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 1g38_1_D DATA FIRST_RESID 21 DATA SEQUENCE VETPPEVVDF MVSLAEAPRG GRVLEPACAH GPFLRAFREA HGTGYRFVGV DATA SEQUENCE EIDPKALDLP PWAEGILADF LLWEPGEAFD LILGNPPYGI VGEASKYPIH DATA SEQUENCE VFKAVKDLYK KAFSTWKGKY NLYGAFLEKA VRLLKPGGVL VFVVPATWLV DATA SEQUENCE LEDFALLREF LAREGKTSVY YLGEVFPQKK VSAVVIRFQK SGKGLSLWDT DATA SEQUENCE QESESGFTPI LWAEYPHWEG EIIRFETEET RKLEISGMPL GDLFHIRFAA DATA SEQUENCE RSPEFKKHPA VRKEPGPGLV PVLTGRNLKP GWVDYEKNHS GLWMPKERAK DATA SEQUENCE ELRDFYATPH LVVAHTKGTR VVAAWDERAY PWREEFHLLP KEGVRLDPSS DATA SEQUENCE LVQWLNSEAM QKHVRTLYRD FVPHLTLRML ERLPVRREYG FHT 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 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 176.042 176.094 -0.087 0.000 1.182 21 V CA 0.000 62.223 62.300 -0.128 0.000 1.235 21 V CB 0.000 31.680 31.823 -0.238 0.000 1.184 22 E N 1.435 121.615 120.200 -0.033 0.000 2.299 22 E HA 0.732 5.083 4.350 0.001 0.000 0.260 22 E C -0.467 176.189 176.600 0.093 0.000 0.944 22 E CA -0.626 55.790 56.400 0.026 0.000 0.815 22 E CB 2.264 31.991 29.700 0.044 0.000 1.252 22 E HN 0.606 nan 8.360 nan 0.000 0.418 23 T N 2.302 116.920 114.554 0.106 0.000 2.794 23 T HA 0.453 4.803 4.350 0.001 0.000 0.280 23 T C -2.398 172.354 174.700 0.086 0.000 0.987 23 T CA -1.442 60.781 62.100 0.204 0.000 0.993 23 T CB 1.321 70.294 68.868 0.175 0.000 0.939 23 T HN 0.077 nan 8.240 nan 0.000 0.449 24 P HA 0.174 nan 4.420 nan 0.000 0.268 24 P C -1.935 175.362 177.300 -0.004 0.000 1.204 24 P CA -1.236 61.872 63.100 0.013 0.000 0.768 24 P CB 0.246 31.929 31.700 -0.028 0.000 0.842 25 P HA -0.244 nan 4.420 nan 0.000 0.216 25 P C 1.117 178.407 177.300 -0.016 0.000 1.154 25 P CA 1.581 64.656 63.100 -0.042 0.000 0.865 25 P CB 0.063 31.736 31.700 -0.045 0.000 0.789 26 E N -0.944 119.247 120.200 -0.014 0.000 2.118 26 E HA -0.126 4.224 4.350 0.001 0.000 0.195 26 E C 1.995 178.710 176.600 0.192 0.000 0.992 26 E CA 0.934 57.321 56.400 -0.022 0.000 0.804 26 E CB -1.280 28.311 29.700 -0.182 0.000 0.741 26 E HN 0.072 nan 8.360 nan 0.000 0.458 27 V N -0.001 120.066 119.914 0.255 0.000 2.453 27 V HA -0.186 3.935 4.120 0.001 0.000 0.247 27 V C 2.169 178.422 176.094 0.264 0.000 1.048 27 V CA 1.171 63.665 62.300 0.323 0.000 1.049 27 V CB -0.312 31.588 31.823 0.128 0.000 0.672 27 V HN 0.136 nan 8.190 nan 0.000 0.457 28 V N 0.341 120.320 119.914 0.108 0.000 2.427 28 V HA -0.256 3.864 4.120 0.001 0.000 0.248 28 V C 2.416 178.564 176.094 0.089 0.000 1.051 28 V CA 2.253 64.556 62.300 0.006 0.000 1.048 28 V CB -0.601 31.041 31.823 -0.301 0.000 0.666 28 V HN 0.654 nan 8.190 nan 0.000 0.456 29 D N -0.321 120.131 120.400 0.087 0.000 2.097 29 D HA -0.225 4.416 4.640 0.001 0.000 0.195 29 D C 2.092 178.489 176.300 0.161 0.000 0.989 29 D CA 1.460 55.510 54.000 0.084 0.000 0.827 29 D CB -0.032 40.796 40.800 0.048 0.000 0.966 29 D HN 0.393 nan 8.370 nan 0.000 0.456 30 F N 1.206 121.209 119.950 0.088 0.000 2.146 30 F HA -0.063 4.464 4.527 0.001 0.000 0.298 30 F C 2.451 178.267 175.800 0.027 0.000 1.096 30 F CA 1.209 59.259 58.000 0.083 0.000 1.275 30 F CB -0.550 38.581 39.000 0.218 0.000 1.008 30 F HN -0.101 nan 8.300 nan 0.000 0.480 31 M N -0.682 118.857 119.600 -0.102 0.000 2.117 31 M HA -0.188 4.292 4.480 0.001 0.000 0.262 31 M C 2.076 178.351 176.300 -0.042 0.000 1.065 31 M CA 1.492 56.686 55.300 -0.177 0.000 1.114 31 M CB -0.589 32.096 32.600 0.141 0.000 1.361 31 M HN 0.017 nan 8.290 nan 0.000 0.408 32 V N 0.321 120.302 119.914 0.111 0.000 2.343 32 V HA -0.254 3.866 4.120 0.001 0.000 0.247 32 V C 2.517 178.694 176.094 0.139 0.000 1.051 32 V CA 2.167 64.586 62.300 0.198 0.000 1.036 32 V CB -0.981 30.936 31.823 0.157 0.000 0.654 32 V HN 0.640 nan 8.190 nan 0.000 0.451 33 S N -0.401 115.311 115.700 0.019 0.000 2.442 33 S HA -0.077 4.393 4.470 0.001 0.000 0.236 33 S C 1.779 176.346 174.600 -0.055 0.000 1.007 33 S CA 1.351 59.555 58.200 0.006 0.000 0.965 33 S CB -0.436 62.769 63.200 0.009 0.000 0.773 33 S HN 0.562 nan 8.310 nan 0.000 0.504 34 L N 0.615 121.724 121.223 -0.190 0.000 2.416 34 L HA 0.385 4.726 4.340 0.001 0.000 0.216 34 L C 1.507 178.327 176.870 -0.085 0.000 1.098 34 L CA 0.176 54.867 54.840 -0.248 0.000 0.840 34 L CB -0.461 41.271 42.059 -0.545 0.000 0.981 34 L HN 0.362 nan 8.230 nan 0.000 0.462 35 A N 1.331 124.166 122.820 0.025 0.000 2.351 35 A HA 0.448 4.768 4.320 0.001 0.000 0.257 35 A C -0.045 177.612 177.584 0.122 0.000 1.087 35 A CA -0.071 52.027 52.037 0.101 0.000 0.798 35 A CB 0.302 19.433 19.000 0.218 0.000 1.033 35 A HN 0.382 nan 8.150 nan 0.000 0.488 36 E N -0.649 119.590 120.200 0.065 0.000 2.390 36 E HA 0.699 5.050 4.350 0.001 0.000 0.280 36 E C -1.087 175.529 176.600 0.026 0.000 0.992 36 E CA -0.790 55.616 56.400 0.010 0.000 0.790 36 E CB 1.646 31.339 29.700 -0.012 0.000 1.248 36 E HN 1.409 nan 8.360 nan 0.000 0.447 37 A N 1.691 124.562 122.820 0.085 0.000 2.594 37 A HA 0.680 5.000 4.320 0.001 0.000 0.296 37 A C -2.833 174.911 177.584 0.267 0.000 1.061 37 A CA -1.178 50.936 52.037 0.128 0.000 0.689 37 A CB 1.354 20.375 19.000 0.035 0.000 1.280 37 A HN 0.562 nan 8.150 nan 0.000 0.406 38 P HA 0.315 nan 4.420 nan 0.000 0.274 38 P C -0.629 176.740 177.300 0.115 0.000 1.237 38 P CA -0.321 62.855 63.100 0.127 0.000 0.793 38 P CB 0.505 32.241 31.700 0.060 0.000 0.977 39 R N 0.317 120.801 120.500 -0.027 0.000 2.585 39 R HA 0.245 4.586 4.340 0.001 0.000 0.275 39 R C 1.365 177.557 176.300 -0.179 0.000 1.018 39 R CA 0.927 56.895 56.100 -0.220 0.000 1.072 39 R CB -0.730 29.476 30.300 -0.156 0.000 0.953 39 R HN 0.896 nan 8.270 nan 0.000 0.419 40 G N 1.699 110.323 108.800 -0.294 0.000 2.168 40 G HA2 -0.279 3.681 3.960 0.001 0.000 0.263 40 G HA3 -0.279 3.681 3.960 0.001 0.000 0.263 40 G C 0.560 175.443 174.900 -0.029 0.000 0.977 40 G CA 0.078 45.097 45.100 -0.136 0.000 0.659 40 G HN 0.921 nan 8.290 nan 0.000 0.533 41 G N -0.647 108.192 108.800 0.066 0.000 2.594 41 G HA2 0.491 4.451 3.960 0.001 0.000 0.243 41 G HA3 0.491 4.451 3.960 0.001 0.000 0.243 41 G C 0.216 175.171 174.900 0.092 0.000 1.229 41 G CA -0.543 44.628 45.100 0.118 0.000 0.843 41 G HN 0.553 nan 8.290 nan 0.000 0.578 42 R N -0.160 120.370 120.500 0.049 0.000 2.221 42 R HA 0.390 4.730 4.340 0.001 0.000 0.327 42 R C -0.732 175.684 176.300 0.194 0.000 1.033 42 R CA -0.398 55.754 56.100 0.087 0.000 0.887 42 R CB 1.543 31.794 30.300 -0.081 0.000 1.057 42 R HN 0.221 nan 8.270 nan 0.000 0.455 43 V N 5.425 125.390 119.914 0.086 0.000 2.409 43 V HA 0.348 4.469 4.120 0.001 0.000 0.291 43 V C -0.743 175.400 176.094 0.082 0.000 1.020 43 V CA -0.839 61.423 62.300 -0.062 0.000 0.848 43 V CB 1.541 33.093 31.823 -0.452 0.000 0.990 43 V HN 0.490 nan 8.190 nan 0.000 0.430 44 L N 4.156 125.353 121.223 -0.043 0.000 2.346 44 L HA 0.667 5.007 4.340 0.001 0.000 0.276 44 L C -0.393 176.399 176.870 -0.131 0.000 1.006 44 L CA 0.018 54.754 54.840 -0.173 0.000 0.817 44 L CB 1.899 43.548 42.059 -0.683 0.000 1.272 44 L HN 0.758 nan 8.230 nan 0.000 0.421 45 E N 5.821 125.960 120.200 -0.103 0.000 2.186 45 E HA 0.473 4.824 4.350 0.001 0.000 0.255 45 E C -2.593 173.871 176.600 -0.227 0.000 0.881 45 E CA -2.136 54.192 56.400 -0.120 0.000 0.752 45 E CB 1.627 31.319 29.700 -0.012 0.000 1.176 45 E HN 0.443 nan 8.360 nan 0.000 0.421 46 P HA 0.130 nan 4.420 nan 0.000 0.277 46 P C -0.809 176.297 177.300 -0.323 0.000 1.240 46 P CA 0.105 62.868 63.100 -0.562 0.000 0.798 46 P CB 1.102 32.181 31.700 -1.035 0.000 0.979 47 A N 1.387 124.101 122.820 -0.176 0.000 2.596 47 A HA -0.269 4.052 4.320 0.001 0.000 0.300 47 A C 1.564 179.046 177.584 -0.170 0.000 1.495 47 A CA 1.112 53.067 52.037 -0.136 0.000 0.769 47 A CB -2.360 16.489 19.000 -0.253 0.000 1.047 47 A HN 0.815 nan 8.150 nan 0.000 0.436 48 C N -2.938 116.272 119.300 -0.150 0.000 2.450 48 C HA 0.381 4.841 4.460 0.001 0.000 0.279 48 C C 2.346 177.242 174.990 -0.157 0.000 1.335 48 C CA 0.786 59.723 59.018 -0.136 0.000 1.749 48 C CB -1.425 26.245 27.740 -0.116 0.000 1.963 48 C HN 2.662 nan 8.230 nan 0.000 0.501 49 A N 2.101 124.856 122.820 -0.107 0.000 5.218 49 A HA -0.392 3.929 4.320 0.001 0.000 0.318 49 A C 1.345 178.896 177.584 -0.055 0.000 1.887 49 A CA 2.500 54.502 52.037 -0.059 0.000 0.712 49 A CB -2.506 16.480 19.000 -0.023 0.000 1.343 49 A HN 1.469 nan 8.150 nan 0.000 0.377 50 H N 0.285 119.324 119.070 -0.052 0.000 2.547 50 H HA 0.464 5.020 4.556 0.001 0.000 0.266 50 H C 1.275 176.566 175.328 -0.061 0.000 0.988 50 H CA 1.044 57.054 56.048 -0.063 0.000 1.147 50 H CB -0.538 29.189 29.762 -0.060 0.000 1.365 50 H HN 2.414 nan 8.280 nan 0.000 0.589 51 G N 1.714 110.280 108.800 -0.389 0.000 2.368 51 G HA2 -0.224 3.736 3.960 0.001 0.000 0.290 51 G HA3 -0.224 3.736 3.960 0.001 0.000 0.290 51 G C -1.231 173.552 174.900 -0.194 0.000 1.098 51 G CA 0.071 45.040 45.100 -0.217 0.000 1.073 51 G HN 0.491 nan 8.290 nan 0.000 0.511 52 P HA -0.100 nan 4.420 nan 0.000 0.217 52 P C 1.606 178.812 177.300 -0.157 0.000 1.150 52 P CA 0.943 63.907 63.100 -0.227 0.000 0.832 52 P CB -0.011 31.495 31.700 -0.322 0.000 0.787 53 F N -0.109 119.831 119.950 -0.017 0.000 2.146 53 F HA -0.057 4.470 4.527 0.001 0.000 0.298 53 F C 2.667 178.559 175.800 0.154 0.000 1.096 53 F CA 1.057 59.095 58.000 0.063 0.000 1.275 53 F CB -1.301 37.717 39.000 0.030 0.000 1.008 53 F HN -0.264 nan 8.300 nan 0.000 0.480 54 L N -0.407 121.011 121.223 0.325 0.000 2.046 54 L HA -0.217 4.124 4.340 0.001 0.000 0.208 54 L C 2.540 179.598 176.870 0.313 0.000 1.077 54 L CA 1.431 56.496 54.840 0.375 0.000 0.747 54 L CB -0.639 41.623 42.059 0.340 0.000 0.896 54 L HN 0.056 nan 8.230 nan 0.000 0.432 55 R N -0.041 120.617 120.500 0.263 0.000 2.081 55 R HA -0.127 4.213 4.340 0.001 0.000 0.235 55 R C 2.420 178.785 176.300 0.109 0.000 1.131 55 R CA 1.374 57.615 56.100 0.235 0.000 0.960 55 R CB -0.489 29.921 30.300 0.182 0.000 0.856 55 R HN 0.355 nan 8.270 nan 0.000 0.436 56 A N 0.435 123.315 122.820 0.100 0.000 1.929 56 A HA -0.139 4.181 4.320 0.001 0.000 0.216 56 A C 1.923 179.557 177.584 0.084 0.000 1.176 56 A CA 0.808 52.875 52.037 0.050 0.000 0.628 56 A CB -0.488 18.516 19.000 0.007 0.000 0.816 56 A HN 0.335 nan 8.150 nan 0.000 0.444 57 F N 0.375 120.380 119.950 0.092 0.000 2.146 57 F HA -0.079 4.449 4.527 0.001 0.000 0.298 57 F C 2.343 178.217 175.800 0.123 0.000 1.096 57 F CA 1.856 59.950 58.000 0.157 0.000 1.275 57 F CB -0.171 38.986 39.000 0.263 0.000 1.008 57 F HN 0.177 nan 8.300 nan 0.000 0.480 58 R N 0.459 121.048 120.500 0.148 0.000 2.073 58 R HA -0.214 4.126 4.340 0.001 0.000 0.234 58 R C 2.398 178.609 176.300 -0.147 0.000 1.134 58 R CA 1.944 57.994 56.100 -0.083 0.000 0.952 58 R CB -0.582 29.291 30.300 -0.712 0.000 0.850 58 R HN 0.453 nan 8.270 nan 0.000 0.433 59 E N -0.567 119.546 120.200 -0.146 0.000 2.118 59 E HA -0.206 4.144 4.350 0.001 0.000 0.195 59 E C 1.512 178.010 176.600 -0.170 0.000 0.992 59 E CA 1.326 57.647 56.400 -0.132 0.000 0.804 59 E CB -0.024 29.624 29.700 -0.087 0.000 0.741 59 E HN 0.498 nan 8.360 nan 0.000 0.458 60 A N -0.246 122.415 122.820 -0.265 0.000 1.943 60 A HA -0.036 4.284 4.320 0.001 0.000 0.213 60 A C 1.565 178.812 177.584 -0.561 0.000 1.181 60 A CA 0.786 52.564 52.037 -0.432 0.000 0.653 60 A CB -0.124 18.533 19.000 -0.571 0.000 0.833 60 A HN 0.309 nan 8.150 nan 0.000 0.451 61 H N -1.050 117.818 119.070 -0.337 0.000 2.755 61 H HA 0.372 4.928 4.556 0.001 0.000 0.273 61 H C 1.082 176.432 175.328 0.038 0.000 1.055 61 H CA 0.619 56.510 56.048 -0.262 0.000 1.191 61 H CB 0.470 29.812 29.762 -0.700 0.000 1.536 61 H HN 0.640 nan 8.280 nan 0.000 0.529 62 G N 0.536 109.410 108.800 0.124 0.000 2.525 62 G HA2 -0.260 3.700 3.960 0.001 0.000 0.685 62 G HA3 -0.260 3.700 3.960 0.001 0.000 0.685 62 G C 0.837 175.907 174.900 0.283 0.000 1.290 62 G CA -0.027 45.171 45.100 0.163 0.000 0.915 62 G HN 0.216 nan 8.290 nan 0.000 0.548 63 T N -2.357 112.293 114.554 0.160 0.000 3.060 63 T HA 0.409 4.759 4.350 0.001 0.000 0.249 63 T C 1.748 176.570 174.700 0.202 0.000 1.079 63 T CA 1.399 63.612 62.100 0.188 0.000 1.013 63 T CB 0.523 69.402 68.868 0.017 0.000 0.975 63 T HN 1.940 nan 8.240 nan 0.000 0.518 64 G N 1.000 109.796 108.800 -0.007 0.000 3.284 64 G HA2 0.445 4.405 3.960 0.001 0.000 0.251 64 G HA3 0.445 4.405 3.960 0.001 0.000 0.251 64 G C -0.992 173.532 174.900 -0.625 0.000 0.913 64 G CA -0.286 44.648 45.100 -0.276 0.000 1.947 64 G HN 0.525 nan 8.290 nan 0.000 0.635 65 Y N -1.780 118.524 120.300 0.008 0.000 2.638 65 Y HA 0.486 5.037 4.550 0.001 0.000 0.335 65 Y C 0.019 175.753 175.900 -0.278 0.000 1.155 65 Y CA -1.419 56.546 58.100 -0.225 0.000 1.046 65 Y CB 1.673 39.822 38.460 -0.519 0.000 1.303 65 Y HN 0.079 nan 8.280 nan 0.000 0.460 66 R N 1.805 122.247 120.500 -0.097 0.000 2.229 66 R HA 0.548 4.889 4.340 0.001 0.000 0.332 66 R C -2.010 174.262 176.300 -0.047 0.000 0.989 66 R CA -0.367 55.751 56.100 0.030 0.000 0.842 66 R CB 0.306 30.654 30.300 0.080 0.000 1.119 66 R HN 0.556 nan 8.270 nan 0.000 0.456 67 F N 4.079 124.232 119.950 0.340 0.000 2.415 67 F HA 0.391 4.918 4.527 0.001 0.000 0.348 67 F C -0.112 175.860 175.800 0.286 0.000 1.119 67 F CA -0.640 57.568 58.000 0.346 0.000 1.069 67 F CB 1.873 41.189 39.000 0.528 0.000 1.124 67 F HN 0.071 nan 8.300 nan 0.000 0.472 68 V N 2.035 122.184 119.914 0.393 0.000 2.735 68 V HA 0.881 5.001 4.120 0.001 0.000 0.310 68 V C -0.059 176.110 176.094 0.124 0.000 1.061 68 V CA -0.874 61.593 62.300 0.279 0.000 0.913 68 V CB 1.970 34.038 31.823 0.408 0.000 1.005 68 V HN 0.885 nan 8.190 nan 0.000 0.428 69 G N 1.934 110.751 108.800 0.028 0.000 2.617 69 G HA2 0.661 4.621 3.960 0.001 0.000 0.306 69 G HA3 0.661 4.621 3.960 0.001 0.000 0.306 69 G C -1.607 173.187 174.900 -0.177 0.000 1.360 69 G CA -0.555 44.501 45.100 -0.073 0.000 0.983 69 G HN 0.563 nan 8.290 nan 0.000 0.496 70 V N 1.459 121.223 119.914 -0.250 0.000 2.444 70 V HA 0.617 4.737 4.120 0.001 0.000 0.294 70 V C -0.535 175.458 176.094 -0.169 0.000 1.022 70 V CA -0.681 61.430 62.300 -0.314 0.000 0.850 70 V CB 1.342 32.875 31.823 -0.484 0.000 0.992 70 V HN 0.870 nan 8.190 nan 0.000 0.426 71 E N 3.357 123.484 120.200 -0.120 0.000 2.293 71 E HA 0.496 4.846 4.350 0.001 0.000 0.270 71 E C -0.114 176.475 176.600 -0.018 0.000 0.879 71 E CA -0.562 55.806 56.400 -0.054 0.000 0.756 71 E CB 2.155 31.821 29.700 -0.056 0.000 1.208 71 E HN 0.502 nan 8.360 nan 0.000 0.428 72 I N 1.544 122.130 120.570 0.027 0.000 3.035 72 I HA 0.150 4.321 4.170 0.001 0.000 0.271 72 I C -0.058 176.082 176.117 0.038 0.000 1.190 72 I CA 0.288 61.618 61.300 0.051 0.000 1.472 72 I CB 0.512 38.575 38.000 0.104 0.000 1.116 72 I HN 0.473 nan 8.210 nan 0.000 0.443 73 D N 0.861 121.275 120.400 0.023 0.000 2.317 73 D HA 0.170 4.810 4.640 0.001 0.000 0.234 73 D C -1.793 174.511 176.300 0.008 0.000 1.112 73 D CA -2.504 51.506 54.000 0.017 0.000 0.840 73 D CB 1.739 42.545 40.800 0.011 0.000 1.078 73 D HN -0.020 nan 8.370 nan 0.000 0.486 74 P HA -0.129 nan 4.420 nan 0.000 0.217 74 P C 0.721 178.021 177.300 0.001 0.000 1.148 74 P CA 1.377 64.481 63.100 0.006 0.000 0.828 74 P CB 0.300 32.006 31.700 0.011 0.000 0.783 75 K N -1.047 119.355 120.400 0.003 0.000 2.365 75 K HA 0.066 4.387 4.320 0.001 0.000 0.199 75 K C 1.935 178.534 176.600 -0.002 0.000 1.045 75 K CA 1.107 57.394 56.287 -0.001 0.000 0.962 75 K CB -0.239 32.261 32.500 0.000 0.000 0.759 75 K HN 0.086 nan 8.250 nan 0.000 0.469 76 A N 0.783 123.602 122.820 -0.001 0.000 1.997 76 A HA 0.074 4.394 4.320 0.001 0.000 0.212 76 A C 0.678 178.263 177.584 0.002 0.000 1.178 76 A CA -0.164 51.874 52.037 0.002 0.000 0.698 76 A CB 0.048 19.045 19.000 -0.004 0.000 0.842 76 A HN 0.181 nan 8.150 nan 0.000 0.458 77 L N 1.412 122.628 121.223 -0.011 0.000 2.477 77 L HA 0.356 4.697 4.340 0.001 0.000 0.272 77 L C -0.979 175.878 176.870 -0.020 0.000 1.157 77 L CA 0.579 55.405 54.840 -0.023 0.000 0.889 77 L CB 0.124 42.165 42.059 -0.030 0.000 1.158 77 L HN 0.239 nan 8.230 nan 0.000 0.473 78 D N 4.475 124.862 120.400 -0.022 0.000 2.826 78 D HA 0.239 4.879 4.640 0.001 0.000 0.239 78 D C -1.240 175.028 176.300 -0.054 0.000 1.329 78 D CA -0.229 53.754 54.000 -0.028 0.000 0.854 78 D CB 0.035 40.832 40.800 -0.004 0.000 1.494 78 D HN 0.412 nan 8.370 nan 0.000 0.540 79 L N 1.475 122.631 121.223 -0.111 0.000 2.375 79 L HA 0.671 5.011 4.340 0.001 0.000 0.268 79 L C -1.678 175.003 176.870 -0.316 0.000 1.058 79 L CA -1.884 52.830 54.840 -0.209 0.000 0.803 79 L CB 0.781 42.711 42.059 -0.215 0.000 1.212 79 L HN 0.124 nan 8.230 nan 0.000 0.451 80 P HA 0.082 nan 4.420 nan 0.000 0.269 80 P C -1.990 174.901 177.300 -0.682 0.000 1.215 80 P CA -0.996 61.674 63.100 -0.717 0.000 0.780 80 P CB 0.080 30.988 31.700 -1.319 0.000 0.898 81 P HA -0.129 nan 4.420 nan 0.000 0.226 81 P C 0.678 177.936 177.300 -0.070 0.000 1.146 81 P CA 1.363 64.357 63.100 -0.175 0.000 0.773 81 P CB -0.171 31.499 31.700 -0.050 0.000 0.772 82 W N -0.630 120.702 121.300 0.053 0.000 3.256 82 W HA 0.606 5.267 4.660 0.001 0.000 0.269 82 W C -0.179 176.428 176.519 0.147 0.000 1.310 82 W CA -0.455 56.944 57.345 0.089 0.000 1.673 82 W CB -0.373 29.128 29.460 0.070 0.000 1.115 82 W HN -0.110 nan 8.180 nan 0.000 0.686 83 A N 1.355 124.205 122.820 0.051 0.000 2.380 83 A HA 0.440 4.760 4.320 0.001 0.000 0.315 83 A C -0.817 176.828 177.584 0.101 0.000 1.101 83 A CA -0.720 51.424 52.037 0.177 0.000 0.771 83 A CB 1.658 20.619 19.000 -0.064 0.000 1.287 83 A HN 0.183 nan 8.150 nan 0.000 0.436 84 E N 1.252 121.557 120.200 0.176 0.000 2.130 84 E HA 0.447 4.798 4.350 0.001 0.000 0.284 84 E C -0.003 176.643 176.600 0.076 0.000 1.018 84 E CA -0.331 56.148 56.400 0.131 0.000 0.817 84 E CB 0.860 30.672 29.700 0.187 0.000 1.078 84 E HN 0.756 nan 8.360 nan 0.000 0.396 85 G N 5.225 114.039 108.800 0.023 0.000 2.322 85 G HA2 0.486 4.446 3.960 0.001 0.000 0.309 85 G HA3 0.486 4.446 3.960 0.001 0.000 0.309 85 G C -0.428 174.458 174.900 -0.022 0.000 1.121 85 G CA -0.510 44.578 45.100 -0.020 0.000 0.886 85 G HN 0.537 nan 8.290 nan 0.000 0.447 86 I N 2.181 122.704 120.570 -0.079 0.000 2.406 86 I HA 0.271 4.441 4.170 0.001 0.000 0.290 86 I C -0.231 175.808 176.117 -0.130 0.000 0.999 86 I CA -0.662 60.575 61.300 -0.106 0.000 1.124 86 I CB 2.276 40.142 38.000 -0.222 0.000 1.289 86 I HN 0.132 nan 8.210 nan 0.000 0.441 87 L N 6.696 127.881 121.223 -0.063 0.000 2.268 87 L HA 0.736 5.076 4.340 0.001 0.000 0.289 87 L C 0.046 176.898 176.870 -0.029 0.000 1.064 87 L CA 0.071 54.888 54.840 -0.039 0.000 0.824 87 L CB 0.744 42.801 42.059 -0.003 0.000 1.202 87 L HN 0.847 nan 8.230 nan 0.000 0.433 88 A N 2.829 125.626 122.820 -0.038 0.000 2.522 88 A HA 0.273 4.594 4.320 0.001 0.000 0.291 88 A C -1.708 175.909 177.584 0.056 0.000 1.039 88 A CA -0.756 51.288 52.037 0.012 0.000 0.643 88 A CB 1.028 20.023 19.000 -0.008 0.000 1.310 88 A HN 0.488 nan 8.150 nan 0.000 0.436 89 D N 0.593 121.069 120.400 0.127 0.000 2.336 89 D HA 0.259 4.899 4.640 0.001 0.000 0.249 89 D C 0.858 177.274 176.300 0.193 0.000 1.213 89 D CA -0.247 53.865 54.000 0.188 0.000 0.870 89 D CB 0.290 41.228 40.800 0.230 0.000 1.076 89 D HN 0.449 nan 8.370 nan 0.000 0.483 90 F N 4.617 124.576 119.950 0.016 0.000 2.120 90 F HA -0.195 4.332 4.527 0.001 0.000 0.300 90 F C 1.674 177.475 175.800 0.003 0.000 1.095 90 F CA 1.364 59.347 58.000 -0.029 0.000 1.249 90 F CB -0.090 38.811 39.000 -0.164 0.000 0.995 90 F HN 0.461 nan 8.300 nan 0.000 0.480 91 L N -0.220 120.873 121.223 -0.216 0.000 2.265 91 L HA -0.168 4.173 4.340 0.001 0.000 0.215 91 L C 1.553 178.427 176.870 0.006 0.000 1.117 91 L CA 0.861 55.607 54.840 -0.156 0.000 0.782 91 L CB -0.523 41.439 42.059 -0.161 0.000 0.914 91 L HN 0.252 nan 8.230 nan 0.000 0.441 92 L N -2.420 118.843 121.223 0.067 0.000 2.959 92 L HA 0.151 4.491 4.340 0.001 0.000 0.259 92 L C 0.005 176.937 176.870 0.104 0.000 1.185 92 L CA -0.559 54.321 54.840 0.067 0.000 0.998 92 L CB 0.188 42.323 42.059 0.126 0.000 1.337 92 L HN 0.201 nan 8.230 nan 0.000 0.555 93 W N 2.539 123.766 121.300 -0.121 0.000 2.272 93 W HA 0.285 4.946 4.660 0.001 0.000 0.318 93 W C 0.036 176.511 176.519 -0.073 0.000 1.255 93 W CA -0.151 57.153 57.345 -0.069 0.000 1.200 93 W CB 0.854 30.294 29.460 -0.033 0.000 1.170 93 W HN -0.098 nan 8.180 nan 0.000 0.549 94 E N 7.550 127.477 120.200 -0.456 0.000 2.437 94 E HA 0.116 4.466 4.350 0.001 0.000 0.238 94 E C -1.430 174.747 176.600 -0.704 0.000 0.969 94 E CA -1.459 54.630 56.400 -0.517 0.000 0.759 94 E CB 1.100 30.656 29.700 -0.239 0.000 1.283 94 E HN 0.451 nan 8.360 nan 0.000 0.416 95 P HA -0.067 nan 4.420 nan 0.000 0.223 95 P C 0.897 178.021 177.300 -0.293 0.000 1.151 95 P CA 1.340 63.998 63.100 -0.737 0.000 0.787 95 P CB 0.787 31.950 31.700 -0.895 0.000 0.788 96 G N 0.578 109.222 108.800 -0.259 0.000 5.005 96 G HA2 -0.251 3.709 3.960 0.001 0.000 0.251 96 G HA3 -0.251 3.709 3.960 0.001 0.000 0.251 96 G C -0.130 174.680 174.900 -0.150 0.000 1.536 96 G CA 0.144 45.149 45.100 -0.158 0.000 1.060 96 G HN 0.601 nan 8.290 nan 0.000 0.683 97 E N 1.761 121.856 120.200 -0.175 0.000 2.227 97 E HA 0.626 4.977 4.350 0.001 0.000 0.282 97 E C 0.837 177.265 176.600 -0.286 0.000 1.015 97 E CA -0.011 56.269 56.400 -0.200 0.000 0.823 97 E CB 1.102 30.677 29.700 -0.209 0.000 1.081 97 E HN 0.933 nan 8.360 nan 0.000 0.396 98 A N 3.550 126.265 122.820 -0.174 0.000 2.325 98 A HA 0.343 4.663 4.320 0.001 0.000 0.260 98 A C -0.726 176.719 177.584 -0.232 0.000 1.133 98 A CA 0.038 52.036 52.037 -0.065 0.000 0.801 98 A CB 0.170 19.184 19.000 0.023 0.000 1.092 98 A HN 0.595 nan 8.150 nan 0.000 0.504 99 F N -1.648 118.324 119.950 0.036 0.000 2.575 99 F HA 0.349 4.876 4.527 0.001 0.000 0.330 99 F C 1.091 176.904 175.800 0.021 0.000 1.056 99 F CA -0.602 57.423 58.000 0.042 0.000 0.964 99 F CB 1.719 40.766 39.000 0.078 0.000 1.258 99 F HN 0.650 nan 8.300 nan 0.000 0.484 100 D N 0.332 120.842 120.400 0.183 0.000 2.216 100 D HA 0.071 4.712 4.640 0.001 0.000 0.208 100 D C -0.253 176.085 176.300 0.062 0.000 0.960 100 D CA 1.131 55.185 54.000 0.091 0.000 0.861 100 D CB 0.762 41.597 40.800 0.058 0.000 0.985 100 D HN 0.132 nan 8.370 nan 0.000 0.493 101 L N 0.749 122.004 121.223 0.052 0.000 2.455 101 L HA 0.444 4.785 4.340 0.001 0.000 0.264 101 L C -1.794 175.038 176.870 -0.063 0.000 0.968 101 L CA -0.499 54.304 54.840 -0.061 0.000 0.827 101 L CB 2.398 44.312 42.059 -0.242 0.000 1.317 101 L HN -0.209 nan 8.230 nan 0.000 0.407 102 I N 6.531 127.049 120.570 -0.087 0.000 2.468 102 I HA 0.512 4.683 4.170 0.001 0.000 0.285 102 I C -0.989 175.072 176.117 -0.094 0.000 1.039 102 I CA -0.592 60.648 61.300 -0.100 0.000 1.074 102 I CB 1.743 39.694 38.000 -0.083 0.000 1.228 102 I HN 0.627 nan 8.210 nan 0.000 0.436 103 L N 4.152 125.336 121.223 -0.065 0.000 2.393 103 L HA 1.143 5.483 4.340 0.001 0.000 0.260 103 L C -0.380 176.290 176.870 -0.333 0.000 1.002 103 L CA -0.307 54.475 54.840 -0.095 0.000 0.818 103 L CB 2.445 44.420 42.059 -0.140 0.000 1.369 103 L HN 0.693 nan 8.230 nan 0.000 0.412 104 G N 1.305 109.659 108.800 -0.744 0.000 2.345 104 G HA2 0.123 4.083 3.960 0.001 0.000 0.285 104 G HA3 0.123 4.083 3.960 0.001 0.000 0.285 104 G C -2.294 171.964 174.900 -1.070 0.000 1.297 104 G CA -0.586 43.688 45.100 -1.377 0.000 0.875 104 G HN 0.863 nan 8.290 nan 0.000 0.506 105 N N 1.570 119.847 118.700 -0.706 0.000 2.573 105 N HA 0.571 5.311 4.740 0.001 0.000 0.262 105 N C -2.447 172.692 175.510 -0.618 0.000 1.029 105 N CA -1.495 51.280 53.050 -0.459 0.000 0.882 105 N CB 2.403 40.853 38.487 -0.061 0.000 1.204 105 N HN 0.449 nan 8.380 nan 0.000 0.519 106 P HA 0.369 nan 4.420 nan 0.000 0.276 106 P C -2.819 174.034 177.300 -0.745 0.000 1.252 106 P CA -1.151 61.379 63.100 -0.951 0.000 0.802 106 P CB 0.325 31.431 31.700 -0.991 0.000 1.035 107 P HA 0.122 nan 4.420 nan 0.000 0.275 107 P C -0.985 176.187 177.300 -0.214 0.000 1.227 107 P CA 0.337 63.112 63.100 -0.542 0.000 0.781 107 P CB 0.191 31.643 31.700 -0.413 0.000 0.906 108 Y N 0.743 120.914 120.300 -0.216 0.000 2.457 108 Y HA 0.745 5.296 4.550 0.001 0.000 0.333 108 Y C 1.214 177.095 175.900 -0.033 0.000 1.119 108 Y CA -1.127 56.929 58.100 -0.073 0.000 1.143 108 Y CB 1.522 39.920 38.460 -0.103 0.000 1.230 108 Y HN 0.788 nan 8.280 nan 0.000 0.469 109 G N 1.173 110.093 108.800 0.201 0.000 2.318 109 G HA2 0.202 4.163 3.960 0.001 0.000 0.302 109 G HA3 0.202 4.163 3.960 0.001 0.000 0.302 109 G C -1.832 173.112 174.900 0.074 0.000 1.633 109 G CA -1.189 43.984 45.100 0.121 0.000 0.965 109 G HN 0.532 nan 8.290 nan 0.000 0.698 110 I N 1.126 121.743 120.570 0.078 0.000 2.371 110 I HA 0.298 4.469 4.170 0.001 0.000 0.290 110 I C 0.732 176.875 176.117 0.043 0.000 1.028 110 I CA -0.887 60.403 61.300 -0.016 0.000 1.345 110 I CB 1.619 39.539 38.000 -0.133 0.000 1.407 110 I HN 0.256 nan 8.210 nan 0.000 0.501 111 V N 6.371 126.337 119.914 0.087 0.000 2.470 111 V HA 0.636 4.757 4.120 0.001 0.000 0.276 111 V C 0.701 176.868 176.094 0.122 0.000 1.040 111 V CA 0.229 62.645 62.300 0.194 0.000 1.008 111 V CB 0.237 32.283 31.823 0.372 0.000 0.990 111 V HN 1.045 nan 8.190 nan 0.000 0.477 112 G N 3.688 112.622 108.800 0.223 0.000 2.342 112 G HA2 0.352 4.312 3.960 0.001 0.000 0.297 112 G HA3 0.352 4.312 3.960 0.001 0.000 0.297 112 G C -0.939 174.192 174.900 0.384 0.000 1.313 112 G CA -0.775 44.490 45.100 0.274 0.000 0.830 112 G HN 0.661 nan 8.290 nan 0.000 0.506 113 E N 0.218 120.622 120.200 0.341 0.000 2.465 113 E HA 0.338 4.688 4.350 0.001 0.000 0.260 113 E C 1.620 178.296 176.600 0.126 0.000 0.980 113 E CA 0.499 57.006 56.400 0.179 0.000 0.927 113 E CB 1.014 30.791 29.700 0.127 0.000 0.934 113 E HN 0.792 nan 8.360 nan 0.000 0.459 114 A N 3.786 126.545 122.820 -0.101 0.000 1.986 114 A HA -0.256 4.064 4.320 0.001 0.000 0.220 114 A C 2.148 179.687 177.584 -0.075 0.000 1.171 114 A CA 2.070 53.944 52.037 -0.271 0.000 0.640 114 A CB -0.796 17.786 19.000 -0.696 0.000 0.811 114 A HN 0.785 nan 8.150 nan 0.000 0.451 115 S N -1.301 114.358 115.700 -0.070 0.000 2.442 115 S HA -0.108 4.362 4.470 0.001 0.000 0.236 115 S C 1.600 176.142 174.600 -0.097 0.000 1.007 115 S CA 1.721 59.884 58.200 -0.062 0.000 0.965 115 S CB -0.046 63.126 63.200 -0.048 0.000 0.773 115 S HN 0.507 nan 8.310 nan 0.000 0.504 116 K N -0.761 119.539 120.400 -0.166 0.000 2.511 116 K HA 0.395 4.715 4.320 0.001 0.000 0.206 116 K C -0.740 175.505 176.600 -0.591 0.000 1.333 116 K CA -0.044 55.985 56.287 -0.430 0.000 0.957 116 K CB 0.542 32.643 32.500 -0.665 0.000 1.172 116 K HN 0.491 nan 8.250 nan 0.000 0.547 117 Y N -0.443 119.936 120.300 0.131 0.000 2.524 117 Y HA 0.325 4.875 4.550 0.001 0.000 0.344 117 Y C -1.903 174.141 175.900 0.240 0.000 1.012 117 Y CA -2.605 55.588 58.100 0.155 0.000 1.068 117 Y CB 1.851 40.398 38.460 0.146 0.000 1.249 117 Y HN -0.151 nan 8.280 nan 0.000 0.468 118 P HA -0.064 nan 4.420 nan 0.000 0.217 118 P C -0.238 176.826 177.300 -0.393 0.000 1.154 118 P CA 1.274 64.400 63.100 0.043 0.000 0.841 118 P CB 0.543 32.267 31.700 0.041 0.000 0.788 119 I N 0.908 121.391 120.570 -0.145 0.000 2.352 119 I HA 0.134 4.304 4.170 0.001 0.000 0.290 119 I C 0.134 176.218 176.117 -0.055 0.000 1.036 119 I CA -0.670 60.525 61.300 -0.174 0.000 1.336 119 I CB -0.822 37.213 38.000 0.058 0.000 1.407 119 I HN 0.120 nan 8.210 nan 0.000 0.497 120 H N 5.390 124.510 119.070 0.084 0.000 2.587 120 H HA 0.696 5.253 4.556 0.001 0.000 0.325 120 H C -0.162 175.156 175.328 -0.017 0.000 1.012 120 H CA -0.902 55.168 56.048 0.036 0.000 1.213 120 H CB 1.943 31.707 29.762 0.003 0.000 1.431 120 H HN 0.488 nan 8.280 nan 0.000 0.492 121 V N -0.292 119.667 119.914 0.075 0.000 3.206 121 V HA 0.508 4.629 4.120 0.001 0.000 0.305 121 V C -0.569 175.486 176.094 -0.064 0.000 1.257 121 V CA -1.381 60.895 62.300 -0.041 0.000 1.057 121 V CB 1.308 33.152 31.823 0.036 0.000 1.075 121 V HN 0.507 nan 8.190 nan 0.000 0.443 122 F N 1.081 121.037 119.950 0.010 0.000 2.553 122 F HA 0.295 4.823 4.527 0.001 0.000 0.356 122 F C 1.923 177.699 175.800 -0.041 0.000 1.142 122 F CA 0.711 58.704 58.000 -0.012 0.000 1.322 122 F CB 0.703 39.686 39.000 -0.029 0.000 1.126 122 F HN 0.830 nan 8.300 nan 0.000 0.599 123 K N 2.122 122.629 120.400 0.179 0.000 2.152 123 K HA -0.215 4.106 4.320 0.001 0.000 0.206 123 K C 1.985 178.582 176.600 -0.005 0.000 1.048 123 K CA 1.360 57.684 56.287 0.063 0.000 0.933 123 K CB -0.228 32.303 32.500 0.052 0.000 0.721 123 K HN 0.779 nan 8.250 nan 0.000 0.447 124 A N 0.595 123.421 122.820 0.011 0.000 1.972 124 A HA -0.101 4.219 4.320 0.001 0.000 0.219 124 A C 2.170 179.679 177.584 -0.125 0.000 1.169 124 A CA 1.575 53.572 52.037 -0.066 0.000 0.635 124 A CB -0.448 18.501 19.000 -0.085 0.000 0.810 124 A HN 0.184 nan 8.150 nan 0.000 0.446 125 V N -0.004 119.844 119.914 -0.111 0.000 2.323 125 V HA -0.228 3.892 4.120 0.001 0.000 0.244 125 V C 2.486 178.242 176.094 -0.563 0.000 1.041 125 V CA 2.231 64.349 62.300 -0.304 0.000 1.025 125 V CB -0.617 31.066 31.823 -0.233 0.000 0.656 125 V HN 0.657 nan 8.190 nan 0.000 0.451 126 K N -0.099 120.082 120.400 -0.365 0.000 2.103 126 K HA -0.242 4.078 4.320 0.001 0.000 0.207 126 K C 1.834 178.209 176.600 -0.374 0.000 1.048 126 K CA 1.838 57.926 56.287 -0.331 0.000 0.930 126 K CB -0.217 32.229 32.500 -0.089 0.000 0.716 126 K HN 0.463 nan 8.250 nan 0.000 0.444 127 D N 0.838 121.074 120.400 -0.274 0.000 2.144 127 D HA -0.164 4.476 4.640 0.001 0.000 0.199 127 D C 1.953 178.089 176.300 -0.274 0.000 0.984 127 D CA 0.951 54.801 54.000 -0.249 0.000 0.834 127 D CB -0.070 40.629 40.800 -0.168 0.000 0.955 127 D HN 0.258 nan 8.370 nan 0.000 0.465 128 L N 0.039 121.094 121.223 -0.279 0.000 2.093 128 L HA -0.199 4.141 4.340 0.001 0.000 0.208 128 L C 2.490 179.241 176.870 -0.199 0.000 1.085 128 L CA 0.826 55.526 54.840 -0.233 0.000 0.755 128 L CB -0.354 41.581 42.059 -0.207 0.000 0.904 128 L HN 0.056 nan 8.230 nan 0.000 0.435 129 Y N 0.593 120.706 120.300 -0.312 0.000 2.145 129 Y HA -0.220 4.330 4.550 0.001 0.000 0.286 129 Y C 2.568 178.154 175.900 -0.523 0.000 1.145 129 Y CA 0.758 58.657 58.100 -0.335 0.000 1.148 129 Y CB -0.786 37.528 38.460 -0.244 0.000 0.981 129 Y HN 0.109 nan 8.280 nan 0.000 0.507 130 K N 0.274 120.313 120.400 -0.602 0.000 2.063 130 K HA -0.225 4.095 4.320 0.001 0.000 0.208 130 K C 2.185 178.591 176.600 -0.323 0.000 1.048 130 K CA 1.674 57.587 56.287 -0.623 0.000 0.928 130 K CB -0.172 31.951 32.500 -0.628 0.000 0.713 130 K HN 0.194 nan 8.250 nan 0.000 0.442 131 K N 0.710 120.932 120.400 -0.296 0.000 2.097 131 K HA -0.095 4.226 4.320 0.001 0.000 0.205 131 K C 1.930 178.362 176.600 -0.281 0.000 1.050 131 K CA 1.236 57.380 56.287 -0.238 0.000 0.938 131 K CB -0.009 32.367 32.500 -0.206 0.000 0.718 131 K HN 0.121 nan 8.250 nan 0.000 0.442 132 A N 0.214 122.767 122.820 -0.445 0.000 2.072 132 A HA 0.123 4.443 4.320 0.001 0.000 0.216 132 A C 0.002 177.140 177.584 -0.743 0.000 1.156 132 A CA 0.294 51.926 52.037 -0.675 0.000 0.701 132 A CB 0.038 18.440 19.000 -0.996 0.000 0.816 132 A HN 0.196 nan 8.150 nan 0.000 0.458 133 F N 0.004 119.912 119.950 -0.071 0.000 2.427 133 F HA 0.327 4.854 4.527 0.001 0.000 0.348 133 F C 1.454 177.189 175.800 -0.108 0.000 1.125 133 F CA -0.838 57.118 58.000 -0.074 0.000 0.989 133 F CB 1.516 40.552 39.000 0.060 0.000 1.165 133 F HN 0.096 nan 8.300 nan 0.000 0.442 134 S N -0.579 115.119 115.700 -0.003 0.000 2.481 134 S HA -0.128 4.343 4.470 0.001 0.000 0.231 134 S C 1.584 176.121 174.600 -0.105 0.000 0.996 134 S CA 1.082 59.244 58.200 -0.062 0.000 0.942 134 S CB -0.749 62.413 63.200 -0.064 0.000 0.768 134 S HN 0.721 nan 8.310 nan 0.000 0.520 135 T N -3.507 110.944 114.554 -0.172 0.000 3.081 135 T HA 0.091 4.442 4.350 0.001 0.000 0.250 135 T C 0.419 174.791 174.700 -0.545 0.000 1.100 135 T CA -0.595 61.360 62.100 -0.242 0.000 1.038 135 T CB -0.513 68.232 68.868 -0.206 0.000 0.962 135 T HN 0.518 nan 8.240 nan 0.000 0.516 136 W N 3.257 124.114 121.300 -0.738 0.000 2.417 136 W HA 0.366 5.026 4.660 0.000 0.000 0.332 136 W C -0.130 175.946 176.519 -0.739 0.000 1.413 136 W CA 0.085 56.746 57.345 -1.139 0.000 1.299 136 W CB 0.096 29.289 29.460 -0.445 0.000 1.304 136 W HN 0.220 nan 8.180 nan 0.000 0.565 137 K N 4.728 124.648 120.400 -0.800 0.000 2.527 137 K HA 0.470 4.791 4.320 0.001 0.000 0.260 137 K C 0.500 176.967 176.600 -0.221 0.000 0.937 137 K CA 0.167 56.282 56.287 -0.287 0.000 0.826 137 K CB 1.183 33.546 32.500 -0.228 0.000 1.359 137 K HN 0.694 nan 8.250 nan 0.000 0.434 138 G N 3.035 111.784 108.800 -0.085 0.000 2.582 138 G HA2 -0.371 3.590 3.960 0.001 0.000 0.288 138 G HA3 -0.371 3.590 3.960 0.001 0.000 0.288 138 G C 0.423 175.294 174.900 -0.048 0.000 1.247 138 G CA 0.646 45.703 45.100 -0.071 0.000 0.972 138 G HN 0.702 nan 8.290 nan 0.000 0.557 139 K N -1.393 118.944 120.400 -0.105 0.000 2.155 139 K HA 0.245 4.565 4.320 0.001 0.000 0.203 139 K C 1.182 177.654 176.600 -0.213 0.000 1.052 139 K CA 1.002 57.219 56.287 -0.116 0.000 0.948 139 K CB -0.157 32.218 32.500 -0.208 0.000 0.728 139 K HN 0.644 nan 8.250 nan 0.000 0.448 140 Y N -0.268 119.675 120.300 -0.594 0.000 2.924 140 Y HA -0.402 4.148 4.550 0.001 0.000 0.464 140 Y C -0.288 175.209 175.900 -0.672 0.000 1.215 140 Y CA 0.698 58.248 58.100 -0.917 0.000 2.434 140 Y CB -0.570 36.924 38.460 -1.610 0.000 1.252 140 Y HN 0.295 nan 8.280 nan 0.000 0.636 141 N N -0.088 117.964 118.700 -1.081 0.000 2.636 141 N HA 0.265 5.006 4.740 0.001 0.000 0.261 141 N C 0.195 175.380 175.510 -0.541 0.000 1.195 141 N CA 0.035 52.702 53.050 -0.638 0.000 0.902 141 N CB 1.106 39.252 38.487 -0.568 0.000 1.627 141 N HN 0.669 nan 8.380 nan 0.000 0.491 142 L N 1.674 122.806 121.223 -0.151 0.000 2.079 142 L HA -0.213 4.128 4.340 0.001 0.000 0.210 142 L C 2.245 179.159 176.870 0.073 0.000 1.081 142 L CA 1.589 56.457 54.840 0.047 0.000 0.752 142 L CB -0.563 41.577 42.059 0.135 0.000 0.896 142 L HN 0.686 nan 8.230 nan 0.000 0.433 143 Y N -0.584 119.669 120.300 -0.078 0.000 2.293 143 Y HA -0.005 4.545 4.550 0.001 0.000 0.291 143 Y C 2.183 178.006 175.900 -0.128 0.000 1.137 143 Y CA 0.870 58.913 58.100 -0.096 0.000 1.202 143 Y CB -1.310 37.046 38.460 -0.174 0.000 0.990 143 Y HN -0.037 nan 8.280 nan 0.000 0.537 144 G N 0.586 108.984 108.800 -0.670 0.000 2.394 144 G HA2 -0.131 3.829 3.960 0.001 0.000 0.215 144 G HA3 -0.131 3.829 3.960 0.001 0.000 0.215 144 G C 1.838 176.608 174.900 -0.216 0.000 1.165 144 G CA 0.971 45.731 45.100 -0.567 0.000 0.784 144 G HN 0.654 nan 8.290 nan 0.000 0.535 145 A N 0.370 123.058 122.820 -0.220 0.000 1.902 145 A HA 0.113 4.434 4.320 0.001 0.000 0.217 145 A C 2.145 179.435 177.584 -0.491 0.000 1.181 145 A CA 1.235 52.975 52.037 -0.495 0.000 0.623 145 A CB -0.545 18.224 19.000 -0.386 0.000 0.818 145 A HN 0.274 nan 8.150 nan 0.000 0.443 146 F N -0.119 119.727 119.950 -0.174 0.000 2.171 146 F HA -0.077 4.450 4.527 0.001 0.000 0.300 146 F C 2.099 178.047 175.800 0.246 0.000 1.090 146 F CA 1.199 59.288 58.000 0.148 0.000 1.293 146 F CB -0.294 38.801 39.000 0.159 0.000 1.013 146 F HN 0.107 nan 8.300 nan 0.000 0.486 147 L N -0.451 120.934 121.223 0.270 0.000 2.027 147 L HA -0.219 4.122 4.340 0.001 0.000 0.206 147 L C 2.515 179.361 176.870 -0.041 0.000 1.074 147 L CA 1.652 56.546 54.840 0.090 0.000 0.745 147 L CB -0.581 41.443 42.059 -0.059 0.000 0.898 147 L HN 0.148 nan 8.230 nan 0.000 0.433 148 E N 0.304 120.424 120.200 -0.134 0.000 2.077 148 E HA -0.296 4.054 4.350 0.001 0.000 0.193 148 E C 2.137 178.715 176.600 -0.037 0.000 0.989 148 E CA 1.273 57.561 56.400 -0.187 0.000 0.800 148 E CB 0.162 29.626 29.700 -0.394 0.000 0.746 148 E HN 0.110 nan 8.360 nan 0.000 0.452 149 K N 0.871 121.221 120.400 -0.083 0.000 2.063 149 K HA -0.122 4.199 4.320 0.001 0.000 0.208 149 K C 1.780 178.444 176.600 0.107 0.000 1.048 149 K CA 1.616 57.920 56.287 0.029 0.000 0.928 149 K CB -0.619 31.759 32.500 -0.203 0.000 0.713 149 K HN 0.183 nan 8.250 nan 0.000 0.442 150 A N 0.092 123.044 122.820 0.220 0.000 1.883 150 A HA -0.137 4.183 4.320 0.001 0.000 0.217 150 A C 2.369 180.003 177.584 0.083 0.000 1.186 150 A CA 2.027 54.184 52.037 0.201 0.000 0.624 150 A CB -0.953 18.021 19.000 -0.044 0.000 0.822 150 A HN 0.128 nan 8.150 nan 0.000 0.444 151 V N 0.086 120.017 119.914 0.027 0.000 2.287 151 V HA -0.307 3.814 4.120 0.001 0.000 0.248 151 V C 2.615 178.798 176.094 0.147 0.000 1.053 151 V CA 2.398 64.721 62.300 0.039 0.000 1.027 151 V CB -0.839 30.993 31.823 0.015 0.000 0.646 151 V HN 0.545 nan 8.190 nan 0.000 0.447 152 R N -0.495 120.116 120.500 0.186 0.000 2.189 152 R HA 0.007 4.347 4.340 0.001 0.000 0.223 152 R C 1.911 178.279 176.300 0.114 0.000 1.092 152 R CA 0.922 57.119 56.100 0.160 0.000 0.989 152 R CB -0.213 30.174 30.300 0.146 0.000 0.876 152 R HN 0.442 nan 8.270 nan 0.000 0.457 153 L N 0.790 122.092 121.223 0.131 0.000 2.592 153 L HA 0.156 4.496 4.340 0.001 0.000 0.227 153 L C 0.346 177.355 176.870 0.233 0.000 1.127 153 L CA -0.064 54.879 54.840 0.172 0.000 0.884 153 L CB 0.082 42.271 42.059 0.218 0.000 1.065 153 L HN 0.081 nan 8.230 nan 0.000 0.457 154 L N 0.565 121.896 121.223 0.180 0.000 2.334 154 L HA 0.240 4.580 4.340 0.001 0.000 0.277 154 L C 0.435 177.381 176.870 0.126 0.000 1.075 154 L CA -0.288 54.657 54.840 0.176 0.000 0.804 154 L CB 1.208 43.370 42.059 0.171 0.000 1.174 154 L HN 0.047 nan 8.230 nan 0.000 0.438 155 K N 2.957 123.418 120.400 0.102 0.000 2.180 155 K HA 0.242 4.563 4.320 0.001 0.000 0.251 155 K C -2.305 174.325 176.600 0.049 0.000 1.014 155 K CA -1.535 54.784 56.287 0.052 0.000 0.913 155 K CB 0.199 32.714 32.500 0.026 0.000 1.008 155 K HN 0.264 nan 8.250 nan 0.000 0.490 156 P HA -0.044 nan 4.420 nan 0.000 0.264 156 P C 0.323 177.628 177.300 0.008 0.000 1.193 156 P CA 0.910 64.021 63.100 0.019 0.000 0.763 156 P CB 0.532 32.237 31.700 0.009 0.000 0.810 157 G N 2.112 110.908 108.800 -0.008 0.000 2.179 157 G HA2 -0.181 3.780 3.960 0.001 0.000 0.260 157 G HA3 -0.181 3.780 3.960 0.001 0.000 0.260 157 G C 0.663 175.556 174.900 -0.012 0.000 0.977 157 G CA -0.166 44.920 45.100 -0.022 0.000 0.641 157 G HN 0.875 nan 8.290 nan 0.000 0.533 158 G N -1.080 107.730 108.800 0.017 0.000 2.606 158 G HA2 0.586 4.546 3.960 0.001 0.000 0.252 158 G HA3 0.586 4.546 3.960 0.001 0.000 0.252 158 G C -0.193 174.723 174.900 0.027 0.000 1.206 158 G CA 0.359 45.482 45.100 0.038 0.000 0.861 158 G HN 1.025 nan 8.290 nan 0.000 0.561 159 V N 1.011 120.940 119.914 0.025 0.000 2.680 159 V HA 0.570 4.690 4.120 0.001 0.000 0.309 159 V C -0.163 175.936 176.094 0.008 0.000 1.052 159 V CA -0.744 61.564 62.300 0.014 0.000 0.908 159 V CB 1.705 33.519 31.823 -0.015 0.000 1.001 159 V HN 0.733 nan 8.190 nan 0.000 0.431 160 L N 4.862 126.100 121.223 0.024 0.000 2.362 160 L HA 0.856 5.196 4.340 0.001 0.000 0.275 160 L C -1.549 175.255 176.870 -0.111 0.000 0.998 160 L CA -0.468 54.305 54.840 -0.110 0.000 0.820 160 L CB 1.993 43.948 42.059 -0.172 0.000 1.270 160 L HN 0.470 nan 8.230 nan 0.000 0.415 161 V N 5.456 125.284 119.914 -0.145 0.000 2.398 161 V HA 0.493 4.613 4.120 0.001 0.000 0.282 161 V C -0.809 175.352 176.094 0.111 0.000 1.014 161 V CA -0.332 61.941 62.300 -0.046 0.000 0.838 161 V CB 1.133 32.921 31.823 -0.059 0.000 1.018 161 V HN 0.518 nan 8.190 nan 0.000 0.432 162 F N 2.765 122.653 119.950 -0.103 0.000 2.598 162 F HA 0.732 5.259 4.527 0.001 0.000 0.327 162 F C 0.022 175.795 175.800 -0.044 0.000 1.057 162 F CA -1.658 56.266 58.000 -0.127 0.000 0.957 162 F CB 2.230 41.171 39.000 -0.100 0.000 1.278 162 F HN 0.217 nan 8.300 nan 0.000 0.484 163 V N 4.573 124.568 119.914 0.137 0.000 2.407 163 V HA 0.816 4.937 4.120 0.001 0.000 0.291 163 V C -1.281 174.885 176.094 0.119 0.000 1.018 163 V CA -0.411 61.987 62.300 0.163 0.000 0.842 163 V CB 1.205 33.181 31.823 0.255 0.000 0.996 163 V HN 0.650 nan 8.190 nan 0.000 0.426 164 V N 4.298 124.191 119.914 -0.035 0.000 3.182 164 V HA 0.811 4.931 4.120 0.001 0.000 0.308 164 V C -2.915 172.791 176.094 -0.646 0.000 1.240 164 V CA -2.695 59.289 62.300 -0.527 0.000 1.063 164 V CB 1.847 33.299 31.823 -0.618 0.000 1.076 164 V HN 0.637 nan 8.190 nan 0.000 0.446 165 P HA 0.321 nan 4.420 nan 0.000 0.271 165 P C 0.335 177.403 177.300 -0.385 0.000 1.233 165 P CA 0.559 63.248 63.100 -0.684 0.000 0.789 165 P CB 0.706 31.956 31.700 -0.751 0.000 0.951 166 A N 0.837 123.506 122.820 -0.252 0.000 2.218 166 A HA -0.048 4.272 4.320 0.001 0.000 0.209 166 A C 1.869 179.180 177.584 -0.455 0.000 1.168 166 A CA 1.354 53.163 52.037 -0.380 0.000 0.804 166 A CB -1.647 17.246 19.000 -0.178 0.000 0.834 166 A HN 0.616 nan 8.150 nan 0.000 0.482 167 T N -1.678 112.763 114.554 -0.187 0.000 2.778 167 T HA -0.237 4.113 4.350 0.001 0.000 0.269 167 T C 1.769 176.413 174.700 -0.092 0.000 1.050 167 T CA 1.449 63.524 62.100 -0.041 0.000 1.137 167 T CB -0.829 68.119 68.868 0.134 0.000 0.860 167 T HN 0.849 nan 8.240 nan 0.000 0.468 168 W N 0.862 121.933 121.300 -0.382 0.000 2.611 168 W HA 0.137 4.798 4.660 0.001 0.000 0.251 168 W C 0.992 177.471 176.519 -0.067 0.000 1.265 168 W CA -0.373 56.730 57.345 -0.404 0.000 1.295 168 W CB -1.016 28.076 29.460 -0.613 0.000 1.129 168 W HN 0.187 nan 8.180 nan 0.000 0.630 169 L N 1.764 122.494 121.223 -0.822 0.000 2.141 169 L HA -0.189 4.152 4.340 0.001 0.000 0.209 169 L C 2.658 179.411 176.870 -0.194 0.000 1.094 169 L CA 2.423 56.805 54.840 -0.762 0.000 0.763 169 L CB -1.106 40.282 42.059 -1.118 0.000 0.908 169 L HN 0.108 nan 8.230 nan 0.000 0.437 170 V N -5.743 114.150 119.914 -0.035 0.000 3.539 170 V HA 0.263 4.384 4.120 0.001 0.000 0.262 170 V C 0.873 177.062 176.094 0.159 0.000 1.381 170 V CA -0.417 61.954 62.300 0.119 0.000 1.060 170 V CB -0.215 31.720 31.823 0.187 0.000 0.842 170 V HN -0.019 nan 8.190 nan 0.000 0.445 171 L N 1.439 122.797 121.223 0.225 0.000 2.426 171 L HA 0.346 4.687 4.340 0.001 0.000 0.271 171 L C 1.809 178.818 176.870 0.232 0.000 1.169 171 L CA -0.158 54.832 54.840 0.250 0.000 0.836 171 L CB 0.578 42.847 42.059 0.349 0.000 1.112 171 L HN 0.154 nan 8.230 nan 0.000 0.465 172 E N 1.169 121.441 120.200 0.119 0.000 2.153 172 E HA -0.196 4.154 4.350 0.001 0.000 0.194 172 E C 1.206 177.806 176.600 -0.001 0.000 0.988 172 E CA 1.137 57.576 56.400 0.066 0.000 0.811 172 E CB 0.076 29.792 29.700 0.027 0.000 0.746 172 E HN 0.638 nan 8.360 nan 0.000 0.466 173 D N -0.630 119.702 120.400 -0.113 0.000 2.263 173 D HA -0.129 4.511 4.640 0.001 0.000 0.208 173 D C 0.627 176.644 176.300 -0.472 0.000 0.971 173 D CA 0.694 54.470 54.000 -0.373 0.000 0.867 173 D CB -0.102 40.303 40.800 -0.657 0.000 0.929 173 D HN 0.160 nan 8.370 nan 0.000 0.492 174 F N -0.959 119.075 119.950 0.140 0.000 2.668 174 F HA 0.434 4.961 4.527 0.001 0.000 0.301 174 F C 1.829 177.748 175.800 0.197 0.000 1.106 174 F CA -0.430 57.689 58.000 0.200 0.000 1.289 174 F CB -0.128 39.012 39.000 0.233 0.000 1.006 174 F HN -0.145 nan 8.300 nan 0.000 0.535 175 A N 0.448 123.403 122.820 0.226 0.000 1.902 175 A HA -0.125 4.195 4.320 0.001 0.000 0.217 175 A C 2.163 179.833 177.584 0.143 0.000 1.181 175 A CA 1.528 53.671 52.037 0.176 0.000 0.623 175 A CB -0.701 18.359 19.000 0.101 0.000 0.818 175 A HN 0.429 nan 8.150 nan 0.000 0.443 176 L N -1.171 120.114 121.223 0.102 0.000 2.156 176 L HA -0.118 4.222 4.340 0.001 0.000 0.208 176 L C 2.522 179.473 176.870 0.135 0.000 1.095 176 L CA 0.900 55.784 54.840 0.074 0.000 0.770 176 L CB -0.463 41.593 42.059 -0.005 0.000 0.914 176 L HN 0.467 nan 8.230 nan 0.000 0.439 177 L N -0.054 121.288 121.223 0.198 0.000 2.056 177 L HA -0.164 4.177 4.340 0.001 0.000 0.207 177 L C 2.742 179.780 176.870 0.280 0.000 1.078 177 L CA 1.648 56.628 54.840 0.233 0.000 0.749 177 L CB -0.450 41.789 42.059 0.301 0.000 0.901 177 L HN 0.075 nan 8.230 nan 0.000 0.433 178 R N -0.356 120.343 120.500 0.331 0.000 2.073 178 R HA -0.164 4.176 4.340 0.001 0.000 0.234 178 R C 2.179 178.481 176.300 0.002 0.000 1.134 178 R CA 1.812 58.134 56.100 0.369 0.000 0.952 178 R CB -0.447 30.142 30.300 0.482 0.000 0.850 178 R HN 0.513 nan 8.270 nan 0.000 0.433 179 E N -0.039 120.157 120.200 -0.005 0.000 2.110 179 E HA -0.209 4.142 4.350 0.001 0.000 0.193 179 E C 1.663 178.253 176.600 -0.018 0.000 0.988 179 E CA 1.196 57.535 56.400 -0.101 0.000 0.804 179 E CB -0.164 29.524 29.700 -0.020 0.000 0.745 179 E HN 0.219 nan 8.360 nan 0.000 0.458 180 F N 1.267 121.185 119.950 -0.055 0.000 2.075 180 F HA -0.167 4.361 4.527 0.001 0.000 0.297 180 F C 1.834 177.624 175.800 -0.018 0.000 1.113 180 F CA 1.331 59.313 58.000 -0.031 0.000 1.218 180 F CB -0.195 38.792 39.000 -0.022 0.000 0.984 180 F HN -0.091 nan 8.300 nan 0.000 0.472 181 L N 0.159 121.400 121.223 0.030 0.000 2.079 181 L HA -0.208 4.132 4.340 0.001 0.000 0.210 181 L C 2.807 179.782 176.870 0.175 0.000 1.081 181 L CA 1.191 56.037 54.840 0.011 0.000 0.752 181 L CB -1.359 40.839 42.059 0.231 0.000 0.896 181 L HN 0.283 nan 8.230 nan 0.000 0.433 182 A N 1.094 123.877 122.820 -0.062 0.000 1.972 182 A HA -0.201 4.120 4.320 0.001 0.000 0.219 182 A C 2.321 179.879 177.584 -0.044 0.000 1.169 182 A CA 1.811 53.745 52.037 -0.173 0.000 0.635 182 A CB -0.470 18.064 19.000 -0.776 0.000 0.810 182 A HN 0.593 nan 8.150 nan 0.000 0.446 183 R N -1.640 118.807 120.500 -0.088 0.000 2.312 183 R HA 0.211 4.551 4.340 0.001 0.000 0.205 183 R C 0.819 177.078 176.300 -0.067 0.000 0.904 183 R CA 0.552 56.614 56.100 -0.063 0.000 1.052 183 R CB 0.055 30.316 30.300 -0.066 0.000 1.014 183 R HN 0.261 nan 8.270 nan 0.000 0.503 184 E N 1.025 121.167 120.200 -0.097 0.000 2.340 184 E HA 0.178 4.529 4.350 0.001 0.000 0.194 184 E C 0.767 177.461 176.600 0.157 0.000 0.996 184 E CA 1.018 57.386 56.400 -0.053 0.000 0.869 184 E CB 1.094 30.591 29.700 -0.338 0.000 0.835 184 E HN 0.518 nan 8.360 nan 0.000 0.493 185 G N 0.810 109.715 108.800 0.176 0.000 2.393 185 G HA2 0.230 4.191 3.960 0.001 0.000 0.264 185 G HA3 0.230 4.191 3.960 0.001 0.000 0.264 185 G C -1.469 173.369 174.900 -0.103 0.000 1.221 185 G CA -0.624 44.392 45.100 -0.139 0.000 0.912 185 G HN 0.039 nan 8.290 nan 0.000 0.483 186 K N -0.451 119.754 120.400 -0.325 0.000 2.164 186 K HA 0.776 5.096 4.320 0.001 0.000 0.258 186 K C -1.142 175.425 176.600 -0.056 0.000 0.951 186 K CA -0.503 55.731 56.287 -0.089 0.000 0.844 186 K CB 2.000 34.452 32.500 -0.080 0.000 1.099 186 K HN 0.343 nan 8.250 nan 0.000 0.435 187 T N 1.373 116.034 114.554 0.179 0.000 2.841 187 T HA 0.344 4.694 4.350 0.001 0.000 0.283 187 T C -0.935 173.855 174.700 0.151 0.000 1.000 187 T CA -0.822 61.429 62.100 0.251 0.000 0.977 187 T CB 1.620 70.722 68.868 0.390 0.000 0.979 187 T HN 0.561 nan 8.240 nan 0.000 0.446 188 S N 1.832 117.648 115.700 0.194 0.000 2.561 188 S HA 0.640 5.110 4.470 0.001 0.000 0.303 188 S C -0.585 174.106 174.600 0.152 0.000 1.110 188 S CA -0.667 57.639 58.200 0.177 0.000 1.034 188 S CB 1.306 64.649 63.200 0.238 0.000 1.010 188 S HN 0.506 nan 8.310 nan 0.000 0.482 189 V N 4.203 124.147 119.914 0.051 0.000 2.448 189 V HA 0.466 4.586 4.120 0.001 0.000 0.295 189 V C -1.546 174.573 176.094 0.042 0.000 1.025 189 V CA -0.686 61.676 62.300 0.104 0.000 0.859 189 V CB 1.032 32.846 31.823 -0.016 0.000 0.988 189 V HN 0.833 nan 8.190 nan 0.000 0.431 190 Y N 3.780 124.229 120.300 0.248 0.000 2.334 190 Y HA 0.442 4.992 4.550 0.001 0.000 0.336 190 Y C -0.269 175.768 175.900 0.228 0.000 0.960 190 Y CA -1.074 57.207 58.100 0.302 0.000 1.164 190 Y CB 0.991 39.645 38.460 0.325 0.000 1.155 190 Y HN 0.673 nan 8.280 nan 0.000 0.478 191 Y N 4.077 124.554 120.300 0.295 0.000 2.402 191 Y HA 0.250 4.801 4.550 0.001 0.000 0.333 191 Y C -0.017 175.900 175.900 0.029 0.000 1.076 191 Y CA 0.049 58.259 58.100 0.184 0.000 1.299 191 Y CB 0.559 39.181 38.460 0.270 0.000 1.197 191 Y HN 0.750 nan 8.280 nan 0.000 0.517 192 L N 4.818 125.568 121.223 -0.788 0.000 2.515 192 L HA 0.412 4.752 4.340 0.001 0.000 0.202 192 L C 1.275 177.607 176.870 -0.897 0.000 1.056 192 L CA 0.502 54.877 54.840 -0.775 0.000 0.847 192 L CB -0.304 41.359 42.059 -0.661 0.000 1.131 192 L HN 0.985 nan 8.230 nan 0.000 0.484 193 G N 0.671 108.853 108.800 -1.030 0.000 2.512 193 G HA2 -0.205 3.755 3.960 0.001 0.000 0.210 193 G HA3 -0.205 3.755 3.960 0.001 0.000 0.210 193 G C -0.550 174.213 174.900 -0.227 0.000 1.295 193 G CA -0.625 44.142 45.100 -0.555 0.000 0.934 193 G HN 0.204 nan 8.290 nan 0.000 0.554 194 E N 1.059 121.210 120.200 -0.081 0.000 1.802 194 E HA 0.304 4.655 4.350 0.001 0.000 0.265 194 E C 1.434 177.998 176.600 -0.059 0.000 1.168 194 E CA 0.334 56.726 56.400 -0.013 0.000 1.033 194 E CB 0.575 30.294 29.700 0.031 0.000 1.095 194 E HN 0.957 nan 8.360 nan 0.000 0.436 195 V N -0.667 119.141 119.914 -0.177 0.000 3.621 195 V HA 0.228 4.348 4.120 0.001 0.000 0.285 195 V C 0.115 175.996 176.094 -0.355 0.000 1.346 195 V CA -0.108 62.027 62.300 -0.274 0.000 1.104 195 V CB -0.544 31.038 31.823 -0.402 0.000 0.913 195 V HN 0.212 nan 8.190 nan 0.000 0.432 196 F N 2.389 122.346 119.950 0.012 0.000 2.361 196 F HA 0.665 5.193 4.527 0.001 0.000 0.364 196 F C -2.274 173.530 175.800 0.008 0.000 1.120 196 F CA -2.982 55.025 58.000 0.012 0.000 1.102 196 F CB 0.823 39.830 39.000 0.012 0.000 1.183 196 F HN -0.009 nan 8.300 nan 0.000 0.476 197 P HA 0.037 nan 4.420 nan 0.000 0.264 197 P C -0.373 176.979 177.300 0.086 0.000 1.193 197 P CA 0.445 63.597 63.100 0.088 0.000 0.763 197 P CB 0.402 32.138 31.700 0.058 0.000 0.810 198 Q N -0.667 119.169 119.800 0.061 0.000 2.406 198 Q HA -0.243 4.097 4.340 0.001 0.000 0.236 198 Q C -0.479 175.549 176.000 0.048 0.000 0.799 198 Q CA 1.310 57.139 55.803 0.044 0.000 1.286 198 Q CB -1.422 27.334 28.738 0.030 0.000 1.615 198 Q HN 0.535 nan 8.270 nan 0.000 0.621 199 K N 0.727 121.173 120.400 0.078 0.000 2.463 199 K HA 0.337 4.658 4.320 0.001 0.000 0.255 199 K C -0.813 175.840 176.600 0.088 0.000 0.942 199 K CA -0.694 55.633 56.287 0.067 0.000 0.814 199 K CB 1.365 33.893 32.500 0.047 0.000 1.122 199 K HN -0.053 nan 8.250 nan 0.000 0.425 200 K N 2.545 122.982 120.400 0.061 0.000 2.167 200 K HA 0.198 4.519 4.320 0.001 0.000 0.275 200 K C -0.749 175.895 176.600 0.074 0.000 1.103 200 K CA -0.186 56.137 56.287 0.061 0.000 0.963 200 K CB 0.567 33.091 32.500 0.039 0.000 1.243 200 K HN 0.221 nan 8.250 nan 0.000 0.407 201 V N 1.380 121.355 119.914 0.101 0.000 2.882 201 V HA 0.126 4.247 4.120 0.001 0.000 0.295 201 V C -1.400 174.764 176.094 0.116 0.000 1.273 201 V CA -0.623 61.737 62.300 0.100 0.000 0.949 201 V CB 2.250 34.140 31.823 0.111 0.000 1.071 201 V HN 0.600 nan 8.190 nan 0.000 0.432 202 S N 5.226 120.971 115.700 0.074 0.000 2.452 202 S HA 0.868 5.338 4.470 0.001 0.000 0.284 202 S C -0.003 174.597 174.600 0.000 0.000 1.171 202 S CA 0.338 58.574 58.200 0.060 0.000 1.064 202 S CB 0.889 64.184 63.200 0.157 0.000 0.967 202 S HN 1.695 nan 8.310 nan 0.000 0.484 203 A N 3.824 126.606 122.820 -0.062 0.000 2.354 203 A HA 0.888 5.209 4.320 0.001 0.000 0.321 203 A C -0.273 177.213 177.584 -0.164 0.000 1.125 203 A CA -0.659 51.338 52.037 -0.066 0.000 0.799 203 A CB 1.346 20.433 19.000 0.145 0.000 1.293 203 A HN 1.456 nan 8.150 nan 0.000 0.452 204 V N -1.365 118.510 119.914 -0.067 0.000 3.078 204 V HA 0.858 4.978 4.120 0.001 0.000 0.311 204 V C -0.805 175.364 176.094 0.124 0.000 1.138 204 V CA -0.773 61.534 62.300 0.011 0.000 1.007 204 V CB 1.411 33.252 31.823 0.030 0.000 1.045 204 V HN 0.726 nan 8.190 nan 0.000 0.432 205 V N 3.467 123.514 119.914 0.222 0.000 2.435 205 V HA 0.539 4.659 4.120 0.001 0.000 0.290 205 V C -0.180 176.113 176.094 0.332 0.000 1.030 205 V CA -0.413 62.024 62.300 0.229 0.000 0.881 205 V CB 1.546 33.458 31.823 0.148 0.000 0.983 205 V HN 0.889 nan 8.190 nan 0.000 0.445 206 I N 5.859 126.590 120.570 0.268 0.000 2.362 206 I HA 0.556 4.727 4.170 0.001 0.000 0.289 206 I C -0.059 176.181 176.117 0.205 0.000 0.994 206 I CA -0.598 60.876 61.300 0.290 0.000 1.158 206 I CB 0.690 38.823 38.000 0.222 0.000 1.315 206 I HN 0.634 nan 8.210 nan 0.000 0.451 207 R N 7.852 128.512 120.500 0.267 0.000 2.275 207 R HA 0.353 4.694 4.340 0.001 0.000 0.326 207 R C -2.018 174.414 176.300 0.221 0.000 0.973 207 R CA -0.505 55.704 56.100 0.183 0.000 0.854 207 R CB 0.993 31.406 30.300 0.189 0.000 1.156 207 R HN 0.625 nan 8.270 nan 0.000 0.487 208 F N 2.981 122.938 119.950 0.011 0.000 2.495 208 F HA 0.349 4.877 4.527 0.001 0.000 0.327 208 F C -0.898 174.900 175.800 -0.003 0.000 1.103 208 F CA -0.562 57.447 58.000 0.015 0.000 0.949 208 F CB 1.941 40.928 39.000 -0.022 0.000 1.142 208 F HN 0.479 nan 8.300 nan 0.000 0.457 209 Q N 5.316 124.615 119.800 -0.834 0.000 2.340 209 Q HA 0.266 4.606 4.340 0.001 0.000 0.268 209 Q C -1.036 174.412 176.000 -0.919 0.000 1.031 209 Q CA -0.906 54.550 55.803 -0.579 0.000 0.804 209 Q CB 1.766 30.335 28.738 -0.282 0.000 1.286 209 Q HN 0.753 nan 8.270 nan 0.000 0.448 210 K N 2.623 122.781 120.400 -0.404 0.000 2.715 210 K HA 0.138 4.458 4.320 0.001 0.000 0.248 210 K C -1.401 175.119 176.600 -0.134 0.000 1.276 210 K CA 0.222 56.409 56.287 -0.165 0.000 1.209 210 K CB -0.328 32.234 32.500 0.104 0.000 1.509 210 K HN 0.644 nan 8.250 nan 0.000 0.261 211 S N -0.815 114.762 115.700 -0.206 0.000 2.622 211 S HA 0.601 5.072 4.470 0.001 0.000 0.275 211 S C 0.051 174.584 174.600 -0.111 0.000 1.112 211 S CA -0.664 57.470 58.200 -0.110 0.000 0.837 211 S CB 0.935 64.088 63.200 -0.078 0.000 1.082 211 S HN 0.579 nan 8.310 nan 0.000 0.456 212 G N 1.599 110.366 108.800 -0.056 0.000 2.601 212 G HA2 0.077 4.038 3.960 0.001 0.000 0.261 212 G HA3 0.077 4.038 3.960 0.001 0.000 0.261 212 G C -0.481 174.409 174.900 -0.018 0.000 1.289 212 G CA 0.856 45.936 45.100 -0.033 0.000 0.920 212 G HN 1.990 nan 8.290 nan 0.000 0.571 213 K N -1.851 118.555 120.400 0.010 0.000 2.670 213 K HA 0.727 5.047 4.320 0.001 0.000 0.289 213 K C 0.133 176.794 176.600 0.101 0.000 1.045 213 K CA 0.050 56.376 56.287 0.065 0.000 0.834 213 K CB 1.199 33.742 32.500 0.072 0.000 1.531 213 K HN 2.799 nan 8.250 nan 0.000 0.376 214 G N -0.371 108.551 108.800 0.203 0.000 2.612 214 G HA2 0.202 4.163 3.960 0.001 0.000 0.686 214 G HA3 0.202 4.163 3.960 0.001 0.000 0.686 214 G C -2.077 172.990 174.900 0.279 0.000 1.274 214 G CA -0.432 44.805 45.100 0.228 0.000 0.849 214 G HN 0.901 nan 8.290 nan 0.000 0.595 215 L N 0.021 121.356 121.223 0.186 0.000 2.410 215 L HA 0.875 5.215 4.340 0.001 0.000 0.270 215 L C -0.078 176.777 176.870 -0.026 0.000 0.983 215 L CA -0.417 54.394 54.840 -0.047 0.000 0.822 215 L CB 2.335 44.051 42.059 -0.572 0.000 1.285 215 L HN 0.866 nan 8.230 nan 0.000 0.409 216 S N 4.936 120.613 115.700 -0.039 0.000 2.473 216 S HA 0.723 5.193 4.470 0.001 0.000 0.307 216 S C -1.133 173.397 174.600 -0.117 0.000 1.094 216 S CA -0.407 57.743 58.200 -0.083 0.000 1.070 216 S CB 1.470 64.704 63.200 0.058 0.000 1.019 216 S HN 0.605 nan 8.310 nan 0.000 0.480 217 L N 4.005 125.090 121.223 -0.230 0.000 2.313 217 L HA 0.767 5.107 4.340 0.001 0.000 0.283 217 L C -1.970 174.810 176.870 -0.149 0.000 1.013 217 L CA -0.242 54.489 54.840 -0.182 0.000 0.816 217 L CB 0.532 42.420 42.059 -0.284 0.000 1.236 217 L HN 0.706 nan 8.230 nan 0.000 0.419 218 W N 3.482 124.745 121.300 -0.062 0.000 2.844 218 W HA 0.505 5.165 4.660 0.001 0.000 0.340 218 W C -0.201 176.510 176.519 0.321 0.000 1.093 218 W CA -0.532 56.880 57.345 0.113 0.000 1.212 218 W CB 1.193 30.597 29.460 -0.093 0.000 1.422 218 W HN 0.450 nan 8.180 nan 0.000 0.515 219 D N 0.221 121.003 120.400 0.637 0.000 2.478 219 D HA 0.668 5.308 4.640 0.001 0.000 0.263 219 D C -0.340 176.214 176.300 0.422 0.000 1.153 219 D CA -0.038 54.244 54.000 0.471 0.000 1.038 219 D CB 1.623 42.639 40.800 0.361 0.000 1.120 219 D HN 0.352 nan 8.370 nan 0.000 0.564 220 T N -2.378 112.343 114.554 0.279 0.000 2.843 220 T HA 0.664 5.014 4.350 0.001 0.000 0.302 220 T C -1.133 173.656 174.700 0.149 0.000 1.232 220 T CA -0.930 61.267 62.100 0.162 0.000 1.009 220 T CB 1.682 70.507 68.868 -0.073 0.000 1.254 220 T HN 0.511 nan 8.240 nan 0.000 0.504 221 Q N -0.106 119.780 119.800 0.144 0.000 2.418 221 Q HA 0.605 4.946 4.340 0.001 0.000 0.282 221 Q C -1.351 174.722 176.000 0.121 0.000 1.044 221 Q CA -1.110 54.773 55.803 0.133 0.000 0.813 221 Q CB 1.920 30.715 28.738 0.095 0.000 1.428 221 Q HN 0.705 nan 8.270 nan 0.000 0.402 222 E N 1.061 121.292 120.200 0.051 0.000 2.398 222 E HA 0.281 4.631 4.350 0.001 0.000 0.263 222 E C -0.490 176.015 176.600 -0.158 0.000 1.046 222 E CA 0.243 56.543 56.400 -0.165 0.000 0.908 222 E CB 0.903 30.503 29.700 -0.168 0.000 0.963 222 E HN 0.661 nan 8.360 nan 0.000 0.431 223 S N 1.028 116.576 115.700 -0.253 0.000 2.745 223 S HA 0.249 4.719 4.470 0.001 0.000 0.306 223 S C 0.751 175.250 174.600 -0.168 0.000 1.137 223 S CA -0.930 57.179 58.200 -0.152 0.000 0.900 223 S CB 1.362 64.497 63.200 -0.108 0.000 1.176 223 S HN 0.575 nan 8.310 nan 0.000 0.520 224 E N 0.770 120.905 120.200 -0.108 0.000 2.085 224 E HA -0.146 4.205 4.350 0.001 0.000 0.194 224 E C 1.972 178.501 176.600 -0.119 0.000 0.994 224 E CA 1.795 58.135 56.400 -0.099 0.000 0.801 224 E CB -0.152 29.510 29.700 -0.064 0.000 0.743 224 E HN 0.744 nan 8.360 nan 0.000 0.453 225 S N -1.364 114.267 115.700 -0.116 0.000 2.468 225 S HA 0.189 4.659 4.470 0.001 0.000 0.226 225 S C 1.257 175.759 174.600 -0.164 0.000 1.051 225 S CA 0.419 58.553 58.200 -0.109 0.000 0.943 225 S CB 1.071 64.234 63.200 -0.061 0.000 0.810 225 S HN 0.284 nan 8.310 nan 0.000 0.509 226 G N 0.269 108.926 108.800 -0.238 0.000 3.450 226 G HA2 0.518 4.478 3.960 0.001 0.000 0.147 226 G HA3 0.518 4.478 3.960 0.001 0.000 0.147 226 G C -1.176 173.197 174.900 -0.879 0.000 1.269 226 G CA -0.480 44.366 45.100 -0.423 0.000 1.388 226 G HN 0.314 nan 8.290 nan 0.000 0.731 227 F N 0.746 120.585 119.950 -0.185 0.000 2.613 227 F HA 0.670 5.197 4.527 0.001 0.000 0.310 227 F C -0.436 175.163 175.800 -0.335 0.000 1.085 227 F CA -0.662 57.090 58.000 -0.414 0.000 0.945 227 F CB 2.667 41.115 39.000 -0.920 0.000 1.298 227 F HN 0.090 nan 8.300 nan 0.000 0.455 228 T N 3.173 117.710 114.554 -0.030 0.000 2.792 228 T HA 0.462 4.812 4.350 0.001 0.000 0.280 228 T C -2.829 171.944 174.700 0.121 0.000 0.990 228 T CA -1.599 60.539 62.100 0.064 0.000 0.960 228 T CB 1.714 70.629 68.868 0.080 0.000 0.939 228 T HN 0.073 nan 8.240 nan 0.000 0.439 229 P HA 0.386 nan 4.420 nan 0.000 0.280 229 P C -0.839 176.770 177.300 0.516 0.000 1.244 229 P CA -0.568 62.778 63.100 0.410 0.000 0.784 229 P CB 0.536 32.433 31.700 0.329 0.000 0.913 230 I N 3.742 124.687 120.570 0.625 0.000 2.439 230 I HA 0.204 4.375 4.170 0.001 0.000 0.283 230 I C -0.090 176.339 176.117 0.520 0.000 1.023 230 I CA -1.052 60.547 61.300 0.499 0.000 1.100 230 I CB 1.306 39.511 38.000 0.341 0.000 1.238 230 I HN 0.259 nan 8.210 nan 0.000 0.445 231 L N 6.688 128.050 121.223 0.231 0.000 2.513 231 L HA 0.021 4.362 4.340 0.001 0.000 0.272 231 L C 0.500 177.313 176.870 -0.095 0.000 1.187 231 L CA 0.959 55.559 54.840 -0.400 0.000 0.895 231 L CB 0.394 42.034 42.059 -0.698 0.000 1.147 231 L HN 0.706 nan 8.230 nan 0.000 0.483 232 W N 5.619 126.766 121.300 -0.255 0.000 2.922 232 W HA 0.494 5.155 4.660 0.001 0.000 0.260 232 W C -0.256 176.157 176.519 -0.177 0.000 1.088 232 W CA 0.748 58.041 57.345 -0.086 0.000 1.694 232 W CB 0.413 29.961 29.460 0.146 0.000 1.064 232 W HN 0.634 nan 8.180 nan 0.000 0.611 233 A N 0.871 123.718 122.820 0.045 0.000 2.606 233 A HA 0.580 4.900 4.320 0.001 0.000 0.293 233 A C -1.623 175.780 177.584 -0.300 0.000 1.082 233 A CA -0.556 51.396 52.037 -0.142 0.000 0.685 233 A CB 1.632 20.651 19.000 0.030 0.000 1.284 233 A HN 0.125 nan 8.150 nan 0.000 0.408 234 E N -0.087 119.832 120.200 -0.467 0.000 2.256 234 E HA 0.494 4.844 4.350 0.001 0.000 0.268 234 E C -2.114 174.166 176.600 -0.533 0.000 0.877 234 E CA -0.286 55.891 56.400 -0.372 0.000 0.757 234 E CB 2.104 31.644 29.700 -0.266 0.000 1.183 234 E HN 0.527 nan 8.360 nan 0.000 0.418 235 Y N 2.566 122.821 120.300 -0.075 0.000 2.749 235 Y HA 0.209 4.760 4.550 0.001 0.000 0.343 235 Y C -1.678 174.233 175.900 0.018 0.000 1.015 235 Y CA -1.989 56.114 58.100 0.004 0.000 1.270 235 Y CB 0.969 39.457 38.460 0.047 0.000 1.097 235 Y HN 0.454 nan 8.280 nan 0.000 0.571 236 P HA -0.176 nan 4.420 nan 0.000 0.221 236 P C 0.191 177.385 177.300 -0.177 0.000 1.145 236 P CA 1.690 64.693 63.100 -0.161 0.000 0.795 236 P CB 0.270 31.755 31.700 -0.359 0.000 0.775 237 H N -3.239 115.955 119.070 0.206 0.000 2.507 237 H HA 0.151 4.708 4.556 0.001 0.000 0.294 237 H C 0.132 175.606 175.328 0.243 0.000 1.064 237 H CA -0.902 55.257 56.048 0.184 0.000 1.138 237 H CB -0.699 29.145 29.762 0.135 0.000 1.515 237 H HN 0.116 nan 8.280 nan 0.000 0.547 238 W N 2.497 123.901 121.300 0.174 0.000 2.385 238 W HA -0.032 4.628 4.660 0.000 0.000 0.336 238 W C 0.233 176.820 176.519 0.113 0.000 1.351 238 W CA 0.245 57.668 57.345 0.130 0.000 1.295 238 W CB 0.457 29.985 29.460 0.112 0.000 1.239 238 W HN 0.263 nan 8.180 nan 0.000 0.565 239 E N 3.287 123.256 120.200 -0.386 0.000 2.603 239 E HA 0.235 4.585 4.350 0.001 0.000 0.211 239 E C 1.177 177.347 176.600 -0.716 0.000 0.995 239 E CA 0.410 56.546 56.400 -0.440 0.000 0.990 239 E CB 0.410 30.015 29.700 -0.159 0.000 1.036 239 E HN 0.830 nan 8.360 nan 0.000 0.475 240 G N 2.193 110.113 108.800 -1.467 0.000 2.154 240 G HA2 -0.205 3.755 3.960 0.001 0.000 0.186 240 G HA3 -0.205 3.755 3.960 0.001 0.000 0.186 240 G C 0.060 174.890 174.900 -0.116 0.000 1.000 240 G CA -0.075 44.493 45.100 -0.887 0.000 0.664 240 G HN 0.247 nan 8.290 nan 0.000 0.513 241 E N 0.860 121.071 120.200 0.018 0.000 2.392 241 E HA 0.423 4.774 4.350 0.001 0.000 0.256 241 E C 0.838 177.622 176.600 0.308 0.000 1.145 241 E CA -0.739 55.767 56.400 0.176 0.000 0.929 241 E CB 1.118 30.899 29.700 0.135 0.000 0.998 241 E HN 0.396 nan 8.360 nan 0.000 0.442 242 I N 0.846 121.529 120.570 0.189 0.000 2.919 242 I HA -0.147 4.024 4.170 0.001 0.000 0.303 242 I C 0.510 176.659 176.117 0.053 0.000 1.221 242 I CA 0.672 62.063 61.300 0.151 0.000 1.444 242 I CB -0.066 38.028 38.000 0.158 0.000 1.331 242 I HN 0.284 nan 8.210 nan 0.000 0.572 243 I N 7.471 128.006 120.570 -0.059 0.000 2.331 243 I HA 0.394 4.565 4.170 0.001 0.000 0.292 243 I C 0.155 176.172 176.117 -0.167 0.000 0.998 243 I CA -0.382 60.752 61.300 -0.277 0.000 1.267 243 I CB 0.655 38.357 38.000 -0.497 0.000 1.386 243 I HN 0.603 nan 8.210 nan 0.000 0.476 244 R N 4.663 125.034 120.500 -0.215 0.000 2.836 244 R HA 0.522 4.863 4.340 0.001 0.000 0.269 244 R C -1.489 174.625 176.300 -0.310 0.000 1.010 244 R CA -0.870 55.141 56.100 -0.147 0.000 0.930 244 R CB 1.793 31.980 30.300 -0.188 0.000 1.218 244 R HN 0.268 nan 8.270 nan 0.000 0.473 245 F N 1.920 121.713 119.950 -0.262 0.000 2.351 245 F HA 0.249 4.776 4.527 0.001 0.000 0.362 245 F C 0.314 176.074 175.800 -0.067 0.000 1.131 245 F CA -0.255 57.518 58.000 -0.378 0.000 1.187 245 F CB 0.735 39.247 39.000 -0.813 0.000 1.434 245 F HN 0.238 nan 8.300 nan 0.000 0.553 246 E N 1.149 121.533 120.200 0.307 0.000 2.283 246 E HA 0.570 4.920 4.350 0.001 0.000 0.267 246 E C 0.013 176.839 176.600 0.377 0.000 1.045 246 E CA -0.680 55.877 56.400 0.262 0.000 0.884 246 E CB 1.547 31.367 29.700 0.200 0.000 1.106 246 E HN 0.489 nan 8.360 nan 0.000 0.408 247 T N -2.752 111.929 114.554 0.212 0.000 2.838 247 T HA 0.181 4.531 4.350 0.001 0.000 0.292 247 T C 0.806 175.552 174.700 0.078 0.000 1.113 247 T CA -0.879 61.298 62.100 0.128 0.000 1.008 247 T CB 1.558 70.503 68.868 0.129 0.000 1.259 247 T HN 0.596 nan 8.240 nan 0.000 0.520 248 E N 0.069 120.287 120.200 0.030 0.000 2.204 248 E HA -0.174 4.176 4.350 0.001 0.000 0.195 248 E C 1.528 178.163 176.600 0.059 0.000 0.990 248 E CA 1.376 57.793 56.400 0.029 0.000 0.821 248 E CB 0.014 29.714 29.700 0.000 0.000 0.750 248 E HN 0.746 nan 8.360 nan 0.000 0.477 249 E N -0.386 119.858 120.200 0.074 0.000 2.076 249 E HA -0.123 4.227 4.350 0.001 0.000 0.190 249 E C 2.267 178.963 176.600 0.160 0.000 0.979 249 E CA 1.588 58.049 56.400 0.102 0.000 0.807 249 E CB -0.080 29.680 29.700 0.099 0.000 0.761 249 E HN 0.390 nan 8.360 nan 0.000 0.454 250 T N -0.101 114.563 114.554 0.183 0.000 2.788 250 T HA -0.124 4.226 4.350 0.001 0.000 0.268 250 T C 1.914 176.768 174.700 0.258 0.000 1.044 250 T CA 0.788 63.058 62.100 0.283 0.000 1.139 250 T CB -0.190 68.736 68.868 0.096 0.000 0.867 250 T HN 0.032 nan 8.240 nan 0.000 0.454 251 R N 1.078 121.674 120.500 0.159 0.000 2.062 251 R HA 0.098 4.438 4.340 0.001 0.000 0.229 251 R C 2.737 179.102 176.300 0.108 0.000 1.128 251 R CA 1.329 57.507 56.100 0.129 0.000 0.960 251 R CB -0.322 30.036 30.300 0.097 0.000 0.855 251 R HN 0.422 nan 8.270 nan 0.000 0.432 252 K N 0.948 121.403 120.400 0.092 0.000 2.103 252 K HA -0.161 4.159 4.320 0.001 0.000 0.207 252 K C 2.059 178.699 176.600 0.068 0.000 1.048 252 K CA 1.057 57.384 56.287 0.068 0.000 0.930 252 K CB -0.059 32.475 32.500 0.057 0.000 0.716 252 K HN 0.007 nan 8.250 nan 0.000 0.444 253 L N 1.677 122.952 121.223 0.087 0.000 2.072 253 L HA -0.107 4.233 4.340 0.001 0.000 0.205 253 L C 1.799 178.699 176.870 0.049 0.000 1.079 253 L CA 1.695 56.567 54.840 0.053 0.000 0.752 253 L CB -0.193 41.861 42.059 -0.008 0.000 0.906 253 L HN 0.198 nan 8.230 nan 0.000 0.436 254 E N -0.302 119.953 120.200 0.091 0.000 2.110 254 E HA -0.199 4.151 4.350 0.001 0.000 0.193 254 E C 2.022 178.674 176.600 0.087 0.000 0.988 254 E CA 1.440 57.905 56.400 0.108 0.000 0.804 254 E CB -0.311 29.486 29.700 0.162 0.000 0.745 254 E HN 0.578 nan 8.360 nan 0.000 0.458 255 I N 0.097 120.711 120.570 0.073 0.000 3.251 255 I HA -0.059 4.112 4.170 0.001 0.000 0.277 255 I C 2.051 178.190 176.117 0.037 0.000 1.268 255 I CA 1.300 62.633 61.300 0.055 0.000 1.449 255 I CB -0.823 37.205 38.000 0.048 0.000 1.083 255 I HN -0.068 nan 8.210 nan 0.000 0.464 256 S N 0.773 116.492 115.700 0.031 0.000 2.447 256 S HA 0.172 4.642 4.470 0.001 0.000 0.233 256 S C 1.139 175.737 174.600 -0.004 0.000 1.006 256 S CA 0.446 58.648 58.200 0.004 0.000 0.957 256 S CB -0.712 62.484 63.200 -0.005 0.000 0.773 256 S HN 0.696 nan 8.310 nan 0.000 0.507 257 G N -0.040 108.777 108.800 0.029 0.000 2.766 257 G HA2 0.595 4.555 3.960 0.001 0.000 0.288 257 G HA3 0.595 4.555 3.960 0.001 0.000 0.288 257 G C -1.284 173.661 174.900 0.074 0.000 1.408 257 G CA -1.061 44.064 45.100 0.041 0.000 0.852 257 G HN 0.355 nan 8.290 nan 0.000 0.487 258 M N 0.766 120.421 119.600 0.092 0.000 2.249 258 M HA 0.422 4.902 4.480 0.001 0.000 0.351 258 M C -2.377 173.999 176.300 0.127 0.000 1.180 258 M CA -1.518 53.843 55.300 0.102 0.000 1.127 258 M CB 1.773 34.437 32.600 0.106 0.000 1.546 258 M HN 0.084 nan 8.290 nan 0.000 0.461 259 P HA -0.060 nan 4.420 nan 0.000 0.266 259 P C 0.198 177.584 177.300 0.143 0.000 1.195 259 P CA -0.117 63.057 63.100 0.124 0.000 0.768 259 P CB 0.475 32.236 31.700 0.102 0.000 0.838 260 L N 4.283 125.602 121.223 0.161 0.000 2.131 260 L HA -0.052 4.288 4.340 0.001 0.000 0.210 260 L C 2.148 179.144 176.870 0.211 0.000 1.092 260 L CA 2.289 57.258 54.840 0.214 0.000 0.759 260 L CB -1.453 40.697 42.059 0.152 0.000 0.903 260 L HN 0.520 nan 8.230 nan 0.000 0.435 261 G N -1.550 107.325 108.800 0.124 0.000 2.498 261 G HA2 -0.237 3.723 3.960 0.001 0.000 0.219 261 G HA3 -0.237 3.723 3.960 0.001 0.000 0.219 261 G C 1.041 175.983 174.900 0.071 0.000 1.119 261 G CA 0.816 45.973 45.100 0.095 0.000 0.766 261 G HN 0.421 nan 8.290 nan 0.000 0.552 262 D N -0.255 120.187 120.400 0.070 0.000 2.347 262 D HA 0.096 4.736 4.640 0.001 0.000 0.213 262 D C 2.277 178.565 176.300 -0.021 0.000 0.985 262 D CA 0.264 54.286 54.000 0.037 0.000 0.879 262 D CB 0.260 41.095 40.800 0.059 0.000 0.919 262 D HN 0.335 nan 8.370 nan 0.000 0.526 263 L N -1.513 119.679 121.223 -0.052 0.000 2.575 263 L HA 0.240 4.580 4.340 0.001 0.000 0.228 263 L C -0.136 176.337 176.870 -0.662 0.000 1.075 263 L CA 0.207 54.852 54.840 -0.324 0.000 0.867 263 L CB 0.404 42.285 42.059 -0.298 0.000 1.097 263 L HN -0.147 nan 8.230 nan 0.000 0.485 264 F N -1.771 118.112 119.950 -0.110 0.000 2.576 264 F HA 0.443 4.970 4.527 0.000 0.000 0.313 264 F C 0.157 175.866 175.800 -0.151 0.000 1.078 264 F CA -0.960 56.960 58.000 -0.135 0.000 0.921 264 F CB 1.156 40.124 39.000 -0.053 0.000 1.232 264 F HN -0.167 nan 8.300 nan 0.000 0.459 265 H N 3.426 122.588 119.070 0.153 0.000 2.620 265 H HA 0.434 4.990 4.556 0.001 0.000 0.313 265 H C -0.329 175.022 175.328 0.039 0.000 1.075 265 H CA -0.057 56.028 56.048 0.062 0.000 1.397 265 H CB 1.153 30.925 29.762 0.017 0.000 1.446 265 H HN 0.414 nan 8.280 nan 0.000 0.493 266 I N 4.961 125.616 120.570 0.142 0.000 2.321 266 I HA 0.261 4.431 4.170 0.001 0.000 0.291 266 I C 0.420 176.587 176.117 0.083 0.000 0.998 266 I CA -0.540 60.800 61.300 0.065 0.000 1.227 266 I CB 0.636 38.652 38.000 0.026 0.000 1.368 266 I HN 0.253 nan 8.210 nan 0.000 0.466 267 R N 4.783 125.290 120.500 0.012 0.000 2.919 267 R HA 0.581 4.921 4.340 0.001 0.000 0.260 267 R C -1.208 175.208 176.300 0.192 0.000 1.067 267 R CA -0.966 55.166 56.100 0.054 0.000 1.003 267 R CB 2.284 32.489 30.300 -0.157 0.000 1.192 267 R HN 0.377 nan 8.270 nan 0.000 0.488 268 F N -0.129 119.900 119.950 0.132 0.000 2.541 268 F HA 0.614 5.141 4.527 0.001 0.000 0.331 268 F C 0.179 176.145 175.800 0.278 0.000 1.057 268 F CA -0.594 57.488 58.000 0.138 0.000 0.975 268 F CB 1.625 40.619 39.000 -0.010 0.000 1.246 268 F HN 0.639 nan 8.300 nan 0.000 0.484 269 A N 2.023 124.823 122.820 -0.034 0.000 2.406 269 A HA 0.582 4.902 4.320 0.001 0.000 0.243 269 A C -0.310 177.504 177.584 0.383 0.000 1.082 269 A CA -0.045 52.153 52.037 0.269 0.000 0.786 269 A CB -0.341 18.825 19.000 0.276 0.000 1.029 269 A HN 1.073 nan 8.150 nan 0.000 0.495 270 A N 1.583 124.631 122.820 0.381 0.000 2.445 270 A HA 0.499 4.820 4.320 0.001 0.000 0.242 270 A C 0.556 178.360 177.584 0.367 0.000 1.075 270 A CA -0.366 51.807 52.037 0.227 0.000 0.777 270 A CB 0.051 19.023 19.000 -0.048 0.000 1.013 270 A HN 0.778 nan 8.150 nan 0.000 0.493 271 R N 1.460 122.117 120.500 0.261 0.000 2.560 271 R HA 0.249 4.589 4.340 0.001 0.000 0.270 271 R C 1.705 178.202 176.300 0.329 0.000 1.074 271 R CA 0.139 56.407 56.100 0.281 0.000 1.140 271 R CB -0.120 30.291 30.300 0.184 0.000 1.073 271 R HN 0.965 nan 8.270 nan 0.000 0.527 272 S N 1.059 116.931 115.700 0.286 0.000 2.372 272 S HA -0.149 4.321 4.470 0.001 0.000 0.227 272 S C -1.000 173.745 174.600 0.242 0.000 1.044 272 S CA 1.325 59.685 58.200 0.267 0.000 1.050 272 S CB -1.165 62.120 63.200 0.142 0.000 0.901 272 S HN 0.436 nan 8.310 nan 0.000 0.447 273 P HA -0.066 nan 4.420 nan 0.000 0.216 273 P C 1.373 178.740 177.300 0.112 0.000 1.150 273 P CA 1.475 64.648 63.100 0.121 0.000 0.837 273 P CB -0.170 31.584 31.700 0.090 0.000 0.786 274 E N -1.556 118.696 120.200 0.088 0.000 2.077 274 E HA -0.180 4.170 4.350 0.001 0.000 0.193 274 E C 1.780 178.354 176.600 -0.044 0.000 0.989 274 E CA 1.091 57.481 56.400 -0.017 0.000 0.800 274 E CB -0.566 29.061 29.700 -0.122 0.000 0.746 274 E HN 0.267 nan 8.360 nan 0.000 0.452 275 F N 1.340 121.332 119.950 0.069 0.000 2.084 275 F HA -0.101 4.426 4.527 0.000 0.000 0.296 275 F C 2.278 178.133 175.800 0.092 0.000 1.111 275 F CA 1.195 59.232 58.000 0.062 0.000 1.224 275 F CB -0.180 38.833 39.000 0.022 0.000 0.991 275 F HN -0.188 nan 8.300 nan 0.000 0.471 276 K N 0.425 120.988 120.400 0.271 0.000 2.218 276 K HA -0.214 4.106 4.320 0.001 0.000 0.205 276 K C 1.685 178.366 176.600 0.134 0.000 1.046 276 K CA 1.684 58.076 56.287 0.175 0.000 0.933 276 K CB -0.225 32.354 32.500 0.132 0.000 0.728 276 K HN 0.355 nan 8.250 nan 0.000 0.454 277 K N -0.375 120.099 120.400 0.122 0.000 2.367 277 K HA 0.001 4.322 4.320 0.001 0.000 0.194 277 K C 0.086 176.732 176.600 0.077 0.000 1.027 277 K CA -0.037 56.297 56.287 0.080 0.000 1.075 277 K CB 0.047 32.579 32.500 0.054 0.000 0.845 277 K HN 0.046 nan 8.250 nan 0.000 0.529 278 H N 3.019 122.106 119.070 0.028 0.000 2.722 278 H HA 0.101 4.657 4.556 0.000 0.000 0.328 278 H C -1.519 173.829 175.328 0.034 0.000 1.067 278 H CA -1.521 54.535 56.048 0.013 0.000 1.447 278 H CB 1.346 31.108 29.762 -0.001 0.000 1.469 278 H HN -0.054 nan 8.280 nan 0.000 0.544 279 P HA -0.173 nan 4.420 nan 0.000 0.221 279 P C 0.500 177.776 177.300 -0.040 0.000 1.145 279 P CA 1.489 64.479 63.100 -0.183 0.000 0.795 279 P CB 0.227 31.783 31.700 -0.240 0.000 0.775 280 A N -0.547 122.336 122.820 0.105 0.000 2.267 280 A HA 0.221 4.542 4.320 0.001 0.000 0.213 280 A C 1.067 178.790 177.584 0.231 0.000 1.192 280 A CA 0.031 52.200 52.037 0.220 0.000 0.851 280 A CB -0.234 18.952 19.000 0.310 0.000 0.881 280 A HN 0.049 nan 8.150 nan 0.000 0.494 281 V N 1.879 121.953 119.914 0.267 0.000 2.649 281 V HA 0.376 4.496 4.120 0.001 0.000 0.292 281 V C 0.140 176.338 176.094 0.173 0.000 1.055 281 V CA -0.330 62.106 62.300 0.226 0.000 1.023 281 V CB 0.959 32.941 31.823 0.265 0.000 0.992 281 V HN 0.459 nan 8.190 nan 0.000 0.480 282 R N 2.931 123.546 120.500 0.192 0.000 2.867 282 R HA 0.498 4.838 4.340 0.001 0.000 0.268 282 R C -0.403 176.050 176.300 0.254 0.000 1.014 282 R CA -1.016 55.184 56.100 0.167 0.000 0.946 282 R CB 1.346 31.709 30.300 0.106 0.000 1.208 282 R HN 0.423 nan 8.270 nan 0.000 0.477 283 K N 0.672 121.193 120.400 0.202 0.000 2.410 283 K HA 0.209 4.529 4.320 0.001 0.000 0.200 283 K C -0.352 176.417 176.600 0.282 0.000 1.023 283 K CA 0.291 56.744 56.287 0.277 0.000 1.149 283 K CB 0.490 33.084 32.500 0.157 0.000 0.859 283 K HN 0.284 nan 8.250 nan 0.000 0.514 284 E N 0.345 120.562 120.200 0.027 0.000 2.340 284 E HA 0.293 4.644 4.350 0.001 0.000 0.273 284 E C -2.704 173.277 176.600 -1.032 0.000 0.891 284 E CA -2.346 53.767 56.400 -0.478 0.000 0.757 284 E CB 1.625 31.166 29.700 -0.265 0.000 1.231 284 E HN -0.142 nan 8.360 nan 0.000 0.439 285 P HA 0.333 nan 4.420 nan 0.000 0.273 285 P C -0.135 176.779 177.300 -0.643 0.000 1.250 285 P CA -0.028 62.145 63.100 -1.544 0.000 0.793 285 P CB 0.860 31.896 31.700 -1.106 0.000 1.011 286 G N -0.952 107.608 108.800 -0.401 0.000 2.495 286 G HA2 0.381 4.342 3.960 0.001 0.000 0.294 286 G HA3 0.381 4.342 3.960 0.001 0.000 0.294 286 G C -2.591 172.238 174.900 -0.118 0.000 1.397 286 G CA -0.789 44.186 45.100 -0.209 0.000 0.790 286 G HN 0.138 nan 8.290 nan 0.000 0.486 287 P HA -0.095 nan 4.420 nan 0.000 0.209 287 P C 1.636 178.918 177.300 -0.030 0.000 1.080 287 P CA 2.385 65.458 63.100 -0.045 0.000 0.971 287 P CB 0.103 31.782 31.700 -0.036 0.000 0.768 288 G N -1.415 107.371 108.800 -0.023 0.000 3.609 288 G HA2 0.346 4.306 3.960 0.001 0.000 0.280 288 G HA3 0.346 4.306 3.960 0.001 0.000 0.280 288 G C -0.093 174.802 174.900 -0.008 0.000 1.155 288 G CA -0.207 44.884 45.100 -0.014 0.000 0.876 288 G HN 0.107 nan 8.290 nan 0.000 0.535 289 L N 0.632 121.855 121.223 0.000 0.000 2.307 289 L HA 0.572 4.912 4.340 0.001 0.000 0.282 289 L C -0.389 176.558 176.870 0.129 0.000 1.051 289 L CA -0.777 54.097 54.840 0.057 0.000 0.804 289 L CB 1.971 44.050 42.059 0.034 0.000 1.197 289 L HN -0.170 nan 8.230 nan 0.000 0.431 290 V N 4.335 124.322 119.914 0.122 0.000 2.769 290 V HA 0.502 4.622 4.120 0.001 0.000 0.312 290 V C -2.118 174.022 176.094 0.076 0.000 1.061 290 V CA -1.893 60.443 62.300 0.061 0.000 0.931 290 V CB 3.061 34.667 31.823 -0.362 0.000 1.010 290 V HN 0.595 nan 8.190 nan 0.000 0.433 291 P HA 0.119 nan 4.420 nan 0.000 0.271 291 P C -0.559 176.514 177.300 -0.378 0.000 1.216 291 P CA 0.117 62.941 63.100 -0.460 0.000 0.771 291 P CB 0.995 32.452 31.700 -0.405 0.000 0.864 292 V N 5.084 124.678 119.914 -0.532 0.000 2.470 292 V HA 0.035 4.156 4.120 0.001 0.000 0.276 292 V C 1.039 176.810 176.094 -0.538 0.000 1.040 292 V CA -0.052 61.902 62.300 -0.576 0.000 1.008 292 V CB -0.192 31.156 31.823 -0.792 0.000 0.990 292 V HN 0.366 nan 8.190 nan 0.000 0.477 293 L N 5.435 126.310 121.223 -0.581 0.000 2.453 293 L HA 0.580 4.920 4.340 0.001 0.000 0.261 293 L C 0.795 177.440 176.870 -0.376 0.000 1.179 293 L CA -0.067 54.394 54.840 -0.631 0.000 0.813 293 L CB 1.141 42.421 42.059 -1.298 0.000 1.110 293 L HN 0.831 nan 8.230 nan 0.000 0.466 294 T N -2.699 111.708 114.554 -0.245 0.000 2.693 294 T HA 0.362 4.712 4.350 0.001 0.000 0.278 294 T C 0.988 175.695 174.700 0.012 0.000 0.994 294 T CA -0.116 61.950 62.100 -0.056 0.000 1.033 294 T CB 1.187 69.999 68.868 -0.094 0.000 1.342 294 T HN 0.596 nan 8.240 nan 0.000 0.538 295 G N -0.311 108.500 108.800 0.017 0.000 2.479 295 G HA2 -0.133 3.827 3.960 0.001 0.000 0.220 295 G HA3 -0.133 3.827 3.960 0.001 0.000 0.220 295 G C 1.455 176.275 174.900 -0.132 0.000 1.115 295 G CA 0.187 45.285 45.100 -0.004 0.000 0.757 295 G HN 0.724 nan 8.290 nan 0.000 0.560 296 R N -0.146 120.189 120.500 -0.275 0.000 2.235 296 R HA -0.001 4.340 4.340 0.001 0.000 0.213 296 R C 1.614 177.629 176.300 -0.474 0.000 1.059 296 R CA 1.044 56.840 56.100 -0.508 0.000 0.997 296 R CB -0.125 29.558 30.300 -1.027 0.000 0.884 296 R HN 0.380 nan 8.270 nan 0.000 0.462 297 N N -0.120 118.379 118.700 -0.334 0.000 2.373 297 N HA -0.007 4.733 4.740 0.001 0.000 0.181 297 N C -0.358 174.946 175.510 -0.344 0.000 1.082 297 N CA 0.003 52.852 53.050 -0.335 0.000 0.885 297 N CB 0.351 38.577 38.487 -0.435 0.000 0.977 297 N HN -0.031 nan 8.380 nan 0.000 0.462 298 L N 1.065 122.179 121.223 -0.181 0.000 2.290 298 L HA 0.378 4.719 4.340 0.001 0.000 0.284 298 L C -0.596 176.067 176.870 -0.346 0.000 1.078 298 L CA -0.078 54.669 54.840 -0.155 0.000 0.815 298 L CB 0.514 42.565 42.059 -0.014 0.000 1.162 298 L HN -0.159 nan 8.230 nan 0.000 0.435 299 K N 5.009 125.095 120.400 -0.523 0.000 2.395 299 K HA 0.628 4.948 4.320 0.001 0.000 0.245 299 K C -2.601 173.802 176.600 -0.330 0.000 1.017 299 K CA -2.015 53.915 56.287 -0.594 0.000 0.852 299 K CB 1.302 32.961 32.500 -1.401 0.000 1.311 299 K HN 0.248 nan 8.250 nan 0.000 0.452 300 P HA 0.117 nan 4.420 nan 0.000 0.268 300 P C 0.199 177.578 177.300 0.132 0.000 1.282 300 P CA 0.677 63.776 63.100 -0.001 0.000 0.880 300 P CB 0.351 32.073 31.700 0.036 0.000 0.971 301 G N 1.959 110.819 108.800 0.100 0.000 2.217 301 G HA2 -0.162 3.798 3.960 0.001 0.000 0.246 301 G HA3 -0.162 3.798 3.960 0.001 0.000 0.246 301 G C -0.311 174.780 174.900 0.318 0.000 0.990 301 G CA -0.068 45.150 45.100 0.197 0.000 0.627 301 G HN 0.569 nan 8.290 nan 0.000 0.522 302 W N -0.727 120.582 121.300 0.016 0.000 3.075 302 W HA 0.756 5.416 4.660 0.000 0.000 0.334 302 W C -1.166 175.324 176.519 -0.048 0.000 1.243 302 W CA -1.309 56.042 57.345 0.011 0.000 1.170 302 W CB 0.902 30.369 29.460 0.012 0.000 1.452 302 W HN 0.407 nan 8.180 nan 0.000 0.572 303 V N 1.893 121.781 119.914 -0.042 0.000 2.495 303 V HA 0.159 4.280 4.120 0.001 0.000 0.298 303 V C -0.778 174.993 176.094 -0.539 0.000 1.031 303 V CA -0.281 61.733 62.300 -0.476 0.000 0.871 303 V CB 1.599 33.038 31.823 -0.641 0.000 0.988 303 V HN 0.512 nan 8.190 nan 0.000 0.432 304 D N 2.629 122.666 120.400 -0.606 0.000 2.380 304 D HA 0.266 4.906 4.640 0.001 0.000 0.230 304 D C 0.051 176.106 176.300 -0.408 0.000 1.154 304 D CA -0.038 53.794 54.000 -0.279 0.000 0.859 304 D CB 0.753 41.434 40.800 -0.199 0.000 1.045 304 D HN 0.473 nan 8.370 nan 0.000 0.495 305 Y N 1.968 122.185 120.300 -0.137 0.000 2.482 305 Y HA 0.129 4.680 4.550 0.001 0.000 0.270 305 Y C 1.688 177.539 175.900 -0.081 0.000 1.152 305 Y CA -0.014 57.922 58.100 -0.273 0.000 1.292 305 Y CB 0.269 38.474 38.460 -0.424 0.000 1.070 305 Y HN 0.368 nan 8.280 nan 0.000 0.528 306 E N 0.667 120.929 120.200 0.104 0.000 2.042 306 E HA -0.040 4.310 4.350 0.001 0.000 0.189 306 E C 0.777 177.396 176.600 0.032 0.000 0.974 306 E CA 0.610 57.069 56.400 0.097 0.000 0.806 306 E CB -0.109 29.651 29.700 0.099 0.000 0.769 306 E HN -0.042 nan 8.360 nan 0.000 0.451 307 K N 2.045 122.422 120.400 -0.038 0.000 2.379 307 K HA 0.047 4.367 4.320 0.001 0.000 0.284 307 K C -0.351 176.046 176.600 -0.338 0.000 1.044 307 K CA -0.068 56.107 56.287 -0.186 0.000 0.974 307 K CB 0.210 32.573 32.500 -0.229 0.000 0.962 307 K HN -0.089 nan 8.250 nan 0.000 0.474 308 N N 3.561 122.038 118.700 -0.372 0.000 2.422 308 N HA 0.085 4.825 4.740 0.001 0.000 0.266 308 N C -0.578 174.608 175.510 -0.540 0.000 1.007 308 N CA -0.081 52.686 53.050 -0.471 0.000 0.941 308 N CB 0.589 38.708 38.487 -0.614 0.000 1.115 308 N HN 0.664 nan 8.380 nan 0.000 0.492 309 H N 0.197 119.100 119.070 -0.279 0.000 2.827 309 H HA 0.113 4.670 4.556 0.001 0.000 0.269 309 H C 1.513 176.711 175.328 -0.216 0.000 1.031 309 H CA 0.298 56.225 56.048 -0.201 0.000 1.202 309 H CB 0.733 30.397 29.762 -0.163 0.000 1.511 309 H HN 0.636 nan 8.280 nan 0.000 0.517 310 S N -0.814 114.759 115.700 -0.212 0.000 2.486 310 S HA 0.160 4.631 4.470 0.001 0.000 0.220 310 S C 1.974 176.430 174.600 -0.240 0.000 1.011 310 S CA 0.443 58.507 58.200 -0.228 0.000 0.921 310 S CB 0.149 63.155 63.200 -0.322 0.000 0.785 310 S HN 0.534 nan 8.310 nan 0.000 0.517 311 G N 0.910 109.496 108.800 -0.357 0.000 2.162 311 G HA2 -0.212 3.748 3.960 0.001 0.000 0.260 311 G HA3 -0.212 3.748 3.960 0.001 0.000 0.260 311 G C -0.146 174.623 174.900 -0.219 0.000 0.976 311 G CA 0.546 45.501 45.100 -0.241 0.000 0.655 311 G HN 0.561 nan 8.290 nan 0.000 0.533 312 L N -0.741 120.224 121.223 -0.430 0.000 2.346 312 L HA 0.779 5.119 4.340 0.001 0.000 0.274 312 L C -0.018 176.618 176.870 -0.389 0.000 1.007 312 L CA -1.227 53.475 54.840 -0.229 0.000 0.818 312 L CB 1.536 43.467 42.059 -0.214 0.000 1.284 312 L HN 0.112 nan 8.230 nan 0.000 0.424 313 W N 4.250 125.513 121.300 -0.061 0.000 3.033 313 W HA 0.724 5.385 4.660 0.001 0.000 0.336 313 W C -0.450 176.051 176.519 -0.031 0.000 1.173 313 W CA -0.655 56.652 57.345 -0.063 0.000 1.185 313 W CB 2.388 31.820 29.460 -0.046 0.000 1.425 313 W HN 0.453 nan 8.180 nan 0.000 0.536 314 M N 1.834 121.545 119.600 0.185 0.000 2.605 314 M HA 0.406 4.887 4.480 0.001 0.000 0.281 314 M C -3.098 173.226 176.300 0.039 0.000 1.166 314 M CA -1.722 53.647 55.300 0.114 0.000 0.875 314 M CB 2.653 35.317 32.600 0.106 0.000 1.732 314 M HN -0.125 nan 8.290 nan 0.000 0.504 315 P HA 0.104 nan 4.420 nan 0.000 0.271 315 P C -0.480 176.783 177.300 -0.061 0.000 1.220 315 P CA 0.157 63.249 63.100 -0.013 0.000 0.768 315 P CB 1.299 33.006 31.700 0.012 0.000 0.848 316 K N 3.319 123.638 120.400 -0.135 0.000 2.113 316 K HA -0.214 4.106 4.320 0.001 0.000 0.208 316 K C 1.750 178.303 176.600 -0.079 0.000 1.047 316 K CA 2.160 58.331 56.287 -0.192 0.000 0.928 316 K CB -0.030 32.300 32.500 -0.284 0.000 0.716 316 K HN 0.516 nan 8.250 nan 0.000 0.446 317 E N -0.021 120.155 120.200 -0.041 0.000 2.209 317 E HA -0.211 4.139 4.350 0.001 0.000 0.196 317 E C 1.476 178.081 176.600 0.009 0.000 0.993 317 E CA 1.157 57.554 56.400 -0.004 0.000 0.819 317 E CB -0.134 29.568 29.700 0.004 0.000 0.745 317 E HN 0.250 nan 8.360 nan 0.000 0.477 318 R N 0.138 120.643 120.500 0.007 0.000 2.334 318 R HA 0.308 4.648 4.340 0.001 0.000 0.216 318 R C 1.955 178.234 176.300 -0.034 0.000 0.905 318 R CA 0.449 56.561 56.100 0.019 0.000 1.064 318 R CB 0.285 30.633 30.300 0.080 0.000 1.046 318 R HN 0.227 nan 8.270 nan 0.000 0.508 319 A N 2.643 125.451 122.820 -0.020 0.000 1.933 319 A HA -0.227 4.094 4.320 0.001 0.000 0.218 319 A C 1.970 179.608 177.584 0.090 0.000 1.175 319 A CA 1.482 53.528 52.037 0.015 0.000 0.628 319 A CB -0.284 18.723 19.000 0.011 0.000 0.814 319 A HN 0.355 nan 8.150 nan 0.000 0.444 320 K N -0.042 120.394 120.400 0.060 0.000 2.442 320 K HA -0.145 4.175 4.320 0.001 0.000 0.199 320 K C 1.285 177.837 176.600 -0.080 0.000 1.044 320 K CA 1.597 57.883 56.287 -0.000 0.000 0.941 320 K CB -0.252 32.252 32.500 0.007 0.000 0.759 320 K HN 0.590 nan 8.250 nan 0.000 0.472 321 E N 0.799 120.956 120.200 -0.071 0.000 2.152 321 E HA -0.075 4.275 4.350 0.001 0.000 0.192 321 E C 1.765 178.277 176.600 -0.148 0.000 0.983 321 E CA 0.701 57.057 56.400 -0.072 0.000 0.818 321 E CB -0.013 29.703 29.700 0.027 0.000 0.758 321 E HN 0.249 nan 8.360 nan 0.000 0.467 322 L N -0.080 121.008 121.223 -0.225 0.000 2.095 322 L HA -0.004 4.336 4.340 0.001 0.000 0.204 322 L C 0.726 177.379 176.870 -0.362 0.000 1.080 322 L CA 0.941 55.603 54.840 -0.297 0.000 0.759 322 L CB 0.275 42.075 42.059 -0.431 0.000 0.914 322 L HN -0.128 nan 8.230 nan 0.000 0.439 323 R N -0.030 120.154 120.500 -0.527 0.000 2.510 323 R HA 0.110 4.451 4.340 0.001 0.000 0.287 323 R C -0.108 175.639 176.300 -0.922 0.000 1.084 323 R CA -0.276 55.202 56.100 -1.037 0.000 0.934 323 R CB 1.282 30.328 30.300 -2.090 0.000 1.201 323 R HN 0.109 nan 8.270 nan 0.000 0.431 324 D N 2.852 122.882 120.400 -0.616 0.000 2.182 324 D HA -0.197 4.443 4.640 0.001 0.000 0.201 324 D C 1.185 177.320 176.300 -0.274 0.000 0.986 324 D CA 1.449 55.254 54.000 -0.325 0.000 0.847 324 D CB -0.076 40.624 40.800 -0.168 0.000 0.942 324 D HN 0.535 nan 8.370 nan 0.000 0.467 325 F N -0.733 119.061 119.950 -0.260 0.000 2.771 325 F HA 0.116 4.644 4.527 0.001 0.000 0.299 325 F C 1.370 177.105 175.800 -0.108 0.000 1.177 325 F CA -0.398 57.456 58.000 -0.243 0.000 1.450 325 F CB -1.055 37.710 39.000 -0.391 0.000 1.114 325 F HN -0.220 nan 8.300 nan 0.000 0.587 326 Y N 1.045 121.303 120.300 -0.069 0.000 2.561 326 Y HA 0.285 4.835 4.550 0.001 0.000 0.291 326 Y C 2.386 178.384 175.900 0.162 0.000 1.141 326 Y CA -0.252 57.936 58.100 0.147 0.000 1.303 326 Y CB -1.002 37.479 38.460 0.034 0.000 1.015 326 Y HN 0.279 nan 8.280 nan 0.000 0.547 327 A N -0.416 122.541 122.820 0.228 0.000 2.016 327 A HA 0.025 4.346 4.320 0.001 0.000 0.217 327 A C 1.262 178.964 177.584 0.196 0.000 1.162 327 A CA 1.256 53.395 52.037 0.171 0.000 0.662 327 A CB -0.675 18.383 19.000 0.096 0.000 0.812 327 A HN 0.289 nan 8.150 nan 0.000 0.450 328 T N -2.798 111.901 114.554 0.242 0.000 2.887 328 T HA 0.602 4.952 4.350 0.001 0.000 0.288 328 T C -3.317 171.559 174.700 0.295 0.000 1.021 328 T CA -2.449 59.795 62.100 0.240 0.000 1.000 328 T CB 1.836 70.826 68.868 0.204 0.000 1.034 328 T HN -0.114 nan 8.240 nan 0.000 0.467 329 P HA 0.205 nan 4.420 nan 0.000 0.265 329 P C -0.389 176.710 177.300 -0.335 0.000 1.193 329 P CA 0.201 63.285 63.100 -0.027 0.000 0.765 329 P CB 0.131 31.967 31.700 0.226 0.000 0.823 330 H N 0.875 119.382 119.070 -0.938 0.000 2.981 330 H HA 0.378 4.935 4.556 0.000 0.000 0.327 330 H C -1.411 173.255 175.328 -1.103 0.000 1.342 330 H CA -1.199 54.209 56.048 -1.066 0.000 1.123 330 H CB 0.300 29.858 29.762 -0.339 0.000 1.851 330 H HN 0.174 nan 8.280 nan 0.000 0.531 331 L N 1.603 122.498 121.223 -0.546 0.000 2.410 331 L HA 0.351 4.691 4.340 0.001 0.000 0.273 331 L C -0.788 175.884 176.870 -0.330 0.000 1.152 331 L CA -0.007 54.671 54.840 -0.270 0.000 0.855 331 L CB 0.541 42.521 42.059 -0.132 0.000 1.129 331 L HN 0.458 nan 8.230 nan 0.000 0.463 332 V N 5.655 125.324 119.914 -0.408 0.000 2.656 332 V HA 0.602 4.722 4.120 0.001 0.000 0.307 332 V C -0.547 175.299 176.094 -0.413 0.000 1.051 332 V CA -0.694 61.253 62.300 -0.588 0.000 0.893 332 V CB 1.977 33.249 31.823 -0.919 0.000 0.999 332 V HN 0.541 nan 8.190 nan 0.000 0.426 333 V N 2.874 122.577 119.914 -0.350 0.000 2.735 333 V HA 0.780 4.901 4.120 0.001 0.000 0.310 333 V C 0.445 176.520 176.094 -0.031 0.000 1.061 333 V CA -0.742 61.468 62.300 -0.151 0.000 0.913 333 V CB 1.982 33.748 31.823 -0.094 0.000 1.005 333 V HN 1.047 nan 8.190 nan 0.000 0.428 334 A N 1.531 124.347 122.820 -0.006 0.000 2.425 334 A HA 0.399 4.720 4.320 0.001 0.000 0.242 334 A C 0.526 178.265 177.584 0.258 0.000 1.077 334 A CA 0.461 52.524 52.037 0.044 0.000 0.781 334 A CB -0.013 18.984 19.000 -0.004 0.000 1.020 334 A HN 1.142 nan 8.150 nan 0.000 0.494 335 H N -0.057 119.060 119.070 0.078 0.000 2.800 335 H HA 0.210 4.766 4.556 0.001 0.000 0.257 335 H C 0.089 175.580 175.328 0.272 0.000 0.967 335 H CA 1.375 57.535 56.048 0.187 0.000 1.192 335 H CB 0.767 30.492 29.762 -0.061 0.000 1.441 335 H HN 0.479 nan 8.280 nan 0.000 0.461 336 T N 1.395 115.995 114.554 0.077 0.000 3.427 336 T HA 0.312 4.663 4.350 0.001 0.000 0.306 336 T C -0.037 174.611 174.700 -0.088 0.000 1.733 336 T CA -0.458 61.611 62.100 -0.051 0.000 1.599 336 T CB 0.123 69.005 68.868 0.024 0.000 0.964 336 T HN 0.212 nan 8.240 nan 0.000 0.701 337 K N 1.436 121.785 120.400 -0.084 0.000 2.706 337 K HA 0.473 4.794 4.320 0.001 0.000 0.203 337 K C 0.889 177.436 176.600 -0.087 0.000 1.102 337 K CA -0.538 55.701 56.287 -0.081 0.000 1.058 337 K CB 1.222 33.686 32.500 -0.060 0.000 0.779 337 K HN 0.624 nan 8.250 nan 0.000 0.483 338 G N 0.739 109.464 108.800 -0.125 0.000 2.725 338 G HA2 -0.245 3.716 3.960 0.001 0.000 0.220 338 G HA3 -0.245 3.716 3.960 0.001 0.000 0.220 338 G C -0.338 174.520 174.900 -0.070 0.000 1.357 338 G CA -0.845 44.190 45.100 -0.108 0.000 0.866 338 G HN 0.068 nan 8.290 nan 0.000 0.548 339 T N 2.182 116.701 114.554 -0.057 0.000 3.185 339 T HA 0.539 4.889 4.350 0.001 0.000 0.287 339 T C 0.727 175.409 174.700 -0.030 0.000 1.051 339 T CA 0.872 62.952 62.100 -0.035 0.000 1.051 339 T CB -0.558 68.289 68.868 -0.035 0.000 1.034 339 T HN 0.821 nan 8.240 nan 0.000 0.685 340 R N -0.068 120.418 120.500 -0.024 0.000 2.762 340 R HA 0.732 5.072 4.340 0.001 0.000 0.271 340 R C -2.031 174.250 176.300 -0.032 0.000 1.038 340 R CA -1.077 55.003 56.100 -0.033 0.000 0.906 340 R CB 1.034 31.307 30.300 -0.045 0.000 1.259 340 R HN 0.090 nan 8.270 nan 0.000 0.457 341 V N 1.508 121.387 119.914 -0.059 0.000 2.349 341 V HA 0.415 4.535 4.120 0.001 0.000 0.284 341 V C -0.835 175.205 176.094 -0.089 0.000 1.014 341 V CA -0.700 61.554 62.300 -0.078 0.000 0.826 341 V CB 1.500 33.248 31.823 -0.125 0.000 1.009 341 V HN 0.500 nan 8.190 nan 0.000 0.431 342 V N 4.203 124.073 119.914 -0.073 0.000 2.407 342 V HA 0.898 5.019 4.120 0.001 0.000 0.291 342 V C 0.253 176.289 176.094 -0.098 0.000 1.018 342 V CA -0.298 61.953 62.300 -0.083 0.000 0.842 342 V CB 1.543 33.318 31.823 -0.081 0.000 0.996 342 V HN 0.955 nan 8.190 nan 0.000 0.426 343 A N 3.952 126.713 122.820 -0.099 0.000 2.469 343 A HA 1.075 5.396 4.320 0.001 0.000 0.299 343 A C -0.488 177.055 177.584 -0.067 0.000 1.098 343 A CA -0.237 51.735 52.037 -0.109 0.000 0.737 343 A CB 2.149 21.083 19.000 -0.110 0.000 1.312 343 A HN 1.699 nan 8.150 nan 0.000 0.414 344 A N 0.431 123.209 122.820 -0.070 0.000 2.594 344 A HA 0.581 4.901 4.320 0.001 0.000 0.296 344 A C -1.545 176.070 177.584 0.051 0.000 1.061 344 A CA -0.290 51.758 52.037 0.018 0.000 0.689 344 A CB 0.767 19.756 19.000 -0.018 0.000 1.280 344 A HN 1.442 nan 8.150 nan 0.000 0.406 345 W N 3.165 124.457 121.300 -0.012 0.000 2.332 345 W HA 0.361 5.021 4.660 0.000 0.000 0.306 345 W C -1.028 175.523 176.519 0.055 0.000 1.149 345 W CA 0.106 57.450 57.345 -0.000 0.000 1.271 345 W CB 1.205 30.692 29.460 0.045 0.000 1.243 345 W HN 0.802 nan 8.180 nan 0.000 0.459 346 D N 4.869 125.042 120.400 -0.378 0.000 2.416 346 D HA -0.073 4.567 4.640 0.001 0.000 0.240 346 D C 1.531 177.786 176.300 -0.075 0.000 1.250 346 D CA 0.256 54.209 54.000 -0.079 0.000 0.967 346 D CB 0.469 41.225 40.800 -0.073 0.000 1.059 346 D HN 0.605 nan 8.370 nan 0.000 0.512 347 E N 2.821 123.173 120.200 0.252 0.000 2.150 347 E HA -0.170 4.181 4.350 0.001 0.000 0.193 347 E C 1.228 177.946 176.600 0.196 0.000 0.985 347 E CA 0.573 57.172 56.400 0.332 0.000 0.814 347 E CB 0.046 29.970 29.700 0.374 0.000 0.752 347 E HN 0.362 nan 8.360 nan 0.000 0.466 348 R N 0.580 121.150 120.500 0.116 0.000 2.246 348 R HA 0.222 4.563 4.340 0.001 0.000 0.199 348 R C 0.403 176.844 176.300 0.235 0.000 0.984 348 R CA 0.531 56.663 56.100 0.052 0.000 1.015 348 R CB 0.079 30.169 30.300 -0.351 0.000 0.930 348 R HN 0.215 nan 8.270 nan 0.000 0.475 349 A N 1.029 124.025 122.820 0.294 0.000 2.165 349 A HA -0.221 4.100 4.320 0.001 0.000 0.272 349 A C -0.829 177.017 177.584 0.437 0.000 1.398 349 A CA 0.390 52.641 52.037 0.357 0.000 0.726 349 A CB -1.873 17.293 19.000 0.276 0.000 1.179 349 A HN 0.328 nan 8.150 nan 0.000 0.327 350 Y N 1.598 122.037 120.300 0.233 0.000 2.519 350 Y HA 0.668 5.218 4.550 0.001 0.000 0.324 350 Y C -1.822 174.002 175.900 -0.127 0.000 1.214 350 Y CA -1.836 56.279 58.100 0.024 0.000 1.260 350 Y CB 1.213 39.625 38.460 -0.079 0.000 1.311 350 Y HN 0.436 nan 8.280 nan 0.000 0.505 351 P HA 0.065 nan 4.420 nan 0.000 0.282 351 P C -1.423 175.562 177.300 -0.524 0.000 1.262 351 P CA -0.078 62.728 63.100 -0.490 0.000 0.773 351 P CB 0.515 32.086 31.700 -0.214 0.000 0.879 352 W N 2.847 123.715 121.300 -0.721 0.000 2.632 352 W HA 0.481 5.141 4.660 0.001 0.000 0.328 352 W C 1.528 178.028 176.519 -0.032 0.000 1.044 352 W CA -0.532 56.666 57.345 -0.245 0.000 1.225 352 W CB 2.026 31.508 29.460 0.037 0.000 1.396 352 W HN 0.342 nan 8.180 nan 0.000 0.499 353 R N 0.645 121.196 120.500 0.086 0.000 2.334 353 R HA 0.128 4.468 4.340 0.001 0.000 0.212 353 R C -0.199 176.254 176.300 0.256 0.000 0.897 353 R CA 0.776 56.955 56.100 0.133 0.000 1.056 353 R CB 0.466 30.652 30.300 -0.190 0.000 1.046 353 R HN 0.417 nan 8.270 nan 0.000 0.513 354 E N 0.303 120.663 120.200 0.266 0.000 2.459 354 E HA 0.274 4.624 4.350 0.001 0.000 0.275 354 E C -0.772 175.763 176.600 -0.108 0.000 0.987 354 E CA -0.699 55.774 56.400 0.122 0.000 0.828 354 E CB 1.199 30.988 29.700 0.148 0.000 1.428 354 E HN 0.044 nan 8.360 nan 0.000 0.457 355 E N -0.687 119.167 120.200 -0.576 0.000 9.073 355 E HA -0.179 4.171 4.350 0.001 0.000 0.486 355 E C -0.911 174.906 176.600 -1.306 0.000 1.369 355 E CA 0.421 56.323 56.400 -0.830 0.000 2.399 355 E CB -1.068 28.296 29.700 -0.561 0.000 1.019 355 E HN 0.333 nan 8.360 nan 0.000 0.265 356 F N 0.883 120.401 119.950 -0.720 0.000 2.389 356 F HA 0.306 4.833 4.527 0.001 0.000 0.337 356 F C 1.234 176.527 175.800 -0.845 0.000 1.112 356 F CA 0.277 57.958 58.000 -0.532 0.000 1.192 356 F CB 0.698 39.551 39.000 -0.245 0.000 1.185 356 F HN 0.151 nan 8.300 nan 0.000 0.552 357 H N 4.006 122.959 119.070 -0.195 0.000 2.906 357 H HA 0.333 4.890 4.556 0.001 0.000 0.324 357 H C -1.275 173.828 175.328 -0.376 0.000 0.973 357 H CA -0.769 55.069 56.048 -0.349 0.000 1.321 357 H CB 1.583 30.965 29.762 -0.633 0.000 1.535 357 H HN 0.284 nan 8.280 nan 0.000 0.518 358 L N 4.832 125.933 121.223 -0.202 0.000 2.257 358 L HA 0.290 4.630 4.340 0.001 0.000 0.290 358 L C -0.007 176.877 176.870 0.023 0.000 1.044 358 L CA -0.043 54.707 54.840 -0.149 0.000 0.810 358 L CB 0.799 42.599 42.059 -0.432 0.000 1.193 358 L HN 0.364 nan 8.230 nan 0.000 0.425 359 L N 5.932 127.237 121.223 0.136 0.000 2.298 359 L HA 0.516 4.856 4.340 0.001 0.000 0.284 359 L C -2.109 174.945 176.870 0.307 0.000 1.013 359 L CA -1.936 53.022 54.840 0.198 0.000 0.824 359 L CB 1.561 43.654 42.059 0.057 0.000 1.221 359 L HN 0.392 nan 8.230 nan 0.000 0.418 360 P HA -0.000 nan 4.420 nan 0.000 0.262 360 P C -0.756 176.416 177.300 -0.214 0.000 1.182 360 P CA 0.041 63.028 63.100 -0.190 0.000 0.761 360 P CB 0.695 32.313 31.700 -0.137 0.000 0.795 361 K N 1.828 121.954 120.400 -0.457 0.000 2.258 361 K HA 0.074 4.395 4.320 0.001 0.000 0.264 361 K C 0.609 177.002 176.600 -0.345 0.000 1.007 361 K CA -0.327 55.697 56.287 -0.439 0.000 0.941 361 K CB 0.225 32.392 32.500 -0.555 0.000 0.966 361 K HN 0.412 nan 8.250 nan 0.000 0.480 362 E N 0.550 120.653 120.200 -0.161 0.000 2.568 362 E HA -0.093 4.257 4.350 0.001 0.000 0.262 362 E C 0.751 177.165 176.600 -0.310 0.000 0.961 362 E CA 1.764 58.082 56.400 -0.136 0.000 0.945 362 E CB -0.027 29.670 29.700 -0.005 0.000 0.924 362 E HN 0.694 nan 8.360 nan 0.000 0.467 363 G N 2.591 111.248 108.800 -0.238 0.000 2.162 363 G HA2 -0.241 3.719 3.960 0.001 0.000 0.260 363 G HA3 -0.241 3.719 3.960 0.001 0.000 0.260 363 G C -0.032 174.585 174.900 -0.471 0.000 0.976 363 G CA 0.201 45.159 45.100 -0.237 0.000 0.655 363 G HN 0.535 nan 8.290 nan 0.000 0.533 364 V N 1.548 121.108 119.914 -0.590 0.000 2.383 364 V HA 0.469 4.590 4.120 0.001 0.000 0.275 364 V C 1.031 176.873 176.094 -0.419 0.000 1.036 364 V CA -0.602 61.341 62.300 -0.595 0.000 0.889 364 V CB 1.244 32.685 31.823 -0.635 0.000 0.985 364 V HN 0.381 nan 8.190 nan 0.000 0.459 365 R N 3.543 123.733 120.500 -0.515 0.000 2.500 365 R HA 0.713 5.054 4.340 0.001 0.000 0.275 365 R C -1.122 175.103 176.300 -0.124 0.000 1.051 365 R CA -0.664 55.256 56.100 -0.300 0.000 1.088 365 R CB 1.173 31.279 30.300 -0.323 0.000 1.063 365 R HN 0.402 nan 8.270 nan 0.000 0.511 366 L N 0.376 121.603 121.223 0.006 0.000 2.403 366 L HA 0.320 4.660 4.340 0.001 0.000 0.253 366 L C -1.116 175.812 176.870 0.096 0.000 1.045 366 L CA -0.330 54.565 54.840 0.091 0.000 0.845 366 L CB 2.226 44.355 42.059 0.117 0.000 1.447 366 L HN 0.549 nan 8.230 nan 0.000 0.411 367 D N 0.727 121.201 120.400 0.124 0.000 2.517 367 D HA 0.319 4.960 4.640 0.001 0.000 0.263 367 D C -2.190 174.146 176.300 0.060 0.000 1.233 367 D CA -1.476 52.573 54.000 0.082 0.000 0.849 367 D CB 1.506 42.389 40.800 0.137 0.000 1.261 367 D HN 0.091 nan 8.370 nan 0.000 0.516 368 P HA -0.248 nan 4.420 nan 0.000 0.218 368 P C 1.623 178.891 177.300 -0.052 0.000 1.165 368 P CA 2.049 65.063 63.100 -0.144 0.000 0.922 368 P CB 0.177 31.463 31.700 -0.689 0.000 0.794 369 S N -0.679 114.973 115.700 -0.079 0.000 2.370 369 S HA -0.197 4.273 4.470 0.001 0.000 0.226 369 S C 2.112 176.744 174.600 0.053 0.000 1.033 369 S CA 1.911 60.107 58.200 -0.007 0.000 1.011 369 S CB -1.751 61.441 63.200 -0.015 0.000 0.852 369 S HN 0.323 nan 8.310 nan 0.000 0.457 370 S N 2.065 117.821 115.700 0.094 0.000 2.387 370 S HA 0.125 4.595 4.470 0.001 0.000 0.226 370 S C 1.893 176.528 174.600 0.058 0.000 1.026 370 S CA 0.689 58.987 58.200 0.164 0.000 0.972 370 S CB -0.862 62.533 63.200 0.325 0.000 0.814 370 S HN 0.472 nan 8.310 nan 0.000 0.477 371 L N 1.312 122.573 121.223 0.063 0.000 2.017 371 L HA -0.064 4.276 4.340 0.001 0.000 0.208 371 L C 2.540 179.403 176.870 -0.011 0.000 1.073 371 L CA 1.412 56.243 54.840 -0.015 0.000 0.745 371 L CB -0.460 41.682 42.059 0.138 0.000 0.894 371 L HN 0.253 nan 8.230 nan 0.000 0.432 372 V N -0.223 119.710 119.914 0.031 0.000 2.295 372 V HA -0.363 3.758 4.120 0.001 0.000 0.246 372 V C 2.416 178.509 176.094 -0.001 0.000 1.049 372 V CA 2.174 64.488 62.300 0.022 0.000 1.024 372 V CB -0.587 31.281 31.823 0.075 0.000 0.648 372 V HN 0.578 nan 8.190 nan 0.000 0.447 373 Q N -0.934 118.884 119.800 0.029 0.000 2.096 373 Q HA -0.263 4.078 4.340 0.001 0.000 0.204 373 Q C 2.190 178.215 176.000 0.042 0.000 0.982 373 Q CA 2.327 58.157 55.803 0.046 0.000 0.850 373 Q CB -0.269 28.522 28.738 0.087 0.000 0.901 373 Q HN 0.835 nan 8.270 nan 0.000 0.422 374 W N 0.505 121.668 121.300 -0.228 0.000 2.381 374 W HA -0.170 4.490 4.660 0.000 0.000 0.301 374 W C 1.259 177.667 176.519 -0.185 0.000 1.205 374 W CA 0.785 57.949 57.345 -0.301 0.000 1.285 374 W CB -0.073 28.899 29.460 -0.813 0.000 1.133 374 W HN 0.197 nan 8.180 nan 0.000 0.521 375 L N 1.167 122.151 121.223 -0.398 0.000 2.131 375 L HA -0.233 4.107 4.340 0.001 0.000 0.210 375 L C 1.820 178.482 176.870 -0.346 0.000 1.092 375 L CA 1.173 55.745 54.840 -0.446 0.000 0.759 375 L CB -0.928 40.994 42.059 -0.229 0.000 0.903 375 L HN -0.016 nan 8.230 nan 0.000 0.435 376 N N -0.171 118.398 118.700 -0.218 0.000 2.398 376 N HA -0.006 4.734 4.740 0.001 0.000 0.188 376 N C 0.670 176.096 175.510 -0.141 0.000 1.122 376 N CA 0.214 53.179 53.050 -0.143 0.000 0.866 376 N CB 0.155 38.606 38.487 -0.060 0.000 0.970 376 N HN 0.279 nan 8.380 nan 0.000 0.462 377 S N 0.310 115.883 115.700 -0.212 0.000 2.579 377 S HA 0.108 4.578 4.470 0.001 0.000 0.275 377 S C 1.192 175.705 174.600 -0.147 0.000 1.345 377 S CA -0.398 57.715 58.200 -0.145 0.000 1.031 377 S CB 1.416 64.541 63.200 -0.124 0.000 0.892 377 S HN 0.139 nan 8.310 nan 0.000 0.529 378 E N 1.938 122.103 120.200 -0.059 0.000 2.118 378 E HA -0.190 4.160 4.350 0.001 0.000 0.195 378 E C 2.359 178.931 176.600 -0.048 0.000 0.992 378 E CA 1.328 57.704 56.400 -0.040 0.000 0.804 378 E CB -0.522 29.177 29.700 -0.002 0.000 0.741 378 E HN 0.858 nan 8.360 nan 0.000 0.458 379 A N 1.198 123.996 122.820 -0.036 0.000 1.908 379 A HA -0.242 4.078 4.320 0.001 0.000 0.218 379 A C 2.144 179.666 177.584 -0.102 0.000 1.181 379 A CA 1.805 53.840 52.037 -0.004 0.000 0.627 379 A CB -0.424 18.657 19.000 0.136 0.000 0.818 379 A HN 0.200 nan 8.150 nan 0.000 0.445 380 M N -0.637 118.761 119.600 -0.338 0.000 2.175 380 M HA -0.105 4.375 4.480 0.001 0.000 0.264 380 M C 1.964 178.189 176.300 -0.124 0.000 1.063 380 M CA 1.579 56.662 55.300 -0.362 0.000 1.119 380 M CB -0.482 31.715 32.600 -0.672 0.000 1.377 380 M HN 0.392 nan 8.290 nan 0.000 0.415 381 Q N 0.119 119.849 119.800 -0.117 0.000 2.079 381 Q HA -0.192 4.149 4.340 0.001 0.000 0.200 381 Q C 2.139 178.120 176.000 -0.031 0.000 0.974 381 Q CA 1.607 57.371 55.803 -0.065 0.000 0.840 381 Q CB -0.791 27.908 28.738 -0.065 0.000 0.898 381 Q HN 0.637 nan 8.270 nan 0.000 0.430 382 K N -0.054 120.338 120.400 -0.014 0.000 2.097 382 K HA -0.202 4.118 4.320 0.001 0.000 0.205 382 K C 2.021 178.630 176.600 0.015 0.000 1.050 382 K CA 1.186 57.472 56.287 -0.003 0.000 0.938 382 K CB -0.090 32.420 32.500 0.017 0.000 0.718 382 K HN 0.185 nan 8.250 nan 0.000 0.442 383 H N 0.642 119.686 119.070 -0.043 0.000 2.290 383 H HA -0.126 4.431 4.556 0.001 0.000 0.298 383 H C 1.835 177.139 175.328 -0.040 0.000 1.087 383 H CA 2.660 58.692 56.048 -0.027 0.000 1.291 383 H CB -0.235 29.522 29.762 -0.009 0.000 1.369 383 H HN 0.097 nan 8.280 nan 0.000 0.492 384 V N 0.315 120.207 119.914 -0.038 0.000 2.548 384 V HA -0.153 3.967 4.120 0.001 0.000 0.249 384 V C 2.312 178.371 176.094 -0.058 0.000 1.055 384 V CA 1.927 64.225 62.300 -0.005 0.000 1.065 384 V CB -0.778 31.125 31.823 0.134 0.000 0.681 384 V HN 0.572 nan 8.190 nan 0.000 0.462 385 R N 0.460 120.903 120.500 -0.096 0.000 2.235 385 R HA -0.006 4.335 4.340 0.001 0.000 0.213 385 R C 1.928 178.077 176.300 -0.250 0.000 1.059 385 R CA 1.498 57.507 56.100 -0.152 0.000 0.997 385 R CB -1.137 29.091 30.300 -0.120 0.000 0.884 385 R HN 0.460 nan 8.270 nan 0.000 0.462 386 T N 1.643 116.051 114.554 -0.243 0.000 2.770 386 T HA 0.076 4.427 4.350 0.001 0.000 0.258 386 T C 1.819 176.308 174.700 -0.351 0.000 1.039 386 T CA 0.998 62.948 62.100 -0.250 0.000 1.143 386 T CB -0.085 68.700 68.868 -0.139 0.000 0.866 386 T HN 0.092 nan 8.240 nan 0.000 0.428 387 L N -0.460 120.462 121.223 -0.502 0.000 2.056 387 L HA -0.068 4.272 4.340 0.001 0.000 0.207 387 L C 1.766 178.106 176.870 -0.884 0.000 1.078 387 L CA 1.475 55.857 54.840 -0.763 0.000 0.749 387 L CB -0.290 41.022 42.059 -1.246 0.000 0.901 387 L HN 0.359 nan 8.230 nan 0.000 0.433 388 Y N -2.001 118.077 120.300 -0.370 0.000 2.481 388 Y HA 0.245 4.795 4.550 0.001 0.000 0.247 388 Y C 1.332 176.554 175.900 -1.130 0.000 1.151 388 Y CA -0.980 56.725 58.100 -0.658 0.000 1.238 388 Y CB 0.001 38.277 38.460 -0.305 0.000 1.179 388 Y HN -0.021 nan 8.280 nan 0.000 0.524 389 R N 0.869 120.951 120.500 -0.697 0.000 3.707 389 R HA -0.284 4.057 4.340 0.001 0.000 0.504 389 R C -0.163 175.898 176.300 -0.398 0.000 0.241 389 R CA 2.022 57.748 56.100 -0.623 0.000 1.576 389 R CB -1.412 28.352 30.300 -0.892 0.000 0.924 389 R HN 0.440 nan 8.270 nan 0.000 0.597 390 D N -0.083 120.154 120.400 -0.272 0.000 2.696 390 D HA 0.162 4.802 4.640 0.001 0.000 0.269 390 D C 0.817 177.199 176.300 0.136 0.000 1.319 390 D CA -0.273 53.700 54.000 -0.044 0.000 0.826 390 D CB -0.130 40.685 40.800 0.026 0.000 1.086 390 D HN 0.182 nan 8.370 nan 0.000 0.481 391 F N 1.439 121.439 119.950 0.083 0.000 2.065 391 F HA -0.078 4.450 4.527 0.001 0.000 0.298 391 F C 1.515 177.343 175.800 0.047 0.000 1.112 391 F CA 0.576 58.617 58.000 0.069 0.000 1.212 391 F CB -0.849 38.180 39.000 0.048 0.000 0.975 391 F HN 0.077 nan 8.300 nan 0.000 0.476 392 V N -3.676 116.385 119.914 0.245 0.000 2.962 392 V HA 0.489 4.609 4.120 0.001 0.000 0.313 392 V C -2.425 173.704 176.094 0.059 0.000 1.099 392 V CA -1.848 60.556 62.300 0.173 0.000 0.971 392 V CB 1.994 33.960 31.823 0.239 0.000 1.028 392 V HN -0.115 nan 8.190 nan 0.000 0.430 393 P HA 0.329 nan 4.420 nan 0.000 0.243 393 P C -0.592 176.359 177.300 -0.581 0.000 1.668 393 P CA 0.484 63.407 63.100 -0.294 0.000 0.898 393 P CB -0.548 30.949 31.700 -0.338 0.000 1.637 394 H N -1.266 117.744 119.070 -0.100 0.000 2.942 394 H HA 0.539 5.095 4.556 0.001 0.000 0.316 394 H C -1.115 174.162 175.328 -0.085 0.000 1.323 394 H CA -0.902 55.036 56.048 -0.182 0.000 1.144 394 H CB 0.802 30.328 29.762 -0.393 0.000 1.866 394 H HN -0.124 nan 8.280 nan 0.000 0.545 395 L N 2.034 123.352 121.223 0.158 0.000 2.318 395 L HA 0.449 4.790 4.340 0.001 0.000 0.277 395 L C -0.028 177.036 176.870 0.325 0.000 1.008 395 L CA -0.258 54.662 54.840 0.133 0.000 0.846 395 L CB 0.511 42.658 42.059 0.147 0.000 1.220 395 L HN 0.873 nan 8.230 nan 0.000 0.423 396 T N 1.055 115.703 114.554 0.157 0.000 2.847 396 T HA 0.230 4.580 4.350 0.001 0.000 0.279 396 T C 1.140 175.877 174.700 0.063 0.000 0.984 396 T CA -0.378 61.883 62.100 0.268 0.000 0.988 396 T CB 0.882 69.818 68.868 0.113 0.000 1.040 396 T HN 0.583 nan 8.240 nan 0.000 0.528 397 L N 0.712 121.993 121.223 0.097 0.000 2.042 397 L HA -0.016 4.324 4.340 0.001 0.000 0.210 397 L C 2.715 179.520 176.870 -0.108 0.000 1.076 397 L CA 1.652 56.413 54.840 -0.132 0.000 0.749 397 L CB -0.788 41.301 42.059 0.050 0.000 0.893 397 L HN 0.589 nan 8.230 nan 0.000 0.432 398 R N -0.738 119.741 120.500 -0.034 0.000 2.120 398 R HA -0.125 4.215 4.340 0.001 0.000 0.234 398 R C 2.121 178.398 176.300 -0.040 0.000 1.123 398 R CA 1.968 58.060 56.100 -0.014 0.000 0.975 398 R CB -0.728 29.584 30.300 0.020 0.000 0.866 398 R HN 0.493 nan 8.270 nan 0.000 0.446 399 M N -0.159 119.357 119.600 -0.140 0.000 2.123 399 M HA -0.120 4.360 4.480 0.001 0.000 0.263 399 M C 2.201 178.459 176.300 -0.069 0.000 1.069 399 M CA 1.068 56.255 55.300 -0.188 0.000 1.133 399 M CB -0.407 31.912 32.600 -0.469 0.000 1.356 399 M HN 0.010 nan 8.290 nan 0.000 0.415 400 L N 1.053 122.178 121.223 -0.163 0.000 2.042 400 L HA -0.196 4.144 4.340 0.001 0.000 0.210 400 L C 2.045 178.849 176.870 -0.110 0.000 1.076 400 L CA 1.996 56.713 54.840 -0.205 0.000 0.749 400 L CB -0.658 41.098 42.059 -0.504 0.000 0.893 400 L HN 0.294 nan 8.230 nan 0.000 0.432 401 E N -0.672 119.477 120.200 -0.085 0.000 2.160 401 E HA -0.228 4.122 4.350 0.001 0.000 0.195 401 E C 2.016 178.648 176.600 0.053 0.000 0.991 401 E CA 1.243 57.638 56.400 -0.008 0.000 0.810 401 E CB -0.158 29.549 29.700 0.010 0.000 0.742 401 E HN 0.537 nan 8.360 nan 0.000 0.466 402 R N 0.449 120.995 120.500 0.077 0.000 2.310 402 R HA 0.130 4.470 4.340 0.001 0.000 0.202 402 R C 0.393 176.793 176.300 0.166 0.000 0.933 402 R CA -0.063 56.117 56.100 0.133 0.000 1.054 402 R CB 0.003 30.406 30.300 0.172 0.000 0.985 402 R HN 0.123 nan 8.270 nan 0.000 0.489 403 L N 4.260 125.567 121.223 0.140 0.000 2.499 403 L HA 0.088 4.429 4.340 0.001 0.000 0.273 403 L C -1.882 175.094 176.870 0.177 0.000 1.195 403 L CA -1.479 53.452 54.840 0.152 0.000 0.882 403 L CB 0.030 42.138 42.059 0.081 0.000 1.133 403 L HN -0.194 nan 8.230 nan 0.000 0.483 404 P HA 0.160 nan 4.420 nan 0.000 0.280 404 P C -0.968 176.539 177.300 0.344 0.000 1.244 404 P CA -0.231 63.000 63.100 0.218 0.000 0.784 404 P CB 1.646 33.434 31.700 0.147 0.000 0.913 405 V N 4.870 124.936 119.914 0.253 0.000 2.447 405 V HA 0.292 4.412 4.120 0.001 0.000 0.292 405 V C 1.034 177.226 176.094 0.163 0.000 1.021 405 V CA -0.731 61.734 62.300 0.276 0.000 0.850 405 V CB 1.245 33.261 31.823 0.322 0.000 1.005 405 V HN 0.523 nan 8.190 nan 0.000 0.426 406 R N 2.494 123.032 120.500 0.064 0.000 3.255 406 R HA 0.233 4.574 4.340 0.001 0.000 0.268 406 R C 1.328 177.576 176.300 -0.086 0.000 1.121 406 R CA 0.181 56.213 56.100 -0.114 0.000 1.133 406 R CB 0.439 30.509 30.300 -0.384 0.000 1.038 406 R HN 0.549 nan 8.270 nan 0.000 0.523 407 R N 0.640 121.021 120.500 -0.198 0.000 2.140 407 R HA -0.016 4.324 4.340 0.001 0.000 0.213 407 R C 1.234 177.385 176.300 -0.248 0.000 1.059 407 R CA 0.679 56.666 56.100 -0.190 0.000 1.000 407 R CB 0.144 30.278 30.300 -0.277 0.000 0.910 407 R HN 0.562 nan 8.270 nan 0.000 0.455 408 E N 0.039 119.983 120.200 -0.428 0.000 2.505 408 E HA -0.110 4.240 4.350 0.001 0.000 0.197 408 E C 0.109 176.472 176.600 -0.395 0.000 1.111 408 E CA 0.643 56.773 56.400 -0.451 0.000 0.887 408 E CB 0.256 29.620 29.700 -0.560 0.000 0.913 408 E HN 0.411 nan 8.360 nan 0.000 0.517 409 Y N -1.034 119.274 120.300 0.013 0.000 2.572 409 Y HA 0.354 4.904 4.550 0.001 0.000 0.274 409 Y C 1.052 177.046 175.900 0.156 0.000 1.135 409 Y CA 0.044 58.189 58.100 0.076 0.000 1.230 409 Y CB 1.174 39.674 38.460 0.067 0.000 1.293 409 Y HN -0.011 nan 8.280 nan 0.000 0.501 410 G N -0.216 108.788 108.800 0.340 0.000 2.356 410 G HA2 0.477 4.438 3.960 0.001 0.000 0.294 410 G HA3 0.477 4.438 3.960 0.001 0.000 0.294 410 G C -1.795 173.392 174.900 0.478 0.000 1.423 410 G CA -0.283 45.030 45.100 0.354 0.000 0.806 410 G HN 0.172 nan 8.290 nan 0.000 0.527 411 F N -2.626 117.326 119.950 0.004 0.000 3.031 411 F HA 0.702 5.230 4.527 0.001 0.000 0.326 411 F C -0.987 174.845 175.800 0.054 0.000 1.143 411 F CA -1.057 56.955 58.000 0.021 0.000 0.871 411 F CB 1.237 40.245 39.000 0.013 0.000 1.377 411 F HN 0.772 nan 8.300 nan 0.000 0.462 412 H N 0.494 119.487 119.070 -0.127 0.000 3.038 412 H HA 0.297 4.853 4.556 0.001 0.000 0.223 412 H C -0.283 175.015 175.328 -0.050 0.000 1.400 412 H CA -0.078 55.836 56.048 -0.222 0.000 1.153 412 H CB 0.423 30.085 29.762 -0.166 0.000 2.234 412 H HN 1.019 nan 8.280 nan 0.000 0.541 413 T N 0.000 114.671 114.554 0.195 0.000 3.816 413 T HA 0.000 4.350 4.350 0.001 0.000 0.228 413 T CA 0.000 62.191 62.100 0.151 0.000 1.349 413 T CB 0.000 69.036 68.868 0.280 0.000 0.612 413 T HN 0.000 nan 8.240 nan 0.000 0.658