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 1vf7_1_L DATA FIRST_RESID 26 DATA SEQUENCE TLNTELPGRT NAFRIAEVRP QVNGIILKRL FKEGSDVKAG QQLYQIDPAT DATA SEQUENCE YEADYQSAQA NLASTQEQAQ RYKLLVADQA VSKQQYADAN AAYLQSKAAV DATA SEQUENCE EQARINLRYT KVLSPISGRI GRSAVTEGAL VTNGQANAMA TVQQLDPIYV DATA SEQUENCE DVTQPSTALL RLRRELASGQ LERAGDNAAK VSLKLEDGSQ YPLEGRLEFS DATA SEQUENCE EVSVDEGTGS VTIRAVFPNP NNELLPGMFV HAQLQ 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 26 T HA 0.000 nan 4.350 nan 0.000 0.228 26 T C 0.000 174.706 174.700 0.010 0.000 1.109 26 T CA 0.000 62.105 62.100 0.008 0.000 1.349 26 T CB 0.000 68.872 68.868 0.006 0.000 0.612 27 L N 2.918 124.149 121.223 0.014 0.000 2.629 27 L HA 0.408 4.748 4.340 -0.000 0.000 0.230 27 L C 0.146 177.030 176.870 0.022 0.000 1.151 27 L CA -0.257 54.593 54.840 0.016 0.000 0.924 27 L CB -0.288 41.780 42.059 0.015 0.000 1.137 27 L HN 0.453 nan 8.230 nan 0.000 0.457 28 N N -1.196 117.519 118.700 0.025 0.000 2.430 28 N HA 0.038 4.778 4.740 -0.000 0.000 0.265 28 N C -0.340 175.192 175.510 0.036 0.000 1.100 28 N CA -0.299 52.773 53.050 0.036 0.000 0.961 28 N CB 0.372 38.887 38.487 0.048 0.000 1.075 28 N HN -0.133 nan 8.380 nan 0.000 0.478 29 T N 1.905 116.488 114.554 0.048 0.000 2.817 29 T HA 0.018 4.368 4.350 -0.000 0.000 0.295 29 T C 0.014 174.756 174.700 0.070 0.000 0.958 29 T CA -0.088 62.044 62.100 0.054 0.000 1.157 29 T CB -0.035 68.872 68.868 0.066 0.000 0.898 29 T HN 0.485 nan 8.240 nan 0.000 0.536 30 E N 3.160 123.390 120.200 0.051 0.000 2.105 30 E HA 0.239 4.589 4.350 -0.000 0.000 0.285 30 E C -0.384 176.327 176.600 0.184 0.000 1.055 30 E CA -0.331 56.115 56.400 0.076 0.000 0.843 30 E CB 0.732 30.375 29.700 -0.095 0.000 1.067 30 E HN 0.521 nan 8.360 nan 0.000 0.398 31 L N 6.205 127.568 121.223 0.234 0.000 2.265 31 L HA 0.364 4.704 4.340 -0.000 0.000 0.289 31 L C -2.038 174.949 176.870 0.195 0.000 1.033 31 L CA -2.321 52.640 54.840 0.203 0.000 0.814 31 L CB 0.801 42.945 42.059 0.142 0.000 1.203 31 L HN 0.245 nan 8.230 nan 0.000 0.423 32 P HA 0.283 nan 4.420 nan 0.000 0.271 32 P C -0.211 177.006 177.300 -0.139 0.000 1.218 32 P CA 0.105 63.088 63.100 -0.196 0.000 0.780 32 P CB 1.666 33.332 31.700 -0.056 0.000 0.901 33 G N 1.628 110.305 108.800 -0.205 0.000 2.495 33 G HA2 0.519 4.479 3.960 -0.000 0.000 0.294 33 G HA3 0.519 4.479 3.960 -0.000 0.000 0.294 33 G C -1.615 173.200 174.900 -0.141 0.000 1.397 33 G CA -0.675 44.349 45.100 -0.127 0.000 0.790 33 G HN 0.363 nan 8.290 nan 0.000 0.486 34 R N 0.416 120.845 120.500 -0.118 0.000 2.628 34 R HA 0.562 4.902 4.340 -0.000 0.000 0.288 34 R C 0.017 176.264 176.300 -0.087 0.000 0.980 34 R CA -0.521 55.501 56.100 -0.130 0.000 0.891 34 R CB 1.588 31.794 30.300 -0.157 0.000 1.188 34 R HN 0.908 nan 8.270 nan 0.000 0.450 35 T N -0.040 114.460 114.554 -0.090 0.000 2.898 35 T HA 0.321 4.671 4.350 -0.000 0.000 0.301 35 T C 0.133 174.821 174.700 -0.019 0.000 1.049 35 T CA -0.474 61.590 62.100 -0.061 0.000 1.095 35 T CB 0.696 69.508 68.868 -0.093 0.000 0.976 35 T HN 0.527 nan 8.240 nan 0.000 0.539 36 N N -0.416 118.306 118.700 0.037 0.000 2.718 36 N HA 0.464 5.204 4.740 -0.000 0.000 0.260 36 N C -0.848 174.752 175.510 0.151 0.000 1.089 36 N CA -0.246 52.858 53.050 0.090 0.000 1.021 36 N CB 1.448 40.019 38.487 0.139 0.000 1.618 36 N HN 1.076 nan 8.380 nan 0.000 0.554 37 A N 2.191 125.078 122.820 0.112 0.000 2.483 37 A HA 0.153 4.473 4.320 -0.000 0.000 0.238 37 A C 0.866 178.561 177.584 0.185 0.000 1.070 37 A CA -0.026 52.078 52.037 0.110 0.000 0.770 37 A CB -0.127 18.913 19.000 0.066 0.000 1.008 37 A HN 0.753 nan 8.150 nan 0.000 0.497 38 F N 1.319 121.209 119.950 -0.100 0.000 2.146 38 F HA 0.069 4.596 4.527 -0.000 0.000 0.298 38 F C 1.245 177.037 175.800 -0.013 0.000 1.096 38 F CA 1.812 59.649 58.000 -0.272 0.000 1.275 38 F CB 0.074 38.861 39.000 -0.354 0.000 1.008 38 F HN 0.603 nan 8.300 nan 0.000 0.480 39 R N 0.187 120.697 120.500 0.017 0.000 2.584 39 R HA 0.503 4.843 4.340 -0.000 0.000 0.276 39 R C -1.739 174.563 176.300 0.003 0.000 1.046 39 R CA -0.565 55.507 56.100 -0.046 0.000 0.906 39 R CB 1.685 31.946 30.300 -0.065 0.000 1.215 39 R HN 0.024 nan 8.270 nan 0.000 0.449 40 I N 2.246 122.809 120.570 -0.012 0.000 2.569 40 I HA 0.676 4.846 4.170 -0.000 0.000 0.296 40 I C -0.608 175.498 176.117 -0.020 0.000 1.028 40 I CA -0.948 60.346 61.300 -0.010 0.000 1.082 40 I CB 2.188 40.185 38.000 -0.005 0.000 1.264 40 I HN 0.681 nan 8.210 nan 0.000 0.429 41 A N 4.772 127.579 122.820 -0.021 0.000 2.455 41 A HA 0.628 4.948 4.320 -0.000 0.000 0.300 41 A C -1.019 176.551 177.584 -0.024 0.000 1.040 41 A CA -0.637 51.386 52.037 -0.024 0.000 0.697 41 A CB 1.393 20.378 19.000 -0.025 0.000 1.265 41 A HN 0.737 nan 8.150 nan 0.000 0.407 42 E N 0.600 120.788 120.200 -0.021 0.000 2.277 42 E HA 0.487 4.837 4.350 -0.000 0.000 0.274 42 E C -0.970 175.624 176.600 -0.011 0.000 1.022 42 E CA -0.739 55.652 56.400 -0.016 0.000 0.853 42 E CB 2.069 31.759 29.700 -0.017 0.000 1.086 42 E HN 0.330 nan 8.360 nan 0.000 0.397 43 V N 3.810 123.728 119.914 0.006 0.000 2.311 43 V HA 0.350 4.470 4.120 -0.000 0.000 0.275 43 V C -0.090 176.016 176.094 0.020 0.000 1.022 43 V CA -0.454 61.868 62.300 0.036 0.000 0.830 43 V CB 0.535 32.417 31.823 0.099 0.000 1.012 43 V HN 0.564 nan 8.190 nan 0.000 0.452 44 R N 5.354 125.845 120.500 -0.016 0.000 2.750 44 R HA 0.587 4.927 4.340 -0.000 0.000 0.281 44 R C -2.795 173.449 176.300 -0.092 0.000 0.972 44 R CA -1.782 54.282 56.100 -0.060 0.000 0.912 44 R CB 2.832 33.091 30.300 -0.069 0.000 1.187 44 R HN 0.426 nan 8.270 nan 0.000 0.464 45 P HA 0.134 nan 4.420 nan 0.000 0.284 45 P C -0.895 176.292 177.300 -0.189 0.000 1.253 45 P CA -0.309 62.712 63.100 -0.133 0.000 0.800 45 P CB 1.196 32.824 31.700 -0.120 0.000 0.961 46 Q N 0.502 120.131 119.800 -0.286 0.000 2.172 46 Q HA 0.389 4.729 4.340 -0.000 0.000 0.217 46 Q C -0.382 175.442 176.000 -0.295 0.000 0.832 46 Q CA -0.163 55.361 55.803 -0.465 0.000 1.010 46 Q CB 1.034 29.113 28.738 -1.098 0.000 1.133 46 Q HN 0.213 nan 8.270 nan 0.000 0.489 47 V N 0.595 120.424 119.914 -0.143 0.000 3.000 47 V HA 0.248 4.368 4.120 -0.000 0.000 0.300 47 V C -1.495 174.603 176.094 0.006 0.000 1.251 47 V CA -1.041 61.223 62.300 -0.061 0.000 0.972 47 V CB 2.496 34.221 31.823 -0.163 0.000 1.065 47 V HN 0.236 nan 8.190 nan 0.000 0.431 48 N N 2.560 121.323 118.700 0.105 0.000 2.525 48 N HA 0.775 5.515 4.740 -0.000 0.000 0.271 48 N C 0.203 175.820 175.510 0.178 0.000 1.194 48 N CA 0.838 53.955 53.050 0.111 0.000 0.964 48 N CB 1.556 40.108 38.487 0.109 0.000 1.126 48 N HN 1.184 nan 8.380 nan 0.000 0.452 49 G N -0.316 108.547 108.800 0.105 0.000 2.315 49 G HA2 0.242 4.202 3.960 -0.000 0.000 0.294 49 G HA3 0.242 4.202 3.960 -0.000 0.000 0.294 49 G C -1.737 173.196 174.900 0.055 0.000 1.300 49 G CA -0.719 44.453 45.100 0.119 0.000 0.843 49 G HN 0.312 nan 8.290 nan 0.000 0.527 50 I N 1.175 121.777 120.570 0.054 0.000 2.392 50 I HA 0.359 4.529 4.170 -0.000 0.000 0.295 50 I C 0.302 176.439 176.117 0.033 0.000 0.985 50 I CA -1.012 60.307 61.300 0.031 0.000 1.221 50 I CB 1.464 39.482 38.000 0.029 0.000 1.366 50 I HN 0.270 nan 8.210 nan 0.000 0.467 51 I N 6.691 127.270 120.570 0.015 0.000 2.581 51 I HA -0.069 4.101 4.170 -0.000 0.000 0.285 51 I C 1.095 177.242 176.117 0.050 0.000 1.129 51 I CA 0.100 61.419 61.300 0.033 0.000 1.397 51 I CB 0.381 38.392 38.000 0.020 0.000 1.399 51 I HN 0.495 nan 8.210 nan 0.000 0.537 52 L N 6.845 128.107 121.223 0.065 0.000 2.102 52 L HA 0.103 4.443 4.340 -0.000 0.000 0.202 52 L C 0.730 177.633 176.870 0.054 0.000 1.076 52 L CA 1.751 56.624 54.840 0.055 0.000 0.761 52 L CB -0.086 42.006 42.059 0.057 0.000 0.921 52 L HN 0.436 nan 8.230 nan 0.000 0.444 53 K N -1.214 119.233 120.400 0.077 0.000 2.468 53 K HA 0.298 4.618 4.320 -0.000 0.000 0.252 53 K C 0.466 177.115 176.600 0.082 0.000 0.932 53 K CA -0.407 55.912 56.287 0.053 0.000 0.794 53 K CB 2.183 34.701 32.500 0.031 0.000 1.241 53 K HN -0.171 nan 8.250 nan 0.000 0.428 54 R N 1.607 122.097 120.500 -0.018 0.000 2.057 54 R HA 0.084 4.424 4.340 -0.000 0.000 0.229 54 R C 0.499 176.590 176.300 -0.348 0.000 1.136 54 R CA 1.555 57.522 56.100 -0.222 0.000 0.952 54 R CB 0.012 30.078 30.300 -0.390 0.000 0.848 54 R HN 0.662 nan 8.270 nan 0.000 0.430 55 L N -1.833 119.255 121.223 -0.225 0.000 5.044 55 L HA -0.250 4.090 4.340 -0.000 0.000 0.412 55 L C -0.701 176.147 176.870 -0.037 0.000 0.971 55 L CA 0.540 55.316 54.840 -0.108 0.000 1.411 55 L CB -1.879 40.163 42.059 -0.029 0.000 1.884 55 L HN 0.277 nan 8.230 nan 0.000 0.631 56 F N -1.170 118.693 119.950 -0.145 0.000 2.601 56 F HA 0.677 5.204 4.527 -0.000 0.000 0.309 56 F C -0.078 175.669 175.800 -0.088 0.000 1.089 56 F CA -1.539 56.388 58.000 -0.121 0.000 0.940 56 F CB 1.232 40.136 39.000 -0.159 0.000 1.273 56 F HN -0.130 nan 8.300 nan 0.000 0.450 57 K N 2.284 122.786 120.400 0.170 0.000 2.339 57 K HA 0.166 4.486 4.320 -0.000 0.000 0.286 57 K C -0.389 176.373 176.600 0.270 0.000 1.050 57 K CA -0.187 56.163 56.287 0.106 0.000 0.956 57 K CB 0.594 33.137 32.500 0.071 0.000 0.990 57 K HN 0.855 nan 8.250 nan 0.000 0.475 58 E N 2.209 122.509 120.200 0.167 0.000 2.417 58 E HA 0.055 4.405 4.350 -0.000 0.000 0.261 58 E C -0.016 176.664 176.600 0.135 0.000 1.000 58 E CA 0.566 57.101 56.400 0.224 0.000 0.919 58 E CB 0.436 30.214 29.700 0.130 0.000 0.955 58 E HN 0.860 nan 8.360 nan 0.000 0.455 59 G N 2.965 111.835 108.800 0.118 0.000 2.540 59 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.260 59 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.260 59 G C -0.186 174.746 174.900 0.053 0.000 0.993 59 G CA 0.321 45.458 45.100 0.062 0.000 1.327 59 G HN 0.685 nan 8.290 nan 0.000 0.485 60 S N -0.129 115.594 115.700 0.039 0.000 2.636 60 S HA 0.713 5.183 4.470 -0.000 0.000 0.266 60 S C -1.286 173.315 174.600 0.001 0.000 1.147 60 S CA -0.818 57.401 58.200 0.031 0.000 0.815 60 S CB 2.051 65.288 63.200 0.061 0.000 1.119 60 S HN 0.318 nan 8.310 nan 0.000 0.470 61 D N 1.018 121.417 120.400 -0.001 0.000 2.168 61 D HA 0.601 5.241 4.640 -0.000 0.000 0.246 61 D C -0.134 176.151 176.300 -0.025 0.000 1.050 61 D CA -0.221 53.769 54.000 -0.018 0.000 0.857 61 D CB 1.952 42.746 40.800 -0.010 0.000 1.169 61 D HN 0.756 nan 8.370 nan 0.000 0.453 62 V N -1.155 118.730 119.914 -0.047 0.000 3.040 62 V HA 0.619 4.739 4.120 -0.000 0.000 0.312 62 V C -0.758 175.311 176.094 -0.042 0.000 1.115 62 V CA -0.953 61.314 62.300 -0.056 0.000 0.998 62 V CB 2.763 34.514 31.823 -0.120 0.000 1.042 62 V HN 0.232 nan 8.190 nan 0.000 0.433 63 K N 1.732 122.113 120.400 -0.033 0.000 2.156 63 K HA 0.753 5.073 4.320 -0.000 0.000 0.250 63 K C 0.130 176.716 176.600 -0.023 0.000 0.955 63 K CA -0.147 56.127 56.287 -0.021 0.000 0.855 63 K CB 1.942 34.435 32.500 -0.012 0.000 1.101 63 K HN 1.252 nan 8.250 nan 0.000 0.434 64 A N 0.546 123.357 122.820 -0.015 0.000 2.580 64 A HA 0.327 4.647 4.320 -0.000 0.000 0.244 64 A C 1.231 178.811 177.584 -0.006 0.000 1.045 64 A CA 1.319 53.350 52.037 -0.010 0.000 0.761 64 A CB -0.992 18.006 19.000 -0.003 0.000 0.962 64 A HN 0.946 nan 8.150 nan 0.000 0.512 65 G N 1.011 109.808 108.800 -0.004 0.000 2.179 65 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 65 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 65 G C 0.372 175.273 174.900 0.002 0.000 0.977 65 G CA 0.608 45.709 45.100 0.002 0.000 0.641 65 G HN 1.213 nan 8.290 nan 0.000 0.533 66 Q N 0.347 120.143 119.800 -0.006 0.000 2.352 66 Q HA 0.396 4.736 4.340 -0.000 0.000 0.260 66 Q C 0.418 176.421 176.000 0.005 0.000 0.976 66 Q CA -0.264 55.537 55.803 -0.004 0.000 0.881 66 Q CB 0.381 29.110 28.738 -0.015 0.000 1.235 66 Q HN 0.475 nan 8.270 nan 0.000 0.419 67 Q N 3.843 123.654 119.800 0.018 0.000 2.307 67 Q HA 0.107 4.447 4.340 -0.000 0.000 0.259 67 Q C -0.003 176.021 176.000 0.040 0.000 0.998 67 Q CA -0.063 55.763 55.803 0.038 0.000 0.923 67 Q CB 0.606 29.369 28.738 0.042 0.000 1.196 67 Q HN 0.829 nan 8.270 nan 0.000 0.416 68 L N 3.961 125.210 121.223 0.044 0.000 2.408 68 L HA 0.197 4.537 4.340 -0.000 0.000 0.215 68 L C -0.322 176.454 176.870 -0.157 0.000 1.081 68 L CA 0.232 55.069 54.840 -0.005 0.000 0.840 68 L CB 0.328 42.295 42.059 -0.153 0.000 1.002 68 L HN 0.591 nan 8.230 nan 0.000 0.468 69 Y N -1.125 119.269 120.300 0.156 0.000 2.544 69 Y HA 0.453 5.003 4.550 -0.000 0.000 0.342 69 Y C -0.520 175.418 175.900 0.063 0.000 1.062 69 Y CA -1.064 57.100 58.100 0.105 0.000 1.023 69 Y CB 1.713 40.236 38.460 0.105 0.000 1.308 69 Y HN -0.229 nan 8.280 nan 0.000 0.457 70 Q N 2.830 122.758 119.800 0.215 0.000 2.400 70 Q HA 0.495 4.835 4.340 -0.000 0.000 0.255 70 Q C -1.324 174.748 176.000 0.119 0.000 1.008 70 Q CA -0.183 55.699 55.803 0.131 0.000 0.841 70 Q CB 0.629 29.420 28.738 0.088 0.000 1.220 70 Q HN 0.641 nan 8.270 nan 0.000 0.474 71 I N 2.863 123.491 120.570 0.097 0.000 2.556 71 I HA 0.011 4.181 4.170 -0.000 0.000 0.284 71 I C 0.504 176.680 176.117 0.098 0.000 1.114 71 I CA -0.194 61.153 61.300 0.079 0.000 1.418 71 I CB 0.576 38.607 38.000 0.052 0.000 1.394 71 I HN 0.603 nan 8.210 nan 0.000 0.552 72 D N 9.766 130.227 120.400 0.102 0.000 2.554 72 D HA -0.044 4.596 4.640 -0.000 0.000 0.251 72 D C -1.508 174.891 176.300 0.165 0.000 1.213 72 D CA -0.954 53.109 54.000 0.104 0.000 0.900 72 D CB 0.898 41.746 40.800 0.080 0.000 1.135 72 D HN 0.297 nan 8.370 nan 0.000 0.522 73 P HA 0.137 nan 4.420 nan 0.000 0.267 73 P C 0.896 178.300 177.300 0.174 0.000 1.289 73 P CA -0.041 63.184 63.100 0.209 0.000 0.866 73 P CB 0.437 32.209 31.700 0.121 0.000 1.309 74 A N 1.126 124.007 122.820 0.102 0.000 1.869 74 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 74 A C 2.266 179.871 177.584 0.035 0.000 1.203 74 A CA 2.853 54.925 52.037 0.058 0.000 0.638 74 A CB -1.971 17.048 19.000 0.032 0.000 0.831 74 A HN 0.207 nan 8.150 nan 0.000 0.450 75 T N -1.216 113.321 114.554 -0.028 0.000 2.708 75 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 75 T C 1.761 176.404 174.700 -0.095 0.000 1.037 75 T CA 1.853 63.889 62.100 -0.107 0.000 1.146 75 T CB -0.546 68.178 68.868 -0.239 0.000 0.865 75 T HN 0.551 nan 8.240 nan 0.000 0.435 76 Y N 1.234 121.559 120.300 0.041 0.000 2.207 76 Y HA -0.155 4.395 4.550 0.000 0.000 0.287 76 Y C 2.723 178.670 175.900 0.077 0.000 1.156 76 Y CA 1.288 59.417 58.100 0.049 0.000 1.182 76 Y CB -0.237 38.240 38.460 0.027 0.000 0.979 76 Y HN 0.201 nan 8.280 nan 0.000 0.521 77 E N 0.450 120.782 120.200 0.219 0.000 2.051 77 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 77 E C 2.278 178.979 176.600 0.169 0.000 0.991 77 E CA 1.392 57.904 56.400 0.187 0.000 0.799 77 E CB -0.432 29.347 29.700 0.131 0.000 0.748 77 E HN 0.320 nan 8.360 nan 0.000 0.449 78 A N 0.866 123.746 122.820 0.099 0.000 1.865 78 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 78 A C 1.960 179.579 177.584 0.060 0.000 1.191 78 A CA 2.026 54.097 52.037 0.058 0.000 0.623 78 A CB -0.944 18.069 19.000 0.022 0.000 0.826 78 A HN 0.305 nan 8.150 nan 0.000 0.444 79 D N -1.921 118.519 120.400 0.067 0.000 2.182 79 D HA -0.160 4.480 4.640 -0.000 0.000 0.201 79 D C 1.583 177.961 176.300 0.130 0.000 0.986 79 D CA 1.520 55.565 54.000 0.075 0.000 0.847 79 D CB -0.338 40.504 40.800 0.071 0.000 0.942 79 D HN 0.644 nan 8.370 nan 0.000 0.467 80 Y N 1.015 121.342 120.300 0.045 0.000 2.243 80 Y HA -0.085 4.465 4.550 0.000 0.000 0.293 80 Y C 2.299 178.213 175.900 0.022 0.000 1.124 80 Y CA 1.246 59.368 58.100 0.038 0.000 1.159 80 Y CB -0.285 38.203 38.460 0.048 0.000 1.008 80 Y HN -0.176 nan 8.280 nan 0.000 0.527 81 Q N -0.114 119.630 119.800 -0.093 0.000 2.084 81 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 81 Q C 2.711 178.624 176.000 -0.146 0.000 0.978 81 Q CA 2.199 57.899 55.803 -0.171 0.000 0.844 81 Q CB -0.516 28.202 28.738 -0.034 0.000 0.898 81 Q HN 0.479 nan 8.270 nan 0.000 0.426 82 S N -0.638 115.019 115.700 -0.071 0.000 2.368 82 S HA -0.151 4.319 4.470 -0.000 0.000 0.225 82 S C 1.961 176.522 174.600 -0.066 0.000 1.030 82 S CA 1.220 59.389 58.200 -0.052 0.000 0.999 82 S CB -0.366 62.822 63.200 -0.020 0.000 0.844 82 S HN 0.446 nan 8.310 nan 0.000 0.459 83 A N 0.987 123.762 122.820 -0.074 0.000 1.969 83 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 83 A C 2.275 179.788 177.584 -0.119 0.000 1.169 83 A CA 1.320 53.316 52.037 -0.069 0.000 0.635 83 A CB -0.606 18.382 19.000 -0.021 0.000 0.810 83 A HN 0.714 nan 8.150 nan 0.000 0.445 84 Q N -0.658 119.009 119.800 -0.223 0.000 2.123 84 Q HA -0.082 4.258 4.340 -0.000 0.000 0.199 84 Q C 2.450 178.382 176.000 -0.114 0.000 0.966 84 Q CA 1.221 56.896 55.803 -0.213 0.000 0.845 84 Q CB -0.355 28.184 28.738 -0.331 0.000 0.907 84 Q HN 0.681 nan 8.270 nan 0.000 0.439 85 A N 2.093 124.853 122.820 -0.099 0.000 1.877 85 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 85 A C 1.952 179.513 177.584 -0.038 0.000 1.186 85 A CA 1.592 53.594 52.037 -0.059 0.000 0.620 85 A CB -0.779 18.190 19.000 -0.051 0.000 0.822 85 A HN 0.389 nan 8.150 nan 0.000 0.443 86 N N -0.095 118.582 118.700 -0.037 0.000 2.166 86 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 86 N C 1.720 177.227 175.510 -0.005 0.000 1.019 86 N CA 1.762 54.799 53.050 -0.020 0.000 0.856 86 N CB -0.236 38.239 38.487 -0.021 0.000 0.993 86 N HN 0.388 nan 8.380 nan 0.000 0.426 87 L N 1.257 122.475 121.223 -0.009 0.000 2.072 87 L HA 0.119 4.459 4.340 -0.000 0.000 0.205 87 L C 2.428 179.331 176.870 0.055 0.000 1.079 87 L CA 1.700 56.558 54.840 0.031 0.000 0.752 87 L CB -0.992 41.073 42.059 0.010 0.000 0.906 87 L HN 0.143 nan 8.230 nan 0.000 0.436 88 A N -1.193 121.635 122.820 0.014 0.000 1.917 88 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 88 A C 2.542 180.128 177.584 0.004 0.000 1.182 88 A CA 2.280 54.322 52.037 0.009 0.000 0.633 88 A CB -1.178 17.815 19.000 -0.012 0.000 0.819 88 A HN 0.577 nan 8.150 nan 0.000 0.448 89 S N -0.826 114.873 115.700 -0.002 0.000 2.348 89 S HA -0.138 4.332 4.470 -0.000 0.000 0.219 89 S C 2.247 176.836 174.600 -0.018 0.000 1.033 89 S CA 2.174 60.365 58.200 -0.015 0.000 0.974 89 S CB -0.823 62.367 63.200 -0.017 0.000 0.868 89 S HN 0.816 nan 8.310 nan 0.000 0.459 90 T N -0.330 114.232 114.554 0.014 0.000 2.833 90 T HA -0.123 4.227 4.350 -0.000 0.000 0.269 90 T C 1.922 176.652 174.700 0.049 0.000 1.054 90 T CA 1.544 63.664 62.100 0.034 0.000 1.135 90 T CB -0.597 68.320 68.868 0.082 0.000 0.869 90 T HN 0.569 nan 8.240 nan 0.000 0.466 91 Q N 0.605 120.455 119.800 0.083 0.000 2.046 91 Q HA -0.159 4.181 4.340 -0.000 0.000 0.200 91 Q C 2.563 178.478 176.000 -0.141 0.000 0.975 91 Q CA 1.371 57.133 55.803 -0.069 0.000 0.836 91 Q CB -0.154 28.603 28.738 0.033 0.000 0.896 91 Q HN 0.533 nan 8.270 nan 0.000 0.428 92 E N 0.655 120.807 120.200 -0.079 0.000 2.085 92 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 92 E C 1.877 178.407 176.600 -0.116 0.000 0.994 92 E CA 1.832 58.183 56.400 -0.081 0.000 0.801 92 E CB -0.059 29.609 29.700 -0.052 0.000 0.743 92 E HN 0.451 nan 8.360 nan 0.000 0.453 93 Q N 0.066 119.772 119.800 -0.157 0.000 2.050 93 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 93 Q C 2.073 177.874 176.000 -0.332 0.000 0.980 93 Q CA 2.138 57.758 55.803 -0.305 0.000 0.840 93 Q CB -0.361 28.160 28.738 -0.361 0.000 0.898 93 Q HN 0.294 nan 8.270 nan 0.000 0.424 94 A N 0.190 122.893 122.820 -0.194 0.000 1.933 94 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 94 A C 1.973 179.572 177.584 0.026 0.000 1.175 94 A CA 1.752 53.763 52.037 -0.042 0.000 0.628 94 A CB -0.583 18.346 19.000 -0.118 0.000 0.814 94 A HN 0.576 nan 8.150 nan 0.000 0.444 95 Q N -1.184 118.559 119.800 -0.094 0.000 2.079 95 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 95 Q C 2.374 178.354 176.000 -0.034 0.000 0.974 95 Q CA 1.485 57.243 55.803 -0.076 0.000 0.840 95 Q CB -0.161 28.516 28.738 -0.101 0.000 0.898 95 Q HN 0.677 nan 8.270 nan 0.000 0.430 96 R N -0.343 120.155 120.500 -0.002 0.000 2.075 96 R HA -0.148 4.192 4.340 -0.000 0.000 0.232 96 R C 1.687 178.102 176.300 0.191 0.000 1.126 96 R CA 1.164 57.306 56.100 0.071 0.000 0.963 96 R CB 0.010 30.364 30.300 0.089 0.000 0.858 96 R HN 0.242 nan 8.270 nan 0.000 0.435 97 Y N 0.906 121.178 120.300 -0.046 0.000 2.421 97 Y HA -0.112 4.438 4.550 -0.000 0.000 0.292 97 Y C 2.146 177.855 175.900 -0.319 0.000 1.136 97 Y CA 0.771 58.837 58.100 -0.057 0.000 1.255 97 Y CB -0.362 38.177 38.460 0.131 0.000 0.991 97 Y HN 0.093 nan 8.280 nan 0.000 0.552 98 K N 0.421 120.636 120.400 -0.307 0.000 2.062 98 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 98 K C 1.932 178.315 176.600 -0.363 0.000 1.051 98 K CA 0.931 56.772 56.287 -0.743 0.000 0.941 98 K CB -0.295 31.906 32.500 -0.498 0.000 0.719 98 K HN 0.269 nan 8.250 nan 0.000 0.440 99 L N 1.180 122.293 121.223 -0.183 0.000 2.042 99 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 99 L C 2.479 179.283 176.870 -0.110 0.000 1.076 99 L CA 1.109 55.880 54.840 -0.115 0.000 0.749 99 L CB -0.416 41.606 42.059 -0.063 0.000 0.893 99 L HN 0.212 nan 8.230 nan 0.000 0.432 100 L N -0.496 120.665 121.223 -0.103 0.000 2.093 100 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 100 L C 2.565 179.355 176.870 -0.133 0.000 1.085 100 L CA 0.954 55.727 54.840 -0.111 0.000 0.755 100 L CB -0.562 41.416 42.059 -0.135 0.000 0.904 100 L HN 0.228 nan 8.230 nan 0.000 0.435 101 V N -2.673 117.141 119.914 -0.166 0.000 2.515 101 V HA -0.134 3.986 4.120 -0.000 0.000 0.250 101 V C 2.657 178.694 176.094 -0.096 0.000 1.058 101 V CA 1.346 63.573 62.300 -0.123 0.000 1.064 101 V CB -1.348 30.415 31.823 -0.100 0.000 0.675 101 V HN 0.324 nan 8.190 nan 0.000 0.461 102 A N 0.775 123.527 122.820 -0.114 0.000 1.908 102 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 102 A C 1.837 179.386 177.584 -0.059 0.000 1.181 102 A CA 2.103 54.093 52.037 -0.079 0.000 0.627 102 A CB -0.743 18.207 19.000 -0.083 0.000 0.818 102 A HN 0.559 nan 8.150 nan 0.000 0.445 103 D N -0.810 119.552 120.400 -0.064 0.000 2.349 103 D HA 0.119 4.759 4.640 -0.000 0.000 0.224 103 D C 0.235 176.505 176.300 -0.050 0.000 1.029 103 D CA 0.472 54.442 54.000 -0.051 0.000 0.879 103 D CB -0.126 40.644 40.800 -0.050 0.000 0.906 103 D HN 0.583 nan 8.370 nan 0.000 0.528 104 Q N -1.395 118.372 119.800 -0.055 0.000 2.480 104 Q HA -0.270 4.070 4.340 -0.000 0.000 0.265 104 Q C 1.041 177.005 176.000 -0.060 0.000 1.072 104 Q CA 0.645 56.417 55.803 -0.050 0.000 1.018 104 Q CB -1.667 27.050 28.738 -0.035 0.000 1.433 104 Q HN 0.359 nan 8.270 nan 0.000 0.513 105 A N -0.711 122.063 122.820 -0.077 0.000 2.067 105 A HA 0.295 4.615 4.320 -0.000 0.000 0.217 105 A C 0.800 178.307 177.584 -0.128 0.000 1.156 105 A CA 1.000 52.984 52.037 -0.088 0.000 0.683 105 A CB 0.822 19.771 19.000 -0.086 0.000 0.808 105 A HN 0.168 nan 8.150 nan 0.000 0.455 106 V N 0.000 119.823 119.914 -0.153 0.000 2.876 106 V HA 0.443 4.563 4.120 -0.000 0.000 0.312 106 V C 0.360 176.390 176.094 -0.107 0.000 1.085 106 V CA -0.256 61.924 62.300 -0.199 0.000 0.945 106 V CB 2.174 33.753 31.823 -0.406 0.000 1.017 106 V HN 0.507 nan 8.190 nan 0.000 0.428 107 S N 3.629 119.286 115.700 -0.071 0.000 2.624 107 S HA 0.294 4.764 4.470 -0.000 0.000 0.263 107 S C 0.899 175.525 174.600 0.044 0.000 1.287 107 S CA -0.168 58.025 58.200 -0.013 0.000 0.990 107 S CB 0.765 63.963 63.200 -0.004 0.000 0.950 107 S HN 0.682 nan 8.310 nan 0.000 0.561 108 K N -0.020 120.418 120.400 0.064 0.000 2.097 108 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 108 K C 2.367 179.027 176.600 0.099 0.000 1.050 108 K CA 1.455 57.812 56.287 0.116 0.000 0.938 108 K CB -0.311 32.242 32.500 0.087 0.000 0.718 108 K HN 0.660 nan 8.250 nan 0.000 0.442 109 Q N 1.532 121.367 119.800 0.059 0.000 2.061 109 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 109 Q C 1.867 177.910 176.000 0.071 0.000 0.984 109 Q CA 1.810 57.640 55.803 0.046 0.000 0.846 109 Q CB -0.067 28.690 28.738 0.032 0.000 0.902 109 Q HN 0.294 nan 8.270 nan 0.000 0.421 110 Q N -1.438 118.415 119.800 0.087 0.000 2.061 110 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 110 Q C 1.909 178.081 176.000 0.287 0.000 0.984 110 Q CA 1.678 57.564 55.803 0.139 0.000 0.846 110 Q CB -0.416 28.338 28.738 0.027 0.000 0.902 110 Q HN 0.511 nan 8.270 nan 0.000 0.421 111 Y N 0.986 121.368 120.300 0.136 0.000 2.145 111 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 111 Y C 2.157 178.139 175.900 0.136 0.000 1.145 111 Y CA 1.142 59.359 58.100 0.194 0.000 1.148 111 Y CB -0.770 37.756 38.460 0.110 0.000 0.981 111 Y HN 0.075 nan 8.280 nan 0.000 0.507 112 A N 0.555 123.254 122.820 -0.202 0.000 1.892 112 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 112 A C 1.960 179.466 177.584 -0.129 0.000 1.188 112 A CA 2.274 54.164 52.037 -0.245 0.000 0.631 112 A CB -1.031 17.911 19.000 -0.095 0.000 0.822 112 A HN 0.561 nan 8.150 nan 0.000 0.447 113 D N -0.149 120.240 120.400 -0.017 0.000 2.178 113 D HA -0.015 4.625 4.640 -0.000 0.000 0.201 113 D C 2.104 178.416 176.300 0.019 0.000 0.980 113 D CA 1.432 55.441 54.000 0.016 0.000 0.842 113 D CB -0.372 40.462 40.800 0.056 0.000 0.948 113 D HN 0.483 nan 8.370 nan 0.000 0.472 114 A N 0.794 123.642 122.820 0.046 0.000 1.874 114 A HA -0.146 4.174 4.320 -0.000 0.000 0.214 114 A C 2.024 179.616 177.584 0.014 0.000 1.189 114 A CA 1.091 53.140 52.037 0.020 0.000 0.615 114 A CB -0.635 18.383 19.000 0.029 0.000 0.830 114 A HN 0.185 nan 8.150 nan 0.000 0.443 115 N N 0.614 119.276 118.700 -0.063 0.000 2.104 115 N HA -0.196 4.544 4.740 -0.000 0.000 0.190 115 N C 1.936 177.477 175.510 0.053 0.000 1.024 115 N CA 1.591 54.623 53.050 -0.030 0.000 0.853 115 N CB -0.205 38.087 38.487 -0.325 0.000 1.008 115 N HN 0.366 nan 8.380 nan 0.000 0.424 116 A N 0.945 123.751 122.820 -0.023 0.000 1.908 116 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 116 A C 2.411 179.997 177.584 0.003 0.000 1.181 116 A CA 2.006 54.035 52.037 -0.014 0.000 0.627 116 A CB -0.960 18.024 19.000 -0.026 0.000 0.818 116 A HN 0.490 nan 8.150 nan 0.000 0.445 117 A N -1.523 121.310 122.820 0.022 0.000 1.930 117 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 117 A C 2.127 179.739 177.584 0.046 0.000 1.175 117 A CA 1.658 53.708 52.037 0.022 0.000 0.627 117 A CB -0.759 18.253 19.000 0.019 0.000 0.815 117 A HN 0.834 nan 8.150 nan 0.000 0.443 118 Y N 0.639 120.914 120.300 -0.041 0.000 2.163 118 Y HA -0.131 4.419 4.550 0.000 0.000 0.288 118 Y C 1.824 177.711 175.900 -0.023 0.000 1.136 118 Y CA 1.765 59.846 58.100 -0.032 0.000 1.147 118 Y CB -0.461 37.984 38.460 -0.026 0.000 0.987 118 Y HN 0.190 nan 8.280 nan 0.000 0.509 119 L N 0.270 121.296 121.223 -0.328 0.000 2.046 119 L HA -0.268 4.072 4.340 -0.000 0.000 0.208 119 L C 2.568 179.296 176.870 -0.236 0.000 1.077 119 L CA 1.778 56.396 54.840 -0.370 0.000 0.747 119 L CB -0.718 41.245 42.059 -0.159 0.000 0.896 119 L HN 0.300 nan 8.230 nan 0.000 0.432 120 Q N -0.716 119.004 119.800 -0.134 0.000 2.170 120 Q HA -0.166 4.174 4.340 -0.000 0.000 0.203 120 Q C 2.440 178.383 176.000 -0.095 0.000 0.976 120 Q CA 1.618 57.368 55.803 -0.089 0.000 0.858 120 Q CB -0.100 28.609 28.738 -0.048 0.000 0.907 120 Q HN 0.426 nan 8.270 nan 0.000 0.433 121 S N 0.671 116.302 115.700 -0.116 0.000 2.355 121 S HA -0.118 4.352 4.470 -0.000 0.000 0.222 121 S C 1.713 176.242 174.600 -0.119 0.000 1.031 121 S CA 0.958 59.104 58.200 -0.090 0.000 0.993 121 S CB -0.043 63.125 63.200 -0.053 0.000 0.859 121 S HN 0.273 nan 8.310 nan 0.000 0.453 122 K N 1.358 121.619 120.400 -0.231 0.000 2.001 122 K HA -0.148 4.172 4.320 -0.000 0.000 0.214 122 K C 2.411 178.944 176.600 -0.110 0.000 1.050 122 K CA 1.444 57.611 56.287 -0.201 0.000 0.934 122 K CB -0.468 31.837 32.500 -0.325 0.000 0.718 122 K HN 0.344 nan 8.250 nan 0.000 0.443 123 A N 1.312 124.065 122.820 -0.113 0.000 1.940 123 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 123 A C 2.327 179.895 177.584 -0.027 0.000 1.176 123 A CA 2.046 54.047 52.037 -0.060 0.000 0.631 123 A CB -0.631 18.335 19.000 -0.057 0.000 0.814 123 A HN 0.404 nan 8.150 nan 0.000 0.446 124 A N -0.886 121.918 122.820 -0.027 0.000 1.968 124 A HA 0.126 4.446 4.320 -0.000 0.000 0.217 124 A C 2.172 179.777 177.584 0.035 0.000 1.169 124 A CA 1.467 53.507 52.037 0.004 0.000 0.638 124 A CB -0.624 18.375 19.000 -0.003 0.000 0.812 124 A HN 0.340 nan 8.150 nan 0.000 0.446 125 V N -0.102 119.827 119.914 0.024 0.000 2.358 125 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 125 V C 2.646 178.817 176.094 0.128 0.000 1.047 125 V CA 2.028 64.374 62.300 0.077 0.000 1.035 125 V CB -0.555 31.285 31.823 0.029 0.000 0.658 125 V HN 0.499 nan 8.190 nan 0.000 0.452 126 E N 0.151 120.385 120.200 0.057 0.000 2.058 126 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 126 E C 2.245 178.861 176.600 0.027 0.000 0.997 126 E CA 1.674 58.096 56.400 0.036 0.000 0.801 126 E CB -0.245 29.457 29.700 0.004 0.000 0.746 126 E HN 0.576 nan 8.360 nan 0.000 0.450 127 Q N 0.011 119.832 119.800 0.036 0.000 2.167 127 Q HA 0.007 4.347 4.340 -0.000 0.000 0.202 127 Q C 1.755 177.791 176.000 0.060 0.000 0.970 127 Q CA 1.677 57.504 55.803 0.039 0.000 0.855 127 Q CB -0.360 28.405 28.738 0.044 0.000 0.911 127 Q HN 0.242 nan 8.270 nan 0.000 0.438 128 A N -0.028 122.860 122.820 0.113 0.000 1.930 128 A HA -0.090 4.230 4.320 -0.000 0.000 0.215 128 A C 2.104 179.704 177.584 0.027 0.000 1.176 128 A CA 1.117 53.257 52.037 0.171 0.000 0.632 128 A CB -0.473 18.705 19.000 0.296 0.000 0.819 128 A HN 0.353 nan 8.150 nan 0.000 0.445 129 R N -0.039 120.438 120.500 -0.039 0.000 2.080 129 R HA -0.131 4.209 4.340 -0.000 0.000 0.236 129 R C 1.949 178.060 176.300 -0.316 0.000 1.137 129 R CA 1.972 57.861 56.100 -0.352 0.000 0.943 129 R CB -0.487 29.724 30.300 -0.148 0.000 0.846 129 R HN 0.524 nan 8.270 nan 0.000 0.431 130 I N 1.558 121.990 120.570 -0.231 0.000 2.113 130 I HA -0.371 3.799 4.170 -0.000 0.000 0.242 130 I C 1.823 177.717 176.117 -0.372 0.000 1.064 130 I CA 1.623 62.719 61.300 -0.340 0.000 1.320 130 I CB -0.525 37.355 38.000 -0.199 0.000 1.028 130 I HN 0.283 nan 8.210 nan 0.000 0.406 131 N N 0.583 119.183 118.700 -0.168 0.000 2.166 131 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 131 N C 1.668 176.952 175.510 -0.377 0.000 1.019 131 N CA 1.123 54.057 53.050 -0.193 0.000 0.856 131 N CB -0.461 37.984 38.487 -0.070 0.000 0.993 131 N HN 0.263 nan 8.380 nan 0.000 0.426 132 L N 1.075 122.121 121.223 -0.294 0.000 2.095 132 L HA 0.068 4.408 4.340 -0.000 0.000 0.204 132 L C 2.262 178.978 176.870 -0.257 0.000 1.080 132 L CA 1.356 56.041 54.840 -0.258 0.000 0.759 132 L CB -0.522 41.383 42.059 -0.256 0.000 0.914 132 L HN -0.011 nan 8.230 nan 0.000 0.439 133 R N -1.019 119.289 120.500 -0.319 0.000 2.115 133 R HA -0.273 4.067 4.340 -0.000 0.000 0.239 133 R C 2.277 178.449 176.300 -0.213 0.000 1.133 133 R CA 2.562 58.481 56.100 -0.301 0.000 0.935 133 R CB -0.823 29.224 30.300 -0.420 0.000 0.853 133 R HN 0.522 nan 8.270 nan 0.000 0.433 134 Y N 0.095 120.297 120.300 -0.164 0.000 2.651 134 Y HA -0.171 4.379 4.550 0.000 0.000 0.293 134 Y C 2.394 178.201 175.900 -0.156 0.000 1.151 134 Y CA 0.941 58.951 58.100 -0.151 0.000 1.362 134 Y CB -0.136 38.226 38.460 -0.163 0.000 0.973 134 Y HN 0.380 nan 8.280 nan 0.000 0.561 135 T N -2.366 112.153 114.554 -0.058 0.000 3.055 135 T HA -0.033 4.317 4.350 -0.000 0.000 0.265 135 T C 0.597 175.317 174.700 0.032 0.000 1.111 135 T CA 0.213 62.288 62.100 -0.043 0.000 1.118 135 T CB -0.097 68.737 68.868 -0.057 0.000 0.909 135 T HN 0.101 nan 8.240 nan 0.000 0.501 136 K N 2.181 122.602 120.400 0.035 0.000 2.266 136 K HA 0.458 4.778 4.320 -0.000 0.000 0.274 136 K C -1.086 175.571 176.600 0.096 0.000 1.090 136 K CA -0.447 55.877 56.287 0.062 0.000 0.925 136 K CB 1.445 33.962 32.500 0.028 0.000 1.225 136 K HN 0.090 nan 8.250 nan 0.000 0.458 137 V N 5.868 125.867 119.914 0.142 0.000 2.427 137 V HA 0.175 4.295 4.120 -0.000 0.000 0.268 137 V C 0.194 176.377 176.094 0.149 0.000 1.046 137 V CA -0.425 61.976 62.300 0.169 0.000 0.970 137 V CB 0.124 32.099 31.823 0.253 0.000 1.001 137 V HN 0.565 nan 8.190 nan 0.000 0.476 138 L N 3.381 124.664 121.223 0.100 0.000 2.331 138 L HA 0.481 4.821 4.340 -0.000 0.000 0.275 138 L C 0.676 177.565 176.870 0.032 0.000 1.022 138 L CA -0.399 54.476 54.840 0.057 0.000 0.812 138 L CB 1.756 43.843 42.059 0.046 0.000 1.257 138 L HN 0.543 nan 8.230 nan 0.000 0.435 139 S N 2.397 118.093 115.700 -0.007 0.000 2.515 139 S HA 0.104 4.574 4.470 -0.000 0.000 0.285 139 S C -1.400 173.191 174.600 -0.015 0.000 1.265 139 S CA -1.071 57.109 58.200 -0.034 0.000 1.079 139 S CB 0.668 63.828 63.200 -0.068 0.000 0.877 139 S HN 0.410 nan 8.310 nan 0.000 0.493 140 P HA 0.084 nan 4.420 nan 0.000 0.221 140 P C 0.274 177.567 177.300 -0.011 0.000 1.150 140 P CA 0.817 63.912 63.100 -0.008 0.000 0.800 140 P CB -0.241 31.453 31.700 -0.011 0.000 0.787 141 I N -5.788 114.770 120.570 -0.020 0.000 2.894 141 I HA 0.486 4.656 4.170 -0.000 0.000 0.302 141 I C -0.901 175.203 176.117 -0.020 0.000 1.188 141 I CA -1.320 59.972 61.300 -0.014 0.000 1.014 141 I CB 2.418 40.413 38.000 -0.009 0.000 1.242 141 I HN -0.440 nan 8.210 nan 0.000 0.430 142 S N 2.577 118.272 115.700 -0.008 0.000 2.549 142 S HA 0.726 5.196 4.470 -0.000 0.000 0.283 142 S C 0.286 174.882 174.600 -0.007 0.000 1.320 142 S CA 0.348 58.541 58.200 -0.011 0.000 1.058 142 S CB 0.793 63.993 63.200 -0.001 0.000 0.882 142 S HN 1.157 nan 8.310 nan 0.000 0.498 143 G N 1.797 110.584 108.800 -0.021 0.000 2.325 143 G HA2 0.380 4.340 3.960 -0.000 0.000 0.295 143 G HA3 0.380 4.340 3.960 -0.000 0.000 0.295 143 G C -1.666 173.212 174.900 -0.036 0.000 1.274 143 G CA -1.046 44.043 45.100 -0.018 0.000 0.857 143 G HN 0.647 nan 8.290 nan 0.000 0.499 144 R N -0.428 120.052 120.500 -0.032 0.000 2.407 144 R HA 0.719 5.059 4.340 -0.000 0.000 0.303 144 R C -1.029 175.233 176.300 -0.063 0.000 0.981 144 R CA -0.724 55.353 56.100 -0.038 0.000 0.905 144 R CB 1.371 31.661 30.300 -0.017 0.000 1.099 144 R HN 0.534 nan 8.270 nan 0.000 0.459 145 I N 3.713 124.230 120.570 -0.089 0.000 2.404 145 I HA 0.401 4.571 4.170 -0.000 0.000 0.293 145 I C 0.562 176.647 176.117 -0.053 0.000 0.992 145 I CA -0.218 60.992 61.300 -0.151 0.000 1.149 145 I CB 1.672 39.427 38.000 -0.408 0.000 1.315 145 I HN 0.823 nan 8.210 nan 0.000 0.446 146 G N 6.738 115.523 108.800 -0.025 0.000 2.679 146 G HA2 0.268 4.228 3.960 -0.000 0.000 0.202 146 G HA3 0.268 4.228 3.960 -0.000 0.000 0.202 146 G C -0.263 174.716 174.900 0.131 0.000 1.566 146 G CA -0.657 44.470 45.100 0.045 0.000 1.074 146 G HN 0.656 nan 8.290 nan 0.000 0.564 147 R N -0.324 120.254 120.500 0.129 0.000 2.539 147 R HA 0.402 4.742 4.340 -0.000 0.000 0.275 147 R C -0.083 176.367 176.300 0.250 0.000 1.077 147 R CA -0.263 55.939 56.100 0.171 0.000 1.097 147 R CB 0.851 31.214 30.300 0.105 0.000 1.018 147 R HN 0.290 nan 8.270 nan 0.000 0.483 148 S N 1.154 117.043 115.700 0.315 0.000 2.481 148 S HA 0.116 4.586 4.470 -0.000 0.000 0.282 148 S C 1.259 175.980 174.600 0.202 0.000 1.243 148 S CA -0.228 58.190 58.200 0.364 0.000 1.078 148 S CB 0.572 63.948 63.200 0.295 0.000 0.916 148 S HN 0.708 nan 8.310 nan 0.000 0.495 149 A N 5.036 127.960 122.820 0.174 0.000 2.121 149 A HA 0.169 4.489 4.320 -0.000 0.000 0.218 149 A C 0.626 178.245 177.584 0.059 0.000 1.154 149 A CA 0.610 52.701 52.037 0.090 0.000 0.679 149 A CB 0.036 19.072 19.000 0.060 0.000 0.795 149 A HN 0.619 nan 8.150 nan 0.000 0.458 150 V N 0.951 120.909 119.914 0.072 0.000 2.540 150 V HA 0.363 4.483 4.120 -0.000 0.000 0.302 150 V C 0.529 176.653 176.094 0.050 0.000 1.035 150 V CA -0.290 62.018 62.300 0.014 0.000 0.873 150 V CB 1.618 33.382 31.823 -0.098 0.000 0.992 150 V HN 0.489 nan 8.190 nan 0.000 0.428 151 T N 1.471 116.041 114.554 0.025 0.000 2.788 151 T HA 0.392 4.742 4.350 -0.000 0.000 0.287 151 T C 0.113 174.831 174.700 0.031 0.000 1.007 151 T CA -0.603 61.514 62.100 0.027 0.000 1.005 151 T CB 0.731 69.607 68.868 0.013 0.000 1.012 151 T HN 0.656 nan 8.240 nan 0.000 0.530 152 E N -0.044 120.173 120.200 0.028 0.000 2.415 152 E HA 0.371 4.721 4.350 -0.000 0.000 0.262 152 E C 1.345 177.955 176.600 0.016 0.000 1.038 152 E CA 0.740 57.156 56.400 0.028 0.000 0.921 152 E CB 0.135 29.844 29.700 0.016 0.000 0.950 152 E HN 1.066 nan 8.360 nan 0.000 0.438 153 G N 1.456 110.266 108.800 0.017 0.000 2.162 153 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 153 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 153 G C 0.249 175.152 174.900 0.005 0.000 0.976 153 G CA 0.189 45.296 45.100 0.011 0.000 0.655 153 G HN 0.735 nan 8.290 nan 0.000 0.533 154 A N -0.740 122.079 122.820 -0.001 0.000 2.271 154 A HA 0.840 5.160 4.320 -0.000 0.000 0.288 154 A C 0.069 177.644 177.584 -0.016 0.000 1.094 154 A CA -0.109 51.922 52.037 -0.011 0.000 0.828 154 A CB 1.129 20.117 19.000 -0.020 0.000 1.091 154 A HN 1.482 nan 8.150 nan 0.000 0.493 155 L N 2.089 123.302 121.223 -0.017 0.000 2.275 155 L HA 0.625 4.965 4.340 -0.000 0.000 0.288 155 L C -0.174 176.679 176.870 -0.029 0.000 1.046 155 L CA -0.245 54.587 54.840 -0.014 0.000 0.805 155 L CB 1.349 43.404 42.059 -0.007 0.000 1.193 155 L HN 0.737 nan 8.230 nan 0.000 0.426 156 V N 1.406 121.301 119.914 -0.031 0.000 2.815 156 V HA 0.828 4.948 4.120 -0.000 0.000 0.314 156 V C -0.343 175.736 176.094 -0.026 0.000 1.064 156 V CA -0.249 62.023 62.300 -0.048 0.000 0.952 156 V CB 1.889 33.660 31.823 -0.086 0.000 1.020 156 V HN 0.806 nan 8.190 nan 0.000 0.439 157 T N 2.903 117.436 114.554 -0.035 0.000 2.879 157 T HA 0.370 4.720 4.350 -0.000 0.000 0.290 157 T C -0.347 174.329 174.700 -0.040 0.000 0.993 157 T CA -0.343 61.743 62.100 -0.023 0.000 0.975 157 T CB 1.061 69.918 68.868 -0.019 0.000 0.981 157 T HN 1.006 nan 8.240 nan 0.000 0.439 158 N N 1.794 120.471 118.700 -0.039 0.000 2.219 158 N HA 0.155 4.895 4.740 -0.000 0.000 0.263 158 N C 1.401 176.879 175.510 -0.054 0.000 1.269 158 N CA 2.074 55.086 53.050 -0.063 0.000 0.831 158 N CB 0.027 38.483 38.487 -0.053 0.000 1.059 158 N HN 1.052 nan 8.380 nan 0.000 0.475 159 G N 1.953 110.712 108.800 -0.069 0.000 2.155 159 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 159 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 159 G C 0.076 174.950 174.900 -0.044 0.000 0.983 159 G CA 0.734 45.802 45.100 -0.054 0.000 0.676 159 G HN 0.991 nan 8.290 nan 0.000 0.528 160 Q N -0.815 118.957 119.800 -0.046 0.000 2.428 160 Q HA 0.622 4.962 4.340 -0.000 0.000 0.276 160 Q C 1.637 177.615 176.000 -0.036 0.000 1.059 160 Q CA 0.471 56.251 55.803 -0.038 0.000 0.923 160 Q CB 0.870 29.583 28.738 -0.042 0.000 1.283 160 Q HN 0.844 nan 8.270 nan 0.000 0.447 161 A N 3.614 126.417 122.820 -0.029 0.000 1.898 161 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 161 A C 0.411 177.980 177.584 -0.025 0.000 1.181 161 A CA 1.223 53.245 52.037 -0.025 0.000 0.620 161 A CB -0.563 18.425 19.000 -0.019 0.000 0.819 161 A HN 0.893 nan 8.150 nan 0.000 0.442 162 N N -0.177 118.508 118.700 -0.025 0.000 2.499 162 N HA 0.499 5.239 4.740 -0.000 0.000 0.281 162 N C -0.235 175.259 175.510 -0.027 0.000 1.098 162 N CA -0.153 52.884 53.050 -0.022 0.000 0.979 162 N CB 1.162 39.639 38.487 -0.016 0.000 1.121 162 N HN 0.410 nan 8.380 nan 0.000 0.466 163 A N 1.953 124.762 122.820 -0.018 0.000 2.366 163 A HA 0.140 4.460 4.320 -0.000 0.000 0.249 163 A C 0.995 178.576 177.584 -0.005 0.000 1.084 163 A CA -0.031 51.997 52.037 -0.014 0.000 0.794 163 A CB 0.270 19.267 19.000 -0.004 0.000 1.034 163 A HN 0.808 nan 8.150 nan 0.000 0.491 164 M N 0.375 119.975 119.600 -0.001 0.000 2.435 164 M HA 0.272 4.752 4.480 -0.000 0.000 0.265 164 M C 0.669 177.065 176.300 0.160 0.000 1.104 164 M CA 1.432 56.740 55.300 0.014 0.000 1.140 164 M CB 0.057 32.559 32.600 -0.163 0.000 1.372 164 M HN 0.857 nan 8.290 nan 0.000 0.456 165 A N -0.717 122.188 122.820 0.141 0.000 2.566 165 A HA 0.688 5.008 4.320 -0.000 0.000 0.290 165 A C -1.054 176.546 177.584 0.027 0.000 1.071 165 A CA -0.725 51.381 52.037 0.115 0.000 0.658 165 A CB 1.007 20.087 19.000 0.133 0.000 1.285 165 A HN 0.042 nan 8.150 nan 0.000 0.427 166 T N 0.624 115.170 114.554 -0.014 0.000 2.881 166 T HA 0.590 4.940 4.350 -0.000 0.000 0.290 166 T C -0.978 173.681 174.700 -0.067 0.000 1.000 166 T CA -0.395 61.686 62.100 -0.031 0.000 0.978 166 T CB 1.485 70.347 68.868 -0.011 0.000 0.997 166 T HN 0.807 nan 8.240 nan 0.000 0.443 167 V N 3.776 123.650 119.914 -0.067 0.000 2.398 167 V HA 0.453 4.573 4.120 -0.000 0.000 0.286 167 V C -0.255 175.817 176.094 -0.035 0.000 1.026 167 V CA -0.681 61.576 62.300 -0.073 0.000 0.868 167 V CB 1.493 33.264 31.823 -0.088 0.000 0.982 167 V HN 0.817 nan 8.190 nan 0.000 0.443 168 Q N 3.305 123.090 119.800 -0.025 0.000 2.309 168 Q HA 0.348 4.688 4.340 -0.000 0.000 0.270 168 Q C -0.610 175.397 176.000 0.011 0.000 1.023 168 Q CA -0.373 55.430 55.803 -0.000 0.000 0.758 168 Q CB 2.530 31.270 28.738 0.003 0.000 1.247 168 Q HN 0.719 nan 8.270 nan 0.000 0.455 169 Q N 3.857 123.680 119.800 0.037 0.000 2.286 169 Q HA 0.090 4.430 4.340 -0.000 0.000 0.265 169 Q C -0.130 175.908 176.000 0.063 0.000 1.080 169 Q CA 0.289 56.129 55.803 0.062 0.000 0.906 169 Q CB 0.473 29.291 28.738 0.133 0.000 1.227 169 Q HN 0.725 nan 8.270 nan 0.000 0.409 170 L N 3.390 124.623 121.223 0.016 0.000 2.766 170 L HA 0.101 4.441 4.340 -0.000 0.000 0.242 170 L C 1.324 178.169 176.870 -0.042 0.000 1.136 170 L CA -0.220 54.617 54.840 -0.005 0.000 0.933 170 L CB 0.179 42.235 42.059 -0.005 0.000 1.241 170 L HN 0.684 nan 8.230 nan 0.000 0.522 171 D N 1.484 121.841 120.400 -0.071 0.000 2.113 171 D HA 0.009 4.649 4.640 -0.000 0.000 0.206 171 D C -1.578 174.615 176.300 -0.179 0.000 0.979 171 D CA 0.409 54.350 54.000 -0.098 0.000 0.862 171 D CB -0.547 40.199 40.800 -0.089 0.000 1.013 171 D HN 0.072 nan 8.370 nan 0.000 0.455 172 P HA 0.179 nan 4.420 nan 0.000 0.268 172 P C -0.522 176.563 177.300 -0.360 0.000 1.205 172 P CA 0.290 63.048 63.100 -0.571 0.000 0.771 172 P CB 1.038 31.886 31.700 -1.420 0.000 0.858 173 I N 2.207 122.652 120.570 -0.209 0.000 2.769 173 I HA 0.393 4.563 4.170 -0.000 0.000 0.298 173 I C -1.010 175.101 176.117 -0.011 0.000 1.128 173 I CA -1.199 60.048 61.300 -0.088 0.000 1.031 173 I CB 1.532 39.504 38.000 -0.047 0.000 1.235 173 I HN 0.244 nan 8.210 nan 0.000 0.423 174 Y N 4.500 124.891 120.300 0.151 0.000 2.374 174 Y HA 0.343 4.893 4.550 -0.000 0.000 0.322 174 Y C 0.699 176.637 175.900 0.063 0.000 1.275 174 Y CA -0.599 57.586 58.100 0.142 0.000 1.307 174 Y CB 1.725 40.258 38.460 0.120 0.000 1.282 174 Y HN 0.305 nan 8.280 nan 0.000 0.509 175 V N -0.828 119.254 119.914 0.281 0.000 2.743 175 V HA -0.003 4.117 4.120 -0.000 0.000 0.237 175 V C -0.666 175.453 176.094 0.042 0.000 1.113 175 V CA 0.353 62.711 62.300 0.096 0.000 1.141 175 V CB -0.129 31.719 31.823 0.042 0.000 0.873 175 V HN 0.868 nan 8.190 nan 0.000 0.486 176 D N 0.624 121.044 120.400 0.034 0.000 4.531 176 D HA -0.109 4.531 4.640 -0.000 0.000 0.229 176 D C -0.948 175.337 176.300 -0.025 0.000 1.248 176 D CA 0.202 54.185 54.000 -0.028 0.000 1.039 176 D CB -0.389 40.380 40.800 -0.051 0.000 0.609 176 D HN 0.235 nan 8.370 nan 0.000 0.283 177 V N 2.835 122.743 119.914 -0.010 0.000 2.444 177 V HA 0.425 4.545 4.120 -0.000 0.000 0.294 177 V C 0.620 176.719 176.094 0.008 0.000 1.022 177 V CA -0.495 61.808 62.300 0.006 0.000 0.850 177 V CB 2.140 33.988 31.823 0.041 0.000 0.992 177 V HN 0.530 nan 8.190 nan 0.000 0.426 178 T N 3.018 117.573 114.554 0.002 0.000 2.771 178 T HA 0.698 5.048 4.350 -0.000 0.000 0.291 178 T C -0.575 174.140 174.700 0.025 0.000 0.954 178 T CA -0.753 61.350 62.100 0.005 0.000 1.045 178 T CB 1.344 70.206 68.868 -0.009 0.000 0.917 178 T HN 0.520 nan 8.240 nan 0.000 0.484 179 Q N 1.996 121.814 119.800 0.029 0.000 2.345 179 Q HA 0.395 4.735 4.340 -0.000 0.000 0.275 179 Q C -2.933 173.083 176.000 0.027 0.000 1.063 179 Q CA -2.218 53.607 55.803 0.038 0.000 0.819 179 Q CB 2.470 31.241 28.738 0.055 0.000 1.356 179 Q HN 0.409 nan 8.270 nan 0.000 0.418 180 P HA 0.002 nan 4.420 nan 0.000 0.266 180 P C 0.466 177.776 177.300 0.016 0.000 1.193 180 P CA 0.481 63.591 63.100 0.017 0.000 0.770 180 P CB 0.654 32.364 31.700 0.017 0.000 0.836 181 S N 1.512 117.218 115.700 0.011 0.000 2.381 181 S HA -0.248 4.222 4.470 -0.000 0.000 0.230 181 S C 1.863 176.466 174.600 0.005 0.000 1.052 181 S CA 2.396 60.601 58.200 0.008 0.000 1.068 181 S CB -1.629 61.573 63.200 0.004 0.000 0.918 181 S HN 0.741 nan 8.310 nan 0.000 0.448 182 T N 1.959 116.514 114.554 0.003 0.000 2.607 182 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 182 T C 2.027 176.725 174.700 -0.004 0.000 1.049 182 T CA 1.460 63.559 62.100 -0.002 0.000 1.162 182 T CB -1.107 67.761 68.868 -0.000 0.000 0.863 182 T HN 0.452 nan 8.240 nan 0.000 0.424 183 A N 1.646 124.469 122.820 0.005 0.000 1.971 183 A HA -0.101 4.219 4.320 -0.000 0.000 0.222 183 A C 2.382 179.966 177.584 0.001 0.000 1.182 183 A CA 2.120 54.163 52.037 0.010 0.000 0.649 183 A CB -1.100 17.916 19.000 0.028 0.000 0.818 183 A HN 0.540 nan 8.150 nan 0.000 0.458 184 L N -0.533 120.694 121.223 0.006 0.000 2.056 184 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 184 L C 2.251 179.083 176.870 -0.062 0.000 1.078 184 L CA 1.661 56.501 54.840 -0.001 0.000 0.749 184 L CB -0.302 41.776 42.059 0.032 0.000 0.901 184 L HN 0.426 nan 8.230 nan 0.000 0.433 185 L N -1.150 120.044 121.223 -0.048 0.000 2.156 185 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 185 L C 2.709 179.529 176.870 -0.083 0.000 1.095 185 L CA 0.920 55.722 54.840 -0.063 0.000 0.770 185 L CB -0.734 41.303 42.059 -0.037 0.000 0.914 185 L HN 0.238 nan 8.230 nan 0.000 0.439 186 R N 1.008 121.468 120.500 -0.067 0.000 2.115 186 R HA -0.205 4.135 4.340 -0.000 0.000 0.239 186 R C 2.332 178.565 176.300 -0.110 0.000 1.133 186 R CA 1.917 57.977 56.100 -0.066 0.000 0.935 186 R CB -0.401 29.875 30.300 -0.040 0.000 0.853 186 R HN 0.298 nan 8.270 nan 0.000 0.433 187 L N -0.149 120.980 121.223 -0.157 0.000 2.141 187 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 187 L C 2.695 179.288 176.870 -0.462 0.000 1.094 187 L CA 1.196 55.866 54.840 -0.284 0.000 0.763 187 L CB -0.391 41.479 42.059 -0.315 0.000 0.908 187 L HN 0.183 nan 8.230 nan 0.000 0.437 188 R N -0.154 120.103 120.500 -0.405 0.000 2.092 188 R HA -0.095 4.245 4.340 -0.000 0.000 0.231 188 R C 2.467 178.645 176.300 -0.204 0.000 1.119 188 R CA 1.085 56.973 56.100 -0.352 0.000 0.970 188 R CB -0.188 29.989 30.300 -0.204 0.000 0.864 188 R HN 0.365 nan 8.270 nan 0.000 0.440 189 R N 0.621 121.032 120.500 -0.147 0.000 2.062 189 R HA -0.090 4.250 4.340 -0.000 0.000 0.229 189 R C 2.070 178.318 176.300 -0.087 0.000 1.128 189 R CA 1.231 57.276 56.100 -0.093 0.000 0.960 189 R CB -0.095 30.165 30.300 -0.067 0.000 0.855 189 R HN 0.288 nan 8.270 nan 0.000 0.432 190 E N 0.623 120.761 120.200 -0.103 0.000 2.171 190 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 190 E C 1.897 178.456 176.600 -0.069 0.000 0.997 190 E CA 1.084 57.438 56.400 -0.076 0.000 0.810 190 E CB -0.051 29.605 29.700 -0.072 0.000 0.738 190 E HN 0.137 nan 8.360 nan 0.000 0.467 191 L N 0.364 121.518 121.223 -0.114 0.000 2.068 191 L HA -0.024 4.316 4.340 -0.000 0.000 0.204 191 L C 2.229 179.080 176.870 -0.032 0.000 1.076 191 L CA 1.577 56.381 54.840 -0.061 0.000 0.753 191 L CB -0.382 41.624 42.059 -0.090 0.000 0.910 191 L HN 0.036 nan 8.230 nan 0.000 0.439 192 A N -1.159 121.631 122.820 -0.051 0.000 1.948 192 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 192 A C 2.174 179.748 177.584 -0.017 0.000 1.177 192 A CA 2.264 54.284 52.037 -0.028 0.000 0.636 192 A CB -0.759 18.219 19.000 -0.037 0.000 0.815 192 A HN 0.554 nan 8.150 nan 0.000 0.449 193 S N -2.189 113.498 115.700 -0.022 0.000 2.540 193 S HA 0.421 4.891 4.470 -0.000 0.000 0.218 193 S C 1.228 175.823 174.600 -0.008 0.000 0.977 193 S CA 0.631 58.822 58.200 -0.014 0.000 0.918 193 S CB 0.523 63.713 63.200 -0.017 0.000 0.806 193 S HN 1.732 nan 8.310 nan 0.000 0.496 194 G N 1.989 110.785 108.800 -0.006 0.000 2.141 194 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.242 194 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.242 194 G C 0.307 175.209 174.900 0.005 0.000 0.982 194 G CA 0.035 45.137 45.100 0.003 0.000 0.662 194 G HN 0.546 nan 8.290 nan 0.000 0.527 195 Q N -1.006 118.793 119.800 -0.002 0.000 2.329 195 Q HA 0.585 4.925 4.340 -0.000 0.000 0.208 195 Q C 0.265 176.271 176.000 0.010 0.000 0.934 195 Q CA 0.381 56.185 55.803 0.001 0.000 0.951 195 Q CB 0.490 29.224 28.738 -0.006 0.000 1.017 195 Q HN 0.456 nan 8.270 nan 0.000 0.490 196 L N -0.176 121.058 121.223 0.018 0.000 2.472 196 L HA 0.268 4.608 4.340 -0.000 0.000 0.260 196 L C -1.138 175.764 176.870 0.054 0.000 0.963 196 L CA -0.717 54.147 54.840 0.039 0.000 0.829 196 L CB 2.340 44.420 42.059 0.035 0.000 1.348 196 L HN -0.044 nan 8.230 nan 0.000 0.408 197 E N 3.927 124.166 120.200 0.065 0.000 1.858 197 E HA 0.056 4.406 4.350 -0.000 0.000 0.278 197 E C -0.025 176.613 176.600 0.064 0.000 1.172 197 E CA -0.276 56.157 56.400 0.054 0.000 1.127 197 E CB 0.083 29.811 29.700 0.046 0.000 1.084 197 E HN 0.459 nan 8.360 nan 0.000 0.455 198 R N 2.281 122.818 120.500 0.062 0.000 2.504 198 R HA -0.005 4.335 4.340 -0.000 0.000 0.291 198 R C -0.891 175.430 176.300 0.036 0.000 0.974 198 R CA 0.631 56.770 56.100 0.065 0.000 1.077 198 R CB 0.411 30.743 30.300 0.053 0.000 0.926 198 R HN 0.359 nan 8.270 nan 0.000 0.407 199 A N 4.771 127.609 122.820 0.029 0.000 2.664 199 A HA 0.550 4.870 4.320 -0.000 0.000 0.338 199 A C 0.222 177.807 177.584 0.001 0.000 1.280 199 A CA 0.008 52.043 52.037 -0.003 0.000 0.809 199 A CB 0.511 19.489 19.000 -0.036 0.000 1.114 199 A HN 1.188 nan 8.150 nan 0.000 0.479 200 G N 2.298 111.104 108.800 0.010 0.000 2.916 200 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.533 200 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.533 200 G C -0.240 174.684 174.900 0.041 0.000 1.516 200 G CA -0.064 45.047 45.100 0.018 0.000 0.944 200 G HN 1.295 nan 8.290 nan 0.000 0.555 201 D N -0.100 120.327 120.400 0.046 0.000 2.377 201 D HA 0.270 4.910 4.640 -0.000 0.000 0.245 201 D C 0.984 177.342 176.300 0.097 0.000 1.196 201 D CA 0.098 54.141 54.000 0.070 0.000 0.962 201 D CB 0.545 41.378 40.800 0.055 0.000 1.127 201 D HN 1.006 nan 8.370 nan 0.000 0.471 202 N N -1.705 117.088 118.700 0.155 0.000 2.717 202 N HA -0.254 4.486 4.740 -0.000 0.000 0.248 202 N C -1.251 174.410 175.510 0.251 0.000 1.099 202 N CA 1.521 54.719 53.050 0.246 0.000 0.843 202 N CB -0.955 37.619 38.487 0.145 0.000 1.155 202 N HN 0.749 nan 8.380 nan 0.000 0.580 203 A N -1.254 121.659 122.820 0.154 0.000 2.475 203 A HA 0.910 5.230 4.320 -0.000 0.000 0.301 203 A C -0.688 176.942 177.584 0.076 0.000 1.059 203 A CA 0.055 52.048 52.037 -0.072 0.000 0.710 203 A CB 1.894 20.831 19.000 -0.104 0.000 1.288 203 A HN 0.670 nan 8.150 nan 0.000 0.408 204 A N 1.428 124.233 122.820 -0.025 0.000 2.401 204 A HA 0.727 5.047 4.320 -0.000 0.000 0.310 204 A C -0.298 177.284 177.584 -0.003 0.000 1.075 204 A CA -0.742 51.356 52.037 0.103 0.000 0.746 204 A CB 0.915 20.103 19.000 0.313 0.000 1.277 204 A HN 0.777 nan 8.150 nan 0.000 0.425 205 K N 0.229 120.636 120.400 0.011 0.000 2.219 205 K HA 0.574 4.894 4.320 -0.000 0.000 0.258 205 K C -0.694 175.906 176.600 -0.001 0.000 1.008 205 K CA -0.226 56.044 56.287 -0.028 0.000 0.928 205 K CB 0.884 33.373 32.500 -0.019 0.000 0.983 205 K HN 0.385 nan 8.250 nan 0.000 0.484 206 V N 0.258 120.156 119.914 -0.026 0.000 3.258 206 V HA 0.254 4.374 4.120 -0.000 0.000 0.299 206 V C -1.022 175.147 176.094 0.125 0.000 1.376 206 V CA -0.869 61.472 62.300 0.069 0.000 1.063 206 V CB 2.650 34.547 31.823 0.123 0.000 1.103 206 V HN 0.883 nan 8.190 nan 0.000 0.451 207 S N 0.847 116.710 115.700 0.272 0.000 2.704 207 S HA 0.903 5.373 4.470 -0.000 0.000 0.296 207 S C -1.499 173.363 174.600 0.436 0.000 1.138 207 S CA -0.567 57.849 58.200 0.359 0.000 0.875 207 S CB 2.119 65.438 63.200 0.198 0.000 1.151 207 S HN 0.596 nan 8.310 nan 0.000 0.500 208 L N 1.900 123.328 121.223 0.343 0.000 2.438 208 L HA 0.544 4.884 4.340 -0.000 0.000 0.270 208 L C -0.947 175.984 176.870 0.101 0.000 0.972 208 L CA -0.215 54.688 54.840 0.105 0.000 0.831 208 L CB 1.557 43.416 42.059 -0.334 0.000 1.273 208 L HN 0.517 nan 8.230 nan 0.000 0.405 209 K N 5.506 125.956 120.400 0.083 0.000 2.240 209 K HA 0.527 4.847 4.320 -0.000 0.000 0.271 209 K C -0.548 176.092 176.600 0.066 0.000 1.018 209 K CA -0.598 55.743 56.287 0.090 0.000 0.874 209 K CB 0.850 33.414 32.500 0.107 0.000 1.098 209 K HN 0.658 nan 8.250 nan 0.000 0.458 210 L N 2.393 123.644 121.223 0.047 0.000 2.506 210 L HA 0.113 4.453 4.340 -0.000 0.000 0.199 210 L C 1.761 178.658 176.870 0.046 0.000 1.178 210 L CA 0.104 54.958 54.840 0.023 0.000 0.868 210 L CB 0.091 42.160 42.059 0.017 0.000 1.451 210 L HN 0.781 nan 8.230 nan 0.000 0.526 211 E N -0.262 119.950 120.200 0.019 0.000 2.473 211 E HA -0.085 4.265 4.350 -0.000 0.000 0.204 211 E C 0.474 177.056 176.600 -0.030 0.000 0.994 211 E CA 0.354 56.752 56.400 -0.003 0.000 0.945 211 E CB 0.084 29.743 29.700 -0.068 0.000 0.990 211 E HN 0.727 nan 8.360 nan 0.000 0.493 212 D N 0.564 120.952 120.400 -0.020 0.000 2.336 212 D HA 0.084 4.724 4.640 -0.000 0.000 0.229 212 D C 1.348 177.648 176.300 -0.001 0.000 1.061 212 D CA 0.661 54.650 54.000 -0.018 0.000 0.875 212 D CB 0.361 41.152 40.800 -0.014 0.000 0.904 212 D HN 0.372 nan 8.370 nan 0.000 0.525 213 G N 0.234 109.041 108.800 0.012 0.000 2.225 213 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.254 213 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.254 213 G C 0.619 175.536 174.900 0.028 0.000 0.988 213 G CA 0.525 45.637 45.100 0.020 0.000 0.625 213 G HN 0.804 nan 8.290 nan 0.000 0.527 214 S N -0.270 115.448 115.700 0.030 0.000 2.634 214 S HA 0.606 5.076 4.470 -0.000 0.000 0.254 214 S C 0.046 174.682 174.600 0.059 0.000 1.299 214 S CA 0.181 58.404 58.200 0.039 0.000 0.974 214 S CB 1.172 64.394 63.200 0.037 0.000 1.001 214 S HN 0.456 nan 8.310 nan 0.000 0.584 215 Q N 0.025 119.866 119.800 0.069 0.000 2.356 215 Q HA 0.320 4.660 4.340 -0.000 0.000 0.270 215 Q C -1.786 174.293 176.000 0.131 0.000 1.058 215 Q CA -0.485 55.373 55.803 0.093 0.000 0.802 215 Q CB 1.971 30.748 28.738 0.065 0.000 1.303 215 Q HN 0.807 nan 8.270 nan 0.000 0.444 216 Y N 5.279 125.594 120.300 0.025 0.000 2.436 216 Y HA 0.186 4.736 4.550 -0.000 0.000 0.343 216 Y C -1.345 174.595 175.900 0.067 0.000 1.008 216 Y CA -1.951 56.167 58.100 0.031 0.000 1.241 216 Y CB 0.919 39.378 38.460 -0.002 0.000 1.153 216 Y HN 0.446 nan 8.280 nan 0.000 0.521 217 P HA -0.120 nan 4.420 nan 0.000 0.234 217 P C -0.540 176.577 177.300 -0.305 0.000 1.162 217 P CA 1.142 64.078 63.100 -0.273 0.000 0.759 217 P CB 0.368 31.910 31.700 -0.262 0.000 0.813 218 L N -0.757 120.177 121.223 -0.481 0.000 2.319 218 L HA 0.417 4.757 4.340 -0.000 0.000 0.267 218 L C 0.496 177.433 176.870 0.113 0.000 1.011 218 L CA -0.996 53.723 54.840 -0.202 0.000 0.818 218 L CB 2.361 44.271 42.059 -0.248 0.000 1.316 218 L HN -0.239 nan 8.230 nan 0.000 0.432 219 E N 0.519 120.736 120.200 0.027 0.000 2.133 219 E HA 0.463 4.813 4.350 -0.000 0.000 0.274 219 E C -0.555 175.868 176.600 -0.296 0.000 0.930 219 E CA -0.450 55.927 56.400 -0.039 0.000 0.770 219 E CB 1.614 31.281 29.700 -0.055 0.000 1.104 219 E HN 0.711 nan 8.360 nan 0.000 0.403 220 G N 3.328 111.654 108.800 -0.790 0.000 2.531 220 G HA2 0.421 4.381 3.960 -0.000 0.000 0.281 220 G HA3 0.421 4.381 3.960 -0.000 0.000 0.281 220 G C -0.688 173.818 174.900 -0.657 0.000 1.382 220 G CA -0.593 43.629 45.100 -1.463 0.000 1.045 220 G HN 0.564 nan 8.290 nan 0.000 0.533 221 R N -1.409 118.772 120.500 -0.531 0.000 2.651 221 R HA 0.549 4.888 4.340 -0.000 0.000 0.278 221 R C -2.153 174.027 176.300 -0.200 0.000 1.010 221 R CA -0.748 55.195 56.100 -0.262 0.000 0.896 221 R CB 1.782 31.968 30.300 -0.190 0.000 1.211 221 R HN 0.435 nan 8.270 nan 0.000 0.456 222 L N 2.816 123.909 121.223 -0.218 0.000 2.349 222 L HA 0.490 4.830 4.340 -0.000 0.000 0.278 222 L C -0.962 175.572 176.870 -0.561 0.000 0.996 222 L CA -0.208 54.460 54.840 -0.287 0.000 0.825 222 L CB 1.781 43.690 42.059 -0.251 0.000 1.243 222 L HN 0.623 nan 8.230 nan 0.000 0.412 223 E N 4.198 124.157 120.200 -0.401 0.000 2.216 223 E HA 0.192 4.542 4.350 -0.000 0.000 0.279 223 E C -0.015 176.337 176.600 -0.413 0.000 0.997 223 E CA -0.036 56.144 56.400 -0.366 0.000 0.817 223 E CB 1.277 30.908 29.700 -0.116 0.000 1.096 223 E HN 0.641 nan 8.360 nan 0.000 0.393 224 F N 0.265 120.229 119.950 0.023 0.000 2.698 224 F HA -0.048 4.479 4.527 0.000 0.000 0.295 224 F C 1.632 177.436 175.800 0.007 0.000 1.124 224 F CA -0.286 57.723 58.000 0.016 0.000 1.426 224 F CB 0.385 39.394 39.000 0.015 0.000 1.120 224 F HN 0.217 nan 8.300 nan 0.000 0.583 225 S N 1.287 117.056 115.700 0.115 0.000 2.549 225 S HA 0.083 4.553 4.470 -0.000 0.000 0.286 225 S C -0.259 174.360 174.600 0.031 0.000 1.314 225 S CA -0.857 57.381 58.200 0.064 0.000 1.062 225 S CB 0.462 63.684 63.200 0.035 0.000 0.865 225 S HN 0.130 nan 8.310 nan 0.000 0.498 226 E N 2.987 123.202 120.200 0.026 0.000 2.259 226 E HA 0.393 4.743 4.350 -0.000 0.000 0.281 226 E C 0.401 176.986 176.600 -0.024 0.000 1.027 226 E CA -0.674 55.729 56.400 0.006 0.000 0.838 226 E CB 1.148 30.856 29.700 0.013 0.000 1.066 226 E HN 0.348 nan 8.360 nan 0.000 0.401 227 V N 1.423 121.308 119.914 -0.048 0.000 2.521 227 V HA 0.061 4.181 4.120 -0.000 0.000 0.239 227 V C 0.564 176.621 176.094 -0.062 0.000 1.053 227 V CA 1.256 63.511 62.300 -0.076 0.000 1.073 227 V CB 0.722 32.465 31.823 -0.133 0.000 0.746 227 V HN 0.654 nan 8.190 nan 0.000 0.476 228 S N -0.283 115.385 115.700 -0.053 0.000 2.513 228 S HA 0.648 5.118 4.470 -0.000 0.000 0.299 228 S C -1.177 173.406 174.600 -0.028 0.000 1.087 228 S CA -0.486 57.689 58.200 -0.043 0.000 1.012 228 S CB 1.859 65.030 63.200 -0.049 0.000 1.044 228 S HN 0.030 nan 8.310 nan 0.000 0.485 229 V N 4.045 123.946 119.914 -0.022 0.000 2.409 229 V HA 0.380 4.500 4.120 -0.000 0.000 0.290 229 V C -0.222 175.863 176.094 -0.015 0.000 1.017 229 V CA -0.907 61.384 62.300 -0.014 0.000 0.841 229 V CB 1.169 32.986 31.823 -0.010 0.000 1.003 229 V HN 0.988 nan 8.190 nan 0.000 0.426 230 D N 2.788 123.180 120.400 -0.013 0.000 2.399 230 D HA 0.123 4.763 4.640 -0.000 0.000 0.241 230 D C 0.957 177.251 176.300 -0.009 0.000 1.133 230 D CA 0.174 54.166 54.000 -0.012 0.000 0.890 230 D CB 1.150 41.943 40.800 -0.012 0.000 1.201 230 D HN 0.643 nan 8.370 nan 0.000 0.432 231 E N 2.178 122.372 120.200 -0.009 0.000 2.290 231 E HA 0.042 4.392 4.350 -0.000 0.000 0.197 231 E C 1.565 178.161 176.600 -0.006 0.000 0.948 231 E CA 0.300 56.695 56.400 -0.007 0.000 0.895 231 E CB 0.102 29.798 29.700 -0.008 0.000 0.865 231 E HN 0.663 nan 8.360 nan 0.000 0.486 232 G N 1.218 110.015 108.800 -0.006 0.000 2.879 232 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.200 232 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.200 232 G C 0.530 175.428 174.900 -0.003 0.000 1.437 232 G CA 1.471 46.568 45.100 -0.005 0.000 0.835 232 G HN 0.370 nan 8.290 nan 0.000 0.640 233 T N -0.569 113.983 114.554 -0.003 0.000 2.871 233 T HA 0.361 4.711 4.350 -0.000 0.000 0.296 233 T C 1.528 176.227 174.700 -0.001 0.000 0.998 233 T CA 0.295 62.395 62.100 -0.001 0.000 1.162 233 T CB 1.328 70.196 68.868 -0.001 0.000 0.947 233 T HN 0.536 nan 8.240 nan 0.000 0.536 234 G N 2.976 111.776 108.800 0.000 0.000 2.564 234 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.217 234 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.217 234 G C 0.754 175.655 174.900 0.002 0.000 1.120 234 G CA 0.244 45.344 45.100 0.000 0.000 0.752 234 G HN 1.073 nan 8.290 nan 0.000 0.558 235 S N -0.401 115.301 115.700 0.002 0.000 2.558 235 S HA 0.317 4.787 4.470 -0.000 0.000 0.293 235 S C -0.111 174.490 174.600 0.002 0.000 1.292 235 S CA -0.658 57.545 58.200 0.004 0.000 1.063 235 S CB 1.798 65.000 63.200 0.004 0.000 0.831 235 S HN 0.116 nan 8.310 nan 0.000 0.499 236 V N 2.715 122.634 119.914 0.008 0.000 2.581 236 V HA 0.484 4.604 4.120 -0.000 0.000 0.303 236 V C 0.407 176.504 176.094 0.006 0.000 1.041 236 V CA -0.787 61.517 62.300 0.007 0.000 0.907 236 V CB 1.895 33.729 31.823 0.018 0.000 0.994 236 V HN 0.999 nan 8.190 nan 0.000 0.442 237 T N 5.726 120.275 114.554 -0.008 0.000 2.767 237 T HA 0.705 5.055 4.350 -0.000 0.000 0.284 237 T C -0.176 174.514 174.700 -0.017 0.000 0.973 237 T CA -0.047 62.043 62.100 -0.017 0.000 0.996 237 T CB 0.667 69.511 68.868 -0.040 0.000 0.927 237 T HN 0.623 nan 8.240 nan 0.000 0.456 238 I N 0.225 120.791 120.570 -0.006 0.000 3.170 238 I HA 0.774 4.944 4.170 -0.000 0.000 0.312 238 I C -0.425 175.666 176.117 -0.042 0.000 1.085 238 I CA -1.435 59.857 61.300 -0.014 0.000 0.999 238 I CB 1.737 39.760 38.000 0.040 0.000 1.233 238 I HN 0.201 nan 8.210 nan 0.000 0.467 239 R N 1.830 122.292 120.500 -0.064 0.000 2.534 239 R HA 0.759 5.099 4.340 -0.000 0.000 0.301 239 R C -1.131 175.193 176.300 0.040 0.000 0.961 239 R CA -0.918 55.154 56.100 -0.048 0.000 0.871 239 R CB 2.175 32.347 30.300 -0.212 0.000 1.170 239 R HN 0.920 nan 8.270 nan 0.000 0.446 240 A N 2.603 125.510 122.820 0.145 0.000 2.312 240 A HA 0.582 4.902 4.320 -0.000 0.000 0.326 240 A C -0.359 177.443 177.584 0.364 0.000 1.172 240 A CA -0.598 51.569 52.037 0.217 0.000 0.821 240 A CB 1.230 20.436 19.000 0.344 0.000 1.166 240 A HN 0.403 nan 8.150 nan 0.000 0.493 241 V N 2.239 122.278 119.914 0.209 0.000 2.334 241 V HA 0.435 4.555 4.120 -0.000 0.000 0.281 241 V C -1.147 174.931 176.094 -0.026 0.000 1.016 241 V CA -0.180 62.204 62.300 0.140 0.000 0.832 241 V CB 0.248 32.097 31.823 0.044 0.000 0.999 241 V HN 0.667 nan 8.190 nan 0.000 0.439 242 F N 5.560 125.483 119.950 -0.044 0.000 2.444 242 F HA 0.580 5.107 4.527 -0.000 0.000 0.342 242 F C -2.103 173.675 175.800 -0.037 0.000 1.121 242 F CA -2.695 55.302 58.000 -0.005 0.000 0.997 242 F CB 1.934 40.937 39.000 0.005 0.000 1.130 242 F HN 0.313 nan 8.300 nan 0.000 0.454 243 P HA -0.013 nan 4.420 nan 0.000 0.265 243 P C -0.468 176.956 177.300 0.207 0.000 1.187 243 P CA 0.395 63.537 63.100 0.071 0.000 0.766 243 P CB 0.411 32.133 31.700 0.037 0.000 0.820 244 N N 2.866 121.631 118.700 0.107 0.000 2.666 244 N HA 0.162 4.902 4.740 -0.000 0.000 0.253 244 N C -2.189 173.363 175.510 0.069 0.000 1.621 244 N CA -1.557 51.579 53.050 0.143 0.000 0.785 244 N CB 0.382 38.901 38.487 0.054 0.000 1.332 244 N HN 0.110 nan 8.380 nan 0.000 0.514 245 P HA 0.030 nan 4.420 nan 0.000 0.227 245 P C -0.172 177.143 177.300 0.025 0.000 1.161 245 P CA 0.625 63.738 63.100 0.021 0.000 0.788 245 P CB 0.543 32.247 31.700 0.007 0.000 0.822 246 N N 0.271 118.999 118.700 0.046 0.000 2.476 246 N HA 0.075 4.815 4.740 -0.000 0.000 0.287 246 N C 0.187 175.727 175.510 0.049 0.000 1.262 246 N CA -0.386 52.690 53.050 0.043 0.000 0.980 246 N CB 0.267 38.784 38.487 0.050 0.000 1.163 246 N HN -0.045 nan 8.380 nan 0.000 0.592 247 N N 0.813 119.536 118.700 0.040 0.000 2.714 247 N HA 0.040 4.780 4.740 -0.000 0.000 0.298 247 N C 0.141 175.672 175.510 0.035 0.000 1.298 247 N CA -0.038 53.030 53.050 0.030 0.000 1.007 247 N CB 0.429 38.926 38.487 0.018 0.000 1.318 247 N HN 0.441 nan 8.380 nan 0.000 0.516 248 E N -0.134 120.107 120.200 0.069 0.000 2.046 248 E HA -0.014 4.336 4.350 -0.000 0.000 0.190 248 E C 0.240 176.845 176.600 0.008 0.000 0.982 248 E CA 0.667 57.117 56.400 0.083 0.000 0.800 248 E CB 0.340 30.167 29.700 0.212 0.000 0.756 248 E HN 0.397 nan 8.360 nan 0.000 0.449 249 L N 2.464 123.653 121.223 -0.058 0.000 2.281 249 L HA 0.300 4.640 4.340 -0.000 0.000 0.285 249 L C -0.238 176.584 176.870 -0.080 0.000 1.074 249 L CA -0.257 54.490 54.840 -0.155 0.000 0.817 249 L CB 0.517 42.374 42.059 -0.336 0.000 1.168 249 L HN 0.032 nan 8.230 nan 0.000 0.434 250 L N 4.556 125.742 121.223 -0.062 0.000 2.319 250 L HA 0.593 4.933 4.340 -0.000 0.000 0.267 250 L C -2.296 174.553 176.870 -0.034 0.000 1.011 250 L CA -2.209 52.612 54.840 -0.032 0.000 0.818 250 L CB 1.953 44.005 42.059 -0.012 0.000 1.316 250 L HN 0.318 nan 8.230 nan 0.000 0.432 251 P HA 0.115 nan 4.420 nan 0.000 0.269 251 P C 0.608 177.891 177.300 -0.027 0.000 1.215 251 P CA 0.434 63.522 63.100 -0.020 0.000 0.780 251 P CB 0.634 32.331 31.700 -0.006 0.000 0.898 252 G N 0.313 109.080 108.800 -0.054 0.000 2.159 252 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.256 252 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.256 252 G C 0.065 174.918 174.900 -0.078 0.000 0.977 252 G CA -0.151 44.895 45.100 -0.090 0.000 0.652 252 G HN 0.435 nan 8.290 nan 0.000 0.531 253 M N 0.664 120.256 119.600 -0.014 0.000 2.200 253 M HA 0.501 4.981 4.480 -0.000 0.000 0.355 253 M C 0.024 176.385 176.300 0.102 0.000 1.283 253 M CA -0.363 55.006 55.300 0.115 0.000 1.124 253 M CB 0.294 32.916 32.600 0.037 0.000 1.625 253 M HN 0.050 nan 8.290 nan 0.000 0.463 254 F N 3.458 123.360 119.950 -0.081 0.000 2.471 254 F HA 0.426 4.953 4.527 -0.000 0.000 0.365 254 F C 0.409 176.129 175.800 -0.132 0.000 1.095 254 F CA -1.075 56.862 58.000 -0.105 0.000 1.174 254 F CB -0.571 38.383 39.000 -0.077 0.000 1.105 254 F HN 0.330 nan 8.300 nan 0.000 0.535 255 V N 0.292 120.185 119.914 -0.034 0.000 3.158 255 V HA 0.634 4.754 4.120 -0.000 0.000 0.311 255 V C -1.035 174.901 176.094 -0.264 0.000 1.181 255 V CA -0.857 61.383 62.300 -0.101 0.000 1.054 255 V CB 2.658 34.401 31.823 -0.132 0.000 1.085 255 V HN 0.662 nan 8.190 nan 0.000 0.446 256 H N 0.807 119.870 119.070 -0.012 0.000 2.823 256 H HA 0.739 5.295 4.556 -0.000 0.000 0.332 256 H C -0.207 175.130 175.328 0.015 0.000 0.980 256 H CA 0.215 56.270 56.048 0.012 0.000 1.286 256 H CB 1.823 31.602 29.762 0.028 0.000 1.541 256 H HN 1.158 nan 8.280 nan 0.000 0.521 257 A N 3.974 126.888 122.820 0.156 0.000 2.320 257 A HA 0.291 4.611 4.320 -0.000 0.000 0.287 257 A C 0.064 177.762 177.584 0.189 0.000 1.181 257 A CA -0.500 51.645 52.037 0.180 0.000 0.831 257 A CB 0.361 19.474 19.000 0.189 0.000 1.102 257 A HN 0.715 nan 8.150 nan 0.000 0.513 258 Q N 1.179 121.090 119.800 0.185 0.000 2.368 258 Q HA 0.542 4.882 4.340 -0.000 0.000 0.256 258 Q C -1.107 174.972 176.000 0.131 0.000 0.980 258 Q CA -0.215 55.671 55.803 0.139 0.000 0.887 258 Q CB 1.823 30.633 28.738 0.120 0.000 1.221 258 Q HN 0.660 nan 8.270 nan 0.000 0.458 259 L N 1.670 122.962 121.223 0.115 0.000 2.386 259 L HA 0.400 4.740 4.340 -0.000 0.000 0.271 259 L C -0.781 176.139 176.870 0.084 0.000 0.993 259 L CA -0.382 54.524 54.840 0.110 0.000 0.819 259 L CB 1.781 43.923 42.059 0.138 0.000 1.294 259 L HN 0.494 nan 8.230 nan 0.000 0.414 260 Q N 0.000 119.844 119.800 0.074 0.000 2.315 260 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 260 Q CA 0.000 55.835 55.803 0.054 0.000 1.022 260 Q CB 0.000 28.765 28.738 0.045 0.000 1.108 260 Q HN 0.000 nan 8.270 nan 0.000 0.481