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 2f8x_1_C DATA FIRST_RESID 11 DATA SEQUENCE RPPPKRLTRE AMRNYLKERG DQTVLILHAK VAQKSYGNEK RFFCPPPCVY DATA SEQUENCE LMGSGWKKKK EQMERDGCSE QESQPCAFIG IGNSDQEMQQ LNLEGKNYCT DATA SEQUENCE AKTLYISDSD KRKHFMLSVK MFYGNSDDIG VFLSKRIKVI SKPSKKKQSL DATA SEQUENCE KNADLCIASG TKVALFNRLR SQTVSTRYLH VEGGNFHASS QQWGAFFIHL DATA SEQUENCE LDDDESEGEE FTVRDGYIHY GQTVKLVCSV TGMALPRLII RKVDKQTALL DATA SEQUENCE DADDPVSQLH KCAFYLKDTE RMYLCLSQER IIQFQATPCP KEPNKEMIND DATA SEQUENCE GASWTIISTD KAEYTFYEGM GPVLAPVTPV PVVESLQLNG GGDVAMLELT DATA SEQUENCE GQNFTPNLRV WFGDVEAETM YRCGESMLCV VPDISAFREG WRWVRQPVQV DATA SEQUENCE PVTLVRNDGI IYSTSLTFTY TPEP 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 11 R HA 0.000 nan 4.340 nan 0.000 0.208 11 R C 0.000 176.293 176.300 -0.012 0.000 0.893 11 R CA 0.000 56.093 56.100 -0.012 0.000 0.921 11 R CB 0.000 30.292 30.300 -0.013 0.000 0.687 12 P HA 0.247 nan 4.420 nan 0.000 0.261 12 P C -2.286 175.007 177.300 -0.011 0.000 1.203 12 P CA -0.660 62.434 63.100 -0.011 0.000 0.767 12 P CB 0.015 31.708 31.700 -0.013 0.000 0.785 13 P HA 0.091 nan 4.420 nan 0.000 0.267 13 P C -2.249 175.046 177.300 -0.008 0.000 1.200 13 P CA -0.745 62.350 63.100 -0.009 0.000 0.772 13 P CB -0.602 31.094 31.700 -0.006 0.000 0.855 14 P HA 0.015 nan 4.420 nan 0.000 0.261 14 P C -0.529 176.770 177.300 -0.001 0.000 1.173 14 P CA 0.647 63.742 63.100 -0.008 0.000 0.760 14 P CB 0.343 32.038 31.700 -0.007 0.000 0.783 15 K N 3.212 123.611 120.400 -0.001 0.000 2.274 15 K HA 0.339 4.659 4.320 0.000 0.000 0.262 15 K C 0.080 176.694 176.600 0.023 0.000 0.961 15 K CA -0.892 55.401 56.287 0.009 0.000 0.833 15 K CB 1.341 33.843 32.500 0.003 0.000 1.102 15 K HN 0.255 nan 8.250 nan 0.000 0.436 16 R N 2.651 123.176 120.500 0.042 0.000 2.449 16 R HA 0.074 4.414 4.340 0.000 0.000 0.296 16 R C -0.038 176.322 176.300 0.099 0.000 1.047 16 R CA -0.293 55.853 56.100 0.077 0.000 1.018 16 R CB 0.074 30.422 30.300 0.080 0.000 0.962 16 R HN 0.572 nan 8.270 nan 0.000 0.428 17 L N 3.224 124.520 121.223 0.121 0.000 2.559 17 L HA -0.038 4.302 4.340 0.000 0.000 0.282 17 L C 0.516 177.509 176.870 0.204 0.000 1.232 17 L CA 0.673 55.566 54.840 0.088 0.000 0.885 17 L CB 0.574 42.620 42.059 -0.023 0.000 1.131 17 L HN 0.746 nan 8.230 nan 0.000 0.498 18 T N 1.203 115.836 114.554 0.131 0.000 2.944 18 T HA 0.355 4.706 4.350 0.000 0.000 0.284 18 T C 1.033 175.874 174.700 0.235 0.000 1.010 18 T CA -0.651 61.562 62.100 0.188 0.000 1.025 18 T CB 1.556 70.486 68.868 0.103 0.000 1.079 18 T HN 0.701 nan 8.240 nan 0.000 0.516 19 R N 0.591 121.261 120.500 0.283 0.000 2.094 19 R HA -0.152 4.188 4.340 0.000 0.000 0.239 19 R C 2.357 178.753 176.300 0.160 0.000 1.137 19 R CA 2.356 58.634 56.100 0.297 0.000 0.943 19 R CB -0.755 29.656 30.300 0.185 0.000 0.850 19 R HN 0.941 nan 8.270 nan 0.000 0.433 20 E N -0.826 119.436 120.200 0.103 0.000 2.077 20 E HA -0.207 4.143 4.350 0.000 0.000 0.193 20 E C 1.747 178.376 176.600 0.048 0.000 0.989 20 E CA 1.277 57.716 56.400 0.065 0.000 0.800 20 E CB -0.198 29.532 29.700 0.050 0.000 0.746 20 E HN 0.462 nan 8.360 nan 0.000 0.452 21 A N 0.752 123.594 122.820 0.038 0.000 1.972 21 A HA -0.205 4.115 4.320 0.000 0.000 0.219 21 A C 2.075 179.658 177.584 -0.001 0.000 1.169 21 A CA 1.749 53.800 52.037 0.022 0.000 0.635 21 A CB -0.517 18.485 19.000 0.002 0.000 0.810 21 A HN 0.405 nan 8.150 nan 0.000 0.446 22 M N 0.018 119.572 119.600 -0.076 0.000 2.132 22 M HA -0.056 4.424 4.480 0.000 0.000 0.263 22 M C 1.989 178.295 176.300 0.010 0.000 1.065 22 M CA 1.466 56.681 55.300 -0.141 0.000 1.122 22 M CB -0.547 31.830 32.600 -0.372 0.000 1.365 22 M HN 0.381 nan 8.290 nan 0.000 0.411 23 R N -0.155 120.367 120.500 0.037 0.000 2.081 23 R HA -0.123 4.217 4.340 0.000 0.000 0.235 23 R C 2.060 178.369 176.300 0.015 0.000 1.131 23 R CA 1.905 58.029 56.100 0.040 0.000 0.960 23 R CB -0.911 29.417 30.300 0.047 0.000 0.856 23 R HN 0.633 nan 8.270 nan 0.000 0.436 24 N N -0.093 118.625 118.700 0.031 0.000 2.120 24 N HA -0.230 4.510 4.740 0.000 0.000 0.188 24 N C 1.783 177.293 175.510 -0.000 0.000 1.024 24 N CA 1.177 54.242 53.050 0.025 0.000 0.852 24 N CB -0.223 38.301 38.487 0.061 0.000 1.003 24 N HN 0.194 nan 8.380 nan 0.000 0.424 25 Y N 1.729 121.968 120.300 -0.102 0.000 2.181 25 Y HA -0.130 4.420 4.550 0.000 0.000 0.288 25 Y C 1.942 177.711 175.900 -0.219 0.000 1.146 25 Y CA 1.051 59.014 58.100 -0.229 0.000 1.164 25 Y CB -0.347 37.947 38.460 -0.276 0.000 0.982 25 Y HN -0.044 nan 8.280 nan 0.000 0.515 26 L N 1.002 122.047 121.223 -0.296 0.000 2.131 26 L HA -0.184 4.156 4.340 0.000 0.000 0.210 26 L C 2.506 179.200 176.870 -0.295 0.000 1.092 26 L CA 1.772 56.414 54.840 -0.330 0.000 0.759 26 L CB -1.231 40.771 42.059 -0.096 0.000 0.903 26 L HN 0.263 nan 8.230 nan 0.000 0.435 27 K N -0.767 119.513 120.400 -0.199 0.000 1.980 27 K HA -0.125 4.195 4.320 0.000 0.000 0.208 27 K C 1.904 178.395 176.600 -0.182 0.000 1.043 27 K CA 1.065 57.265 56.287 -0.145 0.000 0.938 27 K CB 0.161 32.614 32.500 -0.080 0.000 0.724 27 K HN 0.168 nan 8.250 nan 0.000 0.438 28 E N 0.458 120.541 120.200 -0.194 0.000 2.004 28 E HA -0.132 4.218 4.350 0.000 0.000 0.193 28 E C 0.244 176.665 176.600 -0.298 0.000 0.985 28 E CA 0.707 56.999 56.400 -0.179 0.000 0.832 28 E CB -0.136 29.504 29.700 -0.099 0.000 0.787 28 E HN 0.283 nan 8.360 nan 0.000 0.466 29 R N -0.324 119.876 120.500 -0.500 0.000 3.056 29 R HA -0.106 4.234 4.340 0.000 0.000 0.264 29 R C -0.204 175.896 176.300 -0.334 0.000 1.005 29 R CA 0.406 56.083 56.100 -0.705 0.000 0.665 29 R CB -1.725 28.189 30.300 -0.644 0.000 1.296 29 R HN 0.324 nan 8.270 nan 0.000 0.404 30 G N 1.627 110.291 108.800 -0.228 0.000 4.126 30 G HA2 0.138 4.099 3.960 0.000 0.000 0.282 30 G HA3 0.138 4.099 3.960 0.000 0.000 0.282 30 G C -0.050 174.905 174.900 0.092 0.000 1.221 30 G CA -0.425 44.671 45.100 -0.008 0.000 1.527 30 G HN 0.411 nan 8.290 nan 0.000 0.612 31 D N 0.707 121.109 120.400 0.003 0.000 2.419 31 D HA 0.034 4.674 4.640 0.000 0.000 0.236 31 D C 0.376 176.541 176.300 -0.225 0.000 1.165 31 D CA 0.940 54.935 54.000 -0.008 0.000 0.882 31 D CB 1.276 42.057 40.800 -0.032 0.000 1.201 31 D HN 0.304 nan 8.370 nan 0.000 0.443 32 Q N 0.178 119.631 119.800 -0.579 0.000 2.282 32 Q HA 0.438 4.778 4.340 0.000 0.000 0.260 32 Q C -0.250 175.097 176.000 -1.088 0.000 0.964 32 Q CA -0.584 54.536 55.803 -1.139 0.000 0.880 32 Q CB 2.184 29.845 28.738 -1.796 0.000 1.286 32 Q HN 0.380 nan 8.270 nan 0.000 0.445 33 T N 0.178 114.374 114.554 -0.596 0.000 2.991 33 T HA 0.506 4.856 4.350 0.000 0.000 0.303 33 T C -0.423 174.351 174.700 0.123 0.000 1.015 33 T CA -0.485 61.496 62.100 -0.197 0.000 1.007 33 T CB 1.038 69.881 68.868 -0.043 0.000 1.034 33 T HN 0.280 nan 8.240 nan 0.000 0.446 34 V N 4.784 124.746 119.914 0.080 0.000 3.610 34 V HA 0.775 4.895 4.120 0.000 0.000 0.285 34 V C 0.163 176.327 176.094 0.116 0.000 1.012 34 V CA -0.827 61.482 62.300 0.015 0.000 0.975 34 V CB 1.432 32.872 31.823 -0.637 0.000 1.247 34 V HN 1.008 nan 8.190 nan 0.000 0.424 35 L N 0.896 122.192 121.223 0.123 0.000 3.349 35 L HA 0.427 4.767 4.340 0.000 0.000 0.265 35 L C -2.003 174.978 176.870 0.186 0.000 0.964 35 L CA -0.183 54.760 54.840 0.172 0.000 1.103 35 L CB 1.112 43.245 42.059 0.124 0.000 1.838 35 L HN 0.546 nan 8.230 nan 0.000 0.527 36 I N 5.800 126.496 120.570 0.210 0.000 2.439 36 I HA 0.411 4.581 4.170 0.000 0.000 0.285 36 I C -0.672 175.610 176.117 0.275 0.000 1.021 36 I CA -0.558 60.872 61.300 0.217 0.000 1.091 36 I CB 1.725 39.848 38.000 0.205 0.000 1.242 36 I HN 0.380 nan 8.210 nan 0.000 0.439 37 L N 6.775 128.149 121.223 0.251 0.000 2.307 37 L HA 0.653 4.993 4.340 0.000 0.000 0.282 37 L C -0.233 176.958 176.870 0.535 0.000 1.051 37 L CA -0.573 54.431 54.840 0.273 0.000 0.804 37 L CB 1.127 43.173 42.059 -0.022 0.000 1.197 37 L HN 0.662 nan 8.230 nan 0.000 0.431 38 H N 1.162 120.443 119.070 0.352 0.000 2.917 38 H HA 0.588 5.144 4.556 0.000 0.000 0.299 38 H C -1.380 174.047 175.328 0.165 0.000 1.418 38 H CA -0.982 55.267 56.048 0.335 0.000 1.138 38 H CB 1.110 31.009 29.762 0.228 0.000 1.830 38 H HN 0.620 nan 8.280 nan 0.000 0.514 39 A N 0.693 123.552 122.820 0.066 0.000 2.304 39 A HA 0.326 4.646 4.320 0.000 0.000 0.271 39 A C 0.829 178.344 177.584 -0.116 0.000 1.091 39 A CA -0.468 51.515 52.037 -0.090 0.000 0.812 39 A CB 0.529 19.485 19.000 -0.074 0.000 1.056 39 A HN 0.678 nan 8.150 nan 0.000 0.489 40 K N 0.064 120.380 120.400 -0.140 0.000 2.379 40 K HA 0.213 4.533 4.320 0.000 0.000 0.194 40 K C -0.266 176.260 176.600 -0.123 0.000 1.031 40 K CA 0.375 56.583 56.287 -0.131 0.000 1.037 40 K CB 0.251 32.678 32.500 -0.122 0.000 0.824 40 K HN 0.486 nan 8.250 nan 0.000 0.516 41 V N 0.422 120.269 119.914 -0.112 0.000 3.046 41 V HA 0.709 4.829 4.120 0.000 0.000 0.316 41 V C -0.954 175.061 176.094 -0.131 0.000 1.104 41 V CA -1.167 61.065 62.300 -0.113 0.000 1.006 41 V CB 1.829 33.612 31.823 -0.067 0.000 1.058 41 V HN 0.096 nan 8.190 nan 0.000 0.440 42 A N 1.276 124.031 122.820 -0.109 0.000 2.491 42 A HA 0.559 4.879 4.320 0.000 0.000 0.293 42 A C -0.961 176.643 177.584 0.034 0.000 1.047 42 A CA -0.516 51.453 52.037 -0.113 0.000 0.735 42 A CB 1.718 20.528 19.000 -0.318 0.000 1.281 42 A HN 0.603 nan 8.150 nan 0.000 0.398 43 Q N 2.300 122.168 119.800 0.113 0.000 2.286 43 Q HA 0.111 4.451 4.340 0.000 0.000 0.265 43 Q C 0.044 176.147 176.000 0.172 0.000 1.080 43 Q CA 0.126 56.017 55.803 0.146 0.000 0.906 43 Q CB 0.662 29.501 28.738 0.169 0.000 1.227 43 Q HN 0.774 nan 8.270 nan 0.000 0.409 44 K N 1.200 121.662 120.400 0.103 0.000 2.382 44 K HA 0.228 4.548 4.320 0.000 0.000 0.275 44 K C -0.582 176.008 176.600 -0.017 0.000 1.009 44 K CA -0.158 56.140 56.287 0.018 0.000 0.970 44 K CB 0.580 33.001 32.500 -0.133 0.000 0.934 44 K HN 0.192 nan 8.250 nan 0.000 0.479 45 S N 2.142 117.849 115.700 0.011 0.000 2.462 45 S HA 0.282 4.752 4.470 0.000 0.000 0.294 45 S C -0.879 173.684 174.600 -0.063 0.000 1.144 45 S CA -0.738 57.504 58.200 0.070 0.000 1.088 45 S CB 0.183 63.507 63.200 0.205 0.000 1.009 45 S HN 0.457 nan 8.310 nan 0.000 0.484 46 Y N 1.248 121.597 120.300 0.083 0.000 2.496 46 Y HA 0.586 5.136 4.550 0.000 0.000 0.325 46 Y C 1.698 177.628 175.900 0.050 0.000 1.271 46 Y CA 0.505 58.644 58.100 0.065 0.000 1.368 46 Y CB 0.005 38.494 38.460 0.048 0.000 1.415 46 Y HN 0.900 nan 8.280 nan 0.000 0.527 47 G N 1.092 110.037 108.800 0.242 0.000 2.702 47 G HA2 -0.454 3.506 3.960 0.000 0.000 0.342 47 G HA3 -0.454 3.506 3.960 0.000 0.000 0.342 47 G C 0.433 175.390 174.900 0.095 0.000 1.258 47 G CA 1.470 46.651 45.100 0.135 0.000 0.990 47 G HN 0.733 nan 8.290 nan 0.000 0.548 48 N N 1.632 120.370 118.700 0.063 0.000 2.291 48 N HA 0.335 5.075 4.740 0.000 0.000 0.244 48 N C 0.618 176.122 175.510 -0.011 0.000 1.216 48 N CA 0.398 53.469 53.050 0.035 0.000 0.879 48 N CB 0.752 39.252 38.487 0.022 0.000 1.167 48 N HN 0.706 nan 8.380 nan 0.000 0.515 49 E N 1.078 121.281 120.200 0.004 0.000 3.368 49 E HA 0.143 4.493 4.350 0.000 0.000 0.320 49 E C -0.159 176.339 176.600 -0.170 0.000 1.507 49 E CA 0.323 56.695 56.400 -0.047 0.000 1.600 49 E CB 0.421 30.135 29.700 0.022 0.000 1.117 49 E HN -0.084 nan 8.360 nan 0.000 0.726 50 K N 0.177 120.448 120.400 -0.214 0.000 2.556 50 K HA 0.095 4.415 4.320 0.000 0.000 0.322 50 K C -1.490 174.929 176.600 -0.302 0.000 1.420 50 K CA -0.117 55.938 56.287 -0.387 0.000 1.044 50 K CB 0.568 32.771 32.500 -0.496 0.000 1.427 50 K HN 0.244 nan 8.250 nan 0.000 0.509 51 R N 3.339 123.822 120.500 -0.029 0.000 2.391 51 R HA 0.254 4.594 4.340 0.000 0.000 0.310 51 R C -0.062 176.393 176.300 0.259 0.000 1.174 51 R CA -0.405 55.700 56.100 0.008 0.000 1.118 51 R CB 0.091 30.453 30.300 0.103 0.000 1.134 51 R HN 0.287 nan 8.270 nan 0.000 0.524 52 F N 2.304 122.304 119.950 0.085 0.000 2.629 52 F HA -0.035 4.492 4.527 0.000 0.000 0.369 52 F C 1.045 176.986 175.800 0.234 0.000 1.125 52 F CA -0.275 57.777 58.000 0.087 0.000 1.330 52 F CB 0.332 39.343 39.000 0.018 0.000 1.071 52 F HN 0.302 nan 8.300 nan 0.000 0.595 53 F N 2.554 122.670 119.950 0.276 0.000 2.557 53 F HA 0.112 4.639 4.527 0.000 0.000 0.384 53 F C 0.612 176.460 175.800 0.079 0.000 1.057 53 F CA -0.526 57.572 58.000 0.164 0.000 1.169 53 F CB 0.289 39.381 39.000 0.153 0.000 1.070 53 F HN 0.335 nan 8.300 nan 0.000 0.554 54 C N 7.375 126.788 119.300 0.188 0.000 2.396 54 C HA 0.517 4.977 4.460 0.000 0.000 0.321 54 C C -2.166 172.756 174.990 -0.113 0.000 1.233 54 C CA -2.189 56.786 59.018 -0.071 0.000 1.440 54 C CB 0.827 28.397 27.740 -0.282 0.000 2.110 54 C HN 0.532 nan 8.230 nan 0.000 0.473 55 P HA 0.253 nan 4.420 nan 0.000 0.271 55 P C -2.730 174.414 177.300 -0.261 0.000 1.233 55 P CA -0.755 61.855 63.100 -0.817 0.000 0.789 55 P CB 0.178 30.553 31.700 -2.207 0.000 0.951 56 P HA 0.240 nan 4.420 nan 0.000 0.287 56 P C -2.610 174.949 177.300 0.431 0.000 1.281 56 P CA -2.160 61.068 63.100 0.214 0.000 0.781 56 P CB -0.088 31.702 31.700 0.149 0.000 0.903 57 P HA -0.055 nan 4.420 nan 0.000 0.256 57 P C 0.501 177.919 177.300 0.197 0.000 1.189 57 P CA 0.347 63.655 63.100 0.347 0.000 0.808 57 P CB -0.304 31.559 31.700 0.271 0.000 0.793 58 C N 4.405 123.784 119.300 0.131 0.000 2.520 58 C HA 0.412 4.872 4.460 0.000 0.000 0.376 58 C C 0.233 175.213 174.990 -0.017 0.000 1.268 58 C CA -0.077 58.889 59.018 -0.088 0.000 2.414 58 C CB 0.164 27.689 27.740 -0.358 0.000 2.521 58 C HN 0.349 nan 8.230 nan 0.000 0.618 59 V N 5.355 125.208 119.914 -0.102 0.000 2.465 59 V HA 0.262 4.383 4.120 0.000 0.000 0.263 59 V C -1.017 175.054 176.094 -0.039 0.000 0.981 59 V CA -0.380 61.911 62.300 -0.015 0.000 0.838 59 V CB -0.316 31.481 31.823 -0.042 0.000 1.068 59 V HN 0.818 nan 8.190 nan 0.000 0.458 60 Y N 3.172 123.457 120.300 -0.025 0.000 2.314 60 Y HA 0.464 5.014 4.550 0.000 0.000 0.334 60 Y C 0.685 176.566 175.900 -0.032 0.000 1.266 60 Y CA -0.883 57.212 58.100 -0.008 0.000 1.391 60 Y CB 0.763 39.211 38.460 -0.022 0.000 1.306 60 Y HN 0.313 nan 8.280 nan 0.000 0.558 61 L N 4.523 125.790 121.223 0.073 0.000 2.502 61 L HA 0.267 4.607 4.340 0.000 0.000 0.247 61 L C -0.797 176.163 176.870 0.149 0.000 1.180 61 L CA -0.391 54.436 54.840 -0.022 0.000 0.956 61 L CB -0.059 41.552 42.059 -0.746 0.000 1.282 61 L HN 0.608 nan 8.230 nan 0.000 0.470 62 M N 0.870 120.643 119.600 0.288 0.000 2.159 62 M HA 0.602 5.082 4.480 0.000 0.000 0.293 62 M C 0.874 177.370 176.300 0.325 0.000 1.186 62 M CA -0.152 55.288 55.300 0.234 0.000 1.073 62 M CB 0.631 33.300 32.600 0.115 0.000 1.419 62 M HN 0.493 nan 8.290 nan 0.000 0.490 63 G N 0.375 109.289 108.800 0.191 0.000 3.225 63 G HA2 -0.055 3.905 3.960 0.000 0.000 0.686 63 G HA3 -0.055 3.905 3.960 0.000 0.000 0.686 63 G C 0.319 175.307 174.900 0.146 0.000 1.105 63 G CA 0.005 45.176 45.100 0.118 0.000 0.831 63 G HN 0.971 nan 8.290 nan 0.000 0.578 64 S N 0.916 116.660 115.700 0.074 0.000 2.442 64 S HA 0.021 4.491 4.470 0.000 0.000 0.236 64 S C 2.576 177.231 174.600 0.092 0.000 1.007 64 S CA 1.875 60.122 58.200 0.077 0.000 0.965 64 S CB -0.185 63.037 63.200 0.037 0.000 0.773 64 S HN 2.152 nan 8.310 nan 0.000 0.504 65 G N 0.317 109.146 108.800 0.049 0.000 2.432 65 G HA2 -0.171 3.789 3.960 0.000 0.000 0.219 65 G HA3 -0.171 3.789 3.960 0.000 0.000 0.219 65 G C 1.062 175.992 174.900 0.050 0.000 1.135 65 G CA 0.579 45.694 45.100 0.025 0.000 0.767 65 G HN 0.671 nan 8.290 nan 0.000 0.550 66 W N 0.628 121.937 121.300 0.015 0.000 2.363 66 W HA 0.011 4.671 4.660 0.000 0.000 0.296 66 W C 2.731 179.269 176.519 0.032 0.000 1.212 66 W CA 1.203 58.570 57.345 0.036 0.000 1.260 66 W CB 0.162 29.637 29.460 0.026 0.000 1.131 66 W HN 0.146 nan 8.180 nan 0.000 0.530 67 K N 1.018 121.580 120.400 0.269 0.000 2.062 67 K HA -0.165 4.156 4.320 0.000 0.000 0.205 67 K C 1.864 178.523 176.600 0.099 0.000 1.051 67 K CA 1.279 57.654 56.287 0.147 0.000 0.941 67 K CB -0.212 32.350 32.500 0.104 0.000 0.719 67 K HN 0.013 nan 8.250 nan 0.000 0.440 68 K N 0.577 121.031 120.400 0.090 0.000 2.097 68 K HA -0.129 4.191 4.320 0.000 0.000 0.206 68 K C 2.196 178.814 176.600 0.031 0.000 1.049 68 K CA 0.965 57.286 56.287 0.057 0.000 0.933 68 K CB 0.010 32.552 32.500 0.071 0.000 0.717 68 K HN 0.028 nan 8.250 nan 0.000 0.442 69 K N 1.720 122.147 120.400 0.044 0.000 2.103 69 K HA -0.155 4.165 4.320 0.000 0.000 0.204 69 K C 1.991 178.573 176.600 -0.029 0.000 1.052 69 K CA 1.299 57.586 56.287 -0.001 0.000 0.945 69 K CB 0.070 32.601 32.500 0.052 0.000 0.722 69 K HN -0.030 nan 8.250 nan 0.000 0.443 70 K N 1.466 121.887 120.400 0.034 0.000 2.057 70 K HA -0.122 4.198 4.320 0.000 0.000 0.206 70 K C 1.683 178.272 176.600 -0.018 0.000 1.050 70 K CA 1.755 58.044 56.287 0.003 0.000 0.935 70 K CB -0.011 32.516 32.500 0.045 0.000 0.715 70 K HN 0.152 nan 8.250 nan 0.000 0.439 71 E N 0.238 120.438 120.200 -0.001 0.000 2.072 71 E HA -0.214 4.136 4.350 0.000 0.000 0.191 71 E C 2.130 178.717 176.600 -0.022 0.000 0.985 71 E CA 1.033 57.429 56.400 -0.007 0.000 0.801 71 E CB -0.139 29.564 29.700 0.005 0.000 0.750 71 E HN 0.378 nan 8.360 nan 0.000 0.452 72 Q N 0.925 120.707 119.800 -0.030 0.000 2.084 72 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 72 Q C 2.088 178.054 176.000 -0.058 0.000 0.978 72 Q CA 1.486 57.263 55.803 -0.042 0.000 0.844 72 Q CB -0.090 28.616 28.738 -0.053 0.000 0.898 72 Q HN 0.357 nan 8.270 nan 0.000 0.426 73 M N 0.163 119.713 119.600 -0.085 0.000 2.117 73 M HA -0.167 4.314 4.480 0.000 0.000 0.262 73 M C 1.996 178.259 176.300 -0.061 0.000 1.065 73 M CA 1.659 56.900 55.300 -0.098 0.000 1.114 73 M CB -0.239 32.261 32.600 -0.166 0.000 1.361 73 M HN 0.216 nan 8.290 nan 0.000 0.408 74 E N 0.126 120.297 120.200 -0.047 0.000 2.051 74 E HA -0.161 4.189 4.350 0.000 0.000 0.192 74 E C 1.597 178.183 176.600 -0.024 0.000 0.991 74 E CA 0.836 57.218 56.400 -0.029 0.000 0.799 74 E CB -0.244 29.443 29.700 -0.021 0.000 0.748 74 E HN 0.451 nan 8.360 nan 0.000 0.449 75 R N 0.966 121.452 120.500 -0.023 0.000 2.416 75 R HA -0.073 4.267 4.340 0.000 0.000 0.207 75 R C 0.173 176.461 176.300 -0.020 0.000 1.220 75 R CA 0.424 56.514 56.100 -0.018 0.000 1.194 75 R CB 0.014 30.304 30.300 -0.016 0.000 0.892 75 R HN 0.141 nan 8.270 nan 0.000 0.481 76 D N -1.008 119.378 120.400 -0.024 0.000 2.602 76 D HA 0.093 4.733 4.640 0.000 0.000 0.265 76 D C 0.066 176.354 176.300 -0.020 0.000 1.454 76 D CA 0.287 54.273 54.000 -0.023 0.000 0.795 76 D CB 1.303 42.085 40.800 -0.030 0.000 1.140 76 D HN 0.281 nan 8.370 nan 0.000 0.486 77 G N 1.482 110.271 108.800 -0.017 0.000 2.452 77 G HA2 -0.212 3.748 3.960 0.000 0.000 0.275 77 G HA3 -0.212 3.748 3.960 0.000 0.000 0.275 77 G C 0.016 174.908 174.900 -0.013 0.000 1.131 77 G CA -0.170 44.922 45.100 -0.013 0.000 1.031 77 G HN 0.323 nan 8.290 nan 0.000 0.511 78 C N 0.778 120.069 119.300 -0.015 0.000 2.441 78 C HA 0.767 5.227 4.460 0.000 0.000 0.318 78 C C 1.170 176.156 174.990 -0.007 0.000 1.222 78 C CA -0.297 58.714 59.018 -0.013 0.000 1.474 78 C CB 1.354 29.079 27.740 -0.025 0.000 2.125 78 C HN 0.789 nan 8.230 nan 0.000 0.479 79 S N 1.214 116.915 115.700 0.001 0.000 2.580 79 S HA -0.018 4.452 4.470 0.000 0.000 0.261 79 S C 1.186 175.789 174.600 0.004 0.000 1.366 79 S CA -0.127 58.075 58.200 0.004 0.000 0.996 79 S CB 0.467 63.673 63.200 0.010 0.000 0.902 79 S HN 0.895 nan 8.310 nan 0.000 0.566 80 E N 0.669 120.870 120.200 0.002 0.000 2.150 80 E HA -0.174 4.176 4.350 0.000 0.000 0.193 80 E C 1.974 178.581 176.600 0.010 0.000 0.985 80 E CA 1.228 57.628 56.400 0.001 0.000 0.814 80 E CB -0.036 29.661 29.700 -0.004 0.000 0.752 80 E HN 0.663 nan 8.360 nan 0.000 0.466 81 Q N -0.285 119.525 119.800 0.016 0.000 2.378 81 Q HA -0.085 4.255 4.340 0.000 0.000 0.205 81 Q C 1.325 177.356 176.000 0.053 0.000 0.954 81 Q CA 0.797 56.618 55.803 0.030 0.000 0.901 81 Q CB 0.219 28.972 28.738 0.025 0.000 0.981 81 Q HN 0.340 nan 8.270 nan 0.000 0.483 82 E N -0.251 119.975 120.200 0.044 0.000 2.318 82 E HA -0.027 4.323 4.350 0.000 0.000 0.193 82 E C 0.735 177.377 176.600 0.068 0.000 0.998 82 E CA 0.737 57.171 56.400 0.058 0.000 0.859 82 E CB 0.521 30.240 29.700 0.031 0.000 0.812 82 E HN 0.216 nan 8.360 nan 0.000 0.492 83 S N 0.733 116.456 115.700 0.038 0.000 2.481 83 S HA 0.184 4.654 4.470 0.000 0.000 0.243 83 S C -0.065 174.586 174.600 0.085 0.000 1.152 83 S CA -0.593 57.612 58.200 0.008 0.000 1.168 83 S CB 0.364 63.533 63.200 -0.052 0.000 0.835 83 S HN -0.077 nan 8.310 nan 0.000 0.474 84 Q N 2.165 122.053 119.800 0.146 0.000 2.368 84 Q HA 0.515 4.855 4.340 0.000 0.000 0.263 84 Q C -3.068 173.041 176.000 0.183 0.000 1.009 84 Q CA -2.235 53.640 55.803 0.121 0.000 0.818 84 Q CB 1.274 30.042 28.738 0.050 0.000 1.239 84 Q HN 0.155 nan 8.270 nan 0.000 0.464 85 P HA -0.048 nan 4.420 nan 0.000 0.260 85 P C -0.672 176.570 177.300 -0.096 0.000 1.172 85 P CA 0.192 63.328 63.100 0.059 0.000 0.760 85 P CB 0.469 32.074 31.700 -0.160 0.000 0.773 86 C N 3.055 122.244 119.300 -0.184 0.000 2.547 86 C HA 0.953 5.413 4.460 0.000 0.000 0.411 86 C C 0.306 175.051 174.990 -0.409 0.000 1.424 86 C CA -0.014 58.820 59.018 -0.308 0.000 1.848 86 C CB 1.007 28.523 27.740 -0.373 0.000 2.062 86 C HN 0.669 nan 8.230 nan 0.000 0.504 87 A N 0.383 123.007 122.820 -0.326 0.000 2.590 87 A HA 0.647 4.967 4.320 0.000 0.000 0.309 87 A C -1.610 175.938 177.584 -0.060 0.000 1.039 87 A CA -0.366 51.583 52.037 -0.146 0.000 0.824 87 A CB 0.085 18.979 19.000 -0.178 0.000 1.247 87 A HN 0.513 nan 8.150 nan 0.000 0.394 88 F N 1.059 120.912 119.950 -0.162 0.000 2.577 88 F HA 0.784 5.311 4.527 0.000 0.000 0.318 88 F C 0.183 175.949 175.800 -0.057 0.000 1.065 88 F CA -1.166 56.780 58.000 -0.089 0.000 0.929 88 F CB 1.995 40.968 39.000 -0.044 0.000 1.237 88 F HN 0.589 nan 8.300 nan 0.000 0.468 89 I N 0.585 121.214 120.570 0.098 0.000 2.603 89 I HA 0.841 5.011 4.170 0.000 0.000 0.300 89 I C -0.162 175.977 176.117 0.036 0.000 1.017 89 I CA -0.160 61.171 61.300 0.052 0.000 1.098 89 I CB 1.860 39.862 38.000 0.002 0.000 1.279 89 I HN 0.714 nan 8.210 nan 0.000 0.437 90 G N 6.124 114.941 108.800 0.029 0.000 2.663 90 G HA2 0.448 4.408 3.960 0.000 0.000 0.299 90 G HA3 0.448 4.408 3.960 0.000 0.000 0.299 90 G C -1.596 173.293 174.900 -0.017 0.000 1.372 90 G CA -0.463 44.627 45.100 -0.015 0.000 0.781 90 G HN 0.268 nan 8.290 nan 0.000 0.491 91 I N 2.576 123.097 120.570 -0.081 0.000 2.313 91 I HA 0.347 4.517 4.170 0.000 0.000 0.286 91 I C 1.599 177.695 176.117 -0.035 0.000 1.091 91 I CA 0.213 61.442 61.300 -0.118 0.000 1.216 91 I CB -0.395 37.419 38.000 -0.310 0.000 1.434 91 I HN 1.052 nan 8.210 nan 0.000 0.487 92 G N 7.109 115.949 108.800 0.065 0.000 2.627 92 G HA2 -0.358 3.602 3.960 0.000 0.000 0.400 92 G HA3 -0.358 3.602 3.960 0.000 0.000 0.400 92 G C 0.534 175.452 174.900 0.030 0.000 1.334 92 G CA 0.216 45.363 45.100 0.079 0.000 0.960 92 G HN 0.689 nan 8.290 nan 0.000 0.533 93 N N 1.074 119.795 118.700 0.035 0.000 3.124 93 N HA 0.400 5.140 4.740 0.000 0.000 0.284 93 N C -0.621 174.887 175.510 -0.004 0.000 1.209 93 N CA 0.056 53.114 53.050 0.013 0.000 1.149 93 N CB 0.479 38.978 38.487 0.021 0.000 1.434 93 N HN 0.358 nan 8.380 nan 0.000 0.529 94 S N 0.443 116.126 115.700 -0.029 0.000 2.482 94 S HA 0.159 4.629 4.470 0.000 0.000 0.303 94 S C -0.441 174.130 174.600 -0.048 0.000 1.091 94 S CA -0.860 57.309 58.200 -0.050 0.000 1.057 94 S CB 0.990 64.130 63.200 -0.100 0.000 1.031 94 S HN 0.271 nan 8.310 nan 0.000 0.485 95 D N 4.034 124.411 120.400 -0.038 0.000 2.767 95 D HA 0.171 4.811 4.640 0.000 0.000 0.231 95 D C 0.470 176.748 176.300 -0.037 0.000 1.105 95 D CA 0.301 54.282 54.000 -0.031 0.000 1.024 95 D CB 0.361 41.150 40.800 -0.019 0.000 1.123 95 D HN 0.450 nan 8.370 nan 0.000 0.470 96 Q N 0.144 119.913 119.800 -0.053 0.000 3.134 96 Q HA 0.384 4.724 4.340 0.000 0.000 0.212 96 Q C -0.072 175.905 176.000 -0.039 0.000 1.140 96 Q CA -0.388 55.380 55.803 -0.057 0.000 0.488 96 Q CB 0.997 29.666 28.738 -0.115 0.000 4.910 96 Q HN 0.108 nan 8.270 nan 0.000 0.305 97 E N 0.767 120.942 120.200 -0.042 0.000 2.275 97 E HA 0.391 4.741 4.350 0.000 0.000 0.270 97 E C -0.707 175.891 176.600 -0.003 0.000 0.882 97 E CA -0.323 56.072 56.400 -0.010 0.000 0.758 97 E CB 1.942 31.649 29.700 0.010 0.000 1.195 97 E HN 0.410 nan 8.360 nan 0.000 0.419 98 M N 2.089 121.715 119.600 0.043 0.000 2.228 98 M HA 0.110 4.590 4.480 0.000 0.000 0.351 98 M C 0.423 176.815 176.300 0.154 0.000 1.233 98 M CA 0.327 55.682 55.300 0.093 0.000 1.129 98 M CB 0.467 33.156 32.600 0.149 0.000 1.604 98 M HN 0.161 nan 8.290 nan 0.000 0.457 99 Q N 1.896 121.726 119.800 0.051 0.000 2.230 99 Q HA 0.292 4.632 4.340 0.000 0.000 0.248 99 Q C -0.641 175.265 176.000 -0.157 0.000 0.915 99 Q CA -0.503 55.277 55.803 -0.038 0.000 0.900 99 Q CB 1.661 30.332 28.738 -0.112 0.000 1.229 99 Q HN 0.542 nan 8.270 nan 0.000 0.439 100 Q N 1.829 121.401 119.800 -0.381 0.000 2.230 100 Q HA 0.429 4.769 4.340 0.000 0.000 0.248 100 Q C -1.361 174.348 176.000 -0.484 0.000 0.915 100 Q CA -0.433 54.874 55.803 -0.827 0.000 0.900 100 Q CB 0.807 28.902 28.738 -1.072 0.000 1.229 100 Q HN 0.549 nan 8.270 nan 0.000 0.439 101 L N 3.155 124.094 121.223 -0.473 0.000 2.307 101 L HA 0.392 4.732 4.340 0.000 0.000 0.284 101 L C 0.005 176.691 176.870 -0.305 0.000 1.023 101 L CA -0.843 53.814 54.840 -0.305 0.000 0.810 101 L CB 1.442 43.358 42.059 -0.239 0.000 1.231 101 L HN 0.624 nan 8.230 nan 0.000 0.423 102 N N 4.025 122.577 118.700 -0.247 0.000 2.406 102 N HA 0.199 4.939 4.740 0.000 0.000 0.251 102 N C -0.062 175.306 175.510 -0.237 0.000 1.069 102 N CA -0.093 52.824 53.050 -0.223 0.000 0.947 102 N CB 1.122 39.501 38.487 -0.181 0.000 1.111 102 N HN 0.665 nan 8.380 nan 0.000 0.497 103 L N 2.287 123.367 121.223 -0.239 0.000 2.769 103 L HA 0.236 4.576 4.340 0.000 0.000 0.240 103 L C 0.369 177.097 176.870 -0.237 0.000 1.163 103 L CA -0.101 54.577 54.840 -0.270 0.000 0.962 103 L CB 0.115 42.004 42.059 -0.284 0.000 1.258 103 L HN 0.407 nan 8.230 nan 0.000 0.513 104 E N 0.572 120.659 120.200 -0.189 0.000 2.493 104 E HA 0.082 4.432 4.350 0.000 0.000 0.255 104 E C 1.227 177.729 176.600 -0.164 0.000 0.999 104 E CA 0.732 57.043 56.400 -0.148 0.000 0.934 104 E CB 0.631 30.262 29.700 -0.114 0.000 0.940 104 E HN 0.397 nan 8.360 nan 0.000 0.473 105 G N 4.216 112.929 108.800 -0.145 0.000 2.623 105 G HA2 -0.390 3.571 3.960 0.000 0.000 0.241 105 G HA3 -0.390 3.571 3.960 0.000 0.000 0.241 105 G C 0.349 175.135 174.900 -0.191 0.000 1.114 105 G CA 0.715 45.731 45.100 -0.140 0.000 0.682 105 G HN 0.490 nan 8.290 nan 0.000 0.524 106 K N 0.342 120.579 120.400 -0.271 0.000 2.258 106 K HA 0.346 4.666 4.320 0.000 0.000 0.264 106 K C 0.789 177.145 176.600 -0.405 0.000 1.007 106 K CA -0.012 56.025 56.287 -0.416 0.000 0.941 106 K CB 0.519 32.657 32.500 -0.602 0.000 0.966 106 K HN 0.145 nan 8.250 nan 0.000 0.480 107 N N 0.412 118.861 118.700 -0.417 0.000 2.299 107 N HA 0.036 4.776 4.740 0.000 0.000 0.187 107 N C -1.014 174.359 175.510 -0.228 0.000 1.099 107 N CA 0.275 53.177 53.050 -0.246 0.000 0.867 107 N CB 0.319 38.780 38.487 -0.044 0.000 0.974 107 N HN 0.512 nan 8.380 nan 0.000 0.477 108 Y N -3.650 116.465 120.300 -0.309 0.000 2.840 108 Y HA 0.668 5.218 4.550 0.000 0.000 0.324 108 Y C -1.120 174.542 175.900 -0.398 0.000 1.378 108 Y CA -1.783 56.039 58.100 -0.464 0.000 1.077 108 Y CB 0.919 38.828 38.460 -0.918 0.000 1.361 108 Y HN -0.171 nan 8.280 nan 0.000 0.459 109 C N 1.834 121.072 119.300 -0.103 0.000 3.259 109 C HA 0.558 5.018 4.460 0.000 0.000 0.431 109 C C -0.597 174.346 174.990 -0.078 0.000 0.967 109 C CA 0.271 59.221 59.018 -0.114 0.000 1.175 109 C CB 0.411 28.017 27.740 -0.223 0.000 1.566 109 C HN 1.235 nan 8.230 nan 0.000 0.615 110 T N 2.324 116.852 114.554 -0.043 0.000 2.899 110 T HA 0.692 5.042 4.350 0.000 0.000 0.284 110 T C 0.266 174.945 174.700 -0.035 0.000 1.004 110 T CA 0.072 62.152 62.100 -0.033 0.000 1.043 110 T CB 1.645 70.510 68.868 -0.004 0.000 1.013 110 T HN 1.852 nan 8.240 nan 0.000 0.518 111 A N 1.343 124.161 122.820 -0.003 0.000 3.056 111 A HA 0.367 4.687 4.320 0.000 0.000 0.328 111 A C 1.274 178.820 177.584 -0.064 0.000 1.233 111 A CA -0.854 51.153 52.037 -0.050 0.000 0.965 111 A CB -0.326 18.655 19.000 -0.031 0.000 1.123 111 A HN 0.901 nan 8.150 nan 0.000 0.502 112 K N 0.266 120.623 120.400 -0.070 0.000 2.360 112 K HA -0.107 4.213 4.320 0.000 0.000 0.201 112 K C 0.758 177.211 176.600 -0.246 0.000 1.046 112 K CA 1.697 57.944 56.287 -0.067 0.000 0.940 112 K CB -0.042 32.448 32.500 -0.017 0.000 0.748 112 K HN 0.731 nan 8.250 nan 0.000 0.465 113 T N -1.766 112.515 114.554 -0.455 0.000 3.415 113 T HA 0.335 4.685 4.350 0.000 0.000 0.282 113 T C 0.063 174.275 174.700 -0.814 0.000 1.007 113 T CA -0.530 60.925 62.100 -1.074 0.000 0.958 113 T CB -0.167 68.095 68.868 -1.009 0.000 1.171 113 T HN -0.106 nan 8.240 nan 0.000 0.500 114 L N 3.005 123.899 121.223 -0.548 0.000 2.371 114 L HA 0.648 4.988 4.340 0.000 0.000 0.272 114 L C -0.305 176.040 176.870 -0.875 0.000 1.124 114 L CA -1.108 53.336 54.840 -0.660 0.000 0.816 114 L CB 0.658 42.289 42.059 -0.713 0.000 1.129 114 L HN 0.590 nan 8.230 nan 0.000 0.448 115 Y N 2.398 122.161 120.300 -0.896 0.000 2.624 115 Y HA 0.669 5.219 4.550 0.000 0.000 0.334 115 Y C -1.505 174.264 175.900 -0.218 0.000 1.155 115 Y CA -1.533 56.257 58.100 -0.517 0.000 1.046 115 Y CB 1.303 39.769 38.460 0.009 0.000 1.316 115 Y HN 0.332 nan 8.280 nan 0.000 0.457 116 I N 3.335 123.968 120.570 0.105 0.000 2.411 116 I HA 0.550 4.720 4.170 0.000 0.000 0.284 116 I C -0.434 175.716 176.117 0.055 0.000 1.012 116 I CA -0.495 60.780 61.300 -0.041 0.000 1.119 116 I CB 1.235 39.271 38.000 0.059 0.000 1.261 116 I HN 0.816 nan 8.210 nan 0.000 0.448 117 S N 4.931 120.619 115.700 -0.020 0.000 2.606 117 S HA 0.122 4.592 4.470 0.000 0.000 0.257 117 S C 0.794 175.368 174.600 -0.044 0.000 1.327 117 S CA -0.011 58.228 58.200 0.065 0.000 0.984 117 S CB 0.454 63.700 63.200 0.076 0.000 0.941 117 S HN 0.722 nan 8.310 nan 0.000 0.576 118 D N -0.363 119.984 120.400 -0.088 0.000 2.340 118 D HA 0.002 4.643 4.640 0.000 0.000 0.220 118 D C 1.040 177.310 176.300 -0.049 0.000 1.039 118 D CA 0.170 54.073 54.000 -0.161 0.000 0.866 118 D CB -0.449 40.170 40.800 -0.302 0.000 0.913 118 D HN 0.390 nan 8.370 nan 0.000 0.523 119 S N 0.202 115.892 115.700 -0.016 0.000 2.447 119 S HA -0.109 4.361 4.470 0.000 0.000 0.233 119 S C 0.748 175.345 174.600 -0.005 0.000 1.006 119 S CA 0.393 58.594 58.200 0.002 0.000 0.957 119 S CB -0.127 63.078 63.200 0.008 0.000 0.773 119 S HN 0.302 nan 8.310 nan 0.000 0.507 120 D N 1.359 121.747 120.400 -0.020 0.000 2.316 120 D HA 0.155 4.795 4.640 0.000 0.000 0.245 120 D C 0.477 176.781 176.300 0.007 0.000 1.171 120 D CA -0.116 53.877 54.000 -0.011 0.000 0.856 120 D CB 0.750 41.530 40.800 -0.033 0.000 1.090 120 D HN -0.100 nan 8.370 nan 0.000 0.476 121 K N 2.786 123.200 120.400 0.024 0.000 2.426 121 K HA 0.081 4.401 4.320 0.000 0.000 0.193 121 K C 0.594 177.223 176.600 0.049 0.000 1.028 121 K CA -0.060 56.247 56.287 0.033 0.000 1.047 121 K CB 0.302 32.823 32.500 0.035 0.000 0.821 121 K HN 0.338 nan 8.250 nan 0.000 0.513 122 R N 1.571 122.113 120.500 0.070 0.000 2.640 122 R HA 0.002 4.342 4.340 0.000 0.000 0.270 122 R C 1.186 177.537 176.300 0.085 0.000 1.024 122 R CA 0.156 56.317 56.100 0.102 0.000 1.085 122 R CB 0.384 30.774 30.300 0.150 0.000 0.963 122 R HN -0.112 nan 8.270 nan 0.000 0.426 123 K N 2.125 122.566 120.400 0.067 0.000 2.243 123 K HA 0.039 4.359 4.320 0.000 0.000 0.201 123 K C 0.688 177.065 176.600 -0.372 0.000 1.051 123 K CA 1.308 57.539 56.287 -0.094 0.000 0.970 123 K CB 0.154 32.654 32.500 -0.001 0.000 0.755 123 K HN 0.599 nan 8.250 nan 0.000 0.465 124 H N -1.106 117.982 119.070 0.030 0.000 2.941 124 H HA 0.474 5.030 4.556 0.000 0.000 0.344 124 H C -0.616 174.740 175.328 0.047 0.000 1.235 124 H CA -0.893 55.110 56.048 -0.076 0.000 1.149 124 H CB 1.933 31.636 29.762 -0.099 0.000 1.885 124 H HN -0.042 nan 8.280 nan 0.000 0.558 125 F N -0.685 119.360 119.950 0.158 0.000 2.878 125 F HA 0.508 5.035 4.527 0.000 0.000 0.322 125 F C -2.056 173.799 175.800 0.092 0.000 1.154 125 F CA -1.287 56.771 58.000 0.097 0.000 0.896 125 F CB 1.154 40.194 39.000 0.067 0.000 1.313 125 F HN 0.424 nan 8.300 nan 0.000 0.451 126 M N 2.100 121.930 119.600 0.385 0.000 2.501 126 M HA 0.635 5.115 4.480 0.000 0.000 0.293 126 M C -1.750 174.763 176.300 0.355 0.000 1.192 126 M CA -0.892 54.560 55.300 0.252 0.000 0.886 126 M CB 2.338 35.015 32.600 0.128 0.000 1.710 126 M HN 0.720 nan 8.290 nan 0.000 0.457 127 L N 1.694 123.071 121.223 0.257 0.000 2.416 127 L HA 0.295 4.636 4.340 0.000 0.000 0.272 127 L C 0.528 177.475 176.870 0.129 0.000 1.161 127 L CA -0.014 54.943 54.840 0.195 0.000 0.845 127 L CB 1.073 43.209 42.059 0.127 0.000 1.119 127 L HN 0.818 nan 8.230 nan 0.000 0.464 128 S N 2.198 117.962 115.700 0.107 0.000 2.451 128 S HA 0.539 5.009 4.470 0.000 0.000 0.301 128 S C -0.508 174.146 174.600 0.089 0.000 1.116 128 S CA -0.559 57.693 58.200 0.086 0.000 1.093 128 S CB 1.228 64.463 63.200 0.059 0.000 1.017 128 S HN 0.311 nan 8.310 nan 0.000 0.482 129 V N 6.180 126.161 119.914 0.111 0.000 2.305 129 V HA 0.348 4.468 4.120 0.000 0.000 0.275 129 V C 0.083 176.267 176.094 0.149 0.000 1.020 129 V CA -0.791 61.587 62.300 0.130 0.000 0.811 129 V CB 1.102 33.013 31.823 0.148 0.000 1.031 129 V HN 0.849 nan 8.190 nan 0.000 0.439 130 K N 4.592 125.060 120.400 0.114 0.000 2.202 130 K HA 0.666 4.986 4.320 0.000 0.000 0.264 130 K C -0.522 176.124 176.600 0.077 0.000 1.010 130 K CA -0.131 56.207 56.287 0.085 0.000 0.940 130 K CB 0.820 33.353 32.500 0.055 0.000 0.983 130 K HN 0.641 nan 8.250 nan 0.000 0.475 131 M N 4.942 124.572 119.600 0.051 0.000 2.319 131 M HA 0.298 4.778 4.480 0.000 0.000 0.265 131 M C -2.011 174.252 176.300 -0.060 0.000 1.038 131 M CA -0.566 54.684 55.300 -0.083 0.000 0.946 131 M CB 0.776 33.436 32.600 0.101 0.000 1.984 131 M HN 0.619 nan 8.290 nan 0.000 0.482 132 F N 1.461 121.408 119.950 -0.004 0.000 2.675 132 F HA 0.766 5.293 4.527 0.000 0.000 0.324 132 F C -1.623 174.121 175.800 -0.093 0.000 1.106 132 F CA -1.210 56.735 58.000 -0.091 0.000 0.970 132 F CB 0.664 39.651 39.000 -0.021 0.000 1.385 132 F HN 0.447 nan 8.300 nan 0.000 0.489 133 Y N 0.072 120.629 120.300 0.428 0.000 2.334 133 Y HA 0.463 5.013 4.550 0.000 0.000 0.325 133 Y C 1.702 177.814 175.900 0.354 0.000 1.308 133 Y CA -0.189 58.088 58.100 0.295 0.000 1.389 133 Y CB 1.184 39.770 38.460 0.209 0.000 1.328 133 Y HN 0.862 nan 8.280 nan 0.000 0.532 134 G N 0.479 109.526 108.800 0.412 0.000 2.476 134 G HA2 -0.343 3.617 3.960 0.000 0.000 0.218 134 G HA3 -0.343 3.617 3.960 0.000 0.000 0.218 134 G C 0.643 175.669 174.900 0.210 0.000 1.164 134 G CA 1.086 46.355 45.100 0.282 0.000 0.768 134 G HN 0.856 nan 8.290 nan 0.000 0.560 135 N N -0.197 118.609 118.700 0.177 0.000 2.509 135 N HA 0.175 4.915 4.740 0.000 0.000 0.239 135 N C 0.952 176.506 175.510 0.072 0.000 1.215 135 N CA 0.831 53.939 53.050 0.097 0.000 0.882 135 N CB -0.044 38.486 38.487 0.070 0.000 1.189 135 N HN 0.286 nan 8.380 nan 0.000 0.490 136 S N -2.935 112.795 115.700 0.049 0.000 3.319 136 S HA -0.290 4.180 4.470 0.000 0.000 0.319 136 S C -0.233 174.370 174.600 0.005 0.000 1.236 136 S CA 1.158 59.294 58.200 -0.105 0.000 0.964 136 S CB -2.133 60.957 63.200 -0.183 0.000 1.040 136 S HN 0.594 nan 8.310 nan 0.000 0.620 137 D N 2.277 122.773 120.400 0.159 0.000 2.399 137 D HA 0.495 5.135 4.640 0.000 0.000 0.241 137 D C -0.047 176.381 176.300 0.214 0.000 1.133 137 D CA 0.150 54.269 54.000 0.198 0.000 0.890 137 D CB 0.583 41.581 40.800 0.329 0.000 1.201 137 D HN 0.286 nan 8.370 nan 0.000 0.432 138 D N 1.548 122.023 120.400 0.126 0.000 2.175 138 D HA 0.282 4.922 4.640 0.000 0.000 0.248 138 D C 0.743 177.058 176.300 0.024 0.000 1.047 138 D CA -0.358 53.691 54.000 0.082 0.000 0.883 138 D CB 1.305 42.114 40.800 0.015 0.000 1.180 138 D HN 0.278 nan 8.370 nan 0.000 0.438 139 I N 0.956 121.510 120.570 -0.027 0.000 2.900 139 I HA 0.327 4.497 4.170 0.000 0.000 0.251 139 I C 1.311 177.343 176.117 -0.143 0.000 1.102 139 I CA 0.341 61.589 61.300 -0.086 0.000 1.457 139 I CB 0.344 38.307 38.000 -0.062 0.000 1.285 139 I HN 0.566 nan 8.210 nan 0.000 0.459 140 G N -0.097 108.630 108.800 -0.122 0.000 2.345 140 G HA2 0.291 4.251 3.960 0.000 0.000 0.285 140 G HA3 0.291 4.251 3.960 0.000 0.000 0.285 140 G C -1.832 172.820 174.900 -0.412 0.000 1.297 140 G CA -0.526 44.335 45.100 -0.398 0.000 0.875 140 G HN -0.168 nan 8.290 nan 0.000 0.506 141 V N 0.740 120.227 119.914 -0.713 0.000 2.488 141 V HA 0.612 4.732 4.120 0.000 0.000 0.293 141 V C -1.155 174.577 176.094 -0.603 0.000 1.027 141 V CA -0.566 61.486 62.300 -0.412 0.000 0.862 141 V CB 0.830 32.521 31.823 -0.221 0.000 1.008 141 V HN 0.604 nan 8.190 nan 0.000 0.428 142 F N 5.181 125.013 119.950 -0.196 0.000 2.450 142 F HA 0.870 5.397 4.527 0.000 0.000 0.332 142 F C -0.237 175.499 175.800 -0.107 0.000 1.093 142 F CA -1.175 56.602 58.000 -0.371 0.000 1.003 142 F CB 1.528 40.200 39.000 -0.546 0.000 1.151 142 F HN 0.224 nan 8.300 nan 0.000 0.474 143 L N 0.321 121.654 121.223 0.183 0.000 2.341 143 L HA 0.747 5.087 4.340 0.000 0.000 0.267 143 L C 0.119 177.165 176.870 0.293 0.000 1.009 143 L CA -1.123 53.847 54.840 0.218 0.000 0.819 143 L CB 1.177 43.332 42.059 0.161 0.000 1.323 143 L HN 0.610 nan 8.230 nan 0.000 0.425 144 S N -0.208 115.571 115.700 0.133 0.000 2.645 144 S HA 0.518 4.989 4.470 0.000 0.000 0.266 144 S C 0.080 174.758 174.600 0.130 0.000 1.258 144 S CA -0.885 57.324 58.200 0.015 0.000 0.990 144 S CB 0.650 63.525 63.200 -0.541 0.000 0.967 144 S HN 0.454 nan 8.310 nan 0.000 0.556 145 K N 1.397 121.970 120.400 0.289 0.000 2.319 145 K HA 0.112 4.432 4.320 0.000 0.000 0.265 145 K C 0.568 177.301 176.600 0.220 0.000 1.000 145 K CA -0.099 56.332 56.287 0.239 0.000 0.943 145 K CB 0.285 32.914 32.500 0.215 0.000 0.950 145 K HN 0.807 nan 8.250 nan 0.000 0.485 146 R N 1.041 121.592 120.500 0.086 0.000 2.758 146 R HA 0.162 4.502 4.340 0.000 0.000 0.263 146 R C 0.083 176.359 176.300 -0.041 0.000 1.010 146 R CA 0.270 56.369 56.100 -0.002 0.000 1.114 146 R CB -0.103 30.174 30.300 -0.038 0.000 0.985 146 R HN 0.427 nan 8.270 nan 0.000 0.439 147 I N 0.895 121.291 120.570 -0.290 0.000 2.498 147 I HA 0.268 4.438 4.170 0.000 0.000 0.290 147 I C -0.200 175.598 176.117 -0.533 0.000 1.032 147 I CA -0.994 60.038 61.300 -0.446 0.000 1.073 147 I CB 2.151 39.694 38.000 -0.761 0.000 1.251 147 I HN 0.606 nan 8.210 nan 0.000 0.426 148 K N 5.304 125.526 120.400 -0.298 0.000 2.143 148 K HA 0.540 4.860 4.320 0.000 0.000 0.272 148 K C -1.096 175.336 176.600 -0.281 0.000 1.001 148 K CA -0.472 55.591 56.287 -0.373 0.000 0.915 148 K CB 1.585 33.929 32.500 -0.260 0.000 1.047 148 K HN 0.365 nan 8.250 nan 0.000 0.458 149 V N 6.307 126.074 119.914 -0.244 0.000 2.465 149 V HA 0.297 4.417 4.120 0.000 0.000 0.279 149 V C 0.174 176.232 176.094 -0.060 0.000 1.045 149 V CA -0.533 61.732 62.300 -0.058 0.000 0.938 149 V CB 0.795 32.630 31.823 0.018 0.000 0.986 149 V HN 0.698 nan 8.190 nan 0.000 0.467 150 I N 2.133 122.700 120.570 -0.005 0.000 2.545 150 I HA 0.509 4.679 4.170 0.000 0.000 0.292 150 I C 0.925 177.084 176.117 0.071 0.000 1.040 150 I CA -0.416 60.895 61.300 0.019 0.000 1.068 150 I CB 2.460 40.469 38.000 0.014 0.000 1.251 150 I HN 0.560 nan 8.210 nan 0.000 0.424 151 S N 3.805 119.566 115.700 0.101 0.000 2.555 151 S HA 0.085 4.555 4.470 0.000 0.000 0.230 151 S C 0.470 175.196 174.600 0.209 0.000 0.978 151 S CA 0.425 58.742 58.200 0.195 0.000 0.934 151 S CB -0.245 63.091 63.200 0.227 0.000 0.766 151 S HN 0.852 nan 8.310 nan 0.000 0.533 152 K N 0.619 121.102 120.400 0.138 0.000 2.931 152 K HA 0.144 4.464 4.320 0.000 0.000 0.321 152 K C -3.288 173.372 176.600 0.099 0.000 1.191 152 K CA -0.966 55.397 56.287 0.126 0.000 0.954 152 K CB 0.533 33.102 32.500 0.116 0.000 1.350 152 K HN -0.030 nan 8.250 nan 0.000 0.396 153 P HA 0.063 nan 4.420 nan 0.000 0.270 153 P C -0.862 176.505 177.300 0.111 0.000 1.223 153 P CA -0.249 62.908 63.100 0.096 0.000 0.785 153 P CB 0.772 32.551 31.700 0.131 0.000 0.923 154 S N 1.398 117.162 115.700 0.106 0.000 2.415 154 S HA 0.140 4.610 4.470 0.000 0.000 0.313 154 S C 1.037 175.806 174.600 0.282 0.000 1.067 154 S CA -0.499 57.783 58.200 0.137 0.000 1.099 154 S CB 0.375 63.629 63.200 0.090 0.000 0.991 154 S HN 0.475 nan 8.310 nan 0.000 0.491 155 K N 2.118 122.650 120.400 0.219 0.000 2.459 155 K HA 0.081 4.401 4.320 0.000 0.000 0.193 155 K C 0.815 177.489 176.600 0.123 0.000 1.030 155 K CA 0.611 57.004 56.287 0.178 0.000 1.026 155 K CB 0.177 32.718 32.500 0.069 0.000 0.809 155 K HN 0.190 nan 8.250 nan 0.000 0.504 156 K N 1.508 121.985 120.400 0.128 0.000 2.916 156 K HA 0.029 4.349 4.320 0.000 0.000 0.320 156 K C -0.143 176.530 176.600 0.122 0.000 1.032 156 K CA 0.148 56.493 56.287 0.095 0.000 1.074 156 K CB 0.106 32.652 32.500 0.077 0.000 1.192 156 K HN -0.091 nan 8.250 nan 0.000 0.468 157 K N 1.404 121.863 120.400 0.098 0.000 2.144 157 K HA 0.219 4.539 4.320 0.000 0.000 0.270 157 K C -0.707 175.960 176.600 0.111 0.000 1.005 157 K CA -0.325 56.026 56.287 0.107 0.000 0.932 157 K CB 0.979 33.526 32.500 0.078 0.000 1.021 157 K HN 0.210 nan 8.250 nan 0.000 0.462 158 Q N 1.294 121.169 119.800 0.124 0.000 2.303 158 Q HA 0.215 4.555 4.340 0.000 0.000 0.267 158 Q C -0.665 175.391 176.000 0.093 0.000 1.011 158 Q CA -0.397 55.467 55.803 0.101 0.000 0.740 158 Q CB 2.148 30.946 28.738 0.101 0.000 1.250 158 Q HN 0.828 nan 8.270 nan 0.000 0.458 159 S N 1.835 117.578 115.700 0.071 0.000 2.641 159 S HA 0.351 4.821 4.470 0.000 0.000 0.261 159 S C 0.669 175.304 174.600 0.058 0.000 1.257 159 S CA -0.386 57.851 58.200 0.061 0.000 0.983 159 S CB 0.422 63.648 63.200 0.044 0.000 0.990 159 S HN 0.579 nan 8.310 nan 0.000 0.572 160 L N 2.053 123.299 121.223 0.037 0.000 2.848 160 L HA 0.247 4.587 4.340 0.000 0.000 0.240 160 L C 0.943 177.803 176.870 -0.015 0.000 1.232 160 L CA 0.331 55.175 54.840 0.005 0.000 1.031 160 L CB -0.621 41.415 42.059 -0.038 0.000 1.338 160 L HN 0.685 nan 8.230 nan 0.000 0.509 161 K N -1.752 118.657 120.400 0.014 0.000 2.350 161 K HA 0.044 4.364 4.320 0.000 0.000 0.196 161 K C 1.079 177.699 176.600 0.032 0.000 1.084 161 K CA 0.311 56.606 56.287 0.013 0.000 0.967 161 K CB 0.159 32.667 32.500 0.013 0.000 0.950 161 K HN -0.086 nan 8.250 nan 0.000 0.512 162 N N 1.467 120.192 118.700 0.043 0.000 3.271 162 N HA 0.270 5.010 4.740 0.000 0.000 0.303 162 N C -0.453 175.096 175.510 0.065 0.000 1.415 162 N CA 0.031 53.110 53.050 0.048 0.000 1.159 162 N CB 0.510 39.021 38.487 0.040 0.000 1.432 162 N HN 0.392 nan 8.380 nan 0.000 0.521 163 A N 0.966 123.845 122.820 0.098 0.000 2.404 163 A HA 0.111 4.431 4.320 0.000 0.000 0.258 163 A C 1.001 178.626 177.584 0.070 0.000 1.644 163 A CA 0.891 53.019 52.037 0.151 0.000 0.847 163 A CB -0.308 18.884 19.000 0.319 0.000 1.473 163 A HN 0.613 nan 8.150 nan 0.000 0.602 164 D N -4.129 116.293 120.400 0.038 0.000 2.705 164 D HA -0.153 4.487 4.640 0.000 0.000 0.187 164 D C 0.411 176.687 176.300 -0.040 0.000 1.015 164 D CA 1.780 55.774 54.000 -0.009 0.000 1.030 164 D CB -1.111 39.702 40.800 0.023 0.000 1.100 164 D HN 0.299 nan 8.370 nan 0.000 0.439 165 L N -0.324 120.879 121.223 -0.034 0.000 2.766 165 L HA 0.346 4.687 4.340 0.000 0.000 0.242 165 L C -0.276 176.537 176.870 -0.094 0.000 1.136 165 L CA -0.064 54.739 54.840 -0.062 0.000 0.933 165 L CB 0.781 42.815 42.059 -0.043 0.000 1.241 165 L HN 0.159 nan 8.230 nan 0.000 0.522 166 C N 0.559 119.796 119.300 -0.106 0.000 2.319 166 C HA 0.460 4.920 4.460 0.000 0.000 0.323 166 C C 0.516 175.335 174.990 -0.284 0.000 1.277 166 C CA -1.361 57.568 59.018 -0.149 0.000 1.517 166 C CB 0.641 28.381 27.740 0.000 0.000 2.206 166 C HN 0.056 nan 8.230 nan 0.000 0.486 167 I N 2.980 123.410 120.570 -0.232 0.000 2.948 167 I HA 0.311 4.481 4.170 0.000 0.000 0.290 167 I C 0.821 176.736 176.117 -0.338 0.000 1.226 167 I CA 1.047 62.211 61.300 -0.228 0.000 1.413 167 I CB 0.243 38.154 38.000 -0.148 0.000 1.352 167 I HN 0.819 nan 8.210 nan 0.000 0.597 168 A N 4.116 126.745 122.820 -0.319 0.000 2.398 168 A HA 0.562 4.882 4.320 0.000 0.000 0.301 168 A C -0.195 177.318 177.584 -0.118 0.000 1.041 168 A CA -0.636 51.193 52.037 -0.347 0.000 0.711 168 A CB 1.272 19.897 19.000 -0.625 0.000 1.240 168 A HN 0.597 nan 8.150 nan 0.000 0.420 169 S N 1.181 116.869 115.700 -0.021 0.000 2.885 169 S HA 0.374 4.844 4.470 0.000 0.000 0.334 169 S C 1.474 176.117 174.600 0.071 0.000 1.224 169 S CA 1.977 60.212 58.200 0.059 0.000 1.080 169 S CB -0.377 62.887 63.200 0.106 0.000 0.801 169 S HN 2.481 nan 8.310 nan 0.000 0.510 170 G N 3.337 112.191 108.800 0.090 0.000 2.697 170 G HA2 -0.233 3.727 3.960 0.000 0.000 0.200 170 G HA3 -0.233 3.727 3.960 0.000 0.000 0.200 170 G C 0.487 175.455 174.900 0.113 0.000 1.106 170 G CA 0.419 45.574 45.100 0.091 0.000 0.748 170 G HN 1.403 nan 8.290 nan 0.000 0.503 171 T N 0.088 114.678 114.554 0.060 0.000 2.619 171 T HA 0.530 4.880 4.350 0.000 0.000 0.330 171 T C 0.365 175.132 174.700 0.111 0.000 1.037 171 T CA 0.982 63.118 62.100 0.062 0.000 1.005 171 T CB 0.901 69.749 68.868 -0.033 0.000 1.084 171 T HN 0.600 nan 8.240 nan 0.000 0.521 172 K N -0.495 119.930 120.400 0.042 0.000 2.350 172 K HA 0.755 5.075 4.320 0.000 0.000 0.241 172 K C -0.934 175.660 176.600 -0.010 0.000 0.994 172 K CA -1.055 55.231 56.287 -0.002 0.000 0.839 172 K CB 2.286 34.721 32.500 -0.108 0.000 1.244 172 K HN 0.709 nan 8.250 nan 0.000 0.443 173 V N -2.778 117.144 119.914 0.014 0.000 3.178 173 V HA 0.864 4.984 4.120 0.000 0.000 0.302 173 V C -1.494 174.623 176.094 0.038 0.000 1.262 173 V CA -1.233 61.076 62.300 0.016 0.000 1.030 173 V CB 1.559 33.403 31.823 0.034 0.000 1.074 173 V HN 0.882 nan 8.190 nan 0.000 0.438 174 A N 2.330 125.147 122.820 -0.006 0.000 2.340 174 A HA 0.988 5.308 4.320 0.000 0.000 0.331 174 A C -0.974 176.631 177.584 0.036 0.000 1.140 174 A CA -0.823 51.221 52.037 0.012 0.000 0.801 174 A CB 1.478 20.345 19.000 -0.221 0.000 1.234 174 A HN 1.086 nan 8.150 nan 0.000 0.469 175 L N 2.215 123.489 121.223 0.085 0.000 2.406 175 L HA 0.675 5.015 4.340 0.000 0.000 0.272 175 L C -1.190 175.780 176.870 0.166 0.000 0.980 175 L CA -0.378 54.418 54.840 -0.074 0.000 0.831 175 L CB 1.495 43.297 42.059 -0.427 0.000 1.253 175 L HN 0.781 nan 8.230 nan 0.000 0.406 176 F N 0.729 120.830 119.950 0.252 0.000 2.588 176 F HA 0.591 5.118 4.527 0.000 0.000 0.310 176 F C -0.839 175.144 175.800 0.306 0.000 1.082 176 F CA -1.027 57.125 58.000 0.253 0.000 0.929 176 F CB 1.412 40.447 39.000 0.058 0.000 1.254 176 F HN 0.345 nan 8.300 nan 0.000 0.455 177 N N 2.243 121.212 118.700 0.447 0.000 2.399 177 N HA 0.398 5.138 4.740 0.000 0.000 0.295 177 N C -1.535 174.041 175.510 0.110 0.000 1.048 177 N CA -0.570 52.561 53.050 0.136 0.000 0.886 177 N CB 1.892 40.252 38.487 -0.212 0.000 1.185 177 N HN 0.886 nan 8.380 nan 0.000 0.487 178 R N 4.061 124.613 120.500 0.087 0.000 2.312 178 R HA 0.375 4.716 4.340 0.000 0.000 0.310 178 R C -0.663 175.634 176.300 -0.006 0.000 1.064 178 R CA -0.439 55.695 56.100 0.057 0.000 0.983 178 R CB 0.167 30.538 30.300 0.118 0.000 1.139 178 R HN 0.539 nan 8.270 nan 0.000 0.536 179 L N 5.568 126.773 121.223 -0.030 0.000 2.530 179 L HA 0.160 4.500 4.340 0.000 0.000 0.273 179 L C 0.718 177.571 176.870 -0.029 0.000 1.141 179 L CA 0.175 54.990 54.840 -0.041 0.000 0.905 179 L CB 0.254 42.286 42.059 -0.045 0.000 1.202 179 L HN 0.767 nan 8.230 nan 0.000 0.473 180 R N 1.602 122.084 120.500 -0.029 0.000 3.932 180 R HA -0.266 4.074 4.340 0.000 0.000 0.318 180 R C 0.790 177.081 176.300 -0.016 0.000 1.219 180 R CA 0.739 56.825 56.100 -0.022 0.000 0.889 180 R CB -1.624 28.662 30.300 -0.023 0.000 1.309 180 R HN 0.802 nan 8.270 nan 0.000 0.537 181 S N -1.041 114.652 115.700 -0.011 0.000 3.533 181 S HA -0.135 4.335 4.470 0.000 0.000 0.287 181 S C -0.473 174.116 174.600 -0.020 0.000 1.241 181 S CA 0.950 59.145 58.200 -0.009 0.000 0.858 181 S CB -0.380 62.815 63.200 -0.010 0.000 1.033 181 S HN 0.406 nan 8.310 nan 0.000 0.619 182 Q N 1.280 121.067 119.800 -0.021 0.000 2.413 182 Q HA 0.317 4.657 4.340 0.000 0.000 0.258 182 Q C 1.074 177.057 176.000 -0.029 0.000 1.037 182 Q CA 0.350 56.138 55.803 -0.026 0.000 0.764 182 Q CB 1.271 29.997 28.738 -0.021 0.000 1.217 182 Q HN 0.428 nan 8.270 nan 0.000 0.490 183 T N 0.807 115.335 114.554 -0.043 0.000 2.836 183 T HA -0.167 4.184 4.350 0.000 0.000 0.268 183 T C 1.375 176.071 174.700 -0.008 0.000 1.080 183 T CA 1.962 64.037 62.100 -0.041 0.000 1.128 183 T CB 0.165 68.986 68.868 -0.078 0.000 0.839 183 T HN 0.365 nan 8.240 nan 0.000 0.507 184 V N 0.937 120.849 119.914 -0.004 0.000 3.461 184 V HA 0.068 4.188 4.120 0.000 0.000 0.267 184 V C 2.213 178.308 176.094 0.001 0.000 1.186 184 V CA 1.820 64.126 62.300 0.010 0.000 1.154 184 V CB -0.425 31.404 31.823 0.010 0.000 0.802 184 V HN 0.742 nan 8.190 nan 0.000 0.474 185 S N -0.797 114.895 115.700 -0.014 0.000 2.404 185 S HA -0.007 4.463 4.470 0.000 0.000 0.223 185 S C 1.106 175.678 174.600 -0.046 0.000 1.040 185 S CA 0.740 58.926 58.200 -0.023 0.000 0.957 185 S CB -0.937 62.248 63.200 -0.025 0.000 0.826 185 S HN 0.546 nan 8.310 nan 0.000 0.491 186 T N 3.766 118.277 114.554 -0.073 0.000 2.437 186 T HA -0.072 4.278 4.350 0.000 0.000 0.212 186 T C -0.069 174.451 174.700 -0.300 0.000 1.046 186 T CA 0.952 62.946 62.100 -0.178 0.000 1.191 186 T CB -0.392 68.341 68.868 -0.226 0.000 1.010 186 T HN 0.448 nan 8.240 nan 0.000 0.462 187 R N 2.118 122.430 120.500 -0.313 0.000 2.686 187 R HA 0.539 4.879 4.340 0.000 0.000 0.286 187 R C -1.275 174.849 176.300 -0.293 0.000 0.969 187 R CA -0.879 55.075 56.100 -0.244 0.000 0.898 187 R CB 1.658 31.973 30.300 0.026 0.000 1.183 187 R HN 0.525 nan 8.270 nan 0.000 0.456 188 Y N 1.053 121.549 120.300 0.326 0.000 2.429 188 Y HA 0.327 4.877 4.550 0.000 0.000 0.342 188 Y C 0.328 176.429 175.900 0.335 0.000 1.004 188 Y CA -1.107 57.207 58.100 0.356 0.000 1.075 188 Y CB 1.244 39.903 38.460 0.333 0.000 1.214 188 Y HN 0.329 nan 8.280 nan 0.000 0.455 189 L N 4.431 125.861 121.223 0.345 0.000 2.534 189 L HA 0.081 4.421 4.340 0.000 0.000 0.271 189 L C -0.513 176.645 176.870 0.481 0.000 1.178 189 L CA 0.585 55.593 54.840 0.281 0.000 0.907 189 L CB -0.096 41.962 42.059 -0.000 0.000 1.164 189 L HN 0.844 nan 8.230 nan 0.000 0.482 190 H N 3.651 122.912 119.070 0.318 0.000 3.024 190 H HA 0.772 5.328 4.556 0.000 0.000 0.305 190 H C -1.455 173.944 175.328 0.118 0.000 1.506 190 H CA -0.623 55.555 56.048 0.217 0.000 1.324 190 H CB 2.026 31.920 29.762 0.220 0.000 1.925 190 H HN 0.259 nan 8.280 nan 0.000 0.661 191 V N 1.384 120.812 119.914 -0.810 0.000 2.852 191 V HA 0.385 4.505 4.120 0.000 0.000 0.300 191 V C -1.197 174.654 176.094 -0.406 0.000 1.205 191 V CA -0.665 61.283 62.300 -0.586 0.000 0.940 191 V CB 1.861 33.297 31.823 -0.645 0.000 1.047 191 V HN 0.795 nan 8.190 nan 0.000 0.429 192 E N 2.313 122.469 120.200 -0.073 0.000 2.380 192 E HA 0.498 4.848 4.350 0.000 0.000 0.281 192 E C 0.525 177.240 176.600 0.192 0.000 0.999 192 E CA 0.286 56.788 56.400 0.169 0.000 0.800 192 E CB 2.098 32.014 29.700 0.359 0.000 1.228 192 E HN 1.238 nan 8.360 nan 0.000 0.436 193 G N 1.608 110.473 108.800 0.108 0.000 2.166 193 G HA2 -0.274 3.686 3.960 0.000 0.000 0.260 193 G HA3 -0.274 3.686 3.960 0.000 0.000 0.260 193 G C 0.967 175.883 174.900 0.027 0.000 0.986 193 G CA 1.258 46.409 45.100 0.084 0.000 0.683 193 G HN 1.567 nan 8.290 nan 0.000 0.527 194 G N -1.403 107.381 108.800 -0.027 0.000 2.234 194 G HA2 -0.228 3.732 3.960 0.000 0.000 0.235 194 G HA3 -0.228 3.732 3.960 0.000 0.000 0.235 194 G C 0.146 175.013 174.900 -0.055 0.000 0.997 194 G CA 0.791 45.869 45.100 -0.036 0.000 0.623 194 G HN 1.555 nan 8.290 nan 0.000 0.514 195 N N -0.927 117.701 118.700 -0.120 0.000 2.457 195 N HA 0.708 5.448 4.740 0.000 0.000 0.290 195 N C -0.824 174.503 175.510 -0.305 0.000 1.232 195 N CA -0.878 52.125 53.050 -0.079 0.000 0.852 195 N CB 0.547 39.020 38.487 -0.024 0.000 1.313 195 N HN -0.049 nan 8.380 nan 0.000 0.522 196 F N 2.160 121.962 119.950 -0.247 0.000 2.438 196 F HA 0.260 4.787 4.527 0.000 0.000 0.360 196 F C 1.089 176.794 175.800 -0.159 0.000 1.118 196 F CA -0.235 57.648 58.000 -0.194 0.000 1.164 196 F CB 0.046 38.987 39.000 -0.097 0.000 1.131 196 F HN 0.340 nan 8.300 nan 0.000 0.527 197 H N 1.916 121.113 119.070 0.212 0.000 2.683 197 H HA 0.709 5.265 4.556 0.000 0.000 0.276 197 H C 0.109 175.603 175.328 0.277 0.000 1.564 197 H CA -0.393 55.788 56.048 0.222 0.000 1.590 197 H CB 0.784 30.671 29.762 0.209 0.000 1.692 197 H HN 0.452 nan 8.280 nan 0.000 0.871 198 A N 0.301 123.377 122.820 0.426 0.000 2.602 198 A HA 0.136 4.456 4.320 0.000 0.000 0.238 198 A C 0.450 178.210 177.584 0.293 0.000 0.863 198 A CA -0.096 52.165 52.037 0.373 0.000 1.148 198 A CB -0.102 19.106 19.000 0.347 0.000 1.227 198 A HN 0.440 nan 8.150 nan 0.000 0.460 199 S N 0.695 116.574 115.700 0.298 0.000 2.553 199 S HA 0.111 4.581 4.470 0.000 0.000 0.293 199 S C 1.359 176.084 174.600 0.207 0.000 1.296 199 S CA 0.991 59.312 58.200 0.202 0.000 1.046 199 S CB 0.339 63.627 63.200 0.147 0.000 0.810 199 S HN 1.445 nan 8.310 nan 0.000 0.505 200 S N 3.452 119.239 115.700 0.144 0.000 2.602 200 S HA 0.283 4.753 4.470 0.000 0.000 0.240 200 S C 0.787 175.509 174.600 0.203 0.000 0.992 200 S CA -0.587 57.691 58.200 0.130 0.000 0.971 200 S CB 0.320 63.554 63.200 0.057 0.000 0.855 200 S HN 0.681 nan 8.310 nan 0.000 0.481 201 Q N 1.235 121.144 119.800 0.181 0.000 2.622 201 Q HA 0.330 4.670 4.340 0.000 0.000 0.208 201 Q C 0.433 176.476 176.000 0.072 0.000 0.911 201 Q CA 0.793 56.663 55.803 0.112 0.000 0.893 201 Q CB -0.154 28.607 28.738 0.037 0.000 1.124 201 Q HN 0.658 nan 8.270 nan 0.000 0.634 202 Q N 0.090 119.849 119.800 -0.069 0.000 2.207 202 Q HA 0.470 4.810 4.340 0.000 0.000 0.237 202 Q C -0.567 175.386 176.000 -0.079 0.000 0.998 202 Q CA -0.684 54.930 55.803 -0.316 0.000 0.951 202 Q CB 1.654 29.907 28.738 -0.808 0.000 1.213 202 Q HN 0.287 nan 8.270 nan 0.000 0.499 203 W N -1.146 119.968 121.300 -0.311 0.000 3.425 203 W HA 0.673 5.333 4.660 0.000 0.000 0.318 203 W C -1.350 175.139 176.519 -0.050 0.000 1.201 203 W CA -1.166 56.118 57.345 -0.102 0.000 1.212 203 W CB 0.666 29.911 29.460 -0.357 0.000 1.355 203 W HN 0.739 nan 8.180 nan 0.000 0.515 204 G N 0.890 109.870 108.800 0.301 0.000 2.434 204 G HA2 0.675 4.635 3.960 0.000 0.000 0.330 204 G HA3 0.675 4.635 3.960 0.000 0.000 0.330 204 G C -1.263 173.435 174.900 -0.336 0.000 1.155 204 G CA -0.803 44.192 45.100 -0.176 0.000 0.917 204 G HN 0.800 nan 8.290 nan 0.000 0.493 205 A N 0.505 123.043 122.820 -0.471 0.000 2.292 205 A HA 0.792 5.112 4.320 0.000 0.000 0.319 205 A C -1.063 176.127 177.584 -0.658 0.000 1.206 205 A CA -0.534 51.295 52.037 -0.347 0.000 0.835 205 A CB 0.404 19.287 19.000 -0.194 0.000 1.164 205 A HN 0.530 nan 8.150 nan 0.000 0.505 206 F N 1.230 121.116 119.950 -0.106 0.000 2.520 206 F HA 0.516 5.043 4.527 0.000 0.000 0.322 206 F C -0.386 175.336 175.800 -0.129 0.000 1.103 206 F CA -0.654 57.265 58.000 -0.135 0.000 0.926 206 F CB 1.794 40.774 39.000 -0.032 0.000 1.154 206 F HN 0.489 nan 8.300 nan 0.000 0.453 207 F N 3.779 123.802 119.950 0.122 0.000 2.495 207 F HA 0.239 4.766 4.527 0.000 0.000 0.365 207 F C 0.439 176.107 175.800 -0.221 0.000 1.090 207 F CA -0.499 57.409 58.000 -0.152 0.000 1.235 207 F CB 0.635 39.455 39.000 -0.300 0.000 1.119 207 F HN 0.258 nan 8.300 nan 0.000 0.562 208 I N 5.553 126.111 120.570 -0.020 0.000 2.503 208 I HA 0.220 4.390 4.170 0.000 0.000 0.277 208 I C -0.647 175.461 176.117 -0.015 0.000 1.078 208 I CA -0.500 60.799 61.300 -0.002 0.000 1.184 208 I CB -0.380 37.654 38.000 0.057 0.000 1.353 208 I HN 0.436 nan 8.210 nan 0.000 0.490 209 H N 6.483 125.650 119.070 0.162 0.000 2.610 209 H HA 0.253 4.809 4.556 0.000 0.000 0.336 209 H C -0.265 175.129 175.328 0.108 0.000 1.087 209 H CA -0.218 55.914 56.048 0.140 0.000 1.405 209 H CB 2.120 32.022 29.762 0.233 0.000 1.460 209 H HN 0.499 nan 8.280 nan 0.000 0.538 210 L N 4.105 125.456 121.223 0.213 0.000 2.334 210 L HA 0.354 4.694 4.340 0.000 0.000 0.277 210 L C -0.681 176.273 176.870 0.140 0.000 1.075 210 L CA -0.544 54.376 54.840 0.134 0.000 0.804 210 L CB 0.576 42.700 42.059 0.108 0.000 1.174 210 L HN 0.371 nan 8.230 nan 0.000 0.438 211 L N 2.680 123.962 121.223 0.099 0.000 2.371 211 L HA 0.398 4.738 4.340 0.000 0.000 0.262 211 L C -1.045 175.862 176.870 0.062 0.000 1.006 211 L CA -0.884 54.010 54.840 0.090 0.000 0.818 211 L CB 2.198 44.296 42.059 0.064 0.000 1.354 211 L HN 0.494 nan 8.230 nan 0.000 0.415 212 D N 0.497 120.931 120.400 0.057 0.000 2.308 212 D HA 0.049 4.689 4.640 0.000 0.000 0.251 212 D C 0.878 177.196 176.300 0.031 0.000 1.127 212 D CA -0.028 53.996 54.000 0.041 0.000 0.876 212 D CB 1.044 41.866 40.800 0.037 0.000 1.176 212 D HN 0.431 nan 8.370 nan 0.000 0.446 213 D N 2.348 122.764 120.400 0.026 0.000 2.263 213 D HA -0.210 4.430 4.640 0.000 0.000 0.193 213 D C 0.043 176.353 176.300 0.015 0.000 1.013 213 D CA 1.185 55.197 54.000 0.020 0.000 0.892 213 D CB 0.091 40.904 40.800 0.021 0.000 0.909 213 D HN 0.603 nan 8.370 nan 0.000 0.449 214 D N 1.406 121.816 120.400 0.017 0.000 3.008 214 D HA 0.060 4.700 4.640 0.000 0.000 0.242 214 D C 0.333 176.644 176.300 0.017 0.000 1.222 214 D CA 0.232 54.241 54.000 0.015 0.000 0.883 214 D CB -0.025 40.784 40.800 0.015 0.000 1.110 214 D HN 0.204 nan 8.370 nan 0.000 0.455 215 E N 0.366 120.574 120.200 0.013 0.000 2.250 215 E HA 0.222 4.572 4.350 0.000 0.000 0.269 215 E C 0.656 177.257 176.600 0.002 0.000 1.018 215 E CA -0.579 55.830 56.400 0.016 0.000 0.873 215 E CB 1.129 30.834 29.700 0.008 0.000 1.134 215 E HN 0.054 nan 8.360 nan 0.000 0.403 216 S N 2.525 118.233 115.700 0.013 0.000 2.207 216 S HA 0.072 4.542 4.470 0.000 0.000 0.226 216 S C 1.064 175.650 174.600 -0.023 0.000 1.286 216 S CA 0.388 58.592 58.200 0.006 0.000 1.004 216 S CB -0.240 62.979 63.200 0.031 0.000 0.907 216 S HN 0.664 nan 8.310 nan 0.000 0.443 217 E N 1.192 121.382 120.200 -0.016 0.000 2.402 217 E HA 0.400 4.750 4.350 0.000 0.000 0.261 217 E C 1.324 177.885 176.600 -0.065 0.000 0.823 217 E CA 0.126 56.505 56.400 -0.035 0.000 1.205 217 E CB -0.832 28.861 29.700 -0.012 0.000 1.431 217 E HN 0.639 nan 8.360 nan 0.000 0.518 218 G N 0.328 109.112 108.800 -0.026 0.000 3.019 218 G HA2 0.256 4.216 3.960 0.000 0.000 0.152 218 G HA3 0.256 4.216 3.960 0.000 0.000 0.152 218 G C -0.426 174.514 174.900 0.067 0.000 1.320 218 G CA -0.468 44.613 45.100 -0.031 0.000 1.013 218 G HN 0.233 nan 8.290 nan 0.000 0.593 219 E N -0.097 120.190 120.200 0.146 0.000 2.521 219 E HA 0.166 4.516 4.350 0.000 0.000 0.265 219 E C 0.311 177.100 176.600 0.315 0.000 1.291 219 E CA 0.586 57.177 56.400 0.318 0.000 1.092 219 E CB 0.148 29.958 29.700 0.183 0.000 0.992 219 E HN 0.428 nan 8.360 nan 0.000 0.492 220 E N -1.679 118.634 120.200 0.188 0.000 3.170 220 E HA -0.234 4.116 4.350 0.000 0.000 0.284 220 E C -0.157 176.456 176.600 0.022 0.000 0.967 220 E CA 0.965 57.382 56.400 0.029 0.000 0.919 220 E CB -2.440 27.282 29.700 0.037 0.000 1.469 220 E HN 0.376 nan 8.360 nan 0.000 0.444 221 F N -0.365 119.560 119.950 -0.043 0.000 2.368 221 F HA 0.629 5.156 4.527 0.000 0.000 0.308 221 F C 0.848 176.605 175.800 -0.071 0.000 1.198 221 F CA -0.729 57.243 58.000 -0.046 0.000 1.130 221 F CB 0.347 39.324 39.000 -0.039 0.000 1.300 221 F HN -0.270 nan 8.300 nan 0.000 0.537 222 T N 1.900 116.418 114.554 -0.060 0.000 2.792 222 T HA 0.549 4.899 4.350 0.000 0.000 0.280 222 T C -0.429 174.229 174.700 -0.070 0.000 0.990 222 T CA -0.688 61.306 62.100 -0.177 0.000 0.960 222 T CB 1.209 70.029 68.868 -0.080 0.000 0.939 222 T HN 0.766 nan 8.240 nan 0.000 0.439 223 V N 1.897 121.694 119.914 -0.195 0.000 2.644 223 V HA 0.743 4.863 4.120 0.000 0.000 0.295 223 V C -0.042 176.035 176.094 -0.029 0.000 1.053 223 V CA -1.045 61.215 62.300 -0.066 0.000 0.987 223 V CB 1.324 33.028 31.823 -0.200 0.000 1.006 223 V HN 0.865 nan 8.190 nan 0.000 0.472 224 R N 1.783 122.304 120.500 0.035 0.000 2.621 224 R HA 0.437 4.777 4.340 0.000 0.000 0.292 224 R C -0.597 175.738 176.300 0.059 0.000 0.969 224 R CA -0.590 55.530 56.100 0.034 0.000 0.887 224 R CB 1.560 31.885 30.300 0.041 0.000 1.180 224 R HN 0.974 nan 8.270 nan 0.000 0.450 225 D N 1.004 121.435 120.400 0.051 0.000 2.307 225 D HA 0.276 4.916 4.640 0.000 0.000 0.234 225 D C 0.219 176.584 176.300 0.108 0.000 1.308 225 D CA 2.115 56.161 54.000 0.076 0.000 0.886 225 D CB 0.337 41.176 40.800 0.065 0.000 1.202 225 D HN 0.823 nan 8.370 nan 0.000 0.479 226 G N -1.295 107.602 108.800 0.163 0.000 2.592 226 G HA2 0.003 3.963 3.960 0.000 0.000 0.685 226 G HA3 0.003 3.963 3.960 0.000 0.000 0.685 226 G C -1.254 173.825 174.900 0.298 0.000 1.278 226 G CA -1.092 44.141 45.100 0.221 0.000 0.822 226 G HN 0.221 nan 8.290 nan 0.000 0.652 227 Y N 0.081 120.354 120.300 -0.046 0.000 2.330 227 Y HA 0.591 5.141 4.550 0.000 0.000 0.341 227 Y C 1.601 177.318 175.900 -0.305 0.000 1.278 227 Y CA -0.945 57.054 58.100 -0.169 0.000 1.453 227 Y CB 0.616 38.947 38.460 -0.214 0.000 1.342 227 Y HN 0.499 nan 8.280 nan 0.000 0.590 228 I N 2.993 123.426 120.570 -0.228 0.000 2.339 228 I HA 0.250 4.420 4.170 0.000 0.000 0.290 228 I C -0.845 175.016 176.117 -0.427 0.000 0.994 228 I CA -0.643 60.501 61.300 -0.260 0.000 1.191 228 I CB 0.793 38.700 38.000 -0.155 0.000 1.343 228 I HN 0.578 nan 8.210 nan 0.000 0.458 229 H N 4.157 123.165 119.070 -0.102 0.000 2.670 229 H HA 0.457 5.013 4.556 0.000 0.000 0.361 229 H C -1.105 174.124 175.328 -0.166 0.000 1.169 229 H CA -0.935 55.025 56.048 -0.148 0.000 1.198 229 H CB 0.544 30.302 29.762 -0.005 0.000 1.700 229 H HN 0.295 nan 8.280 nan 0.000 0.542 230 Y N 0.243 120.624 120.300 0.136 0.000 2.597 230 Y HA 0.281 4.831 4.550 0.000 0.000 0.336 230 Y C 1.724 177.651 175.900 0.044 0.000 1.216 230 Y CA 1.446 59.573 58.100 0.045 0.000 1.463 230 Y CB 0.339 38.812 38.460 0.023 0.000 1.303 230 Y HN 1.038 nan 8.280 nan 0.000 0.576 231 G N 0.802 109.701 108.800 0.165 0.000 2.278 231 G HA2 -0.209 3.751 3.960 0.000 0.000 0.210 231 G HA3 -0.209 3.751 3.960 0.000 0.000 0.210 231 G C 0.047 174.990 174.900 0.073 0.000 1.000 231 G CA -0.384 44.781 45.100 0.108 0.000 0.635 231 G HN 0.555 nan 8.290 nan 0.000 0.495 232 Q N 0.645 120.481 119.800 0.060 0.000 2.317 232 Q HA 0.565 4.905 4.340 0.000 0.000 0.229 232 Q C -0.304 175.702 176.000 0.010 0.000 0.984 232 Q CA 0.329 56.158 55.803 0.044 0.000 0.911 232 Q CB 0.748 29.526 28.738 0.067 0.000 1.217 232 Q HN 0.156 nan 8.270 nan 0.000 0.501 233 T N 1.634 116.194 114.554 0.009 0.000 2.762 233 T HA 0.386 4.736 4.350 0.000 0.000 0.303 233 T C -0.371 174.318 174.700 -0.019 0.000 0.977 233 T CA -0.593 61.496 62.100 -0.019 0.000 0.961 233 T CB 0.023 68.879 68.868 -0.020 0.000 0.944 233 T HN 0.401 nan 8.240 nan 0.000 0.481 234 V N 1.340 121.227 119.914 -0.045 0.000 2.732 234 V HA 0.730 4.850 4.120 0.000 0.000 0.310 234 V C -0.264 175.820 176.094 -0.017 0.000 1.053 234 V CA -1.199 61.093 62.300 -0.012 0.000 0.957 234 V CB 1.877 33.679 31.823 -0.036 0.000 1.018 234 V HN 0.705 nan 8.190 nan 0.000 0.452 235 K N 2.966 123.388 120.400 0.037 0.000 2.535 235 K HA 0.594 4.914 4.320 0.000 0.000 0.253 235 K C -1.408 175.247 176.600 0.091 0.000 0.953 235 K CA -0.656 55.633 56.287 0.002 0.000 0.863 235 K CB 1.509 33.924 32.500 -0.142 0.000 1.111 235 K HN 0.840 nan 8.250 nan 0.000 0.431 236 L N 4.628 125.868 121.223 0.027 0.000 2.290 236 L HA 0.422 4.762 4.340 0.000 0.000 0.284 236 L C -0.510 176.379 176.870 0.031 0.000 1.078 236 L CA -0.905 53.934 54.840 -0.002 0.000 0.815 236 L CB 1.350 43.307 42.059 -0.171 0.000 1.162 236 L HN 0.304 nan 8.230 nan 0.000 0.435 237 V N 2.063 122.095 119.914 0.196 0.000 2.735 237 V HA 0.206 4.326 4.120 0.000 0.000 0.310 237 V C -0.202 176.193 176.094 0.502 0.000 1.061 237 V CA -0.854 61.643 62.300 0.328 0.000 0.913 237 V CB 2.199 34.303 31.823 0.470 0.000 1.005 237 V HN 0.896 nan 8.190 nan 0.000 0.428 238 C N 4.077 123.647 119.300 0.450 0.000 2.624 238 C HA 0.211 4.671 4.460 0.000 0.000 0.397 238 C C 2.116 177.162 174.990 0.094 0.000 1.331 238 C CA 0.307 59.575 59.018 0.417 0.000 1.716 238 C CB -0.421 27.438 27.740 0.199 0.000 2.452 238 C HN 1.133 nan 8.230 nan 0.000 0.586 239 S N 3.968 119.558 115.700 -0.184 0.000 2.440 239 S HA -0.113 4.357 4.470 0.000 0.000 0.238 239 S C 1.182 175.679 174.600 -0.171 0.000 1.010 239 S CA 1.736 59.707 58.200 -0.382 0.000 0.972 239 S CB -0.342 62.441 63.200 -0.695 0.000 0.774 239 S HN 0.760 nan 8.310 nan 0.000 0.501 240 V N 1.937 121.753 119.914 -0.162 0.000 2.635 240 V HA -0.024 4.096 4.120 0.000 0.000 0.233 240 V C 2.973 179.025 176.094 -0.070 0.000 1.097 240 V CA 1.323 63.543 62.300 -0.133 0.000 1.134 240 V CB -1.297 30.410 31.823 -0.194 0.000 0.841 240 V HN 0.665 nan 8.190 nan 0.000 0.496 241 T N -1.299 113.206 114.554 -0.083 0.000 2.708 241 T HA 0.118 4.468 4.350 0.000 0.000 0.266 241 T C 1.703 176.404 174.700 0.002 0.000 1.037 241 T CA 2.242 64.309 62.100 -0.055 0.000 1.146 241 T CB -0.263 68.543 68.868 -0.103 0.000 0.865 241 T HN 1.194 nan 8.240 nan 0.000 0.435 242 G N 1.052 109.876 108.800 0.040 0.000 2.391 242 G HA2 -0.167 3.793 3.960 0.000 0.000 0.204 242 G HA3 -0.167 3.793 3.960 0.000 0.000 0.204 242 G C 0.221 175.198 174.900 0.129 0.000 1.012 242 G CA -0.114 45.050 45.100 0.107 0.000 0.651 242 G HN 0.485 nan 8.290 nan 0.000 0.494 243 M N 1.832 121.478 119.600 0.076 0.000 2.261 243 M HA 0.499 4.979 4.480 0.000 0.000 0.350 243 M C 0.624 177.076 176.300 0.253 0.000 1.343 243 M CA 0.734 56.110 55.300 0.127 0.000 1.003 243 M CB -0.202 32.428 32.600 0.051 0.000 1.848 243 M HN 1.099 nan 8.290 nan 0.000 0.456 244 A N 4.506 127.505 122.820 0.299 0.000 2.469 244 A HA 0.833 5.153 4.320 0.000 0.000 0.299 244 A C -0.746 176.880 177.584 0.069 0.000 1.098 244 A CA -0.864 51.342 52.037 0.282 0.000 0.737 244 A CB 1.302 20.414 19.000 0.188 0.000 1.312 244 A HN 0.804 nan 8.150 nan 0.000 0.414 245 L N 1.834 122.956 121.223 -0.168 0.000 2.331 245 L HA 0.306 4.646 4.340 0.000 0.000 0.278 245 L C -2.078 174.661 176.870 -0.219 0.000 1.106 245 L CA -1.650 52.948 54.840 -0.404 0.000 0.824 245 L CB 0.826 42.569 42.059 -0.528 0.000 1.142 245 L HN 0.445 nan 8.230 nan 0.000 0.443 246 P HA 0.033 nan 4.420 nan 0.000 0.267 246 P C -0.612 176.592 177.300 -0.160 0.000 1.200 246 P CA -0.238 62.767 63.100 -0.158 0.000 0.772 246 P CB 0.366 31.986 31.700 -0.133 0.000 0.855 247 R N 1.353 121.748 120.500 -0.175 0.000 2.442 247 R HA -0.013 4.328 4.340 0.000 0.000 0.274 247 R C -0.287 175.928 176.300 -0.142 0.000 0.944 247 R CA 0.660 56.659 56.100 -0.167 0.000 1.097 247 R CB -0.624 29.574 30.300 -0.169 0.000 0.847 247 R HN 0.323 nan 8.270 nan 0.000 0.430 248 L N 1.897 123.051 121.223 -0.115 0.000 2.600 248 L HA 0.552 4.892 4.340 0.000 0.000 0.257 248 L C -0.644 176.161 176.870 -0.108 0.000 1.048 248 L CA -0.617 54.162 54.840 -0.102 0.000 0.869 248 L CB 1.488 43.554 42.059 0.011 0.000 1.482 248 L HN 0.474 nan 8.230 nan 0.000 0.408 249 I N 2.416 122.936 120.570 -0.083 0.000 2.468 249 I HA 0.401 4.571 4.170 0.000 0.000 0.284 249 I C -0.405 175.619 176.117 -0.156 0.000 1.038 249 I CA -0.556 60.713 61.300 -0.052 0.000 1.083 249 I CB 1.549 39.623 38.000 0.125 0.000 1.223 249 I HN 0.487 nan 8.210 nan 0.000 0.443 250 I N 3.635 123.997 120.570 -0.345 0.000 2.505 250 I HA 0.348 4.518 4.170 0.000 0.000 0.287 250 I C -0.248 175.878 176.117 0.014 0.000 1.104 250 I CA -0.006 61.009 61.300 -0.475 0.000 1.387 250 I CB 0.064 37.681 38.000 -0.638 0.000 1.404 250 I HN 0.554 nan 8.210 nan 0.000 0.528 251 R N 5.398 125.912 120.500 0.022 0.000 2.387 251 R HA 0.372 4.712 4.340 0.000 0.000 0.314 251 R C -0.407 175.804 176.300 -0.148 0.000 0.958 251 R CA -0.975 55.145 56.100 0.035 0.000 0.846 251 R CB 2.015 32.298 30.300 -0.029 0.000 1.147 251 R HN 0.616 nan 8.270 nan 0.000 0.447 252 K N 2.554 122.475 120.400 -0.797 0.000 2.489 252 K HA 0.107 4.427 4.320 0.000 0.000 0.278 252 K C -0.075 176.253 176.600 -0.453 0.000 1.000 252 K CA -0.123 55.437 56.287 -1.211 0.000 1.012 252 K CB 0.593 32.079 32.500 -1.689 0.000 0.903 252 K HN 0.460 nan 8.250 nan 0.000 0.485 253 V N 0.578 120.320 119.914 -0.285 0.000 3.155 253 V HA 0.731 4.851 4.120 0.000 0.000 0.313 253 V C -1.426 174.590 176.094 -0.129 0.000 1.162 253 V CA -0.596 61.616 62.300 -0.147 0.000 1.048 253 V CB 2.074 33.860 31.823 -0.062 0.000 1.092 253 V HN 1.079 nan 8.190 nan 0.000 0.447 254 D N 0.464 120.816 120.400 -0.079 0.000 2.785 254 D HA 0.139 4.780 4.640 0.000 0.000 0.239 254 D C -0.454 175.823 176.300 -0.038 0.000 1.142 254 D CA -0.241 53.722 54.000 -0.062 0.000 0.734 254 D CB 1.342 42.096 40.800 -0.076 0.000 1.820 254 D HN 0.998 nan 8.370 nan 0.000 0.461 255 K N 1.693 122.076 120.400 -0.027 0.000 3.012 255 K HA -0.299 4.021 4.320 0.000 0.000 0.259 255 K C -0.020 176.573 176.600 -0.012 0.000 0.989 255 K CA 2.106 58.382 56.287 -0.018 0.000 0.728 255 K CB -2.053 30.437 32.500 -0.018 0.000 1.260 255 K HN 0.681 nan 8.250 nan 0.000 0.480 256 Q N -2.877 116.917 119.800 -0.011 0.000 2.416 256 Q HA -0.223 4.117 4.340 0.000 0.000 0.235 256 Q C -0.604 175.408 176.000 0.021 0.000 0.773 256 Q CA 1.586 57.391 55.803 0.003 0.000 1.286 256 Q CB -2.213 26.527 28.738 0.003 0.000 1.556 256 Q HN 0.807 nan 8.270 nan 0.000 0.650 257 T N -2.638 111.921 114.554 0.009 0.000 2.770 257 T HA 0.736 5.086 4.350 0.000 0.000 0.283 257 T C -0.011 174.701 174.700 0.020 0.000 0.988 257 T CA -0.256 61.854 62.100 0.017 0.000 0.957 257 T CB 1.893 70.758 68.868 -0.005 0.000 0.930 257 T HN 0.350 nan 8.240 nan 0.000 0.443 258 A N 6.024 128.891 122.820 0.078 0.000 2.798 258 A HA 0.542 4.862 4.320 0.000 0.000 0.316 258 A C 0.756 178.370 177.584 0.050 0.000 1.506 258 A CA -0.826 51.268 52.037 0.095 0.000 1.162 258 A CB -0.569 18.623 19.000 0.320 0.000 1.138 258 A HN 0.950 nan 8.150 nan 0.000 0.532 259 L N 1.396 122.603 121.223 -0.027 0.000 2.503 259 L HA 0.005 4.345 4.340 0.000 0.000 0.287 259 L C 1.064 177.921 176.870 -0.022 0.000 1.252 259 L CA 0.121 54.937 54.840 -0.040 0.000 0.835 259 L CB 0.151 42.159 42.059 -0.084 0.000 1.099 259 L HN 0.668 nan 8.230 nan 0.000 0.516 260 L N -0.654 120.558 121.223 -0.019 0.000 2.653 260 L HA 0.210 4.550 4.340 0.000 0.000 0.230 260 L C 0.336 177.207 176.870 0.001 0.000 1.055 260 L CA 0.131 54.966 54.840 -0.008 0.000 0.880 260 L CB 0.289 42.333 42.059 -0.024 0.000 1.195 260 L HN 0.573 nan 8.230 nan 0.000 0.492 261 D N 2.200 122.595 120.400 -0.009 0.000 2.524 261 D HA 0.492 5.132 4.640 0.000 0.000 0.222 261 D C -0.407 175.892 176.300 -0.003 0.000 1.142 261 D CA 0.350 54.349 54.000 -0.001 0.000 0.973 261 D CB 1.209 42.005 40.800 -0.006 0.000 1.025 261 D HN 0.129 nan 8.370 nan 0.000 0.519 262 A N 1.958 124.789 122.820 0.018 0.000 2.466 262 A HA 0.257 4.577 4.320 0.000 0.000 0.284 262 A C 0.184 177.834 177.584 0.109 0.000 1.049 262 A CA -0.674 51.383 52.037 0.033 0.000 0.760 262 A CB 1.575 20.550 19.000 -0.043 0.000 1.274 262 A HN 0.234 nan 8.150 nan 0.000 0.412 263 D N 1.602 122.066 120.400 0.107 0.000 2.388 263 D HA 0.025 4.665 4.640 0.000 0.000 0.208 263 D C -0.069 176.346 176.300 0.190 0.000 1.035 263 D CA 0.269 54.331 54.000 0.104 0.000 0.875 263 D CB 0.163 40.979 40.800 0.028 0.000 0.984 263 D HN 0.617 nan 8.370 nan 0.000 0.508 264 D N 2.702 123.244 120.400 0.237 0.000 2.667 264 D HA -0.063 4.577 4.640 0.000 0.000 0.226 264 D C -2.041 174.481 176.300 0.370 0.000 1.137 264 D CA -0.002 54.179 54.000 0.303 0.000 0.855 264 D CB 0.335 41.325 40.800 0.317 0.000 1.194 264 D HN 0.282 nan 8.370 nan 0.000 0.492 265 P HA 0.039 nan 4.420 nan 0.000 0.281 265 P C -0.157 177.097 177.300 -0.076 0.000 1.252 265 P CA -0.454 62.695 63.100 0.082 0.000 0.778 265 P CB 0.856 32.595 31.700 0.065 0.000 0.895 266 V N 2.785 122.453 119.914 -0.410 0.000 2.599 266 V HA 0.072 4.192 4.120 0.000 0.000 0.300 266 V C 1.336 177.332 176.094 -0.163 0.000 1.034 266 V CA 0.766 62.794 62.300 -0.454 0.000 1.115 266 V CB 0.210 31.694 31.823 -0.566 0.000 0.934 266 V HN 0.700 nan 8.190 nan 0.000 0.485 267 S N 2.602 118.232 115.700 -0.117 0.000 2.776 267 S HA 0.515 4.985 4.470 0.000 0.000 0.306 267 S C -0.341 174.064 174.600 -0.324 0.000 1.114 267 S CA -0.645 57.334 58.200 -0.369 0.000 0.973 267 S CB 1.626 64.392 63.200 -0.724 0.000 1.250 267 S HN 0.759 nan 8.310 nan 0.000 0.549 268 Q N 0.823 120.451 119.800 -0.287 0.000 2.288 268 Q HA 0.483 4.823 4.340 0.000 0.000 0.254 268 Q C -0.298 175.641 176.000 -0.102 0.000 0.932 268 Q CA 0.411 56.125 55.803 -0.148 0.000 0.902 268 Q CB 0.142 28.817 28.738 -0.105 0.000 1.203 268 Q HN 0.638 nan 8.270 nan 0.000 0.415 269 L N 2.910 124.131 121.223 -0.003 0.000 3.597 269 L HA -0.312 4.028 4.340 0.000 0.000 0.440 269 L C -0.741 176.236 176.870 0.179 0.000 1.277 269 L CA 0.325 55.209 54.840 0.073 0.000 0.852 269 L CB -1.802 40.320 42.059 0.104 0.000 1.708 269 L HN 0.777 nan 8.230 nan 0.000 0.885 270 H N 0.647 119.751 119.070 0.057 0.000 2.511 270 H HA 0.331 4.887 4.556 0.000 0.000 0.328 270 H C 0.295 175.689 175.328 0.111 0.000 1.044 270 H CA -1.003 55.109 56.048 0.108 0.000 1.212 270 H CB 1.138 31.010 29.762 0.185 0.000 1.428 270 H HN 0.141 nan 8.280 nan 0.000 0.483 271 K N 3.388 123.874 120.400 0.143 0.000 2.412 271 K HA 0.169 4.489 4.320 0.000 0.000 0.281 271 K C -0.597 176.075 176.600 0.120 0.000 1.027 271 K CA 0.032 56.375 56.287 0.093 0.000 0.989 271 K CB 0.208 32.727 32.500 0.031 0.000 0.935 271 K HN 0.549 nan 8.250 nan 0.000 0.475 272 C N -0.231 119.193 119.300 0.207 0.000 3.171 272 C HA 0.781 5.241 4.460 0.000 0.000 0.336 272 C C -0.442 174.745 174.990 0.327 0.000 1.198 272 C CA -1.293 57.873 59.018 0.246 0.000 1.319 272 C CB 0.690 28.695 27.740 0.441 0.000 1.682 272 C HN 0.826 nan 8.230 nan 0.000 0.497 273 A N 1.206 124.133 122.820 0.178 0.000 2.306 273 A HA 0.895 5.215 4.320 0.000 0.000 0.330 273 A C -1.228 176.476 177.584 0.199 0.000 1.146 273 A CA -0.320 51.794 52.037 0.128 0.000 0.827 273 A CB 0.477 19.326 19.000 -0.251 0.000 1.178 273 A HN 0.831 nan 8.150 nan 0.000 0.490 274 F N 1.468 121.334 119.950 -0.141 0.000 2.347 274 F HA 0.341 4.868 4.527 0.000 0.000 0.366 274 F C -0.253 175.502 175.800 -0.075 0.000 1.107 274 F CA -0.738 57.222 58.000 -0.066 0.000 1.058 274 F CB 0.900 39.910 39.000 0.017 0.000 1.236 274 F HN 0.579 nan 8.300 nan 0.000 0.456 275 Y N 4.366 124.616 120.300 -0.083 0.000 2.304 275 Y HA 0.417 4.967 4.550 0.000 0.000 0.327 275 Y C -0.378 175.617 175.900 0.159 0.000 1.209 275 Y CA -0.868 57.333 58.100 0.169 0.000 1.299 275 Y CB 0.626 39.231 38.460 0.242 0.000 1.249 275 Y HN 0.346 nan 8.280 nan 0.000 0.519 276 L N 4.421 125.475 121.223 -0.281 0.000 2.600 276 L HA 0.187 4.527 4.340 0.000 0.000 0.221 276 L C 0.654 177.123 176.870 -0.668 0.000 1.197 276 L CA -0.524 54.089 54.840 -0.378 0.000 0.838 276 L CB 0.343 42.325 42.059 -0.128 0.000 1.474 276 L HN 0.698 nan 8.230 nan 0.000 0.514 277 K N 0.179 120.371 120.400 -0.348 0.000 2.686 277 K HA 0.005 4.325 4.320 0.000 0.000 0.244 277 K C -0.663 175.801 176.600 -0.226 0.000 1.262 277 K CA -0.107 56.022 56.287 -0.263 0.000 1.199 277 K CB -0.662 31.744 32.500 -0.156 0.000 1.428 277 K HN 0.332 nan 8.250 nan 0.000 0.247 278 D N 0.897 121.093 120.400 -0.340 0.000 2.733 278 D HA -0.174 4.466 4.640 0.000 0.000 0.232 278 D C 0.250 176.557 176.300 0.012 0.000 1.161 278 D CA 1.440 55.410 54.000 -0.050 0.000 0.653 278 D CB -1.181 39.630 40.800 0.018 0.000 1.052 278 D HN 0.572 nan 8.370 nan 0.000 0.424 279 T N -1.402 113.140 114.554 -0.021 0.000 2.746 279 T HA -0.150 4.200 4.350 0.000 0.000 0.267 279 T C 1.413 176.152 174.700 0.065 0.000 1.039 279 T CA 1.465 63.575 62.100 0.018 0.000 1.142 279 T CB 0.574 69.451 68.868 0.016 0.000 0.866 279 T HN 0.267 nan 8.240 nan 0.000 0.444 280 E N -1.231 119.057 120.200 0.146 0.000 2.793 280 E HA 0.073 4.423 4.350 0.000 0.000 0.289 280 E C 0.380 177.086 176.600 0.177 0.000 1.106 280 E CA 0.090 56.561 56.400 0.118 0.000 2.106 280 E CB 0.324 30.047 29.700 0.038 0.000 2.139 280 E HN 0.297 nan 8.360 nan 0.000 1.086 281 R N 1.001 121.576 120.500 0.125 0.000 2.486 281 R HA 0.359 4.700 4.340 0.000 0.000 0.388 281 R C 0.001 176.257 176.300 -0.074 0.000 0.810 281 R CA -0.067 55.997 56.100 -0.061 0.000 1.057 281 R CB -0.818 29.342 30.300 -0.233 0.000 1.670 281 R HN 0.159 nan 8.270 nan 0.000 0.551 282 M N 1.575 121.275 119.600 0.167 0.000 2.238 282 M HA 0.285 4.765 4.480 0.000 0.000 0.347 282 M C -0.552 176.012 176.300 0.441 0.000 1.173 282 M CA 0.209 55.601 55.300 0.154 0.000 1.147 282 M CB 0.395 33.076 32.600 0.135 0.000 1.547 282 M HN -0.107 nan 8.290 nan 0.000 0.455 283 Y N 1.207 121.693 120.300 0.310 0.000 2.833 283 Y HA 0.656 5.206 4.550 0.000 0.000 0.323 283 Y C -0.485 175.576 175.900 0.269 0.000 1.220 283 Y CA -1.658 56.639 58.100 0.330 0.000 1.174 283 Y CB 0.854 39.517 38.460 0.339 0.000 1.404 283 Y HN 0.499 nan 8.280 nan 0.000 0.607 284 L N 1.662 123.144 121.223 0.430 0.000 2.319 284 L HA 0.609 4.949 4.340 0.000 0.000 0.281 284 L C -1.117 175.921 176.870 0.281 0.000 1.005 284 L CA -0.153 54.876 54.840 0.315 0.000 0.828 284 L CB 0.769 42.998 42.059 0.283 0.000 1.227 284 L HN 0.696 nan 8.230 nan 0.000 0.415 285 C N 5.121 124.510 119.300 0.148 0.000 2.971 285 C HA 0.597 5.057 4.460 0.000 0.000 0.310 285 C C -1.041 173.892 174.990 -0.095 0.000 1.285 285 C CA -0.853 58.095 59.018 -0.117 0.000 1.593 285 C CB 1.962 29.522 27.740 -0.301 0.000 2.076 285 C HN 0.863 nan 8.230 nan 0.000 0.472 286 L N 3.117 124.152 121.223 -0.312 0.000 2.325 286 L HA 0.514 4.854 4.340 0.000 0.000 0.281 286 L C 0.121 176.891 176.870 -0.165 0.000 1.004 286 L CA 0.174 54.905 54.840 -0.182 0.000 0.823 286 L CB 1.707 43.570 42.059 -0.326 0.000 1.236 286 L HN 0.786 nan 8.230 nan 0.000 0.415 287 S N 3.562 119.222 115.700 -0.065 0.000 3.208 287 S HA 0.167 4.637 4.470 0.000 0.000 0.195 287 S C 0.446 175.031 174.600 -0.025 0.000 1.394 287 S CA -0.391 57.775 58.200 -0.057 0.000 1.127 287 S CB -0.254 62.936 63.200 -0.017 0.000 1.282 287 S HN 0.802 nan 8.310 nan 0.000 0.513 288 Q N 0.706 120.481 119.800 -0.042 0.000 2.363 288 Q HA -0.230 4.110 4.340 0.000 0.000 0.253 288 Q C 0.645 176.655 176.000 0.016 0.000 1.031 288 Q CA 1.971 57.763 55.803 -0.017 0.000 1.048 288 Q CB -0.724 28.001 28.738 -0.022 0.000 1.545 288 Q HN 0.649 nan 8.270 nan 0.000 0.546 289 E N -2.066 118.157 120.200 0.039 0.000 3.550 289 E HA 0.312 4.663 4.350 0.000 0.000 0.239 289 E C 0.091 176.758 176.600 0.111 0.000 1.244 289 E CA -0.123 56.317 56.400 0.067 0.000 1.475 289 E CB 0.626 30.361 29.700 0.059 0.000 2.582 289 E HN 0.013 nan 8.360 nan 0.000 0.716 290 R N 0.539 121.112 120.500 0.120 0.000 3.018 290 R HA 0.597 4.937 4.340 0.000 0.000 0.243 290 R C 0.012 176.408 176.300 0.161 0.000 1.315 290 R CA -0.852 55.351 56.100 0.171 0.000 1.039 290 R CB 0.319 30.725 30.300 0.177 0.000 1.315 290 R HN 0.142 nan 8.270 nan 0.000 0.492 291 I N 2.316 123.000 120.570 0.189 0.000 2.312 291 I HA 0.358 4.528 4.170 0.000 0.000 0.291 291 I C 0.101 176.293 176.117 0.125 0.000 1.031 291 I CA 0.043 61.451 61.300 0.180 0.000 1.293 291 I CB 0.412 38.539 38.000 0.211 0.000 1.403 291 I HN 0.187 nan 8.210 nan 0.000 0.484 292 I N 4.882 125.519 120.570 0.111 0.000 2.969 292 I HA 0.244 4.414 4.170 0.000 0.000 0.307 292 I C 0.008 176.204 176.117 0.132 0.000 1.149 292 I CA -1.046 60.316 61.300 0.103 0.000 1.008 292 I CB 2.009 40.066 38.000 0.095 0.000 1.232 292 I HN 0.493 nan 8.210 nan 0.000 0.435 293 Q N 1.911 121.791 119.800 0.133 0.000 2.730 293 Q HA 0.177 4.517 4.340 0.000 0.000 0.255 293 Q C -1.020 175.160 176.000 0.299 0.000 1.155 293 Q CA 0.816 56.722 55.803 0.171 0.000 1.035 293 Q CB 0.719 29.525 28.738 0.114 0.000 1.335 293 Q HN 0.444 nan 8.270 nan 0.000 0.556 294 F N -1.472 118.517 119.950 0.065 0.000 2.978 294 F HA 0.113 4.641 4.527 0.000 0.000 0.324 294 F C -0.041 175.770 175.800 0.018 0.000 1.157 294 F CA -0.344 57.685 58.000 0.048 0.000 0.879 294 F CB 0.916 39.962 39.000 0.076 0.000 1.364 294 F HN 0.534 nan 8.300 nan 0.000 0.465 295 Q N 1.671 120.942 119.800 -0.881 0.000 2.181 295 Q HA 0.470 4.810 4.340 0.000 0.000 0.244 295 Q C -0.389 175.222 176.000 -0.648 0.000 0.745 295 Q CA 0.637 56.090 55.803 -0.583 0.000 0.934 295 Q CB 1.316 29.783 28.738 -0.451 0.000 1.220 295 Q HN 1.437 nan 8.270 nan 0.000 0.478 296 A N 1.163 123.372 122.820 -1.019 0.000 2.165 296 A HA -0.191 4.129 4.320 0.000 0.000 0.272 296 A C 0.675 178.089 177.584 -0.284 0.000 1.398 296 A CA 0.744 52.580 52.037 -0.335 0.000 0.726 296 A CB -2.163 16.730 19.000 -0.178 0.000 1.179 296 A HN 0.500 nan 8.150 nan 0.000 0.327 297 T N 1.503 115.895 114.554 -0.270 0.000 2.544 297 T HA -0.075 4.275 4.350 0.000 0.000 0.264 297 T C -0.730 173.903 174.700 -0.111 0.000 1.096 297 T CA 1.839 63.834 62.100 -0.174 0.000 1.181 297 T CB -1.288 67.504 68.868 -0.126 0.000 0.864 297 T HN 0.745 nan 8.240 nan 0.000 0.415 298 P HA 0.041 nan 4.420 nan 0.000 0.263 298 P C -0.246 177.019 177.300 -0.058 0.000 1.168 298 P CA 0.227 63.301 63.100 -0.044 0.000 0.759 298 P CB 0.232 31.924 31.700 -0.014 0.000 0.782 299 C N 2.211 121.480 119.300 -0.052 0.000 4.130 299 C HA 0.097 4.557 4.460 0.000 0.000 0.542 299 C C -1.909 173.057 174.990 -0.041 0.000 1.142 299 C CA 0.129 59.113 59.018 -0.056 0.000 2.532 299 C CB -0.875 26.822 27.740 -0.072 0.000 3.521 299 C HN 0.494 nan 8.230 nan 0.000 0.430 300 P HA 0.057 nan 4.420 nan 0.000 0.240 300 P C 0.119 177.405 177.300 -0.023 0.000 1.594 300 P CA 1.555 64.638 63.100 -0.029 0.000 1.184 300 P CB 0.091 31.775 31.700 -0.027 0.000 1.915 301 K N 0.825 121.211 120.400 -0.023 0.000 2.585 301 K HA 0.199 4.519 4.320 0.000 0.000 0.210 301 K C 0.069 176.657 176.600 -0.019 0.000 1.504 301 K CA 0.595 56.871 56.287 -0.019 0.000 1.029 301 K CB 1.436 33.926 32.500 -0.018 0.000 1.332 301 K HN 0.314 nan 8.250 nan 0.000 0.569 302 E N -0.858 119.329 120.200 -0.022 0.000 2.374 302 E HA 0.085 4.435 4.350 0.000 0.000 0.281 302 E C -2.690 173.894 176.600 -0.027 0.000 1.170 302 E CA -0.877 55.510 56.400 -0.022 0.000 0.919 302 E CB 1.466 31.154 29.700 -0.020 0.000 1.218 302 E HN -0.267 nan 8.360 nan 0.000 0.425 303 P HA -0.018 nan 4.420 nan 0.000 0.239 303 P C -0.254 177.027 177.300 -0.032 0.000 1.184 303 P CA 0.921 64.004 63.100 -0.030 0.000 0.760 303 P CB -0.152 31.534 31.700 -0.024 0.000 0.884 304 N N -1.147 117.536 118.700 -0.028 0.000 2.646 304 N HA 0.223 4.964 4.740 0.000 0.000 0.303 304 N C -0.255 175.240 175.510 -0.026 0.000 1.921 304 N CA -0.519 52.515 53.050 -0.027 0.000 0.872 304 N CB 0.230 38.705 38.487 -0.021 0.000 1.327 304 N HN -0.219 nan 8.380 nan 0.000 0.492 305 K N 0.478 120.862 120.400 -0.027 0.000 3.438 305 K HA 0.090 4.410 4.320 0.000 0.000 0.171 305 K C -1.224 175.366 176.600 -0.016 0.000 1.154 305 K CA -0.279 55.995 56.287 -0.020 0.000 0.728 305 K CB 0.144 32.632 32.500 -0.021 0.000 0.956 305 K HN 0.258 nan 8.250 nan 0.000 0.529 306 E N 2.667 122.857 120.200 -0.016 0.000 2.383 306 E HA -0.001 4.349 4.350 0.000 0.000 0.257 306 E C -0.029 176.582 176.600 0.018 0.000 1.079 306 E CA 0.430 56.815 56.400 -0.025 0.000 0.934 306 E CB 0.522 30.181 29.700 -0.068 0.000 0.978 306 E HN 0.360 nan 8.360 nan 0.000 0.462 307 M N 2.928 122.532 119.600 0.008 0.000 2.248 307 M HA 0.164 4.644 4.480 0.000 0.000 0.337 307 M C -0.044 176.302 176.300 0.075 0.000 1.121 307 M CA 0.066 55.386 55.300 0.035 0.000 1.155 307 M CB 0.384 32.995 32.600 0.018 0.000 1.514 307 M HN 0.470 nan 8.290 nan 0.000 0.452 308 I N 2.156 122.796 120.570 0.117 0.000 2.828 308 I HA 0.330 4.500 4.170 0.000 0.000 0.302 308 I C -0.648 175.551 176.117 0.136 0.000 1.101 308 I CA -0.652 60.768 61.300 0.200 0.000 1.031 308 I CB 1.910 40.086 38.000 0.294 0.000 1.231 308 I HN 0.626 nan 8.210 nan 0.000 0.427 309 N N 4.885 123.682 118.700 0.162 0.000 2.458 309 N HA 0.052 4.792 4.740 0.000 0.000 0.270 309 N C -0.986 174.432 175.510 -0.153 0.000 1.102 309 N CA -0.160 52.890 53.050 -0.001 0.000 0.967 309 N CB 0.511 39.000 38.487 0.004 0.000 1.078 309 N HN 0.514 nan 8.380 nan 0.000 0.471 310 D N 3.247 123.582 120.400 -0.109 0.000 2.518 310 D HA 0.054 4.694 4.640 0.000 0.000 0.270 310 D C 0.946 177.114 176.300 -0.221 0.000 1.338 310 D CA 0.853 54.769 54.000 -0.140 0.000 0.983 310 D CB 0.216 40.960 40.800 -0.094 0.000 1.126 310 D HN 0.839 nan 8.370 nan 0.000 0.543 311 G N 1.059 109.678 108.800 -0.302 0.000 4.106 311 G HA2 0.108 4.068 3.960 0.000 0.000 0.220 311 G HA3 0.108 4.068 3.960 0.000 0.000 0.220 311 G C 0.439 174.988 174.900 -0.585 0.000 0.853 311 G CA 0.176 45.036 45.100 -0.399 0.000 0.920 311 G HN 0.614 nan 8.290 nan 0.000 0.715 312 A N 0.546 123.051 122.820 -0.526 0.000 2.661 312 A HA 0.611 4.931 4.320 0.000 0.000 0.278 312 A C 1.105 178.408 177.584 -0.469 0.000 1.090 312 A CA 1.151 52.826 52.037 -0.603 0.000 0.969 312 A CB -0.062 18.801 19.000 -0.228 0.000 1.240 312 A HN 1.281 nan 8.150 nan 0.000 0.578 313 S N 0.148 115.621 115.700 -0.377 0.000 3.700 313 S HA 0.366 4.836 4.470 0.000 0.000 0.192 313 S C -0.221 174.315 174.600 -0.106 0.000 1.430 313 S CA -0.761 57.349 58.200 -0.151 0.000 0.999 313 S CB -1.077 62.066 63.200 -0.095 0.000 1.411 313 S HN 0.363 nan 8.310 nan 0.000 0.491 314 W N 1.722 122.984 121.300 -0.064 0.000 2.042 314 W HA 0.341 5.001 4.660 0.000 0.000 0.358 314 W C 0.725 177.143 176.519 -0.167 0.000 1.325 314 W CA -0.457 56.807 57.345 -0.136 0.000 1.311 314 W CB 0.239 29.573 29.460 -0.209 0.000 1.210 314 W HN 0.187 nan 8.180 nan 0.000 0.620 315 T N 2.934 117.435 114.554 -0.088 0.000 2.807 315 T HA 0.363 4.713 4.350 0.000 0.000 0.279 315 T C -0.729 173.772 174.700 -0.331 0.000 0.993 315 T CA -0.605 61.283 62.100 -0.354 0.000 0.970 315 T CB 0.881 69.168 68.868 -0.969 0.000 0.950 315 T HN 0.090 nan 8.240 nan 0.000 0.441 316 I N 4.456 124.969 120.570 -0.095 0.000 2.359 316 I HA 0.527 4.697 4.170 0.000 0.000 0.294 316 I C -0.841 175.249 176.117 -0.046 0.000 0.987 316 I CA -0.958 60.327 61.300 -0.025 0.000 1.225 316 I CB 1.257 39.320 38.000 0.105 0.000 1.366 316 I HN 0.487 nan 8.210 nan 0.000 0.466 317 I N 5.741 126.286 120.570 -0.042 0.000 2.644 317 I HA 0.215 4.385 4.170 0.000 0.000 0.291 317 I C -0.252 175.836 176.117 -0.048 0.000 1.180 317 I CA -0.260 61.023 61.300 -0.028 0.000 1.040 317 I CB 2.239 40.256 38.000 0.029 0.000 1.255 317 I HN 0.415 nan 8.210 nan 0.000 0.422 318 S N 3.827 119.489 115.700 -0.062 0.000 2.580 318 S HA 0.613 5.083 4.470 0.000 0.000 0.274 318 S C -0.082 174.462 174.600 -0.093 0.000 1.329 318 S CA 0.052 58.208 58.200 -0.073 0.000 1.036 318 S CB 0.635 63.782 63.200 -0.088 0.000 0.919 318 S HN 0.679 nan 8.310 nan 0.000 0.515 319 T N 2.798 117.302 114.554 -0.084 0.000 2.893 319 T HA 0.468 4.818 4.350 0.000 0.000 0.291 319 T C -0.991 173.635 174.700 -0.123 0.000 1.028 319 T CA -0.657 61.387 62.100 -0.094 0.000 0.995 319 T CB 1.548 70.419 68.868 0.004 0.000 1.051 319 T HN 0.582 nan 8.240 nan 0.000 0.470 320 D N 0.887 121.149 120.400 -0.230 0.000 2.687 320 D HA 0.539 5.179 4.640 0.000 0.000 0.264 320 D C -1.077 175.143 176.300 -0.133 0.000 1.091 320 D CA -0.552 53.322 54.000 -0.209 0.000 1.123 320 D CB 1.971 42.614 40.800 -0.263 0.000 1.407 320 D HN 0.487 nan 8.370 nan 0.000 0.591 321 K N 0.424 120.811 120.400 -0.023 0.000 2.588 321 K HA 0.632 4.952 4.320 0.000 0.000 0.250 321 K C -1.882 174.772 176.600 0.090 0.000 0.972 321 K CA -0.661 55.668 56.287 0.070 0.000 0.821 321 K CB 1.433 33.930 32.500 -0.005 0.000 1.249 321 K HN 0.325 nan 8.250 nan 0.000 0.442 322 A N 3.429 126.351 122.820 0.170 0.000 2.301 322 A HA 0.463 4.783 4.320 0.000 0.000 0.312 322 A C -0.887 176.706 177.584 0.016 0.000 1.182 322 A CA -0.424 51.660 52.037 0.078 0.000 0.826 322 A CB 0.935 20.068 19.000 0.222 0.000 1.134 322 A HN 0.819 nan 8.150 nan 0.000 0.501 323 E N 2.043 122.115 120.200 -0.214 0.000 2.281 323 E HA 0.514 4.864 4.350 0.000 0.000 0.266 323 E C -2.068 174.420 176.600 -0.186 0.000 0.893 323 E CA -0.361 55.988 56.400 -0.085 0.000 0.798 323 E CB 1.059 30.740 29.700 -0.033 0.000 1.245 323 E HN 0.607 nan 8.360 nan 0.000 0.410 324 Y N 1.120 121.527 120.300 0.179 0.000 2.485 324 Y HA 0.562 5.112 4.550 0.000 0.000 0.345 324 Y C 0.291 176.339 175.900 0.247 0.000 0.998 324 Y CA -0.856 57.416 58.100 0.286 0.000 1.059 324 Y CB 2.324 41.089 38.460 0.508 0.000 1.234 324 Y HN 0.414 nan 8.280 nan 0.000 0.461 325 T N 2.135 116.957 114.554 0.446 0.000 3.032 325 T HA 0.775 5.125 4.350 0.000 0.000 0.312 325 T C -1.255 173.620 174.700 0.292 0.000 1.078 325 T CA -0.599 61.621 62.100 0.199 0.000 1.028 325 T CB 0.350 69.259 68.868 0.068 0.000 1.091 325 T HN 0.585 nan 8.240 nan 0.000 0.457 326 F N 1.775 121.747 119.950 0.036 0.000 2.790 326 F HA 0.937 5.464 4.527 0.000 0.000 0.337 326 F C -1.684 174.061 175.800 -0.092 0.000 1.163 326 F CA -1.696 56.236 58.000 -0.114 0.000 0.997 326 F CB 1.217 40.100 39.000 -0.194 0.000 1.437 326 F HN 0.697 nan 8.300 nan 0.000 0.512 327 Y N 0.195 120.426 120.300 -0.114 0.000 2.474 327 Y HA 0.297 4.847 4.550 0.000 0.000 0.326 327 Y C -0.657 175.142 175.900 -0.168 0.000 1.160 327 Y CA -1.193 56.791 58.100 -0.193 0.000 1.056 327 Y CB 1.935 40.195 38.460 -0.334 0.000 1.330 327 Y HN 0.752 nan 8.280 nan 0.000 0.447 328 E N 3.765 123.530 120.200 -0.724 0.000 2.330 328 E HA 0.096 4.446 4.350 0.000 0.000 0.210 328 E C 1.444 177.733 176.600 -0.519 0.000 1.256 328 E CA 0.430 56.533 56.400 -0.495 0.000 1.346 328 E CB 0.066 29.564 29.700 -0.337 0.000 1.308 328 E HN 1.011 nan 8.360 nan 0.000 0.441 329 G N 1.444 109.969 108.800 -0.458 0.000 3.215 329 G HA2 -0.265 3.695 3.960 0.000 0.000 0.224 329 G HA3 -0.265 3.695 3.960 0.000 0.000 0.224 329 G C 1.104 175.940 174.900 -0.108 0.000 1.063 329 G CA 0.848 45.863 45.100 -0.142 0.000 0.687 329 G HN 0.238 nan 8.290 nan 0.000 0.663 330 M N 0.128 119.649 119.600 -0.132 0.000 3.017 330 M HA 0.342 4.822 4.480 0.000 0.000 0.423 330 M C 0.835 177.084 176.300 -0.084 0.000 1.395 330 M CA 0.141 55.394 55.300 -0.078 0.000 0.816 330 M CB 0.123 32.692 32.600 -0.052 0.000 1.440 330 M HN 0.459 nan 8.290 nan 0.000 0.506 331 G N 2.056 110.783 108.800 -0.122 0.000 2.782 331 G HA2 -0.146 3.814 3.960 0.000 0.000 0.228 331 G HA3 -0.146 3.814 3.960 0.000 0.000 0.228 331 G C -2.948 171.897 174.900 -0.092 0.000 1.372 331 G CA -1.263 43.774 45.100 -0.105 0.000 0.862 331 G HN 0.222 nan 8.290 nan 0.000 0.547 332 P HA 0.314 nan 4.420 nan 0.000 0.268 332 P C 0.262 177.540 177.300 -0.036 0.000 1.189 332 P CA 0.706 63.784 63.100 -0.037 0.000 0.771 332 P CB 0.548 32.234 31.700 -0.024 0.000 0.822 333 V N 0.271 120.169 119.914 -0.026 0.000 2.841 333 V HA 0.298 4.418 4.120 0.000 0.000 0.310 333 V C 1.168 177.249 176.094 -0.022 0.000 1.090 333 V CA -0.807 61.474 62.300 -0.032 0.000 0.930 333 V CB 1.586 33.378 31.823 -0.050 0.000 1.014 333 V HN 0.381 nan 8.190 nan 0.000 0.425 334 L N 1.828 123.037 121.223 -0.023 0.000 2.079 334 L HA 0.060 4.400 4.340 0.000 0.000 0.210 334 L C 1.620 178.473 176.870 -0.028 0.000 1.081 334 L CA 2.268 57.095 54.840 -0.022 0.000 0.752 334 L CB -0.506 41.539 42.059 -0.023 0.000 0.896 334 L HN 0.939 nan 8.230 nan 0.000 0.433 335 A N -0.720 122.078 122.820 -0.038 0.000 2.247 335 A HA 0.623 4.944 4.320 0.000 0.000 0.313 335 A C -2.335 175.207 177.584 -0.070 0.000 1.109 335 A CA -1.218 50.788 52.037 -0.052 0.000 0.890 335 A CB -0.016 18.953 19.000 -0.052 0.000 1.239 335 A HN -0.080 nan 8.150 nan 0.000 0.506 336 P HA 0.330 nan 4.420 nan 0.000 0.278 336 P C 0.712 177.895 177.300 -0.194 0.000 1.258 336 P CA -0.351 62.658 63.100 -0.152 0.000 0.811 336 P CB 0.916 32.512 31.700 -0.173 0.000 1.063 337 V N -2.633 117.088 119.914 -0.322 0.000 3.406 337 V HA 0.040 4.160 4.120 0.000 0.000 0.263 337 V C 0.827 176.780 176.094 -0.235 0.000 1.172 337 V CA 0.921 63.008 62.300 -0.355 0.000 1.140 337 V CB -1.211 30.119 31.823 -0.822 0.000 0.784 337 V HN 0.392 nan 8.190 nan 0.000 0.467 338 T N 3.720 118.042 114.554 -0.387 0.000 2.913 338 T HA 0.359 4.709 4.350 0.000 0.000 0.297 338 T C -2.185 172.388 174.700 -0.211 0.000 1.029 338 T CA -0.490 61.361 62.100 -0.415 0.000 1.104 338 T CB 1.176 69.635 68.868 -0.681 0.000 0.964 338 T HN 0.472 nan 8.240 nan 0.000 0.532 339 P HA 0.326 nan 4.420 nan 0.000 0.285 339 P C -1.078 176.196 177.300 -0.044 0.000 1.259 339 P CA -0.448 62.588 63.100 -0.107 0.000 0.794 339 P CB 0.789 32.457 31.700 -0.052 0.000 0.940 340 V N 4.575 124.537 119.914 0.079 0.000 2.509 340 V HA 0.282 4.402 4.120 0.000 0.000 0.284 340 V C -2.173 173.965 176.094 0.072 0.000 1.047 340 V CA -2.044 60.344 62.300 0.147 0.000 0.952 340 V CB 0.821 32.972 31.823 0.547 0.000 0.988 340 V HN 0.505 nan 8.190 nan 0.000 0.469 341 P HA 0.284 nan 4.420 nan 0.000 0.287 341 P C -0.562 176.807 177.300 0.113 0.000 1.307 341 P CA -0.169 62.912 63.100 -0.031 0.000 0.777 341 P CB 0.926 32.425 31.700 -0.334 0.000 0.883 342 V N 2.315 122.366 119.914 0.227 0.000 2.439 342 V HA 0.482 4.602 4.120 0.000 0.000 0.282 342 V C -0.161 176.103 176.094 0.283 0.000 1.039 342 V CA -0.633 61.777 62.300 0.182 0.000 0.913 342 V CB 1.810 33.697 31.823 0.106 0.000 0.983 342 V HN 0.139 nan 8.190 nan 0.000 0.460 343 V N 5.407 125.443 119.914 0.204 0.000 2.266 343 V HA 0.323 4.444 4.120 0.000 0.000 0.271 343 V C 0.973 177.156 176.094 0.148 0.000 1.032 343 V CA -0.092 62.355 62.300 0.245 0.000 0.806 343 V CB 0.503 32.422 31.823 0.160 0.000 1.052 343 V HN 1.085 nan 8.190 nan 0.000 0.449 344 E N 1.998 122.271 120.200 0.122 0.000 2.072 344 E HA -0.034 4.317 4.350 0.000 0.000 0.190 344 E C 0.868 177.506 176.600 0.062 0.000 0.982 344 E CA 0.746 57.185 56.400 0.067 0.000 0.803 344 E CB 0.263 29.981 29.700 0.030 0.000 0.755 344 E HN 0.509 nan 8.360 nan 0.000 0.453 345 S N -0.124 115.620 115.700 0.074 0.000 2.536 345 S HA 0.502 4.972 4.470 0.000 0.000 0.287 345 S C -1.419 173.233 174.600 0.087 0.000 1.101 345 S CA -0.784 57.455 58.200 0.065 0.000 0.950 345 S CB 1.192 64.417 63.200 0.042 0.000 1.056 345 S HN 0.194 nan 8.310 nan 0.000 0.481 346 L N 4.744 126.017 121.223 0.084 0.000 2.454 346 L HA 0.508 4.848 4.340 0.000 0.000 0.258 346 L C -0.940 175.991 176.870 0.102 0.000 1.025 346 L CA -0.324 54.576 54.840 0.100 0.000 0.901 346 L CB 1.070 43.193 42.059 0.107 0.000 1.210 346 L HN 0.728 nan 8.230 nan 0.000 0.457 347 Q N 3.098 122.953 119.800 0.092 0.000 2.222 347 Q HA 0.469 4.809 4.340 0.000 0.000 0.252 347 Q C -0.807 175.256 176.000 0.104 0.000 0.926 347 Q CA -0.591 55.264 55.803 0.086 0.000 0.899 347 Q CB 3.100 31.874 28.738 0.061 0.000 1.250 347 Q HN 0.587 nan 8.270 nan 0.000 0.441 348 L N 1.810 123.099 121.223 0.109 0.000 2.399 348 L HA 0.330 4.670 4.340 0.000 0.000 0.266 348 L C -0.544 176.372 176.870 0.078 0.000 1.114 348 L CA -0.185 54.729 54.840 0.123 0.000 0.804 348 L CB 0.804 42.949 42.059 0.144 0.000 1.146 348 L HN 0.726 nan 8.230 nan 0.000 0.451 349 N N 3.100 121.839 118.700 0.065 0.000 2.716 349 N HA 0.440 5.180 4.740 0.000 0.000 0.253 349 N C -0.297 175.235 175.510 0.036 0.000 1.170 349 N CA 0.077 53.153 53.050 0.044 0.000 0.807 349 N CB 1.367 39.875 38.487 0.036 0.000 1.183 349 N HN 0.875 nan 8.380 nan 0.000 0.524 350 G N 0.743 109.564 108.800 0.036 0.000 2.582 350 G HA2 0.125 4.085 3.960 0.000 0.000 0.222 350 G HA3 0.125 4.085 3.960 0.000 0.000 0.222 350 G C -0.530 174.393 174.900 0.038 0.000 1.311 350 G CA -0.551 44.567 45.100 0.030 0.000 0.915 350 G HN 0.713 nan 8.290 nan 0.000 0.528 351 G N -2.539 106.282 108.800 0.035 0.000 2.649 351 G HA2 0.865 4.825 3.960 0.000 0.000 0.290 351 G HA3 0.865 4.825 3.960 0.000 0.000 0.290 351 G C 0.983 175.911 174.900 0.047 0.000 1.426 351 G CA 1.322 46.448 45.100 0.044 0.000 0.794 351 G HN 2.721 nan 8.290 nan 0.000 0.483 352 G N 0.444 109.283 108.800 0.064 0.000 2.583 352 G HA2 -0.327 3.633 3.960 0.000 0.000 0.292 352 G HA3 -0.327 3.633 3.960 0.000 0.000 0.292 352 G C 0.927 175.871 174.900 0.073 0.000 1.203 352 G CA 0.925 46.073 45.100 0.080 0.000 0.987 352 G HN 0.913 nan 8.290 nan 0.000 0.554 353 D N 0.224 120.663 120.400 0.066 0.000 2.357 353 D HA -0.030 4.610 4.640 0.000 0.000 0.216 353 D C 2.069 178.391 176.300 0.036 0.000 0.973 353 D CA 1.762 55.795 54.000 0.055 0.000 0.912 353 D CB 0.015 40.843 40.800 0.047 0.000 0.900 353 D HN 0.321 nan 8.370 nan 0.000 0.501 354 V N -0.152 119.779 119.914 0.030 0.000 3.398 354 V HA 0.217 4.337 4.120 0.000 0.000 0.298 354 V C 0.808 176.906 176.094 0.008 0.000 1.496 354 V CA -0.186 62.124 62.300 0.017 0.000 1.044 354 V CB 0.281 32.114 31.823 0.017 0.000 0.880 354 V HN 0.095 nan 8.190 nan 0.000 0.443 355 A N 1.451 124.277 122.820 0.010 0.000 2.622 355 A HA 0.194 4.514 4.320 0.000 0.000 0.235 355 A C -0.056 177.509 177.584 -0.031 0.000 1.013 355 A CA 1.374 53.410 52.037 -0.002 0.000 0.765 355 A CB -0.114 18.881 19.000 -0.007 0.000 0.921 355 A HN 0.490 nan 8.150 nan 0.000 0.506 356 M N 0.657 120.250 119.600 -0.012 0.000 2.664 356 M HA 0.605 5.085 4.480 0.000 0.000 0.279 356 M C -1.559 174.751 176.300 0.016 0.000 1.275 356 M CA -0.702 54.594 55.300 -0.008 0.000 0.829 356 M CB 2.084 34.690 32.600 0.010 0.000 1.727 356 M HN 0.528 nan 8.290 nan 0.000 0.459 357 L N 1.105 122.352 121.223 0.041 0.000 2.409 357 L HA 0.427 4.767 4.340 0.000 0.000 0.272 357 L C -0.805 176.110 176.870 0.074 0.000 0.980 357 L CA -0.076 54.806 54.840 0.071 0.000 0.826 357 L CB 2.010 44.130 42.059 0.101 0.000 1.268 357 L HN 0.596 nan 8.230 nan 0.000 0.407 358 E N 3.459 123.704 120.200 0.075 0.000 2.174 358 E HA 0.537 4.887 4.350 0.000 0.000 0.282 358 E C -1.526 175.133 176.600 0.098 0.000 0.992 358 E CA -0.659 55.786 56.400 0.074 0.000 0.803 358 E CB 1.124 30.856 29.700 0.053 0.000 1.090 358 E HN 0.443 nan 8.360 nan 0.000 0.396 359 L N 3.551 124.856 121.223 0.137 0.000 2.329 359 L HA 0.440 4.780 4.340 0.000 0.000 0.279 359 L C -0.350 176.672 176.870 0.253 0.000 1.014 359 L CA -0.256 54.708 54.840 0.206 0.000 0.814 359 L CB 2.128 44.330 42.059 0.239 0.000 1.257 359 L HN 0.610 nan 8.230 nan 0.000 0.424 360 T N -0.271 114.388 114.554 0.175 0.000 2.876 360 T HA 0.965 5.315 4.350 0.000 0.000 0.289 360 T C -0.099 174.588 174.700 -0.021 0.000 1.014 360 T CA -0.294 61.803 62.100 -0.005 0.000 0.986 360 T CB 2.134 70.979 68.868 -0.038 0.000 1.021 360 T HN 0.838 nan 8.240 nan 0.000 0.458 361 G N 1.216 109.794 108.800 -0.370 0.000 2.512 361 G HA2 0.532 4.492 3.960 0.000 0.000 0.186 361 G HA3 0.532 4.492 3.960 0.000 0.000 0.186 361 G C -2.083 172.557 174.900 -0.432 0.000 1.189 361 G CA -0.818 44.152 45.100 -0.218 0.000 0.994 361 G HN 0.817 nan 8.290 nan 0.000 0.506 362 Q N -0.071 119.598 119.800 -0.219 0.000 2.456 362 Q HA 0.474 4.814 4.340 0.000 0.000 0.283 362 Q C -0.746 175.293 176.000 0.065 0.000 1.084 362 Q CA -1.097 54.618 55.803 -0.148 0.000 0.801 362 Q CB 2.126 30.852 28.738 -0.021 0.000 1.434 362 Q HN 0.515 nan 8.270 nan 0.000 0.419 363 N N 0.315 119.051 118.700 0.061 0.000 2.725 363 N HA -0.177 4.563 4.740 0.000 0.000 0.249 363 N C -1.036 174.671 175.510 0.327 0.000 1.103 363 N CA 0.987 54.132 53.050 0.158 0.000 0.707 363 N CB -1.333 37.236 38.487 0.136 0.000 1.043 363 N HN 0.516 nan 8.380 nan 0.000 0.553 364 F N 0.562 120.545 119.950 0.055 0.000 2.440 364 F HA 0.296 4.823 4.527 0.000 0.000 0.323 364 F C 1.470 177.338 175.800 0.113 0.000 1.192 364 F CA -0.183 57.869 58.000 0.086 0.000 1.252 364 F CB 1.034 40.136 39.000 0.170 0.000 1.214 364 F HN -0.026 nan 8.300 nan 0.000 0.578 365 T N -1.613 113.038 114.554 0.162 0.000 2.982 365 T HA 0.178 4.529 4.350 0.000 0.000 0.321 365 T C -2.120 172.329 174.700 -0.418 0.000 1.229 365 T CA -1.664 60.327 62.100 -0.182 0.000 1.044 365 T CB 1.798 70.592 68.868 -0.123 0.000 1.184 365 T HN 0.264 nan 8.240 nan 0.000 0.477 366 P HA -0.196 nan 4.420 nan 0.000 0.220 366 P C 0.405 177.568 177.300 -0.228 0.000 1.142 366 P CA 1.350 64.081 63.100 -0.615 0.000 0.801 366 P CB -0.258 31.117 31.700 -0.541 0.000 0.764 367 N N -0.290 118.308 118.700 -0.170 0.000 2.558 367 N HA 0.206 4.946 4.740 0.000 0.000 0.281 367 N C -0.297 175.196 175.510 -0.029 0.000 1.219 367 N CA -0.368 52.638 53.050 -0.074 0.000 0.942 367 N CB -0.713 37.740 38.487 -0.056 0.000 1.241 367 N HN 0.154 nan 8.380 nan 0.000 0.511 368 L N -0.867 120.339 121.223 -0.028 0.000 2.388 368 L HA 0.682 5.022 4.340 0.000 0.000 0.264 368 L C -0.281 176.605 176.870 0.026 0.000 0.998 368 L CA -1.093 53.749 54.840 0.004 0.000 0.817 368 L CB 1.790 43.809 42.059 -0.068 0.000 1.338 368 L HN -0.120 nan 8.230 nan 0.000 0.414 369 R N 0.668 121.216 120.500 0.080 0.000 2.807 369 R HA 0.708 5.048 4.340 0.000 0.000 0.276 369 R C -1.133 175.235 176.300 0.113 0.000 0.979 369 R CA -0.866 55.272 56.100 0.063 0.000 0.928 369 R CB 2.183 32.506 30.300 0.038 0.000 1.191 369 R HN 0.450 nan 8.270 nan 0.000 0.471 370 V N -0.172 119.768 119.914 0.043 0.000 2.532 370 V HA 0.728 4.848 4.120 0.000 0.000 0.295 370 V C -1.340 174.799 176.094 0.074 0.000 1.041 370 V CA -0.716 61.604 62.300 0.032 0.000 0.926 370 V CB 1.355 33.099 31.823 -0.132 0.000 0.992 370 V HN 0.621 nan 8.190 nan 0.000 0.457 371 W N 4.107 125.332 121.300 -0.124 0.000 2.520 371 W HA 0.680 5.340 4.660 0.000 0.000 0.323 371 W C -0.726 175.742 176.519 -0.085 0.000 1.062 371 W CA -0.943 56.393 57.345 -0.016 0.000 1.215 371 W CB 1.573 31.059 29.460 0.043 0.000 1.340 371 W HN 0.502 nan 8.180 nan 0.000 0.516 372 F N 3.627 123.792 119.950 0.359 0.000 2.303 372 F HA 0.496 5.023 4.527 0.000 0.000 0.368 372 F C 1.191 177.308 175.800 0.528 0.000 1.105 372 F CA 0.373 58.615 58.000 0.403 0.000 1.153 372 F CB 0.292 39.565 39.000 0.455 0.000 1.362 372 F HN 0.670 nan 8.300 nan 0.000 0.511 373 G N 3.195 112.293 108.800 0.497 0.000 2.556 373 G HA2 -0.344 3.616 3.960 0.000 0.000 0.283 373 G HA3 -0.344 3.616 3.960 0.000 0.000 0.283 373 G C 0.719 175.907 174.900 0.480 0.000 1.177 373 G CA 0.315 45.677 45.100 0.437 0.000 0.978 373 G HN 0.662 nan 8.290 nan 0.000 0.554 374 D N 0.632 121.313 120.400 0.468 0.000 2.325 374 D HA 0.206 4.846 4.640 0.000 0.000 0.225 374 D C 0.799 177.423 176.300 0.539 0.000 1.096 374 D CA 0.650 54.945 54.000 0.492 0.000 0.844 374 D CB 0.080 41.060 40.800 0.299 0.000 0.925 374 D HN 0.498 nan 8.370 nan 0.000 0.513 375 V N 0.636 120.777 119.914 0.379 0.000 2.435 375 V HA 0.244 4.365 4.120 0.000 0.000 0.290 375 V C 0.226 176.209 176.094 -0.184 0.000 1.030 375 V CA -0.979 61.318 62.300 -0.005 0.000 0.881 375 V CB 1.869 33.570 31.823 -0.203 0.000 0.983 375 V HN 0.026 nan 8.190 nan 0.000 0.445 376 E N 2.545 122.282 120.200 -0.771 0.000 2.229 376 E HA 0.609 4.959 4.350 0.000 0.000 0.283 376 E C -0.293 176.063 176.600 -0.407 0.000 1.030 376 E CA -0.352 55.400 56.400 -1.079 0.000 0.836 376 E CB 1.349 30.213 29.700 -1.394 0.000 1.068 376 E HN 0.911 nan 8.360 nan 0.000 0.401 377 A N 4.169 126.888 122.820 -0.169 0.000 2.325 377 A HA 0.255 4.575 4.320 0.000 0.000 0.333 377 A C -0.203 177.360 177.584 -0.034 0.000 1.155 377 A CA -0.668 51.367 52.037 -0.003 0.000 0.814 377 A CB 1.003 20.181 19.000 0.297 0.000 1.206 377 A HN 0.805 nan 8.150 nan 0.000 0.482 378 E N 0.802 120.983 120.200 -0.032 0.000 2.502 378 E HA 0.238 4.588 4.350 0.000 0.000 0.261 378 E C -0.715 175.893 176.600 0.012 0.000 0.974 378 E CA 0.650 57.037 56.400 -0.022 0.000 0.936 378 E CB 0.349 30.037 29.700 -0.019 0.000 0.926 378 E HN 0.486 nan 8.360 nan 0.000 0.459 379 T N 5.061 119.624 114.554 0.015 0.000 2.879 379 T HA 0.380 4.730 4.350 0.000 0.000 0.290 379 T C -0.801 173.935 174.700 0.060 0.000 0.993 379 T CA -0.678 61.446 62.100 0.040 0.000 0.975 379 T CB 0.865 69.754 68.868 0.034 0.000 0.981 379 T HN 0.413 nan 8.240 nan 0.000 0.439 380 M N 3.298 122.943 119.600 0.074 0.000 2.149 380 M HA 0.399 4.879 4.480 0.000 0.000 0.342 380 M C -0.777 175.613 176.300 0.149 0.000 1.068 380 M CA -0.716 54.642 55.300 0.097 0.000 0.991 380 M CB 0.961 33.599 32.600 0.063 0.000 1.596 380 M HN 0.625 nan 8.290 nan 0.000 0.439 381 Y N 4.094 124.419 120.300 0.042 0.000 2.436 381 Y HA 0.285 4.835 4.550 0.000 0.000 0.336 381 Y C 0.578 176.514 175.900 0.060 0.000 1.049 381 Y CA 0.228 58.366 58.100 0.064 0.000 1.294 381 Y CB 0.527 39.019 38.460 0.054 0.000 1.179 381 Y HN 0.631 nan 8.280 nan 0.000 0.520 382 R N 4.490 124.737 120.500 -0.421 0.000 2.056 382 R HA 0.207 4.547 4.340 0.000 0.000 0.215 382 R C 0.204 176.033 176.300 -0.785 0.000 1.205 382 R CA 1.236 57.096 56.100 -0.400 0.000 1.020 382 R CB -0.886 29.293 30.300 -0.202 0.000 0.911 382 R HN 0.764 nan 8.270 nan 0.000 0.451 383 C N -4.748 114.015 119.300 -0.895 0.000 3.272 383 C HA 0.635 5.095 4.460 0.000 0.000 0.363 383 C C 1.841 176.641 174.990 -0.316 0.000 1.514 383 C CA -0.465 58.107 59.018 -0.743 0.000 1.185 383 C CB 0.788 28.348 27.740 -0.300 0.000 1.716 383 C HN 0.504 nan 8.230 nan 0.000 0.440 384 G N 1.042 109.837 108.800 -0.009 0.000 2.556 384 G HA2 -0.215 3.745 3.960 0.000 0.000 0.220 384 G HA3 -0.215 3.745 3.960 0.000 0.000 0.220 384 G C 1.070 175.833 174.900 -0.229 0.000 1.156 384 G CA 1.849 46.983 45.100 0.057 0.000 0.766 384 G HN 1.048 nan 8.290 nan 0.000 0.583 385 E N -0.377 119.626 120.200 -0.328 0.000 2.472 385 E HA 0.185 4.535 4.350 0.000 0.000 0.196 385 E C 0.688 176.954 176.600 -0.558 0.000 1.033 385 E CA 0.152 56.232 56.400 -0.533 0.000 0.886 385 E CB 0.322 29.842 29.700 -0.301 0.000 0.944 385 E HN 0.256 nan 8.360 nan 0.000 0.492 386 S N 0.066 115.565 115.700 -0.335 0.000 2.548 386 S HA 0.725 5.195 4.470 0.000 0.000 0.286 386 S C -1.102 173.531 174.600 0.055 0.000 1.098 386 S CA -0.656 57.467 58.200 -0.129 0.000 0.930 386 S CB 1.228 64.359 63.200 -0.115 0.000 1.070 386 S HN 0.184 nan 8.310 nan 0.000 0.480 387 M N 4.103 123.831 119.600 0.213 0.000 2.413 387 M HA 0.538 5.018 4.480 0.000 0.000 0.287 387 M C -2.207 174.173 176.300 0.133 0.000 1.186 387 M CA -0.537 54.895 55.300 0.220 0.000 0.927 387 M CB 1.595 34.422 32.600 0.378 0.000 1.715 387 M HN 0.622 nan 8.290 nan 0.000 0.478 388 L N 2.838 124.115 121.223 0.089 0.000 2.333 388 L HA 0.917 5.257 4.340 0.000 0.000 0.269 388 L C -0.882 176.028 176.870 0.067 0.000 1.010 388 L CA -0.834 54.047 54.840 0.068 0.000 0.818 388 L CB 2.103 44.190 42.059 0.046 0.000 1.306 388 L HN 0.977 nan 8.230 nan 0.000 0.430 389 C N -0.328 119.012 119.300 0.067 0.000 3.288 389 C HA 0.761 5.221 4.460 0.000 0.000 0.318 389 C C -0.674 174.358 174.990 0.070 0.000 1.356 389 C CA -0.820 58.245 59.018 0.079 0.000 1.359 389 C CB 1.241 29.046 27.740 0.107 0.000 1.688 389 C HN 0.443 nan 8.230 nan 0.000 0.467 390 V N 2.672 122.619 119.914 0.054 0.000 2.333 390 V HA 0.346 4.466 4.120 0.000 0.000 0.274 390 V C 0.364 176.388 176.094 -0.117 0.000 1.028 390 V CA -0.265 62.025 62.300 -0.016 0.000 0.851 390 V CB 1.110 32.919 31.823 -0.022 0.000 1.000 390 V HN 0.829 nan 8.190 nan 0.000 0.456 391 V N 9.237 128.995 119.914 -0.260 0.000 2.509 391 V HA 0.068 4.188 4.120 0.000 0.000 0.297 391 V C -1.358 174.526 176.094 -0.350 0.000 1.014 391 V CA -0.665 61.260 62.300 -0.625 0.000 1.127 391 V CB 0.572 31.999 31.823 -0.659 0.000 0.925 391 V HN 0.776 nan 8.190 nan 0.000 0.480 392 P HA 0.089 nan 4.420 nan 0.000 0.271 392 P C -0.430 176.909 177.300 0.065 0.000 1.216 392 P CA -0.420 62.605 63.100 -0.124 0.000 0.776 392 P CB 0.652 32.254 31.700 -0.164 0.000 0.881 393 D N 1.987 122.408 120.400 0.035 0.000 2.533 393 D HA -0.119 4.521 4.640 0.000 0.000 0.236 393 D C 1.294 177.667 176.300 0.121 0.000 1.137 393 D CA -0.067 53.996 54.000 0.106 0.000 0.867 393 D CB 0.282 41.107 40.800 0.041 0.000 1.170 393 D HN 0.227 nan 8.370 nan 0.000 0.474 394 I N 3.430 124.135 120.570 0.225 0.000 2.381 394 I HA -0.311 3.859 4.170 0.000 0.000 0.255 394 I C 2.158 178.239 176.117 -0.060 0.000 1.140 394 I CA 2.106 63.404 61.300 -0.003 0.000 1.404 394 I CB -0.469 37.649 38.000 0.196 0.000 1.075 394 I HN 0.536 nan 8.210 nan 0.000 0.433 395 S N 1.084 116.779 115.700 -0.008 0.000 2.383 395 S HA -0.191 4.280 4.470 0.000 0.000 0.229 395 S C 2.194 176.699 174.600 -0.158 0.000 1.030 395 S CA 0.958 59.122 58.200 -0.060 0.000 1.002 395 S CB -1.141 62.048 63.200 -0.018 0.000 0.829 395 S HN 0.550 nan 8.310 nan 0.000 0.467 396 A N -0.648 122.044 122.820 -0.213 0.000 2.259 396 A HA 0.270 4.590 4.320 0.000 0.000 0.212 396 A C 1.191 178.443 177.584 -0.554 0.000 1.178 396 A CA 0.773 52.577 52.037 -0.389 0.000 0.734 396 A CB -0.785 17.913 19.000 -0.503 0.000 0.774 396 A HN 0.649 nan 8.150 nan 0.000 0.481 397 F N -1.637 118.131 119.950 -0.304 0.000 2.871 397 F HA 0.322 4.849 4.527 0.000 0.000 0.344 397 F C 0.381 175.878 175.800 -0.505 0.000 1.078 397 F CA -0.183 57.602 58.000 -0.358 0.000 1.149 397 F CB 0.882 39.624 39.000 -0.430 0.000 1.087 397 F HN -0.110 nan 8.300 nan 0.000 0.557 398 R N 0.819 121.055 120.500 -0.440 0.000 2.695 398 R HA 0.167 4.507 4.340 0.000 0.000 0.288 398 R C 0.587 176.606 176.300 -0.468 0.000 1.344 398 R CA -0.238 55.388 56.100 -0.789 0.000 1.005 398 R CB 1.369 30.375 30.300 -2.156 0.000 1.233 398 R HN -0.029 nan 8.270 nan 0.000 0.442 399 E N 2.481 122.542 120.200 -0.231 0.000 2.164 399 E HA -0.271 4.079 4.350 0.000 0.000 0.233 399 E C 1.553 178.162 176.600 0.016 0.000 1.073 399 E CA 2.873 59.224 56.400 -0.081 0.000 0.941 399 E CB -0.383 29.295 29.700 -0.036 0.000 0.820 399 E HN 0.748 nan 8.360 nan 0.000 0.486 400 G N -0.506 108.381 108.800 0.145 0.000 2.524 400 G HA2 -0.218 3.743 3.960 0.000 0.000 0.215 400 G HA3 -0.218 3.743 3.960 0.000 0.000 0.215 400 G C -0.351 174.669 174.900 0.200 0.000 1.239 400 G CA 0.598 45.804 45.100 0.176 0.000 0.798 400 G HN 0.401 nan 8.290 nan 0.000 0.557 401 W N 0.506 121.671 121.300 -0.226 0.000 2.473 401 W HA -0.053 4.607 4.660 0.000 0.000 0.323 401 W C 1.464 177.851 176.519 -0.220 0.000 0.735 401 W CA 0.693 57.847 57.345 -0.319 0.000 0.712 401 W CB -0.213 29.100 29.460 -0.245 0.000 0.959 401 W HN 0.235 nan 8.180 nan 0.000 0.511 402 R N 2.508 122.938 120.500 -0.116 0.000 2.404 402 R HA 0.126 4.466 4.340 0.000 0.000 0.237 402 R C -0.117 176.329 176.300 0.244 0.000 0.907 402 R CA 0.241 56.391 56.100 0.084 0.000 1.063 402 R CB 0.557 30.944 30.300 0.144 0.000 1.134 402 R HN 0.558 nan 8.270 nan 0.000 0.529 403 W N -1.881 119.495 121.300 0.126 0.000 3.066 403 W HA 0.295 4.955 4.660 0.000 0.000 0.330 403 W C -1.123 175.481 176.519 0.141 0.000 1.253 403 W CA -1.007 56.404 57.345 0.110 0.000 1.187 403 W CB 0.351 29.831 29.460 0.034 0.000 1.434 403 W HN -0.485 nan 8.180 nan 0.000 0.572 404 V N 3.854 124.056 119.914 0.479 0.000 2.324 404 V HA 0.004 4.124 4.120 0.000 0.000 0.244 404 V C 1.719 177.905 176.094 0.154 0.000 1.144 404 V CA 0.247 62.781 62.300 0.390 0.000 1.158 404 V CB -0.446 31.625 31.823 0.412 0.000 1.254 404 V HN 0.572 nan 8.190 nan 0.000 0.492 405 R N 2.165 122.286 120.500 -0.632 0.000 2.159 405 R HA -0.093 4.247 4.340 0.000 0.000 0.237 405 R C 0.887 177.003 176.300 -0.307 0.000 1.131 405 R CA 1.060 56.682 56.100 -0.797 0.000 0.982 405 R CB 0.203 29.437 30.300 -1.777 0.000 0.868 405 R HN 0.754 nan 8.270 nan 0.000 0.453 406 Q N -0.642 119.116 119.800 -0.069 0.000 2.578 406 Q HA 0.247 4.587 4.340 0.000 0.000 0.284 406 Q C -2.794 173.365 176.000 0.265 0.000 0.960 406 Q CA -1.880 54.008 55.803 0.142 0.000 0.809 406 Q CB 2.695 31.527 28.738 0.156 0.000 1.462 406 Q HN -0.159 nan 8.270 nan 0.000 0.392 407 P HA 0.031 nan 4.420 nan 0.000 0.263 407 P C -0.879 176.483 177.300 0.103 0.000 1.195 407 P CA 0.107 63.281 63.100 0.123 0.000 0.762 407 P CB 0.557 32.294 31.700 0.062 0.000 0.799 408 V N 4.874 124.832 119.914 0.073 0.000 2.380 408 V HA 0.238 4.358 4.120 0.000 0.000 0.286 408 V C 0.316 176.370 176.094 -0.067 0.000 1.015 408 V CA -0.434 61.833 62.300 -0.055 0.000 0.834 408 V CB 1.262 32.956 31.823 -0.215 0.000 1.009 408 V HN 0.561 nan 8.190 nan 0.000 0.428 409 Q N 4.969 124.728 119.800 -0.069 0.000 2.368 409 Q HA 0.648 4.988 4.340 0.000 0.000 0.256 409 Q C -0.715 175.251 176.000 -0.056 0.000 0.980 409 Q CA -0.425 55.354 55.803 -0.040 0.000 0.887 409 Q CB 1.933 30.656 28.738 -0.025 0.000 1.221 409 Q HN 0.735 nan 8.270 nan 0.000 0.458 410 V N 1.767 121.670 119.914 -0.018 0.000 2.966 410 V HA 0.808 4.928 4.120 0.000 0.000 0.317 410 V C -2.641 173.545 176.094 0.154 0.000 1.070 410 V CA -2.284 60.016 62.300 -0.001 0.000 1.008 410 V CB 1.521 33.269 31.823 -0.126 0.000 1.070 410 V HN 0.775 nan 8.190 nan 0.000 0.457 411 P HA 0.468 nan 4.420 nan 0.000 0.296 411 P C -0.965 176.422 177.300 0.144 0.000 1.310 411 P CA -0.622 62.561 63.100 0.140 0.000 0.900 411 P CB 2.245 33.998 31.700 0.088 0.000 1.111 412 V N 2.002 121.962 119.914 0.075 0.000 2.567 412 V HA 0.570 4.690 4.120 0.000 0.000 0.289 412 V C 0.478 176.565 176.094 -0.011 0.000 1.049 412 V CA 0.414 62.677 62.300 -0.061 0.000 0.969 412 V CB 1.349 33.107 31.823 -0.108 0.000 0.995 412 V HN 0.841 nan 8.190 nan 0.000 0.471 413 T N 5.353 119.892 114.554 -0.025 0.000 3.047 413 T HA 0.451 4.801 4.350 0.000 0.000 0.340 413 T C -1.388 173.334 174.700 0.036 0.000 1.421 413 T CA -0.557 61.559 62.100 0.026 0.000 1.090 413 T CB 0.849 69.753 68.868 0.060 0.000 1.292 413 T HN 0.414 nan 8.240 nan 0.000 0.480 414 L N 3.781 125.024 121.223 0.033 0.000 2.334 414 L HA 0.807 5.147 4.340 0.000 0.000 0.277 414 L C -0.543 176.405 176.870 0.130 0.000 1.075 414 L CA -1.045 53.823 54.840 0.047 0.000 0.804 414 L CB 1.679 43.701 42.059 -0.061 0.000 1.174 414 L HN 0.413 nan 8.230 nan 0.000 0.438 415 V N 3.197 123.212 119.914 0.168 0.000 2.524 415 V HA 0.372 4.492 4.120 0.000 0.000 0.297 415 V C 0.204 176.413 176.094 0.192 0.000 1.035 415 V CA -0.752 61.636 62.300 0.146 0.000 0.867 415 V CB 1.733 33.597 31.823 0.069 0.000 1.004 415 V HN 0.738 nan 8.190 nan 0.000 0.426 416 R N 2.461 123.094 120.500 0.222 0.000 2.822 416 R HA 0.177 4.517 4.340 0.000 0.000 0.277 416 R C 0.928 177.292 176.300 0.106 0.000 1.102 416 R CA -0.271 55.931 56.100 0.170 0.000 1.207 416 R CB 0.441 30.872 30.300 0.218 0.000 1.139 416 R HN 0.701 nan 8.270 nan 0.000 0.557 417 N N 0.809 119.551 118.700 0.070 0.000 2.457 417 N HA -0.110 4.630 4.740 0.000 0.000 0.180 417 N C 0.312 175.846 175.510 0.040 0.000 1.050 417 N CA 0.979 54.064 53.050 0.058 0.000 0.906 417 N CB -0.007 38.500 38.487 0.032 0.000 0.968 417 N HN 0.519 nan 8.380 nan 0.000 0.445 418 D N -1.612 118.801 120.400 0.021 0.000 2.328 418 D HA 0.201 4.841 4.640 0.000 0.000 0.221 418 D C 1.230 177.519 176.300 -0.018 0.000 1.072 418 D CA 0.356 54.356 54.000 -0.001 0.000 0.850 418 D CB -0.051 40.741 40.800 -0.014 0.000 0.922 418 D HN 0.162 nan 8.370 nan 0.000 0.516 419 G N -0.020 108.771 108.800 -0.014 0.000 2.259 419 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 419 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 419 G C 0.128 174.953 174.900 -0.124 0.000 1.001 419 G CA -0.072 44.993 45.100 -0.057 0.000 0.627 419 G HN 0.268 nan 8.290 nan 0.000 0.501 420 I N 2.178 122.664 120.570 -0.140 0.000 2.845 420 I HA 0.291 4.461 4.170 0.000 0.000 0.296 420 I C 0.773 176.694 176.117 -0.327 0.000 1.216 420 I CA -0.018 61.119 61.300 -0.273 0.000 1.438 420 I CB 0.260 38.035 38.000 -0.376 0.000 1.342 420 I HN 0.479 nan 8.210 nan 0.000 0.577 421 I N 6.473 126.807 120.570 -0.395 0.000 2.436 421 I HA 0.416 4.586 4.170 0.000 0.000 0.289 421 I C -1.470 174.419 176.117 -0.380 0.000 1.010 421 I CA -0.507 60.572 61.300 -0.369 0.000 1.098 421 I CB 1.506 39.198 38.000 -0.513 0.000 1.266 421 I HN 0.230 nan 8.210 nan 0.000 0.434 422 Y N 5.079 125.339 120.300 -0.066 0.000 2.353 422 Y HA 0.586 5.136 4.550 0.000 0.000 0.340 422 Y C 0.949 176.846 175.900 -0.004 0.000 0.972 422 Y CA -0.584 57.527 58.100 0.019 0.000 1.157 422 Y CB 1.156 39.646 38.460 0.050 0.000 1.157 422 Y HN 0.763 nan 8.280 nan 0.000 0.495 423 S N 0.877 116.664 115.700 0.146 0.000 2.603 423 S HA 0.417 4.887 4.470 0.000 0.000 0.268 423 S C 0.727 175.402 174.600 0.126 0.000 1.317 423 S CA 0.105 58.386 58.200 0.135 0.000 1.012 423 S CB 1.425 64.720 63.200 0.158 0.000 0.926 423 S HN 0.760 nan 8.310 nan 0.000 0.539 424 T N -1.278 113.332 114.554 0.094 0.000 3.422 424 T HA 0.494 4.844 4.350 0.000 0.000 0.192 424 T C 1.022 175.760 174.700 0.064 0.000 0.857 424 T CA 0.467 62.613 62.100 0.076 0.000 1.400 424 T CB -0.261 68.640 68.868 0.056 0.000 1.864 424 T HN 1.158 nan 8.240 nan 0.000 0.415 425 S N -1.185 114.547 115.700 0.054 0.000 3.505 425 S HA 0.099 4.569 4.470 0.000 0.000 0.095 425 S C -0.267 174.360 174.600 0.045 0.000 0.745 425 S CA -0.277 57.949 58.200 0.043 0.000 1.451 425 S CB -1.438 61.786 63.200 0.040 0.000 0.818 425 S HN 0.473 nan 8.310 nan 0.000 0.657 426 L N 2.668 123.923 121.223 0.053 0.000 2.476 426 L HA 0.497 4.837 4.340 0.000 0.000 0.264 426 L C 0.369 177.285 176.870 0.076 0.000 1.224 426 L CA 0.771 55.649 54.840 0.064 0.000 0.821 426 L CB 0.398 42.498 42.059 0.069 0.000 1.101 426 L HN 0.536 nan 8.230 nan 0.000 0.488 427 T N -1.349 113.265 114.554 0.100 0.000 3.262 427 T HA 0.221 4.572 4.350 0.000 0.000 0.336 427 T C -0.701 174.107 174.700 0.181 0.000 0.911 427 T CA -0.563 61.612 62.100 0.125 0.000 1.154 427 T CB -0.020 68.890 68.868 0.071 0.000 1.007 427 T HN 0.289 nan 8.240 nan 0.000 0.488 428 F N 3.305 123.333 119.950 0.131 0.000 2.608 428 F HA 0.424 4.951 4.527 0.000 0.000 0.380 428 F C 0.108 175.994 175.800 0.144 0.000 1.083 428 F CA 0.633 58.738 58.000 0.174 0.000 1.266 428 F CB 0.522 39.752 39.000 0.384 0.000 1.076 428 F HN 0.569 nan 8.300 nan 0.000 0.574 429 T N 6.810 120.962 114.554 -0.670 0.000 2.786 429 T HA 0.267 4.617 4.350 0.000 0.000 0.283 429 T C -0.989 173.315 174.700 -0.660 0.000 0.992 429 T CA -0.244 61.592 62.100 -0.440 0.000 0.954 429 T CB 0.173 68.907 68.868 -0.223 0.000 0.934 429 T HN 0.306 nan 8.240 nan 0.000 0.440 430 Y N 2.901 122.948 120.300 -0.422 0.000 2.411 430 Y HA 0.397 4.947 4.550 0.000 0.000 0.333 430 Y C 1.538 177.377 175.900 -0.102 0.000 1.186 430 Y CA -0.144 57.834 58.100 -0.203 0.000 1.381 430 Y CB 0.565 39.041 38.460 0.026 0.000 1.273 430 Y HN 0.649 nan 8.280 nan 0.000 0.546 431 T N 1.597 116.183 114.554 0.053 0.000 2.916 431 T HA 0.515 4.865 4.350 0.000 0.000 0.305 431 T C -2.996 171.776 174.700 0.120 0.000 1.119 431 T CA -2.606 59.534 62.100 0.067 0.000 1.008 431 T CB 1.792 70.654 68.868 -0.010 0.000 1.129 431 T HN 0.137 nan 8.240 nan 0.000 0.480 432 P HA 0.269 nan 4.420 nan 0.000 0.265 432 P C -0.597 176.755 177.300 0.087 0.000 1.193 432 P CA -0.150 63.035 63.100 0.142 0.000 0.765 432 P CB 0.187 31.958 31.700 0.118 0.000 0.823 433 E N 4.177 124.430 120.200 0.089 0.000 2.104 433 E HA 0.132 4.482 4.350 0.000 0.000 0.278 433 E C -1.219 175.385 176.600 0.007 0.000 1.127 433 E CA -1.031 55.398 56.400 0.048 0.000 0.897 433 E CB -0.693 29.040 29.700 0.054 0.000 1.043 433 E HN 0.429 nan 8.360 nan 0.000 0.410 434 P HA 0.000 nan 4.420 nan 0.000 0.216 434 P CA 0.000 63.090 63.100 -0.016 0.000 0.800 434 P CB 0.000 31.695 31.700 -0.009 0.000 0.726