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 3cer_1_E DATA FIRST_RESID 16 DATA SEQUENCE VTVAGIDCGT NSIRLKIARX XXXGXHEVVP RILRVIRLGQ DVDKTHRFAD DATA SEQUENCE EALERAYVAA REFAGVIAEH PIDGLRFVAT SATRDAENRE EFEDEIERIL DATA SEQUENCE GVRPEVIPGT EEADLSFLGA TSVVNRDDLP APYLVVDLGG GSTELVIGGD DATA SEQUENCE GVSAPTTQVQ GAFSXNIGSV RXTERHLTND PPTQTQIDEA VADVDEHIDE DATA SEQUENCE AFRTVDAGKA RTIIGVSGTV TTXTALAXGL KEYDHTVVDG HRLSFEDAYA DATA SEQUENCE VDDKFLRXTR AERREYKTIH PGRIDVVGGG AVVWSRVLAR VSEAAKADHG DATA SEQUENCE EAIDSFVASE HGLLDGIVLD YGRRLL 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 16 V HA 0.000 nan 4.120 nan 0.000 0.244 16 V C 0.000 176.116 176.094 0.036 0.000 1.182 16 V CA 0.000 62.308 62.300 0.013 0.000 1.235 16 V CB 0.000 31.823 31.823 -0.000 0.000 1.184 17 T N 3.355 117.940 114.554 0.051 0.000 3.155 17 T HA 0.511 4.862 4.350 0.001 0.000 0.384 17 T C -0.241 174.518 174.700 0.099 0.000 1.351 17 T CA -0.329 61.821 62.100 0.082 0.000 1.198 17 T CB 0.811 69.746 68.868 0.112 0.000 1.106 17 T HN 0.871 nan 8.240 nan 0.000 0.564 18 V N 0.502 120.481 119.914 0.109 0.000 2.837 18 V HA 1.030 5.150 4.120 0.001 0.000 0.310 18 V C 0.124 176.284 176.094 0.110 0.000 1.059 18 V CA -1.139 61.254 62.300 0.155 0.000 1.004 18 V CB 1.289 33.278 31.823 0.277 0.000 1.045 18 V HN 0.740 nan 8.190 nan 0.000 0.465 19 A N 1.627 124.497 122.820 0.084 0.000 2.387 19 A HA 1.062 5.383 4.320 0.001 0.000 0.303 19 A C 0.084 177.637 177.584 -0.053 0.000 1.145 19 A CA -0.280 51.765 52.037 0.013 0.000 0.801 19 A CB 1.672 20.680 19.000 0.013 0.000 1.342 19 A HN 2.034 nan 8.150 nan 0.000 0.440 20 G N -0.722 108.020 108.800 -0.098 0.000 2.698 20 G HA2 0.591 4.551 3.960 0.001 0.000 0.293 20 G HA3 0.591 4.551 3.960 0.001 0.000 0.293 20 G C -1.568 173.223 174.900 -0.181 0.000 1.437 20 G CA -0.447 44.564 45.100 -0.147 0.000 0.852 20 G HN 0.681 nan 8.290 nan 0.000 0.499 21 I N 0.733 121.194 120.570 -0.182 0.000 2.533 21 I HA 0.306 4.477 4.170 0.001 0.000 0.290 21 I C -1.501 174.414 176.117 -0.335 0.000 1.056 21 I CA -0.724 60.428 61.300 -0.246 0.000 1.057 21 I CB 2.603 40.564 38.000 -0.064 0.000 1.240 21 I HN 0.514 nan 8.210 nan 0.000 0.423 22 D N 5.335 125.563 120.400 -0.286 0.000 2.392 22 D HA 0.250 4.891 4.640 0.001 0.000 0.228 22 D C -1.125 175.034 176.300 -0.235 0.000 1.074 22 D CA -0.150 53.695 54.000 -0.259 0.000 0.838 22 D CB 1.355 42.059 40.800 -0.160 0.000 1.067 22 D HN 0.465 nan 8.370 nan 0.000 0.511 23 C N 5.108 124.215 119.300 -0.323 0.000 2.176 23 C HA 0.834 5.295 4.460 0.001 0.000 0.329 23 C C 0.909 175.840 174.990 -0.099 0.000 1.113 23 C CA -0.277 58.633 59.018 -0.180 0.000 1.562 23 C CB -1.245 26.360 27.740 -0.224 0.000 2.040 23 C HN 0.707 nan 8.230 nan 0.000 0.460 24 G N 3.446 112.212 108.800 -0.056 0.000 2.532 24 G HA2 0.372 4.333 3.960 0.001 0.000 0.291 24 G HA3 0.372 4.333 3.960 0.001 0.000 0.291 24 G C 0.907 175.799 174.900 -0.014 0.000 1.349 24 G CA 0.127 45.205 45.100 -0.037 0.000 1.038 24 G HN 0.532 nan 8.290 nan 0.000 0.518 25 T N -0.291 114.258 114.554 -0.007 0.000 2.812 25 T HA -0.120 4.231 4.350 0.001 0.000 0.264 25 T C 2.094 176.799 174.700 0.008 0.000 1.042 25 T CA 1.541 63.646 62.100 0.008 0.000 1.140 25 T CB -0.148 68.720 68.868 -0.000 0.000 0.870 25 T HN 0.453 nan 8.240 nan 0.000 0.445 26 N N 0.944 119.645 118.700 0.002 0.000 2.356 26 N HA 0.046 4.787 4.740 0.001 0.000 0.178 26 N C 0.174 175.696 175.510 0.020 0.000 1.075 26 N CA 0.277 53.333 53.050 0.010 0.000 0.889 26 N CB 0.511 39.002 38.487 0.007 0.000 0.999 26 N HN 0.441 nan 8.380 nan 0.000 0.464 27 S N -1.369 114.340 115.700 0.016 0.000 2.727 27 S HA 0.482 4.953 4.470 0.001 0.000 0.278 27 S C -1.234 173.391 174.600 0.042 0.000 1.186 27 S CA -0.982 57.239 58.200 0.034 0.000 0.836 27 S CB 1.260 64.480 63.200 0.034 0.000 1.186 27 S HN 0.036 nan 8.310 nan 0.000 0.499 28 I N 0.741 121.364 120.570 0.089 0.000 2.802 28 I HA 0.729 4.899 4.170 0.001 0.000 0.298 28 I C -1.621 174.604 176.117 0.179 0.000 1.176 28 I CA -0.819 60.566 61.300 0.142 0.000 1.025 28 I CB 1.894 40.061 38.000 0.277 0.000 1.243 28 I HN 1.043 nan 8.210 nan 0.000 0.424 29 R N 5.887 126.407 120.500 0.034 0.000 2.707 29 R HA 0.732 5.073 4.340 0.001 0.000 0.272 29 R C -2.310 173.731 176.300 -0.431 0.000 1.011 29 R CA -0.926 55.121 56.100 -0.087 0.000 0.893 29 R CB 2.121 32.378 30.300 -0.071 0.000 1.233 29 R HN 0.481 nan 8.270 nan 0.000 0.464 30 L N 0.799 121.683 121.223 -0.565 0.000 2.401 30 L HA 0.653 4.993 4.340 0.001 0.000 0.266 30 L C -1.442 175.264 176.870 -0.273 0.000 0.991 30 L CA -0.367 54.109 54.840 -0.608 0.000 0.818 30 L CB 2.202 43.599 42.059 -1.104 0.000 1.321 30 L HN 0.866 nan 8.230 nan 0.000 0.413 31 K N 4.687 124.972 120.400 -0.193 0.000 2.498 31 K HA 0.724 5.045 4.320 0.001 0.000 0.254 31 K C -1.932 174.624 176.600 -0.072 0.000 0.933 31 K CA -0.562 55.660 56.287 -0.107 0.000 0.806 31 K CB 1.682 34.130 32.500 -0.087 0.000 1.301 31 K HN 0.716 nan 8.250 nan 0.000 0.432 32 I N 3.017 123.560 120.570 -0.045 0.000 2.499 32 I HA 0.663 4.834 4.170 0.001 0.000 0.288 32 I C -0.485 175.625 176.117 -0.012 0.000 1.048 32 I CA -0.542 60.749 61.300 -0.013 0.000 1.062 32 I CB 1.920 39.920 38.000 -0.000 0.000 1.238 32 I HN 0.858 nan 8.210 nan 0.000 0.426 33 A N 6.088 128.919 122.820 0.019 0.000 2.791 33 A HA 0.871 5.192 4.320 0.001 0.000 0.309 33 A C -1.244 176.376 177.584 0.060 0.000 1.200 33 A CA -0.751 51.304 52.037 0.030 0.000 0.635 33 A CB 1.643 20.652 19.000 0.016 0.000 1.393 33 A HN 0.754 nan 8.150 nan 0.000 0.557 42 E N 3.069 123.280 120.200 0.018 0.000 2.463 42 E HA -0.001 4.350 4.350 0.001 0.000 0.248 42 E C 0.672 177.265 176.600 -0.011 0.000 1.106 42 E CA 0.053 56.450 56.400 -0.005 0.000 0.946 42 E CB 1.040 30.728 29.700 -0.021 0.000 0.971 42 E HN 0.359 nan 8.360 nan 0.000 0.478 43 V N 3.588 123.476 119.914 -0.043 0.000 2.488 43 V HA -0.086 4.034 4.120 0.001 0.000 0.246 43 V C 0.717 176.717 176.094 -0.158 0.000 1.046 43 V CA 0.875 63.097 62.300 -0.131 0.000 1.053 43 V CB 0.287 31.975 31.823 -0.225 0.000 0.679 43 V HN 0.341 nan 8.190 nan 0.000 0.458 44 V N 2.267 122.116 119.914 -0.107 0.000 2.569 44 V HA 0.375 4.495 4.120 0.001 0.000 0.301 44 V C -2.437 173.627 176.094 -0.050 0.000 1.044 44 V CA -1.713 60.539 62.300 -0.080 0.000 0.874 44 V CB 2.052 33.832 31.823 -0.070 0.000 1.002 44 V HN 0.167 nan 8.190 nan 0.000 0.424 45 P HA 0.016 nan 4.420 nan 0.000 0.270 45 P C -0.216 177.055 177.300 -0.049 0.000 1.221 45 P CA -0.378 62.698 63.100 -0.041 0.000 0.788 45 P CB 0.808 32.483 31.700 -0.043 0.000 0.904 46 R N 1.693 122.157 120.500 -0.061 0.000 2.623 46 R HA 0.115 4.455 4.340 0.001 0.000 0.271 46 R C -0.580 175.683 176.300 -0.063 0.000 1.043 46 R CA 0.224 56.283 56.100 -0.069 0.000 1.083 46 R CB -0.279 29.978 30.300 -0.071 0.000 0.974 46 R HN 0.369 nan 8.270 nan 0.000 0.436 47 I N 6.553 127.105 120.570 -0.030 0.000 2.437 47 I HA 0.174 4.345 4.170 0.001 0.000 0.279 47 I C -0.243 175.931 176.117 0.095 0.000 1.028 47 I CA -1.108 60.222 61.300 0.049 0.000 1.142 47 I CB 0.872 38.981 38.000 0.182 0.000 1.266 47 I HN 0.425 nan 8.210 nan 0.000 0.461 48 L N 8.020 129.253 121.223 0.016 0.000 2.334 48 L HA 0.587 4.928 4.340 0.001 0.000 0.277 48 L C -0.332 176.564 176.870 0.042 0.000 1.075 48 L CA 0.239 55.088 54.840 0.014 0.000 0.804 48 L CB 0.598 42.599 42.059 -0.097 0.000 1.174 48 L HN 0.396 nan 8.230 nan 0.000 0.438 49 R N 4.435 124.993 120.500 0.098 0.000 2.631 49 R HA 0.237 4.578 4.340 0.001 0.000 0.289 49 R C -1.386 174.968 176.300 0.090 0.000 1.303 49 R CA -0.652 55.497 56.100 0.081 0.000 0.989 49 R CB 1.323 31.650 30.300 0.045 0.000 1.208 49 R HN 0.529 nan 8.270 nan 0.000 0.461 50 V N 6.428 126.416 119.914 0.123 0.000 2.382 50 V HA 0.021 4.142 4.120 0.001 0.000 0.250 50 V C 1.535 177.667 176.094 0.065 0.000 1.069 50 V CA 0.444 62.814 62.300 0.117 0.000 1.130 50 V CB -0.663 31.284 31.823 0.208 0.000 1.165 50 V HN 0.691 nan 8.190 nan 0.000 0.483 51 I N 3.341 123.936 120.570 0.042 0.000 2.876 51 I HA 0.226 4.397 4.170 0.001 0.000 0.264 51 I C 1.306 177.420 176.117 -0.004 0.000 1.204 51 I CA 0.176 61.482 61.300 0.010 0.000 1.485 51 I CB -0.390 37.612 38.000 0.003 0.000 1.103 51 I HN 0.629 nan 8.210 nan 0.000 0.446 52 R N 0.662 121.167 120.500 0.007 0.000 3.336 52 R HA -0.139 4.202 4.340 0.001 0.000 0.260 52 R C 0.914 177.211 176.300 -0.005 0.000 1.032 52 R CA 0.386 56.488 56.100 0.005 0.000 0.693 52 R CB -2.489 27.814 30.300 0.004 0.000 1.134 52 R HN 0.499 nan 8.270 nan 0.000 0.433 53 L N -0.615 120.595 121.223 -0.022 0.000 2.191 53 L HA -0.082 4.259 4.340 0.001 0.000 0.212 53 L C 2.054 178.971 176.870 0.079 0.000 1.103 53 L CA 1.802 56.607 54.840 -0.058 0.000 0.769 53 L CB -0.100 41.858 42.059 -0.168 0.000 0.908 53 L HN 0.601 nan 8.230 nan 0.000 0.438 54 G N -0.724 108.119 108.800 0.072 0.000 3.332 54 G HA2 -0.106 3.854 3.960 0.001 0.000 0.242 54 G HA3 -0.106 3.854 3.960 0.001 0.000 0.242 54 G C 0.469 175.398 174.900 0.048 0.000 1.276 54 G CA -0.355 44.791 45.100 0.077 0.000 0.988 54 G HN 0.255 nan 8.290 nan 0.000 0.517 55 Q N 1.685 121.519 119.800 0.056 0.000 2.317 55 Q HA 0.027 4.368 4.340 0.001 0.000 0.286 55 Q C 0.493 176.510 176.000 0.028 0.000 1.198 55 Q CA 0.401 56.225 55.803 0.035 0.000 0.973 55 Q CB -0.469 28.290 28.738 0.035 0.000 1.207 55 Q HN 0.459 nan 8.270 nan 0.000 0.416 56 D N 2.030 122.436 120.400 0.010 0.000 3.039 56 D HA -0.199 4.441 4.640 0.001 0.000 0.222 56 D C 0.328 176.625 176.300 -0.004 0.000 1.179 56 D CA 0.903 54.903 54.000 -0.001 0.000 0.880 56 D CB -1.424 39.375 40.800 -0.000 0.000 1.115 56 D HN 0.463 nan 8.370 nan 0.000 0.416 57 V N 0.113 120.020 119.914 -0.013 0.000 3.078 57 V HA -0.204 3.917 4.120 0.001 0.000 0.265 57 V C 2.275 178.367 176.094 -0.005 0.000 1.122 57 V CA 1.903 64.172 62.300 -0.051 0.000 1.141 57 V CB -0.186 31.562 31.823 -0.125 0.000 0.735 57 V HN 0.192 nan 8.190 nan 0.000 0.498 58 D N 0.768 121.172 120.400 0.006 0.000 2.084 58 D HA -0.200 4.441 4.640 0.001 0.000 0.194 58 D C 2.217 178.587 176.300 0.116 0.000 0.990 58 D CA 1.704 55.722 54.000 0.031 0.000 0.826 58 D CB 0.034 40.826 40.800 -0.012 0.000 0.971 58 D HN 0.386 nan 8.370 nan 0.000 0.453 59 K N -0.924 119.496 120.400 0.034 0.000 2.141 59 K HA -0.001 4.320 4.320 0.001 0.000 0.202 59 K C 1.979 178.484 176.600 -0.159 0.000 1.045 59 K CA 0.995 57.243 56.287 -0.065 0.000 0.971 59 K CB -0.085 32.365 32.500 -0.083 0.000 0.795 59 K HN 0.038 nan 8.250 nan 0.000 0.459 60 T N 0.558 115.078 114.554 -0.056 0.000 2.778 60 T HA -0.152 4.199 4.350 0.001 0.000 0.269 60 T C 0.061 174.771 174.700 0.015 0.000 1.050 60 T CA 1.576 63.646 62.100 -0.051 0.000 1.137 60 T CB -0.482 68.376 68.868 -0.017 0.000 0.860 60 T HN 0.520 nan 8.240 nan 0.000 0.468 61 H N 1.147 120.159 119.070 -0.096 0.000 2.899 61 H HA -0.159 4.398 4.556 0.001 0.000 0.282 61 H C 0.337 175.567 175.328 -0.164 0.000 1.198 61 H CA 0.528 56.502 56.048 -0.123 0.000 1.140 61 H CB -1.040 28.672 29.762 -0.084 0.000 1.317 61 H HN 0.572 nan 8.280 nan 0.000 0.375 62 R N -1.131 119.319 120.500 -0.083 0.000 2.664 62 R HA 0.318 4.659 4.340 0.001 0.000 0.260 62 R C -1.221 174.994 176.300 -0.142 0.000 1.062 62 R CA -0.949 55.056 56.100 -0.159 0.000 0.902 62 R CB 0.693 30.975 30.300 -0.029 0.000 1.258 62 R HN -0.102 nan 8.270 nan 0.000 0.465 63 F N 1.446 121.379 119.950 -0.028 0.000 2.545 63 F HA 0.380 4.908 4.527 0.001 0.000 0.348 63 F C 1.406 177.195 175.800 -0.019 0.000 1.163 63 F CA 0.799 58.764 58.000 -0.058 0.000 1.331 63 F CB 0.500 39.437 39.000 -0.104 0.000 1.138 63 F HN 0.791 nan 8.300 nan 0.000 0.602 64 A N 1.275 124.217 122.820 0.204 0.000 2.259 64 A HA 0.258 4.579 4.320 0.001 0.000 0.278 64 A C 0.705 178.351 177.584 0.103 0.000 1.107 64 A CA -0.438 51.665 52.037 0.110 0.000 0.828 64 A CB 0.170 19.212 19.000 0.069 0.000 1.111 64 A HN 0.776 nan 8.150 nan 0.000 0.498 65 D N -0.824 119.623 120.400 0.078 0.000 2.369 65 D HA 0.088 4.729 4.640 0.001 0.000 0.211 65 D C 0.476 176.812 176.300 0.060 0.000 1.077 65 D CA 0.511 54.561 54.000 0.082 0.000 0.842 65 D CB 0.582 41.429 40.800 0.078 0.000 0.947 65 D HN 0.605 nan 8.370 nan 0.000 0.509 66 E N 0.627 120.849 120.200 0.038 0.000 2.290 66 E HA 0.172 4.522 4.350 0.001 0.000 0.199 66 E C 1.919 178.516 176.600 -0.006 0.000 0.912 66 E CA 0.270 56.683 56.400 0.021 0.000 0.924 66 E CB -0.100 29.611 29.700 0.018 0.000 0.901 66 E HN 0.058 nan 8.360 nan 0.000 0.487 67 A N 0.782 123.595 122.820 -0.012 0.000 1.968 67 A HA -0.055 4.265 4.320 0.001 0.000 0.217 67 A C 1.923 179.419 177.584 -0.147 0.000 1.169 67 A CA 0.784 52.789 52.037 -0.053 0.000 0.638 67 A CB -0.359 18.632 19.000 -0.015 0.000 0.812 67 A HN 0.152 nan 8.150 nan 0.000 0.446 68 L N -0.134 121.012 121.223 -0.128 0.000 1.976 68 L HA -0.128 4.213 4.340 0.001 0.000 0.209 68 L C 2.429 179.020 176.870 -0.465 0.000 1.071 68 L CA 2.467 57.145 54.840 -0.270 0.000 0.746 68 L CB -0.865 41.203 42.059 0.016 0.000 0.890 68 L HN 0.539 nan 8.230 nan 0.000 0.432 69 E N 0.361 120.519 120.200 -0.070 0.000 2.012 69 E HA -0.271 4.080 4.350 0.001 0.000 0.197 69 E C 2.297 178.895 176.600 -0.004 0.000 1.007 69 E CA 1.895 58.350 56.400 0.092 0.000 0.816 69 E CB -0.313 29.448 29.700 0.101 0.000 0.762 69 E HN 0.464 nan 8.360 nan 0.000 0.451 70 R N 0.245 120.722 120.500 -0.038 0.000 2.211 70 R HA -0.077 4.263 4.340 0.001 0.000 0.240 70 R C 2.093 178.350 176.300 -0.071 0.000 1.144 70 R CA 1.389 57.465 56.100 -0.039 0.000 0.992 70 R CB -0.499 29.781 30.300 -0.033 0.000 0.869 70 R HN 0.201 nan 8.270 nan 0.000 0.462 71 A N 0.994 123.720 122.820 -0.157 0.000 1.874 71 A HA -0.061 4.260 4.320 0.001 0.000 0.214 71 A C 1.629 179.152 177.584 -0.102 0.000 1.189 71 A CA 0.694 52.639 52.037 -0.152 0.000 0.615 71 A CB -0.598 18.268 19.000 -0.224 0.000 0.830 71 A HN 0.376 nan 8.150 nan 0.000 0.443 72 Y N 0.376 120.676 120.300 0.000 0.000 2.181 72 Y HA -0.166 4.384 4.550 0.001 0.000 0.288 72 Y C 2.571 178.425 175.900 -0.077 0.000 1.146 72 Y CA 0.861 58.927 58.100 -0.056 0.000 1.164 72 Y CB -1.222 37.200 38.460 -0.064 0.000 0.982 72 Y HN 0.072 nan 8.280 nan 0.000 0.515 73 V N -0.090 119.872 119.914 0.079 0.000 2.439 73 V HA -0.370 3.751 4.120 0.001 0.000 0.253 73 V C 2.402 178.445 176.094 -0.085 0.000 1.074 73 V CA 1.936 64.234 62.300 -0.003 0.000 1.076 73 V CB -1.364 30.449 31.823 -0.016 0.000 0.664 73 V HN 0.490 nan 8.190 nan 0.000 0.461 74 A N -0.664 122.080 122.820 -0.127 0.000 1.943 74 A HA 0.270 4.591 4.320 0.001 0.000 0.213 74 A C 2.375 179.719 177.584 -0.400 0.000 1.181 74 A CA 1.213 53.056 52.037 -0.323 0.000 0.653 74 A CB -0.520 18.306 19.000 -0.289 0.000 0.833 74 A HN 0.513 nan 8.150 nan 0.000 0.451 75 A N 0.398 123.158 122.820 -0.101 0.000 1.908 75 A HA -0.179 4.141 4.320 0.001 0.000 0.218 75 A C 2.234 179.814 177.584 -0.006 0.000 1.181 75 A CA 1.562 53.622 52.037 0.038 0.000 0.627 75 A CB -0.465 18.591 19.000 0.094 0.000 0.818 75 A HN 0.522 nan 8.150 nan 0.000 0.445 76 R N -0.832 119.643 120.500 -0.042 0.000 2.075 76 R HA -0.130 4.211 4.340 0.001 0.000 0.232 76 R C 2.296 178.564 176.300 -0.054 0.000 1.126 76 R CA 1.390 57.464 56.100 -0.043 0.000 0.963 76 R CB -0.315 29.958 30.300 -0.044 0.000 0.858 76 R HN 0.795 nan 8.270 nan 0.000 0.435 77 E N 0.272 120.391 120.200 -0.136 0.000 2.085 77 E HA -0.205 4.146 4.350 0.001 0.000 0.194 77 E C 1.527 178.105 176.600 -0.037 0.000 0.994 77 E CA 1.262 57.574 56.400 -0.146 0.000 0.801 77 E CB -0.016 29.518 29.700 -0.276 0.000 0.743 77 E HN 0.147 nan 8.360 nan 0.000 0.453 78 F N 0.806 120.765 119.950 0.014 0.000 2.102 78 F HA -0.093 4.435 4.527 0.001 0.000 0.298 78 F C 2.473 178.279 175.800 0.010 0.000 1.105 78 F CA 1.078 59.090 58.000 0.019 0.000 1.239 78 F CB -1.188 37.837 39.000 0.041 0.000 0.991 78 F HN 0.110 nan 8.300 nan 0.000 0.474 79 A N 0.044 122.976 122.820 0.186 0.000 2.019 79 A HA -0.029 4.292 4.320 0.001 0.000 0.219 79 A C 2.546 180.170 177.584 0.066 0.000 1.164 79 A CA 1.658 53.748 52.037 0.089 0.000 0.644 79 A CB -1.488 17.531 19.000 0.031 0.000 0.805 79 A HN 0.410 nan 8.150 nan 0.000 0.449 80 G N -1.054 107.783 108.800 0.061 0.000 2.464 80 G HA2 0.058 4.019 3.960 0.001 0.000 0.217 80 G HA3 0.058 4.019 3.960 0.001 0.000 0.217 80 G C 1.268 176.204 174.900 0.060 0.000 1.138 80 G CA 1.035 46.160 45.100 0.041 0.000 0.793 80 G HN 0.323 nan 8.290 nan 0.000 0.539 81 V N 1.495 121.467 119.914 0.098 0.000 3.129 81 V HA 0.043 4.164 4.120 0.001 0.000 0.259 81 V C 2.284 178.439 176.094 0.101 0.000 1.116 81 V CA 0.528 62.891 62.300 0.105 0.000 1.127 81 V CB -0.085 31.830 31.823 0.153 0.000 0.742 81 V HN 0.271 nan 8.190 nan 0.000 0.474 82 I N 0.699 121.327 120.570 0.096 0.000 3.251 82 I HA 0.085 4.255 4.170 0.001 0.000 0.277 82 I C 2.225 178.382 176.117 0.067 0.000 1.268 82 I CA 1.129 62.479 61.300 0.084 0.000 1.449 82 I CB -1.121 36.920 38.000 0.068 0.000 1.083 82 I HN 0.315 nan 8.210 nan 0.000 0.464 83 A N 0.244 123.098 122.820 0.057 0.000 2.275 83 A HA 0.072 4.393 4.320 0.001 0.000 0.212 83 A C 1.662 179.272 177.584 0.044 0.000 1.201 83 A CA 0.249 52.309 52.037 0.038 0.000 0.843 83 A CB -0.290 18.726 19.000 0.026 0.000 0.873 83 A HN 0.399 nan 8.150 nan 0.000 0.492 84 E N -1.455 118.789 120.200 0.072 0.000 2.526 84 E HA 0.172 4.522 4.350 0.001 0.000 0.208 84 E C -0.653 176.041 176.600 0.156 0.000 0.997 84 E CA -0.038 56.414 56.400 0.087 0.000 0.961 84 E CB 0.351 30.098 29.700 0.078 0.000 1.030 84 E HN 0.665 nan 8.360 nan 0.000 0.483 85 H N 0.139 119.220 119.070 0.018 0.000 3.123 85 H HA 0.162 4.718 4.556 0.001 0.000 0.346 85 H C -2.758 172.580 175.328 0.017 0.000 1.138 85 H CA -1.653 54.405 56.048 0.016 0.000 1.273 85 H CB 1.653 31.426 29.762 0.018 0.000 1.926 85 H HN -0.168 nan 8.280 nan 0.000 0.524 86 P HA 0.254 nan 4.420 nan 0.000 0.275 86 P C -1.018 176.225 177.300 -0.095 0.000 1.228 86 P CA -0.309 62.658 63.100 -0.222 0.000 0.786 86 P CB 1.273 32.819 31.700 -0.256 0.000 0.927 87 I N -1.698 118.865 120.570 -0.011 0.000 2.686 87 I HA 0.412 4.583 4.170 0.001 0.000 0.295 87 I C 0.065 176.207 176.117 0.041 0.000 1.114 87 I CA -0.712 60.616 61.300 0.046 0.000 1.038 87 I CB 1.604 39.650 38.000 0.076 0.000 1.238 87 I HN -0.018 nan 8.210 nan 0.000 0.420 88 D N 2.865 123.299 120.400 0.056 0.000 2.289 88 D HA 0.378 5.019 4.640 0.001 0.000 0.207 88 D C 0.656 177.002 176.300 0.076 0.000 0.966 88 D CA 1.254 55.279 54.000 0.043 0.000 0.868 88 D CB 0.445 41.259 40.800 0.024 0.000 0.943 88 D HN 0.942 nan 8.370 nan 0.000 0.514 89 G N -0.150 108.744 108.800 0.156 0.000 2.702 89 G HA2 0.468 4.429 3.960 0.001 0.000 0.296 89 G HA3 0.468 4.429 3.960 0.001 0.000 0.296 89 G C -2.197 172.934 174.900 0.385 0.000 1.463 89 G CA -0.584 44.712 45.100 0.326 0.000 0.890 89 G HN 0.033 nan 8.290 nan 0.000 0.534 90 L N 1.696 123.065 121.223 0.244 0.000 2.439 90 L HA 0.761 5.101 4.340 0.001 0.000 0.270 90 L C -0.805 175.895 176.870 -0.283 0.000 0.972 90 L CA -0.776 54.039 54.840 -0.041 0.000 0.836 90 L CB 1.855 43.921 42.059 0.011 0.000 1.255 90 L HN 0.761 nan 8.230 nan 0.000 0.404 91 R N 4.277 124.428 120.500 -0.581 0.000 2.445 91 R HA 0.479 4.820 4.340 0.001 0.000 0.308 91 R C -1.910 174.299 176.300 -0.152 0.000 0.961 91 R CA -0.544 55.249 56.100 -0.511 0.000 0.862 91 R CB 1.749 31.486 30.300 -0.938 0.000 1.144 91 R HN 0.531 nan 8.270 nan 0.000 0.447 92 F N 4.886 124.730 119.950 -0.176 0.000 2.427 92 F HA 0.436 4.964 4.527 0.001 0.000 0.346 92 F C -1.102 174.662 175.800 -0.059 0.000 1.120 92 F CA -0.553 57.389 58.000 -0.098 0.000 1.033 92 F CB 1.528 40.499 39.000 -0.049 0.000 1.126 92 F HN 0.137 nan 8.300 nan 0.000 0.462 93 V N 5.914 125.541 119.914 -0.478 0.000 2.407 93 V HA 0.668 4.789 4.120 0.001 0.000 0.291 93 V C -0.211 175.643 176.094 -0.401 0.000 1.018 93 V CA -0.900 61.215 62.300 -0.308 0.000 0.842 93 V CB 1.179 32.882 31.823 -0.200 0.000 0.996 93 V HN 0.965 nan 8.190 nan 0.000 0.426 94 A N 3.750 126.459 122.820 -0.185 0.000 2.289 94 A HA 0.715 5.036 4.320 0.001 0.000 0.298 94 A C 0.733 178.286 177.584 -0.051 0.000 1.208 94 A CA 0.020 52.006 52.037 -0.085 0.000 0.845 94 A CB 0.630 19.700 19.000 0.117 0.000 1.125 94 A HN 0.965 nan 8.150 nan 0.000 0.517 95 T N 0.096 114.616 114.554 -0.056 0.000 2.889 95 T HA 0.179 4.530 4.350 0.001 0.000 0.340 95 T C 1.356 176.045 174.700 -0.019 0.000 1.145 95 T CA 0.478 62.553 62.100 -0.041 0.000 0.986 95 T CB -0.092 68.748 68.868 -0.046 0.000 1.461 95 T HN 0.440 nan 8.240 nan 0.000 0.541 96 S N 0.338 116.021 115.700 -0.029 0.000 2.474 96 S HA 0.043 4.514 4.470 0.001 0.000 0.235 96 S C 2.360 176.936 174.600 -0.040 0.000 0.997 96 S CA 0.636 58.815 58.200 -0.036 0.000 0.949 96 S CB -0.983 62.190 63.200 -0.045 0.000 0.766 96 S HN 0.822 nan 8.310 nan 0.000 0.517 97 A N 1.369 124.178 122.820 -0.019 0.000 2.019 97 A HA -0.073 4.247 4.320 0.001 0.000 0.219 97 A C 2.035 179.607 177.584 -0.020 0.000 1.164 97 A CA 1.573 53.603 52.037 -0.012 0.000 0.644 97 A CB -0.788 18.238 19.000 0.043 0.000 0.805 97 A HN 0.458 nan 8.150 nan 0.000 0.449 98 T N -1.515 113.078 114.554 0.065 0.000 3.144 98 T HA 0.150 4.501 4.350 0.001 0.000 0.249 98 T C 1.421 176.115 174.700 -0.009 0.000 1.089 98 T CA 0.639 62.822 62.100 0.139 0.000 0.989 98 T CB -0.006 69.012 68.868 0.249 0.000 0.992 98 T HN 0.556 nan 8.240 nan 0.000 0.540 99 R N 0.677 121.136 120.500 -0.069 0.000 2.397 99 R HA 0.143 4.484 4.340 0.001 0.000 0.241 99 R C 0.695 176.908 176.300 -0.146 0.000 0.914 99 R CA 0.280 56.332 56.100 -0.080 0.000 1.071 99 R CB 0.432 30.698 30.300 -0.056 0.000 1.116 99 R HN 0.090 nan 8.270 nan 0.000 0.524 100 D N 0.181 120.453 120.400 -0.214 0.000 2.389 100 D HA 0.134 4.774 4.640 0.001 0.000 0.206 100 D C -0.138 175.957 176.300 -0.342 0.000 1.055 100 D CA 0.278 54.113 54.000 -0.274 0.000 0.856 100 D CB 1.037 41.693 40.800 -0.240 0.000 0.957 100 D HN 0.234 nan 8.370 nan 0.000 0.509 101 A N 0.611 123.178 122.820 -0.422 0.000 2.312 101 A HA 0.367 4.688 4.320 0.001 0.000 0.328 101 A C 0.774 178.217 177.584 -0.235 0.000 1.158 101 A CA -0.357 51.409 52.037 -0.451 0.000 0.821 101 A CB 1.764 20.153 19.000 -1.019 0.000 1.170 101 A HN -0.248 nan 8.150 nan 0.000 0.490 102 E N 0.501 120.625 120.200 -0.127 0.000 2.122 102 E HA -0.097 4.253 4.350 0.001 0.000 0.190 102 E C 1.192 177.800 176.600 0.013 0.000 0.977 102 E CA 1.559 57.936 56.400 -0.039 0.000 0.820 102 E CB -0.123 29.574 29.700 -0.005 0.000 0.770 102 E HN 0.894 nan 8.360 nan 0.000 0.462 103 N N 1.227 119.947 118.700 0.033 0.000 2.482 103 N HA -0.053 4.688 4.740 0.001 0.000 0.220 103 N C 1.111 176.774 175.510 0.256 0.000 1.255 103 N CA -0.165 52.966 53.050 0.135 0.000 0.850 103 N CB 0.005 38.589 38.487 0.162 0.000 1.127 103 N HN 0.108 nan 8.380 nan 0.000 0.475 104 R N 0.470 121.088 120.500 0.195 0.000 2.092 104 R HA -0.058 4.282 4.340 0.001 0.000 0.231 104 R C 0.890 177.404 176.300 0.356 0.000 1.119 104 R CA 0.789 57.093 56.100 0.340 0.000 0.970 104 R CB -0.297 30.111 30.300 0.180 0.000 0.864 104 R HN 0.249 nan 8.270 nan 0.000 0.440 105 E N 1.310 121.646 120.200 0.226 0.000 2.072 105 E HA -0.176 4.175 4.350 0.001 0.000 0.191 105 E C 1.902 178.616 176.600 0.190 0.000 0.985 105 E CA 0.883 57.392 56.400 0.182 0.000 0.801 105 E CB -0.234 29.536 29.700 0.117 0.000 0.750 105 E HN 0.420 nan 8.360 nan 0.000 0.452 106 E N 0.311 120.635 120.200 0.208 0.000 2.118 106 E HA -0.176 4.175 4.350 0.001 0.000 0.195 106 E C 1.890 178.634 176.600 0.240 0.000 0.992 106 E CA 0.521 57.034 56.400 0.189 0.000 0.804 106 E CB -0.201 29.616 29.700 0.194 0.000 0.741 106 E HN 0.169 nan 8.360 nan 0.000 0.458 107 F N 2.020 122.072 119.950 0.171 0.000 2.009 107 F HA -0.141 4.386 4.527 0.001 0.000 0.293 107 F C 2.204 178.080 175.800 0.126 0.000 1.156 107 F CA 2.090 60.181 58.000 0.151 0.000 1.168 107 F CB -0.595 38.460 39.000 0.091 0.000 0.981 107 F HN -0.021 nan 8.300 nan 0.000 0.475 108 E N -0.152 120.157 120.200 0.181 0.000 2.233 108 E HA -0.327 4.024 4.350 0.001 0.000 0.210 108 E C 1.752 178.290 176.600 -0.104 0.000 1.046 108 E CA 1.833 58.252 56.400 0.031 0.000 0.844 108 E CB -0.426 29.371 29.700 0.163 0.000 0.741 108 E HN 0.529 nan 8.360 nan 0.000 0.465 109 D N -0.048 120.317 120.400 -0.058 0.000 2.162 109 D HA -0.109 4.531 4.640 0.001 0.000 0.203 109 D C 1.869 178.073 176.300 -0.160 0.000 0.967 109 D CA 0.803 54.752 54.000 -0.085 0.000 0.840 109 D CB -0.162 40.617 40.800 -0.034 0.000 0.972 109 D HN 0.070 nan 8.370 nan 0.000 0.482 110 E N 0.188 120.265 120.200 -0.204 0.000 2.208 110 E HA -0.063 4.288 4.350 0.001 0.000 0.193 110 E C 1.664 178.044 176.600 -0.366 0.000 0.988 110 E CA 0.530 56.734 56.400 -0.326 0.000 0.828 110 E CB -0.068 29.343 29.700 -0.482 0.000 0.763 110 E HN 0.211 nan 8.360 nan 0.000 0.478 111 I N 0.273 120.622 120.570 -0.368 0.000 2.852 111 I HA -0.009 4.162 4.170 0.001 0.000 0.264 111 I C 2.169 178.071 176.117 -0.358 0.000 1.179 111 I CA 0.611 61.673 61.300 -0.396 0.000 1.480 111 I CB -0.221 37.393 38.000 -0.644 0.000 1.111 111 I HN 0.120 nan 8.210 nan 0.000 0.441 112 E N 1.801 121.825 120.200 -0.294 0.000 2.268 112 E HA -0.246 4.105 4.350 0.001 0.000 0.195 112 E C 2.247 178.751 176.600 -0.160 0.000 0.995 112 E CA 0.825 57.100 56.400 -0.207 0.000 0.836 112 E CB 0.106 29.723 29.700 -0.139 0.000 0.763 112 E HN 0.569 nan 8.360 nan 0.000 0.491 113 R N -0.141 120.257 120.500 -0.169 0.000 2.246 113 R HA 0.084 4.425 4.340 0.001 0.000 0.199 113 R C 1.883 178.103 176.300 -0.133 0.000 0.984 113 R CA 0.660 56.678 56.100 -0.136 0.000 1.015 113 R CB -0.134 30.082 30.300 -0.141 0.000 0.930 113 R HN 0.189 nan 8.270 nan 0.000 0.475 114 I N 0.322 120.796 120.570 -0.160 0.000 2.429 114 I HA -0.057 4.114 4.170 0.001 0.000 0.247 114 I C 1.918 177.974 176.117 -0.101 0.000 1.099 114 I CA 0.763 61.986 61.300 -0.128 0.000 1.422 114 I CB 0.012 37.932 38.000 -0.134 0.000 1.112 114 I HN 0.099 nan 8.210 nan 0.000 0.430 115 L N -0.498 120.644 121.223 -0.135 0.000 2.221 115 L HA 0.282 4.623 4.340 0.001 0.000 0.202 115 L C 1.780 178.600 176.870 -0.083 0.000 1.074 115 L CA 1.026 55.805 54.840 -0.102 0.000 0.795 115 L CB -0.132 41.834 42.059 -0.155 0.000 0.960 115 L HN 0.490 nan 8.230 nan 0.000 0.458 116 G N -0.616 108.120 108.800 -0.106 0.000 2.905 116 G HA2 -0.217 3.744 3.960 0.001 0.000 0.199 116 G HA3 -0.217 3.744 3.960 0.001 0.000 0.199 116 G C 0.230 175.092 174.900 -0.065 0.000 1.370 116 G CA -0.087 44.971 45.100 -0.070 0.000 0.966 116 G HN -0.016 nan 8.290 nan 0.000 0.522 117 V N 1.879 121.758 119.914 -0.058 0.000 3.319 117 V HA 0.555 4.676 4.120 0.001 0.000 0.303 117 V C 1.007 177.070 176.094 -0.052 0.000 1.094 117 V CA 0.126 62.410 62.300 -0.027 0.000 1.106 117 V CB 1.331 33.160 31.823 0.009 0.000 1.099 117 V HN 0.623 nan 8.190 nan 0.000 0.476 118 R N 1.751 122.253 120.500 0.003 0.000 2.346 118 R HA 0.401 4.742 4.340 0.001 0.000 0.311 118 R C -2.662 173.707 176.300 0.115 0.000 0.983 118 R CA -1.927 54.184 56.100 0.020 0.000 0.880 118 R CB 1.372 31.692 30.300 0.034 0.000 1.100 118 R HN 0.484 nan 8.270 nan 0.000 0.453 119 P HA -0.084 nan 4.420 nan 0.000 0.261 119 P C -1.271 176.181 177.300 0.254 0.000 1.183 119 P CA 0.609 63.978 63.100 0.449 0.000 0.761 119 P CB 0.453 32.470 31.700 0.529 0.000 0.785 120 E N 1.940 122.256 120.200 0.193 0.000 2.055 120 E HA 0.202 4.553 4.350 0.001 0.000 0.274 120 E C -0.533 176.108 176.600 0.068 0.000 0.949 120 E CA -0.747 55.715 56.400 0.102 0.000 0.775 120 E CB 0.891 30.630 29.700 0.065 0.000 1.097 120 E HN 0.137 nan 8.360 nan 0.000 0.404 121 V N 6.008 125.969 119.914 0.078 0.000 2.229 121 V HA 0.013 4.134 4.120 0.001 0.000 0.245 121 V C 0.657 176.766 176.094 0.025 0.000 1.243 121 V CA -0.394 61.938 62.300 0.053 0.000 1.176 121 V CB -0.923 30.942 31.823 0.070 0.000 1.323 121 V HN 0.566 nan 8.190 nan 0.000 0.499 122 I N 3.827 124.402 120.570 0.008 0.000 2.779 122 I HA 0.471 4.642 4.170 0.001 0.000 0.285 122 I C -2.258 173.853 176.117 -0.011 0.000 1.134 122 I CA -2.199 59.102 61.300 0.001 0.000 1.398 122 I CB 0.027 38.025 38.000 -0.004 0.000 1.404 122 I HN 0.226 nan 8.210 nan 0.000 0.587 123 P HA 0.197 nan 4.420 nan 0.000 0.274 123 P C 0.961 178.234 177.300 -0.046 0.000 1.260 123 P CA 0.045 63.126 63.100 -0.031 0.000 0.793 123 P CB 0.383 32.067 31.700 -0.028 0.000 1.048 124 G N -0.341 108.412 108.800 -0.077 0.000 2.421 124 G HA2 -0.244 3.717 3.960 0.001 0.000 0.216 124 G HA3 -0.244 3.717 3.960 0.001 0.000 0.216 124 G C 1.410 176.265 174.900 -0.075 0.000 1.171 124 G CA 1.488 46.529 45.100 -0.098 0.000 0.775 124 G HN 0.609 nan 8.290 nan 0.000 0.543 125 T N -0.940 113.569 114.554 -0.075 0.000 2.803 125 T HA -0.116 4.235 4.350 0.001 0.000 0.269 125 T C 2.022 176.716 174.700 -0.010 0.000 1.052 125 T CA 1.844 63.922 62.100 -0.037 0.000 1.136 125 T CB -0.206 68.646 68.868 -0.027 0.000 0.864 125 T HN 0.494 nan 8.240 nan 0.000 0.467 126 E N 0.952 121.146 120.200 -0.010 0.000 2.158 126 E HA -0.120 4.231 4.350 0.001 0.000 0.191 126 E C 2.288 178.895 176.600 0.012 0.000 0.982 126 E CA 0.783 57.187 56.400 0.006 0.000 0.823 126 E CB -0.135 29.568 29.700 0.005 0.000 0.766 126 E HN 0.753 nan 8.360 nan 0.000 0.468 127 E N -0.117 120.082 120.200 -0.002 0.000 2.110 127 E HA -0.201 4.150 4.350 0.001 0.000 0.193 127 E C 1.822 178.439 176.600 0.027 0.000 0.988 127 E CA 0.982 57.383 56.400 0.001 0.000 0.804 127 E CB -0.062 29.628 29.700 -0.016 0.000 0.745 127 E HN 0.339 nan 8.360 nan 0.000 0.458 128 A N 1.289 124.129 122.820 0.033 0.000 1.854 128 A HA -0.186 4.135 4.320 0.001 0.000 0.214 128 A C 1.886 179.534 177.584 0.107 0.000 1.192 128 A CA 1.595 53.674 52.037 0.071 0.000 0.611 128 A CB -0.524 18.510 19.000 0.057 0.000 0.832 128 A HN 0.247 nan 8.150 nan 0.000 0.442 129 D N -0.305 120.139 120.400 0.073 0.000 2.116 129 D HA -0.162 4.479 4.640 0.001 0.000 0.193 129 D C 1.771 178.160 176.300 0.149 0.000 0.998 129 D CA 1.386 55.439 54.000 0.090 0.000 0.836 129 D CB -0.216 40.615 40.800 0.050 0.000 0.951 129 D HN 0.287 nan 8.370 nan 0.000 0.449 130 L N 0.274 121.560 121.223 0.104 0.000 2.179 130 L HA -0.011 4.330 4.340 0.001 0.000 0.208 130 L C 2.443 179.370 176.870 0.095 0.000 1.096 130 L CA 0.861 55.756 54.840 0.092 0.000 0.779 130 L CB -0.517 41.573 42.059 0.051 0.000 0.922 130 L HN -0.127 nan 8.230 nan 0.000 0.443 131 S N -1.264 114.494 115.700 0.098 0.000 2.383 131 S HA -0.231 4.240 4.470 0.001 0.000 0.229 131 S C 2.019 176.690 174.600 0.119 0.000 1.030 131 S CA 1.282 59.532 58.200 0.084 0.000 1.002 131 S CB -0.360 62.889 63.200 0.081 0.000 0.829 131 S HN 0.421 nan 8.310 nan 0.000 0.467 132 F N 1.633 121.605 119.950 0.037 0.000 2.084 132 F HA 0.003 4.531 4.527 0.002 0.000 0.296 132 F C 1.900 177.726 175.800 0.043 0.000 1.111 132 F CA 1.475 59.506 58.000 0.051 0.000 1.224 132 F CB -0.669 38.369 39.000 0.063 0.000 0.991 132 F HN 0.244 nan 8.300 nan 0.000 0.471 133 L N 0.528 121.852 121.223 0.167 0.000 2.042 133 L HA -0.071 4.270 4.340 0.001 0.000 0.210 133 L C 2.448 179.287 176.870 -0.052 0.000 1.076 133 L CA 2.307 57.180 54.840 0.055 0.000 0.749 133 L CB -1.407 40.717 42.059 0.109 0.000 0.893 133 L HN 0.241 nan 8.230 nan 0.000 0.432 134 G N -1.395 107.390 108.800 -0.025 0.000 2.418 134 G HA2 -0.210 3.751 3.960 0.001 0.000 0.217 134 G HA3 -0.210 3.751 3.960 0.001 0.000 0.217 134 G C 1.496 176.361 174.900 -0.058 0.000 1.158 134 G CA 0.621 45.697 45.100 -0.039 0.000 0.771 134 G HN 0.606 nan 8.290 nan 0.000 0.545 135 A N -0.831 121.934 122.820 -0.091 0.000 2.123 135 A HA 0.244 4.564 4.320 0.001 0.000 0.214 135 A C 2.155 179.613 177.584 -0.211 0.000 1.152 135 A CA 1.897 53.874 52.037 -0.100 0.000 0.728 135 A CB -0.180 18.767 19.000 -0.089 0.000 0.814 135 A HN 0.296 nan 8.150 nan 0.000 0.464 136 T N -0.382 113.964 114.554 -0.347 0.000 3.092 136 T HA 0.088 4.439 4.350 0.001 0.000 0.258 136 T C 1.004 175.549 174.700 -0.258 0.000 1.031 136 T CA 0.780 62.624 62.100 -0.426 0.000 0.925 136 T CB -0.501 67.917 68.868 -0.750 0.000 1.036 136 T HN 0.477 nan 8.240 nan 0.000 0.544 137 S N 0.938 116.535 115.700 -0.172 0.000 2.582 137 S HA 0.321 4.792 4.470 0.001 0.000 0.249 137 S C 1.003 175.538 174.600 -0.109 0.000 1.072 137 S CA -0.027 58.106 58.200 -0.113 0.000 1.115 137 S CB -0.009 63.140 63.200 -0.085 0.000 0.790 137 S HN 0.416 nan 8.310 nan 0.000 0.459 138 V N -2.968 116.880 119.914 -0.109 0.000 3.071 138 V HA 0.305 4.426 4.120 0.001 0.000 0.244 138 V C 0.598 176.648 176.094 -0.075 0.000 1.644 138 V CA 0.126 62.380 62.300 -0.078 0.000 1.090 138 V CB -0.883 30.924 31.823 -0.027 0.000 0.981 138 V HN 0.484 nan 8.190 nan 0.000 0.422 139 V N 1.403 121.241 119.914 -0.126 0.000 2.843 139 V HA 0.104 4.225 4.120 0.001 0.000 0.305 139 V C 0.309 176.343 176.094 -0.100 0.000 1.120 139 V CA 0.863 63.070 62.300 -0.156 0.000 1.254 139 V CB -0.289 31.329 31.823 -0.342 0.000 0.901 139 V HN 0.665 nan 8.190 nan 0.000 0.503 140 N N 3.310 121.971 118.700 -0.065 0.000 2.500 140 N HA 0.296 5.036 4.740 0.001 0.000 0.236 140 N C 0.785 176.297 175.510 0.004 0.000 1.022 140 N CA -0.731 52.304 53.050 -0.024 0.000 0.935 140 N CB 0.472 38.949 38.487 -0.015 0.000 1.147 140 N HN 0.678 nan 8.380 nan 0.000 0.512 141 R N 1.720 122.241 120.500 0.036 0.000 2.369 141 R HA -0.036 4.305 4.340 0.001 0.000 0.200 141 R C 0.398 176.740 176.300 0.070 0.000 1.046 141 R CA 0.329 56.488 56.100 0.099 0.000 1.057 141 R CB 0.121 30.496 30.300 0.125 0.000 0.888 141 R HN 0.583 nan 8.270 nan 0.000 0.474 142 D N 1.349 121.773 120.400 0.040 0.000 2.194 142 D HA -0.098 4.543 4.640 0.001 0.000 0.204 142 D C 0.326 176.643 176.300 0.028 0.000 0.964 142 D CA 1.306 55.323 54.000 0.028 0.000 0.846 142 D CB 0.222 41.031 40.800 0.015 0.000 0.962 142 D HN 0.474 nan 8.370 nan 0.000 0.490 143 D N -0.688 119.731 120.400 0.032 0.000 2.673 143 D HA 0.098 4.739 4.640 0.001 0.000 0.278 143 D C -0.259 176.071 176.300 0.050 0.000 1.393 143 D CA -0.259 53.758 54.000 0.029 0.000 0.805 143 D CB 0.285 41.091 40.800 0.010 0.000 1.110 143 D HN -0.117 nan 8.370 nan 0.000 0.476 144 L N 2.309 123.590 121.223 0.096 0.000 2.454 144 L HA 0.426 4.767 4.340 0.001 0.000 0.258 144 L C -2.583 174.459 176.870 0.285 0.000 1.025 144 L CA -1.515 53.435 54.840 0.184 0.000 0.901 144 L CB 1.409 43.559 42.059 0.150 0.000 1.210 144 L HN 0.004 nan 8.230 nan 0.000 0.457 145 P HA 0.214 nan 4.420 nan 0.000 0.271 145 P C -0.467 176.786 177.300 -0.078 0.000 1.216 145 P CA -0.193 62.931 63.100 0.039 0.000 0.771 145 P CB 1.794 33.492 31.700 -0.002 0.000 0.864 146 A N 5.558 128.179 122.820 -0.331 0.000 2.269 146 A HA 0.675 4.996 4.320 0.001 0.000 0.319 146 A C -2.378 175.021 177.584 -0.307 0.000 1.110 146 A CA -2.024 49.607 52.037 -0.677 0.000 0.847 146 A CB -0.591 17.914 19.000 -0.826 0.000 1.161 146 A HN 0.365 nan 8.150 nan 0.000 0.497 147 P HA 0.214 nan 4.420 nan 0.000 0.268 147 P C -1.326 175.885 177.300 -0.150 0.000 1.205 147 P CA 0.503 63.469 63.100 -0.223 0.000 0.771 147 P CB 0.097 31.758 31.700 -0.065 0.000 0.858 148 Y N 1.961 122.371 120.300 0.184 0.000 2.341 148 Y HA 0.304 4.855 4.550 0.001 0.000 0.340 148 Y C 0.481 176.557 175.900 0.294 0.000 0.997 148 Y CA -0.673 57.550 58.100 0.205 0.000 1.149 148 Y CB 0.583 39.143 38.460 0.165 0.000 1.171 148 Y HN 0.194 nan 8.280 nan 0.000 0.494 149 L N 5.669 127.115 121.223 0.372 0.000 2.276 149 L HA 0.517 4.858 4.340 0.001 0.000 0.286 149 L C -1.212 175.849 176.870 0.320 0.000 1.024 149 L CA -0.683 54.344 54.840 0.311 0.000 0.826 149 L CB 0.768 42.958 42.059 0.217 0.000 1.211 149 L HN 0.391 nan 8.230 nan 0.000 0.422 150 V N 6.312 126.440 119.914 0.357 0.000 2.364 150 V HA 0.317 4.438 4.120 0.001 0.000 0.272 150 V C 0.210 176.445 176.094 0.235 0.000 1.036 150 V CA -0.563 61.901 62.300 0.273 0.000 0.880 150 V CB 1.722 33.711 31.823 0.277 0.000 0.991 150 V HN 0.525 nan 8.190 nan 0.000 0.460 151 V N 4.015 124.051 119.914 0.204 0.000 2.394 151 V HA 0.413 4.534 4.120 0.001 0.000 0.282 151 V C -0.265 175.867 176.094 0.062 0.000 1.031 151 V CA -0.473 61.941 62.300 0.189 0.000 0.881 151 V CB 1.758 33.782 31.823 0.336 0.000 0.982 151 V HN 0.864 nan 8.190 nan 0.000 0.451 152 D N 4.737 125.170 120.400 0.055 0.000 2.461 152 D HA 0.287 4.928 4.640 0.001 0.000 0.240 152 D C -0.718 175.567 176.300 -0.025 0.000 1.094 152 D CA -0.250 53.743 54.000 -0.011 0.000 0.868 152 D CB 1.414 42.225 40.800 0.019 0.000 1.062 152 D HN 0.492 nan 8.370 nan 0.000 0.530 153 L N 4.072 125.234 121.223 -0.103 0.000 2.259 153 L HA 0.605 4.946 4.340 0.001 0.000 0.288 153 L C 0.614 177.430 176.870 -0.089 0.000 1.051 153 L CA -0.337 54.450 54.840 -0.088 0.000 0.824 153 L CB 0.636 42.595 42.059 -0.166 0.000 1.206 153 L HN 0.408 nan 8.230 nan 0.000 0.429 154 G N 1.878 110.650 108.800 -0.047 0.000 2.671 154 G HA2 0.390 4.350 3.960 0.001 0.000 0.275 154 G HA3 0.390 4.350 3.960 0.001 0.000 0.275 154 G C 0.728 175.608 174.900 -0.033 0.000 1.368 154 G CA 0.029 45.102 45.100 -0.044 0.000 1.044 154 G HN 0.635 nan 8.290 nan 0.000 0.543 155 G N -1.381 107.403 108.800 -0.026 0.000 2.453 155 G HA2 0.291 4.252 3.960 0.001 0.000 0.215 155 G HA3 0.291 4.252 3.960 0.001 0.000 0.215 155 G C 1.186 176.075 174.900 -0.017 0.000 1.147 155 G CA 1.405 46.494 45.100 -0.018 0.000 0.802 155 G HN 1.047 nan 8.290 nan 0.000 0.535 156 G N -1.169 107.620 108.800 -0.018 0.000 2.815 156 G HA2 0.432 4.392 3.960 0.001 0.000 0.215 156 G HA3 0.432 4.392 3.960 0.001 0.000 0.215 156 G C 0.114 175.005 174.900 -0.016 0.000 1.054 156 G CA 0.419 45.506 45.100 -0.021 0.000 0.832 156 G HN 0.296 nan 8.290 nan 0.000 0.557 157 S N -0.433 115.261 115.700 -0.011 0.000 2.546 157 S HA 0.685 5.155 4.470 0.001 0.000 0.274 157 S C -1.119 173.489 174.600 0.015 0.000 1.121 157 S CA -0.404 57.797 58.200 0.002 0.000 0.887 157 S CB 2.250 65.442 63.200 -0.014 0.000 1.094 157 S HN 0.026 nan 8.310 nan 0.000 0.474 158 T N 3.076 117.658 114.554 0.047 0.000 2.881 158 T HA 0.430 4.781 4.350 0.001 0.000 0.291 158 T C -1.155 173.609 174.700 0.107 0.000 0.990 158 T CA -0.887 61.256 62.100 0.072 0.000 0.976 158 T CB 1.004 69.930 68.868 0.096 0.000 0.970 158 T HN 0.594 nan 8.240 nan 0.000 0.438 159 E N 3.965 124.224 120.200 0.098 0.000 2.179 159 E HA 0.490 4.841 4.350 0.001 0.000 0.275 159 E C -0.915 175.788 176.600 0.171 0.000 0.945 159 E CA -0.932 55.543 56.400 0.125 0.000 0.792 159 E CB 2.011 31.758 29.700 0.079 0.000 1.125 159 E HN 0.487 nan 8.360 nan 0.000 0.397 160 L N 2.031 123.383 121.223 0.215 0.000 2.294 160 L HA 0.432 4.772 4.340 0.001 0.000 0.283 160 L C -0.735 176.248 176.870 0.187 0.000 1.015 160 L CA -1.140 53.834 54.840 0.224 0.000 0.831 160 L CB 1.505 43.723 42.059 0.265 0.000 1.217 160 L HN 0.269 nan 8.230 nan 0.000 0.420 161 V N 4.506 124.537 119.914 0.195 0.000 2.487 161 V HA 0.518 4.638 4.120 0.001 0.000 0.298 161 V C -0.273 175.895 176.094 0.122 0.000 1.028 161 V CA -0.536 61.839 62.300 0.125 0.000 0.860 161 V CB 2.609 34.550 31.823 0.196 0.000 0.991 161 V HN 0.607 nan 8.190 nan 0.000 0.427 162 I N 2.838 123.375 120.570 -0.055 0.000 2.509 162 I HA 0.840 5.011 4.170 0.001 0.000 0.293 162 I C 0.647 176.640 176.117 -0.207 0.000 1.020 162 I CA -0.115 61.178 61.300 -0.011 0.000 1.088 162 I CB 1.891 39.897 38.000 0.011 0.000 1.267 162 I HN 0.756 nan 8.210 nan 0.000 0.430 163 G N 4.085 112.854 108.800 -0.051 0.000 2.606 163 G HA2 0.626 4.587 3.960 0.001 0.000 0.262 163 G HA3 0.626 4.587 3.960 0.001 0.000 0.262 163 G C -0.171 174.716 174.900 -0.022 0.000 1.394 163 G CA -0.431 44.629 45.100 -0.067 0.000 1.044 163 G HN 0.783 nan 8.290 nan 0.000 0.553 164 G N -1.500 107.300 108.800 -0.001 0.000 2.502 164 G HA2 0.414 4.374 3.960 0.001 0.000 0.305 164 G HA3 0.414 4.374 3.960 0.001 0.000 0.305 164 G C 0.164 175.019 174.900 -0.075 0.000 1.190 164 G CA 0.303 45.383 45.100 -0.032 0.000 0.933 164 G HN 0.522 nan 8.290 nan 0.000 0.503 165 D N -2.344 118.008 120.400 -0.080 0.000 2.339 165 D HA 0.248 4.889 4.640 0.001 0.000 0.217 165 D C 1.613 177.858 176.300 -0.092 0.000 1.050 165 D CA 0.711 54.641 54.000 -0.116 0.000 0.856 165 D CB 0.239 40.982 40.800 -0.095 0.000 0.922 165 D HN 0.978 nan 8.370 nan 0.000 0.518 166 G N -0.716 108.052 108.800 -0.054 0.000 2.253 166 G HA2 -0.355 3.606 3.960 0.001 0.000 0.251 166 G HA3 -0.355 3.606 3.960 0.001 0.000 0.251 166 G C 0.979 175.867 174.900 -0.019 0.000 0.998 166 G CA 0.412 45.496 45.100 -0.026 0.000 0.621 166 G HN 0.330 nan 8.290 nan 0.000 0.524 167 V N 1.538 121.435 119.914 -0.027 0.000 2.398 167 V HA 0.078 4.199 4.120 0.001 0.000 0.236 167 V C 2.832 178.917 176.094 -0.016 0.000 1.054 167 V CA 2.636 64.924 62.300 -0.021 0.000 1.060 167 V CB -0.318 31.489 31.823 -0.026 0.000 0.707 167 V HN 0.905 nan 8.190 nan 0.000 0.480 168 S N 0.177 115.866 115.700 -0.020 0.000 2.489 168 S HA 0.448 4.919 4.470 0.001 0.000 0.228 168 S C 0.589 175.181 174.600 -0.013 0.000 0.995 168 S CA 0.547 58.738 58.200 -0.016 0.000 0.934 168 S CB -0.024 63.165 63.200 -0.018 0.000 0.771 168 S HN 0.918 nan 8.310 nan 0.000 0.522 169 A N 0.761 123.573 122.820 -0.013 0.000 2.594 169 A HA 0.689 5.010 4.320 0.001 0.000 0.296 169 A C -3.367 174.218 177.584 0.002 0.000 1.061 169 A CA -1.611 50.422 52.037 -0.007 0.000 0.689 169 A CB 0.414 19.406 19.000 -0.013 0.000 1.280 169 A HN 0.100 nan 8.150 nan 0.000 0.406 170 P HA 0.085 nan 4.420 nan 0.000 0.264 170 P C 1.250 178.588 177.300 0.063 0.000 1.183 170 P CA 0.781 63.905 63.100 0.040 0.000 0.763 170 P CB 0.586 32.316 31.700 0.050 0.000 0.807 171 T N -1.803 112.799 114.554 0.079 0.000 3.051 171 T HA -0.120 4.231 4.350 0.001 0.000 0.269 171 T C 1.148 176.028 174.700 0.300 0.000 1.127 171 T CA 1.623 63.795 62.100 0.120 0.000 1.107 171 T CB -1.054 67.877 68.868 0.105 0.000 0.898 171 T HN 0.488 nan 8.240 nan 0.000 0.517 172 T N -2.158 112.553 114.554 0.261 0.000 3.069 172 T HA 0.242 4.593 4.350 0.001 0.000 0.252 172 T C 0.510 175.402 174.700 0.319 0.000 1.053 172 T CA -0.519 61.797 62.100 0.360 0.000 0.964 172 T CB -0.007 68.992 68.868 0.218 0.000 1.005 172 T HN 0.484 nan 8.240 nan 0.000 0.532 173 Q N 1.912 121.806 119.800 0.157 0.000 2.296 173 Q HA 0.430 4.770 4.340 0.001 0.000 0.257 173 Q C -0.903 175.031 176.000 -0.111 0.000 0.942 173 Q CA -0.536 55.290 55.803 0.038 0.000 0.939 173 Q CB 1.231 29.981 28.738 0.020 0.000 1.198 173 Q HN 0.190 nan 8.270 nan 0.000 0.429 174 V N 5.519 125.299 119.914 -0.222 0.000 2.458 174 V HA -0.089 4.032 4.120 0.001 0.000 0.287 174 V C 0.943 176.911 176.094 -0.210 0.000 1.009 174 V CA 0.364 62.423 62.300 -0.403 0.000 1.091 174 V CB 0.954 32.575 31.823 -0.336 0.000 0.960 174 V HN 0.877 nan 8.190 nan 0.000 0.476 175 Q N 3.567 123.247 119.800 -0.200 0.000 2.297 175 Q HA 0.226 4.566 4.340 0.001 0.000 0.203 175 Q C 0.934 176.886 176.000 -0.081 0.000 0.931 175 Q CA 0.880 56.618 55.803 -0.107 0.000 0.885 175 Q CB 0.883 29.570 28.738 -0.086 0.000 0.991 175 Q HN 0.875 nan 8.270 nan 0.000 0.498 176 G N -0.318 108.427 108.800 -0.093 0.000 2.746 176 G HA2 0.640 4.601 3.960 0.001 0.000 0.297 176 G HA3 0.640 4.601 3.960 0.001 0.000 0.297 176 G C -1.769 173.120 174.900 -0.019 0.000 1.426 176 G CA 0.030 45.108 45.100 -0.037 0.000 0.989 176 G HN 0.153 nan 8.290 nan 0.000 0.520 177 A N 0.763 123.610 122.820 0.045 0.000 2.517 177 A HA 0.866 5.187 4.320 0.001 0.000 0.297 177 A C -1.991 175.711 177.584 0.198 0.000 1.050 177 A CA -0.611 51.478 52.037 0.087 0.000 0.694 177 A CB 1.654 20.669 19.000 0.025 0.000 1.277 177 A HN 1.559 nan 8.150 nan 0.000 0.400 178 F N 1.020 120.996 119.950 0.043 0.000 2.631 178 F HA 0.761 5.289 4.527 0.001 0.000 0.308 178 F C 0.010 175.849 175.800 0.065 0.000 1.097 178 F CA -0.009 58.024 58.000 0.054 0.000 0.952 178 F CB 2.185 41.229 39.000 0.074 0.000 1.307 178 F HN 0.709 nan 8.300 nan 0.000 0.450 182 I N -2.838 117.723 120.570 -0.015 0.000 2.841 182 I HA 0.972 5.142 4.170 0.001 0.000 0.298 182 I C -0.228 175.875 176.117 -0.024 0.000 1.304 182 I CA -0.825 60.422 61.300 -0.088 0.000 1.019 182 I CB 2.354 40.255 38.000 -0.165 0.000 1.282 182 I HN 0.073 nan 8.210 nan 0.000 0.432 183 G N 1.620 110.405 108.800 -0.024 0.000 2.495 183 G HA2 0.317 4.278 3.960 0.001 0.000 0.294 183 G HA3 0.317 4.278 3.960 0.001 0.000 0.294 183 G C -0.114 174.782 174.900 -0.008 0.000 1.397 183 G CA 0.096 45.189 45.100 -0.010 0.000 0.790 183 G HN 0.747 nan 8.290 nan 0.000 0.486 184 S N -1.485 114.208 115.700 -0.011 0.000 2.381 184 S HA -0.196 4.275 4.470 0.001 0.000 0.230 184 S C 2.299 176.898 174.600 -0.002 0.000 1.052 184 S CA 2.730 60.926 58.200 -0.007 0.000 1.068 184 S CB -0.275 62.913 63.200 -0.020 0.000 0.918 184 S HN 0.640 nan 8.310 nan 0.000 0.448 185 V N 1.428 121.338 119.914 -0.007 0.000 2.283 185 V HA 0.101 4.221 4.120 0.001 0.000 0.239 185 V C 1.819 177.905 176.094 -0.013 0.000 1.035 185 V CA 1.205 63.501 62.300 -0.006 0.000 1.018 185 V CB -0.727 31.092 31.823 -0.006 0.000 0.658 185 V HN 0.455 nan 8.190 nan 0.000 0.459 189 E N 1.479 121.666 120.200 -0.022 0.000 2.106 189 E HA 0.003 4.354 4.350 0.001 0.000 0.192 189 E C 2.161 178.710 176.600 -0.084 0.000 0.984 189 E CA 0.776 57.152 56.400 -0.040 0.000 0.806 189 E CB 0.125 29.803 29.700 -0.037 0.000 0.750 189 E HN 0.241 nan 8.360 nan 0.000 0.458 190 R N -0.430 119.975 120.500 -0.159 0.000 2.200 190 R HA -0.051 4.290 4.340 0.001 0.000 0.208 190 R C 1.306 177.304 176.300 -0.504 0.000 1.033 190 R CA 0.901 56.794 56.100 -0.345 0.000 1.000 190 R CB 0.307 30.325 30.300 -0.471 0.000 0.906 190 R HN 0.251 nan 8.270 nan 0.000 0.462 191 H N -0.988 118.078 119.070 -0.006 0.000 2.089 191 H HA 0.131 4.688 4.556 0.001 0.000 0.206 191 H C 0.517 175.844 175.328 -0.000 0.000 0.872 191 H CA -0.000 56.045 56.048 -0.004 0.000 0.979 191 H CB 0.075 29.832 29.762 -0.008 0.000 1.266 191 H HN -0.014 nan 8.280 nan 0.000 0.389 192 L N 4.079 125.383 121.223 0.134 0.000 2.697 192 L HA 0.049 4.389 4.340 0.001 0.000 0.239 192 L C 1.689 178.587 176.870 0.047 0.000 1.430 192 L CA 0.157 55.043 54.840 0.076 0.000 1.193 192 L CB -0.608 41.490 42.059 0.065 0.000 1.516 192 L HN 0.345 nan 8.230 nan 0.000 0.439 193 T N -2.801 111.777 114.554 0.041 0.000 2.701 193 T HA -0.109 4.242 4.350 0.001 0.000 0.263 193 T C 0.969 175.683 174.700 0.022 0.000 1.040 193 T CA 0.467 62.581 62.100 0.024 0.000 1.147 193 T CB -0.306 68.573 68.868 0.018 0.000 0.865 193 T HN 0.498 nan 8.240 nan 0.000 0.426 194 N N 2.105 120.819 118.700 0.024 0.000 2.371 194 N HA 0.288 5.029 4.740 0.001 0.000 0.243 194 N C -1.052 174.472 175.510 0.022 0.000 1.287 194 N CA -0.016 53.046 53.050 0.020 0.000 0.911 194 N CB 0.347 38.845 38.487 0.018 0.000 1.142 194 N HN 0.435 nan 8.380 nan 0.000 0.451 195 D N 0.732 121.144 120.400 0.020 0.000 2.421 195 D HA 0.274 4.914 4.640 0.001 0.000 0.254 195 D C -2.380 173.932 176.300 0.019 0.000 1.238 195 D CA -1.443 52.571 54.000 0.023 0.000 0.919 195 D CB 0.889 41.703 40.800 0.023 0.000 1.152 195 D HN 0.236 nan 8.370 nan 0.000 0.552 196 P HA 0.394 nan 4.420 nan 0.000 0.276 196 P C -2.647 174.666 177.300 0.021 0.000 1.252 196 P CA -1.379 61.735 63.100 0.023 0.000 0.802 196 P CB 0.411 32.122 31.700 0.019 0.000 1.035 197 P HA 0.028 nan 4.420 nan 0.000 0.272 197 P C 0.087 177.397 177.300 0.017 0.000 1.223 197 P CA 0.161 63.276 63.100 0.025 0.000 0.784 197 P CB 0.240 31.959 31.700 0.032 0.000 0.923 198 T N -1.515 113.048 114.554 0.015 0.000 2.874 198 T HA 0.109 4.459 4.350 0.001 0.000 0.281 198 T C 1.276 175.977 174.700 0.002 0.000 0.994 198 T CA -0.290 61.814 62.100 0.008 0.000 1.015 198 T CB 0.856 69.729 68.868 0.008 0.000 1.028 198 T HN 0.264 nan 8.240 nan 0.000 0.523 199 Q N 0.556 120.354 119.800 -0.003 0.000 2.226 199 Q HA -0.062 4.279 4.340 0.001 0.000 0.204 199 Q C 2.146 178.136 176.000 -0.017 0.000 0.975 199 Q CA 2.083 57.879 55.803 -0.011 0.000 0.866 199 Q CB -1.121 27.609 28.738 -0.012 0.000 0.915 199 Q HN 0.906 nan 8.270 nan 0.000 0.440 200 T N 0.110 114.657 114.554 -0.011 0.000 2.708 200 T HA -0.177 4.174 4.350 0.001 0.000 0.266 200 T C 1.590 176.277 174.700 -0.021 0.000 1.037 200 T CA 1.580 63.671 62.100 -0.014 0.000 1.146 200 T CB -0.152 68.714 68.868 -0.003 0.000 0.865 200 T HN 0.415 nan 8.240 nan 0.000 0.435 201 Q N 0.208 120.005 119.800 -0.005 0.000 2.046 201 Q HA 0.019 4.360 4.340 0.001 0.000 0.200 201 Q C 2.378 178.351 176.000 -0.046 0.000 0.975 201 Q CA 1.271 57.076 55.803 0.004 0.000 0.836 201 Q CB -0.356 28.407 28.738 0.042 0.000 0.896 201 Q HN 0.503 nan 8.270 nan 0.000 0.428 202 I N 1.091 121.642 120.570 -0.031 0.000 2.208 202 I HA -0.297 3.874 4.170 0.001 0.000 0.245 202 I C 1.550 177.616 176.117 -0.084 0.000 1.097 202 I CA 1.039 62.313 61.300 -0.044 0.000 1.363 202 I CB -0.295 37.693 38.000 -0.020 0.000 1.051 202 I HN 0.173 nan 8.210 nan 0.000 0.413 203 D N 0.764 121.118 120.400 -0.076 0.000 2.144 203 D HA -0.172 4.469 4.640 0.001 0.000 0.199 203 D C 2.083 178.302 176.300 -0.135 0.000 0.984 203 D CA 1.212 55.162 54.000 -0.084 0.000 0.834 203 D CB -0.173 40.592 40.800 -0.058 0.000 0.955 203 D HN 0.466 nan 8.370 nan 0.000 0.465 204 E N 0.283 120.369 120.200 -0.191 0.000 2.216 204 E HA -0.000 4.350 4.350 0.001 0.000 0.192 204 E C 1.999 178.197 176.600 -0.670 0.000 0.988 204 E CA 0.660 56.862 56.400 -0.329 0.000 0.834 204 E CB 0.117 29.661 29.700 -0.261 0.000 0.772 204 E HN 0.173 nan 8.360 nan 0.000 0.479 205 A N 0.772 123.236 122.820 -0.594 0.000 1.898 205 A HA -0.068 4.253 4.320 0.001 0.000 0.214 205 A C 2.427 179.891 177.584 -0.200 0.000 1.183 205 A CA 0.636 52.393 52.037 -0.467 0.000 0.622 205 A CB -0.431 18.482 19.000 -0.145 0.000 0.824 205 A HN 0.093 nan 8.150 nan 0.000 0.444 206 V N 0.105 119.933 119.914 -0.143 0.000 2.407 206 V HA -0.247 3.873 4.120 0.001 0.000 0.248 206 V C 3.001 179.048 176.094 -0.078 0.000 1.055 206 V CA 1.886 64.135 62.300 -0.084 0.000 1.049 206 V CB -1.099 30.683 31.823 -0.068 0.000 0.662 206 V HN 0.594 nan 8.190 nan 0.000 0.455 207 A N -0.328 122.432 122.820 -0.100 0.000 1.969 207 A HA -0.239 4.082 4.320 0.001 0.000 0.218 207 A C 2.073 179.641 177.584 -0.027 0.000 1.169 207 A CA 1.884 53.883 52.037 -0.064 0.000 0.635 207 A CB -0.509 18.450 19.000 -0.068 0.000 0.810 207 A HN 0.551 nan 8.150 nan 0.000 0.445 208 D N -0.226 120.149 120.400 -0.042 0.000 2.084 208 D HA -0.105 4.536 4.640 0.001 0.000 0.196 208 D C 1.997 178.330 176.300 0.055 0.000 0.985 208 D CA 1.574 55.604 54.000 0.049 0.000 0.826 208 D CB -0.239 40.612 40.800 0.085 0.000 0.978 208 D HN 0.124 nan 8.370 nan 0.000 0.456 209 V N 1.287 121.189 119.914 -0.019 0.000 2.252 209 V HA -0.241 3.880 4.120 0.001 0.000 0.249 209 V C 2.130 178.232 176.094 0.014 0.000 1.056 209 V CA 2.104 64.396 62.300 -0.013 0.000 1.022 209 V CB -0.540 31.270 31.823 -0.022 0.000 0.641 209 V HN 0.256 nan 8.190 nan 0.000 0.445 210 D N -0.763 119.625 120.400 -0.021 0.000 2.178 210 D HA -0.175 4.466 4.640 0.001 0.000 0.201 210 D C 2.237 178.509 176.300 -0.047 0.000 0.980 210 D CA 1.107 55.071 54.000 -0.061 0.000 0.842 210 D CB -0.035 40.727 40.800 -0.063 0.000 0.948 210 D HN 0.484 nan 8.370 nan 0.000 0.472 211 E N 0.669 120.885 120.200 0.027 0.000 2.028 211 E HA -0.175 4.176 4.350 0.001 0.000 0.191 211 E C 1.861 178.484 176.600 0.039 0.000 0.988 211 E CA 1.082 57.505 56.400 0.039 0.000 0.799 211 E CB -0.084 29.678 29.700 0.103 0.000 0.755 211 E HN 0.367 nan 8.360 nan 0.000 0.447 212 H N 0.474 119.529 119.070 -0.026 0.000 2.387 212 H HA -0.003 4.554 4.556 0.002 0.000 0.299 212 H C 2.155 177.449 175.328 -0.058 0.000 1.090 212 H CA 1.519 57.570 56.048 0.006 0.000 1.332 212 H CB -0.156 29.638 29.762 0.055 0.000 1.386 212 H HN 0.188 nan 8.280 nan 0.000 0.516 213 I N 0.151 120.706 120.570 -0.024 0.000 2.315 213 I HA -0.233 3.938 4.170 0.001 0.000 0.248 213 I C 1.723 177.595 176.117 -0.407 0.000 1.117 213 I CA 1.079 62.222 61.300 -0.261 0.000 1.404 213 I CB -0.117 37.638 38.000 -0.407 0.000 1.071 213 I HN 0.220 nan 8.210 nan 0.000 0.419 214 D N 0.746 120.982 120.400 -0.273 0.000 2.123 214 D HA -0.240 4.401 4.640 0.001 0.000 0.196 214 D C 2.011 178.216 176.300 -0.159 0.000 0.992 214 D CA 1.286 55.165 54.000 -0.202 0.000 0.833 214 D CB -0.188 40.541 40.800 -0.119 0.000 0.954 214 D HN 0.399 nan 8.370 nan 0.000 0.455 215 E N 0.268 120.356 120.200 -0.187 0.000 2.031 215 E HA -0.172 4.178 4.350 0.001 0.000 0.193 215 E C 2.033 178.315 176.600 -0.530 0.000 0.994 215 E CA 1.044 57.288 56.400 -0.261 0.000 0.800 215 E CB -0.008 29.566 29.700 -0.209 0.000 0.752 215 E HN 0.163 nan 8.360 nan 0.000 0.447 216 A N 0.754 123.199 122.820 -0.624 0.000 1.883 216 A HA -0.191 4.130 4.320 0.001 0.000 0.217 216 A C 1.892 179.338 177.584 -0.231 0.000 1.186 216 A CA 1.406 52.930 52.037 -0.855 0.000 0.624 216 A CB -0.937 17.975 19.000 -0.147 0.000 0.822 216 A HN 0.358 nan 8.150 nan 0.000 0.444 217 F N 0.124 119.914 119.950 -0.267 0.000 2.373 217 F HA -0.070 4.457 4.527 0.001 0.000 0.300 217 F C 2.378 178.085 175.800 -0.155 0.000 1.080 217 F CA 0.752 58.660 58.000 -0.154 0.000 1.417 217 F CB -0.499 38.446 39.000 -0.093 0.000 1.070 217 F HN 0.224 nan 8.300 nan 0.000 0.546 218 R N -0.759 119.719 120.500 -0.037 0.000 2.189 218 R HA -0.066 4.275 4.340 0.001 0.000 0.218 218 R C 2.052 178.309 176.300 -0.071 0.000 1.074 218 R CA 1.700 57.763 56.100 -0.061 0.000 0.991 218 R CB -0.308 29.939 30.300 -0.089 0.000 0.883 218 R HN 0.405 nan 8.270 nan 0.000 0.457 219 T N -3.733 110.754 114.554 -0.112 0.000 3.026 219 T HA 0.115 4.466 4.350 0.001 0.000 0.245 219 T C 0.628 175.316 174.700 -0.019 0.000 1.004 219 T CA -0.219 61.859 62.100 -0.037 0.000 1.069 219 T CB 0.170 69.063 68.868 0.041 0.000 1.005 219 T HN -0.048 nan 8.240 nan 0.000 0.472 220 V N 3.008 122.902 119.914 -0.033 0.000 2.383 220 V HA 0.454 4.574 4.120 0.001 0.000 0.275 220 V C -0.745 175.265 176.094 -0.141 0.000 1.036 220 V CA -0.703 61.577 62.300 -0.032 0.000 0.889 220 V CB 0.962 32.811 31.823 0.043 0.000 0.985 220 V HN 0.400 nan 8.190 nan 0.000 0.459 221 D N 5.806 126.124 120.400 -0.138 0.000 2.619 221 D HA 0.338 4.979 4.640 0.001 0.000 0.224 221 D C 1.165 177.324 176.300 -0.236 0.000 1.133 221 D CA 0.570 54.455 54.000 -0.193 0.000 1.017 221 D CB 0.895 41.627 40.800 -0.113 0.000 1.077 221 D HN 0.715 nan 8.370 nan 0.000 0.503 222 A N 1.748 124.319 122.820 -0.415 0.000 1.978 222 A HA -0.098 4.223 4.320 0.001 0.000 0.220 222 A C 2.214 179.656 177.584 -0.238 0.000 1.170 222 A CA 1.593 53.423 52.037 -0.345 0.000 0.636 222 A CB -0.747 17.914 19.000 -0.566 0.000 0.810 222 A HN 0.515 nan 8.150 nan 0.000 0.448 223 G N -0.136 108.484 108.800 -0.300 0.000 2.517 223 G HA2 -0.277 3.684 3.960 0.001 0.000 0.222 223 G HA3 -0.277 3.684 3.960 0.001 0.000 0.222 223 G C 1.470 176.331 174.900 -0.065 0.000 1.109 223 G CA 1.133 46.117 45.100 -0.193 0.000 0.746 223 G HN 0.478 nan 8.290 nan 0.000 0.576 224 K N 0.904 121.296 120.400 -0.013 0.000 2.365 224 K HA 0.154 4.474 4.320 0.001 0.000 0.199 224 K C 1.520 178.197 176.600 0.129 0.000 1.045 224 K CA 0.500 56.840 56.287 0.089 0.000 0.962 224 K CB -0.499 32.010 32.500 0.015 0.000 0.759 224 K HN 0.322 nan 8.250 nan 0.000 0.469 225 A N 1.595 124.476 122.820 0.102 0.000 2.565 225 A HA 0.018 4.339 4.320 0.001 0.000 0.237 225 A C 1.054 178.732 177.584 0.157 0.000 1.053 225 A CA 0.318 52.425 52.037 0.116 0.000 0.755 225 A CB 0.143 19.215 19.000 0.118 0.000 0.980 225 A HN 0.272 nan 8.150 nan 0.000 0.506 226 R N -0.295 120.251 120.500 0.076 0.000 2.344 226 R HA 0.141 4.482 4.340 0.001 0.000 0.209 226 R C -0.082 176.274 176.300 0.093 0.000 0.886 226 R CA 1.136 57.256 56.100 0.033 0.000 1.040 226 R CB 0.619 30.873 30.300 -0.076 0.000 1.114 226 R HN 0.919 nan 8.270 nan 0.000 0.547 227 T N -2.217 112.433 114.554 0.159 0.000 2.923 227 T HA 0.508 4.859 4.350 0.001 0.000 0.311 227 T C -0.503 174.355 174.700 0.265 0.000 1.183 227 T CA -0.778 61.453 62.100 0.218 0.000 1.020 227 T CB 1.875 70.904 68.868 0.268 0.000 1.165 227 T HN -0.085 nan 8.240 nan 0.000 0.482 228 I N 2.895 123.638 120.570 0.288 0.000 2.378 228 I HA 0.433 4.604 4.170 0.001 0.000 0.291 228 I C -0.500 175.825 176.117 0.348 0.000 0.992 228 I CA -1.247 60.243 61.300 0.316 0.000 1.154 228 I CB 1.538 39.734 38.000 0.326 0.000 1.315 228 I HN 0.499 nan 8.210 nan 0.000 0.448 229 I N 5.282 126.025 120.570 0.289 0.000 2.330 229 I HA 0.375 4.546 4.170 0.001 0.000 0.289 229 I C 0.628 176.876 176.117 0.218 0.000 1.001 229 I CA -0.177 61.261 61.300 0.230 0.000 1.193 229 I CB 1.215 39.275 38.000 0.100 0.000 1.345 229 I HN 0.599 nan 8.210 nan 0.000 0.461 230 G N 6.125 115.059 108.800 0.223 0.000 2.343 230 G HA2 0.630 4.591 3.960 0.001 0.000 0.319 230 G HA3 0.630 4.591 3.960 0.001 0.000 0.319 230 G C -0.385 174.438 174.900 -0.129 0.000 1.126 230 G CA -0.330 44.735 45.100 -0.058 0.000 0.889 230 G HN 0.492 nan 8.290 nan 0.000 0.457 231 V N -0.135 119.664 119.914 -0.191 0.000 3.155 231 V HA 0.947 5.068 4.120 0.001 0.000 0.313 231 V C 0.320 176.296 176.094 -0.197 0.000 1.162 231 V CA -0.279 61.931 62.300 -0.149 0.000 1.048 231 V CB 1.043 32.822 31.823 -0.073 0.000 1.092 231 V HN 1.930 nan 8.190 nan 0.000 0.447 232 S N -0.176 115.437 115.700 -0.144 0.000 4.064 232 S HA -0.005 4.466 4.470 0.001 0.000 0.651 232 S C 1.111 175.620 174.600 -0.151 0.000 1.268 232 S CA 0.786 58.905 58.200 -0.135 0.000 1.421 232 S CB -1.511 61.609 63.200 -0.134 0.000 0.335 232 S HN 2.696 nan 8.310 nan 0.000 1.550 233 G N 0.697 109.425 108.800 -0.120 0.000 2.459 233 G HA2 -0.141 3.820 3.960 0.001 0.000 0.217 233 G HA3 -0.141 3.820 3.960 0.001 0.000 0.217 233 G C 1.497 176.311 174.900 -0.143 0.000 1.183 233 G CA 2.001 47.037 45.100 -0.106 0.000 0.776 233 G HN 1.092 nan 8.290 nan 0.000 0.552 234 T N 0.929 115.381 114.554 -0.170 0.000 2.597 234 T HA -0.194 4.157 4.350 0.001 0.000 0.267 234 T C 2.525 177.027 174.700 -0.331 0.000 1.053 234 T CA 1.795 63.768 62.100 -0.212 0.000 1.165 234 T CB -0.561 68.179 68.868 -0.213 0.000 0.863 234 T HN 0.055 nan 8.240 nan 0.000 0.427 235 V N 0.949 120.553 119.914 -0.517 0.000 2.255 235 V HA -0.205 3.916 4.120 0.001 0.000 0.247 235 V C 2.816 178.733 176.094 -0.294 0.000 1.051 235 V CA 2.325 64.196 62.300 -0.715 0.000 1.018 235 V CB -1.139 30.133 31.823 -0.919 0.000 0.641 235 V HN 0.568 nan 8.190 nan 0.000 0.445 236 T N -0.909 113.527 114.554 -0.197 0.000 2.915 236 T HA -0.088 4.263 4.350 0.001 0.000 0.269 236 T C 1.036 175.688 174.700 -0.079 0.000 1.071 236 T CA 1.398 63.445 62.100 -0.089 0.000 1.132 236 T CB -0.334 68.487 68.868 -0.079 0.000 0.878 236 T HN 0.601 nan 8.240 nan 0.000 0.479 240 A N 1.573 124.358 122.820 -0.059 0.000 1.877 240 A HA 0.119 4.439 4.320 0.001 0.000 0.216 240 A C 2.123 179.650 177.584 -0.095 0.000 1.186 240 A CA 1.663 53.647 52.037 -0.089 0.000 0.620 240 A CB -1.024 17.927 19.000 -0.082 0.000 0.822 240 A HN 0.467 nan 8.150 nan 0.000 0.443 241 L N -0.430 120.706 121.223 -0.146 0.000 2.013 241 L HA -0.147 4.194 4.340 0.001 0.000 0.212 241 L C 2.102 178.955 176.870 -0.028 0.000 1.073 241 L CA 0.646 55.389 54.840 -0.162 0.000 0.753 241 L CB -1.010 40.767 42.059 -0.469 0.000 0.890 241 L HN 0.468 nan 8.230 nan 0.000 0.432 245 L N 0.411 121.634 121.223 0.001 0.000 2.334 245 L HA 0.538 4.879 4.340 0.001 0.000 0.277 245 L C 0.765 177.643 176.870 0.014 0.000 1.075 245 L CA -0.647 54.186 54.840 -0.012 0.000 0.804 245 L CB 1.512 43.546 42.059 -0.042 0.000 1.174 245 L HN -0.072 nan 8.230 nan 0.000 0.438 246 K N 1.776 122.176 120.400 0.001 0.000 2.506 246 K HA 0.160 4.481 4.320 0.001 0.000 0.204 246 K C -0.417 176.147 176.600 -0.060 0.000 1.045 246 K CA 0.056 56.342 56.287 -0.001 0.000 1.074 246 K CB 1.116 33.622 32.500 0.011 0.000 0.842 246 K HN 0.646 nan 8.250 nan 0.000 0.514 247 E N -0.794 119.349 120.200 -0.094 0.000 3.931 247 E HA 0.273 4.624 4.350 0.001 0.000 0.213 247 E C -0.834 175.578 176.600 -0.313 0.000 1.154 247 E CA -0.283 56.038 56.400 -0.131 0.000 0.808 247 E CB 0.503 30.212 29.700 0.017 0.000 2.975 247 E HN 0.011 nan 8.360 nan 0.000 0.546 248 Y N 0.260 120.580 120.300 0.033 0.000 2.274 248 Y HA 0.479 5.029 4.550 0.001 0.000 0.323 248 Y C -1.491 174.439 175.900 0.050 0.000 1.171 248 Y CA -0.884 57.237 58.100 0.034 0.000 1.163 248 Y CB 1.948 40.428 38.460 0.033 0.000 1.183 248 Y HN 0.248 nan 8.280 nan 0.000 0.424 249 D N 1.744 122.254 120.400 0.183 0.000 2.819 249 D HA 0.264 4.905 4.640 0.001 0.000 0.232 249 D C -0.097 176.288 176.300 0.141 0.000 1.160 249 D CA -0.232 53.852 54.000 0.139 0.000 0.858 249 D CB 1.432 42.248 40.800 0.027 0.000 1.610 249 D HN 0.783 nan 8.370 nan 0.000 0.481 250 H N 0.256 119.320 119.070 -0.010 0.000 3.067 250 H HA 0.031 4.588 4.556 0.001 0.000 0.241 250 H C 1.286 176.586 175.328 -0.047 0.000 0.961 250 H CA 0.696 56.721 56.048 -0.038 0.000 1.123 250 H CB -0.236 29.500 29.762 -0.043 0.000 1.448 250 H HN 0.350 nan 8.280 nan 0.000 0.457 251 T N 0.129 114.205 114.554 -0.796 0.000 2.962 251 T HA -0.004 4.347 4.350 0.001 0.000 0.270 251 T C 1.756 176.320 174.700 -0.227 0.000 1.088 251 T CA 1.273 63.065 62.100 -0.513 0.000 1.127 251 T CB -0.621 67.959 68.868 -0.481 0.000 0.883 251 T HN 0.159 nan 8.240 nan 0.000 0.493 252 V N 0.009 119.817 119.914 -0.175 0.000 3.565 252 V HA 0.238 4.359 4.120 0.001 0.000 0.260 252 V C 2.423 178.455 176.094 -0.104 0.000 1.231 252 V CA 0.314 62.545 62.300 -0.114 0.000 1.100 252 V CB 0.547 32.305 31.823 -0.108 0.000 0.807 252 V HN 0.383 nan 8.190 nan 0.000 0.454 253 V N -0.079 119.779 119.914 -0.094 0.000 2.725 253 V HA 0.055 4.176 4.120 0.001 0.000 0.247 253 V C 0.985 177.070 176.094 -0.015 0.000 1.058 253 V CA 0.987 63.249 62.300 -0.063 0.000 1.080 253 V CB 0.040 31.837 31.823 -0.045 0.000 0.713 253 V HN 0.622 nan 8.190 nan 0.000 0.465 254 D N 0.004 120.371 120.400 -0.054 0.000 2.425 254 D HA 0.232 4.873 4.640 0.001 0.000 0.247 254 D C 1.107 177.387 176.300 -0.033 0.000 1.147 254 D CA 1.082 55.035 54.000 -0.078 0.000 0.879 254 D CB 1.083 41.789 40.800 -0.156 0.000 1.179 254 D HN 0.538 nan 8.370 nan 0.000 0.456 255 G N 3.198 111.983 108.800 -0.025 0.000 2.184 255 G HA2 -0.275 3.686 3.960 0.001 0.000 0.264 255 G HA3 -0.275 3.686 3.960 0.001 0.000 0.264 255 G C 0.497 175.396 174.900 -0.000 0.000 0.975 255 G CA 0.567 45.658 45.100 -0.015 0.000 0.642 255 G HN 0.850 nan 8.290 nan 0.000 0.536 256 H N 0.730 119.757 119.070 -0.072 0.000 2.722 256 H HA 0.459 5.015 4.556 0.001 0.000 0.328 256 H C 0.570 175.810 175.328 -0.146 0.000 1.067 256 H CA -0.130 55.863 56.048 -0.092 0.000 1.447 256 H CB 0.600 30.310 29.762 -0.087 0.000 1.469 256 H HN 0.367 nan 8.280 nan 0.000 0.544 257 R N 6.015 126.095 120.500 -0.699 0.000 2.221 257 R HA 0.260 4.600 4.340 0.001 0.000 0.327 257 R C -1.150 174.744 176.300 -0.677 0.000 1.033 257 R CA -0.639 55.130 56.100 -0.553 0.000 0.887 257 R CB 0.374 30.471 30.300 -0.338 0.000 1.057 257 R HN 0.484 nan 8.270 nan 0.000 0.455 258 L N 4.814 125.631 121.223 -0.676 0.000 2.313 258 L HA 0.329 4.670 4.340 0.001 0.000 0.283 258 L C -0.254 176.443 176.870 -0.288 0.000 1.013 258 L CA -0.296 54.265 54.840 -0.464 0.000 0.816 258 L CB 1.845 43.579 42.059 -0.540 0.000 1.236 258 L HN 0.920 nan 8.230 nan 0.000 0.419 259 S N 3.178 118.832 115.700 -0.076 0.000 2.579 259 S HA 0.093 4.564 4.470 0.001 0.000 0.275 259 S C 1.113 175.805 174.600 0.154 0.000 1.345 259 S CA -0.298 57.936 58.200 0.057 0.000 1.031 259 S CB 0.628 63.859 63.200 0.052 0.000 0.892 259 S HN 0.469 nan 8.310 nan 0.000 0.529 260 F N 1.188 121.087 119.950 -0.085 0.000 2.161 260 F HA -0.049 4.478 4.527 0.001 0.000 0.300 260 F C 2.513 178.193 175.800 -0.200 0.000 1.089 260 F CA 1.706 59.544 58.000 -0.268 0.000 1.282 260 F CB -0.778 38.083 39.000 -0.230 0.000 1.010 260 F HN 0.921 nan 8.300 nan 0.000 0.485 261 E N 0.163 120.491 120.200 0.214 0.000 2.038 261 E HA -0.233 4.118 4.350 0.001 0.000 0.195 261 E C 1.765 178.464 176.600 0.166 0.000 1.000 261 E CA 1.815 58.351 56.400 0.226 0.000 0.803 261 E CB -0.082 29.717 29.700 0.165 0.000 0.750 261 E HN 0.269 nan 8.360 nan 0.000 0.448 262 D N 0.117 120.587 120.400 0.116 0.000 2.178 262 D HA -0.109 4.532 4.640 0.001 0.000 0.202 262 D C 1.794 178.167 176.300 0.121 0.000 0.974 262 D CA 1.162 55.229 54.000 0.112 0.000 0.841 262 D CB -0.299 40.559 40.800 0.096 0.000 0.953 262 D HN 0.313 nan 8.370 nan 0.000 0.478 263 A N 0.502 123.370 122.820 0.080 0.000 1.877 263 A HA -0.208 4.113 4.320 0.001 0.000 0.216 263 A C 2.019 179.627 177.584 0.040 0.000 1.186 263 A CA 1.084 53.164 52.037 0.071 0.000 0.620 263 A CB -1.033 17.939 19.000 -0.047 0.000 0.822 263 A HN 0.153 nan 8.150 nan 0.000 0.443 264 Y N 0.033 120.348 120.300 0.025 0.000 2.128 264 Y HA -0.131 4.419 4.550 0.001 0.000 0.284 264 Y C 2.988 178.917 175.900 0.049 0.000 1.154 264 Y CA 0.564 58.669 58.100 0.008 0.000 1.149 264 Y CB -1.081 37.388 38.460 0.015 0.000 0.976 264 Y HN 0.332 nan 8.280 nan 0.000 0.505 265 A N -0.551 122.408 122.820 0.232 0.000 1.858 265 A HA -0.168 4.153 4.320 0.001 0.000 0.216 265 A C 2.537 180.212 177.584 0.151 0.000 1.190 265 A CA 1.923 54.054 52.037 0.156 0.000 0.617 265 A CB -1.384 17.694 19.000 0.130 0.000 0.827 265 A HN 0.283 nan 8.150 nan 0.000 0.443 266 V N 0.539 120.561 119.914 0.180 0.000 2.407 266 V HA -0.252 3.869 4.120 0.001 0.000 0.248 266 V C 1.995 178.269 176.094 0.300 0.000 1.055 266 V CA 2.896 65.347 62.300 0.252 0.000 1.049 266 V CB -0.801 31.154 31.823 0.219 0.000 0.662 266 V HN 0.602 nan 8.190 nan 0.000 0.455 267 D N -0.251 120.284 120.400 0.225 0.000 2.117 267 D HA -0.178 4.463 4.640 0.001 0.000 0.197 267 D C 1.876 178.282 176.300 0.177 0.000 0.987 267 D CA 1.831 55.955 54.000 0.207 0.000 0.829 267 D CB -0.307 40.606 40.800 0.189 0.000 0.961 267 D HN 0.648 nan 8.370 nan 0.000 0.460 268 D N 0.114 120.598 120.400 0.140 0.000 2.117 268 D HA -0.132 4.509 4.640 0.001 0.000 0.198 268 D C 1.856 178.186 176.300 0.049 0.000 0.982 268 D CA 1.055 55.105 54.000 0.084 0.000 0.828 268 D CB 0.101 40.937 40.800 0.061 0.000 0.967 268 D HN 0.027 nan 8.370 nan 0.000 0.464 269 K N -0.844 119.573 120.400 0.029 0.000 2.044 269 K HA -0.190 4.131 4.320 0.001 0.000 0.210 269 K C 1.793 178.248 176.600 -0.243 0.000 1.049 269 K CA 1.403 57.615 56.287 -0.126 0.000 0.927 269 K CB -0.327 32.051 32.500 -0.202 0.000 0.713 269 K HN 0.188 nan 8.250 nan 0.000 0.443 270 F N 0.768 120.704 119.950 -0.023 0.000 2.512 270 F HA -0.043 4.484 4.527 0.001 0.000 0.296 270 F C 2.030 177.830 175.800 -0.001 0.000 1.110 270 F CA 0.305 58.286 58.000 -0.032 0.000 1.446 270 F CB -0.060 38.900 39.000 -0.067 0.000 1.092 270 F HN 0.101 nan 8.300 nan 0.000 0.554 271 L N 0.258 121.573 121.223 0.153 0.000 2.156 271 L HA -0.017 4.323 4.340 0.001 0.000 0.208 271 L C 1.390 178.294 176.870 0.058 0.000 1.095 271 L CA 1.356 56.256 54.840 0.101 0.000 0.770 271 L CB -0.425 41.685 42.059 0.085 0.000 0.914 271 L HN -0.040 nan 8.230 nan 0.000 0.439 275 R N 0.489 121.024 120.500 0.058 0.000 2.105 275 R HA -0.002 4.339 4.340 0.001 0.000 0.239 275 R C 2.669 179.009 176.300 0.067 0.000 1.135 275 R CA 1.841 57.980 56.100 0.065 0.000 0.967 275 R CB -0.715 29.612 30.300 0.045 0.000 0.861 275 R HN 0.783 nan 8.270 nan 0.000 0.442 276 A N 0.963 123.813 122.820 0.050 0.000 1.858 276 A HA -0.172 4.149 4.320 0.001 0.000 0.216 276 A C 1.986 179.604 177.584 0.057 0.000 1.190 276 A CA 1.188 53.250 52.037 0.042 0.000 0.617 276 A CB -0.356 18.660 19.000 0.026 0.000 0.827 276 A HN 0.170 nan 8.150 nan 0.000 0.443 277 E N -0.187 120.052 120.200 0.065 0.000 2.204 277 E HA -0.163 4.187 4.350 0.001 0.000 0.195 277 E C 2.231 178.945 176.600 0.190 0.000 0.990 277 E CA 0.772 57.223 56.400 0.085 0.000 0.821 277 E CB -0.177 29.565 29.700 0.069 0.000 0.750 277 E HN 0.578 nan 8.360 nan 0.000 0.477 278 R N -0.019 120.608 120.500 0.212 0.000 2.092 278 R HA -0.022 4.319 4.340 0.001 0.000 0.231 278 R C 2.258 178.727 176.300 0.281 0.000 1.119 278 R CA 0.921 57.217 56.100 0.326 0.000 0.970 278 R CB -0.141 30.299 30.300 0.233 0.000 0.864 278 R HN 0.044 nan 8.270 nan 0.000 0.440 279 R N 0.689 121.278 120.500 0.149 0.000 2.357 279 R HA -0.054 4.287 4.340 0.001 0.000 0.202 279 R C 1.201 177.536 176.300 0.058 0.000 1.047 279 R CA 0.467 56.622 56.100 0.092 0.000 1.034 279 R CB 0.041 30.371 30.300 0.050 0.000 0.875 279 R HN 0.211 nan 8.270 nan 0.000 0.473 280 E N 0.033 120.260 120.200 0.045 0.000 2.481 280 E HA -0.033 4.318 4.350 0.001 0.000 0.195 280 E C -0.487 175.964 176.600 -0.248 0.000 1.047 280 E CA 0.551 56.879 56.400 -0.120 0.000 0.867 280 E CB 0.241 29.815 29.700 -0.210 0.000 0.858 280 E HN 0.296 nan 8.360 nan 0.000 0.513 281 Y N 0.944 121.275 120.300 0.053 0.000 2.417 281 Y HA 0.157 4.708 4.550 0.001 0.000 0.336 281 Y C 1.389 177.259 175.900 -0.050 0.000 0.961 281 Y CA -0.463 57.657 58.100 0.034 0.000 1.215 281 Y CB 1.243 39.775 38.460 0.119 0.000 1.120 281 Y HN -0.209 nan 8.280 nan 0.000 0.499 282 K N 0.920 121.317 120.400 -0.006 0.000 2.152 282 K HA -0.170 4.150 4.320 0.001 0.000 0.206 282 K C 1.210 177.594 176.600 -0.361 0.000 1.048 282 K CA 1.983 58.185 56.287 -0.141 0.000 0.933 282 K CB 0.097 32.511 32.500 -0.143 0.000 0.721 282 K HN 0.728 nan 8.250 nan 0.000 0.447 283 T N 1.362 115.768 114.554 -0.246 0.000 2.849 283 T HA -0.069 4.282 4.350 0.001 0.000 0.270 283 T C 0.951 175.512 174.700 -0.231 0.000 1.066 283 T CA 0.874 62.785 62.100 -0.315 0.000 1.130 283 T CB -0.173 68.611 68.868 -0.141 0.000 0.864 283 T HN 0.160 nan 8.240 nan 0.000 0.481 284 I N 1.261 121.767 120.570 -0.107 0.000 2.474 284 I HA 0.189 4.360 4.170 0.001 0.000 0.287 284 I C 0.337 176.523 176.117 0.115 0.000 1.048 284 I CA -0.753 60.538 61.300 -0.014 0.000 1.383 284 I CB 0.612 38.604 38.000 -0.013 0.000 1.412 284 I HN 0.108 nan 8.210 nan 0.000 0.531 285 H N 8.180 127.304 119.070 0.090 0.000 2.646 285 H HA 0.206 4.763 4.556 0.001 0.000 0.325 285 H C -1.912 173.470 175.328 0.089 0.000 1.075 285 H CA -1.826 54.319 56.048 0.162 0.000 1.421 285 H CB 1.297 31.143 29.762 0.141 0.000 1.461 285 H HN 0.267 nan 8.280 nan 0.000 0.525 286 P HA -0.174 nan 4.420 nan 0.000 0.218 286 P C 1.109 178.297 177.300 -0.187 0.000 1.152 286 P CA 2.116 65.081 63.100 -0.226 0.000 0.857 286 P CB 0.131 31.678 31.700 -0.254 0.000 0.787 287 G N -1.622 107.017 108.800 -0.268 0.000 2.848 287 G HA2 -0.114 3.847 3.960 0.001 0.000 0.208 287 G HA3 -0.114 3.847 3.960 0.001 0.000 0.208 287 G C 1.429 176.337 174.900 0.014 0.000 1.152 287 G CA 0.062 45.121 45.100 -0.068 0.000 0.789 287 G HN 0.271 nan 8.290 nan 0.000 0.531 288 R N -0.686 119.829 120.500 0.025 0.000 2.369 288 R HA 0.265 4.605 4.340 0.001 0.000 0.210 288 R C 2.064 178.377 176.300 0.022 0.000 0.881 288 R CA -0.465 55.656 56.100 0.036 0.000 1.031 288 R CB 0.044 30.378 30.300 0.057 0.000 1.184 288 R HN 0.149 nan 8.270 nan 0.000 0.581 289 I N 2.127 122.709 120.570 0.020 0.000 2.121 289 I HA -0.356 3.815 4.170 0.001 0.000 0.243 289 I C 1.031 177.170 176.117 0.037 0.000 1.047 289 I CA 1.891 63.211 61.300 0.034 0.000 1.308 289 I CB -0.894 37.124 38.000 0.030 0.000 1.015 289 I HN 0.161 nan 8.210 nan 0.000 0.410 290 D N 0.006 120.421 120.400 0.025 0.000 2.371 290 D HA -0.046 4.595 4.640 0.001 0.000 0.221 290 D C 1.818 178.134 176.300 0.026 0.000 0.986 290 D CA 0.791 54.806 54.000 0.026 0.000 0.899 290 D CB 0.102 40.912 40.800 0.016 0.000 0.902 290 D HN 0.477 nan 8.370 nan 0.000 0.530 291 V N -3.188 116.740 119.914 0.023 0.000 3.432 291 V HA 0.185 4.305 4.120 0.001 0.000 0.298 291 V C 1.852 177.958 176.094 0.021 0.000 1.464 291 V CA -0.177 62.135 62.300 0.020 0.000 1.046 291 V CB 0.141 31.971 31.823 0.011 0.000 0.887 291 V HN -0.014 nan 8.190 nan 0.000 0.441 292 V N 2.786 122.714 119.914 0.023 0.000 2.380 292 V HA -0.152 3.969 4.120 0.001 0.000 0.251 292 V C 2.446 178.565 176.094 0.041 0.000 1.063 292 V CA 3.021 65.330 62.300 0.015 0.000 1.055 292 V CB -0.679 31.149 31.823 0.008 0.000 0.657 292 V HN 0.597 nan 8.190 nan 0.000 0.455 293 G N -0.772 108.065 108.800 0.063 0.000 2.402 293 G HA2 -0.132 3.829 3.960 0.001 0.000 0.216 293 G HA3 -0.132 3.829 3.960 0.001 0.000 0.216 293 G C 1.602 176.539 174.900 0.061 0.000 1.162 293 G CA 0.742 45.886 45.100 0.074 0.000 0.777 293 G HN 0.725 nan 8.290 nan 0.000 0.539 294 G N 0.670 109.499 108.800 0.048 0.000 2.450 294 G HA2 0.065 4.026 3.960 0.001 0.000 0.220 294 G HA3 0.065 4.026 3.960 0.001 0.000 0.220 294 G C 1.682 176.608 174.900 0.042 0.000 1.130 294 G CA 1.372 46.499 45.100 0.045 0.000 0.760 294 G HN 0.588 nan 8.290 nan 0.000 0.557 295 G N 0.893 109.713 108.800 0.033 0.000 2.396 295 G HA2 0.142 4.103 3.960 0.001 0.000 0.214 295 G HA3 0.142 4.103 3.960 0.001 0.000 0.214 295 G C 2.049 176.995 174.900 0.078 0.000 1.166 295 G CA 1.297 46.413 45.100 0.027 0.000 0.793 295 G HN 0.572 nan 8.290 nan 0.000 0.533 296 A N 0.416 123.288 122.820 0.086 0.000 1.917 296 A HA -0.020 4.301 4.320 0.001 0.000 0.219 296 A C 2.595 180.257 177.584 0.130 0.000 1.182 296 A CA 2.014 54.131 52.037 0.132 0.000 0.633 296 A CB -0.730 18.344 19.000 0.124 0.000 0.819 296 A HN 0.272 nan 8.150 nan 0.000 0.448 297 V N -0.468 119.500 119.914 0.089 0.000 2.343 297 V HA -0.228 3.893 4.120 0.001 0.000 0.247 297 V C 2.549 178.684 176.094 0.067 0.000 1.051 297 V CA 2.026 64.365 62.300 0.064 0.000 1.036 297 V CB -0.737 31.110 31.823 0.039 0.000 0.654 297 V HN 0.395 nan 8.190 nan 0.000 0.451 298 V N -1.220 118.745 119.914 0.085 0.000 2.379 298 V HA -0.243 3.877 4.120 0.001 0.000 0.245 298 V C 2.049 178.241 176.094 0.164 0.000 1.044 298 V CA 2.048 64.405 62.300 0.094 0.000 1.036 298 V CB -0.734 31.140 31.823 0.084 0.000 0.664 298 V HN 0.738 nan 8.190 nan 0.000 0.453 299 W N 0.724 121.980 121.300 -0.072 0.000 2.335 299 W HA -0.244 4.417 4.660 0.001 0.000 0.311 299 W C 2.602 179.037 176.519 -0.140 0.000 1.213 299 W CA 1.536 58.798 57.345 -0.137 0.000 1.274 299 W CB 0.024 29.380 29.460 -0.173 0.000 1.148 299 W HN 0.265 nan 8.180 nan 0.000 0.498 300 S N 0.452 116.122 115.700 -0.050 0.000 2.356 300 S HA -0.179 4.292 4.470 0.001 0.000 0.223 300 S C 1.683 176.259 174.600 -0.039 0.000 1.032 300 S CA 1.165 59.317 58.200 -0.081 0.000 1.005 300 S CB -0.327 62.946 63.200 0.122 0.000 0.867 300 S HN 0.192 nan 8.310 nan 0.000 0.449 301 R N 0.848 121.340 120.500 -0.013 0.000 2.096 301 R HA 0.051 4.392 4.340 0.001 0.000 0.235 301 R C 2.217 178.490 176.300 -0.044 0.000 1.127 301 R CA 0.679 56.768 56.100 -0.019 0.000 0.968 301 R CB -1.381 28.907 30.300 -0.020 0.000 0.861 301 R HN 0.339 nan 8.270 nan 0.000 0.440 302 V N 1.623 121.500 119.914 -0.061 0.000 2.270 302 V HA -0.198 3.923 4.120 0.001 0.000 0.245 302 V C 2.546 178.570 176.094 -0.116 0.000 1.043 302 V CA 1.469 63.745 62.300 -0.040 0.000 1.014 302 V CB -0.500 31.353 31.823 0.051 0.000 0.645 302 V HN 0.174 nan 8.190 nan 0.000 0.447 303 L N 0.062 121.035 121.223 -0.418 0.000 2.013 303 L HA -0.240 4.101 4.340 0.001 0.000 0.212 303 L C 2.738 179.610 176.870 0.004 0.000 1.073 303 L CA 1.828 56.338 54.840 -0.550 0.000 0.753 303 L CB -0.872 40.340 42.059 -1.412 0.000 0.890 303 L HN 0.394 nan 8.230 nan 0.000 0.432 304 A N -0.272 122.603 122.820 0.092 0.000 1.877 304 A HA -0.179 4.142 4.320 0.001 0.000 0.216 304 A C 2.376 180.080 177.584 0.200 0.000 1.186 304 A CA 1.314 53.514 52.037 0.271 0.000 0.620 304 A CB -0.389 18.715 19.000 0.173 0.000 0.822 304 A HN 0.254 nan 8.150 nan 0.000 0.443 305 R N -0.410 120.164 120.500 0.124 0.000 2.075 305 R HA -0.059 4.282 4.340 0.001 0.000 0.232 305 R C 2.073 178.583 176.300 0.351 0.000 1.126 305 R CA 1.407 57.595 56.100 0.147 0.000 0.963 305 R CB -1.316 28.938 30.300 -0.076 0.000 0.858 305 R HN 0.433 nan 8.270 nan 0.000 0.435 306 V N 0.618 120.742 119.914 0.351 0.000 2.515 306 V HA -0.165 3.956 4.120 0.001 0.000 0.250 306 V C 2.506 178.719 176.094 0.200 0.000 1.058 306 V CA 1.866 64.353 62.300 0.312 0.000 1.064 306 V CB -0.465 31.507 31.823 0.249 0.000 0.675 306 V HN 0.326 nan 8.190 nan 0.000 0.461 307 S N -0.479 115.361 115.700 0.233 0.000 2.371 307 S HA -0.184 4.287 4.470 0.001 0.000 0.224 307 S C 1.951 176.591 174.600 0.067 0.000 1.029 307 S CA 1.607 59.886 58.200 0.132 0.000 0.978 307 S CB -0.118 63.180 63.200 0.163 0.000 0.833 307 S HN 0.716 nan 8.310 nan 0.000 0.466 308 E N 0.821 121.087 120.200 0.109 0.000 2.047 308 E HA -0.065 4.285 4.350 0.001 0.000 0.191 308 E C 2.411 179.032 176.600 0.036 0.000 0.987 308 E CA 1.013 57.454 56.400 0.068 0.000 0.799 308 E CB -0.316 29.439 29.700 0.092 0.000 0.752 308 E HN 0.598 nan 8.360 nan 0.000 0.449 309 A N 1.604 124.472 122.820 0.080 0.000 1.883 309 A HA -0.175 4.146 4.320 0.001 0.000 0.217 309 A C 2.424 179.923 177.584 -0.143 0.000 1.186 309 A CA 1.870 53.899 52.037 -0.014 0.000 0.624 309 A CB -0.802 18.146 19.000 -0.086 0.000 0.822 309 A HN 0.303 nan 8.150 nan 0.000 0.444 310 A N -0.820 121.906 122.820 -0.157 0.000 1.978 310 A HA -0.164 4.157 4.320 0.001 0.000 0.220 310 A C 2.154 179.426 177.584 -0.520 0.000 1.170 310 A CA 1.979 53.788 52.037 -0.379 0.000 0.636 310 A CB -0.383 18.536 19.000 -0.135 0.000 0.810 310 A HN 0.359 nan 8.150 nan 0.000 0.448 311 K N 0.027 120.291 120.400 -0.227 0.000 2.026 311 K HA -0.035 4.285 4.320 0.001 0.000 0.208 311 K C 2.084 178.594 176.600 -0.150 0.000 1.048 311 K CA 1.485 57.680 56.287 -0.153 0.000 0.929 311 K CB -0.534 31.926 32.500 -0.067 0.000 0.713 311 K HN 0.389 nan 8.250 nan 0.000 0.439 312 A N 0.524 123.268 122.820 -0.127 0.000 2.119 312 A HA -0.135 4.186 4.320 0.001 0.000 0.217 312 A C 1.785 179.299 177.584 -0.117 0.000 1.153 312 A CA 1.772 53.755 52.037 -0.091 0.000 0.692 312 A CB -0.325 18.643 19.000 -0.054 0.000 0.799 312 A HN 0.487 nan 8.150 nan 0.000 0.458 313 D N -0.848 119.425 120.400 -0.211 0.000 2.214 313 D HA -0.089 4.551 4.640 0.001 0.000 0.217 313 D C 1.123 177.348 176.300 -0.124 0.000 0.973 313 D CA 1.326 55.211 54.000 -0.192 0.000 0.880 313 D CB 0.033 40.681 40.800 -0.253 0.000 1.031 313 D HN 0.655 nan 8.370 nan 0.000 0.468 314 H N -2.611 116.443 119.070 -0.026 0.000 2.575 314 H HA 0.509 5.066 4.556 0.001 0.000 0.256 314 H C 0.983 176.299 175.328 -0.021 0.000 1.162 314 H CA -0.189 55.845 56.048 -0.024 0.000 0.969 314 H CB 0.322 30.068 29.762 -0.027 0.000 1.796 314 H HN 0.174 nan 8.280 nan 0.000 0.607 315 G N 0.224 109.025 108.800 0.001 0.000 2.203 315 G HA2 -0.351 3.609 3.960 0.001 0.000 0.263 315 G HA3 -0.351 3.609 3.960 0.001 0.000 0.263 315 G C -0.065 174.866 174.900 0.052 0.000 1.012 315 G CA 0.688 45.800 45.100 0.019 0.000 0.749 315 G HN 0.736 nan 8.290 nan 0.000 0.512 316 E N -0.608 119.643 120.200 0.085 0.000 2.287 316 E HA 0.634 4.984 4.350 0.001 0.000 0.274 316 E C 0.355 176.985 176.600 0.050 0.000 0.896 316 E CA -0.225 56.230 56.400 0.092 0.000 0.788 316 E CB 1.084 30.873 29.700 0.149 0.000 1.244 316 E HN 0.741 nan 8.360 nan 0.000 0.408 317 A N 4.212 127.022 122.820 -0.017 0.000 2.280 317 A HA 0.572 4.893 4.320 0.001 0.000 0.268 317 A C -0.149 177.376 177.584 -0.098 0.000 1.111 317 A CA -0.274 51.725 52.037 -0.065 0.000 0.814 317 A CB 0.393 19.337 19.000 -0.094 0.000 1.093 317 A HN 0.633 nan 8.150 nan 0.000 0.498 318 I N -0.022 120.422 120.570 -0.210 0.000 2.389 318 I HA 0.281 4.451 4.170 0.001 0.000 0.288 318 I C -0.887 174.710 176.117 -0.868 0.000 0.999 318 I CA -0.373 60.749 61.300 -0.296 0.000 1.129 318 I CB 1.880 39.823 38.000 -0.095 0.000 1.288 318 I HN 0.776 nan 8.210 nan 0.000 0.444 319 D N 2.897 122.911 120.400 -0.643 0.000 2.623 319 D HA 0.211 4.852 4.640 0.001 0.000 0.252 319 D C -0.170 176.016 176.300 -0.191 0.000 1.294 319 D CA -0.331 53.205 54.000 -0.774 0.000 0.824 319 D CB 0.487 41.092 40.800 -0.324 0.000 1.070 319 D HN 0.425 nan 8.370 nan 0.000 0.487 320 S N -0.794 114.945 115.700 0.065 0.000 2.595 320 S HA 0.710 5.181 4.470 0.001 0.000 0.270 320 S C -1.248 173.602 174.600 0.418 0.000 1.145 320 S CA -1.310 57.059 58.200 0.282 0.000 0.825 320 S CB 1.080 64.307 63.200 0.045 0.000 1.107 320 S HN 0.414 nan 8.310 nan 0.000 0.461 321 F N -0.918 119.148 119.950 0.194 0.000 2.654 321 F HA 0.853 5.381 4.527 0.001 0.000 0.308 321 F C -1.942 173.939 175.800 0.134 0.000 1.108 321 F CA -1.233 56.881 58.000 0.190 0.000 0.957 321 F CB 0.988 40.133 39.000 0.241 0.000 1.309 321 F HN 0.501 nan 8.300 nan 0.000 0.446 322 V N 2.773 122.856 119.914 0.281 0.000 2.398 322 V HA 0.768 4.889 4.120 0.001 0.000 0.286 322 V C 0.340 176.617 176.094 0.306 0.000 1.026 322 V CA -0.503 61.858 62.300 0.101 0.000 0.868 322 V CB 0.919 32.778 31.823 0.059 0.000 0.982 322 V HN 1.150 nan 8.190 nan 0.000 0.443 323 A N 3.773 126.714 122.820 0.202 0.000 2.354 323 A HA 0.727 5.048 4.320 0.001 0.000 0.269 323 A C 0.197 177.826 177.584 0.074 0.000 1.109 323 A CA -0.153 52.037 52.037 0.255 0.000 0.800 323 A CB 0.963 20.104 19.000 0.235 0.000 1.045 323 A HN 0.809 nan 8.150 nan 0.000 0.489 324 S N 0.039 115.747 115.700 0.013 0.000 2.536 324 S HA 0.458 4.928 4.470 0.001 0.000 0.287 324 S C -0.032 174.479 174.600 -0.148 0.000 1.101 324 S CA -0.364 57.786 58.200 -0.083 0.000 0.950 324 S CB 1.642 64.807 63.200 -0.058 0.000 1.056 324 S HN 0.689 nan 8.310 nan 0.000 0.481 325 E N 1.870 121.886 120.200 -0.307 0.000 2.444 325 E HA 0.203 4.554 4.350 0.001 0.000 0.191 325 E C -0.732 175.687 176.600 -0.301 0.000 1.041 325 E CA 0.177 56.401 56.400 -0.294 0.000 0.883 325 E CB 0.061 29.596 29.700 -0.276 0.000 1.024 325 E HN 0.583 nan 8.360 nan 0.000 0.470 326 H N -1.302 117.745 119.070 -0.038 0.000 2.589 326 H HA 0.614 5.170 4.556 0.001 0.000 0.335 326 H C 0.351 175.643 175.328 -0.060 0.000 1.019 326 H CA -0.220 55.797 56.048 -0.051 0.000 1.213 326 H CB 1.491 31.218 29.762 -0.059 0.000 1.472 326 H HN 0.164 nan 8.280 nan 0.000 0.508 327 G N 1.238 110.075 108.800 0.060 0.000 3.495 327 G HA2 0.097 4.058 3.960 0.001 0.000 0.178 327 G HA3 0.097 4.058 3.960 0.001 0.000 0.178 327 G C 0.539 175.441 174.900 0.003 0.000 1.262 327 G CA -0.298 44.809 45.100 0.013 0.000 1.096 327 G HN 0.434 nan 8.290 nan 0.000 0.727 328 L N 0.341 121.559 121.223 -0.010 0.000 2.017 328 L HA 0.132 4.473 4.340 0.001 0.000 0.208 328 L C 2.607 179.456 176.870 -0.034 0.000 1.073 328 L CA 2.084 56.914 54.840 -0.018 0.000 0.745 328 L CB -0.698 41.342 42.059 -0.031 0.000 0.894 328 L HN 0.389 nan 8.230 nan 0.000 0.432 329 L N -0.133 121.062 121.223 -0.047 0.000 1.989 329 L HA -0.240 4.100 4.340 0.001 0.000 0.211 329 L C 1.922 178.763 176.870 -0.048 0.000 1.071 329 L CA 2.141 56.943 54.840 -0.064 0.000 0.749 329 L CB -1.138 40.878 42.059 -0.071 0.000 0.890 329 L HN 0.331 nan 8.230 nan 0.000 0.431 330 D N -0.503 119.879 120.400 -0.030 0.000 2.309 330 D HA -0.087 4.553 4.640 0.001 0.000 0.212 330 D C 2.040 178.320 176.300 -0.033 0.000 0.968 330 D CA 1.156 55.132 54.000 -0.041 0.000 0.882 330 D CB -0.382 40.384 40.800 -0.056 0.000 0.918 330 D HN 0.574 nan 8.370 nan 0.000 0.503 331 G N 0.159 108.948 108.800 -0.018 0.000 2.492 331 G HA2 -0.063 3.897 3.960 0.001 0.000 0.214 331 G HA3 -0.063 3.897 3.960 0.001 0.000 0.214 331 G C 1.504 176.411 174.900 0.011 0.000 1.147 331 G CA -0.135 44.966 45.100 0.001 0.000 0.809 331 G HN 0.133 nan 8.290 nan 0.000 0.533 332 I N 1.961 122.525 120.570 -0.011 0.000 2.179 332 I HA -0.136 4.035 4.170 0.001 0.000 0.242 332 I C 3.118 179.248 176.117 0.021 0.000 1.088 332 I CA 1.399 62.689 61.300 -0.016 0.000 1.357 332 I CB -1.185 36.769 38.000 -0.077 0.000 1.051 332 I HN 0.204 nan 8.210 nan 0.000 0.409 333 V N -1.027 118.892 119.914 0.009 0.000 2.488 333 V HA -0.102 4.019 4.120 0.001 0.000 0.246 333 V C 2.323 178.463 176.094 0.076 0.000 1.046 333 V CA 1.089 63.420 62.300 0.052 0.000 1.053 333 V CB -0.903 30.927 31.823 0.012 0.000 0.679 333 V HN 0.292 nan 8.190 nan 0.000 0.458 334 L N 0.687 121.933 121.223 0.038 0.000 2.275 334 L HA -0.094 4.247 4.340 0.001 0.000 0.215 334 L C 2.284 179.185 176.870 0.052 0.000 1.119 334 L CA 2.127 56.985 54.840 0.031 0.000 0.790 334 L CB -0.236 41.824 42.059 0.001 0.000 0.919 334 L HN 0.580 nan 8.230 nan 0.000 0.443 335 D N -1.561 118.884 120.400 0.075 0.000 2.202 335 D HA -0.245 4.396 4.640 0.001 0.000 0.214 335 D C 2.070 178.441 176.300 0.119 0.000 0.967 335 D CA 0.828 54.879 54.000 0.085 0.000 0.871 335 D CB -0.187 40.665 40.800 0.087 0.000 1.020 335 D HN 0.214 nan 8.370 nan 0.000 0.474 336 Y N 0.944 121.249 120.300 0.007 0.000 2.165 336 Y HA -0.044 4.507 4.550 0.001 0.000 0.286 336 Y C 2.192 178.098 175.900 0.010 0.000 1.155 336 Y CA 2.177 60.283 58.100 0.010 0.000 1.164 336 Y CB -0.701 37.765 38.460 0.009 0.000 0.978 336 Y HN 0.088 nan 8.280 nan 0.000 0.513 337 G N -0.142 108.724 108.800 0.109 0.000 2.511 337 G HA2 -0.284 3.677 3.960 0.001 0.000 0.216 337 G HA3 -0.284 3.677 3.960 0.001 0.000 0.216 337 G C 1.767 176.652 174.900 -0.025 0.000 1.218 337 G CA 1.105 46.221 45.100 0.027 0.000 0.788 337 G HN 0.358 nan 8.290 nan 0.000 0.560 338 R N -0.178 120.322 120.500 -0.001 0.000 2.096 338 R HA -0.066 4.275 4.340 0.001 0.000 0.240 338 R C 2.666 178.945 176.300 -0.034 0.000 1.139 338 R CA 1.381 57.476 56.100 -0.009 0.000 0.952 338 R CB -0.360 29.945 30.300 0.008 0.000 0.854 338 R HN 0.280 nan 8.270 nan 0.000 0.436 339 R N 1.028 121.501 120.500 -0.045 0.000 2.170 339 R HA -0.148 4.193 4.340 0.001 0.000 0.242 339 R C 1.982 178.217 176.300 -0.109 0.000 1.145 339 R CA 1.208 57.267 56.100 -0.067 0.000 0.984 339 R CB -0.200 30.060 30.300 -0.066 0.000 0.869 339 R HN 0.215 nan 8.270 nan 0.000 0.455 340 L N 0.669 121.800 121.223 -0.152 0.000 1.993 340 L HA -0.045 4.295 4.340 0.001 0.000 0.206 340 L C 1.515 178.335 176.870 -0.083 0.000 1.074 340 L CA 0.770 55.519 54.840 -0.151 0.000 0.746 340 L CB -0.657 41.296 42.059 -0.177 0.000 0.896 340 L HN 0.249 nan 8.230 nan 0.000 0.435 341 L N 0.000 121.186 121.223 -0.061 0.000 2.949 341 L HA 0.000 4.341 4.340 0.001 0.000 0.249 341 L CA 0.000 54.817 54.840 -0.038 0.000 0.813 341 L CB 0.000 42.043 42.059 -0.027 0.000 0.961 341 L HN 0.000 nan 8.230 nan 0.000 0.502