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 2ibt_1_D DATA FIRST_RESID 21 DATA SEQUENCE VETPPEVVDF MVSLAEAPRG GRVLEPACAH GPFLRAFREA HGTAYRFVGV 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 0.000 176.037 176.094 -0.095 0.000 1.182 21 V CA 0.000 62.210 62.300 -0.150 0.000 1.235 21 V CB 0.000 31.662 31.823 -0.269 0.000 1.184 22 E N 1.361 121.529 120.200 -0.052 0.000 2.288 22 E HA 0.605 4.956 4.350 0.001 0.000 0.268 22 E C -0.788 175.856 176.600 0.074 0.000 0.885 22 E CA -0.530 55.881 56.400 0.018 0.000 0.767 22 E CB 2.602 32.331 29.700 0.048 0.000 1.220 22 E HN 0.697 nan 8.360 nan 0.000 0.427 23 T N 3.427 118.050 114.554 0.116 0.000 2.817 23 T HA 0.328 4.679 4.350 0.001 0.000 0.293 23 T C -2.341 172.441 174.700 0.136 0.000 0.964 23 T CA -1.294 60.947 62.100 0.235 0.000 1.085 23 T CB 0.874 69.900 68.868 0.263 0.000 0.921 23 T HN 0.125 nan 8.240 nan 0.000 0.502 24 P HA 0.121 nan 4.420 nan 0.000 0.265 24 P C -1.844 175.476 177.300 0.033 0.000 1.193 24 P CA -1.271 61.871 63.100 0.070 0.000 0.765 24 P CB 0.082 31.808 31.700 0.043 0.000 0.823 25 P HA -0.241 nan 4.420 nan 0.000 0.218 25 P C 1.129 178.432 177.300 0.004 0.000 1.154 25 P CA 1.652 64.736 63.100 -0.025 0.000 0.872 25 P CB 0.010 31.692 31.700 -0.030 0.000 0.790 26 E N -1.009 119.203 120.200 0.020 0.000 2.110 26 E HA -0.113 4.237 4.350 0.001 0.000 0.193 26 E C 1.991 178.745 176.600 0.256 0.000 0.988 26 E CA 0.856 57.278 56.400 0.038 0.000 0.804 26 E CB -1.086 28.552 29.700 -0.104 0.000 0.745 26 E HN 0.063 nan 8.360 nan 0.000 0.458 27 V N -0.038 120.042 119.914 0.277 0.000 2.323 27 V HA -0.205 3.915 4.120 0.001 0.000 0.244 27 V C 2.191 178.444 176.094 0.264 0.000 1.041 27 V CA 1.209 63.697 62.300 0.312 0.000 1.025 27 V CB -0.386 31.530 31.823 0.156 0.000 0.656 27 V HN 0.136 nan 8.190 nan 0.000 0.451 28 V N 0.411 120.388 119.914 0.105 0.000 2.287 28 V HA -0.300 3.821 4.120 0.001 0.000 0.248 28 V C 2.308 178.441 176.094 0.065 0.000 1.053 28 V CA 2.364 64.632 62.300 -0.054 0.000 1.027 28 V CB -0.766 30.835 31.823 -0.370 0.000 0.646 28 V HN 0.543 nan 8.190 nan 0.000 0.447 29 D N -0.603 119.842 120.400 0.075 0.000 2.117 29 D HA -0.171 4.469 4.640 0.001 0.000 0.197 29 D C 1.859 178.260 176.300 0.169 0.000 0.987 29 D CA 1.239 55.289 54.000 0.084 0.000 0.829 29 D CB -0.367 40.461 40.800 0.047 0.000 0.961 29 D HN 0.441 nan 8.370 nan 0.000 0.460 30 F N 1.056 121.060 119.950 0.089 0.000 2.102 30 F HA -0.133 4.394 4.527 0.001 0.000 0.298 30 F C 2.281 178.095 175.800 0.023 0.000 1.105 30 F CA 1.270 59.316 58.000 0.077 0.000 1.239 30 F CB -0.439 38.675 39.000 0.190 0.000 0.991 30 F HN -0.137 nan 8.300 nan 0.000 0.474 31 M N -0.666 118.897 119.600 -0.062 0.000 2.117 31 M HA -0.207 4.274 4.480 0.001 0.000 0.262 31 M C 2.079 178.376 176.300 -0.006 0.000 1.065 31 M CA 1.609 56.834 55.300 -0.126 0.000 1.114 31 M CB -0.625 32.091 32.600 0.194 0.000 1.361 31 M HN 0.021 nan 8.290 nan 0.000 0.408 32 V N 0.271 120.269 119.914 0.141 0.000 2.392 32 V HA -0.265 3.856 4.120 0.001 0.000 0.249 32 V C 2.547 178.757 176.094 0.194 0.000 1.059 32 V CA 2.136 64.582 62.300 0.242 0.000 1.051 32 V CB -0.994 30.950 31.823 0.201 0.000 0.658 32 V HN 0.658 nan 8.190 nan 0.000 0.455 33 S N -0.179 115.551 115.700 0.050 0.000 2.419 33 S HA -0.112 4.359 4.470 0.001 0.000 0.233 33 S C 1.799 176.355 174.600 -0.074 0.000 1.016 33 S CA 1.476 59.684 58.200 0.014 0.000 0.974 33 S CB -0.468 62.737 63.200 0.008 0.000 0.786 33 S HN 0.572 nan 8.310 nan 0.000 0.492 34 L N 0.836 121.934 121.223 -0.207 0.000 2.446 34 L HA 0.377 4.717 4.340 0.001 0.000 0.219 34 L C 1.415 178.224 176.870 -0.102 0.000 1.116 34 L CA 0.149 54.834 54.840 -0.258 0.000 0.844 34 L CB -0.463 41.283 42.059 -0.521 0.000 0.970 34 L HN 0.357 nan 8.230 nan 0.000 0.457 35 A N 1.436 124.255 122.820 -0.002 0.000 2.388 35 A HA 0.450 4.770 4.320 0.001 0.000 0.257 35 A C 0.024 177.641 177.584 0.055 0.000 1.095 35 A CA -0.160 51.919 52.037 0.071 0.000 0.791 35 A CB 0.228 19.369 19.000 0.235 0.000 1.029 35 A HN 0.365 nan 8.150 nan 0.000 0.489 36 E N 0.178 120.393 120.200 0.025 0.000 2.413 36 E HA 0.752 5.103 4.350 0.001 0.000 0.277 36 E C -1.062 175.552 176.600 0.023 0.000 0.958 36 E CA -0.919 55.488 56.400 0.010 0.000 0.779 36 E CB 1.949 31.642 29.700 -0.012 0.000 1.278 36 E HN 1.196 nan 8.360 nan 0.000 0.456 37 A N 1.593 124.471 122.820 0.096 0.000 2.589 37 A HA 0.657 4.977 4.320 0.001 0.000 0.296 37 A C -2.798 174.930 177.584 0.240 0.000 1.062 37 A CA -1.208 50.901 52.037 0.121 0.000 0.686 37 A CB 1.274 20.292 19.000 0.029 0.000 1.282 37 A HN 0.572 nan 8.150 nan 0.000 0.404 38 P HA 0.369 nan 4.420 nan 0.000 0.272 38 P C -0.357 177.027 177.300 0.139 0.000 1.230 38 P CA -0.379 62.797 63.100 0.126 0.000 0.788 38 P CB 0.401 32.138 31.700 0.062 0.000 0.949 39 R N 0.039 120.544 120.500 0.009 0.000 2.640 39 R HA 0.342 4.682 4.340 0.001 0.000 0.270 39 R C 1.023 177.239 176.300 -0.140 0.000 1.024 39 R CA 0.355 56.347 56.100 -0.180 0.000 1.085 39 R CB -1.065 29.143 30.300 -0.153 0.000 0.963 39 R HN 0.758 nan 8.270 nan 0.000 0.426 40 G N 1.478 110.135 108.800 -0.237 0.000 2.189 40 G HA2 -0.292 3.669 3.960 0.001 0.000 0.267 40 G HA3 -0.292 3.669 3.960 0.001 0.000 0.267 40 G C 0.535 175.432 174.900 -0.007 0.000 0.975 40 G CA 0.049 45.087 45.100 -0.103 0.000 0.644 40 G HN 1.081 nan 8.290 nan 0.000 0.537 41 G N -0.372 108.480 108.800 0.086 0.000 2.559 41 G HA2 0.428 4.388 3.960 0.001 0.000 0.235 41 G HA3 0.428 4.388 3.960 0.001 0.000 0.235 41 G C 0.237 175.195 174.900 0.098 0.000 1.266 41 G CA -0.247 44.931 45.100 0.130 0.000 0.847 41 G HN 0.597 nan 8.290 nan 0.000 0.583 42 R N 0.060 120.594 120.500 0.057 0.000 2.221 42 R HA 0.410 4.750 4.340 0.001 0.000 0.327 42 R C -0.752 175.677 176.300 0.215 0.000 1.033 42 R CA -0.451 55.711 56.100 0.104 0.000 0.887 42 R CB 1.630 31.899 30.300 -0.052 0.000 1.057 42 R HN 0.242 nan 8.270 nan 0.000 0.455 43 V N 5.188 125.167 119.914 0.107 0.000 2.448 43 V HA 0.383 4.504 4.120 0.001 0.000 0.295 43 V C -0.879 175.230 176.094 0.025 0.000 1.025 43 V CA -0.883 61.364 62.300 -0.087 0.000 0.859 43 V CB 1.686 33.206 31.823 -0.505 0.000 0.988 43 V HN 0.479 nan 8.190 nan 0.000 0.431 44 L N 4.031 125.186 121.223 -0.112 0.000 2.362 44 L HA 0.646 4.987 4.340 0.001 0.000 0.275 44 L C -0.399 176.373 176.870 -0.163 0.000 0.998 44 L CA -0.121 54.567 54.840 -0.253 0.000 0.820 44 L CB 1.927 43.516 42.059 -0.783 0.000 1.270 44 L HN 0.798 nan 8.230 nan 0.000 0.415 45 E N 6.401 126.528 120.200 -0.121 0.000 2.102 45 E HA 0.481 4.832 4.350 0.001 0.000 0.263 45 E C -2.543 173.912 176.600 -0.243 0.000 0.894 45 E CA -2.161 54.158 56.400 -0.135 0.000 0.746 45 E CB 1.273 30.957 29.700 -0.027 0.000 1.129 45 E HN 0.417 nan 8.360 nan 0.000 0.416 46 P HA 0.123 nan 4.420 nan 0.000 0.274 46 P C -0.702 176.390 177.300 -0.346 0.000 1.231 46 P CA 0.148 62.894 63.100 -0.591 0.000 0.790 46 P CB 1.143 32.126 31.700 -1.194 0.000 0.951 47 A N 1.215 123.914 122.820 -0.201 0.000 2.739 47 A HA -0.244 4.076 4.320 0.001 0.000 0.296 47 A C 1.422 178.906 177.584 -0.166 0.000 1.488 47 A CA 1.018 52.973 52.037 -0.137 0.000 0.746 47 A CB -2.453 16.389 19.000 -0.264 0.000 1.047 47 A HN 0.787 nan 8.150 nan 0.000 0.477 48 C N -2.884 116.330 119.300 -0.144 0.000 2.464 48 C HA 0.460 4.920 4.460 0.001 0.000 0.278 48 C C 2.351 177.274 174.990 -0.111 0.000 1.375 48 C CA 0.687 59.630 59.018 -0.125 0.000 1.761 48 C CB -1.352 26.319 27.740 -0.116 0.000 1.944 48 C HN 2.640 nan 8.230 nan 0.000 0.509 49 A N 2.415 125.191 122.820 -0.072 0.000 5.251 49 A HA -0.406 3.914 4.320 0.001 0.000 0.334 49 A C 1.364 178.948 177.584 0.000 0.000 1.764 49 A CA 2.575 54.605 52.037 -0.011 0.000 0.708 49 A CB -2.455 16.577 19.000 0.054 0.000 1.420 49 A HN 1.362 nan 8.150 nan 0.000 0.394 50 H N 0.178 119.216 119.070 -0.054 0.000 2.547 50 H HA 0.452 5.008 4.556 0.001 0.000 0.266 50 H C 1.237 176.528 175.328 -0.062 0.000 0.988 50 H CA 0.960 56.968 56.048 -0.065 0.000 1.147 50 H CB -0.536 29.190 29.762 -0.060 0.000 1.365 50 H HN 2.380 nan 8.280 nan 0.000 0.589 51 G N 1.626 110.190 108.800 -0.393 0.000 2.326 51 G HA2 -0.218 3.742 3.960 0.001 0.000 0.286 51 G HA3 -0.218 3.742 3.960 0.001 0.000 0.286 51 G C -1.262 173.486 174.900 -0.252 0.000 1.096 51 G CA 0.052 45.009 45.100 -0.238 0.000 1.003 51 G HN 0.488 nan 8.290 nan 0.000 0.503 52 P HA -0.068 nan 4.420 nan 0.000 0.218 52 P C 1.540 178.735 177.300 -0.174 0.000 1.149 52 P CA 0.858 63.776 63.100 -0.304 0.000 0.817 52 P CB -0.019 31.464 31.700 -0.362 0.000 0.785 53 F N -0.295 119.631 119.950 -0.040 0.000 2.234 53 F HA -0.005 4.523 4.527 0.001 0.000 0.296 53 F C 2.601 178.497 175.800 0.161 0.000 1.089 53 F CA 0.848 58.884 58.000 0.060 0.000 1.343 53 F CB -1.089 37.931 39.000 0.034 0.000 1.040 53 F HN -0.272 nan 8.300 nan 0.000 0.498 54 L N -0.333 121.085 121.223 0.326 0.000 2.017 54 L HA -0.214 4.127 4.340 0.001 0.000 0.208 54 L C 2.528 179.610 176.870 0.352 0.000 1.073 54 L CA 1.428 56.513 54.840 0.407 0.000 0.745 54 L CB -0.648 41.631 42.059 0.366 0.000 0.894 54 L HN 0.049 nan 8.230 nan 0.000 0.432 55 R N 0.082 120.748 120.500 0.276 0.000 2.070 55 R HA -0.150 4.190 4.340 0.001 0.000 0.233 55 R C 2.458 178.826 176.300 0.113 0.000 1.137 55 R CA 1.489 57.733 56.100 0.241 0.000 0.945 55 R CB -0.630 29.767 30.300 0.161 0.000 0.845 55 R HN 0.352 nan 8.270 nan 0.000 0.430 56 A N 0.563 123.435 122.820 0.085 0.000 1.933 56 A HA -0.182 4.138 4.320 0.001 0.000 0.218 56 A C 1.991 179.626 177.584 0.085 0.000 1.175 56 A CA 1.097 53.156 52.037 0.036 0.000 0.628 56 A CB -0.592 18.390 19.000 -0.030 0.000 0.814 56 A HN 0.362 nan 8.150 nan 0.000 0.444 57 F N 0.167 120.182 119.950 0.110 0.000 2.113 57 F HA -0.092 4.435 4.527 0.001 0.000 0.297 57 F C 2.383 178.280 175.800 0.162 0.000 1.103 57 F CA 1.903 60.025 58.000 0.204 0.000 1.248 57 F CB -0.169 39.010 39.000 0.298 0.000 0.999 57 F HN 0.163 nan 8.300 nan 0.000 0.475 58 R N 0.313 120.939 120.500 0.210 0.000 2.096 58 R HA -0.210 4.131 4.340 0.001 0.000 0.235 58 R C 2.316 178.533 176.300 -0.138 0.000 1.127 58 R CA 1.839 57.910 56.100 -0.048 0.000 0.968 58 R CB -0.404 29.469 30.300 -0.712 0.000 0.861 58 R HN 0.451 nan 8.270 nan 0.000 0.440 59 E N -0.460 119.656 120.200 -0.140 0.000 2.077 59 E HA -0.187 4.163 4.350 0.001 0.000 0.193 59 E C 1.662 178.143 176.600 -0.199 0.000 0.989 59 E CA 1.360 57.676 56.400 -0.141 0.000 0.800 59 E CB -0.060 29.581 29.700 -0.098 0.000 0.746 59 E HN 0.461 nan 8.360 nan 0.000 0.452 60 A N -0.186 122.440 122.820 -0.324 0.000 1.930 60 A HA -0.093 4.228 4.320 0.001 0.000 0.215 60 A C 1.556 178.746 177.584 -0.657 0.000 1.176 60 A CA 1.236 52.940 52.037 -0.556 0.000 0.632 60 A CB -0.227 18.288 19.000 -0.808 0.000 0.819 60 A HN 0.359 nan 8.150 nan 0.000 0.445 61 H N -1.738 117.150 119.070 -0.302 0.000 2.986 61 H HA 0.366 4.922 4.556 0.001 0.000 0.267 61 H C 1.184 176.547 175.328 0.058 0.000 1.072 61 H CA 0.568 56.471 56.048 -0.242 0.000 1.202 61 H CB 0.458 29.796 29.762 -0.706 0.000 1.535 61 H HN 0.652 nan 8.280 nan 0.000 0.522 62 G N 0.802 109.683 108.800 0.135 0.000 2.610 62 G HA2 -0.290 3.670 3.960 0.001 0.000 0.304 62 G HA3 -0.290 3.670 3.960 0.001 0.000 0.304 62 G C 0.901 175.988 174.900 0.312 0.000 1.309 62 G CA 0.126 45.319 45.100 0.154 0.000 0.906 62 G HN 0.269 nan 8.290 nan 0.000 0.521 63 T N -2.283 112.372 114.554 0.168 0.000 3.060 63 T HA 0.551 4.901 4.350 0.001 0.000 0.249 63 T C 1.633 176.448 174.700 0.191 0.000 1.079 63 T CA 1.441 63.652 62.100 0.184 0.000 1.013 63 T CB 0.431 69.303 68.868 0.007 0.000 0.975 63 T HN 2.108 nan 8.240 nan 0.000 0.518 64 A N 1.129 123.917 122.820 -0.054 0.000 2.958 64 A HA 0.563 4.883 4.320 0.001 0.000 0.247 64 A C -0.800 176.366 177.584 -0.696 0.000 1.679 64 A CA -0.521 51.326 52.037 -0.317 0.000 1.345 64 A CB -1.170 17.621 19.000 -0.349 0.000 1.013 64 A HN 0.641 nan 8.150 nan 0.000 0.641 65 Y N -1.875 118.442 120.300 0.028 0.000 2.625 65 Y HA 0.508 5.058 4.550 0.001 0.000 0.338 65 Y C 0.186 175.960 175.900 -0.211 0.000 1.123 65 Y CA -1.140 56.841 58.100 -0.198 0.000 1.046 65 Y CB 1.337 39.479 38.460 -0.529 0.000 1.299 65 Y HN 0.294 nan 8.280 nan 0.000 0.464 66 R N 1.664 122.149 120.500 -0.024 0.000 2.221 66 R HA 0.491 4.831 4.340 0.001 0.000 0.327 66 R C -1.933 174.356 176.300 -0.020 0.000 1.033 66 R CA -0.286 55.857 56.100 0.070 0.000 0.887 66 R CB 0.236 30.602 30.300 0.110 0.000 1.057 66 R HN 0.575 nan 8.270 nan 0.000 0.455 67 F N 3.934 124.085 119.950 0.336 0.000 2.427 67 F HA 0.398 4.926 4.527 0.001 0.000 0.346 67 F C -0.188 175.775 175.800 0.271 0.000 1.120 67 F CA -0.683 57.519 58.000 0.337 0.000 1.033 67 F CB 1.941 41.256 39.000 0.526 0.000 1.126 67 F HN 0.073 nan 8.300 nan 0.000 0.462 68 V N 2.136 122.267 119.914 0.362 0.000 2.709 68 V HA 0.842 4.962 4.120 0.001 0.000 0.308 68 V C -0.099 176.047 176.094 0.087 0.000 1.062 68 V CA -0.850 61.597 62.300 0.244 0.000 0.901 68 V CB 1.924 33.961 31.823 0.356 0.000 1.003 68 V HN 0.888 nan 8.190 nan 0.000 0.425 69 G N 2.292 111.095 108.800 0.005 0.000 2.542 69 G HA2 0.677 4.638 3.960 0.001 0.000 0.311 69 G HA3 0.677 4.638 3.960 0.001 0.000 0.311 69 G C -1.551 173.235 174.900 -0.190 0.000 1.298 69 G CA -0.593 44.450 45.100 -0.094 0.000 0.973 69 G HN 0.555 nan 8.290 nan 0.000 0.487 70 V N 1.315 121.067 119.914 -0.271 0.000 2.487 70 V HA 0.662 4.783 4.120 0.001 0.000 0.298 70 V C -0.566 175.414 176.094 -0.191 0.000 1.028 70 V CA -0.651 61.445 62.300 -0.341 0.000 0.860 70 V CB 1.525 33.010 31.823 -0.563 0.000 0.991 70 V HN 0.901 nan 8.190 nan 0.000 0.427 71 E N 3.314 123.434 120.200 -0.133 0.000 2.308 71 E HA 0.456 4.806 4.350 0.001 0.000 0.275 71 E C -0.185 176.401 176.600 -0.023 0.000 0.890 71 E CA -0.545 55.818 56.400 -0.061 0.000 0.754 71 E CB 2.062 31.725 29.700 -0.061 0.000 1.207 71 E HN 0.494 nan 8.360 nan 0.000 0.426 72 I N 1.600 122.183 120.570 0.022 0.000 2.852 72 I HA 0.118 4.288 4.170 0.001 0.000 0.264 72 I C -0.048 176.088 176.117 0.032 0.000 1.179 72 I CA 0.432 61.760 61.300 0.047 0.000 1.480 72 I CB 0.494 38.553 38.000 0.097 0.000 1.111 72 I HN 0.473 nan 8.210 nan 0.000 0.441 73 D N 0.668 121.077 120.400 0.016 0.000 2.329 73 D HA 0.178 4.818 4.640 0.001 0.000 0.232 73 D C -1.778 174.523 176.300 0.002 0.000 1.088 73 D CA -2.526 51.481 54.000 0.011 0.000 0.835 73 D CB 1.706 42.508 40.800 0.003 0.000 1.078 73 D HN -0.032 nan 8.370 nan 0.000 0.495 74 P HA -0.119 nan 4.420 nan 0.000 0.218 74 P C 0.847 178.145 177.300 -0.003 0.000 1.148 74 P CA 1.191 64.292 63.100 0.002 0.000 0.822 74 P CB 0.310 32.014 31.700 0.007 0.000 0.784 75 K N -0.684 119.714 120.400 -0.003 0.000 2.283 75 K HA 0.040 4.361 4.320 0.001 0.000 0.202 75 K C 1.980 178.574 176.600 -0.010 0.000 1.048 75 K CA 1.292 57.575 56.287 -0.007 0.000 0.948 75 K CB -0.302 32.194 32.500 -0.007 0.000 0.742 75 K HN 0.097 nan 8.250 nan 0.000 0.458 76 A N 1.102 123.917 122.820 -0.008 0.000 1.997 76 A HA 0.053 4.373 4.320 0.001 0.000 0.212 76 A C 0.831 178.415 177.584 -0.000 0.000 1.178 76 A CA -0.187 51.847 52.037 -0.004 0.000 0.698 76 A CB -0.003 18.992 19.000 -0.009 0.000 0.842 76 A HN 0.192 nan 8.150 nan 0.000 0.458 77 L N 1.324 122.540 121.223 -0.013 0.000 2.562 77 L HA 0.337 4.677 4.340 0.001 0.000 0.271 77 L C -0.982 175.875 176.870 -0.022 0.000 1.167 77 L CA 0.613 55.438 54.840 -0.024 0.000 0.917 77 L CB 0.121 42.160 42.059 -0.033 0.000 1.187 77 L HN 0.210 nan 8.230 nan 0.000 0.482 78 D N 4.576 124.963 120.400 -0.021 0.000 2.934 78 D HA 0.229 4.870 4.640 0.001 0.000 0.249 78 D C -1.021 175.244 176.300 -0.057 0.000 1.293 78 D CA -0.224 53.759 54.000 -0.028 0.000 0.812 78 D CB 0.071 40.868 40.800 -0.005 0.000 1.439 78 D HN 0.434 nan 8.370 nan 0.000 0.555 79 L N 1.305 122.459 121.223 -0.116 0.000 2.421 79 L HA 0.587 4.928 4.340 0.001 0.000 0.263 79 L C -1.590 175.087 176.870 -0.322 0.000 1.122 79 L CA -1.717 52.990 54.840 -0.221 0.000 0.804 79 L CB 0.590 42.518 42.059 -0.220 0.000 1.150 79 L HN 0.119 nan 8.230 nan 0.000 0.457 80 P HA 0.069 nan 4.420 nan 0.000 0.270 80 P C -2.006 174.914 177.300 -0.634 0.000 1.223 80 P CA -0.995 61.666 63.100 -0.732 0.000 0.785 80 P CB -0.036 30.763 31.700 -1.501 0.000 0.923 81 P HA -0.140 nan 4.420 nan 0.000 0.223 81 P C 0.912 178.183 177.300 -0.048 0.000 1.144 81 P CA 1.506 64.517 63.100 -0.149 0.000 0.783 81 P CB -0.253 31.429 31.700 -0.031 0.000 0.771 82 W N -0.389 120.936 121.300 0.043 0.000 3.180 82 W HA 0.539 5.200 4.660 0.001 0.000 0.254 82 W C -0.047 176.550 176.519 0.130 0.000 1.318 82 W CA -0.332 57.059 57.345 0.076 0.000 1.608 82 W CB -0.513 28.976 29.460 0.048 0.000 1.124 82 W HN -0.123 nan 8.180 nan 0.000 0.694 83 A N 1.536 124.360 122.820 0.007 0.000 2.337 83 A HA 0.386 4.706 4.320 0.001 0.000 0.331 83 A C -0.597 177.043 177.584 0.092 0.000 1.137 83 A CA -0.693 51.432 52.037 0.146 0.000 0.807 83 A CB 1.346 20.301 19.000 -0.076 0.000 1.250 83 A HN 0.204 nan 8.150 nan 0.000 0.468 84 E N 1.377 121.679 120.200 0.171 0.000 2.152 84 E HA 0.422 4.772 4.350 0.001 0.000 0.285 84 E C 0.089 176.731 176.600 0.070 0.000 1.043 84 E CA -0.266 56.210 56.400 0.127 0.000 0.839 84 E CB 0.753 30.563 29.700 0.183 0.000 1.069 84 E HN 0.731 nan 8.360 nan 0.000 0.399 85 G N 4.912 113.724 108.800 0.021 0.000 2.335 85 G HA2 0.500 4.461 3.960 0.001 0.000 0.316 85 G HA3 0.500 4.461 3.960 0.001 0.000 0.316 85 G C -0.573 174.314 174.900 -0.022 0.000 1.129 85 G CA -0.530 44.556 45.100 -0.023 0.000 0.899 85 G HN 0.525 nan 8.290 nan 0.000 0.448 86 I N 1.930 122.452 120.570 -0.080 0.000 2.406 86 I HA 0.223 4.394 4.170 0.001 0.000 0.290 86 I C -0.710 175.329 176.117 -0.130 0.000 0.999 86 I CA -0.852 60.385 61.300 -0.105 0.000 1.124 86 I CB 2.280 40.151 38.000 -0.217 0.000 1.289 86 I HN 0.174 nan 8.210 nan 0.000 0.441 87 L N 6.912 128.098 121.223 -0.061 0.000 2.270 87 L HA 0.783 5.124 4.340 0.001 0.000 0.286 87 L C -0.079 176.776 176.870 -0.025 0.000 1.059 87 L CA 0.122 54.940 54.840 -0.037 0.000 0.839 87 L CB -0.005 42.053 42.059 -0.002 0.000 1.221 87 L HN 0.780 nan 8.230 nan 0.000 0.431 88 A N 3.130 125.924 122.820 -0.044 0.000 2.586 88 A HA 0.432 4.752 4.320 0.001 0.000 0.291 88 A C -1.451 176.166 177.584 0.055 0.000 1.062 88 A CA -0.785 51.257 52.037 0.009 0.000 0.666 88 A CB 0.823 19.805 19.000 -0.031 0.000 1.281 88 A HN 0.406 nan 8.150 nan 0.000 0.421 89 D N 0.842 121.321 120.400 0.132 0.000 2.338 89 D HA 0.183 4.824 4.640 0.001 0.000 0.255 89 D C 0.813 177.239 176.300 0.210 0.000 1.237 89 D CA -0.234 53.883 54.000 0.196 0.000 0.883 89 D CB 0.142 41.085 40.800 0.239 0.000 1.087 89 D HN 0.420 nan 8.370 nan 0.000 0.485 90 F N 4.394 124.349 119.950 0.009 0.000 2.154 90 F HA -0.179 4.349 4.527 0.001 0.000 0.301 90 F C 1.609 177.411 175.800 0.003 0.000 1.087 90 F CA 1.323 59.293 58.000 -0.050 0.000 1.274 90 F CB -0.044 38.809 39.000 -0.245 0.000 1.009 90 F HN 0.464 nan 8.300 nan 0.000 0.485 91 L N -0.338 120.804 121.223 -0.136 0.000 2.362 91 L HA -0.134 4.206 4.340 0.001 0.000 0.219 91 L C 1.594 178.508 176.870 0.074 0.000 1.134 91 L CA 0.713 55.498 54.840 -0.091 0.000 0.807 91 L CB -0.411 41.575 42.059 -0.121 0.000 0.927 91 L HN 0.235 nan 8.230 nan 0.000 0.447 92 L N -2.534 118.759 121.223 0.117 0.000 2.858 92 L HA 0.134 4.475 4.340 0.001 0.000 0.251 92 L C 0.157 177.095 176.870 0.114 0.000 1.149 92 L CA -0.552 54.351 54.840 0.104 0.000 0.955 92 L CB 0.193 42.349 42.059 0.163 0.000 1.289 92 L HN 0.211 nan 8.230 nan 0.000 0.542 93 W N 2.668 123.909 121.300 -0.098 0.000 2.238 93 W HA 0.223 4.883 4.660 0.001 0.000 0.321 93 W C 0.083 176.563 176.519 -0.065 0.000 1.293 93 W CA -0.108 57.203 57.345 -0.057 0.000 1.204 93 W CB 0.756 30.200 29.460 -0.028 0.000 1.167 93 W HN -0.111 nan 8.180 nan 0.000 0.553 94 E N 7.645 127.553 120.200 -0.486 0.000 2.255 94 E HA 0.136 4.487 4.350 0.001 0.000 0.245 94 E C -1.457 174.664 176.600 -0.798 0.000 0.909 94 E CA -1.583 54.482 56.400 -0.559 0.000 0.747 94 E CB 1.175 30.722 29.700 -0.255 0.000 1.215 94 E HN 0.412 nan 8.360 nan 0.000 0.424 95 P HA -0.022 nan 4.420 nan 0.000 0.222 95 P C 0.961 178.079 177.300 -0.303 0.000 1.153 95 P CA 1.216 63.857 63.100 -0.764 0.000 0.798 95 P CB 0.633 31.895 31.700 -0.729 0.000 0.796 96 G N 0.037 108.675 108.800 -0.269 0.000 2.363 96 G HA2 -0.272 3.688 3.960 0.001 0.000 0.238 96 G HA3 -0.272 3.688 3.960 0.001 0.000 0.238 96 G C 0.087 174.897 174.900 -0.150 0.000 1.062 96 G CA 0.304 45.306 45.100 -0.164 0.000 0.629 96 G HN 0.596 nan 8.290 nan 0.000 0.514 97 E N 0.562 120.647 120.200 -0.192 0.000 2.248 97 E HA 0.687 5.038 4.350 0.001 0.000 0.267 97 E C 0.489 176.886 176.600 -0.339 0.000 0.877 97 E CA -0.214 56.051 56.400 -0.225 0.000 0.759 97 E CB 1.506 31.073 29.700 -0.223 0.000 1.182 97 E HN 0.760 nan 8.360 nan 0.000 0.418 98 A N 3.115 125.791 122.820 -0.240 0.000 2.310 98 A HA 0.486 4.806 4.320 0.001 0.000 0.260 98 A C -0.849 176.519 177.584 -0.360 0.000 1.112 98 A CA -0.064 51.883 52.037 -0.150 0.000 0.804 98 A CB 0.219 19.208 19.000 -0.018 0.000 1.081 98 A HN 0.536 nan 8.150 nan 0.000 0.499 99 F N -1.049 118.925 119.950 0.040 0.000 2.538 99 F HA 0.323 4.850 4.527 0.001 0.000 0.325 99 F C 1.068 176.881 175.800 0.021 0.000 1.066 99 F CA -0.545 57.481 58.000 0.044 0.000 0.946 99 F CB 1.805 40.854 39.000 0.081 0.000 1.199 99 F HN 0.659 nan 8.300 nan 0.000 0.473 100 D N 0.768 121.266 120.400 0.162 0.000 2.213 100 D HA 0.020 4.660 4.640 0.001 0.000 0.205 100 D C -0.110 176.227 176.300 0.061 0.000 0.961 100 D CA 1.284 55.334 54.000 0.083 0.000 0.853 100 D CB 0.589 41.419 40.800 0.051 0.000 0.967 100 D HN 0.148 nan 8.370 nan 0.000 0.496 101 L N 0.666 121.923 121.223 0.058 0.000 2.464 101 L HA 0.431 4.771 4.340 0.001 0.000 0.266 101 L C -1.751 175.088 176.870 -0.053 0.000 0.965 101 L CA -0.519 54.288 54.840 -0.055 0.000 0.833 101 L CB 2.286 44.204 42.059 -0.236 0.000 1.296 101 L HN -0.222 nan 8.230 nan 0.000 0.405 102 I N 6.335 126.861 120.570 -0.072 0.000 2.466 102 I HA 0.595 4.765 4.170 0.001 0.000 0.289 102 I C -0.912 175.153 176.117 -0.086 0.000 1.026 102 I CA -0.694 60.552 61.300 -0.089 0.000 1.078 102 I CB 1.876 39.838 38.000 -0.065 0.000 1.249 102 I HN 0.678 nan 8.210 nan 0.000 0.429 103 L N 3.915 125.111 121.223 -0.045 0.000 2.424 103 L HA 1.118 5.458 4.340 0.001 0.000 0.258 103 L C -0.398 176.305 176.870 -0.278 0.000 0.995 103 L CA -0.292 54.514 54.840 -0.058 0.000 0.821 103 L CB 2.392 44.400 42.059 -0.085 0.000 1.383 103 L HN 0.748 nan 8.230 nan 0.000 0.410 104 G N 1.516 109.926 108.800 -0.649 0.000 2.332 104 G HA2 0.018 3.978 3.960 0.001 0.000 0.265 104 G HA3 0.018 3.978 3.960 0.001 0.000 0.265 104 G C -2.099 172.186 174.900 -1.024 0.000 1.329 104 G CA -0.361 43.881 45.100 -1.429 0.000 0.949 104 G HN 1.047 nan 8.290 nan 0.000 0.476 105 N N 1.623 119.854 118.700 -0.781 0.000 2.576 105 N HA 0.568 5.308 4.740 0.001 0.000 0.269 105 N C -2.520 172.594 175.510 -0.659 0.000 1.058 105 N CA -1.394 51.357 53.050 -0.500 0.000 0.860 105 N CB 2.243 40.643 38.487 -0.145 0.000 1.249 105 N HN 0.415 nan 8.380 nan 0.000 0.525 106 P HA 0.236 nan 4.420 nan 0.000 0.272 106 P C -2.816 174.011 177.300 -0.788 0.000 1.240 106 P CA -1.066 61.427 63.100 -1.012 0.000 0.791 106 P CB 0.160 31.277 31.700 -0.972 0.000 0.978 107 P HA 0.115 nan 4.420 nan 0.000 0.272 107 P C -1.054 176.121 177.300 -0.209 0.000 1.223 107 P CA 0.381 63.142 63.100 -0.566 0.000 0.784 107 P CB 0.159 31.602 31.700 -0.428 0.000 0.923 108 Y N 0.268 120.430 120.300 -0.229 0.000 2.409 108 Y HA 0.737 5.288 4.550 0.001 0.000 0.339 108 Y C 1.091 176.967 175.900 -0.041 0.000 1.033 108 Y CA -1.157 56.893 58.100 -0.083 0.000 1.094 108 Y CB 1.769 40.166 38.460 -0.104 0.000 1.210 108 Y HN 0.794 nan 8.280 nan 0.000 0.456 109 G N 1.631 110.539 108.800 0.181 0.000 2.352 109 G HA2 0.247 4.207 3.960 0.001 0.000 0.303 109 G HA3 0.247 4.207 3.960 0.001 0.000 0.303 109 G C -1.826 173.111 174.900 0.061 0.000 1.593 109 G CA -1.179 43.987 45.100 0.111 0.000 0.963 109 G HN 0.514 nan 8.290 nan 0.000 0.685 110 I N 0.899 121.513 120.570 0.073 0.000 2.441 110 I HA 0.268 4.438 4.170 0.001 0.000 0.287 110 I C 0.748 176.895 176.117 0.050 0.000 1.049 110 I CA -0.799 60.498 61.300 -0.006 0.000 1.381 110 I CB 1.562 39.503 38.000 -0.097 0.000 1.409 110 I HN 0.236 nan 8.210 nan 0.000 0.523 111 V N 6.489 126.459 119.914 0.094 0.000 2.439 111 V HA 0.579 4.699 4.120 0.001 0.000 0.271 111 V C 0.737 176.895 176.094 0.108 0.000 1.040 111 V CA 0.241 62.653 62.300 0.186 0.000 1.002 111 V CB -0.060 31.984 31.823 0.368 0.000 1.000 111 V HN 1.047 nan 8.190 nan 0.000 0.477 112 G N 3.678 112.598 108.800 0.199 0.000 2.428 112 G HA2 0.357 4.317 3.960 0.001 0.000 0.304 112 G HA3 0.357 4.317 3.960 0.001 0.000 0.304 112 G C -1.032 174.100 174.900 0.385 0.000 1.303 112 G CA -0.767 44.478 45.100 0.242 0.000 0.825 112 G HN 0.594 nan 8.290 nan 0.000 0.484 113 E N 0.106 120.525 120.200 0.364 0.000 2.465 113 E HA 0.355 4.706 4.350 0.001 0.000 0.260 113 E C 1.570 178.274 176.600 0.174 0.000 0.980 113 E CA 0.415 56.944 56.400 0.214 0.000 0.927 113 E CB 1.088 30.886 29.700 0.163 0.000 0.934 113 E HN 0.693 nan 8.360 nan 0.000 0.459 114 A N 3.495 126.293 122.820 -0.036 0.000 2.076 114 A HA -0.197 4.123 4.320 0.001 0.000 0.220 114 A C 2.074 179.630 177.584 -0.048 0.000 1.160 114 A CA 1.749 53.661 52.037 -0.209 0.000 0.653 114 A CB -0.583 18.011 19.000 -0.677 0.000 0.801 114 A HN 0.720 nan 8.150 nan 0.000 0.455 115 S N -1.364 114.312 115.700 -0.041 0.000 2.474 115 S HA -0.070 4.400 4.470 0.001 0.000 0.235 115 S C 1.546 176.098 174.600 -0.079 0.000 0.997 115 S CA 1.630 59.804 58.200 -0.043 0.000 0.949 115 S CB 0.003 63.185 63.200 -0.031 0.000 0.766 115 S HN 0.481 nan 8.310 nan 0.000 0.517 116 K N -0.768 119.551 120.400 -0.135 0.000 2.550 116 K HA 0.398 4.719 4.320 0.001 0.000 0.205 116 K C -0.802 175.475 176.600 -0.539 0.000 1.429 116 K CA -0.000 56.040 56.287 -0.411 0.000 0.997 116 K CB 0.561 32.661 32.500 -0.667 0.000 1.328 116 K HN 0.472 nan 8.250 nan 0.000 0.546 117 Y N 0.113 120.496 120.300 0.139 0.000 2.536 117 Y HA 0.346 4.896 4.550 0.001 0.000 0.347 117 Y C -1.873 174.150 175.900 0.207 0.000 1.000 117 Y CA -2.296 55.893 58.100 0.148 0.000 1.051 117 Y CB 2.090 40.635 38.460 0.141 0.000 1.259 117 Y HN -0.120 nan 8.280 nan 0.000 0.468 118 P HA 0.051 nan 4.420 nan 0.000 0.239 118 P C -0.123 176.920 177.300 -0.429 0.000 1.188 118 P CA 1.010 64.120 63.100 0.017 0.000 0.794 118 P CB 1.095 32.810 31.700 0.026 0.000 0.937 119 I N 1.659 122.101 120.570 -0.214 0.000 2.312 119 I HA 0.230 4.401 4.170 0.001 0.000 0.290 119 I C 0.023 176.067 176.117 -0.121 0.000 1.008 119 I CA -1.161 60.002 61.300 -0.229 0.000 1.226 119 I CB -0.103 37.908 38.000 0.018 0.000 1.371 119 I HN 0.007 nan 8.210 nan 0.000 0.468 120 H N 5.339 124.453 119.070 0.074 0.000 2.638 120 H HA 0.665 5.221 4.556 0.001 0.000 0.317 120 H C -0.098 175.208 175.328 -0.035 0.000 1.006 120 H CA -0.863 55.200 56.048 0.025 0.000 1.222 120 H CB 1.893 31.653 29.762 -0.004 0.000 1.419 120 H HN 0.455 nan 8.280 nan 0.000 0.489 121 V N -0.088 119.859 119.914 0.054 0.000 3.130 121 V HA 0.536 4.656 4.120 0.001 0.000 0.310 121 V C -0.412 175.619 176.094 -0.106 0.000 1.158 121 V CA -1.361 60.893 62.300 -0.076 0.000 1.029 121 V CB 1.353 33.171 31.823 -0.008 0.000 1.057 121 V HN 0.509 nan 8.190 nan 0.000 0.436 122 F N 0.974 120.928 119.950 0.006 0.000 2.553 122 F HA 0.295 4.823 4.527 0.001 0.000 0.356 122 F C 1.940 177.713 175.800 -0.045 0.000 1.142 122 F CA 0.495 58.487 58.000 -0.014 0.000 1.322 122 F CB 0.642 39.625 39.000 -0.029 0.000 1.126 122 F HN 0.776 nan 8.300 nan 0.000 0.599 123 K N 1.995 122.504 120.400 0.181 0.000 2.113 123 K HA -0.250 4.070 4.320 0.001 0.000 0.208 123 K C 2.016 178.614 176.600 -0.004 0.000 1.047 123 K CA 1.467 57.791 56.287 0.061 0.000 0.928 123 K CB -0.270 32.260 32.500 0.050 0.000 0.716 123 K HN 0.796 nan 8.250 nan 0.000 0.446 124 A N 0.481 123.309 122.820 0.015 0.000 1.933 124 A HA -0.107 4.213 4.320 0.001 0.000 0.218 124 A C 2.191 179.710 177.584 -0.107 0.000 1.175 124 A CA 1.580 53.585 52.037 -0.053 0.000 0.628 124 A CB -0.447 18.514 19.000 -0.066 0.000 0.814 124 A HN 0.181 nan 8.150 nan 0.000 0.444 125 V N 0.051 119.908 119.914 -0.096 0.000 2.307 125 V HA -0.236 3.884 4.120 0.001 0.000 0.245 125 V C 2.492 178.256 176.094 -0.550 0.000 1.045 125 V CA 2.245 64.371 62.300 -0.289 0.000 1.024 125 V CB -0.630 31.057 31.823 -0.227 0.000 0.651 125 V HN 0.651 nan 8.190 nan 0.000 0.449 126 K N -0.064 120.123 120.400 -0.355 0.000 2.103 126 K HA -0.252 4.069 4.320 0.001 0.000 0.207 126 K C 1.835 178.225 176.600 -0.350 0.000 1.048 126 K CA 1.949 58.041 56.287 -0.326 0.000 0.930 126 K CB -0.227 32.209 32.500 -0.107 0.000 0.716 126 K HN 0.452 nan 8.250 nan 0.000 0.444 127 D N 0.860 121.108 120.400 -0.254 0.000 2.117 127 D HA -0.167 4.473 4.640 0.001 0.000 0.197 127 D C 1.946 178.103 176.300 -0.238 0.000 0.987 127 D CA 0.980 54.844 54.000 -0.227 0.000 0.829 127 D CB -0.167 40.542 40.800 -0.152 0.000 0.961 127 D HN 0.231 nan 8.370 nan 0.000 0.460 128 L N -0.038 121.043 121.223 -0.237 0.000 2.046 128 L HA -0.216 4.124 4.340 0.001 0.000 0.208 128 L C 2.473 179.262 176.870 -0.134 0.000 1.077 128 L CA 0.919 55.647 54.840 -0.188 0.000 0.747 128 L CB -0.470 41.491 42.059 -0.163 0.000 0.896 128 L HN 0.066 nan 8.230 nan 0.000 0.432 129 Y N 0.660 120.814 120.300 -0.242 0.000 2.145 129 Y HA -0.244 4.306 4.550 0.001 0.000 0.286 129 Y C 2.576 178.227 175.900 -0.415 0.000 1.145 129 Y CA 0.847 58.808 58.100 -0.232 0.000 1.148 129 Y CB -0.900 37.422 38.460 -0.230 0.000 0.981 129 Y HN 0.120 nan 8.280 nan 0.000 0.507 130 K N 0.239 120.329 120.400 -0.516 0.000 2.063 130 K HA -0.226 4.095 4.320 0.001 0.000 0.208 130 K C 2.194 178.633 176.600 -0.270 0.000 1.048 130 K CA 1.692 57.660 56.287 -0.532 0.000 0.928 130 K CB -0.193 31.968 32.500 -0.564 0.000 0.713 130 K HN 0.182 nan 8.250 nan 0.000 0.442 131 K N 0.634 120.884 120.400 -0.249 0.000 2.057 131 K HA -0.128 4.192 4.320 0.001 0.000 0.207 131 K C 2.048 178.490 176.600 -0.263 0.000 1.049 131 K CA 1.303 57.464 56.287 -0.209 0.000 0.931 131 K CB -0.056 32.334 32.500 -0.184 0.000 0.714 131 K HN 0.154 nan 8.250 nan 0.000 0.440 132 A N 0.251 122.820 122.820 -0.418 0.000 1.968 132 A HA 0.033 4.354 4.320 0.001 0.000 0.217 132 A C 0.198 177.325 177.584 -0.760 0.000 1.169 132 A CA 0.647 52.257 52.037 -0.710 0.000 0.638 132 A CB -0.036 18.285 19.000 -1.133 0.000 0.812 132 A HN 0.198 nan 8.150 nan 0.000 0.446 133 F N 0.146 120.064 119.950 -0.053 0.000 2.347 133 F HA 0.314 4.841 4.527 0.001 0.000 0.366 133 F C 1.506 177.248 175.800 -0.096 0.000 1.107 133 F CA -0.711 57.257 58.000 -0.053 0.000 1.058 133 F CB 1.360 40.421 39.000 0.102 0.000 1.236 133 F HN 0.127 nan 8.300 nan 0.000 0.456 134 S N -0.384 115.313 115.700 -0.005 0.000 2.474 134 S HA -0.154 4.317 4.470 0.001 0.000 0.235 134 S C 1.704 176.241 174.600 -0.105 0.000 0.997 134 S CA 1.270 59.433 58.200 -0.061 0.000 0.949 134 S CB -0.759 62.405 63.200 -0.060 0.000 0.766 134 S HN 0.699 nan 8.310 nan 0.000 0.517 135 T N -3.488 110.957 114.554 -0.182 0.000 3.100 135 T HA 0.075 4.426 4.350 0.001 0.000 0.253 135 T C 0.424 174.771 174.700 -0.588 0.000 1.118 135 T CA -0.549 61.388 62.100 -0.271 0.000 1.058 135 T CB -0.527 68.197 68.868 -0.240 0.000 0.953 135 T HN 0.521 nan 8.240 nan 0.000 0.515 136 W N 3.205 124.076 121.300 -0.714 0.000 2.397 136 W HA 0.396 5.057 4.660 0.001 0.000 0.327 136 W C -0.154 175.947 176.519 -0.697 0.000 1.421 136 W CA -0.023 56.691 57.345 -1.053 0.000 1.288 136 W CB 0.091 29.310 29.460 -0.402 0.000 1.312 136 W HN 0.213 nan 8.180 nan 0.000 0.559 137 K N 4.824 124.769 120.400 -0.759 0.000 2.525 137 K HA 0.472 4.792 4.320 0.001 0.000 0.254 137 K C 0.492 176.967 176.600 -0.209 0.000 0.934 137 K CA 0.190 56.306 56.287 -0.285 0.000 0.802 137 K CB 1.135 33.484 32.500 -0.251 0.000 1.295 137 K HN 0.695 nan 8.250 nan 0.000 0.433 138 G N 3.223 111.983 108.800 -0.067 0.000 2.582 138 G HA2 -0.367 3.593 3.960 0.001 0.000 0.288 138 G HA3 -0.367 3.593 3.960 0.001 0.000 0.288 138 G C 0.427 175.315 174.900 -0.021 0.000 1.247 138 G CA 0.489 45.558 45.100 -0.052 0.000 0.972 138 G HN 0.715 nan 8.290 nan 0.000 0.557 139 K N -0.995 119.355 120.400 -0.083 0.000 2.217 139 K HA 0.158 4.478 4.320 0.001 0.000 0.202 139 K C 1.281 177.770 176.600 -0.184 0.000 1.051 139 K CA 0.926 57.156 56.287 -0.095 0.000 0.952 139 K CB 0.007 32.388 32.500 -0.199 0.000 0.736 139 K HN 0.607 nan 8.250 nan 0.000 0.453 140 Y N 0.362 120.312 120.300 -0.583 0.000 2.918 140 Y HA -0.398 4.152 4.550 0.001 0.000 0.464 140 Y C -0.224 175.249 175.900 -0.711 0.000 1.212 140 Y CA 0.672 58.198 58.100 -0.956 0.000 2.442 140 Y CB -0.535 36.897 38.460 -1.714 0.000 1.248 140 Y HN 0.310 nan 8.280 nan 0.000 0.636 141 N N -0.161 117.883 118.700 -1.093 0.000 2.710 141 N HA 0.216 4.956 4.740 0.001 0.000 0.257 141 N C 0.197 175.348 175.510 -0.598 0.000 1.140 141 N CA 0.087 52.748 53.050 -0.649 0.000 0.953 141 N CB 0.902 39.055 38.487 -0.557 0.000 1.664 141 N HN 0.676 nan 8.380 nan 0.000 0.497 142 L N 1.884 122.989 121.223 -0.197 0.000 2.081 142 L HA -0.251 4.089 4.340 0.001 0.000 0.212 142 L C 2.234 179.106 176.870 0.003 0.000 1.080 142 L CA 1.835 56.668 54.840 -0.011 0.000 0.754 142 L CB -0.595 41.515 42.059 0.085 0.000 0.893 142 L HN 0.698 nan 8.230 nan 0.000 0.433 143 Y N -0.674 119.551 120.300 -0.125 0.000 2.293 143 Y HA 0.035 4.586 4.550 0.001 0.000 0.291 143 Y C 2.232 178.048 175.900 -0.139 0.000 1.137 143 Y CA 0.733 58.757 58.100 -0.127 0.000 1.202 143 Y CB -1.352 36.987 38.460 -0.203 0.000 0.990 143 Y HN -0.039 nan 8.280 nan 0.000 0.537 144 G N 0.835 109.202 108.800 -0.721 0.000 2.421 144 G HA2 -0.225 3.735 3.960 0.001 0.000 0.216 144 G HA3 -0.225 3.735 3.960 0.001 0.000 0.216 144 G C 1.860 176.612 174.900 -0.247 0.000 1.171 144 G CA 1.371 46.105 45.100 -0.609 0.000 0.775 144 G HN 0.668 nan 8.290 nan 0.000 0.543 145 A N 0.307 122.958 122.820 -0.282 0.000 1.902 145 A HA 0.116 4.436 4.320 0.001 0.000 0.217 145 A C 2.183 179.497 177.584 -0.450 0.000 1.181 145 A CA 1.381 53.105 52.037 -0.522 0.000 0.623 145 A CB -0.585 18.127 19.000 -0.480 0.000 0.818 145 A HN 0.267 nan 8.150 nan 0.000 0.443 146 F N -0.010 119.836 119.950 -0.173 0.000 2.126 146 F HA -0.157 4.370 4.527 0.001 0.000 0.299 146 F C 2.150 178.125 175.800 0.292 0.000 1.096 146 F CA 1.517 59.621 58.000 0.172 0.000 1.255 146 F CB -0.447 38.640 39.000 0.145 0.000 0.997 146 F HN 0.109 nan 8.300 nan 0.000 0.479 147 L N -0.379 121.041 121.223 0.328 0.000 1.994 147 L HA -0.247 4.093 4.340 0.001 0.000 0.208 147 L C 2.531 179.397 176.870 -0.008 0.000 1.071 147 L CA 1.840 56.756 54.840 0.126 0.000 0.745 147 L CB -0.671 41.367 42.059 -0.034 0.000 0.892 147 L HN 0.163 nan 8.230 nan 0.000 0.431 148 E N 0.322 120.467 120.200 -0.093 0.000 2.058 148 E HA -0.316 4.034 4.350 0.001 0.000 0.194 148 E C 2.167 178.776 176.600 0.015 0.000 0.997 148 E CA 1.531 57.841 56.400 -0.150 0.000 0.801 148 E CB 0.096 29.588 29.700 -0.346 0.000 0.746 148 E HN 0.121 nan 8.360 nan 0.000 0.450 149 K N 0.810 121.208 120.400 -0.004 0.000 2.044 149 K HA -0.156 4.164 4.320 0.001 0.000 0.210 149 K C 1.807 178.471 176.600 0.107 0.000 1.049 149 K CA 1.775 58.107 56.287 0.076 0.000 0.927 149 K CB -0.687 31.707 32.500 -0.176 0.000 0.713 149 K HN 0.206 nan 8.250 nan 0.000 0.443 150 A N -0.020 122.929 122.820 0.215 0.000 1.877 150 A HA -0.117 4.203 4.320 0.001 0.000 0.216 150 A C 2.379 180.014 177.584 0.086 0.000 1.186 150 A CA 1.926 54.090 52.037 0.211 0.000 0.620 150 A CB -0.859 18.154 19.000 0.022 0.000 0.822 150 A HN 0.136 nan 8.150 nan 0.000 0.443 151 V N 0.127 120.056 119.914 0.024 0.000 2.332 151 V HA -0.290 3.831 4.120 0.001 0.000 0.248 151 V C 2.605 178.783 176.094 0.139 0.000 1.055 151 V CA 2.318 64.626 62.300 0.013 0.000 1.038 151 V CB -0.823 30.958 31.823 -0.070 0.000 0.651 151 V HN 0.536 nan 8.190 nan 0.000 0.450 152 R N -0.478 120.132 120.500 0.184 0.000 2.189 152 R HA 0.009 4.349 4.340 0.001 0.000 0.223 152 R C 1.913 178.279 176.300 0.111 0.000 1.092 152 R CA 0.940 57.136 56.100 0.159 0.000 0.989 152 R CB -0.211 30.175 30.300 0.144 0.000 0.876 152 R HN 0.440 nan 8.270 nan 0.000 0.457 153 L N 0.856 122.159 121.223 0.133 0.000 2.592 153 L HA 0.149 4.490 4.340 0.001 0.000 0.227 153 L C 0.344 177.357 176.870 0.240 0.000 1.127 153 L CA -0.111 54.839 54.840 0.183 0.000 0.884 153 L CB 0.074 42.286 42.059 0.254 0.000 1.065 153 L HN 0.065 nan 8.230 nan 0.000 0.457 154 L N 0.620 121.953 121.223 0.185 0.000 2.326 154 L HA 0.200 4.540 4.340 0.001 0.000 0.278 154 L C 0.526 177.468 176.870 0.119 0.000 1.092 154 L CA -0.285 54.660 54.840 0.175 0.000 0.810 154 L CB 0.869 43.037 42.059 0.182 0.000 1.153 154 L HN 0.046 nan 8.230 nan 0.000 0.439 155 K N 3.040 123.494 120.400 0.090 0.000 2.336 155 K HA 0.137 4.457 4.320 0.001 0.000 0.262 155 K C -2.261 174.367 176.600 0.046 0.000 0.992 155 K CA -1.429 54.884 56.287 0.044 0.000 0.927 155 K CB -0.035 32.476 32.500 0.019 0.000 0.956 155 K HN 0.276 nan 8.250 nan 0.000 0.495 156 P HA -0.081 nan 4.420 nan 0.000 0.262 156 P C 0.492 177.797 177.300 0.007 0.000 1.182 156 P CA 0.948 64.058 63.100 0.017 0.000 0.761 156 P CB 0.481 32.186 31.700 0.007 0.000 0.795 157 G N 1.940 110.736 108.800 -0.008 0.000 2.205 157 G HA2 -0.201 3.759 3.960 0.001 0.000 0.261 157 G HA3 -0.201 3.759 3.960 0.001 0.000 0.261 157 G C 0.699 175.590 174.900 -0.015 0.000 0.980 157 G CA -0.059 45.027 45.100 -0.023 0.000 0.632 157 G HN 0.894 nan 8.290 nan 0.000 0.533 158 G N -1.045 107.764 108.800 0.015 0.000 2.636 158 G HA2 0.552 4.512 3.960 0.001 0.000 0.246 158 G HA3 0.552 4.512 3.960 0.001 0.000 0.246 158 G C -0.221 174.696 174.900 0.028 0.000 1.216 158 G CA 0.470 45.592 45.100 0.038 0.000 0.854 158 G HN 1.087 nan 8.290 nan 0.000 0.572 159 V N 1.245 121.177 119.914 0.030 0.000 2.656 159 V HA 0.561 4.681 4.120 0.001 0.000 0.307 159 V C -0.070 176.033 176.094 0.015 0.000 1.051 159 V CA -0.726 61.583 62.300 0.015 0.000 0.893 159 V CB 1.604 33.416 31.823 -0.018 0.000 0.999 159 V HN 0.794 nan 8.190 nan 0.000 0.426 160 L N 5.004 126.245 121.223 0.031 0.000 2.362 160 L HA 0.929 5.269 4.340 0.001 0.000 0.271 160 L C -1.590 175.219 176.870 -0.101 0.000 1.002 160 L CA -0.542 54.227 54.840 -0.117 0.000 0.818 160 L CB 2.196 44.113 42.059 -0.237 0.000 1.298 160 L HN 0.450 nan 8.230 nan 0.000 0.420 161 V N 4.795 124.635 119.914 -0.123 0.000 2.462 161 V HA 0.496 4.616 4.120 0.001 0.000 0.288 161 V C -0.891 175.273 176.094 0.117 0.000 1.020 161 V CA -0.283 62.003 62.300 -0.023 0.000 0.857 161 V CB 1.154 32.958 31.823 -0.031 0.000 1.013 161 V HN 0.536 nan 8.190 nan 0.000 0.431 162 F N 2.742 122.644 119.950 -0.079 0.000 2.561 162 F HA 0.673 5.200 4.527 0.001 0.000 0.321 162 F C 0.038 175.812 175.800 -0.045 0.000 1.065 162 F CA -1.549 56.380 58.000 -0.119 0.000 0.934 162 F CB 2.243 41.187 39.000 -0.094 0.000 1.215 162 F HN 0.251 nan 8.300 nan 0.000 0.471 163 V N 5.295 125.286 119.914 0.129 0.000 2.394 163 V HA 0.823 4.944 4.120 0.001 0.000 0.282 163 V C -1.086 175.071 176.094 0.104 0.000 1.031 163 V CA -0.329 62.064 62.300 0.154 0.000 0.881 163 V CB 1.207 33.177 31.823 0.246 0.000 0.982 163 V HN 0.624 nan 8.190 nan 0.000 0.451 164 V N 4.188 124.076 119.914 -0.043 0.000 3.181 164 V HA 0.770 4.890 4.120 0.001 0.000 0.308 164 V C -2.943 172.765 176.094 -0.642 0.000 1.214 164 V CA -2.672 59.304 62.300 -0.540 0.000 1.053 164 V CB 1.838 33.299 31.823 -0.603 0.000 1.069 164 V HN 0.655 nan 8.190 nan 0.000 0.441 165 P HA 0.265 nan 4.420 nan 0.000 0.268 165 P C 0.507 177.585 177.300 -0.370 0.000 1.208 165 P CA 0.598 63.292 63.100 -0.677 0.000 0.777 165 P CB 0.745 31.996 31.700 -0.749 0.000 0.875 166 A N 1.687 124.369 122.820 -0.229 0.000 2.206 166 A HA -0.080 4.240 4.320 0.001 0.000 0.211 166 A C 1.866 179.198 177.584 -0.421 0.000 1.158 166 A CA 1.562 53.389 52.037 -0.350 0.000 0.761 166 A CB -1.566 17.318 19.000 -0.194 0.000 0.801 166 A HN 0.628 nan 8.150 nan 0.000 0.473 167 T N -2.113 112.336 114.554 -0.176 0.000 2.833 167 T HA -0.207 4.144 4.350 0.001 0.000 0.269 167 T C 1.772 176.403 174.700 -0.115 0.000 1.054 167 T CA 1.272 63.346 62.100 -0.043 0.000 1.135 167 T CB -0.718 68.227 68.868 0.128 0.000 0.869 167 T HN 0.850 nan 8.240 nan 0.000 0.466 168 W N 1.057 122.110 121.300 -0.412 0.000 2.525 168 W HA 0.117 4.777 4.660 0.001 0.000 0.259 168 W C 0.954 177.435 176.519 -0.063 0.000 1.253 168 W CA -0.360 56.721 57.345 -0.441 0.000 1.262 168 W CB -1.027 28.053 29.460 -0.633 0.000 1.122 168 W HN 0.179 nan 8.180 nan 0.000 0.607 169 L N 1.793 122.457 121.223 -0.933 0.000 2.131 169 L HA -0.212 4.129 4.340 0.001 0.000 0.210 169 L C 2.607 179.350 176.870 -0.211 0.000 1.092 169 L CA 2.565 56.904 54.840 -0.834 0.000 0.759 169 L CB -1.049 40.343 42.059 -1.110 0.000 0.903 169 L HN 0.128 nan 8.230 nan 0.000 0.435 170 V N -6.216 113.679 119.914 -0.032 0.000 3.431 170 V HA 0.266 4.386 4.120 0.001 0.000 0.255 170 V C 0.830 177.020 176.094 0.159 0.000 1.403 170 V CA -0.447 61.926 62.300 0.121 0.000 1.101 170 V CB -0.141 31.802 31.823 0.200 0.000 0.891 170 V HN -0.032 nan 8.190 nan 0.000 0.446 171 L N 1.531 122.895 121.223 0.234 0.000 2.397 171 L HA 0.371 4.711 4.340 0.001 0.000 0.271 171 L C 1.810 178.827 176.870 0.245 0.000 1.148 171 L CA -0.191 54.810 54.840 0.269 0.000 0.825 171 L CB 0.832 43.123 42.059 0.386 0.000 1.117 171 L HN 0.163 nan 8.230 nan 0.000 0.456 172 E N 1.163 121.444 120.200 0.135 0.000 2.118 172 E HA -0.207 4.144 4.350 0.001 0.000 0.195 172 E C 1.229 177.844 176.600 0.025 0.000 0.992 172 E CA 1.206 57.654 56.400 0.080 0.000 0.804 172 E CB 0.080 29.802 29.700 0.037 0.000 0.741 172 E HN 0.630 nan 8.360 nan 0.000 0.458 173 D N -0.494 119.867 120.400 -0.065 0.000 2.265 173 D HA -0.147 4.494 4.640 0.001 0.000 0.208 173 D C 0.795 176.859 176.300 -0.394 0.000 0.977 173 D CA 0.752 54.568 54.000 -0.307 0.000 0.871 173 D CB -0.173 40.288 40.800 -0.564 0.000 0.925 173 D HN 0.180 nan 8.370 nan 0.000 0.485 174 F N -0.773 119.262 119.950 0.142 0.000 2.639 174 F HA 0.409 4.936 4.527 0.001 0.000 0.302 174 F C 1.871 177.791 175.800 0.200 0.000 1.097 174 F CA -0.393 57.732 58.000 0.208 0.000 1.294 174 F CB -0.091 39.062 39.000 0.256 0.000 1.027 174 F HN -0.143 nan 8.300 nan 0.000 0.550 175 A N 0.396 123.348 122.820 0.221 0.000 1.933 175 A HA -0.119 4.201 4.320 0.001 0.000 0.218 175 A C 2.156 179.818 177.584 0.130 0.000 1.175 175 A CA 1.504 53.640 52.037 0.165 0.000 0.628 175 A CB -0.677 18.378 19.000 0.092 0.000 0.814 175 A HN 0.430 nan 8.150 nan 0.000 0.444 176 L N -1.191 120.084 121.223 0.087 0.000 2.109 176 L HA -0.102 4.239 4.340 0.001 0.000 0.207 176 L C 2.515 179.459 176.870 0.124 0.000 1.086 176 L CA 0.845 55.721 54.840 0.059 0.000 0.760 176 L CB -0.521 41.524 42.059 -0.025 0.000 0.910 176 L HN 0.452 nan 8.230 nan 0.000 0.437 177 L N 0.138 121.471 121.223 0.184 0.000 2.012 177 L HA -0.201 4.139 4.340 0.001 0.000 0.210 177 L C 2.756 179.803 176.870 0.295 0.000 1.073 177 L CA 1.751 56.736 54.840 0.242 0.000 0.748 177 L CB -0.482 41.776 42.059 0.332 0.000 0.891 177 L HN 0.085 nan 8.230 nan 0.000 0.431 178 R N -0.427 120.278 120.500 0.342 0.000 2.081 178 R HA -0.167 4.174 4.340 0.001 0.000 0.235 178 R C 2.160 178.444 176.300 -0.026 0.000 1.131 178 R CA 1.855 58.167 56.100 0.354 0.000 0.960 178 R CB -0.388 30.170 30.300 0.430 0.000 0.856 178 R HN 0.546 nan 8.270 nan 0.000 0.436 179 E N -0.136 120.055 120.200 -0.014 0.000 2.106 179 E HA -0.192 4.158 4.350 0.001 0.000 0.192 179 E C 1.653 178.248 176.600 -0.007 0.000 0.984 179 E CA 1.033 57.371 56.400 -0.103 0.000 0.806 179 E CB -0.169 29.509 29.700 -0.036 0.000 0.750 179 E HN 0.216 nan 8.360 nan 0.000 0.458 180 F N 1.495 121.416 119.950 -0.048 0.000 2.075 180 F HA -0.203 4.324 4.527 0.001 0.000 0.297 180 F C 1.878 177.678 175.800 -0.001 0.000 1.113 180 F CA 1.422 59.409 58.000 -0.022 0.000 1.218 180 F CB -0.229 38.763 39.000 -0.014 0.000 0.984 180 F HN -0.093 nan 8.300 nan 0.000 0.472 181 L N 0.125 121.399 121.223 0.084 0.000 2.042 181 L HA -0.251 4.090 4.340 0.001 0.000 0.210 181 L C 2.806 179.812 176.870 0.226 0.000 1.076 181 L CA 1.301 56.198 54.840 0.096 0.000 0.749 181 L CB -1.322 40.935 42.059 0.330 0.000 0.893 181 L HN 0.292 nan 8.230 nan 0.000 0.432 182 A N 0.942 123.755 122.820 -0.012 0.000 1.933 182 A HA -0.220 4.100 4.320 0.001 0.000 0.218 182 A C 2.368 179.949 177.584 -0.005 0.000 1.175 182 A CA 1.929 53.901 52.037 -0.107 0.000 0.628 182 A CB -0.538 18.060 19.000 -0.670 0.000 0.814 182 A HN 0.579 nan 8.150 nan 0.000 0.444 183 R N -1.391 119.070 120.500 -0.066 0.000 2.246 183 R HA 0.126 4.467 4.340 0.001 0.000 0.199 183 R C 0.909 177.177 176.300 -0.054 0.000 0.984 183 R CA 0.989 57.057 56.100 -0.053 0.000 1.015 183 R CB -0.025 30.238 30.300 -0.061 0.000 0.930 183 R HN 0.305 nan 8.270 nan 0.000 0.475 184 E N 0.724 120.878 120.200 -0.077 0.000 2.400 184 E HA 0.199 4.549 4.350 0.001 0.000 0.195 184 E C 0.663 177.379 176.600 0.193 0.000 1.012 184 E CA 0.863 57.239 56.400 -0.040 0.000 0.875 184 E CB 1.307 30.788 29.700 -0.364 0.000 0.859 184 E HN 0.538 nan 8.360 nan 0.000 0.498 185 G N 1.033 109.947 108.800 0.189 0.000 2.392 185 G HA2 0.208 4.168 3.960 0.001 0.000 0.260 185 G HA3 0.208 4.168 3.960 0.001 0.000 0.260 185 G C -1.512 173.328 174.900 -0.101 0.000 1.226 185 G CA -0.653 44.366 45.100 -0.136 0.000 0.913 185 G HN 0.035 nan 8.290 nan 0.000 0.483 186 K N -0.485 119.704 120.400 -0.351 0.000 2.221 186 K HA 0.781 5.101 4.320 0.001 0.000 0.258 186 K C -1.273 175.275 176.600 -0.086 0.000 0.944 186 K CA -0.603 55.620 56.287 -0.106 0.000 0.823 186 K CB 2.180 34.628 32.500 -0.086 0.000 1.113 186 K HN 0.355 nan 8.250 nan 0.000 0.431 187 T N 1.500 116.132 114.554 0.131 0.000 2.824 187 T HA 0.334 4.684 4.350 0.001 0.000 0.282 187 T C -0.908 173.853 174.700 0.102 0.000 0.993 187 T CA -0.763 61.458 62.100 0.203 0.000 0.967 187 T CB 1.549 70.611 68.868 0.324 0.000 0.960 187 T HN 0.568 nan 8.240 nan 0.000 0.441 188 S N 2.020 117.800 115.700 0.132 0.000 2.519 188 S HA 0.628 5.098 4.470 0.001 0.000 0.309 188 S C -0.417 174.191 174.600 0.013 0.000 1.100 188 S CA -0.697 57.550 58.200 0.078 0.000 1.059 188 S CB 1.302 64.561 63.200 0.099 0.000 1.008 188 S HN 0.502 nan 8.310 nan 0.000 0.478 189 V N 4.055 123.930 119.914 -0.065 0.000 2.417 189 V HA 0.455 4.576 4.120 0.001 0.000 0.291 189 V C -1.490 174.550 176.094 -0.089 0.000 1.024 189 V CA -0.671 61.630 62.300 0.002 0.000 0.861 189 V CB 0.883 32.670 31.823 -0.060 0.000 0.985 189 V HN 0.842 nan 8.190 nan 0.000 0.436 190 Y N 3.776 124.224 120.300 0.246 0.000 2.345 190 Y HA 0.431 4.981 4.550 0.001 0.000 0.331 190 Y C -0.302 175.740 175.900 0.236 0.000 0.959 190 Y CA -0.900 57.384 58.100 0.307 0.000 1.204 190 Y CB 1.083 39.735 38.460 0.320 0.000 1.135 190 Y HN 0.675 nan 8.280 nan 0.000 0.477 191 Y N 4.199 124.676 120.300 0.294 0.000 2.402 191 Y HA 0.243 4.793 4.550 0.001 0.000 0.333 191 Y C 0.017 175.938 175.900 0.034 0.000 1.076 191 Y CA -0.044 58.164 58.100 0.180 0.000 1.299 191 Y CB 0.589 39.225 38.460 0.293 0.000 1.197 191 Y HN 0.733 nan 8.280 nan 0.000 0.517 192 L N 5.049 125.833 121.223 -0.730 0.000 2.445 192 L HA 0.377 4.717 4.340 0.001 0.000 0.207 192 L C 1.412 177.706 176.870 -0.960 0.000 1.053 192 L CA 0.451 54.812 54.840 -0.797 0.000 0.841 192 L CB -0.538 41.099 42.059 -0.703 0.000 1.074 192 L HN 0.998 nan 8.230 nan 0.000 0.479 193 G N 0.874 108.986 108.800 -1.147 0.000 2.527 193 G HA2 -0.245 3.715 3.960 0.001 0.000 0.227 193 G HA3 -0.245 3.715 3.960 0.001 0.000 0.227 193 G C -0.317 174.421 174.900 -0.271 0.000 1.291 193 G CA -0.447 44.275 45.100 -0.629 0.000 0.904 193 G HN 0.268 nan 8.290 nan 0.000 0.577 194 E N 1.169 121.300 120.200 -0.115 0.000 1.852 194 E HA 0.295 4.645 4.350 0.001 0.000 0.276 194 E C 1.549 178.090 176.600 -0.097 0.000 1.163 194 E CA 0.336 56.707 56.400 -0.048 0.000 1.117 194 E CB 0.383 30.091 29.700 0.012 0.000 1.124 194 E HN 0.904 nan 8.360 nan 0.000 0.458 195 V N -1.082 118.682 119.914 -0.250 0.000 3.647 195 V HA 0.188 4.308 4.120 0.001 0.000 0.279 195 V C 0.209 176.074 176.094 -0.381 0.000 1.314 195 V CA 0.039 62.136 62.300 -0.338 0.000 1.125 195 V CB -0.544 30.991 31.823 -0.480 0.000 0.907 195 V HN 0.179 nan 8.190 nan 0.000 0.434 196 F N 2.040 121.997 119.950 0.010 0.000 2.385 196 F HA 0.668 5.195 4.527 0.001 0.000 0.360 196 F C -2.247 173.556 175.800 0.006 0.000 1.122 196 F CA -3.091 54.915 58.000 0.011 0.000 1.090 196 F CB 0.618 39.623 39.000 0.009 0.000 1.150 196 F HN -0.055 nan 8.300 nan 0.000 0.472 197 P HA -0.034 nan 4.420 nan 0.000 0.262 197 P C -0.045 177.306 177.300 0.086 0.000 1.182 197 P CA 0.572 63.725 63.100 0.088 0.000 0.761 197 P CB 0.411 32.148 31.700 0.061 0.000 0.795 198 Q N -0.874 118.962 119.800 0.061 0.000 2.406 198 Q HA -0.224 4.116 4.340 0.001 0.000 0.236 198 Q C -0.436 175.593 176.000 0.049 0.000 0.799 198 Q CA 1.499 57.328 55.803 0.044 0.000 1.286 198 Q CB -1.477 27.277 28.738 0.027 0.000 1.615 198 Q HN 0.639 nan 8.270 nan 0.000 0.621 199 K N -0.007 120.442 120.400 0.082 0.000 2.207 199 K HA 0.383 4.703 4.320 0.001 0.000 0.255 199 K C 0.743 177.398 176.600 0.092 0.000 0.941 199 K CA -0.683 55.652 56.287 0.079 0.000 0.825 199 K CB 1.138 33.692 32.500 0.090 0.000 1.119 199 K HN -0.263 nan 8.250 nan 0.000 0.430 200 K N 0.570 121.011 120.400 0.069 0.000 2.366 200 K HA 0.025 4.345 4.320 0.001 0.000 0.198 200 K C 0.577 177.225 176.600 0.080 0.000 1.044 200 K CA 0.108 56.430 56.287 0.059 0.000 0.973 200 K CB 0.216 32.736 32.500 0.034 0.000 0.767 200 K HN 0.357 nan 8.250 nan 0.000 0.475 201 V N 0.951 120.933 119.914 0.115 0.000 2.673 201 V HA 0.037 4.157 4.120 0.001 0.000 0.303 201 V C -0.249 175.926 176.094 0.136 0.000 1.046 201 V CA 0.078 62.451 62.300 0.123 0.000 1.126 201 V CB 1.163 33.070 31.823 0.141 0.000 0.934 201 V HN 0.198 nan 8.190 nan 0.000 0.487 202 S N 5.720 121.472 115.700 0.087 0.000 2.429 202 S HA 0.782 5.253 4.470 0.001 0.000 0.302 202 S C -0.179 174.427 174.600 0.010 0.000 1.115 202 S CA -0.084 58.156 58.200 0.066 0.000 1.095 202 S CB 0.867 64.163 63.200 0.159 0.000 0.987 202 S HN 1.391 nan 8.310 nan 0.000 0.474 203 A N 3.832 126.608 122.820 -0.074 0.000 2.320 203 A HA 0.852 5.172 4.320 0.001 0.000 0.334 203 A C -0.163 177.326 177.584 -0.159 0.000 1.147 203 A CA -0.664 51.328 52.037 -0.075 0.000 0.820 203 A CB 1.166 20.182 19.000 0.028 0.000 1.218 203 A HN 1.441 nan 8.150 nan 0.000 0.482 204 V N -0.672 119.205 119.914 -0.061 0.000 3.001 204 V HA 0.837 4.958 4.120 0.001 0.000 0.314 204 V C -0.507 175.659 176.094 0.121 0.000 1.099 204 V CA -0.808 61.508 62.300 0.026 0.000 0.989 204 V CB 1.414 33.274 31.823 0.062 0.000 1.040 204 V HN 0.658 nan 8.190 nan 0.000 0.434 205 V N 3.854 123.897 119.914 0.216 0.000 2.427 205 V HA 0.493 4.613 4.120 0.001 0.000 0.286 205 V C -0.016 176.293 176.094 0.358 0.000 1.034 205 V CA -0.351 62.097 62.300 0.247 0.000 0.893 205 V CB 1.481 33.405 31.823 0.168 0.000 0.982 205 V HN 0.887 nan 8.190 nan 0.000 0.452 206 I N 5.716 126.457 120.570 0.285 0.000 2.339 206 I HA 0.525 4.695 4.170 0.001 0.000 0.290 206 I C 0.066 176.315 176.117 0.220 0.000 0.994 206 I CA -0.561 60.913 61.300 0.290 0.000 1.191 206 I CB 0.612 38.737 38.000 0.209 0.000 1.343 206 I HN 0.630 nan 8.210 nan 0.000 0.458 207 R N 7.800 128.467 120.500 0.278 0.000 2.246 207 R HA 0.329 4.669 4.340 0.001 0.000 0.332 207 R C -1.926 174.495 176.300 0.201 0.000 0.974 207 R CA -0.525 55.688 56.100 0.188 0.000 0.837 207 R CB 1.007 31.422 30.300 0.192 0.000 1.145 207 R HN 0.628 nan 8.270 nan 0.000 0.467 208 F N 3.214 123.167 119.950 0.004 0.000 2.469 208 F HA 0.329 4.856 4.527 0.001 0.000 0.332 208 F C -0.772 175.025 175.800 -0.005 0.000 1.103 208 F CA -0.516 57.488 58.000 0.008 0.000 0.979 208 F CB 1.772 40.754 39.000 -0.029 0.000 1.137 208 F HN 0.458 nan 8.300 nan 0.000 0.463 209 Q N 5.456 124.793 119.800 -0.772 0.000 2.333 209 Q HA 0.250 4.591 4.340 0.001 0.000 0.267 209 Q C -0.787 174.659 176.000 -0.924 0.000 1.012 209 Q CA -0.895 54.558 55.803 -0.584 0.000 0.824 209 Q CB 1.722 30.294 28.738 -0.277 0.000 1.290 209 Q HN 0.777 nan 8.270 nan 0.000 0.449 210 K N 2.488 122.638 120.400 -0.418 0.000 3.006 210 K HA 0.126 4.447 4.320 0.001 0.000 0.265 210 K C -1.335 175.188 176.600 -0.128 0.000 1.279 210 K CA 0.114 56.301 56.287 -0.167 0.000 1.229 210 K CB -0.273 32.312 32.500 0.142 0.000 1.555 210 K HN 0.610 nan 8.250 nan 0.000 0.300 211 S N -1.193 114.382 115.700 -0.207 0.000 2.578 211 S HA 0.651 5.121 4.470 0.001 0.000 0.272 211 S C 0.069 174.602 174.600 -0.113 0.000 1.145 211 S CA -0.536 57.597 58.200 -0.111 0.000 0.835 211 S CB 1.236 64.389 63.200 -0.078 0.000 1.104 211 S HN 0.530 nan 8.310 nan 0.000 0.458 212 G N 1.677 110.444 108.800 -0.056 0.000 2.601 212 G HA2 0.034 3.994 3.960 0.001 0.000 0.252 212 G HA3 0.034 3.994 3.960 0.001 0.000 0.252 212 G C -0.539 174.351 174.900 -0.016 0.000 1.294 212 G CA 0.605 45.685 45.100 -0.032 0.000 0.912 212 G HN 1.900 nan 8.290 nan 0.000 0.574 213 K N -1.422 118.984 120.400 0.010 0.000 2.578 213 K HA 0.752 5.072 4.320 0.001 0.000 0.287 213 K C 0.156 176.813 176.600 0.094 0.000 1.010 213 K CA 0.059 56.385 56.287 0.064 0.000 0.889 213 K CB 1.510 34.054 32.500 0.074 0.000 1.514 213 K HN 2.792 nan 8.250 nan 0.000 0.424 214 G N -0.214 108.704 108.800 0.196 0.000 2.603 214 G HA2 0.152 4.113 3.960 0.001 0.000 0.686 214 G HA3 0.152 4.113 3.960 0.001 0.000 0.686 214 G C -2.060 172.979 174.900 0.233 0.000 1.286 214 G CA -0.415 44.818 45.100 0.221 0.000 0.871 214 G HN 0.829 nan 8.290 nan 0.000 0.568 215 L N -0.081 121.218 121.223 0.128 0.000 2.386 215 L HA 0.895 5.236 4.340 0.001 0.000 0.271 215 L C -0.005 176.824 176.870 -0.067 0.000 0.993 215 L CA -0.468 54.301 54.840 -0.117 0.000 0.819 215 L CB 2.336 44.024 42.059 -0.618 0.000 1.294 215 L HN 0.911 nan 8.230 nan 0.000 0.414 216 S N 4.719 120.371 115.700 -0.080 0.000 2.502 216 S HA 0.718 5.189 4.470 0.001 0.000 0.304 216 S C -1.216 173.281 174.600 -0.173 0.000 1.097 216 S CA -0.406 57.715 58.200 -0.132 0.000 1.045 216 S CB 1.508 64.718 63.200 0.016 0.000 1.019 216 S HN 0.606 nan 8.310 nan 0.000 0.481 217 L N 3.699 124.748 121.223 -0.291 0.000 2.313 217 L HA 0.764 5.104 4.340 0.001 0.000 0.283 217 L C -2.024 174.723 176.870 -0.206 0.000 1.013 217 L CA -0.235 54.463 54.840 -0.235 0.000 0.816 217 L CB 0.587 42.462 42.059 -0.308 0.000 1.236 217 L HN 0.724 nan 8.230 nan 0.000 0.419 218 W N 3.784 125.049 121.300 -0.060 0.000 2.785 218 W HA 0.448 5.109 4.660 0.001 0.000 0.333 218 W C -0.116 176.614 176.519 0.351 0.000 1.062 218 W CA -0.510 56.922 57.345 0.144 0.000 1.233 218 W CB 1.305 30.769 29.460 0.008 0.000 1.413 218 W HN 0.442 nan 8.180 nan 0.000 0.489 219 D N 0.657 121.460 120.400 0.672 0.000 2.451 219 D HA 0.547 5.187 4.640 0.001 0.000 0.259 219 D C -0.074 176.508 176.300 0.470 0.000 1.201 219 D CA 0.290 54.606 54.000 0.527 0.000 1.028 219 D CB 1.376 42.434 40.800 0.430 0.000 1.095 219 D HN 0.352 nan 8.370 nan 0.000 0.539 220 T N -2.299 112.446 114.554 0.318 0.000 2.883 220 T HA 0.650 5.001 4.350 0.001 0.000 0.296 220 T C -0.933 173.876 174.700 0.183 0.000 1.117 220 T CA -0.953 61.267 62.100 0.200 0.000 1.006 220 T CB 1.728 70.575 68.868 -0.035 0.000 1.191 220 T HN 0.475 nan 8.240 nan 0.000 0.508 221 Q N 0.114 120.012 119.800 0.164 0.000 2.421 221 Q HA 0.582 4.922 4.340 0.001 0.000 0.280 221 Q C -1.147 174.901 176.000 0.080 0.000 1.085 221 Q CA -1.066 54.816 55.803 0.132 0.000 0.807 221 Q CB 2.064 30.857 28.738 0.091 0.000 1.405 221 Q HN 0.698 nan 8.270 nan 0.000 0.419 222 E N 1.146 121.334 120.200 -0.020 0.000 2.413 222 E HA 0.185 4.536 4.350 0.001 0.000 0.263 222 E C -0.457 176.009 176.600 -0.225 0.000 1.015 222 E CA 0.370 56.591 56.400 -0.299 0.000 0.916 222 E CB 0.905 30.441 29.700 -0.273 0.000 0.947 222 E HN 0.694 nan 8.360 nan 0.000 0.440 223 S N 0.866 116.382 115.700 -0.306 0.000 2.810 223 S HA 0.169 4.639 4.470 0.001 0.000 0.315 223 S C 1.013 175.507 174.600 -0.177 0.000 1.138 223 S CA -0.836 57.261 58.200 -0.172 0.000 0.889 223 S CB 1.526 64.659 63.200 -0.112 0.000 1.236 223 S HN 0.699 nan 8.310 nan 0.000 0.548 224 E N 0.567 120.700 120.200 -0.111 0.000 2.070 224 E HA -0.207 4.144 4.350 0.001 0.000 0.197 224 E C 1.605 178.135 176.600 -0.115 0.000 1.004 224 E CA 2.064 58.407 56.400 -0.096 0.000 0.805 224 E CB -0.208 29.455 29.700 -0.062 0.000 0.744 224 E HN 0.734 nan 8.360 nan 0.000 0.451 225 S N -2.171 113.462 115.700 -0.112 0.000 2.540 225 S HA 0.386 4.857 4.470 0.001 0.000 0.222 225 S C 0.670 175.189 174.600 -0.135 0.000 1.008 225 S CA 0.094 58.233 58.200 -0.103 0.000 0.939 225 S CB 1.536 64.701 63.200 -0.059 0.000 0.865 225 S HN 0.387 nan 8.310 nan 0.000 0.499 226 G N 0.485 109.155 108.800 -0.216 0.000 3.331 226 G HA2 0.512 4.473 3.960 0.001 0.000 0.153 226 G HA3 0.512 4.473 3.960 0.001 0.000 0.153 226 G C -1.562 172.909 174.900 -0.716 0.000 1.216 226 G CA -0.563 44.354 45.100 -0.304 0.000 1.426 226 G HN 0.275 nan 8.290 nan 0.000 0.705 227 F N 0.714 120.532 119.950 -0.220 0.000 2.588 227 F HA 0.648 5.176 4.527 0.001 0.000 0.310 227 F C -0.268 175.337 175.800 -0.325 0.000 1.082 227 F CA -0.660 57.065 58.000 -0.458 0.000 0.929 227 F CB 2.788 41.156 39.000 -1.053 0.000 1.254 227 F HN 0.169 nan 8.300 nan 0.000 0.455 228 T N 4.105 118.647 114.554 -0.021 0.000 2.771 228 T HA 0.409 4.759 4.350 0.001 0.000 0.281 228 T C -2.759 172.028 174.700 0.144 0.000 0.982 228 T CA -1.509 60.641 62.100 0.082 0.000 0.978 228 T CB 1.406 70.327 68.868 0.088 0.000 0.930 228 T HN 0.148 nan 8.240 nan 0.000 0.447 229 P HA 0.411 nan 4.420 nan 0.000 0.279 229 P C -1.007 176.622 177.300 0.549 0.000 1.239 229 P CA -0.580 62.787 63.100 0.446 0.000 0.789 229 P CB 0.783 32.710 31.700 0.378 0.000 0.933 230 I N 3.548 124.511 120.570 0.654 0.000 2.439 230 I HA 0.191 4.361 4.170 0.001 0.000 0.285 230 I C 0.211 176.632 176.117 0.508 0.000 1.021 230 I CA -1.229 60.380 61.300 0.515 0.000 1.091 230 I CB 1.331 39.541 38.000 0.350 0.000 1.242 230 I HN 0.261 nan 8.210 nan 0.000 0.439 231 L N 6.652 127.998 121.223 0.206 0.000 2.513 231 L HA 0.031 4.371 4.340 0.001 0.000 0.272 231 L C 0.515 177.325 176.870 -0.100 0.000 1.187 231 L CA 0.952 55.552 54.840 -0.400 0.000 0.895 231 L CB 0.380 42.009 42.059 -0.717 0.000 1.147 231 L HN 0.700 nan 8.230 nan 0.000 0.483 232 W N 5.598 126.737 121.300 -0.269 0.000 2.780 232 W HA 0.484 5.144 4.660 0.001 0.000 0.272 232 W C -0.194 176.199 176.519 -0.210 0.000 1.116 232 W CA 0.739 58.019 57.345 -0.108 0.000 1.600 232 W CB 0.464 29.982 29.460 0.096 0.000 1.086 232 W HN 0.653 nan 8.180 nan 0.000 0.584 233 A N 0.789 123.576 122.820 -0.055 0.000 2.612 233 A HA 0.561 4.881 4.320 0.001 0.000 0.293 233 A C -1.630 175.730 177.584 -0.373 0.000 1.075 233 A CA -0.575 51.323 52.037 -0.232 0.000 0.680 233 A CB 1.559 20.497 19.000 -0.103 0.000 1.279 233 A HN 0.114 nan 8.150 nan 0.000 0.411 234 E N -0.249 119.646 120.200 -0.508 0.000 2.272 234 E HA 0.521 4.871 4.350 0.001 0.000 0.269 234 E C -2.102 174.165 176.600 -0.556 0.000 0.877 234 E CA -0.319 55.840 56.400 -0.401 0.000 0.755 234 E CB 2.199 31.733 29.700 -0.277 0.000 1.192 234 E HN 0.526 nan 8.360 nan 0.000 0.422 235 Y N 2.236 122.474 120.300 -0.102 0.000 2.749 235 Y HA 0.212 4.762 4.550 0.001 0.000 0.343 235 Y C -1.714 174.173 175.900 -0.022 0.000 1.015 235 Y CA -1.873 56.212 58.100 -0.025 0.000 1.270 235 Y CB 1.092 39.563 38.460 0.017 0.000 1.097 235 Y HN 0.456 nan 8.280 nan 0.000 0.571 236 P HA -0.152 nan 4.420 nan 0.000 0.222 236 P C 0.167 177.323 177.300 -0.239 0.000 1.147 236 P CA 1.651 64.616 63.100 -0.225 0.000 0.790 236 P CB 0.267 31.702 31.700 -0.442 0.000 0.780 237 H N -3.670 115.523 119.070 0.204 0.000 2.505 237 H HA 0.158 4.715 4.556 0.001 0.000 0.286 237 H C 0.116 175.587 175.328 0.237 0.000 1.072 237 H CA -0.930 55.226 56.048 0.180 0.000 1.141 237 H CB -0.679 29.160 29.762 0.130 0.000 1.550 237 H HN 0.074 nan 8.280 nan 0.000 0.547 238 W N 2.960 124.354 121.300 0.158 0.000 2.435 238 W HA -0.086 4.575 4.660 0.001 0.000 0.337 238 W C 0.174 176.757 176.519 0.105 0.000 1.300 238 W CA 0.425 57.840 57.345 0.116 0.000 1.298 238 W CB 0.453 29.973 29.460 0.100 0.000 1.217 238 W HN 0.298 nan 8.180 nan 0.000 0.565 239 E N 3.501 123.502 120.200 -0.332 0.000 2.624 239 E HA 0.254 4.605 4.350 0.001 0.000 0.210 239 E C 1.191 177.381 176.600 -0.685 0.000 0.997 239 E CA 0.396 56.558 56.400 -0.397 0.000 0.999 239 E CB 0.436 30.046 29.700 -0.150 0.000 1.040 239 E HN 0.799 nan 8.360 nan 0.000 0.469 240 G N 1.801 109.727 108.800 -1.456 0.000 2.154 240 G HA2 -0.215 3.745 3.960 0.001 0.000 0.186 240 G HA3 -0.215 3.745 3.960 0.001 0.000 0.186 240 G C -0.075 174.677 174.900 -0.246 0.000 1.000 240 G CA -0.486 44.006 45.100 -1.013 0.000 0.664 240 G HN 0.190 nan 8.290 nan 0.000 0.513 241 E N -0.062 120.068 120.200 -0.116 0.000 2.438 241 E HA 0.426 4.776 4.350 0.001 0.000 0.261 241 E C 1.310 178.093 176.600 0.305 0.000 1.103 241 E CA -0.194 56.291 56.400 0.141 0.000 0.959 241 E CB 0.671 30.453 29.700 0.138 0.000 0.958 241 E HN 0.428 nan 8.360 nan 0.000 0.447 242 I N 2.036 122.715 120.570 0.183 0.000 2.919 242 I HA -0.149 4.021 4.170 0.001 0.000 0.303 242 I C 0.164 176.324 176.117 0.071 0.000 1.221 242 I CA 0.786 62.177 61.300 0.152 0.000 1.444 242 I CB 0.081 38.170 38.000 0.148 0.000 1.331 242 I HN 0.273 nan 8.210 nan 0.000 0.572 243 I N 7.617 128.169 120.570 -0.029 0.000 2.331 243 I HA 0.409 4.579 4.170 0.001 0.000 0.292 243 I C 0.080 176.127 176.117 -0.116 0.000 0.998 243 I CA -0.431 60.733 61.300 -0.227 0.000 1.267 243 I CB 0.680 38.407 38.000 -0.455 0.000 1.386 243 I HN 0.575 nan 8.210 nan 0.000 0.476 244 R N 4.781 125.173 120.500 -0.181 0.000 2.808 244 R HA 0.479 4.820 4.340 0.001 0.000 0.272 244 R C -1.464 174.667 176.300 -0.282 0.000 0.995 244 R CA -0.869 55.154 56.100 -0.128 0.000 0.917 244 R CB 1.914 32.113 30.300 -0.169 0.000 1.217 244 R HN 0.297 nan 8.270 nan 0.000 0.471 245 F N 2.018 121.802 119.950 -0.276 0.000 2.462 245 F HA 0.190 4.717 4.527 0.001 0.000 0.354 245 F C 0.597 176.357 175.800 -0.066 0.000 1.192 245 F CA -0.055 57.704 58.000 -0.402 0.000 1.173 245 F CB 0.494 38.975 39.000 -0.866 0.000 1.402 245 F HN 0.210 nan 8.300 nan 0.000 0.595 246 E N 1.416 121.799 120.200 0.305 0.000 2.313 246 E HA 0.438 4.789 4.350 0.001 0.000 0.272 246 E C 0.170 177.007 176.600 0.395 0.000 1.038 246 E CA -0.423 56.139 56.400 0.271 0.000 0.863 246 E CB 1.373 31.207 29.700 0.224 0.000 1.060 246 E HN 0.515 nan 8.360 nan 0.000 0.402 247 T N -2.227 112.458 114.554 0.219 0.000 2.838 247 T HA 0.186 4.536 4.350 0.001 0.000 0.292 247 T C 0.868 175.613 174.700 0.075 0.000 1.113 247 T CA -0.877 61.301 62.100 0.131 0.000 1.008 247 T CB 1.627 70.579 68.868 0.139 0.000 1.259 247 T HN 0.535 nan 8.240 nan 0.000 0.520 248 E N 0.191 120.406 120.200 0.026 0.000 2.118 248 E HA -0.207 4.144 4.350 0.001 0.000 0.195 248 E C 1.721 178.356 176.600 0.059 0.000 0.992 248 E CA 1.584 58.001 56.400 0.028 0.000 0.804 248 E CB -0.016 29.684 29.700 -0.000 0.000 0.741 248 E HN 0.757 nan 8.360 nan 0.000 0.458 249 E N -0.582 119.661 120.200 0.071 0.000 2.051 249 E HA -0.183 4.167 4.350 0.001 0.000 0.192 249 E C 2.262 178.954 176.600 0.153 0.000 0.991 249 E CA 1.853 58.312 56.400 0.099 0.000 0.799 249 E CB -0.103 29.656 29.700 0.098 0.000 0.748 249 E HN 0.434 nan 8.360 nan 0.000 0.449 250 T N -0.718 113.941 114.554 0.175 0.000 2.746 250 T HA -0.146 4.204 4.350 0.001 0.000 0.267 250 T C 1.903 176.747 174.700 0.240 0.000 1.039 250 T CA 0.935 63.196 62.100 0.269 0.000 1.142 250 T CB -0.226 68.700 68.868 0.098 0.000 0.866 250 T HN 0.040 nan 8.240 nan 0.000 0.444 251 R N 1.013 121.604 120.500 0.152 0.000 2.073 251 R HA 0.017 4.358 4.340 0.001 0.000 0.234 251 R C 2.782 179.144 176.300 0.105 0.000 1.134 251 R CA 1.642 57.816 56.100 0.123 0.000 0.952 251 R CB -0.299 30.056 30.300 0.092 0.000 0.850 251 R HN 0.439 nan 8.270 nan 0.000 0.433 252 K N 0.618 121.072 120.400 0.091 0.000 2.032 252 K HA -0.179 4.141 4.320 0.001 0.000 0.209 252 K C 2.050 178.691 176.600 0.068 0.000 1.048 252 K CA 1.223 57.551 56.287 0.068 0.000 0.927 252 K CB -0.118 32.418 32.500 0.060 0.000 0.712 252 K HN 0.008 nan 8.250 nan 0.000 0.441 253 L N 1.734 123.007 121.223 0.083 0.000 2.046 253 L HA -0.151 4.189 4.340 0.001 0.000 0.208 253 L C 1.890 178.788 176.870 0.047 0.000 1.077 253 L CA 1.753 56.623 54.840 0.050 0.000 0.747 253 L CB -0.236 41.811 42.059 -0.020 0.000 0.896 253 L HN 0.216 nan 8.230 nan 0.000 0.432 254 E N -0.381 119.873 120.200 0.091 0.000 2.110 254 E HA -0.209 4.141 4.350 0.001 0.000 0.193 254 E C 2.171 178.820 176.600 0.082 0.000 0.988 254 E CA 1.666 58.132 56.400 0.109 0.000 0.804 254 E CB -0.253 29.544 29.700 0.163 0.000 0.745 254 E HN 0.690 nan 8.360 nan 0.000 0.458 255 I N -0.493 120.118 120.570 0.070 0.000 2.676 255 I HA -0.114 4.056 4.170 0.001 0.000 0.259 255 I C 2.333 178.470 176.117 0.034 0.000 1.194 255 I CA 1.200 62.530 61.300 0.050 0.000 1.473 255 I CB -0.532 37.495 38.000 0.045 0.000 1.096 255 I HN -0.031 nan 8.210 nan 0.000 0.443 256 S N 0.757 116.476 115.700 0.031 0.000 2.515 256 S HA 0.231 4.701 4.470 0.001 0.000 0.231 256 S C 0.960 175.561 174.600 0.001 0.000 0.987 256 S CA 0.277 58.483 58.200 0.010 0.000 0.936 256 S CB -0.513 62.688 63.200 0.001 0.000 0.766 256 S HN 0.655 nan 8.310 nan 0.000 0.528 257 G N -0.070 108.744 108.800 0.024 0.000 2.695 257 G HA2 0.585 4.546 3.960 0.001 0.000 0.290 257 G HA3 0.585 4.546 3.960 0.001 0.000 0.290 257 G C -1.319 173.608 174.900 0.046 0.000 1.410 257 G CA -1.035 44.082 45.100 0.030 0.000 0.844 257 G HN 0.297 nan 8.290 nan 0.000 0.478 258 M N 1.032 120.660 119.600 0.048 0.000 2.235 258 M HA 0.346 4.827 4.480 0.001 0.000 0.351 258 M C -2.220 174.134 176.300 0.089 0.000 1.178 258 M CA -1.590 53.738 55.300 0.047 0.000 1.143 258 M CB 1.656 34.269 32.600 0.022 0.000 1.530 258 M HN 0.113 nan 8.290 nan 0.000 0.461 259 P HA -0.041 nan 4.420 nan 0.000 0.268 259 P C 0.254 177.628 177.300 0.124 0.000 1.205 259 P CA -0.146 63.016 63.100 0.103 0.000 0.771 259 P CB 0.450 32.198 31.700 0.081 0.000 0.858 260 L N 4.057 125.367 121.223 0.145 0.000 2.127 260 L HA -0.098 4.243 4.340 0.001 0.000 0.211 260 L C 2.086 179.083 176.870 0.211 0.000 1.089 260 L CA 2.389 57.348 54.840 0.199 0.000 0.757 260 L CB -1.398 40.731 42.059 0.117 0.000 0.899 260 L HN 0.531 nan 8.230 nan 0.000 0.434 261 G N -1.893 106.976 108.800 0.116 0.000 2.534 261 G HA2 -0.179 3.781 3.960 0.001 0.000 0.217 261 G HA3 -0.179 3.781 3.960 0.001 0.000 0.217 261 G C 1.079 176.020 174.900 0.068 0.000 1.128 261 G CA 0.599 45.751 45.100 0.087 0.000 0.784 261 G HN 0.389 nan 8.290 nan 0.000 0.542 262 D N 0.016 120.459 120.400 0.072 0.000 2.347 262 D HA 0.083 4.723 4.640 0.001 0.000 0.213 262 D C 2.323 178.656 176.300 0.054 0.000 0.985 262 D CA 0.210 54.243 54.000 0.055 0.000 0.879 262 D CB 0.332 41.161 40.800 0.048 0.000 0.919 262 D HN 0.316 nan 8.370 nan 0.000 0.526 263 L N -1.396 119.839 121.223 0.020 0.000 2.408 263 L HA 0.185 4.525 4.340 0.001 0.000 0.215 263 L C -0.015 176.559 176.870 -0.494 0.000 1.081 263 L CA 0.352 55.063 54.840 -0.216 0.000 0.840 263 L CB 0.343 42.305 42.059 -0.161 0.000 1.002 263 L HN -0.156 nan 8.230 nan 0.000 0.468 264 F N -1.720 118.165 119.950 -0.107 0.000 2.565 264 F HA 0.403 4.930 4.527 0.000 0.000 0.313 264 F C 0.185 175.880 175.800 -0.175 0.000 1.091 264 F CA -1.035 56.892 58.000 -0.122 0.000 0.915 264 F CB 1.148 40.123 39.000 -0.041 0.000 1.208 264 F HN -0.144 nan 8.300 nan 0.000 0.453 265 H N 3.839 123.002 119.070 0.155 0.000 2.803 265 H HA 0.360 4.916 4.556 0.001 0.000 0.330 265 H C -0.268 175.094 175.328 0.056 0.000 1.057 265 H CA 0.364 56.459 56.048 0.078 0.000 1.458 265 H CB 0.980 30.760 29.762 0.031 0.000 1.470 265 H HN 0.422 nan 8.280 nan 0.000 0.560 266 I N 4.893 125.546 120.570 0.139 0.000 2.362 266 I HA 0.263 4.434 4.170 0.001 0.000 0.289 266 I C 0.294 176.461 176.117 0.084 0.000 0.994 266 I CA -0.626 60.710 61.300 0.060 0.000 1.158 266 I CB 0.808 38.812 38.000 0.006 0.000 1.315 266 I HN 0.262 nan 8.210 nan 0.000 0.451 267 R N 4.743 125.255 120.500 0.021 0.000 2.892 267 R HA 0.580 4.920 4.340 0.001 0.000 0.265 267 R C -1.216 175.221 176.300 0.229 0.000 1.025 267 R CA -0.999 55.139 56.100 0.063 0.000 0.982 267 R CB 2.156 32.346 30.300 -0.184 0.000 1.185 267 R HN 0.389 nan 8.270 nan 0.000 0.484 268 F N 0.046 120.081 119.950 0.141 0.000 2.483 268 F HA 0.580 5.108 4.527 0.001 0.000 0.329 268 F C 0.350 176.319 175.800 0.282 0.000 1.064 268 F CA -0.627 57.459 58.000 0.143 0.000 0.986 268 F CB 1.597 40.589 39.000 -0.013 0.000 1.218 268 F HN 0.654 nan 8.300 nan 0.000 0.484 269 A N 2.511 125.312 122.820 -0.032 0.000 2.520 269 A HA 0.449 4.770 4.320 0.001 0.000 0.235 269 A C -0.036 177.763 177.584 0.358 0.000 1.065 269 A CA 0.005 52.183 52.037 0.236 0.000 0.764 269 A CB -0.546 18.580 19.000 0.210 0.000 1.002 269 A HN 1.122 nan 8.150 nan 0.000 0.502 270 A N 2.512 125.543 122.820 0.351 0.000 2.555 270 A HA 0.414 4.734 4.320 0.001 0.000 0.233 270 A C 0.715 178.540 177.584 0.402 0.000 1.060 270 A CA -0.018 52.171 52.037 0.253 0.000 0.759 270 A CB 0.003 19.014 19.000 0.019 0.000 0.995 270 A HN 0.795 nan 8.150 nan 0.000 0.506 271 R N 1.640 122.315 120.500 0.292 0.000 2.549 271 R HA 0.294 4.635 4.340 0.001 0.000 0.267 271 R C 1.730 178.240 176.300 0.349 0.000 1.045 271 R CA 0.108 56.389 56.100 0.301 0.000 1.115 271 R CB 0.019 30.442 30.300 0.205 0.000 1.121 271 R HN 0.967 nan 8.270 nan 0.000 0.543 272 S N 0.687 116.554 115.700 0.278 0.000 2.380 272 S HA -0.128 4.342 4.470 0.001 0.000 0.229 272 S C -1.019 173.725 174.600 0.241 0.000 1.043 272 S CA 1.261 59.611 58.200 0.250 0.000 1.038 272 S CB -1.132 62.147 63.200 0.132 0.000 0.872 272 S HN 0.435 nan 8.310 nan 0.000 0.456 273 P HA -0.008 nan 4.420 nan 0.000 0.220 273 P C 1.271 178.643 177.300 0.120 0.000 1.148 273 P CA 1.199 64.376 63.100 0.128 0.000 0.803 273 P CB -0.147 31.612 31.700 0.097 0.000 0.782 274 E N -1.463 118.802 120.200 0.109 0.000 2.106 274 E HA -0.145 4.205 4.350 0.001 0.000 0.192 274 E C 1.653 178.233 176.600 -0.035 0.000 0.984 274 E CA 1.010 57.413 56.400 0.005 0.000 0.806 274 E CB -0.522 29.128 29.700 -0.084 0.000 0.750 274 E HN 0.292 nan 8.360 nan 0.000 0.458 275 F N 1.466 121.460 119.950 0.072 0.000 2.128 275 F HA -0.067 4.461 4.527 0.000 0.000 0.295 275 F C 2.280 178.131 175.800 0.085 0.000 1.100 275 F CA 1.018 59.054 58.000 0.060 0.000 1.260 275 F CB -0.068 38.942 39.000 0.017 0.000 1.009 275 F HN -0.183 nan 8.300 nan 0.000 0.476 276 K N 0.559 121.112 120.400 0.254 0.000 2.211 276 K HA -0.201 4.119 4.320 0.001 0.000 0.204 276 K C 1.732 178.409 176.600 0.129 0.000 1.047 276 K CA 1.629 58.016 56.287 0.167 0.000 0.935 276 K CB -0.223 32.352 32.500 0.126 0.000 0.728 276 K HN 0.351 nan 8.250 nan 0.000 0.452 277 K N -0.254 120.215 120.400 0.115 0.000 2.374 277 K HA -0.003 4.317 4.320 0.001 0.000 0.196 277 K C 0.159 176.797 176.600 0.065 0.000 1.023 277 K CA 0.041 56.371 56.287 0.072 0.000 1.103 277 K CB 0.005 32.532 32.500 0.046 0.000 0.848 277 K HN 0.050 nan 8.250 nan 0.000 0.528 278 H N 2.476 121.557 119.070 0.018 0.000 2.646 278 H HA 0.123 4.680 4.556 0.000 0.000 0.325 278 H C -1.567 173.774 175.328 0.023 0.000 1.075 278 H CA -1.670 54.377 56.048 -0.002 0.000 1.421 278 H CB 1.390 31.131 29.762 -0.034 0.000 1.461 278 H HN -0.075 nan 8.280 nan 0.000 0.525 279 P HA -0.133 nan 4.420 nan 0.000 0.222 279 P C 0.590 177.926 177.300 0.061 0.000 1.147 279 P CA 1.315 64.352 63.100 -0.105 0.000 0.790 279 P CB 0.235 31.824 31.700 -0.185 0.000 0.780 280 A N -0.337 122.654 122.820 0.285 0.000 2.132 280 A HA 0.157 4.477 4.320 0.001 0.000 0.213 280 A C 1.163 178.875 177.584 0.213 0.000 1.154 280 A CA 0.149 52.340 52.037 0.257 0.000 0.753 280 A CB -0.488 18.690 19.000 0.296 0.000 0.826 280 A HN 0.049 nan 8.150 nan 0.000 0.469 281 V N 2.114 122.182 119.914 0.256 0.000 2.614 281 V HA 0.295 4.415 4.120 0.001 0.000 0.291 281 V C 0.178 176.373 176.094 0.168 0.000 1.049 281 V CA -0.170 62.255 62.300 0.210 0.000 1.038 281 V CB 0.727 32.702 31.823 0.253 0.000 0.980 281 V HN 0.443 nan 8.190 nan 0.000 0.481 282 R N 3.065 123.674 120.500 0.181 0.000 2.854 282 R HA 0.482 4.822 4.340 0.001 0.000 0.271 282 R C -0.140 176.309 176.300 0.248 0.000 0.994 282 R CA -1.032 55.168 56.100 0.166 0.000 0.945 282 R CB 1.364 31.733 30.300 0.115 0.000 1.194 282 R HN 0.408 nan 8.270 nan 0.000 0.476 283 K N 0.591 121.109 120.400 0.196 0.000 2.374 283 K HA 0.164 4.484 4.320 0.001 0.000 0.196 283 K C -0.419 176.344 176.600 0.272 0.000 1.023 283 K CA 0.494 56.936 56.287 0.258 0.000 1.103 283 K CB 0.522 33.110 32.500 0.147 0.000 0.848 283 K HN 0.307 nan 8.250 nan 0.000 0.528 284 E N 0.014 120.234 120.200 0.032 0.000 2.383 284 E HA 0.299 4.649 4.350 0.001 0.000 0.275 284 E C -2.739 173.312 176.600 -0.916 0.000 0.918 284 E CA -2.338 53.794 56.400 -0.447 0.000 0.764 284 E CB 1.584 31.132 29.700 -0.253 0.000 1.252 284 E HN -0.153 nan 8.360 nan 0.000 0.449 285 P HA 0.431 nan 4.420 nan 0.000 0.274 285 P C -0.147 176.808 177.300 -0.575 0.000 1.246 285 P CA -0.051 62.227 63.100 -1.370 0.000 0.795 285 P CB 0.922 31.955 31.700 -1.113 0.000 1.006 286 G N -0.434 108.150 108.800 -0.360 0.000 2.340 286 G HA2 0.394 4.355 3.960 0.001 0.000 0.299 286 G HA3 0.394 4.355 3.960 0.001 0.000 0.299 286 G C -3.308 171.525 174.900 -0.112 0.000 1.291 286 G CA -0.848 44.136 45.100 -0.193 0.000 0.841 286 G HN 0.243 nan 8.290 nan 0.000 0.500 287 P HA 0.352 nan 4.420 nan 0.000 0.262 287 P C 0.895 178.176 177.300 -0.031 0.000 1.199 287 P CA 1.828 64.901 63.100 -0.044 0.000 0.763 287 P CB 0.780 32.459 31.700 -0.035 0.000 0.790 288 G N 2.385 111.172 108.800 -0.022 0.000 2.153 288 G HA2 -0.234 3.727 3.960 0.001 0.000 0.252 288 G HA3 -0.234 3.727 3.960 0.001 0.000 0.252 288 G C -0.175 174.718 174.900 -0.012 0.000 0.994 288 G CA -0.330 44.761 45.100 -0.015 0.000 0.698 288 G HN 0.460 nan 8.290 nan 0.000 0.521 289 L N 0.291 121.513 121.223 -0.001 0.000 2.317 289 L HA 0.768 5.108 4.340 0.001 0.000 0.281 289 L C 0.762 177.701 176.870 0.115 0.000 1.024 289 L CA -1.316 53.556 54.840 0.052 0.000 0.810 289 L CB 1.820 43.916 42.059 0.061 0.000 1.240 289 L HN 0.206 nan 8.230 nan 0.000 0.427 290 V N 0.511 120.471 119.914 0.077 0.000 2.919 290 V HA 0.683 4.803 4.120 0.001 0.000 0.316 290 V C -2.574 173.548 176.094 0.047 0.000 1.077 290 V CA -2.549 59.776 62.300 0.040 0.000 0.977 290 V CB 1.561 33.133 31.823 -0.418 0.000 1.039 290 V HN 0.514 nan 8.190 nan 0.000 0.441 291 P HA 0.182 nan 4.420 nan 0.000 0.271 291 P C -0.266 176.809 177.300 -0.375 0.000 1.216 291 P CA 0.025 62.853 63.100 -0.452 0.000 0.776 291 P CB 0.906 32.388 31.700 -0.363 0.000 0.881 292 V N 4.980 124.582 119.914 -0.520 0.000 2.439 292 V HA 0.028 4.149 4.120 0.001 0.000 0.271 292 V C 0.966 176.736 176.094 -0.540 0.000 1.040 292 V CA 0.002 61.964 62.300 -0.563 0.000 1.002 292 V CB -0.326 31.036 31.823 -0.769 0.000 1.000 292 V HN 0.354 nan 8.190 nan 0.000 0.477 293 L N 5.513 126.386 121.223 -0.583 0.000 2.418 293 L HA 0.523 4.863 4.340 0.001 0.000 0.265 293 L C 0.815 177.456 176.870 -0.381 0.000 1.143 293 L CA -0.014 54.436 54.840 -0.650 0.000 0.809 293 L CB 1.390 42.614 42.059 -1.390 0.000 1.124 293 L HN 0.844 nan 8.230 nan 0.000 0.456 294 T N -2.124 112.292 114.554 -0.230 0.000 2.724 294 T HA 0.358 4.709 4.350 0.001 0.000 0.274 294 T C 1.089 175.821 174.700 0.053 0.000 0.984 294 T CA -0.095 61.984 62.100 -0.036 0.000 1.024 294 T CB 1.289 70.116 68.868 -0.068 0.000 1.320 294 T HN 0.604 nan 8.240 nan 0.000 0.555 295 G N -0.176 108.654 108.800 0.051 0.000 2.462 295 G HA2 -0.159 3.802 3.960 0.001 0.000 0.220 295 G HA3 -0.159 3.802 3.960 0.001 0.000 0.220 295 G C 1.486 176.323 174.900 -0.105 0.000 1.121 295 G CA 0.263 45.374 45.100 0.018 0.000 0.758 295 G HN 0.752 nan 8.290 nan 0.000 0.559 296 R N -0.058 120.299 120.500 -0.237 0.000 2.237 296 R HA -0.011 4.330 4.340 0.001 0.000 0.219 296 R C 1.682 177.756 176.300 -0.377 0.000 1.080 296 R CA 1.131 56.958 56.100 -0.454 0.000 0.995 296 R CB -0.185 29.512 30.300 -1.006 0.000 0.875 296 R HN 0.405 nan 8.270 nan 0.000 0.462 297 N N -0.007 118.546 118.700 -0.245 0.000 2.373 297 N HA -0.008 4.732 4.740 0.001 0.000 0.181 297 N C -0.310 175.026 175.510 -0.290 0.000 1.082 297 N CA 0.014 52.902 53.050 -0.269 0.000 0.885 297 N CB 0.334 38.590 38.487 -0.385 0.000 0.977 297 N HN -0.023 nan 8.380 nan 0.000 0.462 298 L N 1.075 122.213 121.223 -0.142 0.000 2.276 298 L HA 0.387 4.727 4.340 0.001 0.000 0.286 298 L C -0.639 176.031 176.870 -0.334 0.000 1.061 298 L CA -0.143 54.612 54.840 -0.141 0.000 0.807 298 L CB 0.581 42.631 42.059 -0.016 0.000 1.177 298 L HN -0.165 nan 8.230 nan 0.000 0.429 299 K N 5.092 125.176 120.400 -0.526 0.000 2.400 299 K HA 0.640 4.961 4.320 0.001 0.000 0.246 299 K C -2.605 173.777 176.600 -0.363 0.000 0.995 299 K CA -1.959 53.961 56.287 -0.613 0.000 0.840 299 K CB 1.284 32.951 32.500 -1.388 0.000 1.293 299 K HN 0.269 nan 8.250 nan 0.000 0.445 300 P HA 0.122 nan 4.420 nan 0.000 0.269 300 P C 0.168 177.537 177.300 0.114 0.000 1.263 300 P CA 0.505 63.590 63.100 -0.025 0.000 0.813 300 P CB 0.385 32.096 31.700 0.018 0.000 0.868 301 G N 1.962 110.821 108.800 0.098 0.000 2.176 301 G HA2 -0.153 3.807 3.960 0.001 0.000 0.253 301 G HA3 -0.153 3.807 3.960 0.001 0.000 0.253 301 G C -0.335 174.772 174.900 0.346 0.000 0.979 301 G CA -0.063 45.160 45.100 0.205 0.000 0.641 301 G HN 0.593 nan 8.290 nan 0.000 0.530 302 W N -1.297 120.017 121.300 0.023 0.000 3.005 302 W HA 0.708 5.368 4.660 0.000 0.000 0.343 302 W C -1.380 175.116 176.519 -0.039 0.000 1.243 302 W CA -1.072 56.284 57.345 0.017 0.000 1.186 302 W CB 0.827 30.298 29.460 0.018 0.000 1.453 302 W HN 0.457 nan 8.180 nan 0.000 0.575 303 V N 1.967 121.879 119.914 -0.003 0.000 2.487 303 V HA 0.146 4.267 4.120 0.001 0.000 0.298 303 V C -0.708 175.128 176.094 -0.429 0.000 1.028 303 V CA -0.289 61.761 62.300 -0.416 0.000 0.860 303 V CB 1.488 32.953 31.823 -0.597 0.000 0.991 303 V HN 0.488 nan 8.190 nan 0.000 0.427 304 D N 2.917 123.017 120.400 -0.500 0.000 2.336 304 D HA 0.208 4.848 4.640 0.001 0.000 0.249 304 D C 0.117 176.191 176.300 -0.376 0.000 1.213 304 D CA 0.115 53.990 54.000 -0.208 0.000 0.870 304 D CB 0.720 41.444 40.800 -0.127 0.000 1.076 304 D HN 0.492 nan 8.370 nan 0.000 0.483 305 Y N 1.871 122.096 120.300 -0.124 0.000 2.466 305 Y HA 0.158 4.708 4.550 0.001 0.000 0.272 305 Y C 1.831 177.684 175.900 -0.079 0.000 1.169 305 Y CA 0.047 57.984 58.100 -0.272 0.000 1.285 305 Y CB 0.310 38.502 38.460 -0.447 0.000 1.078 305 Y HN 0.469 nan 8.280 nan 0.000 0.523 306 E N 0.477 120.734 120.200 0.095 0.000 2.057 306 E HA -0.035 4.315 4.350 0.001 0.000 0.190 306 E C 0.680 177.299 176.600 0.032 0.000 0.969 306 E CA 0.261 56.718 56.400 0.096 0.000 0.812 306 E CB 0.164 29.924 29.700 0.101 0.000 0.777 306 E HN 0.071 nan 8.360 nan 0.000 0.455 307 K N 2.124 122.501 120.400 -0.040 0.000 2.276 307 K HA 0.062 4.383 4.320 0.001 0.000 0.283 307 K C -0.445 175.947 176.600 -0.346 0.000 1.044 307 K CA -0.233 55.946 56.287 -0.181 0.000 0.944 307 K CB 0.600 32.957 32.500 -0.238 0.000 1.012 307 K HN -0.072 nan 8.250 nan 0.000 0.472 308 N N 2.969 121.443 118.700 -0.377 0.000 2.419 308 N HA 0.057 4.798 4.740 0.001 0.000 0.264 308 N C -0.483 174.682 175.510 -0.575 0.000 1.031 308 N CA 0.053 52.801 53.050 -0.502 0.000 0.951 308 N CB 0.684 38.782 38.487 -0.649 0.000 1.101 308 N HN 0.629 nan 8.380 nan 0.000 0.488 309 H N 0.092 118.999 119.070 -0.272 0.000 2.874 309 H HA 0.103 4.660 4.556 0.001 0.000 0.264 309 H C 1.532 176.733 175.328 -0.212 0.000 1.007 309 H CA 0.296 56.227 56.048 -0.197 0.000 1.207 309 H CB 0.767 30.433 29.762 -0.160 0.000 1.487 309 H HN 0.620 nan 8.280 nan 0.000 0.505 310 S N -0.942 114.626 115.700 -0.219 0.000 2.486 310 S HA 0.154 4.624 4.470 0.001 0.000 0.220 310 S C 1.989 176.448 174.600 -0.236 0.000 1.011 310 S CA 0.441 58.501 58.200 -0.234 0.000 0.921 310 S CB 0.218 63.213 63.200 -0.342 0.000 0.785 310 S HN 0.531 nan 8.310 nan 0.000 0.517 311 G N 0.921 109.517 108.800 -0.340 0.000 2.162 311 G HA2 -0.214 3.747 3.960 0.001 0.000 0.260 311 G HA3 -0.214 3.747 3.960 0.001 0.000 0.260 311 G C -0.146 174.634 174.900 -0.201 0.000 0.976 311 G CA 0.542 45.509 45.100 -0.221 0.000 0.655 311 G HN 0.562 nan 8.290 nan 0.000 0.533 312 L N -0.749 120.218 121.223 -0.425 0.000 2.362 312 L HA 0.767 5.108 4.340 0.001 0.000 0.271 312 L C -0.089 176.565 176.870 -0.360 0.000 1.002 312 L CA -1.221 53.494 54.840 -0.207 0.000 0.818 312 L CB 1.589 43.528 42.059 -0.199 0.000 1.298 312 L HN 0.110 nan 8.230 nan 0.000 0.420 313 W N 4.279 125.541 121.300 -0.063 0.000 2.950 313 W HA 0.728 5.389 4.660 0.001 0.000 0.340 313 W C -0.401 176.093 176.519 -0.042 0.000 1.139 313 W CA -0.660 56.643 57.345 -0.070 0.000 1.188 313 W CB 2.411 31.839 29.460 -0.053 0.000 1.426 313 W HN 0.459 nan 8.180 nan 0.000 0.531 314 M N 1.225 120.916 119.600 0.150 0.000 2.643 314 M HA 0.485 4.966 4.480 0.001 0.000 0.276 314 M C -3.094 173.215 176.300 0.014 0.000 1.200 314 M CA -1.969 53.381 55.300 0.084 0.000 0.863 314 M CB 2.395 35.034 32.600 0.065 0.000 1.711 314 M HN -0.150 nan 8.290 nan 0.000 0.492 315 P HA 0.158 nan 4.420 nan 0.000 0.271 315 P C -0.282 176.970 177.300 -0.080 0.000 1.220 315 P CA -0.062 63.021 63.100 -0.028 0.000 0.768 315 P CB 0.849 32.550 31.700 0.000 0.000 0.848 316 K N 3.305 123.617 120.400 -0.145 0.000 2.074 316 K HA -0.222 4.098 4.320 0.001 0.000 0.209 316 K C 1.334 177.879 176.600 -0.092 0.000 1.048 316 K CA 1.468 57.631 56.287 -0.207 0.000 0.926 316 K CB -0.008 32.322 32.500 -0.284 0.000 0.713 316 K HN 0.410 nan 8.250 nan 0.000 0.444 317 E N 0.145 120.315 120.200 -0.049 0.000 2.333 317 E HA -0.173 4.178 4.350 0.001 0.000 0.198 317 E C 1.599 178.199 176.600 -0.000 0.000 1.007 317 E CA 0.949 57.343 56.400 -0.010 0.000 0.845 317 E CB 0.031 29.731 29.700 0.000 0.000 0.766 317 E HN 0.353 nan 8.360 nan 0.000 0.507 318 R N -0.110 120.384 120.500 -0.011 0.000 2.334 318 R HA 0.237 4.578 4.340 0.001 0.000 0.216 318 R C 2.054 178.320 176.300 -0.057 0.000 0.905 318 R CA 0.435 56.532 56.100 -0.005 0.000 1.064 318 R CB 0.187 30.510 30.300 0.037 0.000 1.046 318 R HN 0.017 nan 8.270 nan 0.000 0.508 319 A N 2.814 125.609 122.820 -0.041 0.000 1.948 319 A HA -0.255 4.065 4.320 0.001 0.000 0.220 319 A C 2.003 179.636 177.584 0.082 0.000 1.177 319 A CA 1.733 53.770 52.037 0.000 0.000 0.636 319 A CB -0.340 18.663 19.000 0.004 0.000 0.815 319 A HN 0.379 nan 8.150 nan 0.000 0.449 320 K N -0.083 120.347 120.400 0.051 0.000 2.360 320 K HA -0.149 4.172 4.320 0.001 0.000 0.201 320 K C 1.301 177.858 176.600 -0.072 0.000 1.046 320 K CA 1.573 57.856 56.287 -0.007 0.000 0.945 320 K CB -0.308 32.196 32.500 0.006 0.000 0.750 320 K HN 0.596 nan 8.250 nan 0.000 0.464 321 E N 0.819 120.987 120.200 -0.053 0.000 2.204 321 E HA -0.108 4.243 4.350 0.001 0.000 0.194 321 E C 1.755 178.297 176.600 -0.097 0.000 0.989 321 E CA 0.814 57.195 56.400 -0.032 0.000 0.824 321 E CB -0.062 29.699 29.700 0.102 0.000 0.756 321 E HN 0.273 nan 8.360 nan 0.000 0.477 322 L N -0.146 120.965 121.223 -0.187 0.000 2.084 322 L HA 0.021 4.361 4.340 0.001 0.000 0.202 322 L C 0.817 177.483 176.870 -0.339 0.000 1.074 322 L CA 0.895 55.577 54.840 -0.264 0.000 0.757 322 L CB 0.270 42.086 42.059 -0.406 0.000 0.918 322 L HN -0.129 nan 8.230 nan 0.000 0.444 323 R N 0.157 120.337 120.500 -0.534 0.000 2.538 323 R HA 0.154 4.495 4.340 0.001 0.000 0.292 323 R C -0.080 175.707 176.300 -0.855 0.000 1.008 323 R CA -0.407 55.100 56.100 -0.988 0.000 0.896 323 R CB 1.436 30.487 30.300 -2.083 0.000 1.187 323 R HN 0.099 nan 8.270 nan 0.000 0.440 324 D N 2.252 122.329 120.400 -0.540 0.000 2.182 324 D HA -0.212 4.429 4.640 0.001 0.000 0.201 324 D C 1.381 177.544 176.300 -0.229 0.000 0.986 324 D CA 1.376 55.214 54.000 -0.270 0.000 0.847 324 D CB -0.390 40.337 40.800 -0.122 0.000 0.942 324 D HN 0.573 nan 8.370 nan 0.000 0.467 325 F N -0.869 118.935 119.950 -0.243 0.000 2.604 325 F HA 0.100 4.627 4.527 0.001 0.000 0.298 325 F C 1.338 177.063 175.800 -0.125 0.000 1.131 325 F CA -0.252 57.602 58.000 -0.244 0.000 1.457 325 F CB -1.084 37.691 39.000 -0.375 0.000 1.095 325 F HN -0.203 nan 8.300 nan 0.000 0.574 326 Y N 1.229 121.456 120.300 -0.122 0.000 2.616 326 Y HA 0.200 4.750 4.550 0.001 0.000 0.296 326 Y C 2.423 178.415 175.900 0.153 0.000 1.154 326 Y CA -0.189 57.985 58.100 0.122 0.000 1.325 326 Y CB -1.181 37.282 38.460 0.004 0.000 1.007 326 Y HN 0.292 nan 8.280 nan 0.000 0.542 327 A N -0.434 122.519 122.820 0.222 0.000 2.067 327 A HA 0.020 4.341 4.320 0.001 0.000 0.217 327 A C 1.204 178.907 177.584 0.198 0.000 1.156 327 A CA 1.255 53.392 52.037 0.168 0.000 0.683 327 A CB -0.663 18.395 19.000 0.097 0.000 0.808 327 A HN 0.289 nan 8.150 nan 0.000 0.455 328 T N -2.582 112.122 114.554 0.251 0.000 2.876 328 T HA 0.591 4.941 4.350 0.001 0.000 0.289 328 T C -3.329 171.554 174.700 0.305 0.000 1.014 328 T CA -2.450 59.797 62.100 0.245 0.000 0.986 328 T CB 1.853 70.843 68.868 0.203 0.000 1.021 328 T HN -0.118 nan 8.240 nan 0.000 0.458 329 P HA 0.183 nan 4.420 nan 0.000 0.264 329 P C -0.342 176.721 177.300 -0.395 0.000 1.183 329 P CA 0.277 63.328 63.100 -0.081 0.000 0.763 329 P CB 0.097 31.877 31.700 0.132 0.000 0.807 330 H N 0.811 119.274 119.070 -1.011 0.000 2.967 330 H HA 0.349 4.905 4.556 0.001 0.000 0.318 330 H C -1.475 173.278 175.328 -0.958 0.000 1.375 330 H CA -1.187 54.241 56.048 -1.032 0.000 1.132 330 H CB 0.317 29.910 29.762 -0.280 0.000 1.848 330 H HN 0.180 nan 8.280 nan 0.000 0.524 331 L N 1.805 122.819 121.223 -0.348 0.000 2.410 331 L HA 0.338 4.679 4.340 0.001 0.000 0.273 331 L C -0.803 175.912 176.870 -0.257 0.000 1.152 331 L CA -0.013 54.748 54.840 -0.132 0.000 0.855 331 L CB 0.457 42.508 42.059 -0.012 0.000 1.129 331 L HN 0.451 nan 8.230 nan 0.000 0.463 332 V N 5.846 125.529 119.914 -0.384 0.000 2.495 332 V HA 0.619 4.739 4.120 0.001 0.000 0.298 332 V C -0.418 175.429 176.094 -0.412 0.000 1.031 332 V CA -0.698 61.237 62.300 -0.608 0.000 0.871 332 V CB 1.864 33.082 31.823 -1.008 0.000 0.988 332 V HN 0.547 nan 8.190 nan 0.000 0.432 333 V N 2.864 122.573 119.914 -0.342 0.000 2.656 333 V HA 0.776 4.896 4.120 0.001 0.000 0.307 333 V C 0.382 176.470 176.094 -0.009 0.000 1.051 333 V CA -0.753 61.463 62.300 -0.140 0.000 0.893 333 V CB 1.999 33.767 31.823 -0.092 0.000 0.999 333 V HN 1.039 nan 8.190 nan 0.000 0.426 334 A N 1.442 124.267 122.820 0.008 0.000 2.407 334 A HA 0.439 4.759 4.320 0.001 0.000 0.248 334 A C 0.509 178.251 177.584 0.264 0.000 1.082 334 A CA 0.282 52.348 52.037 0.049 0.000 0.785 334 A CB 0.017 19.017 19.000 -0.000 0.000 1.020 334 A HN 1.120 nan 8.150 nan 0.000 0.489 335 H N 0.462 119.584 119.070 0.086 0.000 2.681 335 H HA 0.200 4.756 4.556 0.001 0.000 0.268 335 H C 0.209 175.716 175.328 0.298 0.000 0.967 335 H CA 1.528 57.698 56.048 0.204 0.000 1.233 335 H CB 0.744 30.494 29.762 -0.019 0.000 1.445 335 H HN 0.476 nan 8.280 nan 0.000 0.494 336 T N 1.074 115.703 114.554 0.126 0.000 3.532 336 T HA 0.269 4.620 4.350 0.001 0.000 0.241 336 T C 0.130 174.802 174.700 -0.047 0.000 1.238 336 T CA -0.428 61.678 62.100 0.011 0.000 1.405 336 T CB 0.111 69.021 68.868 0.069 0.000 0.971 336 T HN 0.218 nan 8.240 nan 0.000 0.640 337 K N 1.358 121.734 120.400 -0.041 0.000 2.564 337 K HA 0.472 4.793 4.320 0.001 0.000 0.205 337 K C 1.158 177.717 176.600 -0.069 0.000 1.053 337 K CA -0.439 55.814 56.287 -0.057 0.000 1.072 337 K CB 1.134 33.607 32.500 -0.046 0.000 0.822 337 K HN 0.544 nan 8.250 nan 0.000 0.497 338 G N 1.100 109.842 108.800 -0.098 0.000 2.593 338 G HA2 -0.265 3.696 3.960 0.001 0.000 0.237 338 G HA3 -0.265 3.696 3.960 0.001 0.000 0.237 338 G C -0.230 174.634 174.900 -0.060 0.000 1.312 338 G CA -0.605 44.438 45.100 -0.094 0.000 0.896 338 G HN 0.111 nan 8.290 nan 0.000 0.574 339 T N 2.223 116.742 114.554 -0.059 0.000 3.455 339 T HA 0.529 4.879 4.350 0.001 0.000 0.286 339 T C 0.617 175.292 174.700 -0.041 0.000 1.157 339 T CA 0.951 63.023 62.100 -0.046 0.000 1.090 339 T CB -0.693 68.134 68.868 -0.067 0.000 1.112 339 T HN 0.844 nan 8.240 nan 0.000 0.779 340 R N -0.722 119.760 120.500 -0.030 0.000 2.716 340 R HA 0.688 5.029 4.340 0.001 0.000 0.271 340 R C -2.124 174.155 176.300 -0.036 0.000 1.028 340 R CA -1.080 54.996 56.100 -0.040 0.000 0.883 340 R CB 1.052 31.323 30.300 -0.048 0.000 1.250 340 R HN 0.070 nan 8.270 nan 0.000 0.465 341 V N 1.765 121.641 119.914 -0.064 0.000 2.350 341 V HA 0.450 4.570 4.120 0.001 0.000 0.285 341 V C -0.742 175.298 176.094 -0.091 0.000 1.014 341 V CA -0.686 61.565 62.300 -0.081 0.000 0.831 341 V CB 1.505 33.251 31.823 -0.129 0.000 1.000 341 V HN 0.526 nan 8.190 nan 0.000 0.433 342 V N 4.171 124.041 119.914 -0.073 0.000 2.444 342 V HA 0.905 5.026 4.120 0.001 0.000 0.294 342 V C 0.148 176.185 176.094 -0.096 0.000 1.022 342 V CA -0.329 61.922 62.300 -0.082 0.000 0.850 342 V CB 1.656 33.431 31.823 -0.079 0.000 0.992 342 V HN 0.979 nan 8.190 nan 0.000 0.426 343 A N 3.909 126.673 122.820 -0.095 0.000 2.475 343 A HA 1.057 5.378 4.320 0.001 0.000 0.301 343 A C -0.564 176.986 177.584 -0.056 0.000 1.059 343 A CA -0.176 51.801 52.037 -0.099 0.000 0.710 343 A CB 2.110 21.052 19.000 -0.097 0.000 1.288 343 A HN 1.639 nan 8.150 nan 0.000 0.408 344 A N 0.863 123.648 122.820 -0.058 0.000 2.594 344 A HA 0.642 4.963 4.320 0.001 0.000 0.295 344 A C -1.372 176.268 177.584 0.094 0.000 1.071 344 A CA -0.337 51.725 52.037 0.041 0.000 0.685 344 A CB 0.863 19.869 19.000 0.009 0.000 1.285 344 A HN 1.350 nan 8.150 nan 0.000 0.405 345 W N 2.672 123.974 121.300 0.003 0.000 2.335 345 W HA 0.315 4.975 4.660 0.000 0.000 0.306 345 W C -1.023 175.536 176.519 0.066 0.000 1.216 345 W CA 0.212 57.570 57.345 0.021 0.000 1.237 345 W CB 1.116 30.619 29.460 0.071 0.000 1.243 345 W HN 0.778 nan 8.180 nan 0.000 0.493 346 D N 4.983 125.163 120.400 -0.365 0.000 2.435 346 D HA -0.066 4.574 4.640 0.001 0.000 0.230 346 D C 1.501 177.721 176.300 -0.133 0.000 1.215 346 D CA 0.195 54.137 54.000 -0.097 0.000 0.947 346 D CB 0.477 41.238 40.800 -0.066 0.000 1.048 346 D HN 0.597 nan 8.370 nan 0.000 0.512 347 E N 2.873 123.180 120.200 0.179 0.000 2.204 347 E HA -0.152 4.198 4.350 0.001 0.000 0.194 347 E C 1.077 177.777 176.600 0.168 0.000 0.989 347 E CA 0.511 57.071 56.400 0.266 0.000 0.824 347 E CB 0.077 30.005 29.700 0.380 0.000 0.756 347 E HN 0.354 nan 8.360 nan 0.000 0.477 348 R N 0.528 121.097 120.500 0.114 0.000 2.276 348 R HA 0.234 4.575 4.340 0.001 0.000 0.196 348 R C 0.465 176.899 176.300 0.224 0.000 0.961 348 R CA 0.509 56.638 56.100 0.049 0.000 1.024 348 R CB 0.157 30.251 30.300 -0.344 0.000 0.940 348 R HN 0.212 nan 8.270 nan 0.000 0.480 349 A N 1.272 124.257 122.820 0.275 0.000 2.237 349 A HA -0.231 4.089 4.320 0.001 0.000 0.281 349 A C -0.730 177.102 177.584 0.414 0.000 1.414 349 A CA 0.493 52.739 52.037 0.348 0.000 0.733 349 A CB -1.896 17.272 19.000 0.279 0.000 1.168 349 A HN 0.323 nan 8.150 nan 0.000 0.347 350 Y N 1.267 121.698 120.300 0.217 0.000 2.374 350 Y HA 0.575 5.125 4.550 0.001 0.000 0.322 350 Y C -1.673 174.139 175.900 -0.146 0.000 1.275 350 Y CA -1.845 56.261 58.100 0.010 0.000 1.307 350 Y CB 0.868 39.279 38.460 -0.083 0.000 1.282 350 Y HN 0.424 nan 8.280 nan 0.000 0.509 351 P HA 0.004 nan 4.420 nan 0.000 0.276 351 P C -1.329 175.633 177.300 -0.563 0.000 1.235 351 P CA 0.062 62.845 63.100 -0.527 0.000 0.772 351 P CB 0.386 31.941 31.700 -0.243 0.000 0.871 352 W N 2.656 123.533 121.300 -0.705 0.000 2.666 352 W HA 0.480 5.141 4.660 0.001 0.000 0.334 352 W C 1.535 177.992 176.519 -0.104 0.000 1.051 352 W CA -0.525 56.670 57.345 -0.250 0.000 1.224 352 W CB 1.852 31.348 29.460 0.060 0.000 1.405 352 W HN 0.331 nan 8.180 nan 0.000 0.513 353 R N 0.546 121.053 120.500 0.012 0.000 2.312 353 R HA 0.119 4.459 4.340 0.001 0.000 0.205 353 R C -0.169 176.248 176.300 0.196 0.000 0.904 353 R CA 0.769 56.889 56.100 0.033 0.000 1.052 353 R CB 0.479 30.629 30.300 -0.250 0.000 1.014 353 R HN 0.427 nan 8.270 nan 0.000 0.503 354 E N 0.277 120.610 120.200 0.222 0.000 2.459 354 E HA 0.265 4.616 4.350 0.001 0.000 0.275 354 E C -0.767 175.741 176.600 -0.153 0.000 0.987 354 E CA -0.692 55.749 56.400 0.068 0.000 0.828 354 E CB 1.415 31.189 29.700 0.123 0.000 1.428 354 E HN 0.030 nan 8.360 nan 0.000 0.457 355 E N -0.658 119.129 120.200 -0.688 0.000 8.943 355 E HA -0.161 4.190 4.350 0.001 0.000 0.507 355 E C -0.974 174.835 176.600 -1.319 0.000 1.371 355 E CA 0.292 56.172 56.400 -0.867 0.000 2.442 355 E CB -1.072 28.292 29.700 -0.559 0.000 1.008 355 E HN 0.336 nan 8.360 nan 0.000 0.263 356 F N 0.934 120.485 119.950 -0.664 0.000 2.399 356 F HA 0.305 4.832 4.527 0.001 0.000 0.342 356 F C 1.255 176.586 175.800 -0.782 0.000 1.106 356 F CA 0.189 57.904 58.000 -0.475 0.000 1.196 356 F CB 0.673 39.545 39.000 -0.213 0.000 1.163 356 F HN 0.145 nan 8.300 nan 0.000 0.547 357 H N 4.178 123.146 119.070 -0.169 0.000 2.727 357 H HA 0.394 4.950 4.556 0.001 0.000 0.330 357 H C -1.205 173.910 175.328 -0.355 0.000 0.986 357 H CA -0.722 55.138 56.048 -0.313 0.000 1.251 357 H CB 1.697 31.127 29.762 -0.553 0.000 1.493 357 H HN 0.339 nan 8.280 nan 0.000 0.515 358 L N 4.765 125.891 121.223 -0.162 0.000 2.296 358 L HA 0.353 4.694 4.340 0.001 0.000 0.286 358 L C -0.313 176.629 176.870 0.121 0.000 1.023 358 L CA -0.182 54.595 54.840 -0.106 0.000 0.812 358 L CB 1.298 43.098 42.059 -0.432 0.000 1.223 358 L HN 0.371 nan 8.230 nan 0.000 0.421 359 L N 5.213 126.587 121.223 0.250 0.000 2.349 359 L HA 0.574 4.914 4.340 0.001 0.000 0.278 359 L C -2.282 174.780 176.870 0.319 0.000 0.996 359 L CA -2.019 52.978 54.840 0.262 0.000 0.825 359 L CB 1.722 43.830 42.059 0.081 0.000 1.243 359 L HN 0.341 nan 8.230 nan 0.000 0.412 360 P HA 0.047 nan 4.420 nan 0.000 0.265 360 P C -0.661 176.549 177.300 -0.150 0.000 1.193 360 P CA -0.002 62.953 63.100 -0.240 0.000 0.765 360 P CB 0.595 32.190 31.700 -0.174 0.000 0.823 361 K N 1.477 121.665 120.400 -0.353 0.000 2.219 361 K HA 0.081 4.401 4.320 0.001 0.000 0.258 361 K C 0.657 177.154 176.600 -0.172 0.000 1.008 361 K CA -0.418 55.699 56.287 -0.283 0.000 0.928 361 K CB 0.419 32.692 32.500 -0.378 0.000 0.983 361 K HN 0.484 nan 8.250 nan 0.000 0.484 362 E N 0.319 120.506 120.200 -0.022 0.000 2.480 362 E HA -0.078 4.273 4.350 0.001 0.000 0.258 362 E C 0.531 177.113 176.600 -0.030 0.000 0.984 362 E CA 0.887 57.292 56.400 0.008 0.000 0.930 362 E CB 0.116 29.860 29.700 0.073 0.000 0.936 362 E HN 0.793 nan 8.360 nan 0.000 0.466 363 G N 2.835 111.609 108.800 -0.044 0.000 2.175 363 G HA2 -0.261 3.699 3.960 0.001 0.000 0.244 363 G HA3 -0.261 3.699 3.960 0.001 0.000 0.244 363 G C 0.160 174.976 174.900 -0.141 0.000 0.982 363 G CA 0.082 45.170 45.100 -0.021 0.000 0.641 363 G HN 0.516 nan 8.290 nan 0.000 0.527 364 V N 1.462 121.186 119.914 -0.316 0.000 2.488 364 V HA 0.488 4.608 4.120 0.001 0.000 0.277 364 V C 0.990 177.001 176.094 -0.139 0.000 1.046 364 V CA -0.066 62.022 62.300 -0.354 0.000 0.986 364 V CB 1.080 32.576 31.823 -0.545 0.000 0.989 364 V HN 0.388 nan 8.190 nan 0.000 0.475 365 R N 4.678 125.159 120.500 -0.031 0.000 2.368 365 R HA 0.738 5.078 4.340 0.001 0.000 0.302 365 R C -0.986 175.327 176.300 0.021 0.000 1.002 365 R CA -0.446 55.664 56.100 0.017 0.000 0.929 365 R CB 1.167 31.505 30.300 0.064 0.000 1.073 365 R HN 0.632 nan 8.270 nan 0.000 0.464 366 L N -0.761 120.475 121.223 0.022 0.000 2.393 366 L HA 0.579 4.919 4.340 0.001 0.000 0.260 366 L C -0.830 176.066 176.870 0.044 0.000 1.002 366 L CA -0.998 53.879 54.840 0.062 0.000 0.818 366 L CB 1.602 43.722 42.059 0.102 0.000 1.369 366 L HN 0.335 nan 8.230 nan 0.000 0.412 367 D N 1.476 121.920 120.400 0.074 0.000 2.485 367 D HA 0.444 5.084 4.640 0.001 0.000 0.229 367 D C -1.973 174.348 176.300 0.035 0.000 1.101 367 D CA -2.005 52.017 54.000 0.037 0.000 0.906 367 D CB 1.631 42.466 40.800 0.059 0.000 1.019 367 D HN 0.308 nan 8.370 nan 0.000 0.516 368 P HA -0.176 nan 4.420 nan 0.000 0.215 368 P C 1.453 178.699 177.300 -0.090 0.000 1.157 368 P CA 1.314 64.309 63.100 -0.175 0.000 0.874 368 P CB 0.140 31.407 31.700 -0.720 0.000 0.790 369 S N -0.452 115.186 115.700 -0.104 0.000 2.383 369 S HA -0.148 4.322 4.470 0.001 0.000 0.227 369 S C 2.147 176.780 174.600 0.056 0.000 1.026 369 S CA 1.638 59.823 58.200 -0.024 0.000 0.981 369 S CB -1.650 61.532 63.200 -0.030 0.000 0.818 369 S HN 0.294 nan 8.310 nan 0.000 0.472 370 S N 1.763 117.524 115.700 0.101 0.000 2.406 370 S HA 0.144 4.615 4.470 0.001 0.000 0.228 370 S C 1.895 176.605 174.600 0.184 0.000 1.020 370 S CA 0.518 58.841 58.200 0.205 0.000 0.965 370 S CB -0.786 62.589 63.200 0.291 0.000 0.798 370 S HN 0.479 nan 8.310 nan 0.000 0.488 371 L N 1.308 122.633 121.223 0.171 0.000 2.017 371 L HA -0.049 4.291 4.340 0.001 0.000 0.208 371 L C 2.541 179.435 176.870 0.040 0.000 1.073 371 L CA 1.507 56.403 54.840 0.093 0.000 0.745 371 L CB -0.567 41.617 42.059 0.207 0.000 0.894 371 L HN 0.276 nan 8.230 nan 0.000 0.432 372 V N -0.074 119.876 119.914 0.061 0.000 2.287 372 V HA -0.366 3.755 4.120 0.001 0.000 0.248 372 V C 2.476 178.578 176.094 0.013 0.000 1.053 372 V CA 2.160 64.484 62.300 0.042 0.000 1.027 372 V CB -0.606 31.270 31.823 0.088 0.000 0.646 372 V HN 0.590 nan 8.190 nan 0.000 0.447 373 Q N -0.875 118.949 119.800 0.041 0.000 2.061 373 Q HA -0.280 4.060 4.340 0.001 0.000 0.204 373 Q C 2.232 178.246 176.000 0.024 0.000 0.984 373 Q CA 2.475 58.307 55.803 0.048 0.000 0.846 373 Q CB -0.306 28.488 28.738 0.093 0.000 0.902 373 Q HN 0.834 nan 8.270 nan 0.000 0.421 374 W N 0.840 121.978 121.300 -0.271 0.000 2.355 374 W HA -0.214 4.446 4.660 0.000 0.000 0.309 374 W C 1.444 177.824 176.519 -0.232 0.000 1.206 374 W CA 0.995 58.102 57.345 -0.396 0.000 1.284 374 W CB -0.219 28.614 29.460 -1.046 0.000 1.145 374 W HN 0.219 nan 8.180 nan 0.000 0.502 375 L N 1.196 122.196 121.223 -0.373 0.000 2.079 375 L HA -0.264 4.077 4.340 0.001 0.000 0.210 375 L C 1.831 178.503 176.870 -0.330 0.000 1.081 375 L CA 1.314 55.904 54.840 -0.417 0.000 0.752 375 L CB -0.992 40.940 42.059 -0.212 0.000 0.896 375 L HN -0.005 nan 8.230 nan 0.000 0.433 376 N N -0.200 118.377 118.700 -0.206 0.000 2.398 376 N HA -0.005 4.735 4.740 0.001 0.000 0.188 376 N C 0.649 176.076 175.510 -0.139 0.000 1.122 376 N CA 0.225 53.193 53.050 -0.137 0.000 0.866 376 N CB 0.105 38.560 38.487 -0.054 0.000 0.970 376 N HN 0.295 nan 8.380 nan 0.000 0.462 377 S N -0.077 115.494 115.700 -0.215 0.000 2.585 377 S HA 0.064 4.534 4.470 0.001 0.000 0.273 377 S C 1.280 175.793 174.600 -0.146 0.000 1.339 377 S CA -0.559 57.554 58.200 -0.145 0.000 1.028 377 S CB 1.932 65.064 63.200 -0.114 0.000 0.906 377 S HN 0.245 nan 8.310 nan 0.000 0.528 378 E N 1.833 121.995 120.200 -0.064 0.000 2.130 378 E HA -0.225 4.125 4.350 0.001 0.000 0.196 378 E C 2.119 178.683 176.600 -0.060 0.000 0.998 378 E CA 1.358 57.730 56.400 -0.047 0.000 0.806 378 E CB -0.593 29.102 29.700 -0.007 0.000 0.738 378 E HN 0.872 nan 8.360 nan 0.000 0.459 379 A N 0.668 123.454 122.820 -0.056 0.000 1.908 379 A HA -0.224 4.097 4.320 0.001 0.000 0.218 379 A C 2.100 179.600 177.584 -0.139 0.000 1.181 379 A CA 1.857 53.875 52.037 -0.032 0.000 0.627 379 A CB -0.538 18.519 19.000 0.096 0.000 0.818 379 A HN 0.396 nan 8.150 nan 0.000 0.445 380 M N -0.567 118.810 119.600 -0.371 0.000 2.132 380 M HA -0.125 4.355 4.480 0.001 0.000 0.263 380 M C 2.027 178.237 176.300 -0.150 0.000 1.065 380 M CA 1.641 56.703 55.300 -0.397 0.000 1.122 380 M CB -0.496 31.698 32.600 -0.676 0.000 1.365 380 M HN 0.395 nan 8.290 nan 0.000 0.411 381 Q N 0.239 119.958 119.800 -0.135 0.000 2.084 381 Q HA -0.217 4.124 4.340 0.001 0.000 0.202 381 Q C 2.173 178.144 176.000 -0.047 0.000 0.978 381 Q CA 1.709 57.465 55.803 -0.079 0.000 0.844 381 Q CB -0.913 27.782 28.738 -0.073 0.000 0.898 381 Q HN 0.614 nan 8.270 nan 0.000 0.426 382 K N -0.104 120.278 120.400 -0.031 0.000 2.097 382 K HA -0.217 4.103 4.320 0.001 0.000 0.206 382 K C 2.070 178.671 176.600 0.003 0.000 1.049 382 K CA 1.386 57.665 56.287 -0.014 0.000 0.933 382 K CB -0.109 32.397 32.500 0.009 0.000 0.717 382 K HN 0.226 nan 8.250 nan 0.000 0.442 383 H N 0.507 119.539 119.070 -0.064 0.000 2.293 383 H HA -0.115 4.441 4.556 0.001 0.000 0.300 383 H C 1.836 177.123 175.328 -0.067 0.000 1.082 383 H CA 2.500 58.519 56.048 -0.049 0.000 1.308 383 H CB -0.194 29.547 29.762 -0.036 0.000 1.375 383 H HN 0.093 nan 8.280 nan 0.000 0.495 384 V N -0.988 118.883 119.914 -0.071 0.000 2.453 384 V HA -0.081 4.039 4.120 0.001 0.000 0.247 384 V C 2.471 178.503 176.094 -0.103 0.000 1.048 384 V CA 1.993 64.269 62.300 -0.040 0.000 1.049 384 V CB -0.774 31.113 31.823 0.107 0.000 0.672 384 V HN 0.321 nan 8.190 nan 0.000 0.457 385 R N 0.567 120.994 120.500 -0.121 0.000 2.092 385 R HA -0.115 4.225 4.340 0.001 0.000 0.231 385 R C 2.338 178.483 176.300 -0.258 0.000 1.119 385 R CA 2.077 58.077 56.100 -0.166 0.000 0.970 385 R CB -0.607 29.619 30.300 -0.123 0.000 0.864 385 R HN 0.630 nan 8.270 nan 0.000 0.440 386 T N 1.292 115.704 114.554 -0.238 0.000 2.674 386 T HA -0.119 4.231 4.350 0.001 0.000 0.265 386 T C 1.788 176.271 174.700 -0.362 0.000 1.039 386 T CA 1.459 63.411 62.100 -0.247 0.000 1.150 386 T CB -0.169 68.623 68.868 -0.126 0.000 0.864 386 T HN 0.153 nan 8.240 nan 0.000 0.427 387 L N -0.791 120.120 121.223 -0.520 0.000 2.056 387 L HA -0.069 4.271 4.340 0.001 0.000 0.207 387 L C 1.876 178.239 176.870 -0.845 0.000 1.078 387 L CA 1.467 55.836 54.840 -0.785 0.000 0.749 387 L CB -0.318 40.918 42.059 -1.371 0.000 0.901 387 L HN 0.334 nan 8.230 nan 0.000 0.433 388 Y N -1.937 118.103 120.300 -0.434 0.000 2.500 388 Y HA 0.246 4.797 4.550 0.001 0.000 0.246 388 Y C 1.328 176.512 175.900 -1.194 0.000 1.146 388 Y CA -0.987 56.665 58.100 -0.746 0.000 1.230 388 Y CB -0.004 38.229 38.460 -0.379 0.000 1.214 388 Y HN -0.012 nan 8.280 nan 0.000 0.526 389 R N 0.929 120.978 120.500 -0.751 0.000 3.707 389 R HA -0.289 4.051 4.340 0.001 0.000 0.504 389 R C -0.051 176.001 176.300 -0.413 0.000 0.241 389 R CA 2.097 57.805 56.100 -0.653 0.000 1.576 389 R CB -1.368 28.390 30.300 -0.902 0.000 0.924 389 R HN 0.441 nan 8.270 nan 0.000 0.597 390 D N -0.251 119.985 120.400 -0.273 0.000 2.720 390 D HA 0.140 4.781 4.640 0.001 0.000 0.285 390 D C 0.804 177.189 176.300 0.142 0.000 1.359 390 D CA -0.241 53.734 54.000 -0.042 0.000 0.818 390 D CB -0.120 40.697 40.800 0.030 0.000 1.108 390 D HN 0.185 nan 8.370 nan 0.000 0.474 391 F N 1.442 121.432 119.950 0.068 0.000 2.091 391 F HA -0.047 4.480 4.527 0.001 0.000 0.299 391 F C 1.520 177.340 175.800 0.033 0.000 1.103 391 F CA 0.503 58.538 58.000 0.059 0.000 1.228 391 F CB -0.779 38.240 39.000 0.032 0.000 0.984 391 F HN 0.070 nan 8.300 nan 0.000 0.477 392 V N -3.847 116.197 119.914 0.216 0.000 3.040 392 V HA 0.487 4.607 4.120 0.001 0.000 0.312 392 V C -2.323 173.775 176.094 0.008 0.000 1.115 392 V CA -1.681 60.697 62.300 0.129 0.000 0.998 392 V CB 1.927 33.862 31.823 0.188 0.000 1.042 392 V HN -0.164 nan 8.190 nan 0.000 0.433 393 P HA 0.262 nan 4.420 nan 0.000 0.255 393 P C -0.311 176.678 177.300 -0.517 0.000 1.427 393 P CA 0.494 63.411 63.100 -0.305 0.000 0.863 393 P CB -0.463 31.018 31.700 -0.365 0.000 1.444 394 H N -1.124 117.886 119.070 -0.100 0.000 2.821 394 H HA 0.445 5.001 4.556 0.001 0.000 0.373 394 H C -0.706 174.587 175.328 -0.059 0.000 1.165 394 H CA -1.060 54.884 56.048 -0.174 0.000 1.154 394 H CB 1.559 31.121 29.762 -0.334 0.000 1.765 394 H HN -0.142 nan 8.280 nan 0.000 0.549 395 L N 2.610 123.931 121.223 0.164 0.000 2.315 395 L HA 0.264 4.604 4.340 0.001 0.000 0.283 395 L C 0.266 177.363 176.870 0.378 0.000 1.089 395 L CA 0.034 54.974 54.840 0.168 0.000 0.833 395 L CB 0.185 42.337 42.059 0.155 0.000 1.170 395 L HN 0.845 nan 8.230 nan 0.000 0.442 396 T N 1.516 116.174 114.554 0.173 0.000 2.912 396 T HA 0.244 4.594 4.350 0.001 0.000 0.280 396 T C 1.050 175.767 174.700 0.028 0.000 0.989 396 T CA -0.568 61.688 62.100 0.259 0.000 0.995 396 T CB 0.938 69.876 68.868 0.117 0.000 1.077 396 T HN 0.575 nan 8.240 nan 0.000 0.531 397 L N 0.647 121.901 121.223 0.053 0.000 2.042 397 L HA -0.014 4.327 4.340 0.001 0.000 0.210 397 L C 2.670 179.459 176.870 -0.135 0.000 1.076 397 L CA 1.665 56.407 54.840 -0.163 0.000 0.749 397 L CB -0.774 41.295 42.059 0.016 0.000 0.893 397 L HN 0.582 nan 8.230 nan 0.000 0.432 398 R N -0.783 119.681 120.500 -0.060 0.000 2.120 398 R HA -0.100 4.241 4.340 0.001 0.000 0.234 398 R C 2.105 178.361 176.300 -0.074 0.000 1.123 398 R CA 1.842 57.918 56.100 -0.040 0.000 0.975 398 R CB -0.702 29.597 30.300 -0.001 0.000 0.866 398 R HN 0.492 nan 8.270 nan 0.000 0.446 399 M N -0.145 119.343 119.600 -0.187 0.000 2.123 399 M HA -0.120 4.360 4.480 0.001 0.000 0.263 399 M C 2.182 178.420 176.300 -0.103 0.000 1.069 399 M CA 1.109 56.262 55.300 -0.245 0.000 1.133 399 M CB -0.396 31.889 32.600 -0.525 0.000 1.356 399 M HN 0.008 nan 8.290 nan 0.000 0.415 400 L N 0.919 122.026 121.223 -0.193 0.000 2.012 400 L HA -0.174 4.167 4.340 0.001 0.000 0.210 400 L C 2.091 178.881 176.870 -0.133 0.000 1.073 400 L CA 1.976 56.679 54.840 -0.228 0.000 0.748 400 L CB -0.666 41.082 42.059 -0.517 0.000 0.891 400 L HN 0.282 nan 8.230 nan 0.000 0.431 401 E N -0.659 119.474 120.200 -0.112 0.000 2.130 401 E HA -0.246 4.104 4.350 0.001 0.000 0.196 401 E C 2.021 178.639 176.600 0.031 0.000 0.998 401 E CA 1.332 57.712 56.400 -0.033 0.000 0.806 401 E CB -0.102 29.590 29.700 -0.014 0.000 0.738 401 E HN 0.512 nan 8.360 nan 0.000 0.459 402 R N 0.298 120.831 120.500 0.056 0.000 2.310 402 R HA 0.128 4.468 4.340 0.001 0.000 0.202 402 R C 0.339 176.731 176.300 0.153 0.000 0.933 402 R CA -0.097 56.071 56.100 0.114 0.000 1.054 402 R CB 0.053 30.445 30.300 0.154 0.000 0.985 402 R HN 0.126 nan 8.270 nan 0.000 0.489 403 L N 4.223 125.521 121.223 0.126 0.000 2.513 403 L HA 0.079 4.419 4.340 0.001 0.000 0.272 403 L C -1.948 175.026 176.870 0.173 0.000 1.187 403 L CA -1.457 53.471 54.840 0.147 0.000 0.895 403 L CB 0.025 42.126 42.059 0.070 0.000 1.147 403 L HN -0.209 nan 8.230 nan 0.000 0.483 404 P HA 0.174 nan 4.420 nan 0.000 0.280 404 P C -0.909 176.605 177.300 0.355 0.000 1.244 404 P CA -0.246 62.981 63.100 0.212 0.000 0.784 404 P CB 1.581 33.366 31.700 0.142 0.000 0.913 405 V N 4.589 124.650 119.914 0.245 0.000 2.409 405 V HA 0.337 4.458 4.120 0.001 0.000 0.290 405 V C 0.938 177.099 176.094 0.112 0.000 1.017 405 V CA -0.755 61.686 62.300 0.236 0.000 0.841 405 V CB 1.193 33.185 31.823 0.283 0.000 1.003 405 V HN 0.601 nan 8.190 nan 0.000 0.426 406 R N 3.986 124.497 120.500 0.018 0.000 2.574 406 R HA 0.511 4.852 4.340 0.001 0.000 0.266 406 R C 0.744 177.000 176.300 -0.074 0.000 1.157 406 R CA -0.651 55.408 56.100 -0.069 0.000 1.187 406 R CB 1.048 31.232 30.300 -0.194 0.000 1.179 406 R HN 0.460 nan 8.270 nan 0.000 0.600 407 R N 0.004 120.461 120.500 -0.071 0.000 2.237 407 R HA -0.139 4.201 4.340 0.001 0.000 0.219 407 R C 1.867 178.085 176.300 -0.136 0.000 1.080 407 R CA 1.501 57.611 56.100 0.016 0.000 0.995 407 R CB -0.267 30.097 30.300 0.107 0.000 0.875 407 R HN 0.738 nan 8.270 nan 0.000 0.462 408 E N 0.297 120.259 120.200 -0.396 0.000 2.118 408 E HA -0.214 4.136 4.350 0.001 0.000 0.195 408 E C 0.762 177.073 176.600 -0.481 0.000 0.992 408 E CA 1.603 57.646 56.400 -0.596 0.000 0.804 408 E CB 0.019 29.079 29.700 -1.067 0.000 0.741 408 E HN 0.414 nan 8.360 nan 0.000 0.458 409 Y N -1.547 118.734 120.300 -0.033 0.000 2.559 409 Y HA 0.480 5.030 4.550 0.001 0.000 0.279 409 Y C 1.143 177.084 175.900 0.068 0.000 1.117 409 Y CA 0.353 58.464 58.100 0.018 0.000 1.263 409 Y CB 0.538 39.008 38.460 0.017 0.000 1.230 409 Y HN 0.066 nan 8.280 nan 0.000 0.528 410 G N -0.857 108.067 108.800 0.207 0.000 2.720 410 G HA2 0.493 4.454 3.960 0.001 0.000 0.295 410 G HA3 0.493 4.454 3.960 0.001 0.000 0.295 410 G C -2.268 172.747 174.900 0.191 0.000 1.437 410 G CA -0.564 44.638 45.100 0.171 0.000 0.886 410 G HN -0.094 nan 8.290 nan 0.000 0.509 411 F N 0.567 120.504 119.950 -0.021 0.000 2.605 411 F HA 0.514 5.041 4.527 0.001 0.000 0.320 411 F C -0.954 174.841 175.800 -0.009 0.000 1.159 411 F CA -0.730 57.266 58.000 -0.007 0.000 0.999 411 F CB 2.010 40.999 39.000 -0.018 0.000 1.258 411 F HN 0.641 nan 8.300 nan 0.000 0.464 412 H N 3.880 122.643 119.070 -0.513 0.000 2.594 412 H HA 0.446 5.002 4.556 0.001 0.000 0.304 412 H C 0.132 175.259 175.328 -0.336 0.000 1.068 412 H CA -0.222 55.634 56.048 -0.321 0.000 1.308 412 H CB 1.064 30.655 29.762 -0.284 0.000 1.409 412 H HN 0.757 nan 8.280 nan 0.000 0.460 413 T N 0.000 114.704 114.554 0.250 0.000 3.816 413 T HA 0.000 4.350 4.350 0.001 0.000 0.228 413 T CA 0.000 62.263 62.100 0.271 0.000 1.349 413 T CB 0.000 69.025 68.868 0.262 0.000 0.612 413 T HN 0.000 nan 8.240 nan 0.000 0.658