290 nan 0.000 0.509 84 L N 1.464 122.789 121.223 0.171 0.000 2.265 84 L HA 0.513 4.853 4.340 -0.000 0.000 0.288 84 L C 0.983 177.765 176.870 -0.147 0.000 1.058 84 L CA -0.830 54.062 54.840 0.087 0.000 0.809 84 L CB 1.352 43.458 42.059 0.079 0.000 1.179 84 L HN 0.248 nan 8.230 nan 0.000 0.429 85 R N 2.964 123.153 120.500 -0.520 0.000 2.316 85 R HA 0.300 4.640 4.340 -0.000 0.000 0.314 85 R C -0.728 175.294 176.300 -0.464 0.000 1.069 85 R CA -0.570 54.938 56.100 -0.986 0.000 0.959 85 R CB 0.754 30.096 30.300 -1.597 0.000 0.987 85 R HN 0.417 nan 8.270 nan 0.000 0.446 86 V N 4.656 124.367 119.914 -0.338 0.000 2.599 86 V HA 0.042 4.162 4.120 -0.000 0.000 0.300 86 V C 0.195 176.204 176.094 -0.143 0.000 1.034 86 V CA 0.558 62.767 62.300 -0.153 0.000 1.115 86 V CB 1.250 33.022 31.823 -0.085 0.000 0.934 86 V HN 0.822 nan 8.190 nan 0.000 0.485 87 T N 4.453 118.991 114.554 -0.026 0.000 2.864 87 T HA 0.412 4.762 4.350 -0.000 0.000 0.299 87 T C -0.333 174.457 174.700 0.149 0.000 1.011 87 T CA -0.731 61.385 62.100 0.028 0.000 0.975 87 T CB 0.975 69.890 68.868 0.078 0.000 0.962 87 T HN 0.919 nan 8.240 nan 0.000 0.448 88 D N 1.172 121.630 120.400 0.096 0.000 2.478 88 D HA 0.189 4.829 4.640 -0.000 0.000 0.269 88 D C 1.223 177.561 176.300 0.065 0.000 1.232 88 D CA -0.849 53.254 54.000 0.171 0.000 1.059 88 D CB 0.719 41.569 40.800 0.082 0.000 1.104 88 D HN 0.487 nan 8.370 nan 0.000 0.566 89 E N -1.448 118.778 120.200 0.044 0.000 2.409 89 E HA -0.147 4.203 4.350 -0.000 0.000 0.198 89 E C 0.742 177.238 176.600 -0.173 0.000 1.024 89 E CA 0.945 57.206 56.400 -0.232 0.000 0.861 89 E CB -0.033 29.636 29.700 -0.052 0.000 0.788 89 E HN 0.533 nan 8.360 nan 0.000 0.521 90 T N -0.835 113.674 114.554 -0.076 0.000 3.039 90 T HA 0.038 4.388 4.350 -0.000 0.000 0.250 90 T C 1.916 176.591 174.700 -0.042 0.000 1.052 90 T CA 0.589 62.659 62.100 -0.050 0.000 1.125 90 T CB 0.141 68.995 68.868 -0.023 0.000 0.908 90 T HN 0.041 nan 8.240 nan 0.000 0.473 91 S N 2.252 117.926 115.700 -0.042 0.000 2.355 91 S HA 0.051 4.520 4.470 -0.000 0.000 0.222 91 S C 1.960 176.547 174.600 -0.022 0.000 1.031 91 S CA 0.458 58.642 58.200 -0.026 0.000 0.993 91 S CB -0.515 62.665 63.200 -0.034 0.000 0.859 91 S HN 0.262 nan 8.310 nan 0.000 0.453 92 L N 2.008 123.176 121.223 -0.091 0.000 2.081 92 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 92 L C 2.159 178.973 176.870 -0.094 0.000 1.080 92 L CA 2.106 56.862 54.840 -0.140 0.000 0.754 92 L CB -1.681 40.136 42.059 -0.403 0.000 0.893 92 L HN 0.439 nan 8.230 nan 0.000 0.433 93 G N -1.073 107.673 108.800 -0.091 0.000 2.421 93 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 93 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 93 G C 1.417 176.340 174.900 0.040 0.000 1.143 93 G CA 0.360 45.436 45.100 -0.040 0.000 0.784 93 G HN 0.520 nan 8.290 nan 0.000 0.541 94 Q N -0.050 119.795 119.800 0.075 0.000 2.269 94 Q HA 0.229 4.569 4.340 -0.000 0.000 0.201 94 Q C 2.896 179.047 176.000 0.252 0.000 0.946 94 Q CA 0.719 56.629 55.803 0.178 0.000 0.877 94 Q CB -0.034 28.817 28.738 0.189 0.000 0.963 94 Q HN 0.457 nan 8.270 nan 0.000 0.472 95 A N 1.099 124.031 122.820 0.187 0.000 1.930 95 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 95 A C 1.958 179.679 177.584 0.228 0.000 1.175 95 A CA 1.152 53.331 52.037 0.236 0.000 0.627 95 A CB -0.334 18.763 19.000 0.162 0.000 0.815 95 A HN 0.301 nan 8.150 nan 0.000 0.443 96 Q N -0.533 119.349 119.800 0.136 0.000 2.096 96 Q HA -0.265 4.075 4.340 -0.000 0.000 0.204 96 Q C 2.325 178.401 176.000 0.127 0.000 0.982 96 Q CA 1.899 57.771 55.803 0.115 0.000 0.850 96 Q CB -0.230 28.547 28.738 0.065 0.000 0.901 96 Q HN 0.774 nan 8.270 nan 0.000 0.422 97 Q N -0.102 119.780 119.800 0.137 0.000 1.967 97 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 97 Q C 1.908 177.975 176.000 0.112 0.000 0.985 97 Q CA 1.384 57.260 55.803 0.121 0.000 0.839 97 Q CB -0.305 28.517 28.738 0.140 0.000 0.906 97 Q HN 0.285 nan 8.270 nan 0.000 0.423 98 F N 1.249 121.165 119.950 -0.057 0.000 2.106 98 F HA -0.359 4.168 4.527 -0.000 0.000 0.299 98 F C 2.090 177.839 175.800 -0.086 0.000 1.082 98 F CA 1.727 59.576 58.000 -0.252 0.000 1.244 98 F CB -0.395 38.366 39.000 -0.397 0.000 0.997 98 F HN 0.076 nan 8.300 nan 0.000 0.486 99 A N -0.175 122.738 122.820 0.154 0.000 1.972 99 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 99 A C 2.451 180.065 177.584 0.049 0.000 1.169 99 A CA 1.571 53.711 52.037 0.171 0.000 0.635 99 A CB -1.714 17.466 19.000 0.301 0.000 0.810 99 A HN 0.522 nan 8.150 nan 0.000 0.446 100 G N -1.452 107.355 108.800 0.011 0.000 2.448 100 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.218 100 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.218 100 G C 1.612 176.453 174.900 -0.098 0.000 1.135 100 G CA 1.786 46.874 45.100 -0.019 0.000 0.784 100 G HN 0.607 nan 8.290 nan 0.000 0.543 101 T N -1.346 113.106 114.554 -0.171 0.000 3.010 101 T HA 0.054 4.404 4.350 -0.000 0.000 0.252 101 T C 2.338 176.870 174.700 -0.281 0.000 1.047 101 T CA 1.182 63.164 62.100 -0.195 0.000 1.140 101 T CB -0.082 68.675 68.868 -0.184 0.000 0.885 101 T HN -0.052 nan 8.240 nan 0.000 0.464 102 V N 2.026 121.672 119.914 -0.446 0.000 2.261 102 V HA -0.072 4.048 4.120 -0.000 0.000 0.246 102 V C 2.953 178.862 176.094 -0.310 0.000 1.047 102 V CA 2.359 64.392 62.300 -0.445 0.000 1.015 102 V CB -0.691 30.662 31.823 -0.783 0.000 0.642 102 V HN 0.523 nan 8.190 nan 0.000 0.446 103 R N -0.385 119.947 120.500 -0.280 0.000 2.120 103 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 103 R C 2.478 178.514 176.300 -0.441 0.000 1.123 103 R CA 1.845 57.597 56.100 -0.579 0.000 0.975 103 R CB -0.318 29.779 30.300 -0.339 0.000 0.866 103 R HN 0.502 nan 8.270 nan 0.000 0.446 104 S N -0.093 115.454 115.700 -0.254 0.000 2.395 104 S HA -0.031 4.439 4.470 -0.000 0.000 0.225 104 S C 1.906 176.408 174.600 -0.163 0.000 1.027 104 S CA 0.590 58.681 58.200 -0.182 0.000 0.965 104 S CB -0.009 63.116 63.200 -0.126 0.000 0.812 104 S HN 0.403 nan 8.310 nan 0.000 0.482 105 R N -0.530 119.874 120.500 -0.160 0.000 2.092 105 R HA 0.040 4.379 4.340 -0.000 0.000 0.231 105 R C 2.051 178.275 176.300 -0.127 0.000 1.119 105 R CA 1.649 57.673 56.100 -0.127 0.000 0.970 105 R CB -0.516 29.717 30.300 -0.112 0.000 0.864 105 R HN 0.538 nan 8.270 nan 0.000 0.440 106 F N 1.818 121.583 119.950 -0.308 0.000 2.186 106 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 106 F C 2.205 177.834 175.800 -0.286 0.000 1.090 106 F CA 1.538 59.356 58.000 -0.304 0.000 1.307 106 F CB -0.035 38.639 39.000 -0.542 0.000 1.019 106 F HN 0.002 nan 8.300 nan 0.000 0.489 107 E N 0.185 120.290 120.200 -0.160 0.000 2.038 107 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 107 E C 2.333 178.819 176.600 -0.190 0.000 1.000 107 E CA 1.297 57.600 56.400 -0.162 0.000 0.803 107 E CB -0.380 29.232 29.700 -0.147 0.000 0.750 107 E HN 0.469 nan 8.360 nan 0.000 0.448 108 A N 1.089 123.809 122.820 -0.166 0.000 1.858 108 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 108 A C 2.404 179.888 177.584 -0.167 0.000 1.190 108 A CA 1.971 53.926 52.037 -0.137 0.000 0.617 108 A CB -0.942 17.991 19.000 -0.110 0.000 0.827 108 A HN 0.411 nan 8.150 nan 0.000 0.443 109 A N -1.240 121.450 122.820 -0.217 0.000 2.076 109 A HA 0.007 4.327 4.320 -0.000 0.000 0.220 109 A C 2.035 179.435 177.584 -0.306 0.000 1.160 109 A CA 1.735 53.626 52.037 -0.243 0.000 0.653 109 A CB -0.390 18.449 19.000 -0.269 0.000 0.801 109 A HN 0.686 nan 8.150 nan 0.000 0.455 110 L N -2.129 118.866 121.223 -0.380 0.000 2.408 110 L HA 0.155 4.495 4.340 -0.000 0.000 0.215 110 L C 2.144 178.909 176.870 -0.176 0.000 1.081 110 L CA 1.315 55.952 54.840 -0.340 0.000 0.840 110 L CB -0.247 41.549 42.059 -0.438 0.000 1.002 110 L HN 0.380 nan 8.230 nan 0.000 0.468 111 C N -0.129 119.080 119.300 -0.151 0.000 2.539 111 C HA 0.315 4.775 4.460 -0.000 0.000 0.268 111 C C 1.943 176.885 174.990 -0.081 0.000 1.395 111 C CA 0.471 59.432 59.018 -0.094 0.000 1.757 111 C CB -1.596 26.095 27.740 -0.081 0.000 1.851 111 C HN 0.666 nan 8.230 nan 0.000 0.545 112 G N -0.253 108.489 108.800 -0.098 0.000 3.805 112 G HA2 0.515 4.475 3.960 -0.000 0.000 0.290 112 G HA3 0.515 4.475 3.960 -0.000 0.000 0.290 112 G C 0.004 174.862 174.900 -0.070 0.000 1.077 112 G CA 0.356 45.410 45.100 -0.077 0.000 0.852 112 G HN 0.437 nan 8.290 nan 0.000 0.531 123 V N 5.404 125.322 119.914 0.007 0.000 2.470 123 V HA 0.479 4.599 4.120 -0.000 0.000 0.276 123 V C -1.972 174.143 176.094 0.034 0.000 1.040 123 V CA -1.084 61.230 62.300 0.023 0.000 1.008 123 V CB 0.621 32.462 31.823 0.031 0.000 0.990 123 V HN 0.446 nan 8.190 nan 0.000 0.477 124 P HA 0.477 nan 4.420 nan 0.000 0.285 124 P C -1.153 176.193 177.300 0.077 0.000 1.259 124 P CA -0.533 62.596 63.100 0.048 0.000 0.794 124 P CB 1.890 33.613 31.700 0.038 0.000 0.940 125 L N 4.092 125.369 121.223 0.089 0.000 2.476 125 L HA 0.534 4.874 4.340 -0.000 0.000 0.269 125 L C -1.498 175.455 176.870 0.138 0.000 0.965 125 L CA -0.747 54.172 54.840 0.132 0.000 0.845 125 L CB 2.190 44.326 42.059 0.129 0.000 1.259 125 L HN 0.143 nan 8.230 nan 0.000 0.403 126 V N 3.870 123.895 119.914 0.186 0.000 2.588 126 V HA 0.776 4.896 4.120 -0.000 0.000 0.304 126 V C -0.488 175.796 176.094 0.317 0.000 1.042 126 V CA -0.182 62.249 62.300 0.217 0.000 0.877 126 V CB 2.280 34.225 31.823 0.203 0.000 0.996 126 V HN 0.870 nan 8.190 nan 0.000 0.425 127 S N 2.859 118.740 115.700 0.302 0.000 2.599 127 S HA 0.973 5.443 4.470 -0.000 0.000 0.294 127 S C -0.339 174.378 174.600 0.195 0.000 1.094 127 S CA 0.108 58.519 58.200 0.351 0.000 0.931 127 S CB 1.916 65.284 63.200 0.280 0.000 1.093 127 S HN 1.283 nan 8.310 nan 0.000 0.488 128 G N 1.778 110.577 108.800 -0.003 0.000 2.703 128 G HA2 0.317 4.277 3.960 -0.000 0.000 0.294 128 G HA3 0.317 4.277 3.960 -0.000 0.000 0.294 128 G C -1.383 173.041 174.900 -0.793 0.000 1.451 128 G CA -0.859 43.729 45.100 -0.854 0.000 0.869 128 G HN 0.701 nan 8.290 nan 0.000 0.516 129 N N 0.769 119.070 118.700 -0.665 0.000 3.303 129 N HA 0.137 4.877 4.740 -0.000 0.000 0.304 129 N C 0.194 175.520 175.510 -0.307 0.000 1.302 129 N CA -0.772 52.098 53.050 -0.301 0.000 1.213 129 N CB -0.190 38.216 38.487 -0.134 0.000 1.481 129 N HN 0.356 nan 8.380 nan 0.000 0.546 130 F N -0.318 119.684 119.950 0.087 0.000 2.748 130 F HA 0.210 4.737 4.527 -0.000 0.000 0.299 130 F C 0.770 176.607 175.800 0.061 0.000 1.154 130 F CA -0.018 58.023 58.000 0.067 0.000 1.446 130 F CB 0.185 39.215 39.000 0.050 0.000 1.112 130 F HN 0.086 nan 8.300 nan 0.000 0.584 131 L N 0.474 121.800 121.223 0.172 0.000 2.341 131 L HA 0.454 4.794 4.340 -0.000 0.000 0.278 131 L C 0.011 176.944 176.870 0.104 0.000 1.005 131 L CA -0.798 54.115 54.840 0.123 0.000 0.818 131 L CB 2.030 44.138 42.059 0.081 0.000 1.259 131 L HN -0.104 nan 8.230 nan 0.000 0.418 132 T N 0.178 114.770 114.554 0.064 0.000 2.786 132 T HA 0.782 5.132 4.350 -0.000 0.000 0.283 132 T C -0.253 174.421 174.700 -0.043 0.000 0.992 132 T CA -0.573 61.545 62.100 0.029 0.000 0.954 132 T CB 1.604 70.468 68.868 -0.008 0.000 0.934 132 T HN 0.653 nan 8.240 nan 0.000 0.440 133 A N 4.240 127.047 122.820 -0.022 0.000 2.282 133 A HA 0.870 5.190 4.320 -0.000 0.000 0.319 133 A C 0.419 177.843 177.584 -0.268 0.000 1.121 133 A CA -1.158 50.821 52.037 -0.096 0.000 0.836 133 A CB 0.858 19.866 19.000 0.015 0.000 1.146 133 A HN 1.097 nan 8.150 nan 0.000 0.494 134 R N 1.332 121.599 120.500 -0.388 0.000 2.803 134 R HA 0.661 5.000 4.340 -0.000 0.000 0.276 134 R C -3.147 172.702 176.300 -0.752 0.000 0.978 134 R CA -1.917 53.834 56.100 -0.581 0.000 0.939 134 R CB 1.739 31.838 30.300 -0.334 0.000 1.179 134 R HN 0.441 nan 8.270 nan 0.000 0.472 135 P HA 0.106 nan 4.420 nan 0.000 0.271 135 P C 0.581 177.725 177.300 -0.260 0.000 1.218 135 P CA -0.230 62.521 63.100 -0.582 0.000 0.780 135 P CB 0.856 32.355 31.700 -0.334 0.000 0.901 136 I N 0.586 121.077 120.570 -0.133 0.000 2.676 136 I HA -0.060 4.110 4.170 -0.000 0.000 0.259 136 I C 1.678 177.749 176.117 -0.076 0.000 1.194 136 I CA 1.722 62.970 61.300 -0.085 0.000 1.473 136 I CB -0.777 37.202 38.000 -0.035 0.000 1.096 136 I HN 0.709 nan 8.210 nan 0.000 0.443 137 G N 0.363 109.118 108.800 -0.076 0.000 2.498 137 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.251 137 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.251 137 G C -0.235 174.638 174.900 -0.045 0.000 1.170 137 G CA -0.259 44.804 45.100 -0.063 0.000 0.944 137 G HN 0.052 nan 8.290 nan 0.000 0.567 138 V N 0.887 120.777 119.914 -0.040 0.000 2.398 138 V HA 0.678 4.798 4.120 -0.000 0.000 0.286 138 V C 0.325 176.402 176.094 -0.028 0.000 1.026 138 V CA -0.350 61.930 62.300 -0.034 0.000 0.868 138 V CB 1.375 33.179 31.823 -0.033 0.000 0.982 138 V HN 0.653 nan 8.190 nan 0.000 0.443 139 I N 3.707 124.261 120.570 -0.025 0.000 2.382 139 I HA 0.431 4.601 4.170 -0.000 0.000 0.286 139 I C -0.179 175.925 176.117 -0.020 0.000 1.002 139 I CA -0.366 60.923 61.300 -0.019 0.000 1.135 139 I CB 1.429 39.422 38.000 -0.012 0.000 1.288 139 I HN 0.646 nan 8.210 nan 0.000 0.448 140 D N 5.611 125.999 120.400 -0.019 0.000 2.697 140 D HA -0.189 4.451 4.640 -0.000 0.000 0.238 140 D C 1.108 177.392 176.300 -0.027 0.000 1.152 140 D CA 1.301 55.289 54.000 -0.021 0.000 0.666 140 D CB -0.846 39.944 40.800 -0.018 0.000 1.037 140 D HN 1.170 nan 8.370 nan 0.000 0.423 141 G N -0.393 108.390 108.800 -0.027 0.000 2.166 141 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.260 141 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.260 141 G C 0.367 175.245 174.900 -0.036 0.000 0.986 141 G CA 0.879 45.961 45.100 -0.030 0.000 0.683 141 G HN 0.539 nan 8.290 nan 0.000 0.527 142 T N 0.599 115.131 114.554 -0.037 0.000 2.791 142 T HA 0.437 4.787 4.350 -0.000 0.000 0.288 142 T C -0.550 174.127 174.700 -0.038 0.000 0.999 142 T CA -0.467 61.607 62.100 -0.043 0.000 0.952 142 T CB 1.759 70.599 68.868 -0.046 0.000 0.938 142 T HN 0.171 nan 8.240 nan 0.000 0.444 143 D N 3.692 124.069 120.400 -0.039 0.000 2.389 143 D HA 0.053 4.693 4.640 -0.000 0.000 0.263 143 D C 1.010 177.288 176.300 -0.036 0.000 1.255 143 D CA -0.275 53.701 54.000 -0.039 0.000 0.914 143 D CB 0.650 41.426 40.800 -0.041 0.000 1.116 143 D HN 0.251 nan 8.370 nan 0.000 0.502 144 M N 2.358 121.939 119.600 -0.033 0.000 2.619 144 M HA -0.002 4.477 4.480 -0.000 0.000 0.251 144 M C 1.116 177.410 176.300 -0.009 0.000 1.106 144 M CA 0.555 55.841 55.300 -0.024 0.000 1.086 144 M CB -0.991 31.600 32.600 -0.015 0.000 1.465 144 M HN 0.503 nan 8.290 nan 0.000 0.506 145 E N -1.189 118.986 120.200 -0.041 0.000 3.092 145 E HA -0.353 3.996 4.350 -0.000 0.000 0.398 145 E C 0.696 177.214 176.600 -0.136 0.000 1.486 145 E CA 2.080 58.414 56.400 -0.110 0.000 1.183 145 E CB -1.550 28.134 29.700 -0.027 0.000 1.571 145 E HN 0.476 nan 8.360 nan 0.000 0.502 146 Y N 1.323 121.689 120.300 0.111 0.000 2.471 146 Y HA 0.377 4.926 4.550 -0.000 0.000 0.286 146 Y C 1.030 177.093 175.900 0.272 0.000 1.188 146 Y CA 0.289 58.499 58.100 0.184 0.000 1.286 146 Y CB 0.691 39.143 38.460 -0.012 0.000 1.072 146 Y HN 0.354 nan 8.280 nan 0.000 0.517 147 A N 1.234 124.206 122.820 0.253 0.000 2.473 147 A HA 0.431 4.751 4.320 -0.000 0.000 0.282 147 A C 1.003 178.686 177.584 0.166 0.000 1.163 147 A CA 0.419 52.570 52.037 0.189 0.000 0.827 147 A CB -0.739 18.310 19.000 0.083 0.000 1.098 147 A HN 0.388 nan 8.150 nan 0.000 0.515 148 G N 0.397 109.323 108.800 0.210 0.000 2.547 148 G HA2 0.536 4.496 3.960 -0.000 0.000 0.291 148 G HA3 0.536 4.496 3.960 -0.000 0.000 0.291 148 G C -0.521 174.377 174.900 -0.004 0.000 1.211 148 G CA -0.174 44.944 45.100 0.029 0.000 0.950 148 G HN 1.247 nan 8.290 nan 0.000 0.504 149 V N -0.217 119.651 119.914 -0.076 0.000 3.159 149 V HA 0.556 4.675 4.120 -0.000 0.000 0.308 149 V C -0.693 175.357 176.094 -0.073 0.000 1.190 149 V CA -1.054 61.216 62.300 -0.050 0.000 1.037 149 V CB 2.153 33.946 31.823 -0.050 0.000 1.060 149 V HN 0.634 nan 8.190 nan 0.000 0.437 150 I N 4.293 124.833 120.570 -0.049 0.000 2.416 150 I HA 0.424 4.594 4.170 -0.000 0.000 0.288 150 I C 1.234 177.312 176.117 -0.064 0.000 1.051 150 I CA 0.099 61.371 61.300 -0.047 0.000 1.375 150 I CB 1.122 39.107 38.000 -0.025 0.000 1.407 150 I HN 0.702 nan 8.210 nan 0.000 0.516 151 R N 5.808 126.256 120.500 -0.087 0.000 2.123 151 R HA 0.226 4.566 4.340 -0.000 0.000 0.209 151 R C 0.044 176.303 176.300 -0.068 0.000 1.078 151 R CA 0.648 56.688 56.100 -0.100 0.000 1.028 151 R CB 0.546 30.747 30.300 -0.164 0.000 0.939 151 R HN 0.533 nan 8.270 nan 0.000 0.463 152 K N 0.069 120.437 120.400 -0.053 0.000 2.477 152 K HA 0.214 4.534 4.320 -0.000 0.000 0.255 152 K C -1.429 175.188 176.600 0.028 0.000 0.952 152 K CA -0.638 55.645 56.287 -0.007 0.000 0.826 152 K CB 2.406 34.912 32.500 0.010 0.000 1.331 152 K HN 0.019 nan 8.250 nan 0.000 0.437 153 T N -0.721 113.861 114.554 0.047 0.000 2.937 153 T HA 0.132 4.482 4.350 -0.000 0.000 0.297 153 T C -1.150 173.606 174.700 0.093 0.000 0.991 153 T CA -0.801 61.342 62.100 0.072 0.000 0.990 153 T CB 1.067 69.959 68.868 0.040 0.000 0.991 153 T HN 0.457 nan 8.240 nan 0.000 0.440 154 D N 3.754 124.246 120.400 0.154 0.000 2.455 154 D HA 0.172 4.812 4.640 -0.000 0.000 0.234 154 D C 1.172 177.550 176.300 0.130 0.000 1.224 154 D CA 0.134 54.232 54.000 0.162 0.000 0.999 154 D CB 0.886 41.827 40.800 0.234 0.000 1.072 154 D HN 0.658 nan 8.370 nan 0.000 0.514 155 T N 1.926 116.525 114.554 0.074 0.000 2.777 155 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 155 T C 1.808 176.538 174.700 0.050 0.000 1.040 155 T CA 1.316 63.438 62.100 0.038 0.000 1.141 155 T CB 0.140 69.022 68.868 0.024 0.000 0.868 155 T HN 0.518 nan 8.240 nan 0.000 0.444 156 A N 1.392 124.255 122.820 0.071 0.000 1.902 156 A HA 0.153 4.473 4.320 -0.000 0.000 0.217 156 A C 2.622 180.285 177.584 0.131 0.000 1.181 156 A CA 1.834 53.922 52.037 0.084 0.000 0.623 156 A CB -1.089 17.952 19.000 0.068 0.000 0.818 156 A HN 0.496 nan 8.150 nan 0.000 0.443 157 A N -0.280 122.633 122.820 0.154 0.000 1.908 157 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 157 A C 2.206 179.917 177.584 0.211 0.000 1.181 157 A CA 1.578 53.761 52.037 0.244 0.000 0.627 157 A CB -0.592 18.637 19.000 0.381 0.000 0.818 157 A HN 0.482 nan 8.150 nan 0.000 0.445 158 L N -1.351 119.871 121.223 -0.001 0.000 2.005 158 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 158 L C 2.928 179.750 176.870 -0.081 0.000 1.072 158 L CA 1.522 56.212 54.840 -0.250 0.000 0.744 158 L CB -0.472 41.404 42.059 -0.305 0.000 0.895 158 L HN 0.371 nan 8.230 nan 0.000 0.433 159 R N -0.836 119.661 120.500 -0.004 0.000 2.091 159 R HA -0.233 4.107 4.340 -0.000 0.000 0.238 159 R C 2.260 178.582 176.300 0.036 0.000 1.136 159 R CA 1.795 57.900 56.100 0.009 0.000 0.959 159 R CB -0.546 29.770 30.300 0.027 0.000 0.856 159 R HN 0.203 nan 8.270 nan 0.000 0.437 160 F N 1.939 121.884 119.950 -0.009 0.000 2.120 160 F HA -0.291 4.236 4.527 -0.000 0.000 0.300 160 F C 2.330 178.138 175.800 0.013 0.000 1.095 160 F CA 1.654 59.663 58.000 0.014 0.000 1.249 160 F CB 0.023 39.049 39.000 0.044 0.000 0.995 160 F HN -0.029 nan 8.300 nan 0.000 0.480 161 Q N 0.285 120.082 119.800 -0.004 0.000 2.062 161 Q HA -0.035 4.305 4.340 -0.000 0.000 0.196 161 Q C 2.517 178.444 176.000 -0.122 0.000 0.967 161 Q CA 1.486 57.253 55.803 -0.060 0.000 0.832 161 Q CB -0.711 28.058 28.738 0.052 0.000 0.899 161 Q HN 0.473 nan 8.270 nan 0.000 0.442 162 L N 1.131 122.294 121.223 -0.100 0.000 2.043 162 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 162 L C 1.939 178.744 176.870 -0.108 0.000 1.075 162 L CA 1.264 56.050 54.840 -0.089 0.000 0.752 162 L CB -0.646 41.366 42.059 -0.078 0.000 0.891 162 L HN 0.102 nan 8.230 nan 0.000 0.432 163 D N 0.460 120.775 120.400 -0.142 0.000 2.158 163 D HA -0.185 4.455 4.640 -0.000 0.000 0.197 163 D C 2.118 178.307 176.300 -0.186 0.000 0.995 163 D CA 1.630 55.537 54.000 -0.155 0.000 0.846 163 D CB -0.056 40.634 40.800 -0.183 0.000 0.941 163 D HN 0.363 nan 8.370 nan 0.000 0.456 164 A N -0.699 121.961 122.820 -0.266 0.000 2.206 164 A HA 0.388 4.708 4.320 -0.000 0.000 0.211 164 A C 1.721 179.234 177.584 -0.118 0.000 1.158 164 A CA 1.144 53.045 52.037 -0.228 0.000 0.761 164 A CB -0.192 18.620 19.000 -0.313 0.000 0.801 164 A HN 0.277 nan 8.150 nan 0.000 0.473 165 G N -0.561 108.185 108.800 -0.091 0.000 2.132 165 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.228 165 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.228 165 G C -0.208 174.681 174.900 -0.019 0.000 1.000 165 G CA 0.094 45.167 45.100 -0.045 0.000 0.693 165 G HN 0.665 nan 8.290 nan 0.000 0.515 166 N N -0.393 118.295 118.700 -0.020 0.000 2.524 166 N HA 0.576 5.316 4.740 -0.000 0.000 0.283 166 N C 0.358 175.892 175.510 0.039 0.000 1.142 166 N CA -0.598 52.466 53.050 0.023 0.000 0.984 166 N CB 1.235 39.748 38.487 0.044 0.000 1.155 166 N HN 0.230 nan 8.380 nan 0.000 0.467 167 I N 1.971 122.588 120.570 0.078 0.000 2.416 167 I HA 0.074 4.244 4.170 -0.000 0.000 0.288 167 I C -0.222 175.972 176.117 0.128 0.000 1.051 167 I CA -0.582 60.780 61.300 0.102 0.000 1.375 167 I CB 0.761 38.858 38.000 0.161 0.000 1.407 167 I HN 0.177 nan 8.210 nan 0.000 0.516 168 V N 7.125 127.085 119.914 0.077 0.000 2.461 168 V HA 0.134 4.254 4.120 -0.000 0.000 0.275 168 V C -0.233 175.949 176.094 0.148 0.000 1.047 168 V CA -0.400 61.953 62.300 0.087 0.000 0.955 168 V CB 1.185 32.960 31.823 -0.081 0.000 0.988 168 V HN 0.650 nan 8.190 nan 0.000 0.471 169 W N 7.385 128.712 121.300 0.045 0.000 2.478 169 W HA 0.657 5.317 4.660 0.000 0.000 0.318 169 W C -1.038 175.528 176.519 0.077 0.000 1.062 169 W CA -0.994 56.359 57.345 0.014 0.000 1.210 169 W CB 1.715 31.177 29.460 0.003 0.000 1.325 169 W HN 0.465 nan 8.180 nan 0.000 0.496 170 M N 9.466 128.768 119.600 -0.496 0.000 2.197 170 M HA 0.271 4.751 4.480 -0.000 0.000 0.301 170 M C -2.162 173.877 176.300 -0.436 0.000 0.987 170 M CA -1.803 53.345 55.300 -0.252 0.000 0.921 170 M CB 2.876 35.374 32.600 -0.169 0.000 1.569 170 M HN 0.111 nan 8.290 nan 0.000 0.431 171 P HA 0.369 nan 4.420 nan 0.000 0.279 171 P C -2.800 174.302 177.300 -0.330 0.000 1.276 171 P CA -1.379 61.540 63.100 -0.303 0.000 0.801 171 P CB 0.220 31.938 31.700 0.031 0.000 1.127 172 P HA 0.369 nan 4.420 nan 0.000 0.209 172 P C -0.855 176.383 177.300 -0.102 0.000 1.843 172 P CA 0.113 63.068 63.100 -0.241 0.000 0.985 172 P CB -0.277 31.270 31.700 -0.255 0.000 1.904 173 L N 0.492 121.662 121.223 -0.089 0.000 2.516 173 L HA 0.641 4.980 4.340 -0.000 0.000 0.267 173 L C 0.387 177.172 176.870 -0.141 0.000 0.957 173 L CA -0.597 54.187 54.840 -0.093 0.000 0.860 173 L CB 2.523 44.528 42.059 -0.090 0.000 1.265 173 L HN 0.109 nan 8.230 nan 0.000 0.403 174 G N 0.539 109.255 108.800 -0.140 0.000 2.537 174 G HA2 0.681 4.641 3.960 -0.000 0.000 0.323 174 G HA3 0.681 4.641 3.960 -0.000 0.000 0.323 174 G C -1.188 173.527 174.900 -0.309 0.000 1.207 174 G CA -0.340 44.667 45.100 -0.155 0.000 0.976 174 G HN 0.506 nan 8.290 nan 0.000 0.487 175 H N -0.752 118.413 119.070 0.158 0.000 2.670 175 H HA 0.632 5.188 4.556 -0.000 0.000 0.361 175 H C -0.037 175.412 175.328 0.201 0.000 1.169 175 H CA -0.420 55.744 56.048 0.193 0.000 1.198 175 H CB 2.080 31.918 29.762 0.125 0.000 1.700 175 H HN 0.642 nan 8.280 nan 0.000 0.542 176 S N 0.336 116.270 115.700 0.389 0.000 2.648 176 S HA 0.281 4.751 4.470 -0.000 0.000 0.305 176 S C 0.650 175.441 174.600 0.317 0.000 1.094 176 S CA -0.862 57.485 58.200 0.245 0.000 0.983 176 S CB 0.931 64.342 63.200 0.351 0.000 1.101 176 S HN 0.678 nan 8.310 nan 0.000 0.514 177 Y N 0.150 120.523 120.300 0.122 0.000 2.574 177 Y HA 0.050 4.601 4.550 0.000 0.000 0.294 177 Y C 2.262 178.213 175.900 0.084 0.000 1.142 177 Y CA 0.069 58.219 58.100 0.085 0.000 1.314 177 Y CB -0.159 38.334 38.460 0.055 0.000 0.991 177 Y HN 0.901 nan 8.280 nan 0.000 0.555 178 G N -0.652 108.305 108.800 0.263 0.000 3.042 178 G HA2 0.274 4.234 3.960 -0.000 0.000 0.212 178 G HA3 0.274 4.234 3.960 -0.000 0.000 0.212 178 G C 1.207 176.201 174.900 0.158 0.000 1.166 178 G CA 0.329 45.538 45.100 0.183 0.000 0.767 178 G HN 0.425 nan 8.290 nan 0.000 0.546 179 G N -0.183 108.726 108.800 0.180 0.000 2.142 179 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.225 179 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.225 179 G C 0.204 175.188 174.900 0.140 0.000 1.015 179 G CA 0.058 45.239 45.100 0.135 0.000 0.716 179 G HN 0.440 nan 8.290 nan 0.000 0.508 180 K N 0.236 120.754 120.400 0.196 0.000 2.208 180 K HA 0.691 5.011 4.320 -0.000 0.000 0.247 180 K C -0.216 176.423 176.600 0.066 0.000 0.953 180 K CA -0.386 55.957 56.287 0.094 0.000 0.837 180 K CB 1.768 34.320 32.500 0.086 0.000 1.131 180 K HN 0.151 nan 8.250 nan 0.000 0.431 181 T N 1.624 116.062 114.554 -0.193 0.000 2.823 181 T HA 0.592 4.942 4.350 -0.000 0.000 0.279 181 T C -0.510 173.853 174.700 -0.562 0.000 0.998 181 T CA -0.546 61.440 62.100 -0.189 0.000 0.994 181 T CB 0.371 69.188 68.868 -0.086 0.000 0.960 181 T HN 0.214 nan 8.240 nan 0.000 0.448 182 F N 1.620 121.562 119.950 -0.013 0.000 2.556 182 F HA 0.525 5.052 4.527 -0.000 0.000 0.327 182 F C 0.510 176.314 175.800 0.007 0.000 1.059 182 F CA -1.366 56.668 58.000 0.057 0.000 0.953 182 F CB 1.528 40.560 39.000 0.053 0.000 1.227 182 F HN 0.511 nan 8.300 nan 0.000 0.478 183 N N 1.619 120.464 118.700 0.242 0.000 2.426 183 N HA 0.549 5.289 4.740 -0.000 0.000 0.275 183 N C -1.712 173.893 175.510 0.158 0.000 1.019 183 N CA -0.227 52.917 53.050 0.156 0.000 0.941 183 N CB 0.669 39.252 38.487 0.160 0.000 1.123 183 N HN 0.552 nan 8.380 nan 0.000 0.486 184 L N 1.695 122.965 121.223 0.079 0.000 2.331 184 L HA 0.370 4.710 4.340 -0.000 0.000 0.275 184 L C -0.160 176.700 176.870 -0.016 0.000 1.022 184 L CA -1.185 53.677 54.840 0.036 0.000 0.812 184 L CB 1.479 43.529 42.059 -0.015 0.000 1.257 184 L HN 0.632 nan 8.230 nan 0.000 0.435 185 D N 2.279 122.680 120.400 0.002 0.000 2.312 185 D HA 0.054 4.693 4.640 -0.000 0.000 0.252 185 D C 0.913 177.124 176.300 -0.147 0.000 1.150 185 D CA -0.259 53.687 54.000 -0.090 0.000 0.870 185 D CB 1.043 41.883 40.800 0.067 0.000 1.153 185 D HN 0.469 nan 8.370 nan 0.000 0.457 186 M N 4.300 123.741 119.600 -0.264 0.000 2.080 186 M HA -0.165 4.315 4.480 -0.000 0.000 0.260 186 M C 1.080 177.368 176.300 -0.020 0.000 1.068 186 M CA 1.665 56.879 55.300 -0.144 0.000 1.109 186 M CB -0.320 32.199 32.600 -0.135 0.000 1.342 186 M HN 0.429 nan 8.290 nan 0.000 0.405 187 V N 1.751 121.650 119.914 -0.024 0.000 2.332 187 V HA -0.300 3.819 4.120 -0.000 0.000 0.248 187 V C 2.309 178.470 176.094 0.113 0.000 1.055 187 V CA 2.390 64.710 62.300 0.033 0.000 1.038 187 V CB -0.970 30.762 31.823 -0.151 0.000 0.651 187 V HN 0.712 nan 8.190 nan 0.000 0.450 188 Q N -0.519 119.308 119.800 0.044 0.000 2.282 188 Q HA 0.315 4.655 4.340 -0.000 0.000 0.206 188 Q C 1.893 177.914 176.000 0.035 0.000 0.878 188 Q CA 0.751 56.589 55.803 0.058 0.000 0.944 188 Q CB 0.053 28.812 28.738 0.035 0.000 1.100 188 Q HN 0.485 nan 8.270 nan 0.000 0.509 189 A N 1.835 124.662 122.820 0.012 0.000 1.898 189 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 189 A C 2.386 179.960 177.584 -0.017 0.000 1.181 189 A CA 1.463 53.492 52.037 -0.014 0.000 0.620 189 A CB -0.687 18.284 19.000 -0.048 0.000 0.819 189 A HN 0.470 nan 8.150 nan 0.000 0.442 190 A N -0.285 122.536 122.820 0.002 0.000 1.933 190 A HA 0.206 4.526 4.320 -0.000 0.000 0.218 190 A C 2.410 179.961 177.584 -0.057 0.000 1.175 190 A CA 1.965 53.971 52.037 -0.051 0.000 0.628 190 A CB -0.763 18.195 19.000 -0.070 0.000 0.814 190 A HN 0.973 nan 8.150 nan 0.000 0.444 191 A N -0.947 121.881 122.820 0.014 0.000 1.975 191 A HA 0.053 4.373 4.320 -0.000 0.000 0.215 191 A C 2.416 179.993 177.584 -0.010 0.000 1.170 191 A CA 1.747 53.788 52.037 0.007 0.000 0.656 191 A CB -0.775 18.283 19.000 0.096 0.000 0.821 191 A HN 0.593 nan 8.150 nan 0.000 0.449 192 S N -0.014 115.684 115.700 -0.003 0.000 2.343 192 S HA -0.154 4.316 4.470 -0.000 0.000 0.219 192 S C 1.927 176.512 174.600 -0.025 0.000 1.033 192 S CA 1.853 60.045 58.200 -0.013 0.000 1.014 192 S CB -0.714 62.480 63.200 -0.010 0.000 0.915 192 S HN 0.337 nan 8.310 nan 0.000 0.435 193 V N 2.753 122.646 119.914 -0.034 0.000 2.313 193 V HA -0.277 3.843 4.120 -0.000 0.000 0.253 193 V C 2.975 179.035 176.094 -0.057 0.000 1.070 193 V CA 2.132 64.403 62.300 -0.048 0.000 1.057 193 V CB -1.661 30.124 31.823 -0.065 0.000 0.653 193 V HN 0.680 nan 8.190 nan 0.000 0.450 194 A N -0.720 122.060 122.820 -0.066 0.000 1.933 194 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 194 A C 2.384 179.942 177.584 -0.042 0.000 1.175 194 A CA 2.074 54.072 52.037 -0.065 0.000 0.628 194 A CB -0.567 18.384 19.000 -0.083 0.000 0.814 194 A HN 0.361 nan 8.150 nan 0.000 0.444 195 V N -0.306 119.587 119.914 -0.036 0.000 2.379 195 V HA -0.172 3.947 4.120 -0.000 0.000 0.245 195 V C 2.754 178.833 176.094 -0.025 0.000 1.044 195 V CA 2.108 64.390 62.300 -0.030 0.000 1.036 195 V CB -0.646 31.161 31.823 -0.026 0.000 0.664 195 V HN 0.567 nan 8.190 nan 0.000 0.453 196 S N 0.184 115.869 115.700 -0.024 0.000 2.374 196 S HA -0.191 4.279 4.470 -0.000 0.000 0.227 196 S C 1.787 176.376 174.600 -0.019 0.000 1.037 196 S CA 1.632 59.821 58.200 -0.018 0.000 1.024 196 S CB -0.348 62.844 63.200 -0.014 0.000 0.861 196 S HN 0.464 nan 8.310 nan 0.000 0.456 197 L N 1.036 122.243 121.223 -0.028 0.000 2.558 197 L HA 0.100 4.440 4.340 -0.000 0.000 0.225 197 L C 0.259 177.120 176.870 -0.014 0.000 1.128 197 L CA 0.144 54.967 54.840 -0.028 0.000 0.868 197 L CB -0.194 41.837 42.059 -0.046 0.000 1.006 197 L HN 0.184 nan 8.230 nan 0.000 0.454 198 Q N -0.207 119.587 119.800 -0.010 0.000 2.435 198 Q HA -0.205 4.135 4.340 -0.000 0.000 0.312 198 Q C 0.358 176.381 176.000 0.038 0.000 1.333 198 Q CA 0.876 56.685 55.803 0.009 0.000 0.883 198 Q CB -1.752 26.997 28.738 0.018 0.000 1.170 198 Q HN 0.465 nan 8.270 nan 0.000 0.443 199 A N 0.127 122.954 122.820 0.013 0.000 2.466 199 A HA 0.178 4.498 4.320 -0.000 0.000 0.238 199 A C 1.215 178.844 177.584 0.074 0.000 1.074 199 A CA 0.309 52.350 52.037 0.006 0.000 0.774 199 A CB 0.404 19.382 19.000 -0.037 0.000 1.015 199 A HN 0.307 nan 8.150 nan 0.000 0.498 200 E N 0.063 120.272 120.200 0.016 0.000 2.208 200 E HA -0.000 4.350 4.350 -0.000 0.000 0.193 200 E C 0.477 177.088 176.600 0.017 0.000 0.988 200 E CA 1.340 57.726 56.400 -0.022 0.000 0.828 200 E CB 0.125 29.669 29.700 -0.259 0.000 0.763 200 E HN 0.534 nan 8.360 nan 0.000 0.478 201 K N 0.317 120.700 120.400 -0.028 0.000 2.565 201 K HA 0.272 4.592 4.320 -0.000 0.000 0.251 201 K C -1.965 174.578 176.600 -0.096 0.000 0.956 201 K CA -0.764 55.490 56.287 -0.054 0.000 0.809 201 K CB 1.162 33.619 32.500 -0.072 0.000 1.267 201 K HN -0.066 nan 8.250 nan 0.000 0.438 202 L N 5.008 126.154 121.223 -0.130 0.000 2.296 202 L HA 0.530 4.870 4.340 -0.000 0.000 0.286 202 L C -1.549 175.155 176.870 -0.278 0.000 1.023 202 L CA -0.459 54.239 54.840 -0.237 0.000 0.812 202 L CB 1.687 43.575 42.059 -0.284 0.000 1.223 202 L HN 0.374 nan 8.230 nan 0.000 0.421 203 V N 5.847 125.582 119.914 -0.298 0.000 2.487 203 V HA 0.415 4.535 4.120 -0.000 0.000 0.298 203 V C -1.073 174.880 176.094 -0.234 0.000 1.028 203 V CA -0.583 61.589 62.300 -0.214 0.000 0.860 203 V CB 1.500 33.252 31.823 -0.118 0.000 0.991 203 V HN 0.539 nan 8.190 nan 0.000 0.427 204 Y N 4.720 125.004 120.300 -0.027 0.000 2.331 204 Y HA 0.592 5.142 4.550 -0.000 0.000 0.338 204 Y C 0.016 175.908 175.900 -0.013 0.000 0.976 204 Y CA -0.866 57.221 58.100 -0.021 0.000 1.137 204 Y CB 1.615 40.066 38.460 -0.015 0.000 1.172 204 Y HN 0.443 nan 8.280 nan 0.000 0.478 205 L N 5.127 126.442 121.223 0.154 0.000 2.283 205 L HA 0.421 4.760 4.340 -0.000 0.000 0.281 205 L C 0.458 177.377 176.870 0.082 0.000 1.033 205 L CA -0.377 54.517 54.840 0.090 0.000 0.848 205 L CB 0.589 42.690 42.059 0.069 0.000 1.226 205 L HN 0.751 nan 8.230 nan 0.000 0.429 206 T N -0.498 114.093 114.554 0.061 0.000 2.855 206 T HA 0.468 4.818 4.350 -0.000 0.000 0.275 206 T C 0.353 175.062 174.700 0.016 0.000 1.022 206 T CA -0.630 61.490 62.100 0.034 0.000 0.977 206 T CB 1.065 69.945 68.868 0.019 0.000 1.559 206 T HN 0.223 nan 8.240 nan 0.000 0.600 207 L N 0.722 121.940 121.223 -0.008 0.000 2.965 207 L HA 0.474 4.814 4.340 -0.000 0.000 0.254 207 L C -0.071 176.793 176.870 -0.010 0.000 1.220 207 L CA 0.088 54.919 54.840 -0.015 0.000 1.023 207 L CB 0.189 42.221 42.059 -0.046 0.000 1.355 207 L HN 0.614 nan 8.230 nan 0.000 0.545 208 S N -1.444 114.254 115.700 -0.003 0.000 2.541 208 S HA 0.331 4.801 4.470 -0.000 0.000 0.280 208 S C -0.530 174.072 174.600 0.003 0.000 1.112 208 S CA -0.837 57.362 58.200 -0.002 0.000 0.925 208 S CB 1.831 65.029 63.200 -0.005 0.000 1.067 208 S HN 0.061 nan 8.310 nan 0.000 0.479 209 D N 2.804 123.205 120.400 0.001 0.000 2.848 209 D HA 0.332 4.972 4.640 -0.000 0.000 0.232 209 D C 1.116 177.417 176.300 0.002 0.000 1.107 209 D CA 0.642 54.643 54.000 0.001 0.000 1.020 209 D CB -0.603 40.197 40.800 -0.001 0.000 1.148 209 D HN 0.869 nan 8.370 nan 0.000 0.453 210 G N 0.715 109.519 108.800 0.006 0.000 2.741 210 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.222 210 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.222 210 G C -0.269 174.634 174.900 0.006 0.000 1.364 210 G CA -0.822 44.283 45.100 0.009 0.000 0.866 210 G HN 0.379 nan 8.290 nan 0.000 0.555 211 I N 0.821 121.396 120.570 0.007 0.000 2.385 211 I HA 0.438 4.608 4.170 -0.000 0.000 0.294 211 I C 0.644 176.764 176.117 0.005 0.000 0.988 211 I CA -0.426 60.877 61.300 0.006 0.000 1.265 211 I CB 1.774 39.780 38.000 0.010 0.000 1.388 211 I HN 0.463 nan 8.210 nan 0.000 0.480 212 S N 5.879 121.581 115.700 0.004 0.000 2.541 212 S HA 0.498 4.968 4.470 -0.000 0.000 0.283 212 S C -0.024 174.578 174.600 0.003 0.000 1.196 212 S CA -0.863 57.338 58.200 0.003 0.000 1.062 212 S CB 1.104 64.305 63.200 0.002 0.000 1.009 212 S HN 0.475 nan 8.310 nan 0.000 0.502 213 R N 2.386 122.886 120.500 0.000 0.000 2.580 213 R HA 0.264 4.604 4.340 -0.000 0.000 0.267 213 R C -1.644 174.650 176.300 -0.010 0.000 1.125 213 R CA -1.744 54.354 56.100 -0.003 0.000 1.188 213 R CB -0.625 29.672 30.300 -0.004 0.000 1.155 213 R HN 0.331 nan 8.270 nan 0.000 0.586 214 P HA -0.217 nan 4.420 nan 0.000 0.218 214 P C -0.100 177.181 177.300 -0.031 0.000 1.147 214 P CA 1.623 64.698 63.100 -0.041 0.000 0.827 214 P CB 0.129 31.792 31.700 -0.063 0.000 0.778 215 D N -2.102 118.286 120.400 -0.020 0.000 2.879 215 D HA 0.324 4.964 4.640 -0.000 0.000 0.351 215 D C 1.142 177.437 176.300 -0.009 0.000 1.239 215 D CA 0.163 54.153 54.000 -0.015 0.000 0.771 215 D CB 0.159 40.949 40.800 -0.017 0.000 1.176 215 D HN 0.100 nan 8.370 nan 0.000 0.496 216 G N 0.982 109.778 108.800 -0.006 0.000 2.241 216 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 216 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 216 G C 0.699 175.598 174.900 -0.003 0.000 0.998 216 G CA 0.475 45.573 45.100 -0.004 0.000 0.621 216 G HN 0.526 nan 8.290 nan 0.000 0.519 217 T N -0.462 114.090 114.554 -0.004 0.000 2.907 217 T HA 0.598 4.948 4.350 -0.000 0.000 0.298 217 T C 0.483 175.182 174.700 -0.002 0.000 1.017 217 T CA -0.078 62.020 62.100 -0.003 0.000 1.118 217 T CB 2.167 71.033 68.868 -0.003 0.000 0.948 217 T HN 1.108 nan 8.240 nan 0.000 0.531 218 L N 3.146 124.368 121.223 -0.002 0.000 2.319 218 L HA 0.585 4.925 4.340 -0.000 0.000 0.280 218 L C 0.596 177.465 176.870 -0.001 0.000 1.099 218 L CA -0.801 54.038 54.840 -0.002 0.000 0.828 218 L CB 0.370 42.427 42.059 -0.003 0.000 1.150 218 L HN 0.947 nan 8.230 nan 0.000 0.442 219 A N 4.086 126.906 122.820 0.001 0.000 2.655 219 A HA 0.092 4.412 4.320 -0.000 0.000 0.297 219 A C 1.033 178.618 177.584 0.000 0.000 1.461 219 A CA -0.190 51.848 52.037 0.002 0.000 1.146 219 A CB -0.084 18.919 19.000 0.006 0.000 1.108 219 A HN 1.011 nan 8.150 nan 0.000 0.550 220 E N 1.794 121.992 120.200 -0.003 0.000 2.037 220 E HA -0.170 4.180 4.350 -0.000 0.000 0.214 220 E C 1.195 177.792 176.600 -0.005 0.000 1.041 220 E CA 2.354 58.750 56.400 -0.007 0.000 0.872 220 E CB -0.045 29.649 29.700 -0.010 0.000 0.785 220 E HN 0.767 nan 8.360 nan 0.000 0.476 221 T N -1.982 112.571 114.554 -0.000 0.000 2.876 221 T HA 0.669 5.019 4.350 -0.000 0.000 0.289 221 T C -0.508 174.198 174.700 0.010 0.000 1.014 221 T CA -0.975 61.128 62.100 0.004 0.000 0.986 221 T CB 1.183 70.054 68.868 0.004 0.000 1.021 221 T HN 0.085 nan 8.240 nan 0.000 0.458 222 L N 2.218 123.449 121.223 0.014 0.000 2.445 222 L HA 0.605 4.945 4.340 -0.000 0.000 0.262 222 L C 0.435 177.317 176.870 0.020 0.000 0.974 222 L CA -1.198 53.653 54.840 0.017 0.000 0.822 222 L CB 2.690 44.760 42.059 0.018 0.000 1.339 222 L HN 0.986 nan 8.230 nan 0.000 0.409 223 S N 0.634 116.347 115.700 0.023 0.000 2.600 223 S HA 0.383 4.853 4.470 -0.000 0.000 0.265 223 S C 1.209 175.822 174.600 0.022 0.000 1.325 223 S CA -0.034 58.180 58.200 0.024 0.000 1.002 223 S CB 1.560 64.777 63.200 0.028 0.000 0.921 223 S HN 0.760 nan 8.310 nan 0.000 0.554 224 A N 0.745 123.576 122.820 0.018 0.000 1.948 224 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 224 A C 2.305 179.901 177.584 0.020 0.000 1.177 224 A CA 2.037 54.084 52.037 0.017 0.000 0.636 224 A CB -1.193 17.813 19.000 0.009 0.000 0.815 224 A HN 0.945 nan 8.150 nan 0.000 0.449 225 Q N -0.585 119.229 119.800 0.023 0.000 2.020 225 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 225 Q C 2.007 178.023 176.000 0.027 0.000 0.982 225 Q CA 1.963 57.782 55.803 0.027 0.000 0.838 225 Q CB -0.149 28.607 28.738 0.031 0.000 0.899 225 Q HN 0.785 nan 8.270 nan 0.000 0.423 226 E N -0.227 119.989 120.200 0.026 0.000 2.077 226 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 226 E C 1.863 178.478 176.600 0.025 0.000 0.989 226 E CA 0.830 57.245 56.400 0.025 0.000 0.800 226 E CB -0.178 29.535 29.700 0.023 0.000 0.746 226 E HN 0.462 nan 8.360 nan 0.000 0.452 227 A N 1.218 124.052 122.820 0.024 0.000 1.849 227 A HA -0.346 3.973 4.320 -0.000 0.000 0.217 227 A C 2.157 179.756 177.584 0.025 0.000 1.202 227 A CA 2.007 54.058 52.037 0.023 0.000 0.629 227 A CB -0.843 18.171 19.000 0.024 0.000 0.834 227 A HN 0.155 nan 8.150 nan 0.000 0.447 228 Q N 0.378 120.192 119.800 0.024 0.000 2.124 228 Q HA -0.243 4.097 4.340 -0.000 0.000 0.215 228 Q C 2.337 178.356 176.000 0.032 0.000 1.015 228 Q CA 3.028 58.846 55.803 0.025 0.000 0.890 228 Q CB -0.687 28.065 28.738 0.024 0.000 0.966 228 Q HN 0.825 nan 8.270 nan 0.000 0.412 229 S N -1.283 114.438 115.700 0.036 0.000 2.481 229 S HA -0.005 4.465 4.470 -0.000 0.000 0.231 229 S C 1.854 176.491 174.600 0.061 0.000 0.996 229 S CA 0.633 58.861 58.200 0.048 0.000 0.942 229 S CB -0.252 62.973 63.200 0.042 0.000 0.768 229 S HN 0.412 nan 8.310 nan 0.000 0.520 230 L N 0.757 122.008 121.223 0.047 0.000 2.313 230 L HA 0.124 4.464 4.340 -0.000 0.000 0.214 230 L C 2.980 179.891 176.870 0.068 0.000 1.119 230 L CA 0.805 55.675 54.840 0.051 0.000 0.809 230 L CB -0.641 41.436 42.059 0.031 0.000 0.933 230 L HN 0.469 nan 8.230 nan 0.000 0.449 231 A N 0.688 123.540 122.820 0.053 0.000 1.930 231 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 231 A C 2.060 179.668 177.584 0.040 0.000 1.175 231 A CA 1.300 53.359 52.037 0.038 0.000 0.627 231 A CB -0.330 18.682 19.000 0.020 0.000 0.815 231 A HN 0.525 nan 8.150 nan 0.000 0.443 232 E N -0.720 119.514 120.200 0.057 0.000 2.219 232 E HA -0.232 4.117 4.350 -0.000 0.000 0.198 232 E C 0.475 177.000 176.600 -0.126 0.000 0.998 232 E CA 1.534 57.927 56.400 -0.012 0.000 0.818 232 E CB -0.337 29.378 29.700 0.025 0.000 0.741 232 E HN 0.855 nan 8.360 nan 0.000 0.477 233 H N -0.699 118.371 119.070 -0.000 0.000 2.475 233 H HA 0.506 5.063 4.556 0.001 0.000 0.276 233 H C -0.409 174.918 175.328 -0.003 0.000 1.126 233 H CA 0.051 56.099 56.048 -0.001 0.000 1.023 233 H CB 0.914 30.676 29.762 0.000 0.000 1.669 233 H HN 0.181 nan 8.280 nan 0.000 0.573 234 A N 0.398 123.262 122.820 0.074 0.000 2.344 234 A HA 0.873 5.193 4.320 -0.000 0.000 0.307 234 A C -0.447 177.146 177.584 0.016 0.000 1.151 234 A CA -0.452 51.612 52.037 0.045 0.000 0.842 234 A CB 0.765 19.786 19.000 0.034 0.000 1.350 234 A HN 0.326 nan 8.150 nan 0.000 0.459 235 A N 0.033 122.857 122.820 0.007 0.000 2.310 235 A HA 0.563 4.883 4.320 -0.000 0.000 0.299 235 A C 1.259 178.835 177.584 -0.013 0.000 1.147 235 A CA 0.314 52.348 52.037 -0.005 0.000 0.818 235 A CB -0.066 18.930 19.000 -0.006 0.000 1.096 235 A HN 1.298 nan 8.150 nan 0.000 0.495 236 S N 1.039 116.727 115.700 -0.020 0.000 2.412 236 S HA -0.365 4.105 4.470 -0.000 0.000 0.311 236 S C 1.828 176.413 174.600 -0.025 0.000 1.182 236 S CA 2.602 60.787 58.200 -0.026 0.000 1.365 236 S CB -0.722 62.454 63.200 -0.040 0.000 1.295 236 S HN 0.938 nan 8.310 nan 0.000 0.463 237 E N -0.176 120.008 120.200 -0.028 0.000 2.023 237 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 237 E C 2.430 179.008 176.600 -0.037 0.000 1.003 237 E CA 1.756 58.141 56.400 -0.025 0.000 0.809 237 E CB -0.331 29.360 29.700 -0.014 0.000 0.755 237 E HN 0.626 nan 8.360 nan 0.000 0.449 238 T N -0.683 113.854 114.554 -0.030 0.000 2.962 238 T HA -0.156 4.194 4.350 -0.000 0.000 0.270 238 T C 1.847 176.530 174.700 -0.029 0.000 1.088 238 T CA 1.323 63.403 62.100 -0.032 0.000 1.127 238 T CB -0.238 68.620 68.868 -0.016 0.000 0.883 238 T HN 0.022 nan 8.240 nan 0.000 0.493 239 R N 0.680 121.167 120.500 -0.021 0.000 2.096 239 R HA 0.139 4.478 4.340 -0.000 0.000 0.235 239 R C 2.530 178.815 176.300 -0.024 0.000 1.127 239 R CA 1.533 57.623 56.100 -0.017 0.000 0.968 239 R CB -0.438 29.854 30.300 -0.013 0.000 0.861 239 R HN 0.404 nan 8.270 nan 0.000 0.440 240 R N -0.578 119.901 120.500 -0.036 0.000 2.127 240 R HA 0.145 4.485 4.340 -0.000 0.000 0.217 240 R C 2.215 178.460 176.300 -0.091 0.000 1.074 240 R CA 0.827 56.902 56.100 -0.043 0.000 0.991 240 R CB -0.192 30.093 30.300 -0.025 0.000 0.895 240 R HN 0.197 nan 8.270 nan 0.000 0.450 241 L N 0.611 121.749 121.223 -0.142 0.000 1.997 241 L HA -0.292 4.048 4.340 -0.000 0.000 0.216 241 L C 2.259 179.069 176.870 -0.100 0.000 1.074 241 L CA 1.700 56.401 54.840 -0.233 0.000 0.763 241 L CB -0.442 41.490 42.059 -0.211 0.000 0.890 241 L HN 0.227 nan 8.230 nan 0.000 0.434 242 I N -0.527 120.015 120.570 -0.046 0.000 2.163 242 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 242 I C 2.709 178.831 176.117 0.008 0.000 1.085 242 I CA 1.719 63.016 61.300 -0.005 0.000 1.347 242 I CB -0.331 37.670 38.000 0.001 0.000 1.044 242 I HN 0.365 nan 8.210 nan 0.000 0.408 243 S N -0.420 115.280 115.700 -0.001 0.000 2.368 243 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 243 S C 2.035 176.648 174.600 0.022 0.000 1.030 243 S CA 1.476 59.681 58.200 0.008 0.000 0.999 243 S CB -0.567 62.635 63.200 0.004 0.000 0.844 243 S HN 0.319 nan 8.310 nan 0.000 0.459 244 S N 1.666 117.380 115.700 0.024 0.000 2.453 244 S HA 0.283 4.753 4.470 -0.000 0.000 0.231 244 S C 2.097 176.770 174.600 0.121 0.000 1.005 244 S CA 0.693 58.934 58.200 0.070 0.000 0.949 244 S CB -0.401 62.849 63.200 0.084 0.000 0.774 244 S HN 0.723 nan 8.310 nan 0.000 0.510 245 A N 0.729 123.620 122.820 0.118 0.000 1.975 245 A HA 0.119 4.439 4.320 -0.000 0.000 0.215 245 A C 2.169 179.794 177.584 0.069 0.000 1.170 245 A CA 0.660 52.786 52.037 0.148 0.000 0.656 245 A CB -0.485 18.608 19.000 0.155 0.000 0.821 245 A HN 0.329 nan 8.150 nan 0.000 0.449 246 V N -0.028 119.914 119.914 0.046 0.000 2.427 246 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 246 V C 2.931 179.033 176.094 0.013 0.000 1.051 246 V CA 1.872 64.186 62.300 0.023 0.000 1.048 246 V CB -0.995 30.838 31.823 0.017 0.000 0.666 246 V HN 0.568 nan 8.190 nan 0.000 0.456 247 A N -0.355 122.476 122.820 0.020 0.000 2.016 247 A HA 0.151 4.471 4.320 -0.000 0.000 0.217 247 A C 2.352 179.937 177.584 0.002 0.000 1.162 247 A CA 1.470 53.512 52.037 0.008 0.000 0.662 247 A CB -0.446 18.562 19.000 0.012 0.000 0.812 247 A HN 0.510 nan 8.150 nan 0.000 0.450 248 A N 0.258 123.087 122.820 0.015 0.000 1.854 248 A HA 0.020 4.340 4.320 -0.000 0.000 0.214 248 A C 2.099 179.670 177.584 -0.023 0.000 1.192 248 A CA 1.354 53.390 52.037 -0.001 0.000 0.611 248 A CB -0.677 18.327 19.000 0.007 0.000 0.832 248 A HN 0.440 nan 8.150 nan 0.000 0.442 249 L N -0.096 121.116 121.223 -0.018 0.000 1.990 249 L HA -0.267 4.073 4.340 -0.000 0.000 0.213 249 L C 2.577 179.408 176.870 -0.064 0.000 1.072 249 L CA 2.027 56.843 54.840 -0.041 0.000 0.755 249 L CB -0.853 41.190 42.059 -0.027 0.000 0.889 249 L HN 0.482 nan 8.230 nan 0.000 0.432 250 E N 0.050 120.220 120.200 -0.050 0.000 2.204 250 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 250 E C 2.206 178.764 176.600 -0.070 0.000 0.989 250 E CA 0.988 57.349 56.400 -0.065 0.000 0.824 250 E CB -0.355 29.317 29.700 -0.047 0.000 0.756 250 E HN 0.612 nan 8.360 nan 0.000 0.477 251 G N 0.280 109.047 108.800 -0.054 0.000 2.598 251 G HA2 0.049 4.009 3.960 -0.000 0.000 0.215 251 G HA3 0.049 4.009 3.960 -0.000 0.000 0.215 251 G C 1.094 175.953 174.900 -0.069 0.000 1.131 251 G CA 0.637 45.706 45.100 -0.052 0.000 0.785 251 G HN 0.449 nan 8.290 nan 0.000 0.539 252 G N -1.494 107.250 108.800 -0.094 0.000 2.813 252 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.194 252 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.194 252 G C 0.276 175.071 174.900 -0.175 0.000 1.010 252 G CA -0.048 44.969 45.100 -0.139 0.000 0.771 252 G HN 0.520 nan 8.290 nan 0.000 0.485 253 V N 2.414 122.272 119.914 -0.093 0.000 2.928 253 V HA 0.074 4.194 4.120 -0.000 0.000 0.307 253 V C 1.711 177.766 176.094 -0.066 0.000 1.105 253 V CA 0.719 62.996 62.300 -0.039 0.000 1.223 253 V CB 0.777 32.586 31.823 -0.022 0.000 0.930 253 V HN 0.410 nan 8.190 nan 0.000 0.499 254 H N 3.072 122.115 119.070 -0.044 0.000 2.465 254 H HA 0.214 4.770 4.556 -0.000 0.000 0.289 254 H C 1.116 176.425 175.328 -0.033 0.000 1.022 254 H CA 0.642 56.667 56.048 -0.037 0.000 1.340 254 H CB 0.692 30.433 29.762 -0.035 0.000 1.437 254 H HN 0.471 nan 8.280 nan 0.000 0.539 255 R N 0.888 121.437 120.500 0.080 0.000 2.572 255 R HA 0.230 4.570 4.340 -0.000 0.000 0.273 255 R C -2.053 174.245 176.300 -0.003 0.000 1.168 255 R CA -0.333 55.786 56.100 0.032 0.000 1.021 255 R CB 1.628 31.947 30.300 0.032 0.000 1.249 255 R HN -0.005 nan 8.270 nan 0.000 0.423 256 V N 4.628 124.540 119.914 -0.004 0.000 2.459 256 V HA 0.565 4.685 4.120 -0.000 0.000 0.295 256 V C -0.953 175.139 176.094 -0.003 0.000 1.029 256 V CA -0.188 62.097 62.300 -0.024 0.000 0.874 256 V CB 1.768 33.594 31.823 0.005 0.000 0.985 256 V HN 0.824 nan 8.190 nan 0.000 0.438 257 Q N 6.392 126.175 119.800 -0.028 0.000 2.257 257 Q HA 0.613 4.952 4.340 -0.000 0.000 0.262 257 Q C -1.284 174.753 176.000 0.062 0.000 0.997 257 Q CA -0.983 54.822 55.803 0.004 0.000 0.873 257 Q CB 2.696 31.415 28.738 -0.032 0.000 1.312 257 Q HN 0.678 nan 8.270 nan 0.000 0.450 258 I N 2.764 123.375 120.570 0.067 0.000 2.410 258 I HA 0.481 4.651 4.170 -0.000 0.000 0.286 258 I C -0.403 175.740 176.117 0.043 0.000 1.009 258 I CA -0.476 60.878 61.300 0.090 0.000 1.111 258 I CB 0.678 38.727 38.000 0.081 0.000 1.262 258 I HN 0.519 nan 8.210 nan 0.000 0.443 259 L N 4.269 125.519 121.223 0.045 0.000 2.303 259 L HA 0.541 4.880 4.340 -0.000 0.000 0.256 259 L C 0.169 177.055 176.870 0.027 0.000 1.034 259 L CA -0.899 53.954 54.840 0.021 0.000 0.832 259 L CB 1.860 43.925 42.059 0.010 0.000 1.403 259 L HN 0.386 nan 8.230 nan 0.000 0.419 260 N N 0.578 119.287 118.700 0.016 0.000 2.439 260 N HA 0.151 4.891 4.740 -0.000 0.000 0.243 260 N C 0.820 176.343 175.510 0.022 0.000 1.088 260 N CA 0.072 53.132 53.050 0.016 0.000 0.940 260 N CB 1.538 40.030 38.487 0.009 0.000 1.180 260 N HN 0.776 nan 8.380 nan 0.000 0.505 261 G N 2.231 111.051 108.800 0.032 0.000 2.470 261 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.220 261 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.220 261 G C 1.153 176.077 174.900 0.040 0.000 1.121 261 G CA 0.798 45.924 45.100 0.042 0.000 0.766 261 G HN 0.629 nan 8.290 nan 0.000 0.553 262 A N 0.031 122.869 122.820 0.030 0.000 2.123 262 A HA 0.661 4.981 4.320 -0.000 0.000 0.214 262 A C 1.599 179.197 177.584 0.023 0.000 1.152 262 A CA 0.893 52.947 52.037 0.028 0.000 0.728 262 A CB -0.126 18.886 19.000 0.020 0.000 0.814 262 A HN 0.666 nan 8.150 nan 0.000 0.464 263 A N 0.751 123.582 122.820 0.019 0.000 2.362 263 A HA 0.424 4.744 4.320 -0.000 0.000 0.276 263 A C -0.339 177.255 177.584 0.017 0.000 1.153 263 A CA -0.320 51.725 52.037 0.014 0.000 0.813 263 A CB -0.153 18.852 19.000 0.009 0.000 1.081 263 A HN 0.307 nan 8.150 nan 0.000 0.507 264 D N 2.355 122.764 120.400 0.015 0.000 2.389 264 D HA 0.348 4.988 4.640 -0.000 0.000 0.263 264 D C 1.386 177.697 176.300 0.017 0.000 1.255 264 D CA 1.895 55.906 54.000 0.018 0.000 0.914 264 D CB -0.027 40.782 40.800 0.015 0.000 1.116 264 D HN 1.155 nan 8.370 nan 0.000 0.502 265 G N 2.944 111.759 108.800 0.025 0.000 2.159 265 G HA2 -0.359 3.600 3.960 -0.000 0.000 0.256 265 G HA3 -0.359 3.600 3.960 -0.000 0.000 0.256 265 G C 1.304 176.216 174.900 0.021 0.000 0.977 265 G CA 1.036 46.153 45.100 0.029 0.000 0.652 265 G HN 0.858 nan 8.290 nan 0.000 0.531 266 S N -0.400 115.309 115.700 0.014 0.000 2.387 266 S HA -0.046 4.424 4.470 -0.000 0.000 0.230 266 S C 2.275 176.868 174.600 -0.012 0.000 1.035 266 S CA 1.503 59.702 58.200 -0.002 0.000 1.014 266 S CB -0.246 62.954 63.200 -0.001 0.000 0.836 266 S HN 0.634 nan 8.310 nan 0.000 0.466 267 L N -0.027 121.198 121.223 0.003 0.000 2.017 267 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 267 L C 2.466 179.313 176.870 -0.038 0.000 1.073 267 L CA 1.188 56.019 54.840 -0.016 0.000 0.745 267 L CB -0.441 41.633 42.059 0.024 0.000 0.894 267 L HN 0.311 nan 8.230 nan 0.000 0.432 268 L N -0.443 120.807 121.223 0.044 0.000 1.970 268 L HA -0.305 4.035 4.340 -0.000 0.000 0.212 268 L C 2.551 179.458 176.870 0.062 0.000 1.071 268 L CA 1.951 56.882 54.840 0.152 0.000 0.751 268 L CB -1.226 40.934 42.059 0.167 0.000 0.889 268 L HN 0.364 nan 8.230 nan 0.000 0.432 269 Q N -0.798 119.007 119.800 0.009 0.000 2.170 269 Q HA -0.256 4.084 4.340 -0.000 0.000 0.203 269 Q C 2.089 178.020 176.000 -0.114 0.000 0.976 269 Q CA 1.671 57.452 55.803 -0.038 0.000 0.858 269 Q CB 0.028 28.746 28.738 -0.034 0.000 0.907 269 Q HN 0.420 nan 8.270 nan 0.000 0.433 270 E N 0.284 120.404 120.200 -0.133 0.000 2.047 270 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 270 E C 1.714 178.134 176.600 -0.299 0.000 0.987 270 E CA 1.376 57.669 56.400 -0.178 0.000 0.799 270 E CB -0.283 29.336 29.700 -0.135 0.000 0.752 270 E HN 0.506 nan 8.360 nan 0.000 0.449 271 L N -0.972 119.987 121.223 -0.441 0.000 2.240 271 L HA 0.022 4.362 4.340 -0.000 0.000 0.211 271 L C 0.852 177.197 176.870 -0.874 0.000 1.106 271 L CA 0.491 54.874 54.840 -0.762 0.000 0.793 271 L CB 0.034 41.353 42.059 -1.234 0.000 0.927 271 L HN 0.112 nan 8.230 nan 0.000 0.446 272 F N -1.475 118.353 119.950 -0.203 0.000 2.735 272 F HA 0.172 4.699 4.527 -0.000 0.000 0.308 272 F C 0.978 176.536 175.800 -0.403 0.000 1.112 272 F CA -0.718 57.160 58.000 -0.203 0.000 1.235 272 F CB -0.183 38.786 39.000 -0.051 0.000 1.027 272 F HN -0.143 nan 8.300 nan 0.000 0.528 273 T N -2.787 111.480 114.554 -0.477 0.000 2.940 273 T HA 0.344 4.694 4.350 -0.000 0.000 0.288 273 T C 1.277 175.553 174.700 -0.706 0.000 1.033 273 T CA -0.782 61.053 62.100 -0.441 0.000 1.033 273 T CB 2.196 70.957 68.868 -0.179 0.000 1.079 273 T HN 0.296 nan 8.240 nan 0.000 0.496 274 R N 1.922 122.241 120.500 -0.302 0.000 2.090 274 R HA 0.017 4.357 4.340 -0.000 0.000 0.228 274 R C 0.612 176.853 176.300 -0.099 0.000 1.110 274 R CA 0.727 56.778 56.100 -0.082 0.000 0.973 274 R CB -0.483 29.878 30.300 0.102 0.000 0.869 274 R HN 0.734 nan 8.270 nan 0.000 0.440 275 N N -0.731 117.907 118.700 -0.103 0.000 2.386 275 N HA 0.401 5.140 4.740 -0.000 0.000 0.291 275 N C 0.082 175.512 175.510 -0.133 0.000 1.309 275 N CA -0.089 52.908 53.050 -0.089 0.000 0.948 275 N CB 0.600 39.055 38.487 -0.053 0.000 1.083 275 N HN 0.295 nan 8.380 nan 0.000 0.527 276 G N -1.014 107.728 108.800 -0.097 0.000 2.578 276 G HA2 0.439 4.399 3.960 -0.000 0.000 0.302 276 G HA3 0.439 4.399 3.960 -0.000 0.000 0.302 276 G C -1.428 173.431 174.900 -0.068 0.000 1.243 276 G CA -0.484 44.555 45.100 -0.103 0.000 0.843 276 G HN 0.465 nan 8.290 nan 0.000 0.486 277 I N -1.824 118.712 120.570 -0.057 0.000 3.439 277 I HA 0.617 4.787 4.170 -0.000 0.000 0.321 277 I C 0.455 176.556 176.117 -0.027 0.000 1.435 277 I CA -0.384 60.895 61.300 -0.036 0.000 0.914 277 I CB 0.519 38.501 38.000 -0.030 0.000 1.807 277 I HN 1.083 nan 8.210 nan 0.000 0.681 278 G N -0.014 108.768 108.800 -0.029 0.000 2.896 278 G HA2 0.680 4.640 3.960 -0.000 0.000 0.247 278 G HA3 0.680 4.640 3.960 -0.000 0.000 0.247 278 G C -1.285 173.608 174.900 -0.012 0.000 1.187 278 G CA -0.298 44.793 45.100 -0.015 0.000 0.837 278 G HN -0.028 nan 8.290 nan 0.000 0.559 279 T N 0.327 114.880 114.554 -0.001 0.000 2.888 279 T HA 0.668 5.018 4.350 -0.000 0.000 0.284 279 T C -0.229 174.473 174.700 0.003 0.000 1.017 279 T CA -0.164 61.938 62.100 0.003 0.000 1.022 279 T CB 1.423 70.299 68.868 0.014 0.000 1.013 279 T HN 0.973 nan 8.240 nan 0.000 0.465 280 S N 1.856 117.556 115.700 0.001 0.000 2.569 280 S HA 0.829 5.299 4.470 -0.000 0.000 0.280 280 S C -1.393 173.213 174.600 0.011 0.000 1.111 280 S CA -0.804 57.398 58.200 0.002 0.000 0.887 280 S CB 0.803 63.995 63.200 -0.012 0.000 1.095 280 S HN 0.605 nan 8.310 nan 0.000 0.476 281 I N 1.893 122.473 120.570 0.015 0.000 2.619 281 I HA 0.762 4.932 4.170 -0.000 0.000 0.292 281 I C -0.424 175.704 176.117 0.018 0.000 1.100 281 I CA -0.876 60.436 61.300 0.020 0.000 1.043 281 I CB 2.090 40.108 38.000 0.030 0.000 1.239 281 I HN 0.910 nan 8.210 nan 0.000 0.420 282 A N 4.397 127.227 122.820 0.017 0.000 2.549 282 A HA 0.740 5.060 4.320 -0.000 0.000 0.297 282 A C -1.156 176.433 177.584 0.009 0.000 1.061 282 A CA -0.744 51.301 52.037 0.015 0.000 0.690 282 A CB 1.963 20.975 19.000 0.021 0.000 1.287 282 A HN 0.671 nan 8.150 nan 0.000 0.402 283 K N 2.254 122.652 120.400 -0.003 0.000 2.357 283 K HA 0.220 4.540 4.320 -0.000 0.000 0.251 283 K C 0.479 177.075 176.600 -0.007 0.000 1.069 283 K CA -0.214 56.066 56.287 -0.012 0.000 0.994 283 K CB 0.398 32.875 32.500 -0.039 0.000 1.411 283 K HN 0.723 nan 8.250 nan 0.000 0.450 284 E N 3.216 123.426 120.200 0.018 0.000 0.922 284 E HA -0.265 4.085 4.350 -0.000 0.000 0.174 284 E C -0.488 176.131 176.600 0.032 0.000 0.642 284 E CA 0.685 57.107 56.400 0.037 0.000 0.358 284 E CB -1.042 28.685 29.700 0.044 0.000 1.058 284 E HN 0.579 nan 8.360 nan 0.000 0.232 285 A N 3.169 125.999 122.820 0.016 0.000 2.567 285 A HA 0.152 4.472 4.320 -0.000 0.000 0.236 285 A C 0.501 178.179 177.584 0.156 0.000 1.088 285 A CA 0.304 52.336 52.037 -0.009 0.000 0.776 285 A CB -0.130 18.859 19.000 -0.018 0.000 1.033 285 A HN 0.589 nan 8.150 nan 0.000 0.513 286 F N 0.491 120.484 119.950 0.072 0.000 2.494 286 F HA 0.473 5.000 4.527 -0.001 0.000 0.369 286 F C -0.066 175.796 175.800 0.103 0.000 1.098 286 F CA -1.792 56.260 58.000 0.087 0.000 1.154 286 F CB -1.156 37.909 39.000 0.109 0.000 1.103 286 F HN 0.532 nan 8.300 nan 0.000 0.549 287 V N 0.742 120.812 119.914 0.260 0.000 2.559 287 V HA 0.412 4.531 4.120 -0.000 0.000 0.289 287 V C -0.156 175.944 176.094 0.011 0.000 1.036 287 V CA -0.893 61.459 62.300 0.087 0.000 0.887 287 V CB 0.541 32.392 31.823 0.047 0.000 1.022 287 V HN 0.897 nan 8.190 nan 0.000 0.442 288 S N 6.194 121.880 115.700 -0.023 0.000 2.503 288 S HA 0.533 5.003 4.470 -0.000 0.000 0.317 288 S C -0.110 174.441 174.600 -0.082 0.000 1.162 288 S CA -0.231 57.948 58.200 -0.035 0.000 1.124 288 S CB -0.729 62.452 63.200 -0.032 0.000 1.207 288 S HN 0.641 nan 8.310 nan 0.000 0.538 289 I N 6.438 126.939 120.570 -0.115 0.000 2.354 289 I HA 0.561 4.731 4.170 -0.000 0.000 0.292 289 I C 0.198 176.199 176.117 -0.194 0.000 0.989 289 I CA -0.760 60.409 61.300 -0.218 0.000 1.188 289 I CB 1.507 39.259 38.000 -0.415 0.000 1.342 289 I HN 0.655 nan 8.210 nan 0.000 0.457 290 R N 3.905 124.333 120.500 -0.120 0.000 2.781 290 R HA 0.391 4.731 4.340 -0.000 0.000 0.269 290 R C -1.006 175.326 176.300 0.054 0.000 1.025 290 R CA -1.026 55.068 56.100 -0.010 0.000 0.914 290 R CB 0.950 31.268 30.300 0.030 0.000 1.236 290 R HN 0.298 nan 8.270 nan 0.000 0.465 291 Q N 1.283 121.149 119.800 0.109 0.000 2.239 291 Q HA 0.129 4.468 4.340 -0.000 0.000 0.286 291 Q C -0.274 175.791 176.000 0.109 0.000 1.102 291 Q CA 0.588 56.470 55.803 0.132 0.000 0.936 291 Q CB 0.773 29.590 28.738 0.131 0.000 1.127 291 Q HN 0.674 nan 8.270 nan 0.000 0.380 292 A N 4.982 127.853 122.820 0.085 0.000 2.587 292 A HA 0.131 4.451 4.320 -0.000 0.000 0.233 292 A C -0.107 177.467 177.584 -0.017 0.000 1.049 292 A CA 0.510 52.536 52.037 -0.019 0.000 0.754 292 A CB -0.114 18.901 19.000 0.025 0.000 0.977 292 A HN 0.910 nan 8.150 nan 0.000 0.509 293 H N -1.134 117.943 119.070 0.012 0.000 2.931 293 H HA 0.630 5.186 4.556 -0.001 0.000 0.331 293 H C 1.135 176.444 175.328 -0.032 0.000 1.273 293 H CA -0.072 55.977 56.048 0.000 0.000 1.171 293 H CB 0.432 30.194 29.762 0.000 0.000 1.898 293 H HN 0.490 nan 8.280 nan 0.000 0.562 294 S N -0.410 115.405 115.700 0.192 0.000 2.389 294 S HA -0.225 4.245 4.470 -0.000 0.000 0.231 294 S C 2.134 176.731 174.600 -0.005 0.000 1.052 294 S CA 2.206 60.451 58.200 0.075 0.000 1.053 294 S CB -1.352 61.897 63.200 0.082 0.000 0.886 294 S HN 0.848 nan 8.310 nan 0.000 0.456 295 G N 1.001 109.849 108.800 0.079 0.000 2.432 295 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.219 295 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.219 295 G C 1.111 175.850 174.900 -0.268 0.000 1.135 295 G CA 0.983 46.050 45.100 -0.054 0.000 0.767 295 G HN 0.650 nan 8.290 nan 0.000 0.550 296 D N 0.647 120.820 120.400 -0.379 0.000 2.351 296 D HA -0.056 4.584 4.640 -0.000 0.000 0.216 296 D C 2.355 178.496 176.300 -0.264 0.000 0.968 296 D CA 0.228 54.027 54.000 -0.336 0.000 0.899 296 D CB 0.079 40.696 40.800 -0.305 0.000 0.907 296 D HN 0.379 nan 8.370 nan 0.000 0.514 297 I N 1.718 122.145 120.570 -0.238 0.000 2.202 297 I HA -0.161 4.009 4.170 -0.000 0.000 0.242 297 I C -0.479 175.548 176.117 -0.151 0.000 1.091 297 I CA 1.056 62.239 61.300 -0.196 0.000 1.368 297 I CB -1.637 36.263 38.000 -0.166 0.000 1.058 297 I HN -0.011 nan 8.210 nan 0.000 0.410 298 P HA -0.199 nan 4.420 nan 0.000 0.214 298 P C 1.322 178.631 177.300 0.016 0.000 1.163 298 P CA 1.846 64.896 63.100 -0.083 0.000 0.889 298 P CB -0.414 31.228 31.700 -0.097 0.000 0.790 299 H N 0.141 119.151 119.070 -0.099 0.000 2.265 299 H HA -0.130 4.426 4.556 -0.000 0.000 0.293 299 H C 2.290 177.554 175.328 -0.108 0.000 1.089 299 H CA 1.072 57.056 56.048 -0.107 0.000 1.244 299 H CB -1.574 28.115 29.762 -0.122 0.000 1.355 299 H HN 0.161 nan 8.280 nan 0.000 0.485 300 I N 0.371 120.948 120.570 0.011 0.000 2.264 300 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 300 I C 2.705 178.789 176.117 -0.055 0.000 1.111 300 I CA 1.048 62.316 61.300 -0.054 0.000 1.382 300 I CB -0.463 37.440 38.000 -0.162 0.000 1.060 300 I HN 0.233 nan 8.210 nan 0.000 0.418 301 A N 0.874 123.658 122.820 -0.060 0.000 1.877 301 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 301 A C 2.566 180.130 177.584 -0.034 0.000 1.186 301 A CA 1.920 53.927 52.037 -0.051 0.000 0.620 301 A CB -0.776 18.190 19.000 -0.056 0.000 0.822 301 A HN 0.434 nan 8.150 nan 0.000 0.443 302 A N -0.709 122.098 122.820 -0.022 0.000 1.930 302 A HA 0.041 4.361 4.320 -0.000 0.000 0.217 302 A C 2.106 179.671 177.584 -0.032 0.000 1.175 302 A CA 1.656 53.677 52.037 -0.026 0.000 0.627 302 A CB -0.540 18.447 19.000 -0.022 0.000 0.815 302 A HN 0.685 nan 8.150 nan 0.000 0.443 303 L N -0.801 120.403 121.223 -0.031 0.000 2.027 303 L HA -0.052 4.288 4.340 -0.000 0.000 0.206 303 L C 1.984 178.847 176.870 -0.013 0.000 1.074 303 L CA 1.717 56.541 54.840 -0.026 0.000 0.745 303 L CB -0.520 41.525 42.059 -0.022 0.000 0.898 303 L HN 0.263 nan 8.230 nan 0.000 0.433 304 I N -0.472 120.093 120.570 -0.009 0.000 2.500 304 I HA -0.093 4.077 4.170 -0.000 0.000 0.252 304 I C 2.646 178.755 176.117 -0.013 0.000 1.142 304 I CA 1.011 62.315 61.300 0.005 0.000 1.451 304 I CB -0.730 37.284 38.000 0.023 0.000 1.093 304 I HN 0.284 nan 8.210 nan 0.000 0.430 305 R N 0.351 120.832 120.500 -0.031 0.000 2.066 305 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 305 R C -0.214 176.054 176.300 -0.053 0.000 1.131 305 R CA 1.466 57.533 56.100 -0.055 0.000 0.955 305 R CB -1.831 28.432 30.300 -0.063 0.000 0.851 305 R HN 0.310 nan 8.270 nan 0.000 0.432 306 P HA -0.170 nan 4.420 nan 0.000 0.215 306 P C 1.343 178.625 177.300 -0.030 0.000 1.157 306 P CA 1.367 64.447 63.100 -0.034 0.000 0.874 306 P CB -0.097 31.588 31.700 -0.026 0.000 0.790 307 L N -0.163 121.046 121.223 -0.023 0.000 2.056 307 L HA -0.167 4.172 4.340 -0.000 0.000 0.207 307 L C 2.634 179.496 176.870 -0.013 0.000 1.078 307 L CA 1.709 56.540 54.840 -0.015 0.000 0.749 307 L CB -1.219 40.836 42.059 -0.007 0.000 0.901 307 L HN 0.128 nan 8.230 nan 0.000 0.433 308 E N 0.241 120.430 120.200 -0.019 0.000 2.338 308 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 308 E C 1.753 178.323 176.600 -0.049 0.000 1.007 308 E CA 1.000 57.387 56.400 -0.021 0.000 0.849 308 E CB -0.130 29.555 29.700 -0.026 0.000 0.774 308 E HN 0.536 nan 8.360 nan 0.000 0.506 309 E N 0.532 120.698 120.200 -0.058 0.000 2.230 309 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 309 E C 1.799 178.384 176.600 -0.025 0.000 0.987 309 E CA 0.351 56.721 56.400 -0.049 0.000 0.841 309 E CB 0.195 29.863 29.700 -0.054 0.000 0.783 309 E HN 0.418 nan 8.360 nan 0.000 0.481 310 Q N -0.839 118.949 119.800 -0.020 0.000 2.451 310 Q HA 0.034 4.374 4.340 -0.000 0.000 0.206 310 Q C 0.701 176.696 176.000 -0.008 0.000 0.947 310 Q CA 0.511 56.306 55.803 -0.014 0.000 0.937 310 Q CB 0.706 29.436 28.738 -0.015 0.000 1.025 310 Q HN 0.358 nan 8.270 nan 0.000 0.511 311 G N 0.881 109.679 108.800 -0.002 0.000 2.171 311 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.238 311 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.238 311 G C 0.434 175.336 174.900 0.004 0.000 1.039 311 G CA 0.190 45.292 45.100 0.005 0.000 0.759 311 G HN 0.401 nan 8.290 nan 0.000 0.501 312 I N -0.964 119.609 120.570 0.005 0.000 4.139 312 I HA 0.355 4.525 4.170 -0.000 0.000 0.320 312 I C 0.873 177.001 176.117 0.019 0.000 1.290 312 I CA 0.365 61.667 61.300 0.003 0.000 1.253 312 I CB 0.247 38.242 38.000 -0.009 0.000 1.122 312 I HN 0.075 nan 8.210 nan 0.000 0.421 313 L N 1.518 122.758 121.223 0.029 0.000 2.381 313 L HA 0.456 4.796 4.340 -0.000 0.000 0.268 313 L C -0.460 176.453 176.870 0.072 0.000 0.997 313 L CA -0.845 54.025 54.840 0.051 0.000 0.818 313 L CB 2.579 44.671 42.059 0.056 0.000 1.310 313 L HN -0.033 nan 8.230 nan 0.000 0.416 314 L N 1.686 122.958 121.223 0.082 0.000 2.506 314 L HA 0.017 4.357 4.340 -0.000 0.000 0.281 314 L C 0.579 177.553 176.870 0.173 0.000 1.228 314 L CA 0.145 55.046 54.840 0.102 0.000 0.850 314 L CB 0.020 42.123 42.059 0.073 0.000 1.110 314 L HN 0.593 nan 8.230 nan 0.000 0.496 315 H N 3.131 122.243 119.070 0.070 0.000 2.742 315 H HA 0.248 4.803 4.556 -0.000 0.000 0.302 315 H C 0.066 175.503 175.328 0.181 0.000 1.069 315 H CA -0.712 55.396 56.048 0.101 0.000 1.446 315 H CB 0.575 30.389 29.762 0.087 0.000 1.462 315 H HN 0.533 nan 8.280 nan 0.000 0.499 316 R N 1.933 122.768 120.500 0.558 0.000 2.601 316 R HA 0.460 4.800 4.340 -0.000 0.000 0.220 316 R C -0.694 175.922 176.300 0.527 0.000 1.329 316 R CA -0.212 56.232 56.100 0.573 0.000 1.043 316 R CB 1.193 31.691 30.300 0.329 0.000 1.807 316 R HN 0.779 nan 8.270 nan 0.000 0.537 317 S N -1.418 114.446 115.700 0.274 0.000 2.608 317 S HA 0.169 4.639 4.470 -0.000 0.000 0.285 317 S C -0.024 174.531 174.600 -0.075 0.000 1.108 317 S CA -0.894 57.300 58.200 -0.011 0.000 0.858 317 S CB 1.435 64.450 63.200 -0.310 0.000 1.077 317 S HN 0.656 nan 8.310 nan 0.000 0.450 318 R N 1.260 121.707 120.500 -0.088 0.000 2.190 318 R HA -0.223 4.117 4.340 -0.000 0.000 0.255 318 R C 1.550 177.790 176.300 -0.101 0.000 1.143 318 R CA 2.882 58.927 56.100 -0.091 0.000 0.965 318 R CB -0.646 29.603 30.300 -0.084 0.000 0.889 318 R HN 0.784 nan 8.270 nan 0.000 0.448 319 E N -1.261 118.853 120.200 -0.144 0.000 2.122 319 E HA -0.035 4.315 4.350 -0.000 0.000 0.190 319 E C 1.754 178.296 176.600 -0.095 0.000 0.977 319 E CA 1.268 57.596 56.400 -0.121 0.000 0.820 319 E CB -0.289 29.328 29.700 -0.138 0.000 0.770 319 E HN 0.498 nan 8.360 nan 0.000 0.462 320 Y N 0.517 120.706 120.300 -0.186 0.000 2.040 320 Y HA -0.311 4.239 4.550 0.000 0.000 0.275 320 Y C 2.162 177.784 175.900 -0.463 0.000 1.171 320 Y CA 0.809 58.707 58.100 -0.336 0.000 1.123 320 Y CB -0.239 38.123 38.460 -0.162 0.000 0.963 320 Y HN 0.026 nan 8.280 nan 0.000 0.493 321 L N -0.136 121.059 121.223 -0.047 0.000 1.994 321 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 321 L C 2.363 179.181 176.870 -0.087 0.000 1.071 321 L CA 1.411 56.188 54.840 -0.105 0.000 0.745 321 L CB -0.624 41.330 42.059 -0.174 0.000 0.892 321 L HN 0.272 nan 8.230 nan 0.000 0.431 322 E N 0.063 120.215 120.200 -0.081 0.000 2.136 322 E HA -0.266 4.084 4.350 -0.000 0.000 0.202 322 E C 1.639 178.245 176.600 0.010 0.000 1.019 322 E CA 1.615 57.990 56.400 -0.042 0.000 0.819 322 E CB -0.044 29.629 29.700 -0.045 0.000 0.739 322 E HN 0.447 nan 8.360 nan 0.000 0.458 323 N N -0.757 117.943 118.700 0.000 0.000 2.412 323 N HA -0.011 4.729 4.740 -0.000 0.000 0.184 323 N C 0.263 176.009 175.510 0.394 0.000 1.101 323 N CA 0.677 53.804 53.050 0.128 0.000 0.881 323 N CB 0.271 38.829 38.487 0.118 0.000 0.969 323 N HN 0.413 nan 8.380 nan 0.000 0.459 324 H N -1.152 117.986 119.070 0.114 0.000 2.785 324 H HA 0.208 4.765 4.556 0.001 0.000 0.268 324 H C 1.041 176.504 175.328 0.225 0.000 1.153 324 H CA -0.414 55.725 56.048 0.152 0.000 1.111 324 H CB 0.812 30.691 29.762 0.196 0.000 1.633 324 H HN -0.055 nan 8.280 nan 0.000 0.576 325 I N 2.253 122.974 120.570 0.252 0.000 2.623 325 I HA -0.258 3.911 4.170 -0.000 0.000 0.261 325 I C 2.266 178.521 176.117 0.230 0.000 1.204 325 I CA 1.205 62.611 61.300 0.177 0.000 1.444 325 I CB -0.167 37.863 38.000 0.050 0.000 1.094 325 I HN 0.244 nan 8.210 nan 0.000 0.451 326 S N 0.053 115.873 115.700 0.200 0.000 2.461 326 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 326 S C 1.663 176.351 174.600 0.146 0.000 1.005 326 S CA 0.670 58.960 58.200 0.149 0.000 0.942 326 S CB -0.668 62.589 63.200 0.095 0.000 0.776 326 S HN 0.773 nan 8.310 nan 0.000 0.514 327 E N -0.322 119.980 120.200 0.169 0.000 2.489 327 E HA 0.168 4.518 4.350 -0.000 0.000 0.193 327 E C -0.637 175.925 176.600 -0.062 0.000 1.057 327 E CA -0.359 56.053 56.400 0.020 0.000 0.866 327 E CB -0.177 29.475 29.700 -0.080 0.000 0.916 327 E HN 0.524 nan 8.360 nan 0.000 0.500 328 F N 1.353 121.338 119.950 0.058 0.000 2.422 328 F HA 0.366 4.894 4.527 0.000 0.000 0.333 328 F C 0.275 176.120 175.800 0.074 0.000 1.095 328 F CA -0.629 57.408 58.000 0.063 0.000 1.038 328 F CB 2.056 41.083 39.000 0.045 0.000 1.156 328 F HN -0.187 nan 8.300 nan 0.000 0.483 329 S N 3.334 119.191 115.700 0.260 0.000 2.568 329 S HA 0.809 5.279 4.470 -0.000 0.000 0.302 329 S C -0.804 173.882 174.600 0.143 0.000 1.082 329 S CA -0.666 57.651 58.200 0.196 0.000 1.009 329 S CB 1.744 65.092 63.200 0.247 0.000 1.069 329 S HN 0.524 nan 8.310 nan 0.000 0.500 330 I N -0.135 120.464 120.570 0.047 0.000 2.828 330 I HA 0.785 4.955 4.170 -0.000 0.000 0.302 330 I C -1.583 174.501 176.117 -0.054 0.000 1.101 330 I CA -1.140 60.167 61.300 0.012 0.000 1.031 330 I CB 1.706 39.703 38.000 -0.004 0.000 1.231 330 I HN 0.579 nan 8.210 nan 0.000 0.427 331 L N 4.265 125.449 121.223 -0.065 0.000 2.346 331 L HA 0.678 5.018 4.340 -0.000 0.000 0.276 331 L C -0.958 175.864 176.870 -0.079 0.000 1.006 331 L CA 0.063 54.828 54.840 -0.125 0.000 0.817 331 L CB 1.409 43.343 42.059 -0.207 0.000 1.272 331 L HN 0.923 nan 8.230 nan 0.000 0.421 332 E N 3.109 123.271 120.200 -0.062 0.000 2.343 332 E HA 0.302 4.652 4.350 -0.000 0.000 0.278 332 E C -1.929 174.708 176.600 0.061 0.000 0.910 332 E CA -0.825 55.584 56.400 0.016 0.000 0.757 332 E CB 1.975 31.667 29.700 -0.014 0.000 1.218 332 E HN 0.762 nan 8.360 nan 0.000 0.435 333 H N 2.284 121.397 119.070 0.071 0.000 2.840 333 H HA 0.259 4.815 4.556 -0.000 0.000 0.340 333 H C -0.962 174.390 175.328 0.039 0.000 1.004 333 H CA -0.117 55.927 56.048 -0.007 0.000 1.288 333 H CB 0.940 30.693 29.762 -0.015 0.000 1.607 333 H HN 0.667 nan 8.280 nan 0.000 0.522 334 D N 4.086 124.197 120.400 -0.481 0.000 2.800 334 D HA -0.166 4.474 4.640 -0.000 0.000 0.232 334 D C 1.190 177.432 176.300 -0.096 0.000 1.137 334 D CA 1.971 55.786 54.000 -0.308 0.000 0.718 334 D CB -1.218 39.421 40.800 -0.269 0.000 1.084 334 D HN 1.173 nan 8.370 nan 0.000 0.432 335 G N -0.712 108.047 108.800 -0.069 0.000 2.284 335 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.261 335 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.261 335 G C 0.320 175.208 174.900 -0.019 0.000 0.997 335 G CA 0.420 45.509 45.100 -0.018 0.000 0.621 335 G HN 0.471 nan 8.290 nan 0.000 0.534 336 N N 1.028 119.711 118.700 -0.029 0.000 2.520 336 N HA 0.366 5.106 4.740 -0.000 0.000 0.273 336 N C -0.184 175.175 175.510 -0.251 0.000 1.155 336 N CA -0.246 52.703 53.050 -0.168 0.000 0.967 336 N CB 1.701 40.136 38.487 -0.086 0.000 1.092 336 N HN 0.244 nan 8.380 nan 0.000 0.457 337 L N 3.386 124.352 121.223 -0.428 0.000 2.260 337 L HA 0.211 4.551 4.340 -0.000 0.000 0.289 337 L C -0.591 175.970 176.870 -0.516 0.000 1.057 337 L CA -0.102 54.556 54.840 -0.302 0.000 0.811 337 L CB -0.091 41.847 42.059 -0.201 0.000 1.184 337 L HN 0.562 nan 8.230 nan 0.000 0.429 338 Y N 3.979 124.266 120.300 -0.021 0.000 2.430 338 Y HA 0.466 5.016 4.550 -0.001 0.000 0.248 338 Y C 1.220 177.138 175.900 0.030 0.000 1.108 338 Y CA 0.202 58.321 58.100 0.031 0.000 1.264 338 Y CB 1.329 39.873 38.460 0.141 0.000 1.172 338 Y HN 0.692 nan 8.280 nan 0.000 0.520 339 G N -0.755 108.082 108.800 0.062 0.000 2.601 339 G HA2 0.494 4.454 3.960 -0.000 0.000 0.291 339 G HA3 0.494 4.454 3.960 -0.000 0.000 0.291 339 G C -1.732 173.195 174.900 0.044 0.000 1.456 339 G CA -0.354 44.780 45.100 0.057 0.000 0.804 339 G HN 0.167 nan 8.290 nan 0.000 0.499 340 C N -1.467 117.880 119.300 0.079 0.000 3.318 340 C HA 1.072 5.532 4.460 -0.000 0.000 0.322 340 C C -0.196 174.888 174.990 0.155 0.000 1.398 340 C CA -0.286 58.815 59.018 0.138 0.000 1.339 340 C CB 1.154 29.017 27.740 0.204 0.000 1.668 340 C HN 2.568 nan 8.230 nan 0.000 0.462 341 A N 0.385 123.311 122.820 0.176 0.000 2.582 341 A HA 0.969 5.289 4.320 -0.000 0.000 0.297 341 A C -0.818 176.724 177.584 -0.069 0.000 1.059 341 A CA 0.323 52.410 52.037 0.083 0.000 0.705 341 A CB 0.719 19.797 19.000 0.129 0.000 1.279 341 A HN 2.747 nan 8.150 nan 0.000 0.404 342 A N 0.673 123.331 122.820 -0.270 0.000 2.413 342 A HA 0.828 5.148 4.320 -0.000 0.000 0.307 342 A C -1.502 175.931 177.584 -0.252 0.000 1.087 342 A CA -0.546 51.173 52.037 -0.530 0.000 0.750 342 A CB 1.461 19.730 19.000 -1.218 0.000 1.296 342 A HN 1.917 nan 8.150 nan 0.000 0.423 343 L N 1.290 122.389 121.223 -0.207 0.000 2.294 343 L HA 0.525 4.865 4.340 -0.000 0.000 0.283 343 L C -0.304 176.458 176.870 -0.180 0.000 1.015 343 L CA -0.218 54.548 54.840 -0.123 0.000 0.831 343 L CB 0.729 42.740 42.059 -0.080 0.000 1.217 343 L HN 0.684 nan 8.230 nan 0.000 0.420 344 K N 2.548 122.833 120.400 -0.191 0.000 2.118 344 K HA 0.656 4.976 4.320 -0.000 0.000 0.267 344 K C 0.053 176.357 176.600 -0.494 0.000 0.991 344 K CA -0.446 55.631 56.287 -0.350 0.000 0.916 344 K CB 1.259 33.534 32.500 -0.375 0.000 1.041 344 K HN 0.756 nan 8.250 nan 0.000 0.455 345 T N -1.387 112.773 114.554 -0.655 0.000 2.927 345 T HA 0.724 5.074 4.350 -0.000 0.000 0.286 345 T C -0.648 173.456 174.700 -0.994 0.000 1.040 345 T CA -0.733 60.986 62.100 -0.634 0.000 1.010 345 T CB 0.635 69.346 68.868 -0.261 0.000 1.177 345 T HN 0.307 nan 8.240 nan 0.000 0.546 346 F N -1.643 118.283 119.950 -0.040 0.000 2.685 346 F HA 0.727 5.254 4.527 -0.001 0.000 0.315 346 F C 1.384 177.162 175.800 -0.037 0.000 1.126 346 F CA -1.032 56.940 58.000 -0.048 0.000 0.950 346 F CB 0.964 39.927 39.000 -0.062 0.000 1.360 346 F HN 0.757 nan 8.300 nan 0.000 0.469 347 A N -0.539 122.389 122.820 0.181 0.000 1.972 347 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 347 A C 0.521 178.152 177.584 0.078 0.000 1.169 347 A CA 1.083 53.171 52.037 0.085 0.000 0.635 347 A CB -0.866 18.167 19.000 0.054 0.000 0.810 347 A HN 0.697 nan 8.150 nan 0.000 0.446 348 E N 0.091 120.350 120.200 0.099 0.000 2.220 348 E HA 0.422 4.772 4.350 -0.000 0.000 0.272 348 E C 0.969 177.624 176.600 0.093 0.000 1.099 348 E CA 0.391 56.833 56.400 0.071 0.000 0.907 348 E CB 0.820 30.544 29.700 0.040 0.000 1.022 348 E HN 0.367 nan 8.360 nan 0.000 0.428 349 A N 4.117 126.972 122.820 0.058 0.000 2.070 349 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 349 A C 1.420 179.036 177.584 0.054 0.000 1.159 349 A CA 1.443 53.509 52.037 0.048 0.000 0.656 349 A CB -0.236 18.779 19.000 0.025 0.000 0.800 349 A HN 0.661 nan 8.150 nan 0.000 0.453 350 D N -0.983 119.453 120.400 0.060 0.000 2.317 350 D HA 0.004 4.644 4.640 -0.000 0.000 0.211 350 D C 0.679 177.043 176.300 0.108 0.000 0.966 350 D CA 0.241 54.277 54.000 0.060 0.000 0.876 350 D CB -0.923 39.903 40.800 0.044 0.000 0.927 350 D HN 0.320 nan 8.370 nan 0.000 0.519 351 C N 0.051 119.451 119.300 0.168 0.000 2.362 351 C HA 0.888 5.348 4.460 -0.000 0.000 0.363 351 C C 0.915 176.106 174.990 0.335 0.000 1.220 351 C CA 0.038 59.227 59.018 0.285 0.000 2.379 351 C CB 1.024 28.934 27.740 0.283 0.000 2.351 351 C HN 0.498 nan 8.230 nan 0.000 0.582 352 G N 0.424 109.485 108.800 0.435 0.000 2.646 352 G HA2 0.596 4.556 3.960 -0.000 0.000 0.291 352 G HA3 0.596 4.556 3.960 -0.000 0.000 0.291 352 G C -2.233 172.946 174.900 0.464 0.000 1.445 352 G CA -0.178 45.125 45.100 0.339 0.000 0.814 352 G HN 0.738 nan 8.290 nan 0.000 0.495 353 E N 0.060 120.443 120.200 0.306 0.000 2.292 353 E HA 0.428 4.778 4.350 -0.000 0.000 0.272 353 E C -1.266 175.416 176.600 0.136 0.000 0.881 353 E CA -0.874 55.699 56.400 0.288 0.000 0.754 353 E CB 2.637 32.555 29.700 0.363 0.000 1.201 353 E HN 0.481 nan 8.360 nan 0.000 0.425 354 I N 3.485 124.138 120.570 0.138 0.000 2.452 354 I HA 0.384 4.554 4.170 -0.000 0.000 0.287 354 I C -0.871 175.271 176.117 0.042 0.000 1.079 354 I CA 0.331 61.689 61.300 0.097 0.000 1.387 354 I CB 0.406 38.511 38.000 0.174 0.000 1.404 354 I HN 0.523 nan 8.210 nan 0.000 0.522 355 A N 5.312 128.127 122.820 -0.008 0.000 2.413 355 A HA 0.558 4.878 4.320 -0.000 0.000 0.307 355 A C 0.243 177.809 177.584 -0.030 0.000 1.087 355 A CA -0.365 51.658 52.037 -0.022 0.000 0.750 355 A CB 1.076 20.040 19.000 -0.061 0.000 1.296 355 A HN 1.237 nan 8.150 nan 0.000 0.423 356 C N 0.434 119.759 119.300 0.041 0.000 4.424 356 C HA -0.104 4.355 4.460 -0.000 0.000 0.304 356 C C -0.056 174.998 174.990 0.107 0.000 1.344 356 C CA 0.491 59.574 59.018 0.108 0.000 2.033 356 C CB -2.856 25.012 27.740 0.213 0.000 1.264 356 C HN 1.281 nan 8.230 nan 0.000 0.750 357 L N 2.280 123.548 121.223 0.076 0.000 2.265 357 L HA 0.746 5.086 4.340 -0.000 0.000 0.288 357 L C 0.159 177.021 176.870 -0.014 0.000 1.058 357 L CA 0.958 55.825 54.840 0.046 0.000 0.809 357 L CB 1.068 43.162 42.059 0.058 0.000 1.179 357 L HN 0.731 nan 8.230 nan 0.000 0.429 358 A N 4.852 127.670 122.820 -0.003 0.000 2.513 358 A HA 0.733 5.053 4.320 -0.000 0.000 0.296 358 A C -1.675 175.914 177.584 0.008 0.000 1.052 358 A CA -0.547 51.481 52.037 -0.014 0.000 0.714 358 A CB 1.410 20.425 19.000 0.025 0.000 1.279 358 A HN 0.481 nan 8.150 nan 0.000 0.397 359 V N 1.706 121.620 119.914 -0.001 0.000 2.680 359 V HA 0.562 4.681 4.120 -0.000 0.000 0.309 359 V C 0.591 176.730 176.094 0.075 0.000 1.052 359 V CA -0.693 61.652 62.300 0.075 0.000 0.908 359 V CB 2.013 33.897 31.823 0.102 0.000 1.001 359 V HN 1.061 nan 8.190 nan 0.000 0.431 360 S N 4.379 120.159 115.700 0.133 0.000 2.558 360 S HA 0.106 4.576 4.470 -0.000 0.000 0.288 360 S C -1.918 172.732 174.600 0.083 0.000 1.318 360 S CA -0.578 57.686 58.200 0.108 0.000 1.056 360 S CB 0.412 63.713 63.200 0.168 0.000 0.853 360 S HN 0.664 nan 8.310 nan 0.000 0.505 361 P HA -0.126 nan 4.420 nan 0.000 0.221 361 P C 1.385 178.698 177.300 0.021 0.000 1.150 361 P CA 0.926 64.037 63.100 0.019 0.000 0.800 361 P CB -0.020 31.684 31.700 0.006 0.000 0.787 362 Q N 0.003 119.830 119.800 0.046 0.000 2.050 362 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 362 Q C 1.720 177.709 176.000 -0.018 0.000 0.980 362 Q CA 1.685 57.505 55.803 0.028 0.000 0.840 362 Q CB -1.101 27.680 28.738 0.071 0.000 0.898 362 Q HN 0.105 nan 8.270 nan 0.000 0.424 363 A N 0.277 123.102 122.820 0.009 0.000 2.415 363 A HA 0.119 4.439 4.320 -0.000 0.000 0.248 363 A C 0.374 177.871 177.584 -0.144 0.000 1.299 363 A CA -0.400 51.554 52.037 -0.138 0.000 0.899 363 A CB -0.028 18.902 19.000 -0.116 0.000 0.997 363 A HN 0.323 nan 8.150 nan 0.000 0.506 364 Q N -0.048 119.716 119.800 -0.061 0.000 2.471 364 Q HA 0.211 4.550 4.340 -0.000 0.000 0.223 364 Q C -0.023 175.924 176.000 -0.088 0.000 1.045 364 Q CA 0.441 56.217 55.803 -0.046 0.000 0.956 364 Q CB 0.356 29.081 28.738 -0.021 0.000 1.249 364 Q HN 0.473 nan 8.270 nan 0.000 0.549 365 D N -0.296 120.082 120.400 -0.036 0.000 2.911 365 D HA -0.149 4.491 4.640 -0.000 0.000 0.199 365 D C 0.076 176.344 176.300 -0.054 0.000 1.041 365 D CA 1.236 55.223 54.000 -0.022 0.000 1.013 365 D CB -1.234 39.548 40.800 -0.029 0.000 1.093 365 D HN 0.717 nan 8.370 nan 0.000 0.431 366 G N -0.452 108.268 108.800 -0.134 0.000 3.820 366 G HA2 0.451 4.410 3.960 -0.000 0.000 0.293 366 G HA3 0.451 4.410 3.960 -0.000 0.000 0.293 366 G C 1.288 176.165 174.900 -0.038 0.000 1.152 366 G CA 0.785 45.798 45.100 -0.146 0.000 0.921 366 G HN 0.719 nan 8.290 nan 0.000 0.544 367 G N -0.056 108.791 108.800 0.077 0.000 2.212 367 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.266 367 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.266 367 G C 1.192 176.289 174.900 0.329 0.000 0.978 367 G CA 0.768 45.977 45.100 0.183 0.000 0.632 367 G HN 0.548 nan 8.290 nan 0.000 0.537 368 Y N 0.329 120.694 120.300 0.108 0.000 2.062 368 Y HA -0.249 4.301 4.550 0.000 0.000 0.273 368 Y C 3.147 179.142 175.900 0.158 0.000 1.206 368 Y CA 1.151 59.318 58.100 0.112 0.000 1.125 368 Y CB -0.534 37.971 38.460 0.075 0.000 0.951 368 Y HN 0.391 nan 8.280 nan 0.000 0.501 369 G N -0.292 108.721 108.800 0.355 0.000 2.511 369 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.216 369 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.216 369 G C 1.184 176.422 174.900 0.563 0.000 1.218 369 G CA 1.310 46.602 45.100 0.321 0.000 0.788 369 G HN 0.412 nan 8.290 nan 0.000 0.560 370 E N -0.049 120.564 120.200 0.689 0.000 2.217 370 E HA -0.304 4.046 4.350 -0.000 0.000 0.219 370 E C 2.588 179.354 176.600 0.275 0.000 1.070 370 E CA 1.925 58.533 56.400 0.347 0.000 0.889 370 E CB -0.123 29.673 29.700 0.161 0.000 0.768 370 E HN 0.434 nan 8.360 nan 0.000 0.465 371 R N -0.619 120.032 120.500 0.253 0.000 2.092 371 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 371 R C 2.429 178.851 176.300 0.203 0.000 1.119 371 R CA 1.233 57.450 56.100 0.195 0.000 0.970 371 R CB -0.140 30.254 30.300 0.156 0.000 0.864 371 R HN 0.240 nan 8.270 nan 0.000 0.440 372 L N -0.106 121.244 121.223 0.212 0.000 2.023 372 L HA -0.155 4.185 4.340 -0.000 0.000 0.205 372 L C 2.238 179.281 176.870 0.288 0.000 1.073 372 L CA 0.557 55.528 54.840 0.218 0.000 0.745 372 L CB -0.544 41.617 42.059 0.169 0.000 0.900 372 L HN 0.194 nan 8.230 nan 0.000 0.435 373 L N 0.537 121.963 121.223 0.338 0.000 1.978 373 L HA -0.262 4.078 4.340 -0.000 0.000 0.218 373 L C 2.612 179.650 176.870 0.280 0.000 1.075 373 L CA 2.276 57.340 54.840 0.373 0.000 0.767 373 L CB -1.009 41.337 42.059 0.478 0.000 0.890 373 L HN 0.199 nan 8.230 nan 0.000 0.434 374 A N -1.219 121.745 122.820 0.241 0.000 1.849 374 A HA -0.361 3.959 4.320 -0.000 0.000 0.217 374 A C 2.254 179.942 177.584 0.173 0.000 1.202 374 A CA 2.101 54.247 52.037 0.181 0.000 0.629 374 A CB -1.400 17.693 19.000 0.155 0.000 0.834 374 A HN 0.799 nan 8.150 nan 0.000 0.447 375 H N 0.709 119.844 119.070 0.108 0.000 2.275 375 H HA -0.266 4.291 4.556 0.001 0.000 0.287 375 H C 1.849 177.229 175.328 0.086 0.000 1.097 375 H CA 3.088 59.189 56.048 0.088 0.000 1.169 375 H CB -0.746 29.066 29.762 0.084 0.000 1.349 375 H HN 0.592 nan 8.280 nan 0.000 0.501 376 I N 0.036 120.625 120.570 0.031 0.000 2.113 376 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 376 I C 2.674 178.774 176.117 -0.028 0.000 1.057 376 I CA 2.579 63.857 61.300 -0.036 0.000 1.314 376 I CB -0.868 37.179 38.000 0.078 0.000 1.022 376 I HN 0.581 nan 8.210 nan 0.000 0.408 377 I N 0.750 121.354 120.570 0.057 0.000 2.264 377 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 377 I C 1.935 178.051 176.117 -0.001 0.000 1.111 377 I CA 2.100 63.426 61.300 0.044 0.000 1.382 377 I CB -0.796 37.245 38.000 0.068 0.000 1.060 377 I HN 0.289 nan 8.210 nan 0.000 0.418 378 D N 1.712 122.100 120.400 -0.020 0.000 2.116 378 D HA -0.281 4.359 4.640 -0.000 0.000 0.193 378 D C 2.096 178.351 176.300 -0.075 0.000 0.998 378 D CA 2.135 56.112 54.000 -0.040 0.000 0.836 378 D CB -0.296 40.481 40.800 -0.038 0.000 0.951 378 D HN 0.581 nan 8.370 nan 0.000 0.449 379 K N 0.869 121.177 120.400 -0.154 0.000 2.025 379 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 379 K C 2.094 178.654 176.600 -0.066 0.000 1.049 379 K CA 1.333 57.540 56.287 -0.132 0.000 0.933 379 K CB -0.125 32.250 32.500 -0.208 0.000 0.714 379 K HN -0.003 nan 8.250 nan 0.000 0.438 380 A N 1.809 124.601 122.820 -0.046 0.000 2.032 380 A HA -0.209 4.111 4.320 -0.000 0.000 0.221 380 A C 2.164 179.742 177.584 -0.010 0.000 1.165 380 A CA 1.797 53.826 52.037 -0.014 0.000 0.645 380 A CB -0.603 18.406 19.000 0.016 0.000 0.807 380 A HN 0.531 nan 8.150 nan 0.000 0.453 381 R N -0.799 119.692 120.500 -0.015 0.000 2.173 381 R HA 0.033 4.373 4.340 -0.000 0.000 0.208 381 R C 2.011 178.304 176.300 -0.012 0.000 1.035 381 R CA 1.072 57.166 56.100 -0.010 0.000 1.004 381 R CB -0.517 29.781 30.300 -0.003 0.000 0.917 381 R HN 0.370 nan 8.270 nan 0.000 0.462 382 G N 1.733 110.523 108.800 -0.017 0.000 2.598 382 G HA2 -0.077 3.882 3.960 -0.000 0.000 0.215 382 G HA3 -0.077 3.882 3.960 -0.000 0.000 0.215 382 G C 1.266 176.159 174.900 -0.011 0.000 1.131 382 G CA 0.473 45.566 45.100 -0.012 0.000 0.785 382 G HN 0.514 nan 8.290 nan 0.000 0.539 383 I N -3.060 117.502 120.570 -0.013 0.000 3.856 383 I HA 0.482 4.651 4.170 -0.000 0.000 0.333 383 I C 1.149 177.262 176.117 -0.007 0.000 1.525 383 I CA 0.150 61.444 61.300 -0.011 0.000 1.173 383 I CB -0.129 37.862 38.000 -0.015 0.000 1.175 383 I HN 0.103 nan 8.210 nan 0.000 0.424 384 G N 2.402 111.197 108.800 -0.008 0.000 2.153 384 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.252 384 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.252 384 G C 0.112 175.010 174.900 -0.003 0.000 0.994 384 G CA 0.219 45.314 45.100 -0.009 0.000 0.698 384 G HN 0.559 nan 8.290 nan 0.000 0.521 385 I N 1.575 122.147 120.570 0.004 0.000 2.471 385 I HA 0.283 4.453 4.170 -0.000 0.000 0.286 385 I C 1.536 177.655 176.117 0.004 0.000 1.079 385 I CA 0.676 61.987 61.300 0.019 0.000 1.398 385 I CB 1.321 39.343 38.000 0.037 0.000 1.403 385 I HN 0.259 nan 8.210 nan 0.000 0.530 386 S N 5.323 121.024 115.700 0.002 0.000 2.604 386 S HA 0.307 4.777 4.470 -0.000 0.000 0.235 386 S C 0.569 175.143 174.600 -0.042 0.000 1.043 386 S CA -0.552 57.629 58.200 -0.031 0.000 0.997 386 S CB 0.425 63.596 63.200 -0.049 0.000 0.956 386 S HN 0.588 nan 8.310 nan 0.000 0.535 387 R N 0.773 121.266 120.500 -0.012 0.000 2.476 387 R HA 0.582 4.922 4.340 -0.000 0.000 0.305 387 R C -2.024 174.267 176.300 -0.014 0.000 0.965 387 R CA -0.630 55.430 56.100 -0.066 0.000 0.867 387 R CB 1.938 32.217 30.300 -0.034 0.000 1.176 387 R HN 0.199 nan 8.270 nan 0.000 0.447 388 L N 4.078 125.238 121.223 -0.105 0.000 2.298 388 L HA 0.484 4.824 4.340 -0.000 0.000 0.284 388 L C -1.184 175.690 176.870 0.005 0.000 1.013 388 L CA -0.232 54.632 54.840 0.040 0.000 0.824 388 L CB 0.689 42.794 42.059 0.076 0.000 1.221 388 L HN 0.429 nan 8.230 nan 0.000 0.418 389 F N 3.683 123.721 119.950 0.147 0.000 2.370 389 F HA 0.741 5.267 4.527 -0.001 0.000 0.324 389 F C 0.591 176.429 175.800 0.063 0.000 1.116 389 F CA 0.012 58.086 58.000 0.123 0.000 1.123 389 F CB 1.581 40.608 39.000 0.044 0.000 1.238 389 F HN 0.585 nan 8.300 nan 0.000 0.536 390 A N 2.734 125.583 122.820 0.048 0.000 2.456 390 A HA 0.721 5.040 4.320 -0.000 0.000 0.288 390 A C -1.780 175.650 177.584 -0.255 0.000 1.042 390 A CA -0.505 51.311 52.037 -0.368 0.000 0.738 390 A CB 0.759 18.897 19.000 -1.437 0.000 1.266 390 A HN 0.551 nan 8.150 nan 0.000 0.407 391 L N 1.135 122.298 121.223 -0.101 0.000 2.330 391 L HA 0.938 5.278 4.340 -0.000 0.000 0.271 391 L C 0.472 177.364 176.870 0.036 0.000 1.013 391 L CA -0.195 54.667 54.840 0.036 0.000 0.816 391 L CB 2.033 44.174 42.059 0.136 0.000 1.287 391 L HN 0.786 nan 8.230 nan 0.000 0.435 392 S N -0.737 115.019 115.700 0.094 0.000 2.580 392 S HA 0.324 4.794 4.470 -0.000 0.000 0.281 392 S C -0.095 174.521 174.600 0.026 0.000 1.129 392 S CA -0.106 58.145 58.200 0.085 0.000 0.862 392 S CB 1.569 64.871 63.200 0.169 0.000 1.090 392 S HN 0.686 nan 8.310 nan 0.000 0.451 393 T N 1.828 116.374 114.554 -0.014 0.000 3.000 393 T HA 0.327 4.677 4.350 -0.000 0.000 0.248 393 T C 0.627 175.251 174.700 -0.126 0.000 1.034 393 T CA 0.473 62.525 62.100 -0.080 0.000 1.060 393 T CB -0.185 68.662 68.868 -0.035 0.000 0.983 393 T HN 0.596 nan 8.240 nan 0.000 0.482 394 N N -0.269 118.393 118.700 -0.063 0.000 2.082 394 N HA 0.133 4.873 4.740 -0.000 0.000 0.228 394 N C 0.154 175.655 175.510 -0.015 0.000 1.341 394 N CA 0.258 53.277 53.050 -0.051 0.000 0.873 394 N CB 1.292 39.759 38.487 -0.033 0.000 1.137 394 N HN 0.213 nan 8.380 nan 0.000 0.505 395 T N -1.396 113.172 114.554 0.024 0.000 3.145 395 T HA 0.183 4.533 4.350 -0.000 0.000 0.281 395 T C 1.685 176.494 174.700 0.181 0.000 1.003 395 T CA 0.122 62.260 62.100 0.063 0.000 0.901 395 T CB 0.901 69.776 68.868 0.012 0.000 1.112 395 T HN 0.153 nan 8.240 nan 0.000 0.535 396 G N 3.028 111.944 108.800 0.194 0.000 2.513 396 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.219 396 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.219 396 G C 1.360 176.438 174.900 0.298 0.000 1.160 396 G CA 1.394 46.673 45.100 0.299 0.000 0.767 396 G HN 0.561 nan 8.290 nan 0.000 0.571 397 E N -0.481 119.842 120.200 0.205 0.000 2.110 397 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 397 E C 1.903 178.588 176.600 0.142 0.000 0.988 397 E CA 0.887 57.383 56.400 0.160 0.000 0.804 397 E CB -0.727 29.041 29.700 0.113 0.000 0.745 397 E HN 0.669 nan 8.360 nan 0.000 0.458 398 W N 0.515 121.752 121.300 -0.104 0.000 2.292 398 W HA -0.227 4.432 4.660 -0.001 0.000 0.304 398 W C 1.327 177.658 176.519 -0.314 0.000 1.228 398 W CA 1.900 59.083 57.345 -0.270 0.000 1.241 398 W CB -0.246 28.927 29.460 -0.478 0.000 1.142 398 W HN 0.082 nan 8.180 nan 0.000 0.520 399 F N -1.239 118.790 119.950 0.132 0.000 2.446 399 F HA 0.144 4.671 4.527 -0.000 0.000 0.292 399 F C 2.424 178.271 175.800 0.078 0.000 1.096 399 F CA 0.771 58.701 58.000 -0.117 0.000 1.438 399 F CB -1.161 37.500 39.000 -0.566 0.000 1.107 399 F HN -0.117 nan 8.300 nan 0.000 0.546 400 A N 0.110 123.090 122.820 0.267 0.000 1.933 400 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 400 A C 1.986 179.647 177.584 0.129 0.000 1.175 400 A CA 1.915 54.079 52.037 0.210 0.000 0.628 400 A CB -0.701 18.397 19.000 0.162 0.000 0.814 400 A HN 0.390 nan 8.150 nan 0.000 0.444 401 E N -1.245 118.987 120.200 0.053 0.000 2.274 401 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 401 E C 1.365 177.930 176.600 -0.059 0.000 0.996 401 E CA 0.515 56.898 56.400 -0.028 0.000 0.840 401 E CB 0.077 29.717 29.700 -0.099 0.000 0.772 401 E HN 0.460 nan 8.360 nan 0.000 0.491 402 R N -1.558 118.929 120.500 -0.021 0.000 2.700 402 R HA 0.213 4.553 4.340 -0.000 0.000 0.399 402 R C -0.141 176.278 176.300 0.199 0.000 1.115 402 R CA 0.483 56.557 56.100 -0.044 0.000 1.058 402 R CB 1.217 31.329 30.300 -0.314 0.000 1.389 402 R HN 0.180 nan 8.270 nan 0.000 0.582 403 G N -0.004 108.915 108.800 0.198 0.000 2.143 403 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.175 403 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.175 403 G C -0.237 174.658 174.900 -0.008 0.000 1.004 403 G CA -0.670 44.470 45.100 0.065 0.000 0.671 403 G HN 0.196 nan 8.290 nan 0.000 0.512 404 F N 0.634 120.611 119.950 0.045 0.000 2.443 404 F HA 0.683 5.210 4.527 0.001 0.000 0.335 404 F C 0.621 176.428 175.800 0.012 0.000 1.104 404 F CA -0.979 57.039 58.000 0.031 0.000 1.013 404 F CB 1.703 40.761 39.000 0.097 0.000 1.136 404 F HN -0.040 nan 8.300 nan 0.000 0.470 405 Q N 0.956 120.810 119.800 0.090 0.000 2.230 405 Q HA 0.259 4.599 4.340 -0.000 0.000 0.248 405 Q C 0.123 176.164 176.000 0.068 0.000 0.915 405 Q CA -0.561 55.275 55.803 0.056 0.000 0.900 405 Q CB 1.345 30.078 28.738 -0.009 0.000 1.229 405 Q HN 0.631 nan 8.270 nan 0.000 0.439 406 T N 0.303 114.892 114.554 0.059 0.000 2.946 406 T HA 0.386 4.736 4.350 -0.000 0.000 0.312 406 T C -0.381 174.328 174.700 0.016 0.000 1.066 406 T CA 0.324 62.447 62.100 0.039 0.000 1.138 406 T CB 0.091 68.966 68.868 0.011 0.000 1.014 406 T HN 0.612 nan 8.240 nan 0.000 0.544 407 A N 3.504 126.337 122.820 0.021 0.000 2.524 407 A HA 0.846 5.166 4.320 -0.000 0.000 0.286 407 A C 0.150 177.729 177.584 -0.008 0.000 1.203 407 A CA -0.368 51.682 52.037 0.021 0.000 0.736 407 A CB 1.366 20.412 19.000 0.076 0.000 1.322 407 A HN 1.270 nan 8.150 nan 0.000 0.424 408 S N -1.240 114.446 115.700 -0.023 0.000 2.766 408 S HA 0.487 4.957 4.470 -0.000 0.000 0.307 408 S C 0.673 175.180 174.600 -0.157 0.000 1.121 408 S CA 0.146 58.298 58.200 -0.079 0.000 0.980 408 S CB 1.199 64.361 63.200 -0.063 0.000 1.159 408 S HN 0.735 nan 8.310 nan 0.000 0.546 409 E N 0.290 120.349 120.200 -0.235 0.000 2.077 409 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 409 E C 0.727 177.191 176.600 -0.226 0.000 0.989 409 E CA 1.428 57.612 56.400 -0.360 0.000 0.800 409 E CB -0.175 29.352 29.700 -0.288 0.000 0.746 409 E HN 0.618 nan 8.360 nan 0.000 0.452 410 D N 0.253 120.569 120.400 -0.139 0.000 2.378 410 D HA -0.117 4.523 4.640 -0.000 0.000 0.222 410 D C 0.931 177.176 176.300 -0.092 0.000 0.980 410 D CA 0.779 54.719 54.000 -0.100 0.000 0.907 410 D CB 0.038 40.799 40.800 -0.065 0.000 0.899 410 D HN 0.387 nan 8.370 nan 0.000 0.527 411 E N -0.251 119.896 120.200 -0.088 0.000 2.452 411 E HA 0.106 4.455 4.350 -0.000 0.000 0.197 411 E C 0.671 177.196 176.600 -0.125 0.000 1.022 411 E CA -0.173 56.206 56.400 -0.035 0.000 0.890 411 E CB 0.741 30.481 29.700 0.066 0.000 0.918 411 E HN 0.223 nan 8.360 nan 0.000 0.496 412 L N 2.423 123.465 121.223 -0.301 0.000 2.464 412 L HA 0.151 4.491 4.340 -0.000 0.000 0.264 412 L C -2.085 174.429 176.870 -0.592 0.000 1.199 412 L CA -2.049 52.400 54.840 -0.652 0.000 0.818 412 L CB -0.318 41.408 42.059 -0.555 0.000 1.102 412 L HN -0.191 nan 8.230 nan 0.000 0.473 413 P HA -0.076 nan 4.420 nan 0.000 0.264 413 P C 0.362 177.408 177.300 -0.423 0.000 1.179 413 P CA 0.194 62.912 63.100 -0.636 0.000 0.763 413 P CB 0.486 31.515 31.700 -1.120 0.000 0.806 414 E N 1.566 121.620 120.200 -0.244 0.000 2.068 414 E HA -0.307 4.043 4.350 -0.000 0.000 0.207 414 E C 1.658 178.184 176.600 -0.123 0.000 1.032 414 E CA 2.668 58.978 56.400 -0.151 0.000 0.839 414 E CB -0.349 29.298 29.700 -0.090 0.000 0.758 414 E HN 0.682 nan 8.360 nan 0.000 0.457 415 T N -0.881 113.617 114.554 -0.094 0.000 2.684 415 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 415 T C 1.924 176.597 174.700 -0.045 0.000 1.036 415 T CA 1.544 63.625 62.100 -0.031 0.000 1.148 415 T CB -0.389 68.513 68.868 0.057 0.000 0.863 415 T HN 0.007 nan 8.240 nan 0.000 0.436 416 R N 1.303 121.712 120.500 -0.151 0.000 2.241 416 R HA 0.147 4.486 4.340 -0.000 0.000 0.224 416 R C 2.506 178.752 176.300 -0.090 0.000 1.101 416 R CA 1.120 57.140 56.100 -0.132 0.000 0.995 416 R CB -0.640 29.429 30.300 -0.386 0.000 0.870 416 R HN 0.606 nan 8.270 nan 0.000 0.463 417 R N -0.462 119.960 120.500 -0.130 0.000 2.080 417 R HA -0.039 4.301 4.340 -0.000 0.000 0.222 417 R C 1.566 177.880 176.300 0.022 0.000 1.107 417 R CA 1.032 57.083 56.100 -0.083 0.000 0.980 417 R CB -0.073 30.143 30.300 -0.140 0.000 0.879 417 R HN -0.071 nan 8.270 nan 0.000 0.439 418 K N 1.350 121.749 120.400 -0.001 0.000 2.000 418 K HA -0.183 4.137 4.320 -0.000 0.000 0.218 418 K C 1.561 178.190 176.600 0.049 0.000 1.053 418 K CA 2.389 58.690 56.287 0.023 0.000 0.946 418 K CB -0.501 32.004 32.500 0.008 0.000 0.723 418 K HN 0.224 nan 8.250 nan 0.000 0.446 419 D N -0.938 119.491 120.400 0.047 0.000 2.106 419 D HA -0.217 4.423 4.640 -0.000 0.000 0.191 419 D C 1.949 178.283 176.300 0.057 0.000 0.997 419 D CA 1.371 55.397 54.000 0.043 0.000 0.834 419 D CB -0.676 40.149 40.800 0.042 0.000 0.956 419 D HN 0.314 nan 8.370 nan 0.000 0.448 420 Y N 1.702 121.987 120.300 -0.026 0.000 2.102 420 Y HA -0.323 4.227 4.550 -0.000 0.000 0.280 420 Y C 2.599 178.494 175.900 -0.009 0.000 1.178 420 Y CA 2.074 60.163 58.100 -0.018 0.000 1.146 420 Y CB -0.122 38.317 38.460 -0.034 0.000 0.968 420 Y HN -0.179 nan 8.280 nan 0.000 0.504 421 R N -0.079 120.555 120.500 0.224 0.000 2.096 421 R HA -0.166 4.174 4.340 -0.000 0.000 0.240 421 R C 2.205 178.507 176.300 0.003 0.000 1.139 421 R CA 1.962 58.140 56.100 0.130 0.000 0.952 421 R CB -0.427 29.934 30.300 0.103 0.000 0.854 421 R HN 0.483 nan 8.270 nan 0.000 0.436 422 S N -1.447 114.248 115.700 -0.009 0.000 2.572 422 S HA 0.158 4.628 4.470 -0.000 0.000 0.228 422 S C 0.872 175.445 174.600 -0.046 0.000 0.963 422 S CA -0.397 57.790 58.200 -0.021 0.000 0.939 422 S CB 0.097 63.296 63.200 -0.002 0.000 0.804 422 S HN 0.272 nan 8.310 nan 0.000 0.480 423 N N 2.050 120.694 118.700 -0.093 0.000 2.028 423 N HA 0.146 4.886 4.740 -0.000 0.000 0.194 423 N C 1.397 176.843 175.510 -0.107 0.000 1.050 423 N CA 1.503 54.482 53.050 -0.118 0.000 0.848 423 N CB -0.307 38.044 38.487 -0.226 0.000 1.038 423 N HN 0.633 nan 8.380 nan 0.000 0.423 424 G N -0.249 108.462 108.800 -0.149 0.000 2.175 424 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 424 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 424 G C 0.892 175.720 174.900 -0.120 0.000 0.982 424 G CA 0.393 45.429 45.100 -0.106 0.000 0.641 424 G HN 0.298 nan 8.290 nan 0.000 0.527 425 R N -0.254 120.134 120.500 -0.187 0.000 2.140 425 R HA 0.169 4.509 4.340 -0.000 0.000 0.213 425 R C 1.463 177.685 176.300 -0.130 0.000 1.059 425 R CA 0.521 56.538 56.100 -0.139 0.000 1.000 425 R CB -0.115 30.111 30.300 -0.123 0.000 0.910 425 R HN 0.272 nan 8.270 nan 0.000 0.455 426 N N 0.128 118.673 118.700 -0.258 0.000 2.753 426 N HA -0.148 4.592 4.740 -0.000 0.000 0.251 426 N C -1.025 174.574 175.510 0.149 0.000 1.097 426 N CA 0.989 54.005 53.050 -0.057 0.000 0.786 426 N CB -1.275 37.248 38.487 0.061 0.000 1.137 426 N HN 0.110 nan 8.380 nan 0.000 0.566 427 S N 0.120 115.856 115.700 0.061 0.000 2.605 427 S HA -0.163 4.307 4.470 -0.000 0.000 0.309 427 S C 0.410 175.255 174.600 0.409 0.000 1.257 427 S CA 0.247 58.562 58.200 0.191 0.000 1.033 427 S CB 0.152 63.459 63.200 0.179 0.000 0.742 427 S HN 0.273 nan 8.310 nan 0.000 0.487 428 H N 0.372 119.537 119.070 0.159 0.000 2.732 428 H HA 0.354 4.909 4.556 -0.000 0.000 0.351 428 H C 0.315 175.722 175.328 0.132 0.000 1.090 428 H CA -0.659 55.475 56.048 0.142 0.000 1.431 428 H CB 0.528 30.357 29.762 0.111 0.000 1.447 428 H HN 0.487 nan 8.280 nan 0.000 0.582 429 I N 3.086 123.777 120.570 0.202 0.000 2.377 429 I HA 0.342 4.512 4.170 -0.000 0.000 0.293 429 I C -1.629 174.561 176.117 0.122 0.000 0.987 429 I CA -0.236 61.150 61.300 0.143 0.000 1.185 429 I CB 0.599 38.651 38.000 0.087 0.000 1.341 429 I HN 0.336 nan 8.210 nan 0.000 0.455 430 L N 6.966 128.258 121.223 0.115 0.000 2.341 430 L HA 0.892 5.232 4.340 -0.000 0.000 0.254 430 L C -0.838 176.077 176.870 0.076 0.000 1.040 430 L CA -0.805 54.105 54.840 0.116 0.000 0.837 430 L CB 2.013 44.173 42.059 0.167 0.000 1.425 430 L HN 0.484 nan 8.230 nan 0.000 0.414 431 V N -0.708 119.217 119.914 0.019 0.000 3.188 431 V HA 0.725 4.845 4.120 -0.000 0.000 0.305 431 V C -1.014 174.851 176.094 -0.381 0.000 1.232 431 V CA -0.858 61.239 62.300 -0.339 0.000 1.043 431 V CB 2.278 33.662 31.823 -0.731 0.000 1.068 431 V HN 0.742 nan 8.190 nan 0.000 0.439 432 R N 0.867 120.997 120.500 -0.616 0.000 2.515 432 R HA 0.518 4.858 4.340 -0.000 0.000 0.278 432 R C -1.144 174.920 176.300 -0.393 0.000 1.107 432 R CA -0.768 54.920 56.100 -0.685 0.000 0.945 432 R CB 2.052 31.517 30.300 -1.391 0.000 1.219 432 R HN 0.869 nan 8.270 nan 0.000 0.434 433 R N 4.155 124.506 120.500 -0.248 0.000 2.298 433 R HA 0.317 4.657 4.340 -0.000 0.000 0.310 433 R C -0.157 176.095 176.300 -0.080 0.000 1.068 433 R CA -0.193 55.826 56.100 -0.135 0.000 0.957 433 R CB 0.687 30.945 30.300 -0.070 0.000 1.003 433 R HN 0.333 nan 8.270 nan 0.000 0.454 434 L N 2.329 123.515 121.223 -0.061 0.000 2.360 434 L HA 0.364 4.704 4.340 -0.000 0.000 0.271 434 L C 0.030 176.912 176.870 0.020 0.000 1.057 434 L CA -0.834 53.995 54.840 -0.018 0.000 0.803 434 L CB 1.088 43.132 42.059 -0.024 0.000 1.207 434 L HN 0.546 nan 8.230 nan 0.000 0.445 435 H N 1.820 120.865 119.070 -0.041 0.000 2.457 435 H HA 0.300 4.857 4.556 0.001 0.000 0.335 435 H C -0.226 175.090 175.328 -0.020 0.000 1.115 435 H CA -0.627 55.402 56.048 -0.031 0.000 1.219 435 H CB 1.065 30.809 29.762 -0.030 0.000 1.471 435 H HN 0.458 nan 8.280 nan 0.000 0.491 436 R N 0.000 120.409 120.500 -0.152 0.000 2.786 436 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 436 R CA 0.000 56.062 56.100 -0.064 0.000 0.921 436 R CB 0.000 30.240 30.300 -0.099 0.000 0.687 436 R HN 0.000 nan 8.270 nan 0.000 0.535