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 2ve3_1_A DATA FIRST_RESID 9 DATA SEQUENCE NSLPIPPGDF GLPWLGETLN FLNDGDFGKK RQQQFGPIFK TRLFGKNVIF DATA SEQUENCE ISGALANRFL FTKEQETFQA TWPLSTRILL GPNALATQMG EIHRSRRKIL DATA SEQUENCE YQAFLPRTLD SYLPKMDGIV QGYLEQWGKA NEVIWYPQLR RMTFDVAATL DATA SEQUENCE FMGEKVSQNP QLFPWFETYI QGLFSLPIPL PNTLFGKSQR ARALLLAELE DATA SEQUENCE KIIKARQQQP PSEEDALGIL LAARDDNNQP LSLPELKDQI LLLLFAGHET DATA SEQUENCE LTSALSSFCL LLGQHSDIRE RVRQEQNKLQ LSQELTAETL KKMPYLDQVL DATA SEQUENCE QEVLRLIPPV GGGFRELIQD CQFQGFHFPK GWLVSYQISQ THADPDLYPD DATA SEQUENCE PEKFDPERFT PDGSATHNPP FAHVPFGGGL RECLGKEFAR LEMKLFATRL DATA SEQUENCE IQQFDWTLLP GQNLELVVTP SPRPKDNLRV KLHSL 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 9 N HA 0.000 nan 4.740 nan 0.000 0.220 9 N C 0.000 175.432 175.510 -0.129 0.000 1.280 9 N CA 0.000 52.997 53.050 -0.088 0.000 0.885 9 N CB 0.000 38.448 38.487 -0.065 0.000 1.341 10 S N 1.278 116.922 115.700 -0.093 0.000 3.334 10 S HA 0.424 4.888 4.470 -0.010 0.000 0.188 10 S C 0.344 174.904 174.600 -0.067 0.000 1.404 10 S CA -0.544 57.603 58.200 -0.088 0.000 1.040 10 S CB -0.275 62.892 63.200 -0.057 0.000 1.352 10 S HN 0.292 nan 8.310 nan 0.000 0.501 11 L N 2.742 123.921 121.223 -0.074 0.000 2.344 11 L HA 0.580 4.914 4.340 -0.010 0.000 0.272 11 L C -1.939 174.966 176.870 0.057 0.000 1.035 11 L CA -2.347 52.484 54.840 -0.014 0.000 0.807 11 L CB 0.972 43.039 42.059 0.012 0.000 1.237 11 L HN 0.198 nan 8.230 nan 0.000 0.442 12 P HA 0.246 nan 4.420 nan 0.000 0.276 12 P C -0.793 176.680 177.300 0.290 0.000 1.252 12 P CA -0.428 62.771 63.100 0.164 0.000 0.802 12 P CB 0.972 32.770 31.700 0.165 0.000 1.035 13 I N -2.060 118.622 120.570 0.185 0.000 2.612 13 I HA 0.465 4.629 4.170 -0.010 0.000 0.295 13 I C -2.475 173.627 176.117 -0.025 0.000 1.011 13 I CA -2.993 58.335 61.300 0.047 0.000 1.326 13 I CB 0.170 38.112 38.000 -0.096 0.000 1.427 13 I HN 0.075 nan 8.210 nan 0.000 0.537 14 P HA 0.111 nan 4.420 nan 0.000 0.269 14 P C -2.470 174.604 177.300 -0.376 0.000 1.211 14 P CA -0.495 62.108 63.100 -0.827 0.000 0.781 14 P CB -0.305 30.916 31.700 -0.799 0.000 0.877 15 P HA 0.359 nan 4.420 nan 0.000 0.274 15 P C -0.253 176.720 177.300 -0.544 0.000 1.231 15 P CA 0.211 63.194 63.100 -0.195 0.000 0.790 15 P CB 0.803 32.564 31.700 0.101 0.000 0.951 16 G N 0.805 109.024 108.800 -0.968 0.000 2.329 16 G HA2 0.110 4.064 3.960 -0.010 0.000 0.308 16 G HA3 0.110 4.064 3.960 -0.010 0.000 0.308 16 G C -2.001 172.350 174.900 -0.914 0.000 1.587 16 G CA -0.754 43.435 45.100 -1.519 0.000 0.978 16 G HN 0.400 nan 8.290 nan 0.000 0.685 17 D N 0.672 120.654 120.400 -0.696 0.000 2.249 17 D HA 0.460 5.094 4.640 -0.010 0.000 0.246 17 D C 0.592 176.820 176.300 -0.120 0.000 1.114 17 D CA -0.432 53.401 54.000 -0.277 0.000 0.854 17 D CB 1.247 42.011 40.800 -0.059 0.000 1.132 17 D HN 0.099 nan 8.370 nan 0.000 0.461 18 F N 1.228 121.107 119.950 -0.118 0.000 2.512 18 F HA 0.144 4.664 4.527 -0.010 0.000 0.296 18 F C 1.993 177.740 175.800 -0.089 0.000 1.110 18 F CA 0.576 58.503 58.000 -0.122 0.000 1.446 18 F CB -0.637 38.284 39.000 -0.131 0.000 1.092 18 F HN 0.595 nan 8.300 nan 0.000 0.554 19 G N 0.873 109.750 108.800 0.127 0.000 2.569 19 G HA2 -0.305 3.649 3.960 -0.010 0.000 0.259 19 G HA3 -0.305 3.649 3.960 -0.010 0.000 0.259 19 G C -0.144 174.788 174.900 0.054 0.000 1.263 19 G CA -0.304 44.837 45.100 0.067 0.000 0.928 19 G HN 0.184 nan 8.290 nan 0.000 0.572 20 L N 2.080 123.323 121.223 0.033 0.000 2.483 20 L HA 0.309 4.643 4.340 -0.010 0.000 0.275 20 L C -1.554 175.328 176.870 0.020 0.000 1.220 20 L CA -1.207 53.651 54.840 0.030 0.000 0.833 20 L CB 0.191 42.270 42.059 0.032 0.000 1.102 20 L HN 0.368 nan 8.230 nan 0.000 0.490 21 P HA -0.089 nan 4.420 nan 0.000 0.266 21 P C -0.101 177.275 177.300 0.126 0.000 1.195 21 P CA 0.096 63.218 63.100 0.037 0.000 0.768 21 P CB 0.402 32.131 31.700 0.047 0.000 0.838 22 W N 1.859 123.085 121.300 -0.123 0.000 1.547 22 W HA -0.396 4.258 4.660 -0.010 0.000 0.296 22 W C 1.787 178.223 176.519 -0.139 0.000 1.824 22 W CA 2.210 59.478 57.345 -0.128 0.000 2.219 22 W CB -1.969 27.432 29.460 -0.099 0.000 0.963 22 W HN 0.328 nan 8.180 nan 0.000 0.450 23 L N 1.146 122.509 121.223 0.234 0.000 2.043 23 L HA 0.085 4.419 4.340 -0.010 0.000 0.212 23 L C 2.158 178.972 176.870 -0.094 0.000 1.075 23 L CA 3.754 58.646 54.840 0.086 0.000 0.752 23 L CB -1.379 40.733 42.059 0.088 0.000 0.891 23 L HN 0.845 nan 8.230 nan 0.000 0.432 24 G N -0.702 108.054 108.800 -0.072 0.000 2.634 24 G HA2 -0.416 3.538 3.960 -0.010 0.000 0.309 24 G HA3 -0.416 3.538 3.960 -0.010 0.000 0.309 24 G C 0.586 175.468 174.900 -0.030 0.000 1.265 24 G CA 0.614 45.668 45.100 -0.076 0.000 0.998 24 G HN 0.506 nan 8.290 nan 0.000 0.551 25 E N 0.680 120.875 120.200 -0.008 0.000 2.423 25 E HA 0.239 4.583 4.350 -0.010 0.000 0.198 25 E C 1.944 178.557 176.600 0.022 0.000 1.038 25 E CA 0.506 56.960 56.400 0.090 0.000 1.011 25 E CB 0.103 29.962 29.700 0.265 0.000 1.118 25 E HN 0.445 nan 8.360 nan 0.000 0.451 26 T N 1.244 115.697 114.554 -0.168 0.000 2.759 26 T HA -0.150 4.194 4.350 -0.010 0.000 0.269 26 T C 1.876 176.491 174.700 -0.141 0.000 1.042 26 T CA 0.931 62.823 62.100 -0.346 0.000 1.140 26 T CB -0.023 68.452 68.868 -0.655 0.000 0.864 26 T HN 0.230 nan 8.240 nan 0.000 0.455 27 L N 1.068 122.257 121.223 -0.057 0.000 2.093 27 L HA -0.073 4.261 4.340 -0.010 0.000 0.208 27 L C 2.580 179.478 176.870 0.047 0.000 1.085 27 L CA 0.902 55.741 54.840 -0.002 0.000 0.755 27 L CB -0.634 41.431 42.059 0.009 0.000 0.904 27 L HN 0.285 nan 8.230 nan 0.000 0.435 28 N N 0.141 118.908 118.700 0.112 0.000 2.106 28 N HA -0.210 4.524 4.740 -0.010 0.000 0.188 28 N C 1.881 177.501 175.510 0.184 0.000 1.029 28 N CA 1.343 54.523 53.050 0.218 0.000 0.848 28 N CB -0.429 38.285 38.487 0.377 0.000 1.007 28 N HN 0.184 nan 8.380 nan 0.000 0.423 29 F N 2.301 122.093 119.950 -0.264 0.000 2.091 29 F HA -0.117 4.404 4.527 -0.010 0.000 0.299 29 F C 2.138 177.827 175.800 -0.185 0.000 1.103 29 F CA 1.297 58.930 58.000 -0.611 0.000 1.228 29 F CB -0.346 38.238 39.000 -0.694 0.000 0.984 29 F HN -0.074 nan 8.300 nan 0.000 0.477 30 L N -0.431 120.758 121.223 -0.056 0.000 2.313 30 L HA -0.115 4.219 4.340 -0.010 0.000 0.214 30 L C 1.644 178.472 176.870 -0.071 0.000 1.119 30 L CA 0.849 55.654 54.840 -0.059 0.000 0.809 30 L CB -0.468 41.639 42.059 0.079 0.000 0.933 30 L HN 0.254 nan 8.230 nan 0.000 0.449 31 N N -1.611 117.065 118.700 -0.040 0.000 2.382 31 N HA 0.048 4.782 4.740 -0.010 0.000 0.200 31 N C -0.319 175.187 175.510 -0.006 0.000 1.122 31 N CA 0.088 53.129 53.050 -0.015 0.000 0.870 31 N CB 0.830 39.323 38.487 0.010 0.000 1.176 31 N HN 0.143 nan 8.380 nan 0.000 0.474 32 D N 0.099 120.512 120.400 0.023 0.000 2.280 32 D HA 0.248 4.882 4.640 -0.010 0.000 0.243 32 D C 1.162 177.487 176.300 0.040 0.000 1.129 32 D CA -0.160 53.872 54.000 0.052 0.000 0.848 32 D CB 1.402 42.273 40.800 0.118 0.000 1.107 32 D HN 0.105 nan 8.370 nan 0.000 0.471 33 G N 1.251 110.062 108.800 0.018 0.000 2.776 33 G HA2 -0.176 3.778 3.960 -0.010 0.000 0.209 33 G HA3 -0.176 3.778 3.960 -0.010 0.000 0.209 33 G C 0.950 175.879 174.900 0.049 0.000 1.145 33 G CA 0.085 45.192 45.100 0.013 0.000 0.791 33 G HN 0.368 nan 8.290 nan 0.000 0.530 34 D N -1.302 119.141 120.400 0.072 0.000 2.407 34 D HA 0.091 4.725 4.640 -0.010 0.000 0.208 34 D C 1.571 177.914 176.300 0.073 0.000 1.083 34 D CA -0.691 53.341 54.000 0.053 0.000 0.844 34 D CB 0.026 40.837 40.800 0.019 0.000 0.967 34 D HN 0.126 nan 8.370 nan 0.000 0.506 35 F N 0.877 120.827 119.950 -0.000 0.000 2.043 35 F HA -0.106 4.415 4.527 -0.010 0.000 0.297 35 F C 2.178 177.967 175.800 -0.018 0.000 1.121 35 F CA 2.428 60.431 58.000 0.005 0.000 1.199 35 F CB -0.445 38.605 39.000 0.083 0.000 0.968 35 F HN 0.042 nan 8.300 nan 0.000 0.478 36 G N -0.757 108.197 108.800 0.258 0.000 2.394 36 G HA2 -0.252 3.702 3.960 -0.010 0.000 0.215 36 G HA3 -0.252 3.702 3.960 -0.010 0.000 0.215 36 G C 1.648 176.599 174.900 0.086 0.000 1.165 36 G CA 0.741 46.009 45.100 0.281 0.000 0.784 36 G HN 0.382 nan 8.290 nan 0.000 0.535 37 K N 0.554 120.991 120.400 0.062 0.000 2.057 37 K HA -0.055 4.259 4.320 -0.010 0.000 0.207 37 K C 2.389 178.939 176.600 -0.083 0.000 1.049 37 K CA 1.511 57.811 56.287 0.021 0.000 0.931 37 K CB -0.193 32.329 32.500 0.036 0.000 0.714 37 K HN 0.250 nan 8.250 nan 0.000 0.440 38 K N 0.478 120.789 120.400 -0.150 0.000 2.032 38 K HA -0.176 4.138 4.320 -0.010 0.000 0.209 38 K C 2.038 178.440 176.600 -0.332 0.000 1.048 38 K CA 1.692 57.848 56.287 -0.219 0.000 0.927 38 K CB 0.032 32.398 32.500 -0.223 0.000 0.712 38 K HN 0.079 nan 8.250 nan 0.000 0.441 39 R N -0.199 119.980 120.500 -0.534 0.000 2.236 39 R HA -0.029 4.305 4.340 -0.010 0.000 0.208 39 R C 2.284 178.304 176.300 -0.468 0.000 1.036 39 R CA 0.802 56.476 56.100 -0.710 0.000 1.001 39 R CB 0.056 29.322 30.300 -1.724 0.000 0.896 39 R HN 0.285 nan 8.270 nan 0.000 0.464 40 Q N 0.228 119.887 119.800 -0.236 0.000 2.083 40 Q HA -0.109 4.225 4.340 -0.010 0.000 0.198 40 Q C 1.953 177.948 176.000 -0.010 0.000 0.969 40 Q CA 1.242 57.067 55.803 0.038 0.000 0.838 40 Q CB 0.307 29.126 28.738 0.135 0.000 0.900 40 Q HN 0.261 nan 8.270 nan 0.000 0.436 41 Q N -0.002 119.751 119.800 -0.078 0.000 2.020 41 Q HA -0.251 4.083 4.340 -0.010 0.000 0.202 41 Q C 2.065 177.962 176.000 -0.171 0.000 0.982 41 Q CA 1.770 57.515 55.803 -0.095 0.000 0.838 41 Q CB -0.188 28.488 28.738 -0.103 0.000 0.899 41 Q HN 0.492 nan 8.270 nan 0.000 0.423 42 Q N -0.733 118.880 119.800 -0.311 0.000 2.119 42 Q HA -0.132 4.202 4.340 -0.010 0.000 0.201 42 Q C 1.245 176.845 176.000 -0.666 0.000 0.972 42 Q CA 1.304 56.768 55.803 -0.565 0.000 0.847 42 Q CB 0.180 28.410 28.738 -0.847 0.000 0.903 42 Q HN 0.250 nan 8.270 nan 0.000 0.433 43 F N -1.392 118.477 119.950 -0.136 0.000 2.637 43 F HA 0.418 4.939 4.527 -0.010 0.000 0.284 43 F C 1.004 176.811 175.800 0.011 0.000 1.105 43 F CA 0.652 58.607 58.000 -0.075 0.000 1.356 43 F CB 1.099 40.033 39.000 -0.110 0.000 1.096 43 F HN 0.184 nan 8.300 nan 0.000 0.616 44 G N 0.467 109.378 108.800 0.185 0.000 2.408 44 G HA2 -0.049 3.905 3.960 -0.010 0.000 0.682 44 G HA3 -0.049 3.905 3.960 -0.010 0.000 0.682 44 G C -2.335 172.715 174.900 0.251 0.000 1.303 44 G CA -0.482 44.730 45.100 0.187 0.000 0.966 44 G HN -0.175 nan 8.290 nan 0.000 0.560 45 P HA 0.037 nan 4.420 nan 0.000 0.220 45 P C 0.778 178.237 177.300 0.264 0.000 1.148 45 P CA 1.122 64.368 63.100 0.242 0.000 0.803 45 P CB 0.181 32.001 31.700 0.199 0.000 0.782 46 I N 0.376 121.083 120.570 0.228 0.000 2.382 46 I HA 0.321 4.485 4.170 -0.010 0.000 0.286 46 I C -0.261 175.860 176.117 0.007 0.000 1.002 46 I CA -1.264 60.101 61.300 0.108 0.000 1.135 46 I CB 1.075 39.152 38.000 0.128 0.000 1.288 46 I HN -0.198 nan 8.210 nan 0.000 0.448 47 F N 5.454 125.371 119.950 -0.055 0.000 2.603 47 F HA 0.773 5.294 4.527 -0.010 0.000 0.317 47 F C -0.922 174.787 175.800 -0.152 0.000 1.066 47 F CA -1.143 56.758 58.000 -0.166 0.000 0.941 47 F CB 1.350 40.276 39.000 -0.123 0.000 1.291 47 F HN 0.337 nan 8.300 nan 0.000 0.472 48 K N 0.960 121.347 120.400 -0.022 0.000 2.208 48 K HA 0.821 5.135 4.320 -0.010 0.000 0.247 48 K C -1.221 175.421 176.600 0.069 0.000 0.953 48 K CA -0.509 55.786 56.287 0.013 0.000 0.837 48 K CB 2.164 34.659 32.500 -0.007 0.000 1.131 48 K HN 0.981 nan 8.250 nan 0.000 0.431 49 T N -0.154 114.530 114.554 0.218 0.000 2.645 49 T HA 0.401 4.745 4.350 -0.010 0.000 0.300 49 T C -1.744 173.114 174.700 0.263 0.000 1.210 49 T CA -0.995 61.253 62.100 0.247 0.000 1.034 49 T CB 1.502 70.541 68.868 0.285 0.000 1.537 49 T HN 0.746 nan 8.240 nan 0.000 0.492 50 R N 1.536 122.101 120.500 0.107 0.000 2.532 50 R HA 0.739 5.073 4.340 -0.010 0.000 0.297 50 R C -1.816 174.352 176.300 -0.220 0.000 0.984 50 R CA -0.639 55.351 56.100 -0.184 0.000 0.884 50 R CB 0.850 30.943 30.300 -0.346 0.000 1.182 50 R HN 0.565 nan 8.270 nan 0.000 0.442 51 L N 5.653 126.690 121.223 -0.309 0.000 2.436 51 L HA 0.508 4.842 4.340 -0.010 0.000 0.268 51 L C -0.502 176.117 176.870 -0.419 0.000 0.974 51 L CA -0.917 53.677 54.840 -0.410 0.000 0.826 51 L CB 1.826 43.686 42.059 -0.332 0.000 1.291 51 L HN 0.758 nan 8.230 nan 0.000 0.406 52 F N 2.183 121.747 119.950 -0.643 0.000 3.048 52 F HA -0.243 4.278 4.527 -0.010 0.000 0.269 52 F C 1.482 176.387 175.800 -1.491 0.000 0.960 52 F CA 0.997 58.420 58.000 -0.962 0.000 0.909 52 F CB -1.764 36.912 39.000 -0.540 0.000 0.837 52 F HN 0.915 nan 8.300 nan 0.000 0.768 53 G N -1.179 106.648 108.800 -1.623 0.000 2.184 53 G HA2 -0.321 3.633 3.960 -0.010 0.000 0.264 53 G HA3 -0.321 3.633 3.960 -0.010 0.000 0.264 53 G C 0.273 174.733 174.900 -0.733 0.000 0.975 53 G CA 0.305 44.477 45.100 -1.546 0.000 0.642 53 G HN 0.391 nan 8.290 nan 0.000 0.536 54 K N 0.644 120.699 120.400 -0.575 0.000 2.221 54 K HA 0.377 4.691 4.320 -0.010 0.000 0.258 54 K C -0.379 175.913 176.600 -0.512 0.000 0.944 54 K CA -1.017 54.999 56.287 -0.450 0.000 0.823 54 K CB 1.095 33.415 32.500 -0.300 0.000 1.113 54 K HN 0.108 nan 8.250 nan 0.000 0.431 55 N N 1.462 119.737 118.700 -0.709 0.000 2.475 55 N HA 0.132 4.866 4.740 -0.010 0.000 0.267 55 N C -0.534 174.727 175.510 -0.415 0.000 1.169 55 N CA -0.046 52.460 53.050 -0.906 0.000 0.947 55 N CB 0.767 38.105 38.487 -1.914 0.000 1.061 55 N HN 0.177 nan 8.380 nan 0.000 0.466 56 V N 3.413 123.263 119.914 -0.107 0.000 2.588 56 V HA 0.467 4.581 4.120 -0.010 0.000 0.304 56 V C 0.268 176.492 176.094 0.217 0.000 1.042 56 V CA -0.781 61.587 62.300 0.114 0.000 0.877 56 V CB 1.878 33.828 31.823 0.212 0.000 0.996 56 V HN 0.434 nan 8.190 nan 0.000 0.425 57 I N 4.295 124.959 120.570 0.156 0.000 2.321 57 I HA 0.428 4.592 4.170 -0.010 0.000 0.291 57 I C -0.724 175.388 176.117 -0.007 0.000 0.998 57 I CA -0.141 61.166 61.300 0.011 0.000 1.227 57 I CB 1.118 38.968 38.000 -0.250 0.000 1.368 57 I HN 0.452 nan 8.210 nan 0.000 0.466 58 F N 7.197 126.840 119.950 -0.512 0.000 2.411 58 F HA 0.506 5.027 4.527 -0.010 0.000 0.350 58 F C 0.533 176.119 175.800 -0.356 0.000 1.114 58 F CA -0.709 56.962 58.000 -0.549 0.000 1.135 58 F CB 1.083 39.438 39.000 -1.075 0.000 1.120 58 F HN 0.337 nan 8.300 nan 0.000 0.495 59 I N 0.446 120.998 120.570 -0.029 0.000 3.002 59 I HA 0.890 5.054 4.170 -0.010 0.000 0.310 59 I C -0.747 175.417 176.117 0.077 0.000 1.087 59 I CA -0.663 60.692 61.300 0.091 0.000 1.017 59 I CB 2.393 40.480 38.000 0.145 0.000 1.226 59 I HN 0.521 nan 8.210 nan 0.000 0.443 60 S N 1.582 117.365 115.700 0.139 0.000 2.643 60 S HA 0.932 5.396 4.470 -0.010 0.000 0.270 60 S C -0.274 174.427 174.600 0.168 0.000 1.166 60 S CA -0.260 58.023 58.200 0.139 0.000 0.815 60 S CB 0.949 64.247 63.200 0.163 0.000 1.139 60 S HN 2.458 nan 8.310 nan 0.000 0.472 61 G N -0.095 108.813 108.800 0.180 0.000 2.699 61 G HA2 0.412 4.366 3.960 -0.010 0.000 0.686 61 G HA3 0.412 4.366 3.960 -0.010 0.000 0.686 61 G C 0.735 175.743 174.900 0.181 0.000 1.301 61 G CA -0.033 45.183 45.100 0.193 0.000 0.816 61 G HN 1.929 nan 8.290 nan 0.000 0.595 62 A N -0.017 122.920 122.820 0.195 0.000 1.892 62 A HA 0.007 4.320 4.320 -0.010 0.000 0.218 62 A C 2.658 180.357 177.584 0.192 0.000 1.188 62 A CA 2.364 54.535 52.037 0.223 0.000 0.631 62 A CB -0.390 18.727 19.000 0.196 0.000 0.822 62 A HN 1.141 nan 8.150 nan 0.000 0.447 63 L N -1.240 120.094 121.223 0.184 0.000 2.109 63 L HA -0.149 4.185 4.340 -0.010 0.000 0.207 63 L C 3.098 180.038 176.870 0.116 0.000 1.086 63 L CA 1.136 56.097 54.840 0.203 0.000 0.760 63 L CB -0.753 41.467 42.059 0.268 0.000 0.910 63 L HN 0.479 nan 8.230 nan 0.000 0.437 64 A N 0.284 123.158 122.820 0.089 0.000 1.930 64 A HA -0.184 4.130 4.320 -0.010 0.000 0.217 64 A C 1.981 179.339 177.584 -0.376 0.000 1.175 64 A CA 1.597 53.482 52.037 -0.253 0.000 0.627 64 A CB -0.448 18.541 19.000 -0.018 0.000 0.815 64 A HN 0.416 nan 8.150 nan 0.000 0.443 65 N N -0.372 118.145 118.700 -0.304 0.000 2.188 65 N HA -0.127 4.607 4.740 -0.010 0.000 0.184 65 N C 1.798 176.779 175.510 -0.883 0.000 1.018 65 N CA 1.266 53.939 53.050 -0.628 0.000 0.858 65 N CB -0.474 37.906 38.487 -0.179 0.000 0.989 65 N HN 0.625 nan 8.380 nan 0.000 0.426 66 R N 0.113 120.350 120.500 -0.438 0.000 2.070 66 R HA -0.140 4.194 4.340 -0.010 0.000 0.233 66 R C 2.116 178.212 176.300 -0.339 0.000 1.137 66 R CA 1.219 57.111 56.100 -0.346 0.000 0.945 66 R CB -0.569 29.789 30.300 0.097 0.000 0.845 66 R HN 0.174 nan 8.270 nan 0.000 0.430 67 F N 1.401 121.088 119.950 -0.439 0.000 2.063 67 F HA -0.279 4.242 4.527 -0.010 0.000 0.298 67 F C 1.890 177.406 175.800 -0.472 0.000 1.109 67 F CA 1.803 59.533 58.000 -0.450 0.000 1.212 67 F CB -0.643 37.876 39.000 -0.802 0.000 0.973 67 F HN 0.140 nan 8.300 nan 0.000 0.480 68 L N -0.909 119.629 121.223 -1.142 0.000 2.217 68 L HA -0.054 4.280 4.340 -0.010 0.000 0.211 68 L C 0.894 177.113 176.870 -1.085 0.000 1.107 68 L CA 1.367 55.253 54.840 -1.591 0.000 0.783 68 L CB -0.670 40.389 42.059 -1.666 0.000 0.919 68 L HN 0.104 nan 8.230 nan 0.000 0.442 69 F N -1.236 118.309 119.950 -0.675 0.000 2.750 69 F HA 0.377 4.898 4.527 -0.010 0.000 0.297 69 F C 0.396 176.014 175.800 -0.303 0.000 1.138 69 F CA -0.679 57.005 58.000 -0.526 0.000 1.346 69 F CB -0.755 37.792 39.000 -0.754 0.000 0.965 69 F HN -0.225 nan 8.300 nan 0.000 0.514 70 T N -0.383 114.111 114.554 -0.100 0.000 2.893 70 T HA 0.295 4.639 4.350 -0.010 0.000 0.293 70 T C 0.067 174.762 174.700 -0.008 0.000 1.027 70 T CA -1.117 60.972 62.100 -0.018 0.000 0.988 70 T CB 1.869 70.733 68.868 -0.006 0.000 1.043 70 T HN 0.115 nan 8.240 nan 0.000 0.461 71 K N 1.368 121.772 120.400 0.006 0.000 3.177 71 K HA -0.271 4.043 4.320 -0.010 0.000 0.266 71 K C 1.019 177.594 176.600 -0.041 0.000 0.937 71 K CA 0.705 56.982 56.287 -0.018 0.000 0.702 71 K CB -0.648 31.833 32.500 -0.031 0.000 1.365 71 K HN 0.751 nan 8.250 nan 0.000 0.466 72 E N 1.061 121.268 120.200 0.012 0.000 2.051 72 E HA -0.202 4.142 4.350 -0.010 0.000 0.189 72 E C 1.390 177.996 176.600 0.009 0.000 0.979 72 E CA 1.214 57.657 56.400 0.071 0.000 0.803 72 E CB 0.188 29.945 29.700 0.095 0.000 0.761 72 E HN 0.439 nan 8.360 nan 0.000 0.451 73 Q N 0.189 119.990 119.800 0.001 0.000 2.133 73 Q HA -0.211 4.123 4.340 -0.010 0.000 0.208 73 Q C 2.115 178.088 176.000 -0.045 0.000 0.991 73 Q CA 2.489 58.286 55.803 -0.009 0.000 0.867 73 Q CB -0.781 27.959 28.738 0.002 0.000 0.911 73 Q HN 0.485 nan 8.270 nan 0.000 0.417 74 E N -0.040 120.116 120.200 -0.074 0.000 2.478 74 E HA 0.046 4.390 4.350 -0.010 0.000 0.194 74 E C 1.516 178.008 176.600 -0.180 0.000 1.045 74 E CA 1.214 57.555 56.400 -0.099 0.000 0.868 74 E CB -0.178 29.473 29.700 -0.081 0.000 0.885 74 E HN 0.482 nan 8.360 nan 0.000 0.505 75 T N -1.181 113.200 114.554 -0.289 0.000 3.075 75 T HA 0.368 4.712 4.350 -0.010 0.000 0.251 75 T C -0.270 173.997 174.700 -0.721 0.000 0.979 75 T CA -0.128 61.609 62.100 -0.604 0.000 1.033 75 T CB 0.228 68.511 68.868 -0.975 0.000 1.104 75 T HN 0.265 nan 8.240 nan 0.000 0.473 76 F N 1.988 121.860 119.950 -0.130 0.000 2.482 76 F HA 0.639 5.160 4.527 -0.010 0.000 0.331 76 F C -0.034 175.706 175.800 -0.100 0.000 1.115 76 F CA -1.413 56.507 58.000 -0.134 0.000 0.955 76 F CB 1.766 40.643 39.000 -0.205 0.000 1.136 76 F HN -0.083 nan 8.300 nan 0.000 0.452 77 Q N 2.545 122.405 119.800 0.101 0.000 2.327 77 Q HA 0.743 5.077 4.340 -0.010 0.000 0.270 77 Q C -0.794 175.200 176.000 -0.010 0.000 1.022 77 Q CA -0.843 54.971 55.803 0.018 0.000 0.773 77 Q CB 1.727 30.467 28.738 0.002 0.000 1.251 77 Q HN 0.868 nan 8.270 nan 0.000 0.457 78 A N 3.161 125.943 122.820 -0.064 0.000 2.531 78 A HA 0.408 4.722 4.320 -0.010 0.000 0.236 78 A C 0.063 177.564 177.584 -0.139 0.000 1.062 78 A CA 0.567 52.529 52.037 -0.125 0.000 0.760 78 A CB 0.763 19.675 19.000 -0.147 0.000 0.995 78 A HN 0.753 nan 8.150 nan 0.000 0.501 79 T N 0.429 114.836 114.554 -0.245 0.000 2.762 79 T HA 0.626 4.970 4.350 -0.010 0.000 0.301 79 T C -1.869 172.573 174.700 -0.431 0.000 1.299 79 T CA -0.405 61.571 62.100 -0.207 0.000 1.005 79 T CB 0.630 69.434 68.868 -0.108 0.000 1.377 79 T HN 0.699 nan 8.240 nan 0.000 0.504 80 W N 0.788 122.029 121.300 -0.097 0.000 3.107 80 W HA 0.523 5.177 4.660 -0.010 0.000 0.331 80 W C -2.443 173.791 176.519 -0.475 0.000 1.204 80 W CA -2.040 55.172 57.345 -0.223 0.000 1.184 80 W CB 1.215 30.589 29.460 -0.144 0.000 1.421 80 W HN 0.507 nan 8.180 nan 0.000 0.544 81 P HA -0.138 nan 4.420 nan 0.000 0.266 81 P C 0.763 177.648 177.300 -0.692 0.000 1.186 81 P CA 0.111 62.672 63.100 -0.898 0.000 0.767 81 P CB 0.549 31.467 31.700 -1.303 0.000 0.820 82 L N 3.656 124.481 121.223 -0.663 0.000 2.043 82 L HA -0.262 4.072 4.340 -0.010 0.000 0.212 82 L C 2.165 178.845 176.870 -0.318 0.000 1.075 82 L CA 2.686 57.328 54.840 -0.330 0.000 0.752 82 L CB -1.557 40.428 42.059 -0.123 0.000 0.891 82 L HN 0.475 nan 8.230 nan 0.000 0.432 83 S N -2.388 113.038 115.700 -0.457 0.000 2.368 83 S HA -0.210 4.254 4.470 -0.010 0.000 0.225 83 S C 1.851 176.298 174.600 -0.255 0.000 1.030 83 S CA 1.633 59.627 58.200 -0.345 0.000 0.999 83 S CB -1.416 61.573 63.200 -0.352 0.000 0.844 83 S HN 0.580 nan 8.310 nan 0.000 0.459 84 T N 2.151 116.406 114.554 -0.498 0.000 2.746 84 T HA -0.026 4.318 4.350 -0.010 0.000 0.267 84 T C 1.997 176.518 174.700 -0.297 0.000 1.039 84 T CA 1.358 63.126 62.100 -0.554 0.000 1.142 84 T CB -0.297 68.097 68.868 -0.788 0.000 0.866 84 T HN 0.406 nan 8.240 nan 0.000 0.444 85 R N 0.406 120.796 120.500 -0.184 0.000 2.073 85 R HA 0.031 4.365 4.340 -0.010 0.000 0.234 85 R C 2.542 178.818 176.300 -0.039 0.000 1.134 85 R CA 1.329 57.392 56.100 -0.063 0.000 0.952 85 R CB -0.571 29.711 30.300 -0.030 0.000 0.850 85 R HN 0.394 nan 8.270 nan 0.000 0.433 86 I N 0.837 121.394 120.570 -0.021 0.000 2.208 86 I HA -0.314 3.850 4.170 -0.010 0.000 0.245 86 I C 2.145 178.268 176.117 0.011 0.000 1.097 86 I CA 1.423 62.747 61.300 0.039 0.000 1.363 86 I CB -0.224 37.878 38.000 0.169 0.000 1.051 86 I HN 0.178 nan 8.210 nan 0.000 0.413 87 L N -0.226 120.979 121.223 -0.031 0.000 2.240 87 L HA -0.113 4.221 4.340 -0.010 0.000 0.211 87 L C 2.410 179.293 176.870 0.022 0.000 1.106 87 L CA 0.714 55.513 54.840 -0.069 0.000 0.793 87 L CB -0.261 41.629 42.059 -0.282 0.000 0.927 87 L HN 0.240 nan 8.230 nan 0.000 0.446 88 L N -0.447 120.751 121.223 -0.040 0.000 2.093 88 L HA 0.060 4.394 4.340 -0.010 0.000 0.208 88 L C 1.038 177.930 176.870 0.036 0.000 1.085 88 L CA 0.732 55.583 54.840 0.018 0.000 0.755 88 L CB -0.576 41.466 42.059 -0.028 0.000 0.904 88 L HN 0.424 nan 8.230 nan 0.000 0.435 89 G N -1.250 107.562 108.800 0.019 0.000 2.663 89 G HA2 -0.134 3.820 3.960 -0.010 0.000 0.686 89 G HA3 -0.134 3.820 3.960 -0.010 0.000 0.686 89 G C -2.360 172.560 174.900 0.033 0.000 1.246 89 G CA -0.335 44.776 45.100 0.020 0.000 0.795 89 G HN -0.025 nan 8.290 nan 0.000 0.627 90 P HA 0.019 nan 4.420 nan 0.000 0.233 90 P C 0.689 178.018 177.300 0.048 0.000 1.167 90 P CA 0.775 63.898 63.100 0.037 0.000 0.770 90 P CB 0.172 31.888 31.700 0.027 0.000 0.837 91 N N -0.126 118.600 118.700 0.044 0.000 2.321 91 N HA 0.255 4.989 4.740 -0.010 0.000 0.242 91 N C 0.131 175.679 175.510 0.063 0.000 1.141 91 N CA -0.063 53.016 53.050 0.049 0.000 0.864 91 N CB 0.799 39.306 38.487 0.033 0.000 1.100 91 N HN 0.104 nan 8.380 nan 0.000 0.510 92 A N 0.197 123.065 122.820 0.081 0.000 2.320 92 A HA 0.386 4.700 4.320 -0.010 0.000 0.334 92 A C 1.218 178.886 177.584 0.139 0.000 1.147 92 A CA -0.550 51.548 52.037 0.102 0.000 0.820 92 A CB 1.116 20.180 19.000 0.106 0.000 1.218 92 A HN 0.151 nan 8.150 nan 0.000 0.482 93 L N 2.405 123.721 121.223 0.155 0.000 2.042 93 L HA -0.148 4.186 4.340 -0.010 0.000 0.210 93 L C 2.552 179.593 176.870 0.286 0.000 1.076 93 L CA 2.977 57.947 54.840 0.218 0.000 0.749 93 L CB -0.604 41.566 42.059 0.185 0.000 0.893 93 L HN 0.819 nan 8.230 nan 0.000 0.432 94 A N -1.714 121.265 122.820 0.265 0.000 2.084 94 A HA -0.214 4.100 4.320 -0.010 0.000 0.221 94 A C 2.061 179.847 177.584 0.335 0.000 1.161 94 A CA 2.156 54.404 52.037 0.350 0.000 0.653 94 A CB -1.070 18.102 19.000 0.287 0.000 0.802 94 A HN 0.636 nan 8.150 nan 0.000 0.457 95 T N -3.683 111.005 114.554 0.223 0.000 3.040 95 T HA 0.322 4.666 4.350 -0.010 0.000 0.266 95 T C 0.432 175.205 174.700 0.121 0.000 1.005 95 T CA -0.296 61.904 62.100 0.168 0.000 0.906 95 T CB 0.032 68.975 68.868 0.125 0.000 1.082 95 T HN 0.465 nan 8.240 nan 0.000 0.531 96 Q N 1.051 120.939 119.800 0.147 0.000 2.230 96 Q HA 0.600 4.934 4.340 -0.010 0.000 0.248 96 Q C -0.604 175.453 176.000 0.096 0.000 0.915 96 Q CA -0.566 55.322 55.803 0.143 0.000 0.900 96 Q CB 1.070 29.927 28.738 0.199 0.000 1.229 96 Q HN 0.237 nan 8.270 nan 0.000 0.439 97 M N 0.496 120.150 119.600 0.089 0.000 2.644 97 M HA 0.447 4.921 4.480 -0.010 0.000 0.304 97 M C 0.628 176.992 176.300 0.106 0.000 1.215 97 M CA -0.286 55.040 55.300 0.043 0.000 0.871 97 M CB 0.920 33.531 32.600 0.018 0.000 1.740 97 M HN 0.846 nan 8.290 nan 0.000 0.464 98 G N 1.627 110.482 108.800 0.091 0.000 2.651 98 G HA2 -0.350 3.604 3.960 -0.010 0.000 0.315 98 G HA3 -0.350 3.604 3.960 -0.010 0.000 0.315 98 G C 0.818 175.787 174.900 0.116 0.000 1.258 98 G CA 1.104 46.260 45.100 0.094 0.000 1.002 98 G HN 0.871 nan 8.290 nan 0.000 0.551 99 E N 0.195 120.440 120.200 0.075 0.000 2.077 99 E HA -0.057 4.287 4.350 -0.010 0.000 0.193 99 E C 2.747 179.383 176.600 0.061 0.000 0.989 99 E CA 1.518 57.953 56.400 0.058 0.000 0.800 99 E CB -0.201 29.523 29.700 0.040 0.000 0.746 99 E HN 0.601 nan 8.360 nan 0.000 0.452 100 I N 0.717 121.330 120.570 0.072 0.000 2.179 100 I HA -0.307 3.857 4.170 -0.010 0.000 0.242 100 I C 2.765 178.938 176.117 0.094 0.000 1.088 100 I CA 1.523 62.867 61.300 0.073 0.000 1.357 100 I CB -0.632 37.412 38.000 0.074 0.000 1.051 100 I HN 0.349 nan 8.210 nan 0.000 0.409 101 H N 1.819 120.913 119.070 0.040 0.000 2.319 101 H HA -0.185 4.365 4.556 -0.010 0.000 0.299 101 H C 2.486 177.839 175.328 0.042 0.000 1.092 101 H CA 1.884 57.961 56.048 0.048 0.000 1.302 101 H CB 0.071 29.863 29.762 0.051 0.000 1.373 101 H HN 0.184 nan 8.280 nan 0.000 0.497 102 R N 0.036 120.521 120.500 -0.025 0.000 2.103 102 R HA -0.138 4.196 4.340 -0.010 0.000 0.242 102 R C 2.943 179.195 176.300 -0.080 0.000 1.142 102 R CA 1.633 57.688 56.100 -0.074 0.000 0.960 102 R CB -0.265 30.043 30.300 0.013 0.000 0.858 102 R HN 0.211 nan 8.270 nan 0.000 0.439 103 S N 0.035 115.716 115.700 -0.032 0.000 2.348 103 S HA -0.116 4.348 4.470 -0.010 0.000 0.221 103 S C 1.871 176.457 174.600 -0.023 0.000 1.033 103 S CA 1.035 59.226 58.200 -0.015 0.000 1.010 103 S CB 0.009 63.214 63.200 0.007 0.000 0.891 103 S HN 0.179 nan 8.310 nan 0.000 0.442 104 R N 1.018 121.499 120.500 -0.031 0.000 2.148 104 R HA 0.117 4.451 4.340 -0.010 0.000 0.227 104 R C 2.374 178.654 176.300 -0.033 0.000 1.103 104 R CA 1.109 57.200 56.100 -0.016 0.000 0.983 104 R CB -1.177 29.130 30.300 0.012 0.000 0.874 104 R HN 0.507 nan 8.270 nan 0.000 0.451 105 R N 1.577 122.003 120.500 -0.124 0.000 2.083 105 R HA -0.097 4.237 4.340 -0.010 0.000 0.237 105 R C 1.827 178.128 176.300 0.001 0.000 1.137 105 R CA 1.735 57.764 56.100 -0.118 0.000 0.951 105 R CB 0.014 30.142 30.300 -0.286 0.000 0.851 105 R HN 0.148 nan 8.270 nan 0.000 0.434 106 K N -0.229 120.171 120.400 0.001 0.000 2.103 106 K HA -0.059 4.254 4.320 -0.010 0.000 0.204 106 K C 2.090 178.747 176.600 0.095 0.000 1.052 106 K CA 1.394 57.721 56.287 0.067 0.000 0.945 106 K CB -0.084 32.437 32.500 0.035 0.000 0.722 106 K HN 0.223 nan 8.250 nan 0.000 0.443 107 I N 1.154 121.753 120.570 0.049 0.000 2.142 107 I HA -0.291 3.873 4.170 -0.010 0.000 0.240 107 I C 2.175 178.314 176.117 0.038 0.000 1.078 107 I CA 1.313 62.633 61.300 0.032 0.000 1.343 107 I CB -0.184 37.824 38.000 0.014 0.000 1.046 107 I HN 0.075 nan 8.210 nan 0.000 0.405 108 L N -0.762 120.502 121.223 0.069 0.000 2.093 108 L HA -0.242 4.092 4.340 -0.010 0.000 0.208 108 L C 2.612 179.602 176.870 0.201 0.000 1.085 108 L CA 1.111 56.010 54.840 0.098 0.000 0.755 108 L CB -0.714 41.421 42.059 0.126 0.000 0.904 108 L HN 0.247 nan 8.230 nan 0.000 0.435 109 Y N 0.946 121.314 120.300 0.113 0.000 2.241 109 Y HA -0.302 4.243 4.550 -0.009 0.000 0.286 109 Y C 2.611 178.575 175.900 0.107 0.000 1.166 109 Y CA 1.423 59.623 58.100 0.165 0.000 1.203 109 Y CB -0.279 38.228 38.460 0.079 0.000 0.977 109 Y HN 0.214 nan 8.280 nan 0.000 0.529 110 Q N -0.136 119.591 119.800 -0.122 0.000 2.297 110 Q HA -0.161 4.173 4.340 -0.010 0.000 0.208 110 Q C 2.402 178.226 176.000 -0.293 0.000 0.981 110 Q CA 1.272 56.930 55.803 -0.243 0.000 0.876 110 Q CB -0.615 28.050 28.738 -0.122 0.000 0.921 110 Q HN 0.642 nan 8.270 nan 0.000 0.446 111 A N -0.550 122.067 122.820 -0.340 0.000 2.119 111 A HA -0.044 4.270 4.320 -0.010 0.000 0.217 111 A C 0.797 177.935 177.584 -0.744 0.000 1.153 111 A CA 0.615 52.300 52.037 -0.587 0.000 0.692 111 A CB -0.171 18.328 19.000 -0.834 0.000 0.799 111 A HN 0.247 nan 8.150 nan 0.000 0.458 112 F N -0.454 119.421 119.950 -0.124 0.000 2.805 112 F HA 0.392 4.913 4.527 -0.010 0.000 0.317 112 F C 0.057 175.726 175.800 -0.218 0.000 1.146 112 F CA -0.749 57.223 58.000 -0.047 0.000 1.265 112 F CB -0.114 38.939 39.000 0.089 0.000 0.992 112 F HN -0.088 nan 8.300 nan 0.000 0.511 113 L N 2.060 123.123 121.223 -0.267 0.000 2.461 113 L HA 0.112 4.446 4.340 -0.010 0.000 0.272 113 L C -0.979 175.821 176.870 -0.117 0.000 1.197 113 L CA -1.478 53.194 54.840 -0.279 0.000 0.836 113 L CB 0.399 42.283 42.059 -0.290 0.000 1.105 113 L HN -0.076 nan 8.230 nan 0.000 0.477 114 P HA -0.212 nan 4.420 nan 0.000 0.218 114 P C 1.270 178.539 177.300 -0.051 0.000 1.154 114 P CA 1.671 64.759 63.100 -0.020 0.000 0.872 114 P CB 0.109 31.808 31.700 -0.002 0.000 0.790 115 R N -1.730 118.722 120.500 -0.080 0.000 2.119 115 R HA 0.026 4.360 4.340 -0.010 0.000 0.222 115 R C 2.137 178.346 176.300 -0.151 0.000 1.088 115 R CA 1.422 57.467 56.100 -0.093 0.000 0.984 115 R CB -0.820 29.432 30.300 -0.080 0.000 0.884 115 R HN 0.200 nan 8.270 nan 0.000 0.447 116 T N 1.538 115.963 114.554 -0.215 0.000 2.867 116 T HA -0.027 4.317 4.350 -0.010 0.000 0.268 116 T C 1.820 176.176 174.700 -0.573 0.000 1.057 116 T CA 0.830 62.703 62.100 -0.378 0.000 1.136 116 T CB -0.017 68.611 68.868 -0.400 0.000 0.874 116 T HN 0.118 nan 8.240 nan 0.000 0.466 117 L N 0.833 121.878 121.223 -0.297 0.000 2.056 117 L HA -0.086 4.248 4.340 -0.010 0.000 0.207 117 L C 2.414 179.254 176.870 -0.051 0.000 1.078 117 L CA 1.127 55.908 54.840 -0.098 0.000 0.749 117 L CB -0.624 41.491 42.059 0.093 0.000 0.901 117 L HN 0.128 nan 8.230 nan 0.000 0.433 118 D N -0.048 120.311 120.400 -0.068 0.000 2.149 118 D HA -0.178 4.456 4.640 -0.010 0.000 0.198 118 D C 2.364 178.641 176.300 -0.037 0.000 0.990 118 D CA 1.734 55.712 54.000 -0.037 0.000 0.839 118 D CB -0.139 40.637 40.800 -0.040 0.000 0.948 118 D HN 0.335 nan 8.370 nan 0.000 0.460 119 S N -0.702 114.938 115.700 -0.101 0.000 2.481 119 S HA -0.133 4.330 4.470 -0.010 0.000 0.231 119 S C 1.768 176.389 174.600 0.034 0.000 0.996 119 S CA 0.245 58.403 58.200 -0.069 0.000 0.942 119 S CB -0.460 62.668 63.200 -0.121 0.000 0.768 119 S HN 0.168 nan 8.310 nan 0.000 0.520 120 Y N 1.877 122.190 120.300 0.021 0.000 2.439 120 Y HA 0.255 4.799 4.550 -0.011 0.000 0.292 120 Y C 2.119 178.015 175.900 -0.007 0.000 1.130 120 Y CA -0.660 57.458 58.100 0.029 0.000 1.254 120 Y CB -0.737 37.775 38.460 0.087 0.000 1.000 120 Y HN 0.247 nan 8.280 nan 0.000 0.554 121 L N 0.088 121.393 121.223 0.135 0.000 1.971 121 L HA -0.237 4.097 4.340 -0.010 0.000 0.215 121 L C -0.185 176.706 176.870 0.034 0.000 1.072 121 L CA 1.882 56.756 54.840 0.057 0.000 0.758 121 L CB -1.863 40.214 42.059 0.030 0.000 0.889 121 L HN 0.163 nan 8.230 nan 0.000 0.433 122 P HA -0.192 nan 4.420 nan 0.000 0.215 122 P C 1.314 178.620 177.300 0.010 0.000 1.157 122 P CA 1.492 64.602 63.100 0.016 0.000 0.874 122 P CB 0.061 31.771 31.700 0.016 0.000 0.790 123 K N -1.304 119.106 120.400 0.017 0.000 2.097 123 K HA -0.028 4.286 4.320 -0.010 0.000 0.205 123 K C 2.195 178.783 176.600 -0.021 0.000 1.050 123 K CA 1.165 57.449 56.287 -0.005 0.000 0.938 123 K CB -0.833 31.664 32.500 -0.006 0.000 0.718 123 K HN 0.124 nan 8.250 nan 0.000 0.442 124 M N 0.673 120.261 119.600 -0.019 0.000 2.086 124 M HA -0.212 4.262 4.480 -0.010 0.000 0.261 124 M C 1.449 177.738 176.300 -0.019 0.000 1.067 124 M CA 1.973 57.247 55.300 -0.044 0.000 1.116 124 M CB -0.111 32.447 32.600 -0.069 0.000 1.348 124 M HN 0.054 nan 8.290 nan 0.000 0.407 125 D N -0.402 119.993 120.400 -0.008 0.000 2.178 125 D HA -0.079 4.555 4.640 -0.010 0.000 0.202 125 D C 1.872 178.172 176.300 0.000 0.000 0.974 125 D CA 1.643 55.644 54.000 0.001 0.000 0.841 125 D CB -0.319 40.481 40.800 0.000 0.000 0.953 125 D HN 0.493 nan 8.370 nan 0.000 0.478 126 G N 0.204 108.999 108.800 -0.007 0.000 2.402 126 G HA2 -0.181 3.773 3.960 -0.010 0.000 0.216 126 G HA3 -0.181 3.773 3.960 -0.010 0.000 0.216 126 G C 1.804 176.695 174.900 -0.016 0.000 1.162 126 G CA 0.632 45.722 45.100 -0.017 0.000 0.777 126 G HN 0.354 nan 8.290 nan 0.000 0.539 127 I N 0.232 120.802 120.570 0.001 0.000 2.252 127 I HA -0.127 4.037 4.170 -0.010 0.000 0.245 127 I C 2.766 178.954 176.117 0.119 0.000 1.102 127 I CA 0.364 61.692 61.300 0.048 0.000 1.385 127 I CB -0.217 37.806 38.000 0.038 0.000 1.064 127 I HN 0.017 nan 8.210 nan 0.000 0.414 128 V N 0.421 120.382 119.914 0.078 0.000 2.261 128 V HA -0.285 3.829 4.120 -0.010 0.000 0.246 128 V C 2.537 178.669 176.094 0.064 0.000 1.047 128 V CA 1.732 64.098 62.300 0.111 0.000 1.015 128 V CB -0.685 31.207 31.823 0.117 0.000 0.642 128 V HN 0.446 nan 8.190 nan 0.000 0.446 129 Q N 0.129 119.942 119.800 0.021 0.000 2.135 129 Q HA -0.159 4.175 4.340 -0.010 0.000 0.204 129 Q C 2.396 178.358 176.000 -0.062 0.000 0.981 129 Q CA 1.854 57.654 55.803 -0.005 0.000 0.856 129 Q CB -0.936 27.797 28.738 -0.008 0.000 0.902 129 Q HN 0.707 nan 8.270 nan 0.000 0.425 130 G N -0.189 108.554 108.800 -0.095 0.000 2.476 130 G HA2 -0.279 3.675 3.960 -0.010 0.000 0.218 130 G HA3 -0.279 3.675 3.960 -0.010 0.000 0.218 130 G C 1.170 175.846 174.900 -0.374 0.000 1.164 130 G CA 0.818 45.791 45.100 -0.210 0.000 0.768 130 G HN 0.329 nan 8.290 nan 0.000 0.560 131 Y N 0.372 120.404 120.300 -0.447 0.000 2.220 131 Y HA 0.085 4.631 4.550 -0.008 0.000 0.291 131 Y C 2.827 177.993 175.900 -1.223 0.000 1.129 131 Y CA 0.729 58.256 58.100 -0.956 0.000 1.161 131 Y CB -0.193 37.586 38.460 -1.135 0.000 0.997 131 Y HN 0.063 nan 8.280 nan 0.000 0.522 132 L N -0.105 120.843 121.223 -0.458 0.000 2.042 132 L HA -0.261 4.073 4.340 -0.010 0.000 0.210 132 L C 2.471 179.326 176.870 -0.025 0.000 1.076 132 L CA 1.903 56.683 54.840 -0.100 0.000 0.749 132 L CB -0.534 41.626 42.059 0.169 0.000 0.893 132 L HN 0.274 nan 8.230 nan 0.000 0.432 133 E N 0.001 120.174 120.200 -0.044 0.000 2.058 133 E HA -0.321 4.023 4.350 -0.010 0.000 0.194 133 E C 2.232 178.796 176.600 -0.060 0.000 0.997 133 E CA 1.613 58.015 56.400 0.003 0.000 0.801 133 E CB -0.141 29.531 29.700 -0.047 0.000 0.746 133 E HN 0.411 nan 8.360 nan 0.000 0.450 134 Q N -0.342 119.330 119.800 -0.214 0.000 2.030 134 Q HA -0.189 4.145 4.340 -0.010 0.000 0.204 134 Q C 1.894 177.864 176.000 -0.051 0.000 0.986 134 Q CA 1.988 57.677 55.803 -0.190 0.000 0.843 134 Q CB -0.229 28.312 28.738 -0.327 0.000 0.904 134 Q HN 0.500 nan 8.270 nan 0.000 0.420 135 W N -0.360 120.888 121.300 -0.087 0.000 2.388 135 W HA 0.028 4.685 4.660 -0.005 0.000 0.294 135 W C 2.195 178.536 176.519 -0.297 0.000 1.212 135 W CA 0.957 58.168 57.345 -0.223 0.000 1.271 135 W CB -1.239 28.023 29.460 -0.330 0.000 1.126 135 W HN 0.333 nan 8.180 nan 0.000 0.535 136 G N 0.488 109.254 108.800 -0.056 0.000 2.448 136 G HA2 -0.232 3.722 3.960 -0.010 0.000 0.219 136 G HA3 -0.232 3.722 3.960 -0.010 0.000 0.219 136 G C 1.662 176.638 174.900 0.126 0.000 1.127 136 G CA 0.728 45.850 45.100 0.038 0.000 0.766 136 G HN 0.229 nan 8.290 nan 0.000 0.552 137 K N 0.392 120.840 120.400 0.080 0.000 2.167 137 K HA 0.242 4.556 4.320 -0.010 0.000 0.203 137 K C 1.685 178.310 176.600 0.042 0.000 1.052 137 K CA 0.362 56.684 56.287 0.059 0.000 0.956 137 K CB -0.007 32.513 32.500 0.032 0.000 0.735 137 K HN 0.315 nan 8.250 nan 0.000 0.451 138 A N 1.640 124.479 122.820 0.031 0.000 2.366 138 A HA 0.011 4.325 4.320 -0.010 0.000 0.250 138 A C 0.649 178.234 177.584 0.002 0.000 1.099 138 A CA -0.184 51.863 52.037 0.017 0.000 0.794 138 A CB 0.243 19.255 19.000 0.019 0.000 1.056 138 A HN 0.162 nan 8.150 nan 0.000 0.499 139 N N -0.139 118.562 118.700 0.000 0.000 2.171 139 N HA -0.028 4.706 4.740 -0.010 0.000 0.209 139 N C 0.493 175.984 175.510 -0.032 0.000 1.036 139 N CA 1.019 54.070 53.050 0.000 0.000 1.042 139 N CB -0.288 38.205 38.487 0.011 0.000 1.280 139 N HN 0.774 nan 8.380 nan 0.000 0.548 140 E N 0.281 120.462 120.200 -0.030 0.000 2.344 140 E HA 0.187 4.531 4.350 -0.010 0.000 0.270 140 E C -1.126 175.413 176.600 -0.102 0.000 1.021 140 E CA -0.287 56.078 56.400 -0.059 0.000 0.887 140 E CB 0.539 30.224 29.700 -0.027 0.000 0.997 140 E HN 0.097 nan 8.360 nan 0.000 0.429 141 V N 6.860 126.654 119.914 -0.200 0.000 2.370 141 V HA 0.222 4.336 4.120 -0.010 0.000 0.283 141 V C 0.290 176.264 176.094 -0.201 0.000 1.023 141 V CA -0.615 61.517 62.300 -0.280 0.000 0.857 141 V CB 1.262 32.714 31.823 -0.617 0.000 0.985 141 V HN 0.668 nan 8.190 nan 0.000 0.443 142 I N 5.152 125.668 120.570 -0.090 0.000 2.357 142 I HA 0.025 4.189 4.170 -0.010 0.000 0.300 142 I C 0.789 176.929 176.117 0.039 0.000 1.159 142 I CA 0.087 61.388 61.300 0.003 0.000 1.339 142 I CB 0.159 38.183 38.000 0.040 0.000 1.458 142 I HN 0.787 nan 8.210 nan 0.000 0.577 143 W N 5.302 126.513 121.300 -0.149 0.000 2.409 143 W HA -0.203 4.450 4.660 -0.011 0.000 0.299 143 W C 2.231 178.634 176.519 -0.194 0.000 1.203 143 W CA 0.988 58.158 57.345 -0.292 0.000 1.298 143 W CB -0.489 28.780 29.460 -0.318 0.000 1.127 143 W HN 0.537 nan 8.180 nan 0.000 0.528 144 Y N 1.779 122.120 120.300 0.069 0.000 2.081 144 Y HA -0.230 4.314 4.550 -0.009 0.000 0.280 144 Y C -0.608 175.305 175.900 0.022 0.000 1.163 144 Y CA 2.655 60.744 58.100 -0.018 0.000 1.135 144 Y CB -1.723 36.731 38.460 -0.010 0.000 0.970 144 Y HN -0.143 nan 8.280 nan 0.000 0.498 145 P HA -0.155 nan 4.420 nan 0.000 0.218 145 P C 1.400 178.721 177.300 0.034 0.000 1.149 145 P CA 1.671 64.772 63.100 0.002 0.000 0.817 145 P CB -0.052 31.723 31.700 0.124 0.000 0.785 146 Q N -0.510 119.325 119.800 0.058 0.000 2.079 146 Q HA -0.067 4.267 4.340 -0.010 0.000 0.200 146 Q C 2.286 178.344 176.000 0.097 0.000 0.974 146 Q CA 1.258 57.165 55.803 0.173 0.000 0.840 146 Q CB -1.108 27.710 28.738 0.134 0.000 0.898 146 Q HN 0.341 nan 8.270 nan 0.000 0.430 147 L N 0.215 121.355 121.223 -0.137 0.000 2.083 147 L HA -0.179 4.155 4.340 -0.010 0.000 0.209 147 L C 2.592 179.343 176.870 -0.198 0.000 1.083 147 L CA 1.118 55.799 54.840 -0.266 0.000 0.752 147 L CB -0.321 41.441 42.059 -0.496 0.000 0.899 147 L HN 0.161 nan 8.230 nan 0.000 0.433 148 R N -0.391 120.005 120.500 -0.173 0.000 2.096 148 R HA -0.107 4.227 4.340 -0.010 0.000 0.235 148 R C 2.444 178.891 176.300 0.245 0.000 1.127 148 R CA 1.041 57.204 56.100 0.106 0.000 0.968 148 R CB -0.220 30.151 30.300 0.117 0.000 0.861 148 R HN 0.386 nan 8.270 nan 0.000 0.440 149 R N 0.302 120.768 120.500 -0.057 0.000 2.066 149 R HA -0.079 4.255 4.340 -0.010 0.000 0.232 149 R C 2.356 178.457 176.300 -0.333 0.000 1.131 149 R CA 1.336 57.177 56.100 -0.432 0.000 0.955 149 R CB -0.330 29.824 30.300 -0.243 0.000 0.851 149 R HN 0.239 nan 8.270 nan 0.000 0.432 150 M N 1.019 120.315 119.600 -0.506 0.000 2.065 150 M HA -0.185 4.289 4.480 -0.010 0.000 0.259 150 M C 2.302 178.429 176.300 -0.289 0.000 1.069 150 M CA 2.494 57.337 55.300 -0.761 0.000 1.110 150 M CB -0.339 31.781 32.600 -0.800 0.000 1.328 150 M HN 0.240 nan 8.290 nan 0.000 0.405 151 T N -1.380 113.096 114.554 -0.131 0.000 2.788 151 T HA -0.195 4.149 4.350 -0.010 0.000 0.268 151 T C 1.586 176.309 174.700 0.039 0.000 1.044 151 T CA 1.384 63.477 62.100 -0.012 0.000 1.139 151 T CB -1.056 67.856 68.868 0.073 0.000 0.867 151 T HN 0.464 nan 8.240 nan 0.000 0.454 152 F N 2.847 122.726 119.950 -0.118 0.000 2.102 152 F HA -0.031 4.490 4.527 -0.010 0.000 0.298 152 F C 1.772 177.409 175.800 -0.271 0.000 1.105 152 F CA 1.648 59.399 58.000 -0.415 0.000 1.239 152 F CB -0.668 38.011 39.000 -0.534 0.000 0.991 152 F HN 0.076 nan 8.300 nan 0.000 0.474 153 D N -0.149 120.116 120.400 -0.225 0.000 2.123 153 D HA -0.178 4.456 4.640 -0.010 0.000 0.196 153 D C 2.470 178.605 176.300 -0.275 0.000 0.992 153 D CA 1.629 55.495 54.000 -0.224 0.000 0.833 153 D CB -0.487 40.297 40.800 -0.027 0.000 0.954 153 D HN 0.219 nan 8.370 nan 0.000 0.455 154 V N 0.713 120.483 119.914 -0.241 0.000 2.307 154 V HA -0.204 3.910 4.120 -0.010 0.000 0.245 154 V C 2.383 178.233 176.094 -0.405 0.000 1.045 154 V CA 1.776 63.931 62.300 -0.240 0.000 1.024 154 V CB -0.740 30.987 31.823 -0.159 0.000 0.651 154 V HN 0.215 nan 8.190 nan 0.000 0.449 155 A N -0.008 122.521 122.820 -0.485 0.000 1.873 155 A HA -0.053 4.261 4.320 -0.010 0.000 0.215 155 A C 2.431 179.555 177.584 -0.766 0.000 1.186 155 A CA 1.954 53.528 52.037 -0.771 0.000 0.616 155 A CB -0.850 17.881 19.000 -0.448 0.000 0.823 155 A HN 0.542 nan 8.150 nan 0.000 0.442 156 A N -0.895 121.474 122.820 -0.750 0.000 1.877 156 A HA -0.103 4.211 4.320 -0.010 0.000 0.216 156 A C 2.322 179.685 177.584 -0.368 0.000 1.186 156 A CA 2.410 54.086 52.037 -0.601 0.000 0.620 156 A CB -1.349 17.172 19.000 -0.798 0.000 0.822 156 A HN 0.434 nan 8.150 nan 0.000 0.443 157 T N 0.396 114.734 114.554 -0.359 0.000 2.674 157 T HA -0.094 4.250 4.350 -0.010 0.000 0.265 157 T C 1.790 176.347 174.700 -0.239 0.000 1.039 157 T CA 1.623 63.579 62.100 -0.240 0.000 1.150 157 T CB -0.368 68.382 68.868 -0.196 0.000 0.864 157 T HN 0.354 nan 8.240 nan 0.000 0.427 158 L N -0.490 120.496 121.223 -0.396 0.000 2.240 158 L HA 0.086 4.420 4.340 -0.010 0.000 0.211 158 L C 1.985 178.700 176.870 -0.258 0.000 1.106 158 L CA 0.742 55.321 54.840 -0.436 0.000 0.793 158 L CB -0.269 41.340 42.059 -0.749 0.000 0.927 158 L HN 0.215 nan 8.230 nan 0.000 0.446 159 F N -1.344 118.450 119.950 -0.261 0.000 2.530 159 F HA 0.122 4.644 4.527 -0.009 0.000 0.292 159 F C 2.075 177.802 175.800 -0.122 0.000 1.109 159 F CA 0.527 58.402 58.000 -0.208 0.000 1.450 159 F CB -0.289 38.572 39.000 -0.231 0.000 1.114 159 F HN -0.021 nan 8.300 nan 0.000 0.560 160 M N -1.602 118.023 119.600 0.041 0.000 2.879 160 M HA 0.455 4.929 4.480 -0.010 0.000 0.241 160 M C 0.538 176.837 176.300 -0.002 0.000 1.523 160 M CA 0.687 55.998 55.300 0.019 0.000 1.195 160 M CB 1.236 33.838 32.600 0.004 0.000 1.277 160 M HN 0.018 nan 8.290 nan 0.000 0.557 161 G N -0.396 108.383 108.800 -0.035 0.000 2.321 161 G HA2 0.228 4.182 3.960 -0.010 0.000 0.339 161 G HA3 0.228 4.182 3.960 -0.010 0.000 0.339 161 G C -0.179 174.691 174.900 -0.049 0.000 1.518 161 G CA -0.120 44.962 45.100 -0.029 0.000 0.994 161 G HN 0.163 nan 8.290 nan 0.000 0.668 162 E N -0.341 119.835 120.200 -0.040 0.000 2.047 162 E HA 0.081 4.425 4.350 -0.010 0.000 0.191 162 E C 2.663 179.240 176.600 -0.038 0.000 0.987 162 E CA 2.802 59.175 56.400 -0.046 0.000 0.799 162 E CB -0.820 28.858 29.700 -0.037 0.000 0.752 162 E HN 1.871 nan 8.360 nan 0.000 0.449 163 K N 0.520 120.905 120.400 -0.024 0.000 2.211 163 K HA 0.149 4.463 4.320 -0.010 0.000 0.203 163 K C 2.506 179.100 176.600 -0.009 0.000 1.050 163 K CA 1.171 57.449 56.287 -0.016 0.000 0.945 163 K CB -1.041 31.454 32.500 -0.008 0.000 0.732 163 K HN 0.349 nan 8.250 nan 0.000 0.451 164 V N 0.889 120.797 119.914 -0.010 0.000 2.332 164 V HA -0.245 3.869 4.120 -0.010 0.000 0.248 164 V C 2.691 178.782 176.094 -0.004 0.000 1.055 164 V CA 2.317 64.618 62.300 0.001 0.000 1.038 164 V CB -0.464 31.355 31.823 -0.005 0.000 0.651 164 V HN 0.705 nan 8.190 nan 0.000 0.450 165 S N -0.030 115.646 115.700 -0.040 0.000 2.402 165 S HA -0.155 4.309 4.470 -0.010 0.000 0.229 165 S C 1.727 176.322 174.600 -0.009 0.000 1.021 165 S CA 1.529 59.696 58.200 -0.056 0.000 0.974 165 S CB -0.334 62.803 63.200 -0.106 0.000 0.800 165 S HN 0.751 nan 8.310 nan 0.000 0.484 166 Q N 1.031 120.823 119.800 -0.014 0.000 2.642 166 Q HA 0.385 4.719 4.340 -0.010 0.000 0.319 166 Q C -0.130 175.868 176.000 -0.003 0.000 1.030 166 Q CA 0.115 55.910 55.803 -0.013 0.000 0.943 166 Q CB -1.057 27.666 28.738 -0.026 0.000 1.323 166 Q HN 0.717 nan 8.270 nan 0.000 0.419 167 N N -0.627 118.083 118.700 0.016 0.000 2.732 167 N HA 0.332 5.066 4.740 -0.010 0.000 0.247 167 N C -2.767 172.737 175.510 -0.010 0.000 1.305 167 N CA -1.511 51.545 53.050 0.009 0.000 0.762 167 N CB 2.104 40.606 38.487 0.024 0.000 1.361 167 N HN 0.044 nan 8.380 nan 0.000 0.545 168 P HA 0.215 nan 4.420 nan 0.000 0.289 168 P C 0.440 177.650 177.300 -0.150 0.000 1.303 168 P CA 0.317 63.379 63.100 -0.064 0.000 0.946 168 P CB 0.883 32.545 31.700 -0.064 0.000 1.454 169 Q N -0.873 118.735 119.800 -0.320 0.000 2.384 169 Q HA 0.155 4.489 4.340 -0.010 0.000 0.207 169 Q C 1.493 177.022 176.000 -0.784 0.000 0.904 169 Q CA 0.003 55.358 55.803 -0.746 0.000 0.933 169 Q CB -0.047 27.950 28.738 -1.235 0.000 1.077 169 Q HN 0.084 nan 8.270 nan 0.000 0.522 170 L N -0.128 120.953 121.223 -0.237 0.000 2.056 170 L HA -0.128 4.205 4.340 -0.010 0.000 0.207 170 L C 1.863 178.754 176.870 0.035 0.000 1.078 170 L CA 1.626 56.545 54.840 0.132 0.000 0.749 170 L CB -0.514 41.767 42.059 0.370 0.000 0.901 170 L HN 0.193 nan 8.230 nan 0.000 0.433 171 F N 0.944 120.690 119.950 -0.340 0.000 2.084 171 F HA -0.080 4.442 4.527 -0.008 0.000 0.296 171 F C -0.521 175.099 175.800 -0.299 0.000 1.111 171 F CA 1.143 58.726 58.000 -0.695 0.000 1.224 171 F CB -1.724 37.005 39.000 -0.453 0.000 0.991 171 F HN 0.109 nan 8.300 nan 0.000 0.471 172 P HA -0.204 nan 4.420 nan 0.000 0.216 172 P C 1.448 178.704 177.300 -0.073 0.000 1.153 172 P CA 2.079 65.045 63.100 -0.223 0.000 0.858 172 P CB -0.363 31.216 31.700 -0.202 0.000 0.789 173 W N -1.528 119.718 121.300 -0.090 0.000 2.355 173 W HA -0.031 4.624 4.660 -0.009 0.000 0.309 173 W C 2.306 178.775 176.519 -0.085 0.000 1.206 173 W CA 0.504 57.805 57.345 -0.073 0.000 1.284 173 W CB -1.872 27.561 29.460 -0.045 0.000 1.145 173 W HN -0.068 nan 8.180 nan 0.000 0.502 174 F N 1.398 121.359 119.950 0.019 0.000 2.171 174 F HA -0.222 4.299 4.527 -0.009 0.000 0.300 174 F C 2.395 178.202 175.800 0.011 0.000 1.090 174 F CA 1.752 59.756 58.000 0.007 0.000 1.293 174 F CB -0.307 38.598 39.000 -0.160 0.000 1.013 174 F HN -0.188 nan 8.300 nan 0.000 0.486 175 E N -0.537 119.644 120.200 -0.031 0.000 2.077 175 E HA -0.162 4.182 4.350 -0.010 0.000 0.193 175 E C 2.226 178.825 176.600 -0.001 0.000 0.989 175 E CA 1.871 58.219 56.400 -0.087 0.000 0.800 175 E CB -0.938 28.561 29.700 -0.335 0.000 0.746 175 E HN 0.347 nan 8.360 nan 0.000 0.452 176 T N 0.984 115.546 114.554 0.013 0.000 2.777 176 T HA -0.169 4.175 4.350 -0.010 0.000 0.266 176 T C 1.749 176.448 174.700 -0.002 0.000 1.040 176 T CA 1.299 63.411 62.100 0.019 0.000 1.141 176 T CB -0.569 68.329 68.868 0.049 0.000 0.868 176 T HN 0.225 nan 8.240 nan 0.000 0.444 177 Y N 1.987 122.205 120.300 -0.138 0.000 2.081 177 Y HA -0.196 4.348 4.550 -0.010 0.000 0.280 177 Y C 2.059 177.842 175.900 -0.195 0.000 1.163 177 Y CA 1.086 59.044 58.100 -0.236 0.000 1.135 177 Y CB -0.647 37.566 38.460 -0.412 0.000 0.970 177 Y HN 0.154 nan 8.280 nan 0.000 0.498 178 I N 0.323 120.815 120.570 -0.129 0.000 2.194 178 I HA -0.401 3.763 4.170 -0.010 0.000 0.246 178 I C 2.441 178.487 176.117 -0.117 0.000 1.093 178 I CA 1.852 63.066 61.300 -0.143 0.000 1.355 178 I CB -0.584 37.510 38.000 0.157 0.000 1.046 178 I HN 0.398 nan 8.210 nan 0.000 0.413 179 Q N 0.116 119.884 119.800 -0.053 0.000 2.291 179 Q HA -0.149 4.185 4.340 -0.010 0.000 0.206 179 Q C 2.069 178.058 176.000 -0.018 0.000 0.976 179 Q CA 1.365 57.162 55.803 -0.011 0.000 0.875 179 Q CB -0.197 28.545 28.738 0.007 0.000 0.927 179 Q HN 0.655 nan 8.270 nan 0.000 0.450 180 G N -0.562 108.181 108.800 -0.097 0.000 2.986 180 G HA2 0.022 3.976 3.960 -0.010 0.000 0.213 180 G HA3 0.022 3.976 3.960 -0.010 0.000 0.213 180 G C 1.214 176.064 174.900 -0.083 0.000 1.156 180 G CA -0.266 44.808 45.100 -0.043 0.000 0.763 180 G HN 0.131 nan 8.290 nan 0.000 0.547 181 L N -0.467 120.604 121.223 -0.255 0.000 2.012 181 L HA 0.062 4.396 4.340 -0.010 0.000 0.210 181 L C 0.473 177.056 176.870 -0.478 0.000 1.073 181 L CA 0.925 55.505 54.840 -0.434 0.000 0.748 181 L CB -0.149 41.598 42.059 -0.521 0.000 0.891 181 L HN 0.142 nan 8.230 nan 0.000 0.431 182 F N -0.242 119.665 119.950 -0.071 0.000 2.307 182 F HA 0.329 4.850 4.527 -0.010 0.000 0.369 182 F C 0.293 176.156 175.800 0.106 0.000 1.076 182 F CA -0.507 57.515 58.000 0.036 0.000 1.149 182 F CB 0.946 39.993 39.000 0.078 0.000 1.410 182 F HN -0.103 nan 8.300 nan 0.000 0.481 183 S N 1.531 117.373 115.700 0.238 0.000 2.643 183 S HA 0.614 5.078 4.470 -0.010 0.000 0.270 183 S C -1.154 173.579 174.600 0.222 0.000 1.166 183 S CA -1.186 57.143 58.200 0.214 0.000 0.815 183 S CB 1.076 64.372 63.200 0.160 0.000 1.139 183 S HN 0.334 nan 8.310 nan 0.000 0.472 184 L N 2.191 123.497 121.223 0.138 0.000 2.477 184 L HA 0.313 4.647 4.340 -0.010 0.000 0.272 184 L C -1.803 174.985 176.870 -0.137 0.000 1.157 184 L CA -1.524 53.360 54.840 0.074 0.000 0.889 184 L CB 0.318 42.406 42.059 0.050 0.000 1.158 184 L HN 0.565 nan 8.230 nan 0.000 0.473 185 P HA 0.118 nan 4.420 nan 0.000 0.225 185 P C -0.190 176.755 177.300 -0.593 0.000 1.768 185 P CA 0.233 62.670 63.100 -1.106 0.000 0.943 185 P CB -0.310 30.948 31.700 -0.737 0.000 1.936 186 I N 3.213 123.672 120.570 -0.185 0.000 2.297 186 I HA 0.192 4.356 4.170 -0.010 0.000 0.291 186 I C -1.842 174.447 176.117 0.287 0.000 1.033 186 I CA -2.661 58.665 61.300 0.044 0.000 1.253 186 I CB 1.724 39.738 38.000 0.022 0.000 1.396 186 I HN -0.134 nan 8.210 nan 0.000 0.476 187 P HA 0.274 nan 4.420 nan 0.000 0.220 187 P C -0.747 176.603 177.300 0.083 0.000 1.806 187 P CA 0.205 63.438 63.100 0.223 0.000 0.976 187 P CB -0.143 31.659 31.700 0.171 0.000 1.952 188 L N 2.055 123.323 121.223 0.076 0.000 2.341 188 L HA 0.471 4.805 4.340 -0.010 0.000 0.267 188 L C -1.383 175.493 176.870 0.010 0.000 1.009 188 L CA -2.567 52.289 54.840 0.028 0.000 0.819 188 L CB 2.683 44.759 42.059 0.027 0.000 1.323 188 L HN -0.149 nan 8.230 nan 0.000 0.425 189 P HA -0.085 nan 4.420 nan 0.000 0.230 189 P C 0.144 177.440 177.300 -0.006 0.000 1.158 189 P CA 0.937 64.025 63.100 -0.020 0.000 0.769 189 P CB -0.054 31.633 31.700 -0.022 0.000 0.807 190 N N -0.240 118.464 118.700 0.007 0.000 2.320 190 N HA 0.033 4.767 4.740 -0.010 0.000 0.237 190 N C -0.125 175.400 175.510 0.025 0.000 1.129 190 N CA 0.038 53.096 53.050 0.013 0.000 0.854 190 N CB -0.425 38.069 38.487 0.011 0.000 1.083 190 N HN 0.106 nan 8.380 nan 0.000 0.504 191 T N -3.564 111.011 114.554 0.036 0.000 2.924 191 T HA 0.467 4.811 4.350 -0.010 0.000 0.291 191 T C 1.320 176.056 174.700 0.059 0.000 1.045 191 T CA -0.877 61.260 62.100 0.062 0.000 1.015 191 T CB 1.447 70.380 68.868 0.108 0.000 1.103 191 T HN -0.099 nan 8.240 nan 0.000 0.496 192 L N 0.076 121.344 121.223 0.074 0.000 2.046 192 L HA 0.029 4.363 4.340 -0.010 0.000 0.208 192 L C 2.335 179.243 176.870 0.064 0.000 1.077 192 L CA 1.455 56.330 54.840 0.058 0.000 0.747 192 L CB -0.633 41.466 42.059 0.066 0.000 0.896 192 L HN 0.668 nan 8.230 nan 0.000 0.432 193 F N 1.097 121.024 119.950 -0.037 0.000 2.075 193 F HA -0.137 4.385 4.527 -0.010 0.000 0.297 193 F C 2.268 178.030 175.800 -0.065 0.000 1.113 193 F CA 1.645 59.609 58.000 -0.060 0.000 1.218 193 F CB -0.758 38.220 39.000 -0.037 0.000 0.984 193 F HN -0.027 nan 8.300 nan 0.000 0.472 194 G N 0.088 108.816 108.800 -0.120 0.000 2.422 194 G HA2 -0.233 3.721 3.960 -0.010 0.000 0.218 194 G HA3 -0.233 3.721 3.960 -0.010 0.000 0.218 194 G C 1.732 176.506 174.900 -0.210 0.000 1.146 194 G CA 0.692 45.661 45.100 -0.220 0.000 0.769 194 G HN 0.348 nan 8.290 nan 0.000 0.547 195 K N 0.548 120.870 120.400 -0.130 0.000 2.148 195 K HA 0.011 4.325 4.320 -0.010 0.000 0.204 195 K C 2.755 179.268 176.600 -0.146 0.000 1.050 195 K CA 1.123 57.346 56.287 -0.106 0.000 0.942 195 K CB -0.087 32.385 32.500 -0.047 0.000 0.724 195 K HN 0.210 nan 8.250 nan 0.000 0.446 196 S N 1.275 116.853 115.700 -0.203 0.000 2.414 196 S HA -0.082 4.382 4.470 -0.010 0.000 0.227 196 S C 1.847 176.290 174.600 -0.261 0.000 1.022 196 S CA 0.814 58.882 58.200 -0.221 0.000 0.958 196 S CB 0.027 63.050 63.200 -0.296 0.000 0.797 196 S HN 0.299 nan 8.310 nan 0.000 0.493 197 Q N 0.582 120.128 119.800 -0.424 0.000 2.084 197 Q HA -0.145 4.189 4.340 -0.010 0.000 0.202 197 Q C 2.345 178.186 176.000 -0.265 0.000 0.978 197 Q CA 1.404 56.966 55.803 -0.402 0.000 0.844 197 Q CB -0.141 28.283 28.738 -0.523 0.000 0.898 197 Q HN 0.278 nan 8.270 nan 0.000 0.426 198 R N 0.697 121.052 120.500 -0.241 0.000 2.090 198 R HA -0.038 4.296 4.340 -0.010 0.000 0.228 198 R C 1.991 178.114 176.300 -0.294 0.000 1.110 198 R CA 1.394 57.358 56.100 -0.227 0.000 0.973 198 R CB -0.533 29.662 30.300 -0.176 0.000 0.869 198 R HN 0.197 nan 8.270 nan 0.000 0.440 199 A N 1.299 123.969 122.820 -0.250 0.000 1.883 199 A HA -0.228 4.086 4.320 -0.010 0.000 0.217 199 A C 2.245 179.622 177.584 -0.345 0.000 1.186 199 A CA 1.823 53.688 52.037 -0.288 0.000 0.624 199 A CB -0.726 18.223 19.000 -0.085 0.000 0.822 199 A HN 0.504 nan 8.150 nan 0.000 0.444 200 R N -0.228 120.141 120.500 -0.219 0.000 2.081 200 R HA -0.071 4.263 4.340 -0.010 0.000 0.235 200 R C 2.196 178.319 176.300 -0.294 0.000 1.131 200 R CA 1.721 57.659 56.100 -0.271 0.000 0.960 200 R CB -0.538 29.710 30.300 -0.087 0.000 0.856 200 R HN 0.372 nan 8.270 nan 0.000 0.436 201 A N 1.345 124.001 122.820 -0.274 0.000 1.877 201 A HA -0.108 4.206 4.320 -0.010 0.000 0.216 201 A C 2.263 179.651 177.584 -0.328 0.000 1.186 201 A CA 1.440 53.324 52.037 -0.254 0.000 0.620 201 A CB -0.581 18.286 19.000 -0.222 0.000 0.822 201 A HN 0.376 nan 8.150 nan 0.000 0.443 202 L N -0.809 120.108 121.223 -0.510 0.000 2.083 202 L HA -0.163 4.171 4.340 -0.010 0.000 0.209 202 L C 2.545 179.031 176.870 -0.639 0.000 1.083 202 L CA 0.965 55.331 54.840 -0.790 0.000 0.752 202 L CB -0.490 40.634 42.059 -1.558 0.000 0.899 202 L HN 0.362 nan 8.230 nan 0.000 0.433 203 L N -0.782 120.161 121.223 -0.468 0.000 2.056 203 L HA -0.203 4.131 4.340 -0.010 0.000 0.207 203 L C 2.455 179.262 176.870 -0.104 0.000 1.078 203 L CA 1.072 55.812 54.840 -0.167 0.000 0.749 203 L CB -0.399 41.517 42.059 -0.238 0.000 0.901 203 L HN 0.224 nan 8.230 nan 0.000 0.433 204 L N -0.467 120.657 121.223 -0.165 0.000 2.046 204 L HA -0.187 4.147 4.340 -0.010 0.000 0.208 204 L C 2.876 179.707 176.870 -0.064 0.000 1.077 204 L CA 1.103 55.883 54.840 -0.100 0.000 0.747 204 L CB -0.749 41.242 42.059 -0.113 0.000 0.896 204 L HN 0.245 nan 8.230 nan 0.000 0.432 205 A N -0.410 122.354 122.820 -0.094 0.000 1.933 205 A HA -0.190 4.124 4.320 -0.010 0.000 0.218 205 A C 2.224 179.806 177.584 -0.003 0.000 1.175 205 A CA 1.473 53.475 52.037 -0.059 0.000 0.628 205 A CB -0.295 18.649 19.000 -0.093 0.000 0.814 205 A HN 0.336 nan 8.150 nan 0.000 0.444 206 E N 0.168 120.387 120.200 0.032 0.000 2.072 206 E HA -0.096 4.248 4.350 -0.010 0.000 0.190 206 E C 2.096 178.750 176.600 0.091 0.000 0.982 206 E CA 0.991 57.459 56.400 0.113 0.000 0.803 206 E CB -0.457 29.389 29.700 0.243 0.000 0.755 206 E HN 0.704 nan 8.360 nan 0.000 0.453 207 L N 0.648 121.916 121.223 0.076 0.000 2.093 207 L HA -0.135 4.199 4.340 -0.010 0.000 0.208 207 L C 2.606 179.501 176.870 0.041 0.000 1.085 207 L CA 1.171 56.052 54.840 0.068 0.000 0.755 207 L CB -0.499 41.600 42.059 0.065 0.000 0.904 207 L HN 0.141 nan 8.230 nan 0.000 0.435 208 E N 0.793 121.007 120.200 0.023 0.000 2.058 208 E HA -0.243 4.101 4.350 -0.010 0.000 0.194 208 E C 2.207 178.820 176.600 0.022 0.000 0.997 208 E CA 1.299 57.708 56.400 0.014 0.000 0.801 208 E CB 0.177 29.877 29.700 0.001 0.000 0.746 208 E HN 0.270 nan 8.360 nan 0.000 0.450 209 K N 0.289 120.707 120.400 0.031 0.000 2.026 209 K HA -0.149 4.165 4.320 -0.010 0.000 0.208 209 K C 2.302 178.923 176.600 0.036 0.000 1.048 209 K CA 1.346 57.654 56.287 0.034 0.000 0.929 209 K CB -0.412 32.116 32.500 0.047 0.000 0.713 209 K HN 0.316 nan 8.250 nan 0.000 0.439 210 I N 0.964 121.561 120.570 0.046 0.000 2.208 210 I HA -0.293 3.871 4.170 -0.010 0.000 0.245 210 I C 2.337 178.473 176.117 0.031 0.000 1.097 210 I CA 1.171 62.496 61.300 0.042 0.000 1.363 210 I CB -0.231 37.802 38.000 0.055 0.000 1.051 210 I HN 0.079 nan 8.210 nan 0.000 0.413 211 I N 0.310 120.897 120.570 0.028 0.000 2.202 211 I HA -0.257 3.907 4.170 -0.010 0.000 0.242 211 I C 2.418 178.544 176.117 0.015 0.000 1.091 211 I CA 1.156 62.468 61.300 0.020 0.000 1.368 211 I CB -0.351 37.660 38.000 0.017 0.000 1.058 211 I HN 0.114 nan 8.210 nan 0.000 0.410 212 K N 0.928 121.337 120.400 0.015 0.000 2.209 212 K HA -0.106 4.208 4.320 -0.010 0.000 0.204 212 K C 2.135 178.742 176.600 0.012 0.000 1.048 212 K CA 1.422 57.716 56.287 0.012 0.000 0.940 212 K CB -0.417 32.090 32.500 0.012 0.000 0.729 212 K HN 0.340 nan 8.250 nan 0.000 0.451 213 A N 1.541 124.370 122.820 0.015 0.000 1.873 213 A HA -0.175 4.139 4.320 -0.010 0.000 0.215 213 A C 2.241 179.831 177.584 0.011 0.000 1.186 213 A CA 1.651 53.696 52.037 0.013 0.000 0.616 213 A CB -0.369 18.642 19.000 0.017 0.000 0.823 213 A HN 0.210 nan 8.150 nan 0.000 0.442 214 R N 0.072 120.579 120.500 0.011 0.000 2.148 214 R HA -0.071 4.263 4.340 -0.010 0.000 0.227 214 R C 1.997 178.300 176.300 0.006 0.000 1.103 214 R CA 1.866 57.971 56.100 0.009 0.000 0.983 214 R CB -0.560 29.746 30.300 0.010 0.000 0.874 214 R HN 0.662 nan 8.270 nan 0.000 0.451 215 Q N -0.317 119.487 119.800 0.006 0.000 2.297 215 Q HA -0.032 4.302 4.340 -0.010 0.000 0.204 215 Q C 0.750 176.752 176.000 0.003 0.000 0.962 215 Q CA 0.936 56.741 55.803 0.004 0.000 0.879 215 Q CB 0.285 29.026 28.738 0.004 0.000 0.947 215 Q HN 0.471 nan 8.270 nan 0.000 0.462 216 Q N 0.491 120.293 119.800 0.004 0.000 2.294 216 Q HA 0.113 4.447 4.340 -0.010 0.000 0.256 216 Q C -0.611 175.390 176.000 0.002 0.000 0.907 216 Q CA 0.143 55.948 55.803 0.003 0.000 0.954 216 Q CB 0.403 29.144 28.738 0.004 0.000 1.102 216 Q HN 0.233 nan 8.270 nan 0.000 0.429 217 Q N 0.038 119.839 119.800 0.002 0.000 2.462 217 Q HA 0.374 4.708 4.340 -0.010 0.000 0.285 217 Q C -2.599 173.401 176.000 -0.000 0.000 1.035 217 Q CA -2.156 53.647 55.803 0.001 0.000 0.799 217 Q CB 2.036 30.776 28.738 0.002 0.000 1.452 217 Q HN 0.046 nan 8.270 nan 0.000 0.404 218 P HA 0.048 nan 4.420 nan 0.000 0.264 218 P C -2.494 174.804 177.300 -0.004 0.000 1.183 218 P CA -0.630 62.468 63.100 -0.003 0.000 0.763 218 P CB -0.233 31.465 31.700 -0.003 0.000 0.807 219 P HA 0.110 nan 4.420 nan 0.000 0.267 219 P C -0.818 176.477 177.300 -0.008 0.000 1.209 219 P CA 0.144 63.240 63.100 -0.007 0.000 0.763 219 P CB 0.387 32.082 31.700 -0.008 0.000 0.816 220 S N 1.426 117.122 115.700 -0.007 0.000 2.561 220 S HA 0.409 4.873 4.470 -0.010 0.000 0.303 220 S C -0.129 174.465 174.600 -0.011 0.000 1.110 220 S CA -0.803 57.392 58.200 -0.008 0.000 1.034 220 S CB 1.673 64.871 63.200 -0.002 0.000 1.010 220 S HN 0.197 nan 8.310 nan 0.000 0.482 221 E N 1.337 121.525 120.200 -0.020 0.000 2.511 221 E HA 0.288 4.632 4.350 -0.010 0.000 0.214 221 E C 1.538 178.118 176.600 -0.032 0.000 1.062 221 E CA 0.156 56.538 56.400 -0.031 0.000 1.213 221 E CB -0.072 29.601 29.700 -0.046 0.000 1.214 221 E HN 0.863 nan 8.360 nan 0.000 0.441 222 E N 1.043 121.239 120.200 -0.006 0.000 2.107 222 E HA -0.092 4.252 4.350 -0.010 0.000 0.191 222 E C 0.774 177.422 176.600 0.080 0.000 0.982 222 E CA 1.594 58.002 56.400 0.013 0.000 0.809 222 E CB -0.501 29.217 29.700 0.030 0.000 0.756 222 E HN 0.399 nan 8.360 nan 0.000 0.459 223 D N -3.362 117.097 120.400 0.098 0.000 2.654 223 D HA 0.631 5.265 4.640 -0.010 0.000 0.255 223 D C 1.152 177.501 176.300 0.082 0.000 1.101 223 D CA 0.033 54.146 54.000 0.189 0.000 1.116 223 D CB 0.988 41.876 40.800 0.147 0.000 1.348 223 D HN 0.110 nan 8.370 nan 0.000 0.609 224 A N -0.341 122.525 122.820 0.076 0.000 1.898 224 A HA -0.091 4.223 4.320 -0.010 0.000 0.216 224 A C 2.011 179.550 177.584 -0.074 0.000 1.181 224 A CA 1.585 53.558 52.037 -0.106 0.000 0.620 224 A CB -0.923 17.884 19.000 -0.322 0.000 0.819 224 A HN 0.478 nan 8.150 nan 0.000 0.442 225 L N 0.223 121.436 121.223 -0.016 0.000 2.046 225 L HA -0.037 4.297 4.340 -0.010 0.000 0.208 225 L C 2.406 179.269 176.870 -0.012 0.000 1.077 225 L CA 2.355 57.190 54.840 -0.009 0.000 0.747 225 L CB -1.133 40.935 42.059 0.016 0.000 0.896 225 L HN 0.309 nan 8.230 nan 0.000 0.432 226 G N -0.270 108.527 108.800 -0.005 0.000 2.446 226 G HA2 -0.268 3.686 3.960 -0.010 0.000 0.217 226 G HA3 -0.268 3.686 3.960 -0.010 0.000 0.217 226 G C 1.665 176.549 174.900 -0.026 0.000 1.168 226 G CA 1.170 46.264 45.100 -0.010 0.000 0.771 226 G HN 0.477 nan 8.290 nan 0.000 0.551 227 I N 0.420 120.964 120.570 -0.043 0.000 2.163 227 I HA -0.189 3.975 4.170 -0.010 0.000 0.243 227 I C 2.716 178.804 176.117 -0.049 0.000 1.085 227 I CA 0.901 62.165 61.300 -0.061 0.000 1.347 227 I CB -0.204 37.734 38.000 -0.102 0.000 1.044 227 I HN 0.150 nan 8.210 nan 0.000 0.408 228 L N -0.495 120.700 121.223 -0.046 0.000 2.093 228 L HA -0.202 4.132 4.340 -0.010 0.000 0.208 228 L C 2.435 179.294 176.870 -0.018 0.000 1.085 228 L CA 0.636 55.457 54.840 -0.031 0.000 0.755 228 L CB -0.449 41.592 42.059 -0.030 0.000 0.904 228 L HN 0.249 nan 8.230 nan 0.000 0.435 229 L N 0.069 121.283 121.223 -0.016 0.000 2.083 229 L HA -0.119 4.215 4.340 -0.010 0.000 0.209 229 L C 2.701 179.565 176.870 -0.010 0.000 1.083 229 L CA 1.947 56.782 54.840 -0.009 0.000 0.752 229 L CB -1.418 40.637 42.059 -0.006 0.000 0.899 229 L HN 0.171 nan 8.230 nan 0.000 0.433 230 A N -0.734 122.077 122.820 -0.016 0.000 2.016 230 A HA 0.256 4.570 4.320 -0.010 0.000 0.217 230 A C 1.475 179.050 177.584 -0.014 0.000 1.162 230 A CA 0.587 52.614 52.037 -0.016 0.000 0.662 230 A CB -0.634 18.354 19.000 -0.021 0.000 0.812 230 A HN 0.294 nan 8.150 nan 0.000 0.450 231 A N 0.659 123.470 122.820 -0.015 0.000 2.531 231 A HA 0.435 4.749 4.320 -0.010 0.000 0.236 231 A C 0.257 177.838 177.584 -0.005 0.000 1.062 231 A CA 0.195 52.226 52.037 -0.011 0.000 0.760 231 A CB 0.083 19.076 19.000 -0.011 0.000 0.995 231 A HN 0.355 nan 8.150 nan 0.000 0.501 232 R N 1.534 122.032 120.500 -0.002 0.000 2.621 232 R HA 0.323 4.657 4.340 -0.010 0.000 0.292 232 R C -0.786 175.516 176.300 0.004 0.000 0.969 232 R CA -0.731 55.370 56.100 0.001 0.000 0.887 232 R CB 1.569 31.869 30.300 0.000 0.000 1.180 232 R HN 0.944 nan 8.270 nan 0.000 0.450 233 D N 0.295 120.698 120.400 0.006 0.000 2.380 233 D HA -0.011 4.623 4.640 -0.010 0.000 0.254 233 D C 0.264 176.569 176.300 0.008 0.000 1.288 233 D CA -0.206 53.799 54.000 0.008 0.000 1.008 233 D CB 0.662 41.469 40.800 0.011 0.000 1.099 233 D HN 0.257 nan 8.370 nan 0.000 0.537 234 D N -1.157 119.248 120.400 0.009 0.000 2.310 234 D HA -0.105 4.529 4.640 -0.010 0.000 0.212 234 D C 0.412 176.716 176.300 0.008 0.000 0.965 234 D CA 0.726 54.731 54.000 0.009 0.000 0.879 234 D CB -0.194 40.612 40.800 0.010 0.000 0.921 234 D HN 0.305 nan 8.370 nan 0.000 0.510 235 N N 0.720 119.424 118.700 0.008 0.000 2.279 235 N HA -0.025 4.709 4.740 -0.010 0.000 0.226 235 N C 0.090 175.604 175.510 0.006 0.000 1.126 235 N CA -0.053 53.001 53.050 0.007 0.000 0.846 235 N CB 0.008 38.499 38.487 0.008 0.000 1.050 235 N HN 0.021 nan 8.380 nan 0.000 0.502 236 N N 0.464 119.167 118.700 0.005 0.000 2.741 236 N HA -0.205 4.529 4.740 -0.010 0.000 0.251 236 N C -1.069 174.443 175.510 0.003 0.000 1.112 236 N CA 0.720 53.772 53.050 0.004 0.000 0.750 236 N CB -0.619 37.870 38.487 0.003 0.000 1.119 236 N HN 0.180 nan 8.380 nan 0.000 0.561 237 Q N 0.255 120.058 119.800 0.005 0.000 2.230 237 Q HA 0.462 4.796 4.340 -0.010 0.000 0.253 237 Q C -2.153 173.849 176.000 0.004 0.000 0.919 237 Q CA -1.558 54.248 55.803 0.005 0.000 0.908 237 Q CB 0.983 29.724 28.738 0.006 0.000 1.245 237 Q HN 0.296 nan 8.270 nan 0.000 0.437 238 P HA 0.112 nan 4.420 nan 0.000 0.272 238 P C -0.217 177.086 177.300 0.005 0.000 1.240 238 P CA -0.272 62.830 63.100 0.003 0.000 0.791 238 P CB 0.800 32.501 31.700 0.002 0.000 0.978 239 L N 0.858 122.084 121.223 0.005 0.000 2.416 239 L HA 0.110 4.444 4.340 -0.010 0.000 0.272 239 L C 1.517 178.391 176.870 0.007 0.000 1.161 239 L CA -0.260 54.585 54.840 0.008 0.000 0.845 239 L CB 0.144 42.207 42.059 0.007 0.000 1.119 239 L HN 0.498 nan 8.230 nan 0.000 0.464 240 S N 2.348 118.053 115.700 0.009 0.000 2.580 240 S HA 0.023 4.487 4.470 -0.010 0.000 0.266 240 S C 0.894 175.498 174.600 0.006 0.000 1.354 240 S CA -0.632 57.572 58.200 0.007 0.000 1.008 240 S CB 0.964 64.168 63.200 0.008 0.000 0.898 240 S HN 0.580 nan 8.310 nan 0.000 0.555 241 L N 1.793 123.018 121.223 0.004 0.000 2.012 241 L HA 0.109 4.443 4.340 -0.010 0.000 0.210 241 L C -1.035 175.837 176.870 0.003 0.000 1.073 241 L CA 1.810 56.652 54.840 0.003 0.000 0.748 241 L CB -1.744 40.316 42.059 0.001 0.000 0.891 241 L HN 0.545 nan 8.230 nan 0.000 0.431 242 P HA -0.211 nan 4.420 nan 0.000 0.216 242 P C 1.384 178.689 177.300 0.007 0.000 1.150 242 P CA 1.718 64.818 63.100 0.000 0.000 0.837 242 P CB 0.013 31.712 31.700 -0.000 0.000 0.786 243 E N -0.279 119.928 120.200 0.012 0.000 2.072 243 E HA -0.140 4.204 4.350 -0.010 0.000 0.191 243 E C 1.923 178.534 176.600 0.019 0.000 0.985 243 E CA 0.794 57.206 56.400 0.019 0.000 0.801 243 E CB -0.719 28.994 29.700 0.022 0.000 0.750 243 E HN 0.093 nan 8.360 nan 0.000 0.452 244 L N 0.682 121.913 121.223 0.013 0.000 2.012 244 L HA -0.236 4.098 4.340 -0.010 0.000 0.210 244 L C 2.593 179.472 176.870 0.016 0.000 1.073 244 L CA 1.684 56.531 54.840 0.012 0.000 0.748 244 L CB -0.384 41.680 42.059 0.008 0.000 0.891 244 L HN 0.126 nan 8.230 nan 0.000 0.431 245 K N -0.506 119.902 120.400 0.013 0.000 2.062 245 K HA -0.144 4.170 4.320 -0.010 0.000 0.205 245 K C 1.708 178.318 176.600 0.016 0.000 1.051 245 K CA 1.328 57.623 56.287 0.013 0.000 0.941 245 K CB -0.209 32.290 32.500 -0.002 0.000 0.719 245 K HN 0.204 nan 8.250 nan 0.000 0.440 246 D N 0.904 121.314 120.400 0.016 0.000 2.144 246 D HA -0.125 4.509 4.640 -0.010 0.000 0.199 246 D C 2.126 178.459 176.300 0.055 0.000 0.984 246 D CA 1.005 55.022 54.000 0.029 0.000 0.834 246 D CB 0.045 40.864 40.800 0.032 0.000 0.955 246 D HN 0.117 nan 8.370 nan 0.000 0.465 247 Q N 0.068 119.896 119.800 0.047 0.000 2.079 247 Q HA -0.049 4.285 4.340 -0.010 0.000 0.200 247 Q C 2.577 178.603 176.000 0.044 0.000 0.974 247 Q CA 0.689 56.521 55.803 0.048 0.000 0.840 247 Q CB -0.199 28.557 28.738 0.029 0.000 0.898 247 Q HN 0.517 nan 8.270 nan 0.000 0.430 248 I N -1.548 119.047 120.570 0.041 0.000 2.353 248 I HA -0.167 3.997 4.170 -0.010 0.000 0.248 248 I C 2.275 178.475 176.117 0.139 0.000 1.119 248 I CA 0.597 61.929 61.300 0.053 0.000 1.417 248 I CB -0.564 37.470 38.000 0.057 0.000 1.078 248 I HN 0.013 nan 8.210 nan 0.000 0.421 249 L N 1.178 122.490 121.223 0.147 0.000 2.079 249 L HA -0.175 4.158 4.340 -0.010 0.000 0.210 249 L C 2.290 179.369 176.870 0.347 0.000 1.081 249 L CA 1.723 56.696 54.840 0.223 0.000 0.752 249 L CB -0.603 41.463 42.059 0.011 0.000 0.896 249 L HN 0.333 nan 8.230 nan 0.000 0.433 250 L N -1.071 120.304 121.223 0.254 0.000 2.027 250 L HA -0.151 4.183 4.340 -0.010 0.000 0.206 250 L C 2.287 179.314 176.870 0.262 0.000 1.074 250 L CA 1.757 56.785 54.840 0.313 0.000 0.745 250 L CB -0.631 41.553 42.059 0.210 0.000 0.898 250 L HN 0.257 nan 8.230 nan 0.000 0.433 251 L N -1.066 120.228 121.223 0.118 0.000 2.042 251 L HA -0.254 4.080 4.340 -0.010 0.000 0.210 251 L C 2.550 179.494 176.870 0.124 0.000 1.076 251 L CA 1.454 56.274 54.840 -0.034 0.000 0.749 251 L CB -0.606 41.255 42.059 -0.330 0.000 0.893 251 L HN 0.332 nan 8.230 nan 0.000 0.432 252 L N -1.344 120.027 121.223 0.247 0.000 2.056 252 L HA -0.230 4.104 4.340 -0.010 0.000 0.207 252 L C 2.551 179.596 176.870 0.292 0.000 1.078 252 L CA 1.076 56.059 54.840 0.238 0.000 0.749 252 L CB -0.598 41.532 42.059 0.118 0.000 0.901 252 L HN 0.195 nan 8.230 nan 0.000 0.433 253 F N 1.203 121.424 119.950 0.452 0.000 2.075 253 F HA -0.180 4.341 4.527 -0.010 0.000 0.297 253 F C 2.409 178.409 175.800 0.333 0.000 1.113 253 F CA 1.248 59.594 58.000 0.576 0.000 1.218 253 F CB -0.608 38.782 39.000 0.650 0.000 0.984 253 F HN -0.034 nan 8.300 nan 0.000 0.472 254 A N 0.484 123.115 122.820 -0.316 0.000 1.933 254 A HA 0.000 4.314 4.320 -0.010 0.000 0.218 254 A C 2.452 179.966 177.584 -0.117 0.000 1.175 254 A CA 1.563 53.344 52.037 -0.426 0.000 0.628 254 A CB -1.828 17.051 19.000 -0.201 0.000 0.814 254 A HN 0.559 nan 8.150 nan 0.000 0.444 255 G N -1.923 106.925 108.800 0.080 0.000 2.484 255 G HA2 -0.118 3.836 3.960 -0.010 0.000 0.218 255 G HA3 -0.118 3.836 3.960 -0.010 0.000 0.218 255 G C 1.449 176.467 174.900 0.197 0.000 1.130 255 G CA 1.376 46.598 45.100 0.203 0.000 0.784 255 G HN 0.719 nan 8.290 nan 0.000 0.543 256 H N 0.258 119.358 119.070 0.051 0.000 2.334 256 H HA 0.117 4.667 4.556 -0.010 0.000 0.315 256 H C 2.334 177.704 175.328 0.070 0.000 1.056 256 H CA 1.463 57.562 56.048 0.084 0.000 1.418 256 H CB -0.140 29.729 29.762 0.179 0.000 1.464 256 H HN 0.222 nan 8.280 nan 0.000 0.587 257 E N 0.073 120.157 120.200 -0.194 0.000 2.051 257 E HA -0.133 4.211 4.350 -0.010 0.000 0.192 257 E C 2.301 178.815 176.600 -0.142 0.000 0.991 257 E CA 2.481 58.747 56.400 -0.224 0.000 0.799 257 E CB -0.578 29.115 29.700 -0.011 0.000 0.748 257 E HN 0.642 nan 8.360 nan 0.000 0.449 258 T N -1.092 113.377 114.554 -0.143 0.000 2.746 258 T HA -0.152 4.192 4.350 -0.010 0.000 0.267 258 T C 2.031 176.700 174.700 -0.051 0.000 1.039 258 T CA 1.424 63.476 62.100 -0.081 0.000 1.142 258 T CB -0.527 68.306 68.868 -0.058 0.000 0.866 258 T HN 0.157 nan 8.240 nan 0.000 0.444 259 L N 0.945 122.148 121.223 -0.034 0.000 2.156 259 L HA -0.010 4.324 4.340 -0.010 0.000 0.208 259 L C 3.151 179.947 176.870 -0.122 0.000 1.095 259 L CA 1.333 56.142 54.840 -0.052 0.000 0.770 259 L CB -0.872 41.183 42.059 -0.006 0.000 0.914 259 L HN 0.308 nan 8.230 nan 0.000 0.439 260 T N -1.450 113.031 114.554 -0.122 0.000 2.635 260 T HA -0.267 4.077 4.350 -0.010 0.000 0.267 260 T C 2.152 176.813 174.700 -0.065 0.000 1.040 260 T CA 1.902 63.909 62.100 -0.155 0.000 1.156 260 T CB -0.255 68.498 68.868 -0.192 0.000 0.863 260 T HN 0.326 nan 8.240 nan 0.000 0.430 261 S N 0.676 116.371 115.700 -0.009 0.000 2.348 261 S HA -0.097 4.367 4.470 -0.010 0.000 0.221 261 S C 2.427 177.007 174.600 -0.033 0.000 1.033 261 S CA 1.472 59.681 58.200 0.015 0.000 1.010 261 S CB -0.643 62.554 63.200 -0.004 0.000 0.891 261 S HN 0.523 nan 8.310 nan 0.000 0.442 262 A N 1.370 124.156 122.820 -0.056 0.000 1.908 262 A HA -0.014 4.300 4.320 -0.010 0.000 0.218 262 A C 2.210 179.758 177.584 -0.060 0.000 1.181 262 A CA 1.675 53.684 52.037 -0.046 0.000 0.627 262 A CB -0.786 18.189 19.000 -0.042 0.000 0.818 262 A HN 0.603 nan 8.150 nan 0.000 0.445 263 L N 0.170 121.286 121.223 -0.178 0.000 2.179 263 L HA -0.104 4.230 4.340 -0.010 0.000 0.208 263 L C 2.934 179.636 176.870 -0.280 0.000 1.096 263 L CA 1.264 55.911 54.840 -0.322 0.000 0.779 263 L CB -0.610 41.008 42.059 -0.736 0.000 0.922 263 L HN 0.568 nan 8.230 nan 0.000 0.443 264 S N -0.746 114.821 115.700 -0.222 0.000 2.368 264 S HA -0.158 4.306 4.470 -0.010 0.000 0.225 264 S C 2.121 176.677 174.600 -0.074 0.000 1.030 264 S CA 1.343 59.452 58.200 -0.152 0.000 0.999 264 S CB -0.501 62.734 63.200 0.059 0.000 0.844 264 S HN 0.306 nan 8.310 nan 0.000 0.459 265 S N 1.581 117.260 115.700 -0.034 0.000 2.359 265 S HA -0.034 4.430 4.470 -0.010 0.000 0.224 265 S C 1.410 176.009 174.600 -0.003 0.000 1.035 265 S CA 1.435 59.623 58.200 -0.020 0.000 1.018 265 S CB -0.686 62.511 63.200 -0.005 0.000 0.876 265 S HN 0.606 nan 8.310 nan 0.000 0.448 266 F N 1.675 121.580 119.950 -0.075 0.000 2.134 266 F HA -0.180 4.341 4.527 -0.010 0.000 0.299 266 F C 2.330 178.178 175.800 0.080 0.000 1.097 266 F CA 0.987 58.988 58.000 0.002 0.000 1.264 266 F CB -0.508 38.520 39.000 0.045 0.000 1.001 266 F HN 0.202 nan 8.300 nan 0.000 0.479 267 C N -0.067 119.287 119.300 0.090 0.000 2.457 267 C HA -0.078 4.376 4.460 -0.010 0.000 0.278 267 C C 2.606 177.728 174.990 0.219 0.000 1.309 267 C CA 0.627 59.672 59.018 0.046 0.000 1.735 267 C CB -1.344 26.094 27.740 -0.503 0.000 1.992 267 C HN 0.628 nan 8.230 nan 0.000 0.493 268 L N 0.923 122.180 121.223 0.057 0.000 1.976 268 L HA -0.099 4.235 4.340 -0.010 0.000 0.209 268 L C 2.302 179.155 176.870 -0.029 0.000 1.071 268 L CA 2.008 56.874 54.840 0.044 0.000 0.746 268 L CB -0.917 41.133 42.059 -0.015 0.000 0.890 268 L HN 0.279 nan 8.230 nan 0.000 0.432 269 L N -1.293 119.815 121.223 -0.192 0.000 2.093 269 L HA -0.169 4.165 4.340 -0.010 0.000 0.208 269 L C 2.252 178.920 176.870 -0.336 0.000 1.085 269 L CA 0.521 55.107 54.840 -0.423 0.000 0.755 269 L CB -0.497 40.962 42.059 -1.000 0.000 0.904 269 L HN 0.284 nan 8.230 nan 0.000 0.435 270 L N -0.389 120.638 121.223 -0.326 0.000 2.492 270 L HA 0.050 4.384 4.340 -0.010 0.000 0.223 270 L C 2.448 179.155 176.870 -0.271 0.000 1.132 270 L CA 1.096 55.788 54.840 -0.247 0.000 0.850 270 L CB -1.457 40.348 42.059 -0.424 0.000 0.966 270 L HN 0.255 nan 8.230 nan 0.000 0.454 271 G N -0.405 108.343 108.800 -0.086 0.000 2.402 271 G HA2 -0.239 3.715 3.960 -0.010 0.000 0.216 271 G HA3 -0.239 3.715 3.960 -0.010 0.000 0.216 271 G C 1.397 176.170 174.900 -0.212 0.000 1.162 271 G CA 0.169 45.138 45.100 -0.219 0.000 0.777 271 G HN 0.422 nan 8.290 nan 0.000 0.539 272 Q N -0.434 119.292 119.800 -0.122 0.000 2.392 272 Q HA 0.109 4.443 4.340 -0.010 0.000 0.203 272 Q C -0.100 175.687 176.000 -0.354 0.000 0.917 272 Q CA 0.237 55.922 55.803 -0.196 0.000 0.939 272 Q CB 0.426 29.053 28.738 -0.185 0.000 1.063 272 Q HN 0.551 nan 8.270 nan 0.000 0.516 273 H N -0.188 118.821 119.070 -0.102 0.000 2.448 273 H HA 0.126 4.676 4.556 -0.010 0.000 0.237 273 H C 0.509 175.814 175.328 -0.039 0.000 1.391 273 H CA -0.056 55.988 56.048 -0.007 0.000 1.477 273 H CB 1.009 30.855 29.762 0.139 0.000 1.520 273 H HN 0.171 nan 8.280 nan 0.000 0.502 274 S N 0.371 116.058 115.700 -0.022 0.000 2.507 274 S HA -0.167 4.297 4.470 -0.010 0.000 0.235 274 S C 1.458 176.066 174.600 0.013 0.000 0.988 274 S CA 1.154 59.317 58.200 -0.062 0.000 0.944 274 S CB 0.096 63.240 63.200 -0.093 0.000 0.762 274 S HN 0.577 nan 8.310 nan 0.000 0.526 275 D N 2.274 122.713 120.400 0.065 0.000 2.137 275 D HA -0.045 4.589 4.640 -0.010 0.000 0.202 275 D C 1.942 178.313 176.300 0.118 0.000 0.970 275 D CA 0.638 54.684 54.000 0.077 0.000 0.837 275 D CB -0.638 40.211 40.800 0.082 0.000 0.981 275 D HN 0.533 nan 8.370 nan 0.000 0.475 276 I N 0.472 121.155 120.570 0.188 0.000 2.252 276 I HA -0.178 3.986 4.170 -0.010 0.000 0.245 276 I C 2.932 179.206 176.117 0.262 0.000 1.102 276 I CA 0.699 62.162 61.300 0.271 0.000 1.385 276 I CB -0.317 37.878 38.000 0.325 0.000 1.064 276 I HN -0.063 nan 8.210 nan 0.000 0.414 277 R N 1.112 121.708 120.500 0.161 0.000 2.091 277 R HA -0.199 4.135 4.340 -0.010 0.000 0.238 277 R C 2.237 178.624 176.300 0.145 0.000 1.136 277 R CA 1.559 57.735 56.100 0.126 0.000 0.959 277 R CB -0.040 30.231 30.300 -0.048 0.000 0.856 277 R HN 0.289 nan 8.270 nan 0.000 0.437 278 E N 0.239 120.497 120.200 0.096 0.000 2.106 278 E HA -0.166 4.178 4.350 -0.010 0.000 0.192 278 E C 2.091 178.733 176.600 0.069 0.000 0.984 278 E CA 1.031 57.476 56.400 0.075 0.000 0.806 278 E CB -0.070 29.654 29.700 0.041 0.000 0.750 278 E HN 0.419 nan 8.360 nan 0.000 0.458 279 R N 0.413 120.947 120.500 0.057 0.000 2.096 279 R HA -0.068 4.266 4.340 -0.010 0.000 0.235 279 R C 2.476 178.803 176.300 0.044 0.000 1.127 279 R CA 0.918 56.978 56.100 -0.067 0.000 0.968 279 R CB -0.344 29.770 30.300 -0.311 0.000 0.861 279 R HN 0.018 nan 8.270 nan 0.000 0.440 280 V N 0.982 121.063 119.914 0.279 0.000 2.343 280 V HA -0.260 3.854 4.120 -0.010 0.000 0.247 280 V C 2.468 178.688 176.094 0.211 0.000 1.051 280 V CA 1.826 64.333 62.300 0.345 0.000 1.036 280 V CB -0.534 31.518 31.823 0.382 0.000 0.654 280 V HN 0.299 nan 8.190 nan 0.000 0.451 281 R N -0.275 120.327 120.500 0.170 0.000 2.075 281 R HA -0.205 4.129 4.340 -0.010 0.000 0.232 281 R C 2.454 178.805 176.300 0.084 0.000 1.126 281 R CA 1.816 57.993 56.100 0.128 0.000 0.963 281 R CB -0.273 30.098 30.300 0.118 0.000 0.858 281 R HN 0.630 nan 8.270 nan 0.000 0.435 282 Q N 0.382 120.217 119.800 0.058 0.000 2.124 282 Q HA -0.239 4.095 4.340 -0.010 0.000 0.202 282 Q C 1.837 177.855 176.000 0.030 0.000 0.977 282 Q CA 1.919 57.737 55.803 0.026 0.000 0.850 282 Q CB 0.015 28.747 28.738 -0.011 0.000 0.901 282 Q HN 0.464 nan 8.270 nan 0.000 0.429 283 E N 0.209 120.441 120.200 0.052 0.000 2.047 283 E HA -0.236 4.108 4.350 -0.010 0.000 0.191 283 E C 1.840 178.483 176.600 0.072 0.000 0.987 283 E CA 1.422 57.864 56.400 0.069 0.000 0.799 283 E CB -0.013 29.765 29.700 0.130 0.000 0.752 283 E HN 0.610 nan 8.360 nan 0.000 0.449 284 Q N -0.387 119.463 119.800 0.084 0.000 2.482 284 Q HA -0.001 4.333 4.340 -0.010 0.000 0.209 284 Q C 1.149 177.180 176.000 0.051 0.000 0.961 284 Q CA 0.919 56.764 55.803 0.070 0.000 0.945 284 Q CB -0.102 28.685 28.738 0.082 0.000 1.012 284 Q HN 0.310 nan 8.270 nan 0.000 0.515 285 N N 0.788 119.515 118.700 0.045 0.000 2.402 285 N HA 0.032 4.766 4.740 -0.010 0.000 0.174 285 N C 1.005 176.530 175.510 0.025 0.000 1.027 285 N CA 0.130 53.200 53.050 0.032 0.000 0.891 285 N CB 0.251 38.756 38.487 0.030 0.000 1.016 285 N HN 0.153 nan 8.380 nan 0.000 0.439 286 K N 0.697 121.113 120.400 0.026 0.000 2.555 286 K HA 0.051 4.364 4.320 -0.010 0.000 0.193 286 K C 0.807 177.421 176.600 0.023 0.000 1.032 286 K CA 0.380 56.680 56.287 0.021 0.000 1.004 286 K CB 0.241 32.753 32.500 0.019 0.000 0.804 286 K HN 0.182 nan 8.250 nan 0.000 0.496 287 L N -0.119 121.120 121.223 0.027 0.000 2.674 287 L HA 0.259 4.593 4.340 -0.010 0.000 0.182 287 L C 0.409 177.291 176.870 0.020 0.000 1.867 287 L CA -0.441 54.414 54.840 0.025 0.000 2.994 287 L CB 0.135 42.212 42.059 0.030 0.000 2.945 287 L HN -0.026 nan 8.230 nan 0.000 0.729 288 Q N 0.861 120.672 119.800 0.019 0.000 3.088 288 Q HA 0.454 4.788 4.340 -0.010 0.000 0.205 288 Q C -1.373 174.635 176.000 0.013 0.000 0.782 288 Q CA -0.208 55.603 55.803 0.014 0.000 0.897 288 Q CB -0.111 28.633 28.738 0.011 0.000 1.495 288 Q HN 0.394 nan 8.270 nan 0.000 0.459 289 L N 0.348 121.580 121.223 0.015 0.000 2.469 289 L HA 0.881 5.215 4.340 -0.010 0.000 0.253 289 L C 0.905 177.779 176.870 0.005 0.000 1.143 289 L CA -0.257 54.589 54.840 0.011 0.000 0.804 289 L CB 1.830 43.898 42.059 0.015 0.000 1.214 289 L HN 0.741 nan 8.230 nan 0.000 0.476 290 S N -1.432 114.269 115.700 0.002 0.000 4.135 290 S HA 0.081 4.545 4.470 -0.010 0.000 0.190 290 S C 0.533 175.129 174.600 -0.006 0.000 1.236 290 S CA -0.474 57.724 58.200 -0.004 0.000 1.194 290 S CB 0.122 63.320 63.200 -0.004 0.000 1.975 290 S HN 0.466 nan 8.310 nan 0.000 0.727 291 Q N 1.794 121.590 119.800 -0.007 0.000 2.376 291 Q HA 0.355 4.689 4.340 -0.010 0.000 0.206 291 Q C 0.496 176.494 176.000 -0.003 0.000 0.921 291 Q CA 0.828 56.627 55.803 -0.007 0.000 0.911 291 Q CB -0.316 28.416 28.738 -0.010 0.000 1.032 291 Q HN 0.690 nan 8.270 nan 0.000 0.510 292 E N 0.929 121.128 120.200 -0.002 0.000 2.406 292 E HA 0.197 4.541 4.350 -0.010 0.000 0.247 292 E C -0.744 175.857 176.600 0.003 0.000 1.160 292 E CA 0.350 56.750 56.400 -0.000 0.000 0.950 292 E CB -0.950 28.750 29.700 0.000 0.000 0.993 292 E HN 0.339 nan 8.360 nan 0.000 0.472 293 L N 2.979 124.204 121.223 0.003 0.000 2.491 293 L HA 0.520 4.854 4.340 -0.010 0.000 0.267 293 L C -0.090 176.782 176.870 0.005 0.000 0.971 293 L CA -0.479 54.364 54.840 0.005 0.000 0.857 293 L CB 2.192 44.255 42.059 0.005 0.000 1.226 293 L HN 0.635 nan 8.230 nan 0.000 0.408 294 T N 0.674 115.232 114.554 0.006 0.000 2.937 294 T HA 0.545 4.889 4.350 -0.010 0.000 0.283 294 T C 1.181 175.884 174.700 0.005 0.000 1.012 294 T CA -0.087 62.016 62.100 0.004 0.000 0.997 294 T CB 1.812 70.682 68.868 0.003 0.000 1.136 294 T HN 0.550 nan 8.240 nan 0.000 0.551 295 A N 0.305 123.127 122.820 0.004 0.000 1.972 295 A HA -0.081 4.233 4.320 -0.010 0.000 0.219 295 A C 2.082 179.669 177.584 0.006 0.000 1.169 295 A CA 1.092 53.131 52.037 0.004 0.000 0.635 295 A CB -0.696 18.304 19.000 0.001 0.000 0.810 295 A HN 0.805 nan 8.150 nan 0.000 0.446 296 E N -0.470 119.733 120.200 0.006 0.000 2.285 296 E HA -0.057 4.287 4.350 -0.010 0.000 0.194 296 E C 1.891 178.498 176.600 0.013 0.000 0.997 296 E CA 1.271 57.676 56.400 0.009 0.000 0.845 296 E CB -0.918 28.786 29.700 0.007 0.000 0.782 296 E HN 0.557 nan 8.360 nan 0.000 0.491 297 T N 1.923 116.485 114.554 0.013 0.000 2.737 297 T HA -0.032 4.311 4.350 -0.010 0.000 0.265 297 T C 2.036 176.748 174.700 0.021 0.000 1.038 297 T CA 0.704 62.814 62.100 0.017 0.000 1.144 297 T CB -0.184 68.693 68.868 0.015 0.000 0.866 297 T HN 0.098 nan 8.240 nan 0.000 0.434 298 L N 0.360 121.593 121.223 0.017 0.000 2.265 298 L HA -0.012 4.322 4.340 -0.010 0.000 0.215 298 L C 2.241 179.123 176.870 0.021 0.000 1.117 298 L CA 1.100 55.950 54.840 0.018 0.000 0.782 298 L CB -0.419 41.645 42.059 0.008 0.000 0.914 298 L HN 0.162 nan 8.230 nan 0.000 0.441 299 K N 0.083 120.495 120.400 0.020 0.000 2.487 299 K HA 0.004 4.318 4.320 -0.010 0.000 0.192 299 K C 0.802 177.418 176.600 0.028 0.000 1.027 299 K CA 0.391 56.691 56.287 0.022 0.000 1.054 299 K CB 0.210 32.721 32.500 0.018 0.000 0.824 299 K HN 0.182 nan 8.250 nan 0.000 0.510 300 K N 0.547 120.966 120.400 0.032 0.000 2.675 300 K HA 0.229 4.543 4.320 -0.010 0.000 0.213 300 K C -0.185 176.447 176.600 0.053 0.000 1.074 300 K CA 0.032 56.342 56.287 0.039 0.000 1.172 300 K CB 0.435 32.956 32.500 0.034 0.000 0.927 300 K HN 0.049 nan 8.250 nan 0.000 0.471 301 M N 1.545 121.179 119.600 0.057 0.000 2.746 301 M HA 0.151 4.625 4.480 -0.010 0.000 0.209 301 M C -1.941 174.409 176.300 0.084 0.000 1.077 301 M CA -1.670 53.677 55.300 0.079 0.000 0.695 301 M CB 1.228 33.872 32.600 0.073 0.000 1.416 301 M HN -0.135 nan 8.290 nan 0.000 0.459 302 P HA -0.214 nan 4.420 nan 0.000 0.217 302 P C 1.147 178.518 177.300 0.118 0.000 1.150 302 P CA 1.535 64.689 63.100 0.091 0.000 0.832 302 P CB 0.066 31.823 31.700 0.094 0.000 0.787 303 Y N 0.910 121.239 120.300 0.050 0.000 2.220 303 Y HA -0.100 4.444 4.550 -0.011 0.000 0.291 303 Y C 2.375 178.320 175.900 0.075 0.000 1.129 303 Y CA 0.880 59.014 58.100 0.057 0.000 1.161 303 Y CB -1.040 37.455 38.460 0.058 0.000 0.997 303 Y HN -0.247 nan 8.280 nan 0.000 0.522 304 L N 0.645 121.896 121.223 0.047 0.000 2.046 304 L HA -0.199 4.135 4.340 -0.010 0.000 0.208 304 L C 1.818 178.660 176.870 -0.046 0.000 1.077 304 L CA 2.160 57.007 54.840 0.011 0.000 0.747 304 L CB -1.068 41.055 42.059 0.107 0.000 0.896 304 L HN 0.139 nan 8.230 nan 0.000 0.432 305 D N -0.469 119.915 120.400 -0.026 0.000 2.157 305 D HA -0.271 4.363 4.640 -0.010 0.000 0.191 305 D C 2.188 178.420 176.300 -0.113 0.000 1.004 305 D CA 1.747 55.722 54.000 -0.042 0.000 0.854 305 D CB -0.184 40.609 40.800 -0.011 0.000 0.936 305 D HN 0.548 nan 8.370 nan 0.000 0.446 306 Q N -0.111 119.596 119.800 -0.156 0.000 2.050 306 Q HA -0.104 4.230 4.340 -0.010 0.000 0.202 306 Q C 2.431 178.274 176.000 -0.263 0.000 0.980 306 Q CA 0.922 56.608 55.803 -0.194 0.000 0.840 306 Q CB -0.041 28.590 28.738 -0.179 0.000 0.898 306 Q HN 0.181 nan 8.270 nan 0.000 0.424 307 V N 1.195 120.930 119.914 -0.299 0.000 2.332 307 V HA -0.266 3.848 4.120 -0.010 0.000 0.248 307 V C 2.158 178.273 176.094 0.035 0.000 1.055 307 V CA 1.595 63.812 62.300 -0.138 0.000 1.038 307 V CB -0.485 31.319 31.823 -0.031 0.000 0.651 307 V HN 0.343 nan 8.190 nan 0.000 0.450 308 L N -0.818 120.413 121.223 0.013 0.000 2.109 308 L HA -0.123 4.211 4.340 -0.010 0.000 0.207 308 L C 2.753 179.597 176.870 -0.043 0.000 1.086 308 L CA 1.013 55.888 54.840 0.058 0.000 0.760 308 L CB -0.668 41.418 42.059 0.044 0.000 0.910 308 L HN 0.294 nan 8.230 nan 0.000 0.437 309 Q N 0.097 119.755 119.800 -0.238 0.000 2.112 309 Q HA -0.277 4.057 4.340 -0.010 0.000 0.206 309 Q C 2.074 177.748 176.000 -0.544 0.000 0.987 309 Q CA 1.841 57.318 55.803 -0.543 0.000 0.858 309 Q CB -0.153 27.802 28.738 -1.306 0.000 0.905 309 Q HN 0.442 nan 8.270 nan 0.000 0.420 310 E N 0.166 120.137 120.200 -0.381 0.000 2.158 310 E HA -0.062 4.282 4.350 -0.010 0.000 0.191 310 E C 1.985 178.689 176.600 0.173 0.000 0.982 310 E CA 0.451 56.809 56.400 -0.070 0.000 0.823 310 E CB -0.008 29.613 29.700 -0.133 0.000 0.766 310 E HN 0.051 nan 8.360 nan 0.000 0.468 311 V N 1.009 121.092 119.914 0.281 0.000 2.255 311 V HA -0.288 3.826 4.120 -0.010 0.000 0.247 311 V C 2.446 178.620 176.094 0.132 0.000 1.051 311 V CA 1.970 64.435 62.300 0.274 0.000 1.018 311 V CB -0.562 31.417 31.823 0.260 0.000 0.641 311 V HN 0.346 nan 8.190 nan 0.000 0.445 312 L N -0.607 120.662 121.223 0.076 0.000 2.191 312 L HA -0.156 4.178 4.340 -0.010 0.000 0.212 312 L C 2.758 179.673 176.870 0.076 0.000 1.103 312 L CA 1.259 56.108 54.840 0.015 0.000 0.769 312 L CB -0.647 41.367 42.059 -0.075 0.000 0.908 312 L HN 0.280 nan 8.230 nan 0.000 0.438 313 R N 0.625 121.184 120.500 0.099 0.000 2.055 313 R HA -0.141 4.193 4.340 -0.010 0.000 0.228 313 R C 2.259 178.590 176.300 0.052 0.000 1.143 313 R CA 1.551 57.635 56.100 -0.028 0.000 0.945 313 R CB -0.647 29.614 30.300 -0.065 0.000 0.841 313 R HN 0.221 nan 8.270 nan 0.000 0.429 314 L N 0.917 122.180 121.223 0.067 0.000 2.027 314 L HA 0.044 4.378 4.340 -0.010 0.000 0.206 314 L C 0.757 177.677 176.870 0.083 0.000 1.074 314 L CA 1.725 56.616 54.840 0.085 0.000 0.745 314 L CB -0.045 42.113 42.059 0.165 0.000 0.898 314 L HN 0.124 nan 8.230 nan 0.000 0.433 315 I N 1.029 121.642 120.570 0.072 0.000 2.668 315 I HA 0.267 4.431 4.170 -0.010 0.000 0.276 315 I C -2.356 173.770 176.117 0.015 0.000 1.139 315 I CA -1.773 59.546 61.300 0.033 0.000 1.133 315 I CB 0.888 38.891 38.000 0.005 0.000 1.327 315 I HN 0.023 nan 8.210 nan 0.000 0.520 316 P HA 0.224 nan 4.420 nan 0.000 0.276 316 P C -2.114 175.140 177.300 -0.077 0.000 1.243 316 P CA -1.448 61.624 63.100 -0.046 0.000 0.768 316 P CB 0.478 32.118 31.700 -0.101 0.000 0.856 317 P HA -0.091 nan 4.420 nan 0.000 0.218 317 P C -0.076 177.178 177.300 -0.077 0.000 1.149 317 P CA 1.191 64.244 63.100 -0.078 0.000 0.817 317 P CB 0.248 31.898 31.700 -0.084 0.000 0.785 318 V N -0.202 119.659 119.914 -0.088 0.000 2.384 318 V HA 0.400 4.514 4.120 -0.010 0.000 0.287 318 V C 1.580 177.618 176.094 -0.092 0.000 1.020 318 V CA -0.078 62.187 62.300 -0.058 0.000 0.850 318 V CB 1.013 32.837 31.823 0.000 0.000 0.987 318 V HN 0.044 nan 8.190 nan 0.000 0.436 319 G N 3.074 111.815 108.800 -0.098 0.000 2.421 319 G HA2 0.439 4.393 3.960 -0.010 0.000 0.217 319 G HA3 0.439 4.393 3.960 -0.010 0.000 0.217 319 G C 0.582 175.364 174.900 -0.198 0.000 1.143 319 G CA 0.838 45.867 45.100 -0.119 0.000 0.784 319 G HN 1.200 nan 8.290 nan 0.000 0.541 320 G N -2.567 106.080 108.800 -0.254 0.000 2.320 320 G HA2 0.572 4.526 3.960 -0.010 0.000 0.296 320 G HA3 0.572 4.526 3.960 -0.010 0.000 0.296 320 G C -0.702 173.807 174.900 -0.652 0.000 1.306 320 G CA 0.066 44.776 45.100 -0.650 0.000 0.836 320 G HN 0.798 nan 8.290 nan 0.000 0.517 321 G N -1.705 106.309 108.800 -1.311 0.000 2.816 321 G HA2 0.836 4.790 3.960 -0.010 0.000 0.288 321 G HA3 0.836 4.790 3.960 -0.010 0.000 0.288 321 G C -1.693 172.491 174.900 -1.194 0.000 1.334 321 G CA -0.893 43.649 45.100 -0.930 0.000 0.978 321 G HN 0.625 nan 8.290 nan 0.000 0.493 322 F N -0.356 119.227 119.950 -0.612 0.000 2.578 322 F HA 0.706 5.227 4.527 -0.010 0.000 0.311 322 F C 0.157 175.754 175.800 -0.339 0.000 1.094 322 F CA -1.058 56.683 58.000 -0.433 0.000 0.923 322 F CB 2.635 41.389 39.000 -0.410 0.000 1.230 322 F HN -0.007 nan 8.300 nan 0.000 0.450 323 R N 1.351 121.826 120.500 -0.042 0.000 2.621 323 R HA 0.291 4.625 4.340 -0.010 0.000 0.284 323 R C -1.132 175.216 176.300 0.081 0.000 0.998 323 R CA -0.864 55.229 56.100 -0.011 0.000 0.895 323 R CB 2.380 32.640 30.300 -0.067 0.000 1.195 323 R HN 0.783 nan 8.270 nan 0.000 0.450 324 E N 2.792 123.042 120.200 0.083 0.000 2.283 324 E HA 0.218 4.562 4.350 -0.010 0.000 0.278 324 E C -0.553 176.139 176.600 0.152 0.000 1.027 324 E CA -0.567 55.895 56.400 0.104 0.000 0.843 324 E CB 0.903 30.633 29.700 0.049 0.000 1.062 324 E HN 0.352 nan 8.360 nan 0.000 0.401 325 L N 6.313 127.637 121.223 0.169 0.000 2.361 325 L HA 0.131 4.465 4.340 -0.010 0.000 0.278 325 L C 1.116 177.993 176.870 0.012 0.000 1.113 325 L CA 0.149 55.039 54.840 0.084 0.000 0.849 325 L CB 0.501 42.642 42.059 0.138 0.000 1.155 325 L HN 0.669 nan 8.230 nan 0.000 0.452 326 I N -0.752 119.776 120.570 -0.069 0.000 3.854 326 I HA 0.212 4.376 4.170 -0.010 0.000 0.312 326 I C 0.686 176.764 176.117 -0.065 0.000 1.273 326 I CA 0.036 61.306 61.300 -0.050 0.000 1.298 326 I CB 0.114 38.085 38.000 -0.049 0.000 1.071 326 I HN 0.553 nan 8.210 nan 0.000 0.428 327 Q N 1.538 121.269 119.800 -0.116 0.000 2.297 327 Q HA 0.303 4.637 4.340 -0.010 0.000 0.268 327 Q C -1.215 174.757 176.000 -0.047 0.000 1.045 327 Q CA -0.818 54.933 55.803 -0.087 0.000 0.861 327 Q CB 2.448 31.107 28.738 -0.132 0.000 1.344 327 Q HN 0.148 nan 8.270 nan 0.000 0.452 328 D N 0.087 120.492 120.400 0.008 0.000 2.351 328 D HA 0.242 4.876 4.640 -0.010 0.000 0.251 328 D C -1.180 175.175 176.300 0.091 0.000 1.137 328 D CA 0.311 54.357 54.000 0.077 0.000 0.879 328 D CB 0.579 41.456 40.800 0.128 0.000 1.181 328 D HN 0.329 nan 8.370 nan 0.000 0.448 329 C N 1.827 121.225 119.300 0.164 0.000 3.154 329 C HA 0.641 5.095 4.460 -0.010 0.000 0.312 329 C C -1.167 173.978 174.990 0.257 0.000 1.349 329 C CA -0.661 58.466 59.018 0.182 0.000 1.518 329 C CB 1.683 29.539 27.740 0.194 0.000 1.934 329 C HN 0.722 nan 8.230 nan 0.000 0.462 330 Q N 0.871 120.763 119.800 0.153 0.000 2.397 330 Q HA 0.844 5.178 4.340 -0.010 0.000 0.275 330 Q C -1.540 174.399 176.000 -0.101 0.000 1.090 330 Q CA -0.463 55.418 55.803 0.130 0.000 0.809 330 Q CB 2.514 31.314 28.738 0.103 0.000 1.362 330 Q HN 0.588 nan 8.270 nan 0.000 0.431 331 F N 1.363 121.111 119.950 -0.338 0.000 2.588 331 F HA 0.280 4.801 4.527 -0.010 0.000 0.318 331 F C -0.732 174.973 175.800 -0.159 0.000 1.155 331 F CA -0.383 57.251 58.000 -0.611 0.000 0.967 331 F CB 2.111 40.171 39.000 -1.566 0.000 1.236 331 F HN 0.905 nan 8.300 nan 0.000 0.455 332 Q N 4.561 123.827 119.800 -0.890 0.000 2.406 332 Q HA -0.179 4.155 4.340 -0.010 0.000 0.339 332 Q C 1.107 176.858 176.000 -0.415 0.000 1.337 332 Q CA 1.488 56.889 55.803 -0.668 0.000 0.985 332 Q CB -1.244 26.976 28.738 -0.864 0.000 1.216 332 Q HN 1.540 nan 8.270 nan 0.000 0.415 333 G N -1.786 106.819 108.800 -0.325 0.000 2.179 333 G HA2 -0.310 3.644 3.960 -0.010 0.000 0.260 333 G HA3 -0.310 3.644 3.960 -0.010 0.000 0.260 333 G C -0.258 174.393 174.900 -0.414 0.000 0.977 333 G CA 0.161 45.035 45.100 -0.377 0.000 0.641 333 G HN 0.350 nan 8.290 nan 0.000 0.533 334 F N 0.694 120.691 119.950 0.079 0.000 2.480 334 F HA 0.521 5.042 4.527 -0.010 0.000 0.329 334 F C 0.750 176.728 175.800 0.296 0.000 1.091 334 F CA -1.254 56.849 58.000 0.171 0.000 0.972 334 F CB 1.143 40.260 39.000 0.196 0.000 1.150 334 F HN 0.141 nan 8.300 nan 0.000 0.467 335 H N 3.534 122.777 119.070 0.288 0.000 2.819 335 H HA 0.199 4.749 4.556 -0.010 0.000 0.303 335 H C -1.161 174.254 175.328 0.146 0.000 1.058 335 H CA -0.098 56.049 56.048 0.166 0.000 1.471 335 H CB 0.312 30.081 29.762 0.011 0.000 1.480 335 H HN 0.498 nan 8.280 nan 0.000 0.517 336 F N 7.864 127.724 119.950 -0.151 0.000 2.303 336 F HA 0.237 4.757 4.527 -0.010 0.000 0.368 336 F C -1.962 173.530 175.800 -0.513 0.000 1.105 336 F CA -2.268 55.590 58.000 -0.236 0.000 1.153 336 F CB 1.023 40.089 39.000 0.111 0.000 1.362 336 F HN 0.524 nan 8.300 nan 0.000 0.511 337 P HA 0.007 nan 4.420 nan 0.000 0.276 337 P C -0.577 176.533 177.300 -0.316 0.000 1.230 337 P CA -0.574 61.976 63.100 -0.916 0.000 0.776 337 P CB 0.677 31.503 31.700 -1.456 0.000 0.888 338 K N 2.601 122.945 120.400 -0.093 0.000 2.530 338 K HA 0.110 4.424 4.320 -0.010 0.000 0.280 338 K C 1.202 177.870 176.600 0.114 0.000 1.004 338 K CA 1.236 57.539 56.287 0.026 0.000 1.071 338 K CB -0.879 31.644 32.500 0.038 0.000 0.876 338 K HN 0.766 nan 8.250 nan 0.000 0.487 339 G N 2.997 111.881 108.800 0.141 0.000 2.225 339 G HA2 -0.244 3.710 3.960 -0.010 0.000 0.254 339 G HA3 -0.244 3.710 3.960 -0.010 0.000 0.254 339 G C -0.432 174.622 174.900 0.256 0.000 0.988 339 G CA 0.127 45.329 45.100 0.170 0.000 0.625 339 G HN 0.593 nan 8.290 nan 0.000 0.527 340 W N 0.177 121.469 121.300 -0.012 0.000 2.129 340 W HA 0.735 5.389 4.660 -0.010 0.000 0.349 340 W C 0.446 176.972 176.519 0.012 0.000 1.279 340 W CA -0.813 56.519 57.345 -0.022 0.000 1.306 340 W CB 0.210 29.651 29.460 -0.031 0.000 1.140 340 W HN 0.084 nan 8.180 nan 0.000 0.613 341 L N 1.352 122.698 121.223 0.204 0.000 2.360 341 L HA 0.518 4.852 4.340 -0.010 0.000 0.271 341 L C -0.253 176.721 176.870 0.173 0.000 1.057 341 L CA -0.924 54.006 54.840 0.150 0.000 0.803 341 L CB 1.215 43.314 42.059 0.066 0.000 1.207 341 L HN 0.021 nan 8.230 nan 0.000 0.445 342 V N 1.009 121.001 119.914 0.131 0.000 2.555 342 V HA 0.620 4.734 4.120 -0.010 0.000 0.302 342 V C -0.232 175.765 176.094 -0.162 0.000 1.038 342 V CA -0.639 61.692 62.300 0.051 0.000 0.887 342 V CB 1.785 33.684 31.823 0.126 0.000 0.991 342 V HN 0.747 nan 8.190 nan 0.000 0.434 343 S N 3.554 119.019 115.700 -0.391 0.000 2.478 343 S HA 0.648 5.112 4.470 -0.010 0.000 0.312 343 S C -0.984 173.229 174.600 -0.646 0.000 1.094 343 S CA -0.593 57.111 58.200 -0.826 0.000 1.081 343 S CB 0.667 62.970 63.200 -1.495 0.000 1.007 343 S HN 0.711 nan 8.310 nan 0.000 0.475 344 Y N 3.301 123.226 120.300 -0.625 0.000 2.326 344 Y HA 0.669 5.213 4.550 -0.010 0.000 0.337 344 Y C -0.178 175.513 175.900 -0.348 0.000 1.023 344 Y CA -0.842 56.999 58.100 -0.431 0.000 1.143 344 Y CB 0.792 38.989 38.460 -0.438 0.000 1.183 344 Y HN 0.358 nan 8.280 nan 0.000 0.485 345 Q N 5.850 125.531 119.800 -0.199 0.000 2.431 345 Q HA 0.308 4.642 4.340 -0.010 0.000 0.249 345 Q C 0.743 176.705 176.000 -0.064 0.000 1.025 345 Q CA -0.156 55.552 55.803 -0.158 0.000 0.835 345 Q CB 1.757 30.519 28.738 0.040 0.000 1.207 345 Q HN 1.080 nan 8.270 nan 0.000 0.490 346 I N 0.502 120.978 120.570 -0.157 0.000 2.226 346 I HA -0.322 3.842 4.170 -0.010 0.000 0.245 346 I C 2.152 178.098 176.117 -0.286 0.000 1.100 346 I CA 1.433 62.599 61.300 -0.223 0.000 1.374 346 I CB -0.216 37.616 38.000 -0.280 0.000 1.057 346 I HN 0.472 nan 8.210 nan 0.000 0.413 347 S N 0.809 116.423 115.700 -0.144 0.000 2.370 347 S HA -0.285 4.179 4.470 -0.010 0.000 0.226 347 S C 1.920 176.558 174.600 0.063 0.000 1.033 347 S CA 1.277 59.455 58.200 -0.038 0.000 1.011 347 S CB -0.700 62.503 63.200 0.006 0.000 0.852 347 S HN 0.527 nan 8.310 nan 0.000 0.457 348 Q N 0.801 120.659 119.800 0.097 0.000 2.079 348 Q HA -0.046 4.288 4.340 -0.010 0.000 0.200 348 Q C 2.458 178.578 176.000 0.199 0.000 0.974 348 Q CA 1.734 57.634 55.803 0.162 0.000 0.840 348 Q CB -0.713 28.141 28.738 0.195 0.000 0.898 348 Q HN 0.624 nan 8.270 nan 0.000 0.430 349 T N 0.223 114.893 114.554 0.194 0.000 2.720 349 T HA -0.178 4.165 4.350 -0.010 0.000 0.268 349 T C 1.335 176.338 174.700 0.504 0.000 1.037 349 T CA 1.382 63.665 62.100 0.305 0.000 1.144 349 T CB -0.351 68.697 68.868 0.301 0.000 0.864 349 T HN 0.458 nan 8.240 nan 0.000 0.444 350 H N -0.089 119.133 119.070 0.253 0.000 2.555 350 H HA 0.344 4.894 4.556 -0.010 0.000 0.269 350 H C 1.959 177.364 175.328 0.128 0.000 0.988 350 H CA 0.222 56.367 56.048 0.163 0.000 1.178 350 H CB 0.170 29.929 29.762 -0.006 0.000 1.373 350 H HN 0.340 nan 8.280 nan 0.000 0.588 351 A N 0.746 123.752 122.820 0.310 0.000 2.348 351 A HA 0.016 4.330 4.320 -0.010 0.000 0.224 351 A C 0.186 177.927 177.584 0.261 0.000 1.227 351 A CA -0.305 51.874 52.037 0.237 0.000 0.885 351 A CB 0.092 19.194 19.000 0.169 0.000 0.933 351 A HN 0.209 nan 8.150 nan 0.000 0.506 352 D N 1.082 121.678 120.400 0.327 0.000 2.401 352 D HA 0.149 4.783 4.640 -0.010 0.000 0.254 352 D C -1.204 175.222 176.300 0.210 0.000 1.192 352 D CA -1.417 52.727 54.000 0.240 0.000 0.885 352 D CB 1.172 42.101 40.800 0.214 0.000 1.147 352 D HN 0.107 nan 8.370 nan 0.000 0.478 353 P HA -0.069 nan 4.420 nan 0.000 0.229 353 P C 0.328 177.665 177.300 0.062 0.000 1.160 353 P CA 0.600 63.768 63.100 0.113 0.000 0.777 353 P CB 0.431 32.186 31.700 0.091 0.000 0.814 354 D N -0.317 120.109 120.400 0.043 0.000 2.123 354 D HA -0.073 4.561 4.640 -0.010 0.000 0.200 354 D C 1.973 178.231 176.300 -0.069 0.000 0.976 354 D CA 0.780 54.782 54.000 0.003 0.000 0.831 354 D CB -0.604 40.207 40.800 0.018 0.000 0.974 354 D HN 0.043 nan 8.370 nan 0.000 0.469 355 L N -0.390 120.758 121.223 -0.125 0.000 2.072 355 L HA -0.086 4.248 4.340 -0.010 0.000 0.205 355 L C 0.171 176.620 176.870 -0.702 0.000 1.079 355 L CA 1.371 55.955 54.840 -0.428 0.000 0.752 355 L CB -0.467 41.312 42.059 -0.466 0.000 0.906 355 L HN 0.056 nan 8.230 nan 0.000 0.436 356 Y N -1.000 119.320 120.300 0.033 0.000 2.681 356 Y HA 0.383 4.927 4.550 -0.010 0.000 0.347 356 Y C -2.167 173.744 175.900 0.018 0.000 1.029 356 Y CA -3.620 54.486 58.100 0.010 0.000 1.279 356 Y CB 0.156 38.639 38.460 0.038 0.000 1.096 356 Y HN -0.016 nan 8.280 nan 0.000 0.580 357 P HA -0.017 nan 4.420 nan 0.000 0.261 357 P C -0.347 177.004 177.300 0.085 0.000 1.183 357 P CA 0.714 63.854 63.100 0.067 0.000 0.761 357 P CB 0.422 32.140 31.700 0.029 0.000 0.785 358 D N 3.525 123.974 120.400 0.083 0.000 2.956 358 D HA -0.128 4.506 4.640 -0.010 0.000 0.240 358 D C -1.284 175.081 176.300 0.107 0.000 1.141 358 D CA 0.204 54.254 54.000 0.084 0.000 0.820 358 D CB -0.611 40.230 40.800 0.070 0.000 0.988 358 D HN 0.355 nan 8.370 nan 0.000 0.417 359 P HA -0.188 nan 4.420 nan 0.000 0.222 359 P C 1.281 178.647 177.300 0.110 0.000 1.147 359 P CA 1.166 64.356 63.100 0.150 0.000 0.790 359 P CB 0.315 32.116 31.700 0.168 0.000 0.780 360 E N 0.532 120.793 120.200 0.102 0.000 2.481 360 E HA -0.026 4.318 4.350 -0.010 0.000 0.195 360 E C 0.285 176.957 176.600 0.119 0.000 1.047 360 E CA 0.446 56.905 56.400 0.099 0.000 0.867 360 E CB -0.191 29.560 29.700 0.085 0.000 0.858 360 E HN 0.241 nan 8.360 nan 0.000 0.513 361 K N 1.009 121.481 120.400 0.120 0.000 2.183 361 K HA 0.205 4.519 4.320 -0.010 0.000 0.274 361 K C -0.811 175.876 176.600 0.146 0.000 1.009 361 K CA -0.857 55.517 56.287 0.145 0.000 0.888 361 K CB 0.982 33.551 32.500 0.115 0.000 1.078 361 K HN -0.038 nan 8.250 nan 0.000 0.459 362 F N 3.602 123.544 119.950 -0.013 0.000 2.439 362 F HA 0.071 4.592 4.527 -0.010 0.000 0.356 362 F C -0.322 175.395 175.800 -0.139 0.000 1.161 362 F CA -0.429 57.487 58.000 -0.140 0.000 1.151 362 F CB 0.190 38.968 39.000 -0.371 0.000 1.222 362 F HN 0.411 nan 8.300 nan 0.000 0.558 363 D N 8.370 128.494 120.400 -0.460 0.000 2.346 363 D HA 0.351 4.985 4.640 -0.010 0.000 0.255 363 D C -2.205 173.895 176.300 -0.334 0.000 1.276 363 D CA -2.211 51.577 54.000 -0.354 0.000 0.941 363 D CB 1.729 42.454 40.800 -0.125 0.000 1.199 363 D HN 0.161 nan 8.370 nan 0.000 0.537 364 P HA -0.153 nan 4.420 nan 0.000 0.218 364 P C 0.865 178.145 177.300 -0.034 0.000 1.146 364 P CA 0.875 63.836 63.100 -0.232 0.000 0.820 364 P CB 0.328 31.832 31.700 -0.326 0.000 0.778 365 E N -0.650 119.529 120.200 -0.035 0.000 2.463 365 E HA -0.137 4.207 4.350 -0.010 0.000 0.201 365 E C 1.755 178.307 176.600 -0.080 0.000 1.045 365 E CA 0.660 57.056 56.400 -0.007 0.000 0.872 365 E CB -0.418 29.283 29.700 0.002 0.000 0.797 365 E HN 0.431 nan 8.360 nan 0.000 0.538 366 R N -0.492 119.914 120.500 -0.158 0.000 2.148 366 R HA -0.027 4.307 4.340 -0.010 0.000 0.227 366 R C 1.331 177.276 176.300 -0.591 0.000 1.103 366 R CA 0.846 56.714 56.100 -0.387 0.000 0.983 366 R CB -0.113 29.877 30.300 -0.517 0.000 0.874 366 R HN 0.133 nan 8.270 nan 0.000 0.451 367 F N -0.024 119.851 119.950 -0.123 0.000 2.695 367 F HA 0.163 4.684 4.527 -0.010 0.000 0.303 367 F C 0.679 176.427 175.800 -0.087 0.000 1.091 367 F CA -0.147 57.776 58.000 -0.129 0.000 1.300 367 F CB 0.272 39.175 39.000 -0.163 0.000 1.071 367 F HN -0.255 nan 8.300 nan 0.000 0.578 368 T N 3.268 117.843 114.554 0.034 0.000 2.902 368 T HA -0.010 4.334 4.350 -0.010 0.000 0.301 368 T C -1.266 173.429 174.700 -0.009 0.000 1.012 368 T CA -0.747 61.374 62.100 0.035 0.000 1.151 368 T CB 0.817 69.706 68.868 0.035 0.000 0.946 368 T HN -0.091 nan 8.240 nan 0.000 0.542 369 P HA -0.232 nan 4.420 nan 0.000 0.235 369 P C 0.467 177.752 177.300 -0.025 0.000 1.116 369 P CA 1.728 64.831 63.100 0.004 0.000 0.991 369 P CB 0.095 31.810 31.700 0.025 0.000 0.764 370 D N -2.438 117.949 120.400 -0.021 0.000 2.402 370 D HA 0.237 4.871 4.640 -0.010 0.000 0.216 370 D C 1.136 177.367 176.300 -0.115 0.000 1.128 370 D CA -0.038 53.960 54.000 -0.003 0.000 0.833 370 D CB -0.175 40.674 40.800 0.083 0.000 0.971 370 D HN 0.125 nan 8.370 nan 0.000 0.503 371 G N 0.219 108.909 108.800 -0.183 0.000 2.667 371 G HA2 0.132 4.086 3.960 -0.010 0.000 0.250 371 G HA3 0.132 4.086 3.960 -0.010 0.000 0.250 371 G C 1.378 176.058 174.900 -0.367 0.000 1.212 371 G CA -0.100 44.873 45.100 -0.213 0.000 0.874 371 G HN 0.174 nan 8.290 nan 0.000 0.561 372 S N -0.086 115.457 115.700 -0.262 0.000 2.387 372 S HA -0.173 4.291 4.470 -0.010 0.000 0.230 372 S C 2.336 176.730 174.600 -0.343 0.000 1.035 372 S CA 1.599 59.656 58.200 -0.238 0.000 1.014 372 S CB -0.360 62.750 63.200 -0.150 0.000 0.836 372 S HN 1.047 nan 8.310 nan 0.000 0.466 373 A N 1.682 124.228 122.820 -0.456 0.000 2.169 373 A HA 0.123 4.437 4.320 -0.010 0.000 0.212 373 A C 2.373 179.739 177.584 -0.364 0.000 1.153 373 A CA 1.318 53.059 52.037 -0.493 0.000 0.756 373 A CB -1.048 17.385 19.000 -0.945 0.000 0.813 373 A HN 0.746 nan 8.150 nan 0.000 0.471 374 T N -1.833 112.474 114.554 -0.412 0.000 2.896 374 T HA -0.109 4.235 4.350 -0.010 0.000 0.263 374 T C 1.257 175.822 174.700 -0.226 0.000 1.050 374 T CA 1.228 63.151 62.100 -0.295 0.000 1.140 374 T CB -0.675 68.007 68.868 -0.310 0.000 0.877 374 T HN 0.765 nan 8.240 nan 0.000 0.457 375 H N 0.001 119.030 119.070 -0.068 0.000 2.503 375 H HA 0.437 4.988 4.556 -0.010 0.000 0.296 375 H C -0.187 175.106 175.328 -0.059 0.000 1.097 375 H CA -0.989 55.029 56.048 -0.051 0.000 1.055 375 H CB -0.361 29.378 29.762 -0.039 0.000 1.580 375 H HN 0.149 nan 8.280 nan 0.000 0.546 376 N N 3.312 121.997 118.700 -0.025 0.000 2.371 376 N HA 0.091 4.825 4.740 -0.010 0.000 0.243 376 N C -1.840 173.674 175.510 0.007 0.000 1.287 376 N CA -1.254 51.774 53.050 -0.037 0.000 0.911 376 N CB 0.639 39.053 38.487 -0.121 0.000 1.142 376 N HN 0.290 nan 8.380 nan 0.000 0.451 377 P HA 0.170 nan 4.420 nan 0.000 0.269 377 P C -2.519 174.808 177.300 0.045 0.000 1.217 377 P CA -0.671 62.458 63.100 0.048 0.000 0.783 377 P CB -0.711 31.035 31.700 0.077 0.000 0.898 378 P HA 0.037 nan 4.420 nan 0.000 0.267 378 P C -0.346 176.988 177.300 0.055 0.000 1.200 378 P CA 0.330 63.359 63.100 -0.117 0.000 0.772 378 P CB -0.192 31.377 31.700 -0.219 0.000 0.855 379 F N -1.058 118.985 119.950 0.155 0.000 2.965 379 F HA -0.233 4.288 4.527 -0.010 0.000 0.287 379 F C 1.333 177.266 175.800 0.222 0.000 0.790 379 F CA 0.713 58.831 58.000 0.198 0.000 1.279 379 F CB -2.456 36.664 39.000 0.201 0.000 1.409 379 F HN 0.366 nan 8.300 nan 0.000 0.446 380 A N -1.414 121.601 122.820 0.326 0.000 1.997 380 A HA 0.138 4.452 4.320 -0.010 0.000 0.212 380 A C 0.717 178.607 177.584 0.509 0.000 1.178 380 A CA 1.161 53.385 52.037 0.312 0.000 0.698 380 A CB -0.065 19.008 19.000 0.120 0.000 0.842 380 A HN 0.498 nan 8.150 nan 0.000 0.458 381 H N -0.128 119.168 119.070 0.376 0.000 2.718 381 H HA 0.478 5.028 4.556 -0.010 0.000 0.295 381 H C -0.679 174.914 175.328 0.441 0.000 1.051 381 H CA -0.295 55.985 56.048 0.387 0.000 1.260 381 H CB 1.251 31.221 29.762 0.346 0.000 1.403 381 H HN 0.148 nan 8.280 nan 0.000 0.488 382 V N 4.422 124.614 119.914 0.463 0.000 2.666 382 V HA 0.342 4.456 4.120 -0.010 0.000 0.306 382 V C -2.252 173.892 176.094 0.084 0.000 1.156 382 V CA -1.138 61.327 62.300 0.275 0.000 1.274 382 V CB 0.857 32.904 31.823 0.373 0.000 1.536 382 V HN 0.588 nan 8.190 nan 0.000 0.640 383 P HA -0.001 nan 4.420 nan 0.000 0.221 383 P C 0.762 177.777 177.300 -0.476 0.000 1.150 383 P CA 1.212 64.104 63.100 -0.346 0.000 0.800 383 P CB 0.077 31.422 31.700 -0.591 0.000 0.787 384 F N -0.550 119.419 119.950 0.031 0.000 2.639 384 F HA 0.437 4.957 4.527 -0.010 0.000 0.302 384 F C 1.797 177.623 175.800 0.044 0.000 1.097 384 F CA 0.392 58.413 58.000 0.036 0.000 1.294 384 F CB -0.274 38.731 39.000 0.009 0.000 1.027 384 F HN 0.045 nan 8.300 nan 0.000 0.550 385 G N 0.523 109.440 108.800 0.196 0.000 2.525 385 G HA2 0.194 4.148 3.960 -0.010 0.000 0.248 385 G HA3 0.194 4.148 3.960 -0.010 0.000 0.248 385 G C 0.088 174.864 174.900 -0.207 0.000 1.238 385 G CA -0.393 44.765 45.100 0.096 0.000 0.926 385 G HN 0.952 nan 8.290 nan 0.000 0.574 386 G N -3.196 105.113 108.800 -0.819 0.000 2.488 386 G HA2 0.772 4.726 3.960 -0.010 0.000 0.301 386 G HA3 0.772 4.726 3.960 -0.010 0.000 0.301 386 G C 1.074 175.263 174.900 -1.184 0.000 1.339 386 G CA 1.215 45.762 45.100 -0.922 0.000 0.803 386 G HN 2.795 nan 8.290 nan 0.000 0.482 387 G N -0.894 107.527 108.800 -0.631 0.000 2.596 387 G HA2 -0.221 3.733 3.960 -0.010 0.000 0.295 387 G HA3 -0.221 3.733 3.960 -0.010 0.000 0.295 387 G C 1.298 176.103 174.900 -0.158 0.000 1.240 387 G CA 0.663 45.591 45.100 -0.287 0.000 0.985 387 G HN 1.375 nan 8.290 nan 0.000 0.555 388 L N 0.645 121.831 121.223 -0.063 0.000 2.362 388 L HA 0.075 4.409 4.340 -0.010 0.000 0.219 388 L C 2.667 179.594 176.870 0.095 0.000 1.134 388 L CA 1.121 55.981 54.840 0.033 0.000 0.807 388 L CB -0.290 41.813 42.059 0.074 0.000 0.927 388 L HN 0.371 nan 8.230 nan 0.000 0.447 389 R N -0.227 120.284 120.500 0.018 0.000 2.508 389 R HA 0.143 4.477 4.340 -0.010 0.000 0.300 389 R C 0.067 176.402 176.300 0.058 0.000 0.970 389 R CA -0.148 56.008 56.100 0.095 0.000 1.102 389 R CB 0.105 30.454 30.300 0.082 0.000 1.246 389 R HN 0.297 nan 8.270 nan 0.000 0.539 390 E N 1.422 121.593 120.200 -0.048 0.000 2.608 390 E HA -0.128 4.216 4.350 -0.010 0.000 0.259 390 E C -0.214 176.405 176.600 0.032 0.000 0.951 390 E CA 0.058 56.433 56.400 -0.041 0.000 0.945 390 E CB 0.589 30.233 29.700 -0.094 0.000 0.916 390 E HN 0.144 nan 8.360 nan 0.000 0.477 391 C N 5.495 124.856 119.300 0.101 0.000 2.275 391 C HA -0.127 4.327 4.460 -0.010 0.000 0.391 391 C C 1.686 176.654 174.990 -0.037 0.000 1.503 391 C CA 0.187 59.260 59.018 0.092 0.000 1.502 391 C CB -1.072 26.808 27.740 0.233 0.000 2.529 391 C HN 0.928 nan 8.230 nan 0.000 0.588 392 L N 4.946 126.134 121.223 -0.058 0.000 2.375 392 L HA 0.283 4.616 4.340 -0.010 0.000 0.215 392 L C 2.047 178.712 176.870 -0.342 0.000 1.108 392 L CA 1.459 56.236 54.840 -0.106 0.000 0.830 392 L CB -0.165 41.881 42.059 -0.021 0.000 0.959 392 L HN 0.931 nan 8.230 nan 0.000 0.457 393 G N -0.591 107.939 108.800 -0.450 0.000 3.393 393 G HA2 -0.020 3.934 3.960 -0.010 0.000 0.255 393 G HA3 -0.020 3.934 3.960 -0.010 0.000 0.255 393 G C 1.264 175.955 174.900 -0.348 0.000 1.097 393 G CA 0.117 44.748 45.100 -0.781 0.000 0.780 393 G HN 0.430 nan 8.290 nan 0.000 0.540 394 K N 0.614 120.803 120.400 -0.352 0.000 2.113 394 K HA -0.111 4.203 4.320 -0.010 0.000 0.208 394 K C 1.477 177.868 176.600 -0.347 0.000 1.047 394 K CA 1.375 57.298 56.287 -0.608 0.000 0.928 394 K CB -0.031 31.708 32.500 -1.268 0.000 0.716 394 K HN 0.135 nan 8.250 nan 0.000 0.446 395 E N 0.355 120.459 120.200 -0.159 0.000 2.230 395 E HA -0.079 4.265 4.350 -0.010 0.000 0.192 395 E C 1.781 178.450 176.600 0.117 0.000 0.987 395 E CA 0.492 56.885 56.400 -0.011 0.000 0.841 395 E CB -0.308 29.424 29.700 0.054 0.000 0.783 395 E HN 0.370 nan 8.360 nan 0.000 0.481 396 F N 2.251 122.253 119.950 0.086 0.000 2.095 396 F HA -0.233 4.288 4.527 -0.011 0.000 0.298 396 F C 2.289 178.152 175.800 0.106 0.000 1.104 396 F CA 1.684 59.811 58.000 0.211 0.000 1.232 396 F CB -0.225 39.001 39.000 0.376 0.000 0.987 396 F HN 0.002 nan 8.300 nan 0.000 0.475 397 A N 0.465 123.417 122.820 0.219 0.000 1.883 397 A HA -0.227 4.087 4.320 -0.010 0.000 0.217 397 A C 2.318 179.920 177.584 0.029 0.000 1.186 397 A CA 1.996 54.120 52.037 0.145 0.000 0.624 397 A CB -0.795 18.362 19.000 0.261 0.000 0.822 397 A HN 0.467 nan 8.150 nan 0.000 0.444 398 R N -1.309 119.207 120.500 0.026 0.000 2.092 398 R HA -0.056 4.278 4.340 -0.010 0.000 0.231 398 R C 2.144 178.420 176.300 -0.041 0.000 1.119 398 R CA 1.232 57.340 56.100 0.012 0.000 0.970 398 R CB -0.525 29.779 30.300 0.006 0.000 0.864 398 R HN 0.504 nan 8.270 nan 0.000 0.440 399 L N 1.491 122.670 121.223 -0.073 0.000 1.990 399 L HA -0.243 4.091 4.340 -0.010 0.000 0.213 399 L C 2.176 178.951 176.870 -0.158 0.000 1.072 399 L CA 1.990 56.765 54.840 -0.108 0.000 0.755 399 L CB -0.442 41.541 42.059 -0.127 0.000 0.889 399 L HN 0.172 nan 8.230 nan 0.000 0.432 400 E N -1.165 118.875 120.200 -0.266 0.000 2.106 400 E HA -0.236 4.108 4.350 -0.010 0.000 0.192 400 E C 2.197 178.719 176.600 -0.130 0.000 0.984 400 E CA 1.349 57.602 56.400 -0.244 0.000 0.806 400 E CB -0.121 29.369 29.700 -0.350 0.000 0.750 400 E HN 0.559 nan 8.360 nan 0.000 0.458 401 M N 0.225 119.752 119.600 -0.121 0.000 2.117 401 M HA -0.161 4.313 4.480 -0.010 0.000 0.262 401 M C 2.448 178.669 176.300 -0.131 0.000 1.065 401 M CA 1.398 56.621 55.300 -0.129 0.000 1.114 401 M CB -0.122 32.425 32.600 -0.089 0.000 1.361 401 M HN -0.033 nan 8.290 nan 0.000 0.408 402 K N 0.299 120.647 120.400 -0.086 0.000 2.025 402 K HA -0.162 4.152 4.320 -0.010 0.000 0.207 402 K C 1.951 178.521 176.600 -0.050 0.000 1.049 402 K CA 1.069 57.316 56.287 -0.066 0.000 0.933 402 K CB -0.217 32.264 32.500 -0.032 0.000 0.714 402 K HN 0.102 nan 8.250 nan 0.000 0.438 403 L N 1.038 122.239 121.223 -0.036 0.000 2.012 403 L HA -0.192 4.142 4.340 -0.010 0.000 0.210 403 L C 2.023 178.894 176.870 0.001 0.000 1.073 403 L CA 1.691 56.522 54.840 -0.015 0.000 0.748 403 L CB -0.892 41.156 42.059 -0.019 0.000 0.891 403 L HN 0.177 nan 8.230 nan 0.000 0.431 404 F N 0.148 120.014 119.950 -0.139 0.000 2.102 404 F HA -0.171 4.350 4.527 -0.010 0.000 0.298 404 F C 2.314 178.017 175.800 -0.163 0.000 1.105 404 F CA 1.765 59.684 58.000 -0.134 0.000 1.239 404 F CB -0.592 38.297 39.000 -0.185 0.000 0.991 404 F HN 0.146 nan 8.300 nan 0.000 0.474 405 A N -0.405 122.289 122.820 -0.211 0.000 1.908 405 A HA -0.209 4.105 4.320 -0.010 0.000 0.218 405 A C 2.190 179.735 177.584 -0.065 0.000 1.181 405 A CA 2.453 54.259 52.037 -0.385 0.000 0.627 405 A CB -1.467 17.192 19.000 -0.568 0.000 0.818 405 A HN 0.472 nan 8.150 nan 0.000 0.445 406 T N -0.522 114.004 114.554 -0.047 0.000 2.701 406 T HA -0.096 4.248 4.350 -0.010 0.000 0.263 406 T C 2.129 176.835 174.700 0.011 0.000 1.040 406 T CA 1.298 63.410 62.100 0.021 0.000 1.147 406 T CB -0.215 68.663 68.868 0.016 0.000 0.865 406 T HN 0.335 nan 8.240 nan 0.000 0.426 407 R N 0.832 121.305 120.500 -0.045 0.000 2.120 407 R HA 0.070 4.404 4.340 -0.010 0.000 0.234 407 R C 2.320 178.615 176.300 -0.008 0.000 1.123 407 R CA 0.691 56.773 56.100 -0.031 0.000 0.975 407 R CB -1.179 29.096 30.300 -0.041 0.000 0.866 407 R HN 0.321 nan 8.270 nan 0.000 0.446 408 L N 0.628 121.775 121.223 -0.127 0.000 2.044 408 L HA 0.001 4.335 4.340 -0.010 0.000 0.205 408 L C 2.089 179.110 176.870 0.251 0.000 1.075 408 L CA 1.525 56.347 54.840 -0.030 0.000 0.747 408 L CB -0.339 41.465 42.059 -0.425 0.000 0.903 408 L HN 0.020 nan 8.230 nan 0.000 0.435 409 I N -0.326 120.410 120.570 0.277 0.000 2.353 409 I HA -0.274 3.890 4.170 -0.010 0.000 0.248 409 I C 2.586 178.847 176.117 0.240 0.000 1.119 409 I CA 1.336 62.866 61.300 0.383 0.000 1.417 409 I CB -0.316 37.928 38.000 0.406 0.000 1.078 409 I HN 0.516 nan 8.210 nan 0.000 0.421 410 Q N 0.875 120.764 119.800 0.148 0.000 2.170 410 Q HA -0.247 4.087 4.340 -0.010 0.000 0.203 410 Q C 1.818 177.830 176.000 0.021 0.000 0.976 410 Q CA 1.478 57.328 55.803 0.078 0.000 0.858 410 Q CB -0.198 28.568 28.738 0.047 0.000 0.907 410 Q HN 0.562 nan 8.270 nan 0.000 0.433 411 Q N -0.914 118.884 119.800 -0.002 0.000 2.394 411 Q HA 0.235 4.569 4.340 -0.010 0.000 0.218 411 Q C -0.506 175.216 176.000 -0.463 0.000 0.907 411 Q CA 0.199 55.837 55.803 -0.276 0.000 0.919 411 Q CB 0.707 29.218 28.738 -0.378 0.000 1.051 411 Q HN 0.216 nan 8.270 nan 0.000 0.538 412 F N 0.278 120.331 119.950 0.173 0.000 2.588 412 F HA 0.344 4.865 4.527 -0.011 0.000 0.310 412 F C -0.300 175.720 175.800 0.367 0.000 1.082 412 F CA -1.352 56.785 58.000 0.229 0.000 0.929 412 F CB 1.704 40.822 39.000 0.197 0.000 1.254 412 F HN -0.240 nan 8.300 nan 0.000 0.455 413 D N 0.782 121.490 120.400 0.515 0.000 2.332 413 D HA 0.446 5.080 4.640 -0.010 0.000 0.252 413 D C -1.025 175.503 176.300 0.381 0.000 1.050 413 D CA 0.090 54.347 54.000 0.429 0.000 0.970 413 D CB 1.619 42.635 40.800 0.361 0.000 1.141 413 D HN 0.577 nan 8.370 nan 0.000 0.485 414 W N -1.190 120.085 121.300 -0.042 0.000 3.118 414 W HA 0.581 5.235 4.660 -0.009 0.000 0.328 414 W C -1.552 174.940 176.519 -0.044 0.000 1.239 414 W CA -0.872 56.314 57.345 -0.264 0.000 1.176 414 W CB 0.587 29.970 29.460 -0.128 0.000 1.433 414 W HN 0.025 nan 8.180 nan 0.000 0.562 415 T N 3.159 117.765 114.554 0.088 0.000 2.812 415 T HA 0.453 4.797 4.350 -0.010 0.000 0.282 415 T C -0.471 174.318 174.700 0.149 0.000 0.990 415 T CA -0.704 61.473 62.100 0.129 0.000 0.960 415 T CB 1.018 70.030 68.868 0.241 0.000 0.948 415 T HN 0.431 nan 8.240 nan 0.000 0.438 416 L N 3.986 125.283 121.223 0.122 0.000 2.325 416 L HA 0.318 4.652 4.340 -0.010 0.000 0.284 416 L C 0.465 177.380 176.870 0.075 0.000 1.089 416 L CA -0.682 54.233 54.840 0.124 0.000 0.836 416 L CB -0.012 42.110 42.059 0.105 0.000 1.184 416 L HN 0.442 nan 8.230 nan 0.000 0.444 417 L N 5.277 126.542 121.223 0.070 0.000 2.559 417 L HA 0.043 4.377 4.340 -0.010 0.000 0.282 417 L C -1.843 175.049 176.870 0.036 0.000 1.232 417 L CA -1.427 53.442 54.840 0.049 0.000 0.885 417 L CB -0.170 41.912 42.059 0.039 0.000 1.131 417 L HN 0.337 nan 8.230 nan 0.000 0.498 418 P HA 0.077 nan 4.420 nan 0.000 0.272 418 P C 0.218 177.528 177.300 0.017 0.000 1.223 418 P CA 0.086 63.197 63.100 0.018 0.000 0.784 418 P CB 0.625 32.333 31.700 0.014 0.000 0.923 419 G N 0.985 109.792 108.800 0.012 0.000 2.367 419 G HA2 -0.173 3.781 3.960 -0.010 0.000 0.295 419 G HA3 -0.173 3.781 3.960 -0.010 0.000 0.295 419 G C -0.326 174.583 174.900 0.014 0.000 1.019 419 G CA 0.140 45.247 45.100 0.011 0.000 1.224 419 G HN 0.759 nan 8.290 nan 0.000 0.510 420 Q N -0.957 118.851 119.800 0.014 0.000 2.484 420 Q HA 0.629 4.963 4.340 -0.010 0.000 0.285 420 Q C -0.592 175.414 176.000 0.009 0.000 1.097 420 Q CA -1.393 54.419 55.803 0.015 0.000 0.802 420 Q CB 1.268 30.020 28.738 0.023 0.000 1.444 420 Q HN 0.086 nan 8.270 nan 0.000 0.429 421 N N 1.276 119.979 118.700 0.004 0.000 2.406 421 N HA 0.205 4.939 4.740 -0.010 0.000 0.251 421 N C -0.320 175.185 175.510 -0.009 0.000 1.069 421 N CA -0.121 52.927 53.050 -0.004 0.000 0.947 421 N CB 0.626 39.108 38.487 -0.008 0.000 1.111 421 N HN 0.745 nan 8.380 nan 0.000 0.497 422 L N 1.318 122.536 121.223 -0.007 0.000 2.607 422 L HA 0.231 4.565 4.340 -0.010 0.000 0.228 422 L C 0.617 177.473 176.870 -0.025 0.000 1.123 422 L CA -0.109 54.724 54.840 -0.012 0.000 0.890 422 L CB -0.140 41.918 42.059 -0.001 0.000 1.103 422 L HN 0.437 nan 8.230 nan 0.000 0.468 423 E N 1.283 121.468 120.200 -0.025 0.000 2.413 423 E HA 0.137 4.481 4.350 -0.010 0.000 0.263 423 E C -0.563 176.007 176.600 -0.049 0.000 1.015 423 E CA 0.257 56.640 56.400 -0.028 0.000 0.916 423 E CB 0.588 30.275 29.700 -0.022 0.000 0.947 423 E HN 0.112 nan 8.360 nan 0.000 0.440 424 L N 4.748 125.943 121.223 -0.048 0.000 2.264 424 L HA 0.368 4.701 4.340 -0.010 0.000 0.289 424 L C -0.473 176.354 176.870 -0.071 0.000 1.044 424 L CA -1.055 53.743 54.840 -0.070 0.000 0.807 424 L CB 0.933 42.959 42.059 -0.056 0.000 1.192 424 L HN 0.358 nan 8.230 nan 0.000 0.425 425 V N 1.522 121.376 119.914 -0.099 0.000 2.732 425 V HA 0.625 4.739 4.120 -0.010 0.000 0.310 425 V C -0.153 175.879 176.094 -0.104 0.000 1.053 425 V CA -0.689 61.556 62.300 -0.091 0.000 0.957 425 V CB 2.050 33.821 31.823 -0.086 0.000 1.018 425 V HN 0.392 nan 8.190 nan 0.000 0.452 426 V N 2.814 122.670 119.914 -0.097 0.000 2.320 426 V HA 0.461 4.575 4.120 -0.010 0.000 0.268 426 V C 0.381 176.406 176.094 -0.114 0.000 1.021 426 V CA 0.390 62.624 62.300 -0.111 0.000 0.813 426 V CB 0.701 32.448 31.823 -0.127 0.000 1.054 426 V HN 1.149 nan 8.190 nan 0.000 0.444 427 T N 0.424 114.935 114.554 -0.073 0.000 3.410 427 T HA 0.405 4.749 4.350 -0.010 0.000 0.328 427 T C -1.872 172.840 174.700 0.020 0.000 1.567 427 T CA -1.130 60.949 62.100 -0.034 0.000 1.626 427 T CB 1.355 70.218 68.868 -0.010 0.000 0.939 427 T HN 0.440 nan 8.240 nan 0.000 0.656 428 P HA 0.423 nan 4.420 nan 0.000 0.278 428 P C -0.244 176.979 177.300 -0.128 0.000 1.502 428 P CA -0.256 62.777 63.100 -0.112 0.000 1.114 428 P CB 0.595 32.225 31.700 -0.117 0.000 1.541 429 S N 1.153 116.823 115.700 -0.051 0.000 2.542 429 S HA 0.590 5.054 4.470 -0.010 0.000 0.293 429 S C -2.788 171.776 174.600 -0.060 0.000 1.089 429 S CA -1.595 56.576 58.200 -0.048 0.000 0.961 429 S CB 1.422 64.622 63.200 -0.000 0.000 1.062 429 S HN -0.119 nan 8.310 nan 0.000 0.483 430 P HA 0.104 nan 4.420 nan 0.000 0.261 430 P C -0.828 176.398 177.300 -0.123 0.000 1.183 430 P CA 0.261 63.309 63.100 -0.086 0.000 0.761 430 P CB 0.103 31.765 31.700 -0.064 0.000 0.785 431 R N 3.521 123.891 120.500 -0.216 0.000 2.698 431 R HA 0.602 4.936 4.340 -0.010 0.000 0.275 431 R C -3.171 172.933 176.300 -0.326 0.000 1.001 431 R CA -2.531 53.310 56.100 -0.431 0.000 0.896 431 R CB 1.335 31.071 30.300 -0.940 0.000 1.218 431 R HN 0.132 nan 8.270 nan 0.000 0.462 432 P HA 0.032 nan 4.420 nan 0.000 0.271 432 P C -0.231 176.965 177.300 -0.174 0.000 1.220 432 P CA -0.238 62.762 63.100 -0.167 0.000 0.768 432 P CB 1.516 33.160 31.700 -0.093 0.000 0.848 433 K N 2.174 122.508 120.400 -0.110 0.000 2.044 433 K HA -0.180 4.134 4.320 -0.010 0.000 0.210 433 K C 0.525 177.092 176.600 -0.056 0.000 1.049 433 K CA 1.676 57.913 56.287 -0.084 0.000 0.927 433 K CB -0.136 32.334 32.500 -0.051 0.000 0.713 433 K HN 0.381 nan 8.250 nan 0.000 0.443 434 D N 0.789 121.170 120.400 -0.032 0.000 2.352 434 D HA 0.031 4.665 4.640 -0.010 0.000 0.236 434 D C -0.410 175.903 176.300 0.021 0.000 1.148 434 D CA 0.169 54.169 54.000 -0.001 0.000 0.844 434 D CB -0.109 40.696 40.800 0.009 0.000 0.933 434 D HN 0.228 nan 8.370 nan 0.000 0.507 435 N N 0.586 119.289 118.700 0.004 0.000 2.708 435 N HA -0.240 4.494 4.740 -0.010 0.000 0.251 435 N C -0.120 175.476 175.510 0.143 0.000 1.123 435 N CA 0.327 53.428 53.050 0.086 0.000 0.739 435 N CB -1.104 37.473 38.487 0.150 0.000 1.113 435 N HN 0.394 nan 8.380 nan 0.000 0.561 436 L N -1.072 120.211 121.223 0.100 0.000 3.425 436 L HA -0.254 4.080 4.340 -0.010 0.000 0.686 436 L C -0.048 176.917 176.870 0.160 0.000 1.147 436 L CA 0.700 55.628 54.840 0.147 0.000 1.187 436 L CB -0.377 41.800 42.059 0.197 0.000 1.670 436 L HN 0.238 nan 8.230 nan 0.000 0.874 437 R N 1.720 122.279 120.500 0.099 0.000 2.234 437 R HA 0.590 4.924 4.340 -0.010 0.000 0.324 437 R C 0.095 176.428 176.300 0.055 0.000 1.054 437 R CA -0.230 55.902 56.100 0.054 0.000 0.912 437 R CB 1.445 31.767 30.300 0.037 0.000 1.030 437 R HN 0.336 nan 8.270 nan 0.000 0.455 438 V N -0.692 119.208 119.914 -0.022 0.000 3.130 438 V HA 0.621 4.735 4.120 -0.010 0.000 0.310 438 V C -0.788 175.228 176.094 -0.131 0.000 1.158 438 V CA -1.226 61.048 62.300 -0.044 0.000 1.029 438 V CB 2.471 34.230 31.823 -0.106 0.000 1.057 438 V HN 0.609 nan 8.190 nan 0.000 0.436 439 K N 2.006 122.354 120.400 -0.087 0.000 2.345 439 K HA 0.710 5.024 4.320 -0.010 0.000 0.255 439 K C -1.276 175.169 176.600 -0.258 0.000 0.934 439 K CA -0.593 55.624 56.287 -0.116 0.000 0.801 439 K CB 2.057 34.586 32.500 0.049 0.000 1.137 439 K HN 0.695 nan 8.250 nan 0.000 0.424 440 L N 4.029 125.062 121.223 -0.316 0.000 2.312 440 L HA 0.384 4.718 4.340 -0.010 0.000 0.281 440 L C -0.425 176.397 176.870 -0.080 0.000 1.070 440 L CA -0.754 53.888 54.840 -0.331 0.000 0.805 440 L CB 0.714 42.400 42.059 -0.622 0.000 1.174 440 L HN 0.642 nan 8.230 nan 0.000 0.434 441 H N 0.412 119.684 119.070 0.336 0.000 2.511 441 H HA 0.268 4.818 4.556 -0.010 0.000 0.328 441 H C -0.155 175.412 175.328 0.399 0.000 1.044 441 H CA -0.585 55.643 56.048 0.300 0.000 1.212 441 H CB 1.593 31.464 29.762 0.182 0.000 1.428 441 H HN 0.522 nan 8.280 nan 0.000 0.483 442 S N 3.312 119.242 115.700 0.384 0.000 2.562 442 S HA 0.220 4.684 4.470 -0.010 0.000 0.281 442 S C 0.054 174.647 174.600 -0.011 0.000 1.333 442 S CA -0.544 57.664 58.200 0.013 0.000 1.052 442 S CB 0.192 63.382 63.200 -0.017 0.000 0.884 442 S HN 0.461 nan 8.310 nan 0.000 0.506 443 L N 0.000 121.141 121.223 -0.136 0.000 2.949 443 L HA 0.000 4.334 4.340 -0.010 0.000 0.249 443 L CA 0.000 54.807 54.840 -0.054 0.000 0.813 443 L CB 0.000 42.043 42.059 -0.027 0.000 0.961 443 L HN 0.000 nan 8.230 nan 0.000 0.502