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_G DATA FIRST_RESID 25 DATA SEQUENCE VTLNTELPGR TNAFRIAEVR PQVNGIILKR LFKEGSDVKA GQQLYQIDPA DATA SEQUENCE TYEADYQSAQ ANLASTQEQA QRYKLLVADQ AVSKQQYADA NAAYLQSKAA DATA SEQUENCE VEQARINLRY TKVLSPISGR IGRSAVTEGA LVTNGQANAM ATVQQLDPIY DATA SEQUENCE VDVTQPSTAL LRLRRELASG QLERAGDNAA KVSLKLEDGS QYPLEGRLEF DATA SEQUENCE SEVSVDEGTG SVTIRAVFPN PNNELLPGMF VHAQLQE 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 25 V HA 0.000 nan 4.120 nan 0.000 0.244 25 V C 0.000 176.101 176.094 0.012 0.000 1.182 25 V CA 0.000 62.306 62.300 0.010 0.000 1.235 25 V CB 0.000 31.829 31.823 0.009 0.000 1.184 26 T N 0.788 115.350 114.554 0.014 0.000 2.799 26 T HA 0.779 5.129 4.350 -0.000 0.000 0.286 26 T C -0.878 173.834 174.700 0.020 0.000 0.973 26 T CA -0.297 61.813 62.100 0.017 0.000 1.035 26 T CB 0.918 69.797 68.868 0.018 0.000 0.932 26 T HN 0.500 nan 8.240 nan 0.000 0.469 27 L N 4.123 125.360 121.223 0.022 0.000 2.261 27 L HA 0.425 4.765 4.340 -0.000 0.000 0.289 27 L C 0.261 177.151 176.870 0.033 0.000 1.059 27 L CA -0.250 54.606 54.840 0.025 0.000 0.816 27 L CB 0.084 42.158 42.059 0.024 0.000 1.191 27 L HN 0.635 nan 8.230 nan 0.000 0.431 28 N N 1.969 120.689 118.700 0.034 0.000 2.442 28 N HA 0.410 5.150 4.740 -0.000 0.000 0.274 28 N C -0.876 174.661 175.510 0.046 0.000 1.002 28 N CA -0.417 52.658 53.050 0.041 0.000 0.910 28 N CB 2.149 40.657 38.487 0.035 0.000 1.244 28 N HN 0.411 nan 8.380 nan 0.000 0.492 29 T N 1.210 115.800 114.554 0.060 0.000 2.874 29 T HA 0.266 4.616 4.350 -0.000 0.000 0.321 29 T C 0.165 174.915 174.700 0.083 0.000 1.075 29 T CA -0.646 61.495 62.100 0.069 0.000 0.966 29 T CB 1.063 69.976 68.868 0.076 0.000 1.001 29 T HN 0.236 nan 8.240 nan 0.000 0.476 30 E N 2.867 123.116 120.200 0.082 0.000 2.313 30 E HA 0.414 4.764 4.350 -0.000 0.000 0.276 30 E C -0.626 176.059 176.600 0.140 0.000 1.031 30 E CA -0.478 55.988 56.400 0.110 0.000 0.857 30 E CB 1.299 31.051 29.700 0.086 0.000 1.040 30 E HN 0.486 nan 8.360 nan 0.000 0.408 31 L N 4.764 126.081 121.223 0.156 0.000 2.372 31 L HA 0.361 4.701 4.340 -0.000 0.000 0.274 31 L C -2.329 174.580 176.870 0.064 0.000 0.988 31 L CA -2.378 52.532 54.840 0.117 0.000 0.833 31 L CB 1.881 43.992 42.059 0.088 0.000 1.236 31 L HN 0.283 nan 8.230 nan 0.000 0.410 32 P HA 0.337 nan 4.420 nan 0.000 0.271 32 P C -0.247 176.983 177.300 -0.116 0.000 1.216 32 P CA 0.112 63.095 63.100 -0.195 0.000 0.776 32 P CB 1.559 33.215 31.700 -0.074 0.000 0.881 33 G N 1.351 110.057 108.800 -0.156 0.000 2.411 33 G HA2 0.381 4.341 3.960 -0.000 0.000 0.295 33 G HA3 0.381 4.341 3.960 -0.000 0.000 0.295 33 G C -1.824 173.006 174.900 -0.116 0.000 1.542 33 G CA -0.792 44.255 45.100 -0.088 0.000 0.814 33 G HN 0.518 nan 8.290 nan 0.000 0.557 34 R N -0.150 120.278 120.500 -0.120 0.000 2.604 34 R HA 0.687 5.027 4.340 -0.000 0.000 0.287 34 R C 0.578 176.791 176.300 -0.145 0.000 0.970 34 R CA -0.380 55.598 56.100 -0.203 0.000 0.946 34 R CB 1.167 31.301 30.300 -0.276 0.000 1.127 34 R HN 0.710 nan 8.270 nan 0.000 0.473 35 T N 1.113 115.564 114.554 -0.172 0.000 2.918 35 T HA 0.291 4.641 4.350 -0.000 0.000 0.302 35 T C -0.062 174.605 174.700 -0.054 0.000 1.045 35 T CA -0.644 61.398 62.100 -0.097 0.000 1.114 35 T CB 0.590 69.384 68.868 -0.124 0.000 0.965 35 T HN 0.442 nan 8.240 nan 0.000 0.540 36 N N 0.037 118.764 118.700 0.045 0.000 2.331 36 N HA 0.493 5.233 4.740 -0.000 0.000 0.280 36 N C -0.655 174.948 175.510 0.155 0.000 1.155 36 N CA -0.655 52.445 53.050 0.083 0.000 0.822 36 N CB 2.263 40.814 38.487 0.107 0.000 1.619 36 N HN 0.950 nan 8.380 nan 0.000 0.476 37 A N 0.974 123.861 122.820 0.112 0.000 2.561 37 A HA 0.009 4.329 4.320 -0.000 0.000 0.234 37 A C 0.909 178.623 177.584 0.217 0.000 1.055 37 A CA 0.171 52.282 52.037 0.122 0.000 0.756 37 A CB -0.200 18.842 19.000 0.070 0.000 0.986 37 A HN 0.688 nan 8.150 nan 0.000 0.505 38 F N 1.272 121.172 119.950 -0.083 0.000 2.186 38 F HA 0.077 4.604 4.527 -0.000 0.000 0.299 38 F C 1.331 177.122 175.800 -0.015 0.000 1.090 38 F CA 1.655 59.503 58.000 -0.254 0.000 1.307 38 F CB 0.091 38.877 39.000 -0.358 0.000 1.019 38 F HN 0.597 nan 8.300 nan 0.000 0.489 39 R N -0.300 120.222 120.500 0.036 0.000 2.566 39 R HA 0.494 4.834 4.340 -0.000 0.000 0.271 39 R C -1.617 174.691 176.300 0.014 0.000 1.071 39 R CA -0.574 55.515 56.100 -0.018 0.000 0.915 39 R CB 2.200 32.487 30.300 -0.022 0.000 1.228 39 R HN -0.072 nan 8.270 nan 0.000 0.449 40 I N 1.744 122.312 120.570 -0.003 0.000 2.569 40 I HA 0.727 4.897 4.170 -0.000 0.000 0.296 40 I C -0.568 175.540 176.117 -0.015 0.000 1.028 40 I CA -0.822 60.475 61.300 -0.005 0.000 1.082 40 I CB 2.192 40.190 38.000 -0.002 0.000 1.264 40 I HN 0.660 nan 8.210 nan 0.000 0.429 41 A N 4.667 127.476 122.820 -0.018 0.000 2.549 41 A HA 0.672 4.992 4.320 -0.000 0.000 0.297 41 A C -1.170 176.400 177.584 -0.024 0.000 1.061 41 A CA -0.649 51.374 52.037 -0.022 0.000 0.690 41 A CB 1.532 20.518 19.000 -0.023 0.000 1.287 41 A HN 0.724 nan 8.150 nan 0.000 0.402 42 E N 0.258 120.445 120.200 -0.022 0.000 2.242 42 E HA 0.525 4.875 4.350 -0.000 0.000 0.275 42 E C -0.979 175.609 176.600 -0.019 0.000 1.002 42 E CA -0.792 55.597 56.400 -0.019 0.000 0.841 42 E CB 2.077 31.766 29.700 -0.019 0.000 1.109 42 E HN 0.350 nan 8.360 nan 0.000 0.394 43 V N 3.342 123.253 119.914 -0.005 0.000 2.347 43 V HA 0.407 4.527 4.120 -0.000 0.000 0.280 43 V C -0.099 175.996 176.094 0.001 0.000 1.021 43 V CA -0.557 61.753 62.300 0.016 0.000 0.847 43 V CB 0.626 32.492 31.823 0.071 0.000 0.990 43 V HN 0.575 nan 8.190 nan 0.000 0.444 44 R N 5.194 125.672 120.500 -0.036 0.000 2.744 44 R HA 0.595 4.935 4.340 -0.000 0.000 0.279 44 R C -2.870 173.361 176.300 -0.115 0.000 0.977 44 R CA -1.734 54.318 56.100 -0.080 0.000 0.906 44 R CB 2.880 33.129 30.300 -0.085 0.000 1.197 44 R HN 0.440 nan 8.270 nan 0.000 0.463 45 P HA 0.195 nan 4.420 nan 0.000 0.281 45 P C -0.848 176.320 177.300 -0.220 0.000 1.249 45 P CA -0.401 62.602 63.100 -0.161 0.000 0.810 45 P CB 1.231 32.841 31.700 -0.149 0.000 1.008 46 Q N -0.136 119.474 119.800 -0.317 0.000 2.127 46 Q HA 0.334 4.673 4.340 -0.000 0.000 0.222 46 Q C -0.316 175.488 176.000 -0.327 0.000 0.794 46 Q CA -0.127 55.382 55.803 -0.489 0.000 1.010 46 Q CB 1.395 29.443 28.738 -1.150 0.000 1.170 46 Q HN 0.191 nan 8.270 nan 0.000 0.479 47 V N 1.001 120.802 119.914 -0.187 0.000 2.925 47 V HA 0.368 4.488 4.120 -0.000 0.000 0.311 47 V C -1.314 174.766 176.094 -0.024 0.000 1.104 47 V CA -0.977 61.255 62.300 -0.114 0.000 0.954 47 V CB 2.304 33.957 31.823 -0.283 0.000 1.022 47 V HN 0.227 nan 8.190 nan 0.000 0.427 48 N N 3.218 121.971 118.700 0.089 0.000 2.520 48 N HA 0.673 5.413 4.740 -0.000 0.000 0.273 48 N C 0.158 175.776 175.510 0.180 0.000 1.155 48 N CA 0.696 53.810 53.050 0.106 0.000 0.967 48 N CB 1.568 40.115 38.487 0.100 0.000 1.092 48 N HN 1.125 nan 8.380 nan 0.000 0.457 49 G N 0.310 109.172 108.800 0.104 0.000 2.317 49 G HA2 0.199 4.159 3.960 -0.000 0.000 0.293 49 G HA3 0.199 4.159 3.960 -0.000 0.000 0.293 49 G C -1.500 173.435 174.900 0.058 0.000 1.287 49 G CA -0.703 44.468 45.100 0.118 0.000 0.850 49 G HN 0.301 nan 8.290 nan 0.000 0.515 50 I N 1.191 121.797 120.570 0.060 0.000 2.440 50 I HA 0.332 4.502 4.170 -0.000 0.000 0.294 50 I C 0.435 176.576 176.117 0.040 0.000 0.995 50 I CA -0.859 60.463 61.300 0.037 0.000 1.306 50 I CB 1.413 39.435 38.000 0.036 0.000 1.407 50 I HN 0.258 nan 8.210 nan 0.000 0.501 51 I N 6.642 127.227 120.570 0.025 0.000 2.389 51 I HA -0.051 4.119 4.170 -0.000 0.000 0.295 51 I C 1.136 177.294 176.117 0.069 0.000 1.117 51 I CA 0.026 61.355 61.300 0.048 0.000 1.317 51 I CB 0.438 38.461 38.000 0.038 0.000 1.431 51 I HN 0.520 nan 8.210 nan 0.000 0.521 52 L N 6.747 128.018 121.223 0.080 0.000 2.072 52 L HA 0.049 4.389 4.340 -0.000 0.000 0.205 52 L C 0.957 177.870 176.870 0.072 0.000 1.079 52 L CA 1.728 56.609 54.840 0.069 0.000 0.752 52 L CB -0.136 41.965 42.059 0.069 0.000 0.906 52 L HN 0.548 nan 8.230 nan 0.000 0.436 53 K N -2.377 118.084 120.400 0.103 0.000 2.527 53 K HA 0.258 4.578 4.320 -0.000 0.000 0.260 53 K C 0.405 177.078 176.600 0.121 0.000 0.937 53 K CA -0.596 55.740 56.287 0.082 0.000 0.826 53 K CB 1.938 34.469 32.500 0.052 0.000 1.359 53 K HN -0.215 nan 8.250 nan 0.000 0.434 54 R N 2.479 122.989 120.500 0.015 0.000 2.112 54 R HA 0.188 4.528 4.340 -0.000 0.000 0.216 54 R C 0.713 176.878 176.300 -0.224 0.000 1.080 54 R CA 1.475 57.481 56.100 -0.157 0.000 0.996 54 R CB -0.017 30.093 30.300 -0.317 0.000 0.902 54 R HN 0.795 nan 8.270 nan 0.000 0.449 55 L N -1.462 119.685 121.223 -0.128 0.000 5.308 55 L HA -0.288 4.052 4.340 -0.000 0.000 0.421 55 L C -0.159 176.708 176.870 -0.004 0.000 0.927 55 L CA 1.067 55.879 54.840 -0.047 0.000 1.529 55 L CB -1.814 40.251 42.059 0.011 0.000 1.599 55 L HN 0.264 nan 8.230 nan 0.000 0.629 56 F N -0.062 119.785 119.950 -0.171 0.000 2.561 56 F HA 0.695 5.222 4.527 -0.000 0.000 0.321 56 F C 0.112 175.850 175.800 -0.103 0.000 1.065 56 F CA -1.392 56.525 58.000 -0.138 0.000 0.934 56 F CB 1.303 40.199 39.000 -0.173 0.000 1.215 56 F HN -0.123 nan 8.300 nan 0.000 0.471 57 K N 2.810 123.230 120.400 0.034 0.000 2.258 57 K HA 0.195 4.515 4.320 -0.000 0.000 0.284 57 K C -0.463 176.217 176.600 0.135 0.000 1.051 57 K CA -0.294 55.978 56.287 -0.025 0.000 0.923 57 K CB 0.627 33.133 32.500 0.009 0.000 1.046 57 K HN 0.850 nan 8.250 nan 0.000 0.474 58 E N 2.042 122.261 120.200 0.032 0.000 2.452 58 E HA -0.034 4.316 4.350 -0.000 0.000 0.261 58 E C 0.838 177.513 176.600 0.125 0.000 0.987 58 E CA 1.048 57.548 56.400 0.167 0.000 0.926 58 E CB 0.341 30.085 29.700 0.074 0.000 0.934 58 E HN 0.969 nan 8.360 nan 0.000 0.452 59 G N 2.441 111.320 108.800 0.131 0.000 2.234 59 G HA2 -0.361 3.598 3.960 -0.000 0.000 0.260 59 G HA3 -0.361 3.598 3.960 -0.000 0.000 0.260 59 G C 0.495 175.431 174.900 0.060 0.000 0.987 59 G CA 0.523 45.667 45.100 0.074 0.000 0.625 59 G HN 0.702 nan 8.290 nan 0.000 0.532 60 S N 0.121 115.871 115.700 0.084 0.000 2.661 60 S HA 0.591 5.061 4.470 -0.000 0.000 0.265 60 S C -0.283 174.335 174.600 0.029 0.000 1.225 60 S CA -0.167 58.067 58.200 0.058 0.000 0.986 60 S CB 1.464 64.708 63.200 0.073 0.000 1.008 60 S HN 0.187 nan 8.310 nan 0.000 0.565 61 D N 0.522 120.931 120.400 0.015 0.000 2.210 61 D HA 0.559 5.199 4.640 -0.000 0.000 0.249 61 D C -0.161 176.130 176.300 -0.015 0.000 1.062 61 D CA -0.277 53.720 54.000 -0.005 0.000 0.891 61 D CB 1.644 42.442 40.800 -0.004 0.000 1.186 61 D HN 0.622 nan 8.370 nan 0.000 0.432 62 V N -1.369 118.523 119.914 -0.038 0.000 3.007 62 V HA 0.603 4.723 4.120 -0.000 0.000 0.311 62 V C -0.692 175.377 176.094 -0.041 0.000 1.120 62 V CA -1.034 61.235 62.300 -0.052 0.000 0.980 62 V CB 2.652 34.406 31.823 -0.116 0.000 1.033 62 V HN 0.207 nan 8.190 nan 0.000 0.429 63 K N 2.026 122.406 120.400 -0.034 0.000 2.138 63 K HA 0.739 5.058 4.320 -0.000 0.000 0.263 63 K C 0.241 176.825 176.600 -0.026 0.000 0.965 63 K CA -0.115 56.158 56.287 -0.024 0.000 0.868 63 K CB 1.987 34.478 32.500 -0.015 0.000 1.083 63 K HN 1.251 nan 8.250 nan 0.000 0.443 64 A N 0.945 123.754 122.820 -0.019 0.000 2.598 64 A HA 0.263 4.583 4.320 -0.000 0.000 0.239 64 A C 1.325 178.902 177.584 -0.011 0.000 1.032 64 A CA 1.451 53.480 52.037 -0.014 0.000 0.760 64 A CB -0.830 18.166 19.000 -0.006 0.000 0.946 64 A HN 0.993 nan 8.150 nan 0.000 0.512 65 G N 0.745 109.540 108.800 -0.008 0.000 2.205 65 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.261 65 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.261 65 G C 0.442 175.340 174.900 -0.002 0.000 0.980 65 G CA 0.686 45.785 45.100 -0.002 0.000 0.632 65 G HN 1.247 nan 8.290 nan 0.000 0.533 66 Q N 0.735 120.528 119.800 -0.011 0.000 2.311 66 Q HA 0.303 4.643 4.340 -0.000 0.000 0.272 66 Q C 0.548 176.546 176.000 -0.005 0.000 1.012 66 Q CA -0.105 55.692 55.803 -0.010 0.000 0.891 66 Q CB 0.291 29.016 28.738 -0.022 0.000 1.201 66 Q HN 0.532 nan 8.270 nan 0.000 0.391 67 Q N 4.070 123.878 119.800 0.012 0.000 2.271 67 Q HA 0.022 4.362 4.340 -0.000 0.000 0.273 67 Q C 0.067 176.084 176.000 0.028 0.000 1.051 67 Q CA 0.054 55.876 55.803 0.031 0.000 0.901 67 Q CB 0.570 29.333 28.738 0.041 0.000 1.174 67 Q HN 0.820 nan 8.270 nan 0.000 0.385 68 L N 4.054 125.295 121.223 0.030 0.000 2.470 68 L HA 0.185 4.525 4.340 -0.000 0.000 0.219 68 L C -0.343 176.464 176.870 -0.106 0.000 1.071 68 L CA 0.215 55.035 54.840 -0.034 0.000 0.850 68 L CB 0.357 42.306 42.059 -0.182 0.000 1.040 68 L HN 0.602 nan 8.230 nan 0.000 0.475 69 Y N -1.311 119.073 120.300 0.140 0.000 2.597 69 Y HA 0.492 5.042 4.550 -0.000 0.000 0.340 69 Y C -0.527 175.416 175.900 0.071 0.000 1.097 69 Y CA -1.135 57.033 58.100 0.114 0.000 1.037 69 Y CB 1.607 40.131 38.460 0.107 0.000 1.305 69 Y HN -0.233 nan 8.280 nan 0.000 0.463 70 Q N 2.148 122.091 119.800 0.237 0.000 2.348 70 Q HA 0.576 4.915 4.340 -0.000 0.000 0.265 70 Q C -1.583 174.500 176.000 0.137 0.000 0.998 70 Q CA -0.157 55.736 55.803 0.151 0.000 0.831 70 Q CB 0.947 29.749 28.738 0.106 0.000 1.251 70 Q HN 0.640 nan 8.270 nan 0.000 0.456 71 I N 2.540 123.176 120.570 0.110 0.000 2.440 71 I HA 0.167 4.337 4.170 -0.000 0.000 0.294 71 I C 0.074 176.262 176.117 0.119 0.000 0.995 71 I CA -0.818 60.539 61.300 0.095 0.000 1.306 71 I CB 1.198 39.237 38.000 0.065 0.000 1.407 71 I HN 0.692 nan 8.210 nan 0.000 0.501 72 D N 7.994 128.467 120.400 0.123 0.000 2.479 72 D HA 0.002 4.642 4.640 -0.000 0.000 0.257 72 D C -1.621 174.794 176.300 0.193 0.000 1.230 72 D CA -0.841 53.234 54.000 0.124 0.000 0.912 72 D CB 0.807 41.658 40.800 0.086 0.000 1.130 72 D HN 0.214 nan 8.370 nan 0.000 0.515 73 P HA 0.124 nan 4.420 nan 0.000 0.261 73 P C 0.850 178.247 177.300 0.162 0.000 1.268 73 P CA 0.033 63.268 63.100 0.226 0.000 0.833 73 P CB 0.425 32.215 31.700 0.150 0.000 1.231 74 A N 1.292 124.162 122.820 0.084 0.000 1.892 74 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 74 A C 2.302 179.881 177.584 -0.009 0.000 1.188 74 A CA 3.025 55.083 52.037 0.035 0.000 0.631 74 A CB -1.935 17.073 19.000 0.014 0.000 0.822 74 A HN 0.385 nan 8.150 nan 0.000 0.447 75 T N -3.810 110.680 114.554 -0.107 0.000 2.904 75 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 75 T C 1.770 176.339 174.700 -0.218 0.000 1.059 75 T CA 1.372 63.340 62.100 -0.220 0.000 1.137 75 T CB -0.575 68.056 68.868 -0.395 0.000 0.879 75 T HN 0.516 nan 8.240 nan 0.000 0.467 76 Y N 1.814 122.142 120.300 0.048 0.000 2.220 76 Y HA 0.064 4.614 4.550 -0.000 0.000 0.291 76 Y C 2.848 178.802 175.900 0.089 0.000 1.129 76 Y CA 1.133 59.267 58.100 0.057 0.000 1.161 76 Y CB -0.261 38.223 38.460 0.040 0.000 0.997 76 Y HN 0.257 nan 8.280 nan 0.000 0.522 77 E N 0.251 120.579 120.200 0.214 0.000 2.070 77 E HA -0.297 4.053 4.350 -0.000 0.000 0.197 77 E C 2.369 179.061 176.600 0.153 0.000 1.004 77 E CA 1.307 57.816 56.400 0.182 0.000 0.805 77 E CB -0.307 29.468 29.700 0.126 0.000 0.744 77 E HN 0.495 nan 8.360 nan 0.000 0.451 78 A N 1.281 124.152 122.820 0.086 0.000 1.929 78 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 78 A C 1.673 179.286 177.584 0.049 0.000 1.176 78 A CA 1.486 53.550 52.037 0.046 0.000 0.628 78 A CB -0.241 18.765 19.000 0.010 0.000 0.816 78 A HN 0.095 nan 8.150 nan 0.000 0.444 79 D N -1.371 119.070 120.400 0.067 0.000 2.117 79 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 79 D C 1.664 178.049 176.300 0.141 0.000 0.987 79 D CA 1.492 55.544 54.000 0.087 0.000 0.829 79 D CB -0.462 40.400 40.800 0.105 0.000 0.961 79 D HN 0.537 nan 8.370 nan 0.000 0.460 80 Y N 1.718 122.049 120.300 0.051 0.000 2.114 80 Y HA -0.210 4.340 4.550 -0.000 0.000 0.284 80 Y C 2.366 178.282 175.900 0.027 0.000 1.143 80 Y CA 1.662 59.787 58.100 0.041 0.000 1.135 80 Y CB -0.494 37.994 38.460 0.047 0.000 0.980 80 Y HN -0.006 nan 8.280 nan 0.000 0.499 81 Q N -1.008 118.736 119.800 -0.093 0.000 2.112 81 Q HA -0.252 4.088 4.340 -0.000 0.000 0.206 81 Q C 2.586 178.508 176.000 -0.129 0.000 0.987 81 Q CA 2.123 57.833 55.803 -0.155 0.000 0.858 81 Q CB -0.456 28.253 28.738 -0.047 0.000 0.905 81 Q HN 0.458 nan 8.270 nan 0.000 0.420 82 S N -0.096 115.567 115.700 -0.062 0.000 2.368 82 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 82 S C 1.991 176.559 174.600 -0.053 0.000 1.029 82 S CA 1.033 59.207 58.200 -0.044 0.000 0.988 82 S CB -0.183 63.009 63.200 -0.014 0.000 0.838 82 S HN 0.448 nan 8.310 nan 0.000 0.462 83 A N 0.910 123.699 122.820 -0.052 0.000 1.933 83 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 83 A C 2.145 179.676 177.584 -0.089 0.000 1.175 83 A CA 1.690 53.704 52.037 -0.038 0.000 0.628 83 A CB -0.786 18.230 19.000 0.026 0.000 0.814 83 A HN 0.729 nan 8.150 nan 0.000 0.444 84 Q N -0.575 119.101 119.800 -0.208 0.000 2.050 84 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 84 Q C 2.463 178.404 176.000 -0.099 0.000 0.980 84 Q CA 1.421 57.107 55.803 -0.196 0.000 0.840 84 Q CB -0.432 28.105 28.738 -0.334 0.000 0.898 84 Q HN 0.671 nan 8.270 nan 0.000 0.424 85 A N 1.671 124.436 122.820 -0.092 0.000 1.908 85 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 85 A C 1.761 179.331 177.584 -0.023 0.000 1.181 85 A CA 1.814 53.821 52.037 -0.049 0.000 0.627 85 A CB -0.593 18.381 19.000 -0.044 0.000 0.818 85 A HN 0.300 nan 8.150 nan 0.000 0.445 86 N N -0.369 118.319 118.700 -0.020 0.000 2.223 86 N HA -0.114 4.625 4.740 -0.000 0.000 0.185 86 N C 1.488 177.013 175.510 0.025 0.000 1.016 86 N CA 1.323 54.373 53.050 0.001 0.000 0.863 86 N CB -0.518 37.968 38.487 -0.002 0.000 0.983 86 N HN 0.461 nan 8.380 nan 0.000 0.429 87 L N 0.903 122.140 121.223 0.025 0.000 2.005 87 L HA 0.061 4.401 4.340 -0.000 0.000 0.207 87 L C 2.054 178.980 176.870 0.093 0.000 1.072 87 L CA 1.601 56.487 54.840 0.077 0.000 0.744 87 L CB -1.175 40.918 42.059 0.057 0.000 0.895 87 L HN 0.116 nan 8.230 nan 0.000 0.433 88 A N -0.930 121.915 122.820 0.042 0.000 1.884 88 A HA -0.336 3.984 4.320 -0.000 0.000 0.219 88 A C 2.575 180.175 177.584 0.025 0.000 1.197 88 A CA 2.782 54.835 52.037 0.027 0.000 0.637 88 A CB -1.476 17.526 19.000 0.003 0.000 0.827 88 A HN 0.646 nan 8.150 nan 0.000 0.450 89 S N -2.046 113.669 115.700 0.024 0.000 2.355 89 S HA -0.156 4.314 4.470 -0.000 0.000 0.222 89 S C 2.149 176.766 174.600 0.029 0.000 1.031 89 S CA 2.280 60.493 58.200 0.021 0.000 0.993 89 S CB -0.781 62.428 63.200 0.015 0.000 0.859 89 S HN 0.575 nan 8.310 nan 0.000 0.453 90 T N 0.787 115.372 114.554 0.051 0.000 2.867 90 T HA -0.056 4.294 4.350 -0.000 0.000 0.268 90 T C 1.949 176.686 174.700 0.060 0.000 1.057 90 T CA 1.648 63.792 62.100 0.072 0.000 1.136 90 T CB -0.432 68.501 68.868 0.108 0.000 0.874 90 T HN 0.631 nan 8.240 nan 0.000 0.466 91 Q N 0.085 119.913 119.800 0.046 0.000 2.079 91 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 91 Q C 2.045 177.935 176.000 -0.184 0.000 0.974 91 Q CA 1.535 57.203 55.803 -0.225 0.000 0.840 91 Q CB -0.025 28.657 28.738 -0.093 0.000 0.898 91 Q HN 0.626 nan 8.270 nan 0.000 0.430 92 E N 0.142 120.306 120.200 -0.059 0.000 2.077 92 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 92 E C 1.991 178.600 176.600 0.016 0.000 0.989 92 E CA 1.294 57.678 56.400 -0.026 0.000 0.800 92 E CB -0.012 29.688 29.700 0.000 0.000 0.746 92 E HN 0.317 nan 8.360 nan 0.000 0.452 93 Q N 0.853 120.676 119.800 0.038 0.000 2.084 93 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 93 Q C 1.960 178.068 176.000 0.180 0.000 0.978 93 Q CA 1.784 57.662 55.803 0.124 0.000 0.844 93 Q CB -0.190 28.578 28.738 0.050 0.000 0.898 93 Q HN 0.232 nan 8.270 nan 0.000 0.426 94 A N 0.218 123.063 122.820 0.042 0.000 1.898 94 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 94 A C 2.001 179.673 177.584 0.148 0.000 1.181 94 A CA 1.461 53.553 52.037 0.092 0.000 0.620 94 A CB -0.576 18.381 19.000 -0.072 0.000 0.819 94 A HN 0.581 nan 8.150 nan 0.000 0.442 95 Q N -0.673 119.126 119.800 -0.001 0.000 2.014 95 Q HA -0.273 4.066 4.340 -0.000 0.000 0.207 95 Q C 2.361 178.392 176.000 0.050 0.000 0.993 95 Q CA 1.889 57.695 55.803 0.005 0.000 0.850 95 Q CB -0.316 28.396 28.738 -0.043 0.000 0.916 95 Q HN 0.642 nan 8.270 nan 0.000 0.417 96 R N -0.173 120.373 120.500 0.077 0.000 2.113 96 R HA -0.211 4.129 4.340 -0.000 0.000 0.244 96 R C 2.030 178.357 176.300 0.045 0.000 1.142 96 R CA 1.836 57.971 56.100 0.059 0.000 0.953 96 R CB -0.218 30.139 30.300 0.096 0.000 0.860 96 R HN 0.293 nan 8.270 nan 0.000 0.438 97 Y N 0.226 120.563 120.300 0.061 0.000 2.457 97 Y HA -0.037 4.513 4.550 -0.000 0.000 0.292 97 Y C 2.184 178.061 175.900 -0.038 0.000 1.125 97 Y CA 0.839 59.002 58.100 0.105 0.000 1.254 97 Y CB 0.044 38.669 38.460 0.275 0.000 1.012 97 Y HN -0.030 nan 8.280 nan 0.000 0.555 98 K N 0.455 120.877 120.400 0.036 0.000 2.026 98 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 98 K C 1.817 178.278 176.600 -0.232 0.000 1.048 98 K CA 1.351 57.446 56.287 -0.320 0.000 0.929 98 K CB -0.472 31.959 32.500 -0.116 0.000 0.713 98 K HN 0.352 nan 8.250 nan 0.000 0.439 99 L N 0.690 121.841 121.223 -0.121 0.000 2.005 99 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 99 L C 2.575 179.370 176.870 -0.126 0.000 1.072 99 L CA 0.945 55.719 54.840 -0.110 0.000 0.744 99 L CB -0.673 41.339 42.059 -0.079 0.000 0.895 99 L HN 0.136 nan 8.230 nan 0.000 0.433 100 L N -0.413 120.720 121.223 -0.149 0.000 1.990 100 L HA -0.258 4.082 4.340 -0.000 0.000 0.213 100 L C 2.646 179.439 176.870 -0.127 0.000 1.072 100 L CA 1.223 55.962 54.840 -0.168 0.000 0.755 100 L CB -0.654 41.225 42.059 -0.300 0.000 0.889 100 L HN 0.081 nan 8.230 nan 0.000 0.432 101 V N -0.145 119.691 119.914 -0.129 0.000 2.720 101 V HA -0.281 3.839 4.120 -0.000 0.000 0.256 101 V C 2.560 178.587 176.094 -0.113 0.000 1.082 101 V CA 1.647 63.884 62.300 -0.106 0.000 1.101 101 V CB -0.185 31.555 31.823 -0.139 0.000 0.693 101 V HN 0.477 nan 8.190 nan 0.000 0.479 102 A N -0.341 122.400 122.820 -0.133 0.000 1.902 102 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 102 A C 1.740 179.282 177.584 -0.070 0.000 1.181 102 A CA 1.820 53.797 52.037 -0.101 0.000 0.623 102 A CB -0.434 18.506 19.000 -0.101 0.000 0.818 102 A HN 0.628 nan 8.150 nan 0.000 0.443 103 D N 0.100 120.459 120.400 -0.068 0.000 2.325 103 D HA 0.088 4.728 4.640 -0.000 0.000 0.234 103 D C -0.183 176.091 176.300 -0.044 0.000 1.122 103 D CA 0.209 54.178 54.000 -0.052 0.000 0.850 103 D CB -0.171 40.596 40.800 -0.055 0.000 0.921 103 D HN 0.540 nan 8.370 nan 0.000 0.513 104 Q N -0.741 119.034 119.800 -0.042 0.000 2.437 104 Q HA -0.269 4.071 4.340 -0.000 0.000 0.274 104 Q C 1.010 176.992 176.000 -0.028 0.000 1.165 104 Q CA 0.629 56.415 55.803 -0.028 0.000 0.925 104 Q CB -1.702 27.026 28.738 -0.018 0.000 1.327 104 Q HN 0.413 nan 8.270 nan 0.000 0.505 105 A N -0.126 122.666 122.820 -0.047 0.000 2.021 105 A HA 0.218 4.538 4.320 -0.000 0.000 0.216 105 A C 1.150 178.708 177.584 -0.045 0.000 1.163 105 A CA 1.205 53.209 52.037 -0.055 0.000 0.676 105 A CB 0.391 19.340 19.000 -0.085 0.000 0.818 105 A HN 0.493 nan 8.150 nan 0.000 0.453 106 V N -2.520 117.377 119.914 -0.027 0.000 3.113 106 V HA 0.734 4.854 4.120 -0.000 0.000 0.316 106 V C 0.045 176.182 176.094 0.072 0.000 1.125 106 V CA -0.439 61.885 62.300 0.039 0.000 1.026 106 V CB 1.336 33.221 31.823 0.103 0.000 1.080 106 V HN 0.442 nan 8.190 nan 0.000 0.444 107 S N 0.617 116.379 115.700 0.103 0.000 2.617 107 S HA 0.389 4.859 4.470 -0.000 0.000 0.269 107 S C 0.754 175.439 174.600 0.142 0.000 1.292 107 S CA -0.325 57.932 58.200 0.095 0.000 1.010 107 S CB 1.010 64.257 63.200 0.077 0.000 0.944 107 S HN 0.809 nan 8.310 nan 0.000 0.536 108 K N 0.311 120.785 120.400 0.122 0.000 2.074 108 K HA -0.244 4.076 4.320 -0.000 0.000 0.209 108 K C 2.299 178.986 176.600 0.145 0.000 1.048 108 K CA 1.926 58.309 56.287 0.160 0.000 0.926 108 K CB -0.349 32.220 32.500 0.115 0.000 0.713 108 K HN 0.704 nan 8.250 nan 0.000 0.444 109 Q N 1.467 121.324 119.800 0.094 0.000 2.077 109 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 109 Q C 1.817 177.849 176.000 0.053 0.000 0.989 109 Q CA 1.925 57.762 55.803 0.057 0.000 0.853 109 Q CB -0.061 28.703 28.738 0.042 0.000 0.907 109 Q HN 0.391 nan 8.270 nan 0.000 0.418 110 Q N -1.589 118.275 119.800 0.107 0.000 2.123 110 Q HA -0.157 4.183 4.340 -0.000 0.000 0.199 110 Q C 1.792 177.838 176.000 0.077 0.000 0.966 110 Q CA 1.295 57.160 55.803 0.103 0.000 0.845 110 Q CB -0.370 28.517 28.738 0.249 0.000 0.907 110 Q HN 0.481 nan 8.270 nan 0.000 0.439 111 Y N 1.659 122.024 120.300 0.107 0.000 2.163 111 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 111 Y C 2.348 178.254 175.900 0.010 0.000 1.136 111 Y CA 1.053 59.209 58.100 0.094 0.000 1.147 111 Y CB -0.682 37.861 38.460 0.137 0.000 0.987 111 Y HN 0.072 nan 8.280 nan 0.000 0.509 112 A N 0.667 123.367 122.820 -0.200 0.000 1.896 112 A HA -0.307 4.013 4.320 -0.000 0.000 0.220 112 A C 1.994 179.442 177.584 -0.227 0.000 1.206 112 A CA 2.459 54.359 52.037 -0.229 0.000 0.647 112 A CB -1.157 17.799 19.000 -0.073 0.000 0.828 112 A HN 0.586 nan 8.150 nan 0.000 0.455 113 D N -0.275 120.026 120.400 -0.165 0.000 2.149 113 D HA -0.051 4.589 4.640 -0.000 0.000 0.198 113 D C 2.177 178.352 176.300 -0.209 0.000 0.990 113 D CA 1.587 55.494 54.000 -0.156 0.000 0.839 113 D CB -0.472 40.253 40.800 -0.125 0.000 0.948 113 D HN 0.490 nan 8.370 nan 0.000 0.460 114 A N 0.639 123.274 122.820 -0.309 0.000 1.897 114 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 114 A C 2.035 179.490 177.584 -0.214 0.000 1.181 114 A CA 1.120 52.957 52.037 -0.334 0.000 0.620 114 A CB -0.545 18.150 19.000 -0.509 0.000 0.821 114 A HN 0.180 nan 8.150 nan 0.000 0.443 115 N N 0.200 118.697 118.700 -0.338 0.000 2.142 115 N HA -0.115 4.625 4.740 -0.000 0.000 0.186 115 N C 1.986 177.455 175.510 -0.068 0.000 1.023 115 N CA 1.162 54.091 53.050 -0.201 0.000 0.852 115 N CB -0.148 38.079 38.487 -0.433 0.000 0.998 115 N HN 0.377 nan 8.380 nan 0.000 0.424 116 A N 1.174 123.920 122.820 -0.124 0.000 1.883 116 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 116 A C 2.349 179.896 177.584 -0.062 0.000 1.186 116 A CA 2.021 54.006 52.037 -0.087 0.000 0.624 116 A CB -0.936 18.011 19.000 -0.088 0.000 0.822 116 A HN 0.439 nan 8.150 nan 0.000 0.444 117 A N -1.684 121.104 122.820 -0.053 0.000 1.969 117 A HA -0.054 4.266 4.320 -0.000 0.000 0.218 117 A C 2.128 179.724 177.584 0.019 0.000 1.169 117 A CA 1.700 53.720 52.037 -0.028 0.000 0.635 117 A CB -0.700 18.276 19.000 -0.039 0.000 0.810 117 A HN 0.839 nan 8.150 nan 0.000 0.445 118 Y N 0.383 120.636 120.300 -0.078 0.000 2.184 118 Y HA -0.054 4.496 4.550 -0.000 0.000 0.290 118 Y C 1.854 177.732 175.900 -0.037 0.000 1.129 118 Y CA 1.458 59.528 58.100 -0.050 0.000 1.144 118 Y CB -0.474 37.960 38.460 -0.043 0.000 0.995 118 Y HN 0.173 nan 8.280 nan 0.000 0.513 119 L N 0.368 121.373 121.223 -0.363 0.000 2.042 119 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 119 L C 2.718 179.429 176.870 -0.264 0.000 1.076 119 L CA 2.056 56.651 54.840 -0.409 0.000 0.749 119 L CB -0.707 41.229 42.059 -0.205 0.000 0.893 119 L HN 0.345 nan 8.230 nan 0.000 0.432 120 Q N -0.235 119.470 119.800 -0.159 0.000 2.061 120 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 120 Q C 2.263 178.205 176.000 -0.096 0.000 0.984 120 Q CA 2.259 58.001 55.803 -0.101 0.000 0.846 120 Q CB 0.098 28.797 28.738 -0.065 0.000 0.902 120 Q HN 0.467 nan 8.270 nan 0.000 0.421 121 S N 0.481 116.122 115.700 -0.097 0.000 2.383 121 S HA -0.127 4.343 4.470 -0.000 0.000 0.227 121 S C 1.703 176.256 174.600 -0.078 0.000 1.026 121 S CA 1.174 59.339 58.200 -0.057 0.000 0.981 121 S CB -0.205 62.993 63.200 -0.004 0.000 0.818 121 S HN 0.324 nan 8.310 nan 0.000 0.472 122 K N 1.665 121.957 120.400 -0.180 0.000 2.032 122 K HA -0.104 4.216 4.320 -0.000 0.000 0.209 122 K C 2.285 178.823 176.600 -0.103 0.000 1.048 122 K CA 1.284 57.466 56.287 -0.175 0.000 0.927 122 K CB -0.398 31.877 32.500 -0.376 0.000 0.712 122 K HN 0.315 nan 8.250 nan 0.000 0.441 123 A N 0.861 123.613 122.820 -0.114 0.000 1.902 123 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 123 A C 2.277 179.845 177.584 -0.026 0.000 1.181 123 A CA 1.917 53.915 52.037 -0.064 0.000 0.623 123 A CB -0.765 18.196 19.000 -0.066 0.000 0.818 123 A HN 0.488 nan 8.150 nan 0.000 0.443 124 A N -0.675 122.133 122.820 -0.021 0.000 2.067 124 A HA 0.092 4.412 4.320 -0.000 0.000 0.219 124 A C 2.126 179.738 177.584 0.047 0.000 1.158 124 A CA 1.449 53.492 52.037 0.010 0.000 0.661 124 A CB -0.713 18.291 19.000 0.006 0.000 0.801 124 A HN 0.354 nan 8.150 nan 0.000 0.452 125 V N 0.250 120.194 119.914 0.049 0.000 2.392 125 V HA -0.228 3.892 4.120 -0.000 0.000 0.249 125 V C 2.581 178.757 176.094 0.137 0.000 1.059 125 V CA 2.146 64.519 62.300 0.121 0.000 1.051 125 V CB -0.633 31.251 31.823 0.101 0.000 0.658 125 V HN 0.497 nan 8.190 nan 0.000 0.455 126 E N -0.129 120.106 120.200 0.058 0.000 2.031 126 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 126 E C 2.202 178.801 176.600 -0.001 0.000 0.994 126 E CA 1.596 58.007 56.400 0.018 0.000 0.800 126 E CB -0.398 29.301 29.700 -0.003 0.000 0.752 126 E HN 0.612 nan 8.360 nan 0.000 0.447 127 Q N 0.440 120.252 119.800 0.019 0.000 2.119 127 Q HA -0.010 4.330 4.340 -0.000 0.000 0.201 127 Q C 1.904 177.924 176.000 0.033 0.000 0.972 127 Q CA 1.790 57.605 55.803 0.020 0.000 0.847 127 Q CB -0.377 28.384 28.738 0.039 0.000 0.903 127 Q HN 0.232 nan 8.270 nan 0.000 0.433 128 A N 0.356 123.227 122.820 0.085 0.000 1.930 128 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 128 A C 2.129 179.708 177.584 -0.008 0.000 1.175 128 A CA 1.501 53.621 52.037 0.139 0.000 0.627 128 A CB -0.605 18.554 19.000 0.264 0.000 0.815 128 A HN 0.398 nan 8.150 nan 0.000 0.443 129 R N -0.197 120.239 120.500 -0.107 0.000 2.081 129 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 129 R C 1.918 178.008 176.300 -0.350 0.000 1.131 129 R CA 1.768 57.596 56.100 -0.454 0.000 0.960 129 R CB -0.405 29.712 30.300 -0.306 0.000 0.856 129 R HN 0.552 nan 8.270 nan 0.000 0.436 130 I N 1.349 121.770 120.570 -0.248 0.000 2.113 130 I HA -0.317 3.852 4.170 -0.000 0.000 0.238 130 I C 1.819 177.689 176.117 -0.411 0.000 1.070 130 I CA 1.329 62.417 61.300 -0.353 0.000 1.332 130 I CB -0.510 37.349 38.000 -0.234 0.000 1.044 130 I HN 0.237 nan 8.210 nan 0.000 0.402 131 N N 0.853 119.436 118.700 -0.194 0.000 2.137 131 N HA -0.213 4.527 4.740 -0.000 0.000 0.190 131 N C 1.744 177.061 175.510 -0.321 0.000 1.017 131 N CA 1.273 54.207 53.050 -0.192 0.000 0.859 131 N CB -0.599 37.847 38.487 -0.068 0.000 1.002 131 N HN 0.224 nan 8.380 nan 0.000 0.428 132 L N 1.500 122.593 121.223 -0.218 0.000 2.056 132 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 132 L C 2.354 179.106 176.870 -0.196 0.000 1.078 132 L CA 1.530 56.270 54.840 -0.167 0.000 0.749 132 L CB -0.544 41.413 42.059 -0.171 0.000 0.901 132 L HN 0.068 nan 8.230 nan 0.000 0.433 133 R N -1.437 118.896 120.500 -0.278 0.000 2.091 133 R HA -0.229 4.111 4.340 -0.000 0.000 0.238 133 R C 2.249 178.446 176.300 -0.172 0.000 1.136 133 R CA 2.039 57.985 56.100 -0.257 0.000 0.959 133 R CB -0.639 29.446 30.300 -0.359 0.000 0.856 133 R HN 0.520 nan 8.270 nan 0.000 0.437 134 Y N 0.414 120.616 120.300 -0.162 0.000 2.639 134 Y HA -0.136 4.413 4.550 -0.000 0.000 0.297 134 Y C 2.344 178.150 175.900 -0.156 0.000 1.151 134 Y CA 0.941 58.949 58.100 -0.154 0.000 1.335 134 Y CB 0.034 38.388 38.460 -0.177 0.000 0.994 134 Y HN 0.335 nan 8.280 nan 0.000 0.548 135 T N -2.088 112.444 114.554 -0.037 0.000 3.051 135 T HA -0.058 4.291 4.350 -0.000 0.000 0.269 135 T C 0.478 175.206 174.700 0.045 0.000 1.127 135 T CA 0.362 62.451 62.100 -0.019 0.000 1.107 135 T CB -0.155 68.707 68.868 -0.009 0.000 0.898 135 T HN 0.103 nan 8.240 nan 0.000 0.517 136 K N 1.845 122.276 120.400 0.051 0.000 2.281 136 K HA 0.525 4.845 4.320 -0.000 0.000 0.272 136 K C -1.240 175.418 176.600 0.097 0.000 1.048 136 K CA -0.598 55.733 56.287 0.074 0.000 0.898 136 K CB 2.148 34.676 32.500 0.046 0.000 1.128 136 K HN 0.022 nan 8.250 nan 0.000 0.460 137 V N 5.696 125.689 119.914 0.133 0.000 2.364 137 V HA 0.269 4.389 4.120 -0.000 0.000 0.272 137 V C 0.123 176.293 176.094 0.128 0.000 1.036 137 V CA -0.658 61.728 62.300 0.143 0.000 0.880 137 V CB 0.547 32.493 31.823 0.204 0.000 0.991 137 V HN 0.598 nan 8.190 nan 0.000 0.460 138 L N 3.145 124.417 121.223 0.081 0.000 2.344 138 L HA 0.503 4.843 4.340 -0.000 0.000 0.272 138 L C 0.657 177.536 176.870 0.014 0.000 1.035 138 L CA -0.380 54.485 54.840 0.042 0.000 0.807 138 L CB 1.865 43.945 42.059 0.036 0.000 1.237 138 L HN 0.590 nan 8.230 nan 0.000 0.442 139 S N 2.404 118.092 115.700 -0.021 0.000 2.510 139 S HA 0.169 4.638 4.470 -0.000 0.000 0.279 139 S C -1.358 173.227 174.600 -0.025 0.000 1.284 139 S CA -1.202 56.969 58.200 -0.048 0.000 1.059 139 S CB 0.751 63.902 63.200 -0.081 0.000 0.901 139 S HN 0.423 nan 8.310 nan 0.000 0.491 140 P HA 0.099 nan 4.420 nan 0.000 0.222 140 P C 0.408 177.699 177.300 -0.014 0.000 1.153 140 P CA 0.717 63.809 63.100 -0.014 0.000 0.798 140 P CB -0.216 31.474 31.700 -0.016 0.000 0.796 141 I N -5.246 115.311 120.570 -0.022 0.000 3.174 141 I HA 0.550 4.720 4.170 -0.000 0.000 0.313 141 I C -0.935 175.169 176.117 -0.022 0.000 1.155 141 I CA -1.355 59.937 61.300 -0.014 0.000 0.977 141 I CB 2.257 40.253 38.000 -0.007 0.000 1.248 141 I HN -0.432 nan 8.210 nan 0.000 0.453 142 S N 1.201 116.895 115.700 -0.011 0.000 2.525 142 S HA 0.868 5.338 4.470 -0.000 0.000 0.278 142 S C 0.141 174.733 174.600 -0.014 0.000 1.234 142 S CA 0.261 58.452 58.200 -0.016 0.000 1.058 142 S CB 1.126 64.321 63.200 -0.008 0.000 0.983 142 S HN 1.188 nan 8.310 nan 0.000 0.495 143 G N 1.859 110.643 108.800 -0.026 0.000 2.367 143 G HA2 0.355 4.315 3.960 -0.000 0.000 0.272 143 G HA3 0.355 4.315 3.960 -0.000 0.000 0.272 143 G C -1.622 173.259 174.900 -0.032 0.000 1.271 143 G CA -1.059 44.028 45.100 -0.022 0.000 0.893 143 G HN 0.678 nan 8.290 nan 0.000 0.485 144 R N 0.048 120.532 120.500 -0.026 0.000 2.229 144 R HA 0.726 5.065 4.340 -0.000 0.000 0.332 144 R C -0.507 175.770 176.300 -0.038 0.000 0.989 144 R CA -0.583 55.504 56.100 -0.023 0.000 0.842 144 R CB 0.796 31.092 30.300 -0.007 0.000 1.119 144 R HN 0.678 nan 8.270 nan 0.000 0.456 145 I N 4.385 124.920 120.570 -0.059 0.000 2.396 145 I HA 0.469 4.638 4.170 -0.000 0.000 0.292 145 I C 0.602 176.724 176.117 0.008 0.000 0.999 145 I CA 0.042 61.285 61.300 -0.094 0.000 1.310 145 I CB 1.421 39.239 38.000 -0.304 0.000 1.404 145 I HN 0.895 nan 8.210 nan 0.000 0.496 146 G N 6.634 115.450 108.800 0.028 0.000 2.783 146 G HA2 0.337 4.297 3.960 -0.000 0.000 0.182 146 G HA3 0.337 4.297 3.960 -0.000 0.000 0.182 146 G C -0.164 174.833 174.900 0.161 0.000 1.516 146 G CA -0.658 44.489 45.100 0.079 0.000 1.079 146 G HN 0.613 nan 8.290 nan 0.000 0.573 147 R N -0.600 119.981 120.500 0.135 0.000 2.615 147 R HA 0.421 4.761 4.340 -0.000 0.000 0.270 147 R C -0.135 176.298 176.300 0.222 0.000 1.081 147 R CA -0.162 56.029 56.100 0.152 0.000 1.154 147 R CB 0.952 31.306 30.300 0.090 0.000 1.063 147 R HN 0.361 nan 8.270 nan 0.000 0.519 148 S N 0.312 116.144 115.700 0.221 0.000 2.438 148 S HA 0.288 4.758 4.470 -0.000 0.000 0.293 148 S C 0.761 175.467 174.600 0.176 0.000 1.141 148 S CA -0.566 57.813 58.200 0.299 0.000 1.080 148 S CB 1.319 64.685 63.200 0.277 0.000 0.978 148 S HN 0.682 nan 8.310 nan 0.000 0.479 149 A N 4.596 127.510 122.820 0.157 0.000 2.235 149 A HA 0.401 4.721 4.320 -0.000 0.000 0.208 149 A C 0.470 178.088 177.584 0.058 0.000 1.172 149 A CA 0.204 52.290 52.037 0.082 0.000 0.786 149 A CB -0.085 18.948 19.000 0.055 0.000 0.804 149 A HN 0.658 nan 8.150 nan 0.000 0.479 150 V N -1.314 118.651 119.914 0.084 0.000 3.078 150 V HA 0.519 4.639 4.120 -0.000 0.000 0.311 150 V C -0.514 175.625 176.094 0.075 0.000 1.138 150 V CA -0.473 61.852 62.300 0.042 0.000 1.007 150 V CB 2.492 34.286 31.823 -0.047 0.000 1.045 150 V HN 0.184 nan 8.190 nan 0.000 0.432 151 T N 2.019 116.598 114.554 0.042 0.000 2.861 151 T HA 0.379 4.729 4.350 -0.000 0.000 0.287 151 T C -0.650 174.074 174.700 0.040 0.000 1.003 151 T CA -0.600 61.525 62.100 0.041 0.000 0.977 151 T CB 1.336 70.216 68.868 0.021 0.000 0.996 151 T HN 0.722 nan 8.240 nan 0.000 0.448 152 E N 1.210 121.439 120.200 0.049 0.000 2.652 152 E HA 0.250 4.600 4.350 -0.000 0.000 0.255 152 E C 1.240 177.856 176.600 0.027 0.000 0.952 152 E CA 0.949 57.376 56.400 0.045 0.000 0.947 152 E CB 0.057 29.779 29.700 0.036 0.000 0.912 152 E HN 1.011 nan 8.360 nan 0.000 0.489 153 G N 2.121 110.936 108.800 0.026 0.000 2.279 153 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.223 153 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.223 153 G C 0.418 175.326 174.900 0.012 0.000 1.015 153 G CA -0.220 44.891 45.100 0.018 0.000 0.621 153 G HN 0.860 nan 8.290 nan 0.000 0.506 154 A N 0.821 123.646 122.820 0.009 0.000 2.477 154 A HA 0.627 4.947 4.320 -0.000 0.000 0.246 154 A C 0.378 177.959 177.584 -0.006 0.000 1.078 154 A CA 0.272 52.308 52.037 -0.001 0.000 0.770 154 A CB 0.631 19.628 19.000 -0.006 0.000 1.011 154 A HN 1.525 nan 8.150 nan 0.000 0.494 155 L N 4.501 125.720 121.223 -0.006 0.000 2.360 155 L HA 0.481 4.821 4.340 -0.000 0.000 0.276 155 L C 0.194 177.051 176.870 -0.021 0.000 1.121 155 L CA 0.253 55.090 54.840 -0.005 0.000 0.845 155 L CB 0.665 42.724 42.059 0.000 0.000 1.143 155 L HN 0.677 nan 8.230 nan 0.000 0.452 156 V N 1.914 121.811 119.914 -0.028 0.000 2.850 156 V HA 0.826 4.946 4.120 -0.000 0.000 0.315 156 V C -0.021 176.055 176.094 -0.029 0.000 1.064 156 V CA -0.437 61.834 62.300 -0.048 0.000 0.979 156 V CB 1.692 33.458 31.823 -0.096 0.000 1.039 156 V HN 0.815 nan 8.190 nan 0.000 0.452 157 T N 2.315 116.845 114.554 -0.039 0.000 2.861 157 T HA 0.383 4.733 4.350 -0.000 0.000 0.287 157 T C -0.312 174.358 174.700 -0.050 0.000 1.003 157 T CA -0.347 61.736 62.100 -0.029 0.000 0.977 157 T CB 1.205 70.060 68.868 -0.021 0.000 0.996 157 T HN 0.973 nan 8.240 nan 0.000 0.448 158 N N 1.437 120.107 118.700 -0.049 0.000 2.411 158 N HA 0.312 5.052 4.740 -0.000 0.000 0.261 158 N C 1.327 176.801 175.510 -0.061 0.000 1.248 158 N CA 1.751 54.756 53.050 -0.075 0.000 0.885 158 N CB -0.047 38.398 38.487 -0.070 0.000 1.062 158 N HN 1.009 nan 8.380 nan 0.000 0.471 159 G N 2.079 110.835 108.800 -0.073 0.000 2.176 159 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.253 159 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.253 159 G C -0.065 174.808 174.900 -0.046 0.000 0.979 159 G CA 0.443 45.509 45.100 -0.056 0.000 0.641 159 G HN 0.927 nan 8.290 nan 0.000 0.530 160 Q N -0.183 119.588 119.800 -0.049 0.000 2.361 160 Q HA 0.655 4.995 4.340 -0.000 0.000 0.276 160 Q C 1.592 177.569 176.000 -0.038 0.000 1.022 160 Q CA 0.490 56.269 55.803 -0.040 0.000 0.898 160 Q CB 1.149 29.861 28.738 -0.043 0.000 1.246 160 Q HN 0.874 nan 8.270 nan 0.000 0.410 161 A N 3.941 126.744 122.820 -0.029 0.000 1.902 161 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 161 A C 0.324 177.894 177.584 -0.024 0.000 1.181 161 A CA 1.410 53.432 52.037 -0.025 0.000 0.623 161 A CB -0.539 18.450 19.000 -0.018 0.000 0.818 161 A HN 0.899 nan 8.150 nan 0.000 0.443 162 N N -0.571 118.114 118.700 -0.024 0.000 2.479 162 N HA 0.521 5.261 4.740 -0.000 0.000 0.285 162 N C -0.354 175.141 175.510 -0.024 0.000 1.075 162 N CA 0.035 53.074 53.050 -0.018 0.000 0.967 162 N CB 1.255 39.735 38.487 -0.012 0.000 1.137 162 N HN 0.408 nan 8.380 nan 0.000 0.472 163 A N 2.058 124.868 122.820 -0.016 0.000 2.407 163 A HA 0.112 4.432 4.320 -0.000 0.000 0.248 163 A C 1.131 178.715 177.584 0.000 0.000 1.082 163 A CA -0.131 51.898 52.037 -0.014 0.000 0.785 163 A CB 0.128 19.126 19.000 -0.004 0.000 1.020 163 A HN 0.833 nan 8.150 nan 0.000 0.489 164 M N 0.985 120.582 119.600 -0.005 0.000 2.319 164 M HA 0.143 4.623 4.480 -0.000 0.000 0.265 164 M C 0.778 177.180 176.300 0.170 0.000 1.068 164 M CA 1.642 56.959 55.300 0.029 0.000 1.118 164 M CB -0.318 32.203 32.600 -0.132 0.000 1.395 164 M HN 0.866 nan 8.290 nan 0.000 0.435 165 A N -0.728 122.173 122.820 0.135 0.000 2.567 165 A HA 0.639 4.959 4.320 -0.000 0.000 0.291 165 A C -1.003 176.597 177.584 0.027 0.000 1.048 165 A CA -0.756 51.350 52.037 0.116 0.000 0.661 165 A CB 1.026 20.116 19.000 0.149 0.000 1.288 165 A HN 0.041 nan 8.150 nan 0.000 0.424 166 T N 0.825 115.378 114.554 -0.002 0.000 2.881 166 T HA 0.594 4.944 4.350 -0.000 0.000 0.290 166 T C -0.902 173.768 174.700 -0.049 0.000 1.000 166 T CA -0.369 61.718 62.100 -0.021 0.000 0.978 166 T CB 1.411 70.277 68.868 -0.003 0.000 0.997 166 T HN 0.872 nan 8.240 nan 0.000 0.443 167 V N 3.867 123.747 119.914 -0.057 0.000 2.435 167 V HA 0.487 4.606 4.120 -0.000 0.000 0.290 167 V C -0.273 175.803 176.094 -0.030 0.000 1.030 167 V CA -0.828 61.434 62.300 -0.063 0.000 0.881 167 V CB 1.679 33.453 31.823 -0.083 0.000 0.983 167 V HN 0.809 nan 8.190 nan 0.000 0.445 168 Q N 3.030 122.818 119.800 -0.020 0.000 2.325 168 Q HA 0.403 4.743 4.340 -0.000 0.000 0.270 168 Q C -0.729 175.276 176.000 0.009 0.000 1.020 168 Q CA -0.422 55.382 55.803 0.001 0.000 0.785 168 Q CB 2.731 31.471 28.738 0.004 0.000 1.259 168 Q HN 0.734 nan 8.270 nan 0.000 0.452 169 Q N 3.217 123.036 119.800 0.031 0.000 2.296 169 Q HA 0.192 4.532 4.340 -0.000 0.000 0.262 169 Q C -0.232 175.797 176.000 0.049 0.000 0.981 169 Q CA 0.224 56.056 55.803 0.048 0.000 0.905 169 Q CB 0.587 29.387 28.738 0.103 0.000 1.186 169 Q HN 0.751 nan 8.270 nan 0.000 0.399 170 L N 2.963 124.190 121.223 0.006 0.000 3.039 170 L HA 0.119 4.459 4.340 -0.000 0.000 0.269 170 L C 1.313 178.146 176.870 -0.062 0.000 1.169 170 L CA -0.166 54.665 54.840 -0.015 0.000 0.986 170 L CB 0.325 42.379 42.059 -0.009 0.000 1.377 170 L HN 0.675 nan 8.230 nan 0.000 0.575 171 D N 1.616 121.964 120.400 -0.087 0.000 2.103 171 D HA -0.004 4.636 4.640 -0.000 0.000 0.199 171 D C -1.719 174.470 176.300 -0.185 0.000 0.978 171 D CA 0.652 54.590 54.000 -0.104 0.000 0.829 171 D CB -0.445 40.303 40.800 -0.087 0.000 0.981 171 D HN 0.127 nan 8.370 nan 0.000 0.464 172 P HA 0.314 nan 4.420 nan 0.000 0.286 172 P C -0.562 176.431 177.300 -0.510 0.000 1.269 172 P CA -0.246 62.493 63.100 -0.601 0.000 0.787 172 P CB 1.685 32.643 31.700 -1.238 0.000 0.920 173 I N 2.926 123.327 120.570 -0.281 0.000 2.689 173 I HA 0.432 4.602 4.170 -0.000 0.000 0.299 173 I C -1.055 175.064 176.117 0.004 0.000 1.059 173 I CA -1.358 59.874 61.300 -0.113 0.000 1.055 173 I CB 1.635 39.601 38.000 -0.057 0.000 1.243 173 I HN 0.243 nan 8.210 nan 0.000 0.425 174 Y N 4.939 125.328 120.300 0.148 0.000 2.320 174 Y HA 0.511 5.061 4.550 -0.000 0.000 0.324 174 Y C -0.290 175.643 175.900 0.055 0.000 1.190 174 Y CA -0.818 57.365 58.100 0.139 0.000 1.215 174 Y CB 1.839 40.373 38.460 0.124 0.000 1.221 174 Y HN 0.171 nan 8.280 nan 0.000 0.486 175 V N 3.348 123.429 119.914 0.277 0.000 2.380 175 V HA 0.141 4.261 4.120 -0.000 0.000 0.286 175 V C -1.139 174.991 176.094 0.060 0.000 1.015 175 V CA -0.983 61.382 62.300 0.109 0.000 0.834 175 V CB 1.220 33.082 31.823 0.066 0.000 1.009 175 V HN 0.697 nan 8.190 nan 0.000 0.428 176 D N 3.648 124.045 120.400 -0.004 0.000 2.325 176 D HA 0.397 5.037 4.640 -0.000 0.000 0.251 176 D C -0.329 175.950 176.300 -0.036 0.000 1.196 176 D CA 0.291 54.263 54.000 -0.046 0.000 0.866 176 D CB 1.599 42.356 40.800 -0.072 0.000 1.101 176 D HN 0.276 nan 8.370 nan 0.000 0.476 177 V N 3.029 122.928 119.914 -0.025 0.000 2.378 177 V HA 0.416 4.536 4.120 -0.000 0.000 0.288 177 V C 0.478 176.571 176.094 -0.002 0.000 1.016 177 V CA -0.757 61.538 62.300 -0.008 0.000 0.840 177 V CB 1.550 33.379 31.823 0.010 0.000 0.994 177 V HN 0.672 nan 8.190 nan 0.000 0.431 178 T N 2.735 117.290 114.554 0.003 0.000 2.929 178 T HA 0.815 5.165 4.350 -0.000 0.000 0.284 178 T C -0.697 174.018 174.700 0.026 0.000 1.014 178 T CA -0.589 61.517 62.100 0.011 0.000 1.051 178 T CB 2.143 71.015 68.868 0.006 0.000 1.028 178 T HN 0.509 nan 8.240 nan 0.000 0.485 179 Q N 0.836 120.655 119.800 0.031 0.000 2.527 179 Q HA 0.398 4.738 4.340 -0.000 0.000 0.280 179 Q C -3.053 172.967 176.000 0.033 0.000 0.977 179 Q CA -1.701 54.126 55.803 0.039 0.000 0.837 179 Q CB 2.085 30.857 28.738 0.057 0.000 1.454 179 Q HN 0.498 nan 8.270 nan 0.000 0.387 180 P HA -0.007 nan 4.420 nan 0.000 0.267 180 P C 0.667 177.982 177.300 0.025 0.000 1.200 180 P CA 0.376 63.490 63.100 0.024 0.000 0.772 180 P CB 0.600 32.313 31.700 0.022 0.000 0.855 181 S N 0.540 116.251 115.700 0.019 0.000 2.442 181 S HA -0.181 4.289 4.470 -0.000 0.000 0.236 181 S C 1.618 176.225 174.600 0.011 0.000 1.007 181 S CA 1.863 60.072 58.200 0.017 0.000 0.965 181 S CB -1.639 61.567 63.200 0.011 0.000 0.773 181 S HN 0.619 nan 8.310 nan 0.000 0.504 182 T N 0.504 115.064 114.554 0.010 0.000 2.770 182 T HA 0.223 4.573 4.350 -0.000 0.000 0.263 182 T C 2.103 176.805 174.700 0.004 0.000 1.039 182 T CA 0.878 62.980 62.100 0.004 0.000 1.142 182 T CB -1.019 67.852 68.868 0.004 0.000 0.868 182 T HN 0.507 nan 8.240 nan 0.000 0.435 183 A N 1.880 124.710 122.820 0.016 0.000 1.892 183 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 183 A C 2.379 179.979 177.584 0.028 0.000 1.188 183 A CA 1.935 53.987 52.037 0.025 0.000 0.631 183 A CB -1.096 17.928 19.000 0.039 0.000 0.822 183 A HN 0.523 nan 8.150 nan 0.000 0.447 184 L N -1.269 119.977 121.223 0.038 0.000 2.046 184 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 184 L C 2.162 179.010 176.870 -0.037 0.000 1.077 184 L CA 1.850 56.719 54.840 0.050 0.000 0.747 184 L CB -0.323 41.784 42.059 0.080 0.000 0.896 184 L HN 0.325 nan 8.230 nan 0.000 0.432 185 L N -0.602 120.599 121.223 -0.037 0.000 2.240 185 L HA -0.044 4.296 4.340 -0.000 0.000 0.211 185 L C 2.582 179.399 176.870 -0.090 0.000 1.106 185 L CA 1.319 56.118 54.840 -0.068 0.000 0.793 185 L CB -0.840 41.196 42.059 -0.039 0.000 0.927 185 L HN 0.291 nan 8.230 nan 0.000 0.446 186 R N -0.459 120.004 120.500 -0.063 0.000 2.103 186 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 186 R C 2.242 178.480 176.300 -0.105 0.000 1.132 186 R CA 2.361 58.425 56.100 -0.060 0.000 0.925 186 R CB -0.589 29.695 30.300 -0.027 0.000 0.842 186 R HN 0.387 nan 8.270 nan 0.000 0.430 187 L N 0.255 121.408 121.223 -0.116 0.000 2.021 187 L HA -0.257 4.083 4.340 -0.000 0.000 0.215 187 L C 2.837 179.430 176.870 -0.461 0.000 1.074 187 L CA 1.660 56.382 54.840 -0.197 0.000 0.760 187 L CB -0.614 41.394 42.059 -0.085 0.000 0.889 187 L HN 0.287 nan 8.230 nan 0.000 0.433 188 R N -0.099 120.064 120.500 -0.563 0.000 2.096 188 R HA -0.181 4.159 4.340 -0.000 0.000 0.240 188 R C 2.505 178.613 176.300 -0.321 0.000 1.139 188 R CA 1.627 57.364 56.100 -0.604 0.000 0.952 188 R CB -0.345 29.736 30.300 -0.365 0.000 0.854 188 R HN 0.391 nan 8.270 nan 0.000 0.436 189 R N 0.756 121.136 120.500 -0.201 0.000 2.080 189 R HA -0.175 4.165 4.340 -0.000 0.000 0.236 189 R C 2.192 178.431 176.300 -0.101 0.000 1.137 189 R CA 1.869 57.897 56.100 -0.119 0.000 0.943 189 R CB -0.327 29.923 30.300 -0.083 0.000 0.846 189 R HN 0.409 nan 8.270 nan 0.000 0.431 190 E N 0.570 120.708 120.200 -0.103 0.000 2.187 190 E HA -0.245 4.105 4.350 -0.000 0.000 0.199 190 E C 1.959 178.526 176.600 -0.055 0.000 1.004 190 E CA 1.168 57.529 56.400 -0.065 0.000 0.813 190 E CB -0.191 29.481 29.700 -0.047 0.000 0.736 190 E HN 0.184 nan 8.360 nan 0.000 0.468 191 L N 0.443 121.610 121.223 -0.094 0.000 2.131 191 L HA -0.004 4.336 4.340 -0.000 0.000 0.206 191 L C 2.188 179.040 176.870 -0.030 0.000 1.087 191 L CA 1.551 56.365 54.840 -0.043 0.000 0.767 191 L CB -0.229 41.803 42.059 -0.046 0.000 0.917 191 L HN 0.025 nan 8.230 nan 0.000 0.441 192 A N -1.101 121.687 122.820 -0.053 0.000 1.968 192 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 192 A C 2.394 179.965 177.584 -0.022 0.000 1.169 192 A CA 1.432 53.449 52.037 -0.033 0.000 0.638 192 A CB -0.829 18.146 19.000 -0.042 0.000 0.812 192 A HN 0.591 nan 8.150 nan 0.000 0.446 193 S N -1.921 113.762 115.700 -0.027 0.000 2.558 193 S HA 0.351 4.821 4.470 -0.000 0.000 0.217 193 S C 1.524 176.118 174.600 -0.009 0.000 0.975 193 S CA 1.163 59.352 58.200 -0.018 0.000 0.912 193 S CB -0.264 62.923 63.200 -0.021 0.000 0.776 193 S HN 1.869 nan 8.310 nan 0.000 0.526 194 G N 1.231 110.027 108.800 -0.006 0.000 2.184 194 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.264 194 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.264 194 G C 0.691 175.595 174.900 0.006 0.000 0.975 194 G CA 0.646 45.748 45.100 0.003 0.000 0.642 194 G HN 0.587 nan 8.290 nan 0.000 0.536 195 Q N -1.258 118.542 119.800 0.000 0.000 2.290 195 Q HA 0.015 4.354 4.340 -0.000 0.000 0.211 195 Q C 0.824 176.832 176.000 0.014 0.000 0.991 195 Q CA 1.485 57.290 55.803 0.004 0.000 0.893 195 Q CB -0.077 28.658 28.738 -0.005 0.000 0.913 195 Q HN 0.598 nan 8.270 nan 0.000 0.428 196 L N 0.306 121.540 121.223 0.018 0.000 2.408 196 L HA 0.360 4.699 4.340 -0.000 0.000 0.268 196 L C -1.164 175.734 176.870 0.048 0.000 0.986 196 L CA -0.552 54.312 54.840 0.039 0.000 0.820 196 L CB 2.080 44.166 42.059 0.046 0.000 1.303 196 L HN -0.029 nan 8.230 nan 0.000 0.411 197 E N 4.132 124.364 120.200 0.054 0.000 2.259 197 E HA 0.177 4.527 4.350 -0.000 0.000 0.281 197 E C -0.338 176.296 176.600 0.057 0.000 1.037 197 E CA -0.576 55.851 56.400 0.046 0.000 0.854 197 E CB 0.810 30.532 29.700 0.036 0.000 1.051 197 E HN 0.589 nan 8.360 nan 0.000 0.409 198 R N 2.827 123.356 120.500 0.048 0.000 2.643 198 R HA 0.153 4.493 4.340 -0.000 0.000 0.270 198 R C -0.302 176.013 176.300 0.025 0.000 1.061 198 R CA 0.654 56.783 56.100 0.049 0.000 1.107 198 R CB 0.725 31.049 30.300 0.040 0.000 0.999 198 R HN 0.446 nan 8.270 nan 0.000 0.460 199 A N 2.608 125.437 122.820 0.015 0.000 2.571 199 A HA 0.434 4.754 4.320 -0.000 0.000 0.274 199 A C 0.366 177.940 177.584 -0.017 0.000 1.196 199 A CA 0.280 52.307 52.037 -0.017 0.000 0.957 199 A CB 0.443 19.411 19.000 -0.054 0.000 1.150 199 A HN 1.091 nan 8.150 nan 0.000 0.539 200 G N -0.786 108.016 108.800 0.004 0.000 2.339 200 G HA2 0.197 4.157 3.960 -0.000 0.000 0.275 200 G HA3 0.197 4.157 3.960 -0.000 0.000 0.275 200 G C -2.065 172.850 174.900 0.024 0.000 1.323 200 G CA -0.686 44.418 45.100 0.007 0.000 0.927 200 G HN -0.016 nan 8.290 nan 0.000 0.486 201 D N 0.978 121.393 120.400 0.025 0.000 2.351 201 D HA 0.332 4.972 4.640 -0.000 0.000 0.251 201 D C 1.012 177.347 176.300 0.057 0.000 1.137 201 D CA 0.459 54.481 54.000 0.038 0.000 0.879 201 D CB 1.170 41.988 40.800 0.030 0.000 1.181 201 D HN 0.600 nan 8.370 nan 0.000 0.448 202 N N 0.460 119.210 118.700 0.084 0.000 2.714 202 N HA -0.247 4.493 4.740 -0.000 0.000 0.250 202 N C -1.438 174.202 175.510 0.216 0.000 1.117 202 N CA 1.086 54.223 53.050 0.146 0.000 0.719 202 N CB -0.523 38.038 38.487 0.123 0.000 1.081 202 N HN 0.531 nan 8.380 nan 0.000 0.557 203 A N -1.127 121.781 122.820 0.147 0.000 2.454 203 A HA 0.907 5.227 4.320 -0.000 0.000 0.302 203 A C -0.514 177.129 177.584 0.100 0.000 1.079 203 A CA -0.044 52.027 52.037 0.056 0.000 0.731 203 A CB 1.714 20.690 19.000 -0.040 0.000 1.299 203 A HN 0.636 nan 8.150 nan 0.000 0.413 204 A N 1.320 124.166 122.820 0.042 0.000 2.324 204 A HA 0.643 4.963 4.320 -0.000 0.000 0.330 204 A C -0.042 177.538 177.584 -0.008 0.000 1.165 204 A CA -0.639 51.457 52.037 0.099 0.000 0.813 204 A CB 0.478 19.614 19.000 0.227 0.000 1.197 204 A HN 0.746 nan 8.150 nan 0.000 0.484 205 K N 0.786 121.192 120.400 0.010 0.000 2.448 205 K HA 0.375 4.695 4.320 -0.000 0.000 0.278 205 K C -0.814 175.787 176.600 0.001 0.000 1.009 205 K CA 0.357 56.632 56.287 -0.019 0.000 0.995 205 K CB 0.580 33.082 32.500 0.003 0.000 0.917 205 K HN 0.417 nan 8.250 nan 0.000 0.481 206 V N 1.411 121.309 119.914 -0.027 0.000 3.049 206 V HA 0.265 4.385 4.120 -0.000 0.000 0.309 206 V C -0.619 175.592 176.094 0.195 0.000 1.148 206 V CA -0.816 61.522 62.300 0.063 0.000 0.990 206 V CB 2.489 34.336 31.823 0.040 0.000 1.039 206 V HN 0.770 nan 8.190 nan 0.000 0.430 207 S N 1.844 117.720 115.700 0.293 0.000 2.638 207 S HA 0.874 5.344 4.470 -0.000 0.000 0.302 207 S C -1.371 173.411 174.600 0.303 0.000 1.096 207 S CA -0.496 57.916 58.200 0.353 0.000 0.953 207 S CB 1.865 65.184 63.200 0.200 0.000 1.107 207 S HN 0.561 nan 8.310 nan 0.000 0.503 208 L N 2.282 123.596 121.223 0.152 0.000 2.406 208 L HA 0.569 4.909 4.340 -0.000 0.000 0.272 208 L C -0.821 176.039 176.870 -0.016 0.000 0.980 208 L CA -0.264 54.508 54.840 -0.114 0.000 0.831 208 L CB 1.472 43.093 42.059 -0.730 0.000 1.253 208 L HN 0.539 nan 8.230 nan 0.000 0.406 209 K N 4.773 125.180 120.400 0.011 0.000 2.211 209 K HA 0.581 4.901 4.320 -0.000 0.000 0.275 209 K C -0.425 176.200 176.600 0.041 0.000 1.024 209 K CA -0.570 55.745 56.287 0.047 0.000 0.887 209 K CB 0.783 33.325 32.500 0.070 0.000 1.084 209 K HN 0.642 nan 8.250 nan 0.000 0.463 210 L N 2.350 123.595 121.223 0.037 0.000 2.506 210 L HA 0.114 4.453 4.340 -0.000 0.000 0.199 210 L C 1.759 178.677 176.870 0.080 0.000 1.178 210 L CA -0.397 54.460 54.840 0.029 0.000 0.868 210 L CB 0.074 42.154 42.059 0.035 0.000 1.451 210 L HN 0.749 nan 8.230 nan 0.000 0.526 211 E N 0.427 120.672 120.200 0.075 0.000 2.051 211 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 211 E C 1.351 178.005 176.600 0.089 0.000 0.991 211 E CA 1.929 58.395 56.400 0.110 0.000 0.799 211 E CB -0.096 29.667 29.700 0.105 0.000 0.748 211 E HN 0.775 nan 8.360 nan 0.000 0.449 212 D N -0.950 119.485 120.400 0.059 0.000 2.074 212 D HA -0.066 4.574 4.640 -0.000 0.000 0.221 212 D C 1.541 177.858 176.300 0.028 0.000 0.972 212 D CA 1.357 55.380 54.000 0.038 0.000 0.901 212 D CB -0.343 40.474 40.800 0.030 0.000 1.047 212 D HN 0.194 nan 8.370 nan 0.000 0.453 213 G N -1.301 107.514 108.800 0.026 0.000 3.858 213 G HA2 0.091 4.051 3.960 -0.000 0.000 0.164 213 G HA3 0.091 4.051 3.960 -0.000 0.000 0.164 213 G C 0.153 175.066 174.900 0.022 0.000 1.116 213 G CA 0.237 45.346 45.100 0.015 0.000 0.830 213 G HN 0.548 nan 8.290 nan 0.000 0.666 214 S N 0.734 116.451 115.700 0.029 0.000 2.596 214 S HA 0.541 5.011 4.470 -0.000 0.000 0.260 214 S C -0.097 174.531 174.600 0.047 0.000 1.336 214 S CA -0.193 58.026 58.200 0.032 0.000 0.993 214 S CB 1.251 64.469 63.200 0.031 0.000 0.923 214 S HN 0.151 nan 8.310 nan 0.000 0.567 215 Q N 0.142 119.970 119.800 0.048 0.000 2.214 215 Q HA 0.356 4.696 4.340 -0.000 0.000 0.251 215 Q C -1.160 174.902 176.000 0.104 0.000 0.936 215 Q CA -0.493 55.353 55.803 0.071 0.000 0.894 215 Q CB 1.017 29.789 28.738 0.055 0.000 1.252 215 Q HN 0.793 nan 8.270 nan 0.000 0.448 216 Y N 3.608 123.898 120.300 -0.017 0.000 2.316 216 Y HA 0.133 4.683 4.550 -0.000 0.000 0.331 216 Y C -1.235 174.682 175.900 0.028 0.000 1.083 216 Y CA -1.754 56.337 58.100 -0.016 0.000 1.206 216 Y CB 0.812 39.227 38.460 -0.075 0.000 1.195 216 Y HN 0.474 nan 8.280 nan 0.000 0.497 217 P HA -0.123 nan 4.420 nan 0.000 0.219 217 P C 1.149 178.350 177.300 -0.165 0.000 1.150 217 P CA 1.361 64.305 63.100 -0.259 0.000 0.814 217 P CB 0.559 32.073 31.700 -0.311 0.000 0.787 218 L N -1.179 119.905 121.223 -0.231 0.000 2.354 218 L HA 0.136 4.476 4.340 -0.000 0.000 0.212 218 L C 0.691 177.686 176.870 0.207 0.000 1.091 218 L CA 0.083 54.935 54.840 0.021 0.000 0.828 218 L CB -0.367 41.713 42.059 0.035 0.000 0.973 218 L HN 0.104 nan 8.230 nan 0.000 0.461 219 E N -0.623 119.831 120.200 0.425 0.000 7.598 219 E HA -0.118 4.232 4.350 -0.000 0.000 0.448 219 E C -0.639 175.928 176.600 -0.055 0.000 0.412 219 E CA 0.242 56.807 56.400 0.275 0.000 0.756 219 E CB -0.754 29.014 29.700 0.113 0.000 0.964 219 E HN 0.214 nan 8.360 nan 0.000 0.262 220 G N 3.355 111.810 108.800 -0.575 0.000 3.234 220 G HA2 0.740 4.700 3.960 -0.000 0.000 0.159 220 G HA3 0.740 4.700 3.960 -0.000 0.000 0.159 220 G C -0.727 173.777 174.900 -0.660 0.000 1.175 220 G CA -0.204 44.150 45.100 -1.243 0.000 0.900 220 G HN 0.646 nan 8.290 nan 0.000 0.621 221 R N -1.007 119.102 120.500 -0.652 0.000 2.522 221 R HA 0.403 4.743 4.340 -0.000 0.000 0.273 221 R C -2.271 173.870 176.300 -0.264 0.000 1.133 221 R CA -0.652 55.254 56.100 -0.324 0.000 0.969 221 R CB 1.559 31.715 30.300 -0.240 0.000 1.235 221 R HN 0.392 nan 8.270 nan 0.000 0.433 222 L N 4.258 125.326 121.223 -0.258 0.000 2.277 222 L HA 0.409 4.749 4.340 -0.000 0.000 0.284 222 L C -0.587 175.932 176.870 -0.585 0.000 1.028 222 L CA 0.011 54.629 54.840 -0.370 0.000 0.835 222 L CB 1.395 43.213 42.059 -0.402 0.000 1.215 222 L HN 0.572 nan 8.230 nan 0.000 0.425 223 E N 4.547 124.515 120.200 -0.388 0.000 2.283 223 E HA 0.113 4.463 4.350 -0.000 0.000 0.278 223 E C -0.121 176.269 176.600 -0.350 0.000 1.027 223 E CA -0.040 56.188 56.400 -0.287 0.000 0.843 223 E CB 1.003 30.650 29.700 -0.088 0.000 1.062 223 E HN 0.569 nan 8.360 nan 0.000 0.401 224 F N 0.569 120.525 119.950 0.011 0.000 2.727 224 F HA 0.029 4.556 4.527 -0.000 0.000 0.302 224 F C 0.804 176.604 175.800 0.001 0.000 1.097 224 F CA -0.275 57.728 58.000 0.006 0.000 1.330 224 F CB 0.707 39.711 39.000 0.007 0.000 1.084 224 F HN 0.176 nan 8.300 nan 0.000 0.578 225 S N 1.543 117.315 115.700 0.121 0.000 2.498 225 S HA 0.105 4.575 4.470 -0.000 0.000 0.281 225 S C -0.092 174.526 174.600 0.029 0.000 1.265 225 S CA -0.610 57.629 58.200 0.065 0.000 1.071 225 S CB 0.056 63.278 63.200 0.036 0.000 0.894 225 S HN 0.153 nan 8.310 nan 0.000 0.491 226 E N 1.748 121.967 120.200 0.032 0.000 2.392 226 E HA 0.146 4.496 4.350 -0.000 0.000 0.264 226 E C 0.541 177.128 176.600 -0.022 0.000 1.024 226 E CA -0.355 56.050 56.400 0.009 0.000 0.903 226 E CB 0.434 30.143 29.700 0.015 0.000 0.963 226 E HN 0.278 nan 8.360 nan 0.000 0.432 227 V N 1.304 121.191 119.914 -0.045 0.000 3.085 227 V HA 0.088 4.208 4.120 -0.000 0.000 0.245 227 V C -0.029 176.031 176.094 -0.056 0.000 1.114 227 V CA 1.459 63.716 62.300 -0.072 0.000 1.108 227 V CB 0.356 32.103 31.823 -0.128 0.000 0.798 227 V HN 0.825 nan 8.190 nan 0.000 0.471 228 S N -1.548 114.127 115.700 -0.043 0.000 2.570 228 S HA 0.697 5.167 4.470 -0.000 0.000 0.270 228 S C -1.330 173.259 174.600 -0.017 0.000 1.149 228 S CA -0.624 57.557 58.200 -0.031 0.000 0.837 228 S CB 2.093 65.272 63.200 -0.036 0.000 1.124 228 S HN -0.071 nan 8.310 nan 0.000 0.465 229 V N 2.154 122.061 119.914 -0.012 0.000 2.407 229 V HA 0.424 4.543 4.120 -0.000 0.000 0.291 229 V C -0.141 175.950 176.094 -0.006 0.000 1.018 229 V CA -0.699 61.598 62.300 -0.006 0.000 0.842 229 V CB 1.429 33.250 31.823 -0.002 0.000 0.996 229 V HN 1.034 nan 8.190 nan 0.000 0.426 230 D N 3.362 123.760 120.400 -0.004 0.000 2.423 230 D HA 0.034 4.674 4.640 -0.000 0.000 0.238 230 D C 0.992 177.291 176.300 -0.002 0.000 1.142 230 D CA 0.196 54.194 54.000 -0.003 0.000 0.884 230 D CB 1.401 42.201 40.800 -0.000 0.000 1.199 230 D HN 0.691 nan 8.370 nan 0.000 0.438 231 E N 1.977 122.176 120.200 -0.003 0.000 2.076 231 E HA -0.061 4.288 4.350 -0.000 0.000 0.190 231 E C 1.796 178.396 176.600 -0.001 0.000 0.979 231 E CA 0.689 57.087 56.400 -0.002 0.000 0.807 231 E CB -0.030 29.668 29.700 -0.003 0.000 0.761 231 E HN 0.664 nan 8.360 nan 0.000 0.454 232 G N 1.759 110.559 108.800 0.000 0.000 2.454 232 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.214 232 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.214 232 G C 1.091 175.992 174.900 0.002 0.000 1.217 232 G CA 1.168 46.269 45.100 0.001 0.000 0.799 232 G HN 0.327 nan 8.290 nan 0.000 0.538 233 T N -1.380 113.176 114.554 0.003 0.000 2.788 233 T HA 0.467 4.817 4.350 -0.000 0.000 0.287 233 T C 1.272 175.974 174.700 0.004 0.000 1.007 233 T CA 0.033 62.135 62.100 0.005 0.000 1.005 233 T CB 1.661 70.533 68.868 0.007 0.000 1.012 233 T HN 0.249 nan 8.240 nan 0.000 0.530 234 G N 0.387 109.190 108.800 0.005 0.000 3.295 234 G HA2 0.245 4.205 3.960 -0.000 0.000 0.231 234 G HA3 0.245 4.205 3.960 -0.000 0.000 0.231 234 G C 0.341 175.246 174.900 0.007 0.000 1.277 234 G CA -0.500 44.603 45.100 0.005 0.000 1.013 234 G HN 0.654 nan 8.290 nan 0.000 0.509 235 S N -0.444 115.261 115.700 0.008 0.000 2.548 235 S HA 0.424 4.894 4.470 -0.000 0.000 0.277 235 S C 0.161 174.766 174.600 0.009 0.000 1.315 235 S CA -0.338 57.869 58.200 0.010 0.000 1.050 235 S CB 1.278 64.485 63.200 0.010 0.000 0.918 235 S HN 0.079 nan 8.310 nan 0.000 0.497 236 V N 4.179 124.101 119.914 0.014 0.000 2.513 236 V HA 0.476 4.596 4.120 -0.000 0.000 0.299 236 V C 0.103 176.203 176.094 0.011 0.000 1.035 236 V CA -0.768 61.540 62.300 0.014 0.000 0.889 236 V CB 2.032 33.871 31.823 0.026 0.000 0.988 236 V HN 0.836 nan 8.190 nan 0.000 0.440 237 T N 6.061 120.612 114.554 -0.005 0.000 2.771 237 T HA 0.733 5.083 4.350 -0.000 0.000 0.281 237 T C -0.207 174.476 174.700 -0.028 0.000 0.982 237 T CA -0.149 61.940 62.100 -0.019 0.000 0.978 237 T CB 0.893 69.739 68.868 -0.038 0.000 0.930 237 T HN 0.637 nan 8.240 nan 0.000 0.447 238 I N 0.089 120.642 120.570 -0.028 0.000 3.170 238 I HA 0.817 4.987 4.170 -0.000 0.000 0.312 238 I C -0.537 175.533 176.117 -0.078 0.000 1.085 238 I CA -1.660 59.610 61.300 -0.050 0.000 0.999 238 I CB 2.031 40.016 38.000 -0.026 0.000 1.233 238 I HN 0.307 nan 8.210 nan 0.000 0.467 239 R N 1.237 121.678 120.500 -0.099 0.000 2.803 239 R HA 0.846 5.186 4.340 -0.000 0.000 0.276 239 R C -1.134 175.164 176.300 -0.004 0.000 0.978 239 R CA -0.880 55.179 56.100 -0.068 0.000 0.939 239 R CB 2.239 32.428 30.300 -0.186 0.000 1.179 239 R HN 0.881 nan 8.270 nan 0.000 0.472 240 A N 1.593 124.474 122.820 0.103 0.000 2.340 240 A HA 0.669 4.989 4.320 -0.000 0.000 0.331 240 A C -0.883 176.843 177.584 0.237 0.000 1.140 240 A CA -0.649 51.460 52.037 0.121 0.000 0.801 240 A CB 1.436 20.584 19.000 0.246 0.000 1.234 240 A HN 0.384 nan 8.150 nan 0.000 0.469 241 V N 1.758 121.698 119.914 0.043 0.000 2.448 241 V HA 0.544 4.664 4.120 -0.000 0.000 0.295 241 V C -1.165 174.787 176.094 -0.236 0.000 1.025 241 V CA -0.229 62.073 62.300 0.005 0.000 0.859 241 V CB 0.734 32.527 31.823 -0.050 0.000 0.988 241 V HN 0.693 nan 8.190 nan 0.000 0.431 242 F N 4.856 124.734 119.950 -0.121 0.000 2.495 242 F HA 0.625 5.152 4.527 -0.000 0.000 0.327 242 F C -2.193 173.532 175.800 -0.127 0.000 1.103 242 F CA -2.678 55.257 58.000 -0.109 0.000 0.949 242 F CB 2.009 40.894 39.000 -0.192 0.000 1.142 242 F HN 0.300 nan 8.300 nan 0.000 0.457 243 P HA 0.029 nan 4.420 nan 0.000 0.266 243 P C -0.526 176.890 177.300 0.193 0.000 1.193 243 P CA 0.340 63.485 63.100 0.074 0.000 0.770 243 P CB 0.420 32.168 31.700 0.080 0.000 0.836 244 N N 1.913 120.673 118.700 0.099 0.000 2.725 244 N HA 0.194 4.934 4.740 -0.000 0.000 0.225 244 N C -2.404 173.138 175.510 0.053 0.000 1.465 244 N CA -1.227 51.896 53.050 0.121 0.000 0.830 244 N CB 0.000 38.511 38.487 0.040 0.000 1.460 244 N HN 0.044 nan 8.380 nan 0.000 0.538 245 P HA 0.086 nan 4.420 nan 0.000 0.222 245 P C -0.683 176.624 177.300 0.011 0.000 1.153 245 P CA 0.850 63.956 63.100 0.010 0.000 0.798 245 P CB 0.239 31.939 31.700 0.001 0.000 0.796 246 N N 0.655 119.369 118.700 0.024 0.000 2.372 246 N HA 0.128 4.867 4.740 -0.000 0.000 0.291 246 N C -0.397 175.138 175.510 0.042 0.000 1.024 246 N CA -0.514 52.549 53.050 0.022 0.000 0.873 246 N CB 0.530 39.025 38.487 0.013 0.000 1.206 246 N HN -0.096 nan 8.380 nan 0.000 0.486 247 N N 1.691 120.409 118.700 0.029 0.000 3.117 247 N HA -0.030 4.710 4.740 -0.000 0.000 0.323 247 N C 0.776 176.309 175.510 0.038 0.000 1.245 247 N CA 0.217 53.283 53.050 0.028 0.000 1.191 247 N CB 0.026 38.521 38.487 0.013 0.000 1.451 247 N HN 0.608 nan 8.380 nan 0.000 0.555 248 E N -0.102 120.142 120.200 0.073 0.000 2.153 248 E HA -0.071 4.279 4.350 -0.000 0.000 0.194 248 E C 0.103 176.738 176.600 0.058 0.000 0.988 248 E CA 0.727 57.182 56.400 0.093 0.000 0.811 248 E CB 0.195 30.007 29.700 0.186 0.000 0.746 248 E HN 0.430 nan 8.360 nan 0.000 0.466 249 L N 1.692 122.931 121.223 0.027 0.000 2.295 249 L HA 0.418 4.758 4.340 -0.000 0.000 0.285 249 L C -0.328 176.517 176.870 -0.041 0.000 1.035 249 L CA -0.431 54.377 54.840 -0.053 0.000 0.806 249 L CB 1.149 43.113 42.059 -0.159 0.000 1.214 249 L HN -0.043 nan 8.230 nan 0.000 0.426 250 L N 3.329 124.523 121.223 -0.049 0.000 2.333 250 L HA 0.604 4.943 4.340 -0.000 0.000 0.263 250 L C -2.371 174.462 176.870 -0.061 0.000 1.014 250 L CA -2.191 52.625 54.840 -0.040 0.000 0.820 250 L CB 2.388 44.433 42.059 -0.024 0.000 1.352 250 L HN 0.290 nan 8.230 nan 0.000 0.421 251 P HA 0.084 nan 4.420 nan 0.000 0.265 251 P C 0.655 177.888 177.300 -0.113 0.000 1.187 251 P CA 0.886 63.946 63.100 -0.067 0.000 0.766 251 P CB 0.665 32.342 31.700 -0.038 0.000 0.820 252 G N 1.417 110.104 108.800 -0.189 0.000 2.284 252 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.230 252 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.230 252 G C 0.253 174.847 174.900 -0.510 0.000 1.021 252 G CA -0.190 44.726 45.100 -0.307 0.000 0.619 252 G HN 0.478 nan 8.290 nan 0.000 0.510 253 M N 1.065 120.481 119.600 -0.306 0.000 2.261 253 M HA 0.328 4.808 4.480 -0.000 0.000 0.350 253 M C -0.321 175.773 176.300 -0.343 0.000 1.343 253 M CA 0.603 55.767 55.300 -0.226 0.000 1.003 253 M CB -0.011 32.520 32.600 -0.115 0.000 1.848 253 M HN 0.133 nan 8.290 nan 0.000 0.456 254 F N 3.802 123.719 119.950 -0.055 0.000 2.375 254 F HA 0.417 4.944 4.527 -0.000 0.000 0.362 254 F C 0.409 176.145 175.800 -0.108 0.000 1.129 254 F CA -0.765 57.183 58.000 -0.086 0.000 1.154 254 F CB 0.057 39.022 39.000 -0.059 0.000 1.205 254 F HN 0.311 nan 8.300 nan 0.000 0.513 255 V N 0.017 119.893 119.914 -0.063 0.000 3.204 255 V HA 0.627 4.747 4.120 -0.000 0.000 0.316 255 V C -0.703 175.231 176.094 -0.267 0.000 1.160 255 V CA -0.827 61.422 62.300 -0.086 0.000 1.044 255 V CB 2.243 33.985 31.823 -0.135 0.000 1.136 255 V HN 0.606 nan 8.190 nan 0.000 0.455 256 H N 0.432 119.490 119.070 -0.020 0.000 2.689 256 H HA 0.752 5.308 4.556 -0.000 0.000 0.346 256 H C -0.336 174.986 175.328 -0.011 0.000 1.037 256 H CA 0.043 56.092 56.048 0.001 0.000 1.234 256 H CB 2.049 31.821 29.762 0.017 0.000 1.572 256 H HN 1.124 nan 8.280 nan 0.000 0.524 257 A N 3.205 126.085 122.820 0.100 0.000 2.306 257 A HA 0.457 4.777 4.320 -0.000 0.000 0.314 257 A C -0.321 177.343 177.584 0.133 0.000 1.164 257 A CA -0.674 51.429 52.037 0.109 0.000 0.822 257 A CB 0.959 20.035 19.000 0.127 0.000 1.130 257 A HN 0.724 nan 8.150 nan 0.000 0.496 258 Q N 0.791 120.678 119.800 0.144 0.000 2.333 258 Q HA 0.668 5.008 4.340 -0.000 0.000 0.267 258 Q C -1.338 174.734 176.000 0.120 0.000 1.012 258 Q CA -0.123 55.753 55.803 0.122 0.000 0.824 258 Q CB 2.393 31.195 28.738 0.108 0.000 1.290 258 Q HN 0.677 nan 8.270 nan 0.000 0.449 259 L N 1.803 123.088 121.223 0.103 0.000 2.346 259 L HA 0.469 4.809 4.340 -0.000 0.000 0.274 259 L C -0.519 176.397 176.870 0.078 0.000 1.007 259 L CA -0.717 54.182 54.840 0.098 0.000 0.818 259 L CB 2.094 44.220 42.059 0.112 0.000 1.284 259 L HN 0.480 nan 8.230 nan 0.000 0.424 260 Q N 2.948 122.790 119.800 0.071 0.000 2.333 260 Q HA 0.411 4.750 4.340 -0.000 0.000 0.265 260 Q C -0.985 175.045 176.000 0.050 0.000 0.989 260 Q CA -0.489 55.348 55.803 0.056 0.000 0.842 260 Q CB 2.848 31.616 28.738 0.050 0.000 1.262 260 Q HN 0.381 nan 8.270 nan 0.000 0.451 261 E N 0.000 120.225 120.200 0.042 0.000 2.725 261 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 261 E CA 0.000 56.420 56.400 0.034 0.000 0.976 261 E CB 0.000 29.720 29.700 0.034 0.000 0.812 261 E HN 0.000 nan 8.360 nan 0.000 0.440