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 3dru_1_A DATA FIRST_RESID 24 DATA SEQUENCE NKITPNLAEF AFSLYRQLAH QSNSTNIFFS PVSIATAFAM LSLGTKADTH DATA SEQUENCE DEILEGLNFN LTEIPEAQIH EGFQELLRTL NQPDSQLQLT TGNFLFLSEG DATA SEQUENCE LKLVDKFLED VKKLYHSEAF TVNFGDTEEA KKQINDYVEK GTQGKIVDLV DATA SEQUENCE KELDRDTVFA LVNYIFFKGK WERPFEVKDT EEEDFHVDQV TTVKVPMMKR DATA SEQUENCE LGMFNIQHCK KLSSWVLLMK YLGNATAIFF LPDEGKLQHL ENELTHDIIT DATA SEQUENCE KFLENEDRRS ASLHLPKLSI TGTYDLKSVL GQLGITKVFS NGADLSGVTE DATA SEQUENCE EAPLKLSKAV HKAVLTIDEK GTEAAXXXXX XXXPMSIPPE VKFNKPFVFL DATA SEQUENCE MIEQNTKSPL FMGKVVNPTQ K 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 24 N HA 0.000 nan 4.740 nan 0.000 0.220 24 N C 0.000 175.496 175.510 -0.023 0.000 1.280 24 N CA 0.000 53.041 53.050 -0.014 0.000 0.885 24 N CB 0.000 38.474 38.487 -0.022 0.000 1.341 25 K N 0.994 121.370 120.400 -0.041 0.000 2.668 25 K HA 0.223 4.664 4.320 0.203 0.000 0.142 25 K C -0.232 176.346 176.600 -0.037 0.000 1.271 25 K CA 0.236 56.499 56.287 -0.039 0.000 1.123 25 K CB -0.078 32.396 32.500 -0.044 0.000 1.100 25 K HN 0.556 nan 8.250 nan 0.000 0.438 26 I N -3.338 117.198 120.570 -0.056 0.000 4.655 26 I HA 0.161 4.452 4.170 0.203 0.000 0.333 26 I C 1.243 177.294 176.117 -0.111 0.000 1.312 26 I CA -0.179 61.105 61.300 -0.026 0.000 1.270 26 I CB 0.199 38.173 38.000 -0.043 0.000 1.318 26 I HN -0.282 nan 8.210 nan 0.000 0.456 27 T N 2.547 117.038 114.554 -0.106 0.000 2.653 27 T HA -0.106 4.366 4.350 0.203 0.000 0.268 27 T C -0.448 174.072 174.700 -0.302 0.000 1.035 27 T CA 2.112 64.132 62.100 -0.133 0.000 1.154 27 T CB -1.756 67.086 68.868 -0.043 0.000 0.862 27 T HN 0.290 nan 8.240 nan 0.000 0.441 28 P HA -0.110 nan 4.420 nan 0.000 0.217 28 P C 1.128 178.210 177.300 -0.364 0.000 1.151 28 P CA 1.214 64.039 63.100 -0.459 0.000 0.849 28 P CB -0.223 31.348 31.700 -0.215 0.000 0.787 29 N N -1.283 117.235 118.700 -0.303 0.000 2.439 29 N HA 0.070 4.932 4.740 0.203 0.000 0.176 29 N C 1.724 177.040 175.510 -0.323 0.000 1.029 29 N CA 0.413 53.249 53.050 -0.357 0.000 0.886 29 N CB -0.464 37.660 38.487 -0.606 0.000 1.057 29 N HN 0.127 nan 8.380 nan 0.000 0.437 30 L N 1.501 122.559 121.223 -0.274 0.000 2.083 30 L HA -0.069 4.393 4.340 0.203 0.000 0.209 30 L C 2.760 179.532 176.870 -0.163 0.000 1.083 30 L CA 0.809 55.569 54.840 -0.133 0.000 0.752 30 L CB -0.586 41.434 42.059 -0.065 0.000 0.899 30 L HN 0.178 nan 8.230 nan 0.000 0.433 31 A N 0.111 122.765 122.820 -0.277 0.000 1.873 31 A HA -0.224 4.218 4.320 0.203 0.000 0.218 31 A C 2.218 179.479 177.584 -0.539 0.000 1.193 31 A CA 1.733 53.514 52.037 -0.426 0.000 0.629 31 A CB -0.417 18.384 19.000 -0.332 0.000 0.826 31 A HN 0.361 nan 8.150 nan 0.000 0.447 32 E N -1.070 118.983 120.200 -0.246 0.000 2.106 32 E HA -0.156 4.316 4.350 0.203 0.000 0.192 32 E C 1.777 178.342 176.600 -0.059 0.000 0.984 32 E CA 1.065 57.424 56.400 -0.068 0.000 0.806 32 E CB -0.548 29.148 29.700 -0.007 0.000 0.750 32 E HN 0.675 nan 8.360 nan 0.000 0.458 33 F N 2.073 121.893 119.950 -0.217 0.000 2.091 33 F HA -0.244 4.415 4.527 0.219 0.000 0.299 33 F C 2.286 178.013 175.800 -0.122 0.000 1.103 33 F CA 1.593 59.490 58.000 -0.172 0.000 1.228 33 F CB -0.592 38.286 39.000 -0.203 0.000 0.984 33 F HN -0.009 nan 8.300 nan 0.000 0.477 34 A N 0.554 123.228 122.820 -0.244 0.000 1.884 34 A HA -0.242 4.200 4.320 0.203 0.000 0.219 34 A C 2.144 179.642 177.584 -0.143 0.000 1.197 34 A CA 2.270 54.129 52.037 -0.297 0.000 0.637 34 A CB -1.593 17.132 19.000 -0.458 0.000 0.827 34 A HN 0.429 nan 8.150 nan 0.000 0.450 35 F N 1.090 120.996 119.950 -0.073 0.000 2.051 35 F HA -0.139 4.509 4.527 0.201 0.000 0.296 35 F C 3.028 178.801 175.800 -0.045 0.000 1.122 35 F CA 1.366 59.332 58.000 -0.057 0.000 1.201 35 F CB -1.286 37.664 39.000 -0.084 0.000 0.978 35 F HN 0.352 nan 8.300 nan 0.000 0.472 36 S N 0.113 115.860 115.700 0.078 0.000 2.469 36 S HA -0.138 4.454 4.470 0.203 0.000 0.238 36 S C 1.860 176.364 174.600 -0.160 0.000 0.998 36 S CA 1.015 59.195 58.200 -0.033 0.000 0.957 36 S CB -0.750 62.422 63.200 -0.047 0.000 0.764 36 S HN 0.297 nan 8.310 nan 0.000 0.514 37 L N 0.248 121.305 121.223 -0.277 0.000 2.202 37 L HA 0.273 4.735 4.340 0.203 0.000 0.205 37 L C 2.064 178.725 176.870 -0.349 0.000 1.083 37 L CA 1.169 55.733 54.840 -0.461 0.000 0.790 37 L CB -1.265 40.333 42.059 -0.768 0.000 0.942 37 L HN 0.360 nan 8.230 nan 0.000 0.452 38 Y N 1.616 121.803 120.300 -0.188 0.000 2.163 38 Y HA -0.197 4.357 4.550 0.006 0.000 0.288 38 Y C 2.216 178.049 175.900 -0.111 0.000 1.136 38 Y CA 1.955 60.002 58.100 -0.089 0.000 1.147 38 Y CB -0.118 38.428 38.460 0.144 0.000 0.987 38 Y HN 0.241 nan 8.280 nan 0.000 0.509 39 R N 0.201 120.773 120.500 0.120 0.000 2.343 39 R HA -0.062 4.399 4.340 0.203 0.000 0.202 39 R C 1.320 177.562 176.300 -0.097 0.000 1.023 39 R CA 0.860 56.978 56.100 0.029 0.000 1.084 39 R CB -0.218 30.133 30.300 0.086 0.000 0.956 39 R HN 0.372 nan 8.270 nan 0.000 0.478 40 Q N 0.668 120.351 119.800 -0.195 0.000 2.423 40 Q HA 0.198 4.660 4.340 0.203 0.000 0.231 40 Q C 1.571 177.447 176.000 -0.206 0.000 0.894 40 Q CA 0.560 56.247 55.803 -0.193 0.000 0.938 40 Q CB 0.460 29.052 28.738 -0.243 0.000 1.079 40 Q HN 0.383 nan 8.270 nan 0.000 0.552 41 L N -0.615 120.396 121.223 -0.353 0.000 2.416 41 L HA 0.330 4.792 4.340 0.203 0.000 0.216 41 L C 2.048 178.767 176.870 -0.252 0.000 1.098 41 L CA 0.737 55.376 54.840 -0.335 0.000 0.840 41 L CB -0.255 41.455 42.059 -0.581 0.000 0.981 41 L HN 0.149 nan 8.230 nan 0.000 0.462 42 A N -0.676 121.934 122.820 -0.350 0.000 1.935 42 A HA -0.186 4.255 4.320 0.203 0.000 0.214 42 A C 2.273 179.789 177.584 -0.112 0.000 1.178 42 A CA 0.892 52.760 52.037 -0.283 0.000 0.640 42 A CB -0.812 17.919 19.000 -0.449 0.000 0.825 42 A HN 0.462 nan 8.150 nan 0.000 0.447 43 H N 0.812 119.789 119.070 -0.155 0.000 2.422 43 H HA -0.155 4.509 4.556 0.181 0.000 0.298 43 H C 1.681 176.964 175.328 -0.074 0.000 1.098 43 H CA 1.744 57.736 56.048 -0.093 0.000 1.315 43 H CB 0.055 29.762 29.762 -0.091 0.000 1.382 43 H HN 0.737 nan 8.280 nan 0.000 0.523 44 Q N 0.763 120.489 119.800 -0.123 0.000 2.282 44 Q HA 0.069 4.530 4.340 0.203 0.000 0.205 44 Q C -0.442 175.490 176.000 -0.113 0.000 0.915 44 Q CA 0.389 56.107 55.803 -0.142 0.000 0.949 44 Q CB 0.309 29.024 28.738 -0.039 0.000 1.035 44 Q HN 0.341 nan 8.270 nan 0.000 0.484 45 S N -0.942 114.691 115.700 -0.110 0.000 2.810 45 S HA 0.026 4.618 4.470 0.203 0.000 0.155 45 S C -1.161 173.415 174.600 -0.040 0.000 0.649 45 S CA -0.698 57.464 58.200 -0.063 0.000 0.817 45 S CB -1.359 61.824 63.200 -0.029 0.000 1.488 45 S HN 0.377 nan 8.310 nan 0.000 0.504 46 N N 2.147 120.823 118.700 -0.040 0.000 2.509 46 N HA 0.222 5.084 4.740 0.203 0.000 0.239 46 N C 1.064 176.587 175.510 0.022 0.000 1.215 46 N CA 0.549 53.596 53.050 -0.005 0.000 0.882 46 N CB 0.121 38.606 38.487 -0.002 0.000 1.189 46 N HN 0.738 nan 8.380 nan 0.000 0.490 47 S N -3.227 112.487 115.700 0.022 0.000 2.817 47 S HA 0.188 4.780 4.470 0.203 0.000 0.262 47 S C 0.195 174.822 174.600 0.046 0.000 1.051 47 S CA -0.500 57.723 58.200 0.038 0.000 1.185 47 S CB 0.546 63.760 63.200 0.023 0.000 1.152 47 S HN -0.011 nan 8.310 nan 0.000 0.653 48 T N 2.747 117.328 114.554 0.045 0.000 2.930 48 T HA 0.535 5.006 4.350 0.203 0.000 0.290 48 T C -0.691 174.058 174.700 0.082 0.000 1.052 48 T CA -0.772 61.360 62.100 0.052 0.000 1.017 48 T CB 1.126 70.015 68.868 0.035 0.000 1.137 48 T HN 0.132 nan 8.240 nan 0.000 0.511 49 N N 0.565 119.322 118.700 0.094 0.000 2.467 49 N HA 0.470 5.332 4.740 0.203 0.000 0.262 49 N C -0.989 174.644 175.510 0.206 0.000 1.234 49 N CA -0.326 52.809 53.050 0.142 0.000 0.952 49 N CB 0.363 38.930 38.487 0.134 0.000 1.158 49 N HN 0.334 nan 8.380 nan 0.000 0.463 50 I N 1.259 121.999 120.570 0.283 0.000 2.499 50 I HA 0.382 4.673 4.170 0.203 0.000 0.288 50 I C -1.234 175.213 176.117 0.551 0.000 1.048 50 I CA -0.516 61.016 61.300 0.386 0.000 1.062 50 I CB 1.037 39.156 38.000 0.198 0.000 1.238 50 I HN 0.323 nan 8.210 nan 0.000 0.426 51 F N 9.265 129.524 119.950 0.515 0.000 2.689 51 F HA 0.710 5.353 4.527 0.193 0.000 0.332 51 F C -1.691 174.506 175.800 0.661 0.000 1.209 51 F CA -0.825 57.464 58.000 0.482 0.000 1.028 51 F CB 1.170 40.395 39.000 0.374 0.000 1.291 51 F HN 0.279 nan 8.300 nan 0.000 0.500 52 F N 2.217 121.896 119.950 -0.451 0.000 2.713 52 F HA 0.677 5.313 4.527 0.182 0.000 0.311 52 F C -1.485 174.228 175.800 -0.144 0.000 1.141 52 F CA -1.550 56.362 58.000 -0.147 0.000 0.939 52 F CB 1.115 40.139 39.000 0.040 0.000 1.325 52 F HN 0.274 nan 8.300 nan 0.000 0.453 53 S N 2.096 117.817 115.700 0.034 0.000 2.474 53 S HA 0.495 5.086 4.470 0.203 0.000 0.320 53 S C -2.108 172.357 174.600 -0.225 0.000 1.067 53 S CA -1.502 56.526 58.200 -0.286 0.000 1.127 53 S CB 0.798 63.845 63.200 -0.256 0.000 0.971 53 S HN 0.495 nan 8.310 nan 0.000 0.472 54 P HA -0.137 nan 4.420 nan 0.000 0.216 54 P C 1.437 178.750 177.300 0.021 0.000 1.150 54 P CA 0.881 63.965 63.100 -0.028 0.000 0.843 54 P CB 0.120 31.747 31.700 -0.121 0.000 0.787 55 V N -0.503 119.332 119.914 -0.132 0.000 2.358 55 V HA -0.220 4.021 4.120 0.203 0.000 0.246 55 V C 2.593 178.611 176.094 -0.127 0.000 1.047 55 V CA 2.299 64.539 62.300 -0.100 0.000 1.035 55 V CB -1.582 30.152 31.823 -0.149 0.000 0.658 55 V HN 0.230 nan 8.190 nan 0.000 0.452 56 S N 0.057 115.669 115.700 -0.147 0.000 2.365 56 S HA -0.221 4.370 4.470 0.203 0.000 0.225 56 S C 1.883 176.405 174.600 -0.131 0.000 1.039 56 S CA 2.201 60.336 58.200 -0.108 0.000 1.033 56 S CB -0.380 62.827 63.200 0.012 0.000 0.887 56 S HN 0.532 nan 8.310 nan 0.000 0.447 57 I N 1.559 122.050 120.570 -0.133 0.000 2.162 57 I HA -0.057 4.235 4.170 0.203 0.000 0.238 57 I C 2.947 179.036 176.117 -0.046 0.000 1.076 57 I CA 0.978 62.242 61.300 -0.058 0.000 1.353 57 I CB -0.859 37.133 38.000 -0.014 0.000 1.063 57 I HN 0.388 nan 8.210 nan 0.000 0.408 58 A N 0.691 123.423 122.820 -0.147 0.000 1.884 58 A HA -0.302 4.140 4.320 0.203 0.000 0.219 58 A C 2.405 179.655 177.584 -0.558 0.000 1.197 58 A CA 2.976 54.779 52.037 -0.391 0.000 0.637 58 A CB -1.449 17.335 19.000 -0.361 0.000 0.827 58 A HN 0.428 nan 8.150 nan 0.000 0.450 59 T N 0.062 114.265 114.554 -0.584 0.000 2.624 59 T HA -0.179 4.292 4.350 0.203 0.000 0.268 59 T C 2.170 176.531 174.700 -0.564 0.000 1.041 59 T CA 2.289 63.996 62.100 -0.655 0.000 1.159 59 T CB -0.600 68.075 68.868 -0.322 0.000 0.863 59 T HN 0.709 nan 8.240 nan 0.000 0.434 60 A N 0.168 122.778 122.820 -0.349 0.000 1.940 60 A HA -0.024 4.418 4.320 0.203 0.000 0.219 60 A C 1.963 179.295 177.584 -0.419 0.000 1.176 60 A CA 1.478 53.313 52.037 -0.337 0.000 0.631 60 A CB -0.823 18.051 19.000 -0.210 0.000 0.814 60 A HN 0.514 nan 8.150 nan 0.000 0.446 61 F N -0.569 119.169 119.950 -0.354 0.000 2.473 61 F HA 0.182 4.833 4.527 0.206 0.000 0.294 61 F C 2.633 178.217 175.800 -0.360 0.000 1.103 61 F CA 0.550 58.368 58.000 -0.303 0.000 1.442 61 F CB -0.221 38.634 39.000 -0.242 0.000 1.097 61 F HN 0.239 nan 8.300 nan 0.000 0.547 62 A N 0.143 122.741 122.820 -0.369 0.000 1.930 62 A HA -0.180 4.262 4.320 0.203 0.000 0.217 62 A C 2.288 179.600 177.584 -0.454 0.000 1.175 62 A CA 1.513 53.308 52.037 -0.404 0.000 0.627 62 A CB -0.639 17.941 19.000 -0.699 0.000 0.815 62 A HN 0.342 nan 8.150 nan 0.000 0.443 63 M N -0.447 118.641 119.600 -0.853 0.000 2.062 63 M HA -0.120 4.481 4.480 0.203 0.000 0.259 63 M C 2.125 178.229 176.300 -0.327 0.000 1.076 63 M CA 2.251 56.982 55.300 -0.947 0.000 1.122 63 M CB -0.763 31.285 32.600 -0.921 0.000 1.312 63 M HN 0.360 nan 8.290 nan 0.000 0.412 64 L N 1.516 122.570 121.223 -0.282 0.000 2.137 64 L HA -0.203 4.258 4.340 0.203 0.000 0.213 64 L C 2.649 179.492 176.870 -0.044 0.000 1.085 64 L CA 2.598 57.372 54.840 -0.111 0.000 0.760 64 L CB -0.977 40.893 42.059 -0.315 0.000 0.893 64 L HN 0.663 nan 8.230 nan 0.000 0.434 65 S N -1.072 114.572 115.700 -0.093 0.000 2.419 65 S HA -0.229 4.363 4.470 0.203 0.000 0.235 65 S C 2.039 176.664 174.600 0.041 0.000 1.019 65 S CA 1.452 59.607 58.200 -0.075 0.000 0.982 65 S CB -1.024 62.064 63.200 -0.188 0.000 0.789 65 S HN 0.575 nan 8.310 nan 0.000 0.490 66 L N 0.975 122.254 121.223 0.094 0.000 2.129 66 L HA -0.074 4.388 4.340 0.203 0.000 0.212 66 L C 2.579 179.523 176.870 0.122 0.000 1.087 66 L CA 1.346 56.274 54.840 0.147 0.000 0.757 66 L CB -0.958 41.206 42.059 0.175 0.000 0.896 66 L HN 0.601 nan 8.230 nan 0.000 0.434 67 G N -1.045 107.756 108.800 0.002 0.000 3.371 67 G HA2 0.094 4.176 3.960 0.203 0.000 0.248 67 G HA3 0.094 4.176 3.960 0.203 0.000 0.248 67 G C 0.499 175.268 174.900 -0.217 0.000 1.161 67 G CA 0.413 45.295 45.100 -0.364 0.000 0.796 67 G HN 0.356 nan 8.290 nan 0.000 0.539 68 T N -2.435 112.095 114.554 -0.040 0.000 2.950 68 T HA 0.750 5.222 4.350 0.203 0.000 0.288 68 T C -0.453 174.303 174.700 0.092 0.000 1.035 68 T CA -0.785 61.321 62.100 0.010 0.000 1.028 68 T CB 2.955 71.844 68.868 0.035 0.000 1.109 68 T HN 0.033 nan 8.240 nan 0.000 0.514 69 K N 0.056 120.488 120.400 0.053 0.000 2.372 69 K HA 0.740 5.182 4.320 0.203 0.000 0.251 69 K C 0.587 177.199 176.600 0.019 0.000 1.055 69 K CA -0.662 55.629 56.287 0.006 0.000 0.879 69 K CB 1.696 34.173 32.500 -0.037 0.000 1.384 69 K HN 1.004 nan 8.250 nan 0.000 0.465 70 A N 1.082 123.878 122.820 -0.041 0.000 5.395 70 A HA -0.326 4.115 4.320 0.203 0.000 0.324 70 A C 1.036 178.639 177.584 0.032 0.000 1.813 70 A CA 1.913 53.939 52.037 -0.019 0.000 0.714 70 A CB -1.839 17.156 19.000 -0.008 0.000 1.374 70 A HN 0.948 nan 8.150 nan 0.000 0.390 71 D N -1.133 119.289 120.400 0.036 0.000 2.097 71 D HA -0.034 4.728 4.640 0.203 0.000 0.197 71 D C 2.022 178.367 176.300 0.074 0.000 0.984 71 D CA 1.984 56.015 54.000 0.052 0.000 0.826 71 D CB -0.904 39.916 40.800 0.034 0.000 0.973 71 D HN 0.687 nan 8.370 nan 0.000 0.460 72 T N 0.625 115.217 114.554 0.062 0.000 2.680 72 T HA -0.251 4.220 4.350 0.203 0.000 0.268 72 T C 1.720 176.472 174.700 0.087 0.000 1.033 72 T CA 1.599 63.734 62.100 0.058 0.000 1.152 72 T CB -0.437 68.453 68.868 0.038 0.000 0.859 72 T HN 0.318 nan 8.240 nan 0.000 0.452 73 H N 1.669 120.741 119.070 0.002 0.000 2.268 73 H HA -0.067 4.611 4.556 0.204 0.000 0.304 73 H C 1.827 177.166 175.328 0.018 0.000 1.064 73 H CA 1.734 57.788 56.048 0.011 0.000 1.316 73 H CB -0.429 29.338 29.762 0.008 0.000 1.386 73 H HN 0.255 nan 8.280 nan 0.000 0.496 74 D N 0.611 121.215 120.400 0.341 0.000 2.221 74 D HA -0.163 4.598 4.640 0.203 0.000 0.204 74 D C 2.055 178.409 176.300 0.091 0.000 0.982 74 D CA 0.920 55.052 54.000 0.221 0.000 0.857 74 D CB -0.249 40.643 40.800 0.154 0.000 0.934 74 D HN 0.613 nan 8.370 nan 0.000 0.475 75 E N 0.192 120.433 120.200 0.070 0.000 2.150 75 E HA -0.101 4.371 4.350 0.203 0.000 0.193 75 E C 2.237 178.849 176.600 0.020 0.000 0.985 75 E CA 0.314 56.739 56.400 0.042 0.000 0.814 75 E CB 0.097 29.825 29.700 0.045 0.000 0.752 75 E HN 0.247 nan 8.360 nan 0.000 0.466 76 I N 0.645 121.216 120.570 0.001 0.000 2.133 76 I HA -0.278 4.014 4.170 0.203 0.000 0.238 76 I C 2.276 178.373 176.117 -0.033 0.000 1.074 76 I CA 0.893 62.181 61.300 -0.021 0.000 1.342 76 I CB -0.227 37.761 38.000 -0.020 0.000 1.053 76 I HN 0.175 nan 8.210 nan 0.000 0.404 77 L N 0.242 121.439 121.223 -0.043 0.000 2.191 77 L HA -0.207 4.254 4.340 0.203 0.000 0.212 77 L C 2.362 179.319 176.870 0.146 0.000 1.103 77 L CA 1.329 56.204 54.840 0.057 0.000 0.769 77 L CB -0.642 41.398 42.059 -0.031 0.000 0.908 77 L HN 0.308 nan 8.230 nan 0.000 0.438 78 E N 0.337 120.579 120.200 0.070 0.000 2.046 78 E HA -0.123 4.349 4.350 0.203 0.000 0.190 78 E C 2.237 178.837 176.600 0.000 0.000 0.982 78 E CA 0.875 57.309 56.400 0.057 0.000 0.800 78 E CB -0.297 29.428 29.700 0.041 0.000 0.756 78 E HN 0.484 nan 8.360 nan 0.000 0.449 79 G N 0.851 109.641 108.800 -0.017 0.000 2.568 79 G HA2 -0.225 3.856 3.960 0.203 0.000 0.220 79 G HA3 -0.225 3.856 3.960 0.203 0.000 0.220 79 G C 1.134 175.979 174.900 -0.091 0.000 1.104 79 G CA 0.626 45.702 45.100 -0.040 0.000 0.738 79 G HN 0.141 nan 8.290 nan 0.000 0.574 80 L N -0.753 120.359 121.223 -0.186 0.000 2.791 80 L HA 0.296 4.758 4.340 0.203 0.000 0.239 80 L C 0.753 177.318 176.870 -0.508 0.000 1.203 80 L CA -0.166 54.403 54.840 -0.452 0.000 1.002 80 L CB -0.482 41.342 42.059 -0.392 0.000 1.295 80 L HN 0.249 nan 8.230 nan 0.000 0.504 81 N N -1.211 117.320 118.700 -0.282 0.000 2.850 81 N HA -0.190 4.672 4.740 0.203 0.000 0.249 81 N C -0.459 174.842 175.510 -0.348 0.000 1.060 81 N CA 0.135 53.014 53.050 -0.285 0.000 0.825 81 N CB -0.856 37.457 38.487 -0.291 0.000 1.132 81 N HN 0.138 nan 8.380 nan 0.000 0.564 82 F N 1.281 121.190 119.950 -0.068 0.000 2.399 82 F HA 0.352 5.003 4.527 0.207 0.000 0.334 82 F C 0.870 176.642 175.800 -0.047 0.000 1.097 82 F CA -0.878 57.079 58.000 -0.071 0.000 1.076 82 F CB 0.968 39.915 39.000 -0.090 0.000 1.162 82 F HN -0.069 nan 8.300 nan 0.000 0.495 83 N N 3.235 122.035 118.700 0.167 0.000 2.707 83 N HA 0.258 5.120 4.740 0.203 0.000 0.235 83 N C 0.666 176.217 175.510 0.069 0.000 1.028 83 N CA -0.121 52.979 53.050 0.084 0.000 0.906 83 N CB 0.320 38.836 38.487 0.049 0.000 1.131 83 N HN 0.659 nan 8.380 nan 0.000 0.509 84 L N 0.886 122.147 121.223 0.064 0.000 2.283 84 L HA -0.253 4.208 4.340 0.203 0.000 0.217 84 L C 1.821 178.702 176.870 0.018 0.000 1.104 84 L CA 1.739 56.600 54.840 0.035 0.000 0.772 84 L CB -0.772 41.317 42.059 0.049 0.000 0.899 84 L HN 0.656 nan 8.230 nan 0.000 0.439 85 T N -3.910 110.656 114.554 0.021 0.000 3.100 85 T HA -0.042 4.430 4.350 0.203 0.000 0.253 85 T C 1.220 175.925 174.700 0.008 0.000 1.118 85 T CA 0.595 62.702 62.100 0.011 0.000 1.058 85 T CB -0.029 68.846 68.868 0.011 0.000 0.953 85 T HN 0.655 nan 8.240 nan 0.000 0.515 86 E N 0.537 120.745 120.200 0.012 0.000 2.562 86 E HA 0.461 4.933 4.350 0.203 0.000 0.214 86 E C 0.252 176.853 176.600 0.002 0.000 0.979 86 E CA -0.536 55.870 56.400 0.009 0.000 1.002 86 E CB 0.485 30.194 29.700 0.015 0.000 1.048 86 E HN 0.608 nan 8.360 nan 0.000 0.488 87 I N 0.733 121.299 120.570 -0.006 0.000 2.752 87 I HA 0.345 4.637 4.170 0.203 0.000 0.290 87 I C -3.214 172.867 176.117 -0.061 0.000 1.507 87 I CA -2.189 59.090 61.300 -0.036 0.000 1.038 87 I CB 2.722 40.699 38.000 -0.039 0.000 1.390 87 I HN -0.145 nan 8.210 nan 0.000 0.435 88 P HA 0.391 nan 4.420 nan 0.000 0.294 88 P C -0.351 176.879 177.300 -0.117 0.000 1.325 88 P CA -0.371 62.686 63.100 -0.072 0.000 0.978 88 P CB 1.905 33.584 31.700 -0.035 0.000 1.288 89 E N 1.407 121.554 120.200 -0.088 0.000 2.108 89 E HA -0.242 4.230 4.350 0.203 0.000 0.203 89 E C 1.452 178.038 176.600 -0.024 0.000 1.022 89 E CA 1.934 58.268 56.400 -0.110 0.000 0.823 89 E CB -1.360 28.386 29.700 0.076 0.000 0.744 89 E HN 0.386 nan 8.360 nan 0.000 0.456 90 A N 0.248 123.094 122.820 0.044 0.000 2.207 90 A HA -0.117 4.325 4.320 0.203 0.000 0.205 90 A C 1.788 179.372 177.584 -0.001 0.000 1.310 90 A CA 1.237 53.310 52.037 0.060 0.000 0.926 90 A CB -0.583 18.440 19.000 0.038 0.000 0.778 90 A HN 0.528 nan 8.150 nan 0.000 0.497 91 Q N -1.575 118.187 119.800 -0.065 0.000 2.286 91 Q HA 0.151 4.613 4.340 0.203 0.000 0.243 91 Q C 1.337 177.221 176.000 -0.193 0.000 0.752 91 Q CA 0.039 55.780 55.803 -0.104 0.000 0.950 91 Q CB 0.121 28.791 28.738 -0.112 0.000 1.253 91 Q HN 0.528 nan 8.270 nan 0.000 0.492 92 I N 1.491 121.869 120.570 -0.320 0.000 2.072 92 I HA -0.302 3.990 4.170 0.203 0.000 0.235 92 I C 2.038 177.969 176.117 -0.310 0.000 1.058 92 I CA 1.381 62.337 61.300 -0.574 0.000 1.320 92 I CB -0.647 36.845 38.000 -0.847 0.000 1.047 92 I HN 0.339 nan 8.210 nan 0.000 0.397 93 H N 0.367 119.431 119.070 -0.009 0.000 2.437 93 H HA -0.254 4.423 4.556 0.203 0.000 0.296 93 H C 2.080 177.436 175.328 0.046 0.000 1.121 93 H CA 2.066 58.218 56.048 0.174 0.000 1.255 93 H CB -0.405 29.444 29.762 0.145 0.000 1.366 93 H HN 0.408 nan 8.280 nan 0.000 0.512 94 E N 0.498 120.738 120.200 0.067 0.000 2.031 94 E HA -0.094 4.378 4.350 0.203 0.000 0.193 94 E C 2.669 179.244 176.600 -0.041 0.000 0.994 94 E CA 1.535 57.933 56.400 -0.004 0.000 0.800 94 E CB -0.793 28.886 29.700 -0.035 0.000 0.752 94 E HN 0.406 nan 8.360 nan 0.000 0.447 95 G N -0.778 107.943 108.800 -0.131 0.000 2.418 95 G HA2 -0.240 3.841 3.960 0.203 0.000 0.217 95 G HA3 -0.240 3.841 3.960 0.203 0.000 0.217 95 G C 1.364 176.197 174.900 -0.111 0.000 1.158 95 G CA 0.892 45.886 45.100 -0.177 0.000 0.771 95 G HN 0.270 nan 8.290 nan 0.000 0.545 96 F N 0.877 120.826 119.950 -0.002 0.000 2.102 96 F HA -0.027 4.620 4.527 0.200 0.000 0.298 96 F C 3.064 178.855 175.800 -0.016 0.000 1.105 96 F CA 1.456 59.477 58.000 0.036 0.000 1.239 96 F CB -0.707 38.389 39.000 0.160 0.000 0.991 96 F HN 0.169 nan 8.300 nan 0.000 0.474 97 Q N -0.315 119.558 119.800 0.122 0.000 2.170 97 Q HA -0.172 4.290 4.340 0.203 0.000 0.203 97 Q C 2.157 178.136 176.000 -0.036 0.000 0.976 97 Q CA 1.174 56.937 55.803 -0.067 0.000 0.858 97 Q CB -0.132 28.506 28.738 -0.166 0.000 0.907 97 Q HN 0.320 nan 8.270 nan 0.000 0.433 98 E N 0.449 120.643 120.200 -0.011 0.000 2.077 98 E HA -0.174 4.297 4.350 0.203 0.000 0.193 98 E C 1.968 178.572 176.600 0.006 0.000 0.989 98 E CA 0.745 57.139 56.400 -0.010 0.000 0.800 98 E CB -0.140 29.549 29.700 -0.017 0.000 0.746 98 E HN 0.224 nan 8.360 nan 0.000 0.452 99 L N 0.944 122.180 121.223 0.022 0.000 2.005 99 L HA -0.089 4.373 4.340 0.203 0.000 0.207 99 L C 2.247 179.134 176.870 0.028 0.000 1.072 99 L CA 1.439 56.298 54.840 0.031 0.000 0.744 99 L CB -0.841 41.250 42.059 0.053 0.000 0.895 99 L HN 0.067 nan 8.230 nan 0.000 0.433 100 L N -0.683 120.553 121.223 0.022 0.000 2.263 100 L HA -0.240 4.222 4.340 0.203 0.000 0.216 100 L C 2.745 179.628 176.870 0.023 0.000 1.111 100 L CA 1.149 55.978 54.840 -0.019 0.000 0.773 100 L CB -0.489 41.488 42.059 -0.137 0.000 0.906 100 L HN 0.343 nan 8.230 nan 0.000 0.439 101 R N -0.589 119.926 120.500 0.024 0.000 2.057 101 R HA -0.106 4.356 4.340 0.203 0.000 0.229 101 R C 2.326 178.666 176.300 0.066 0.000 1.136 101 R CA 1.816 57.953 56.100 0.060 0.000 0.952 101 R CB -0.371 29.947 30.300 0.030 0.000 0.848 101 R HN 0.221 nan 8.270 nan 0.000 0.430 102 T N 1.848 116.430 114.554 0.047 0.000 2.680 102 T HA -0.223 4.248 4.350 0.203 0.000 0.268 102 T C 1.706 176.444 174.700 0.062 0.000 1.033 102 T CA 1.706 63.835 62.100 0.048 0.000 1.152 102 T CB -0.260 68.631 68.868 0.038 0.000 0.859 102 T HN 0.145 nan 8.240 nan 0.000 0.452 103 L N 1.583 122.846 121.223 0.067 0.000 1.982 103 L HA -0.015 4.447 4.340 0.203 0.000 0.206 103 L C 2.663 179.599 176.870 0.111 0.000 1.078 103 L CA 1.471 56.362 54.840 0.086 0.000 0.749 103 L CB -0.854 41.249 42.059 0.073 0.000 0.894 103 L HN 0.323 nan 8.230 nan 0.000 0.436 104 N N 1.287 120.069 118.700 0.136 0.000 2.550 104 N HA -0.119 4.743 4.740 0.203 0.000 0.186 104 N C 0.875 176.433 175.510 0.081 0.000 1.110 104 N CA 0.750 53.875 53.050 0.126 0.000 0.912 104 N CB -0.235 38.351 38.487 0.165 0.000 0.968 104 N HN 0.441 nan 8.380 nan 0.000 0.448 105 Q N 1.446 121.294 119.800 0.080 0.000 2.498 105 Q HA -0.002 4.460 4.340 0.203 0.000 0.299 105 Q C -1.633 174.392 176.000 0.043 0.000 1.178 105 Q CA 0.290 56.127 55.803 0.056 0.000 0.997 105 Q CB -1.069 27.701 28.738 0.054 0.000 1.306 105 Q HN 0.273 nan 8.270 nan 0.000 0.468 106 P HA -0.021 nan 4.420 nan 0.000 0.213 106 P C 1.203 178.521 177.300 0.029 0.000 1.170 106 P CA 1.915 65.030 63.100 0.025 0.000 0.893 106 P CB -0.081 31.630 31.700 0.019 0.000 0.784 107 D N -1.022 119.397 120.400 0.032 0.000 2.224 107 D HA -0.087 4.675 4.640 0.203 0.000 0.205 107 D C 1.638 177.963 176.300 0.041 0.000 0.965 107 D CA 1.107 55.127 54.000 0.033 0.000 0.852 107 D CB -1.474 39.346 40.800 0.034 0.000 0.947 107 D HN 0.046 nan 8.370 nan 0.000 0.494 108 S N -0.283 115.446 115.700 0.048 0.000 2.551 108 S HA -0.012 4.579 4.470 0.203 0.000 0.281 108 S C 1.757 176.395 174.600 0.064 0.000 0.967 108 S CA 0.879 59.115 58.200 0.060 0.000 0.961 108 S CB -1.912 61.329 63.200 0.068 0.000 0.731 108 S HN 1.083 nan 8.310 nan 0.000 0.533 109 Q N 0.359 120.190 119.800 0.051 0.000 2.740 109 Q HA 0.185 4.647 4.340 0.203 0.000 0.296 109 Q C 0.764 176.792 176.000 0.048 0.000 1.314 109 Q CA 0.788 56.617 55.803 0.042 0.000 1.037 109 Q CB -1.046 27.711 28.738 0.031 0.000 1.370 109 Q HN 0.512 nan 8.270 nan 0.000 0.489 110 L N 0.214 121.475 121.223 0.064 0.000 2.920 110 L HA 0.242 4.703 4.340 0.203 0.000 0.257 110 L C 0.324 177.223 176.870 0.048 0.000 1.150 110 L CA 0.814 55.702 54.840 0.080 0.000 0.959 110 L CB 0.201 42.351 42.059 0.150 0.000 1.321 110 L HN 0.831 nan 8.230 nan 0.000 0.555 111 Q N 1.136 120.961 119.800 0.043 0.000 2.436 111 Q HA -0.197 4.264 4.340 0.203 0.000 0.362 111 Q C -0.700 175.370 176.000 0.117 0.000 1.423 111 Q CA 1.123 56.936 55.803 0.017 0.000 1.014 111 Q CB -1.289 27.386 28.738 -0.106 0.000 1.177 111 Q HN 0.457 nan 8.270 nan 0.000 0.324 112 L N 1.091 122.461 121.223 0.246 0.000 2.528 112 L HA 0.532 4.994 4.340 0.203 0.000 0.267 112 L C -0.923 176.151 176.870 0.341 0.000 0.961 112 L CA -0.301 54.788 54.840 0.415 0.000 0.866 112 L CB 2.038 44.384 42.059 0.478 0.000 1.248 112 L HN 0.177 nan 8.230 nan 0.000 0.404 113 T N 2.343 117.149 114.554 0.421 0.000 2.855 113 T HA 0.676 5.147 4.350 0.203 0.000 0.281 113 T C -0.609 174.429 174.700 0.563 0.000 1.007 113 T CA -0.403 61.969 62.100 0.454 0.000 1.009 113 T CB 1.704 70.851 68.868 0.465 0.000 0.983 113 T HN 0.650 nan 8.240 nan 0.000 0.455 114 T N 0.815 115.640 114.554 0.450 0.000 3.047 114 T HA 0.692 5.164 4.350 0.203 0.000 0.340 114 T C -0.835 173.733 174.700 -0.220 0.000 1.421 114 T CA -0.198 62.007 62.100 0.175 0.000 1.090 114 T CB 1.255 70.184 68.868 0.101 0.000 1.292 114 T HN 0.978 nan 8.240 nan 0.000 0.480 115 G N 2.372 110.528 108.800 -1.073 0.000 2.606 115 G HA2 0.610 4.692 3.960 0.203 0.000 0.300 115 G HA3 0.610 4.692 3.960 0.203 0.000 0.300 115 G C -2.037 172.314 174.900 -0.915 0.000 1.360 115 G CA -0.644 43.909 45.100 -0.910 0.000 0.783 115 G HN 0.728 nan 8.290 nan 0.000 0.484 116 N N -0.677 117.615 118.700 -0.680 0.000 2.260 116 N HA 0.571 5.433 4.740 0.203 0.000 0.293 116 N C -1.789 173.373 175.510 -0.579 0.000 1.058 116 N CA -0.286 52.462 53.050 -0.504 0.000 0.824 116 N CB 2.384 40.682 38.487 -0.315 0.000 1.551 116 N HN 0.304 nan 8.380 nan 0.000 0.475 117 F N 1.371 121.292 119.950 -0.048 0.000 2.495 117 F HA 0.536 5.184 4.527 0.202 0.000 0.327 117 F C 0.050 175.678 175.800 -0.288 0.000 1.103 117 F CA -0.790 57.107 58.000 -0.171 0.000 0.949 117 F CB 1.885 40.906 39.000 0.035 0.000 1.142 117 F HN 0.071 nan 8.300 nan 0.000 0.457 118 L N 4.185 125.220 121.223 -0.313 0.000 2.372 118 L HA 0.442 4.904 4.340 0.203 0.000 0.273 118 L C -1.361 175.358 176.870 -0.252 0.000 0.989 118 L CA -0.432 54.341 54.840 -0.112 0.000 0.841 118 L CB 1.224 43.274 42.059 -0.015 0.000 1.225 118 L HN 0.510 nan 8.230 nan 0.000 0.414 119 F N 4.779 124.945 119.950 0.360 0.000 2.308 119 F HA 0.459 5.107 4.527 0.201 0.000 0.370 119 F C -0.317 175.789 175.800 0.510 0.000 1.100 119 F CA -0.597 57.609 58.000 0.342 0.000 1.108 119 F CB 0.922 40.119 39.000 0.329 0.000 1.293 119 F HN 0.163 nan 8.300 nan 0.000 0.478 120 L N 1.910 123.392 121.223 0.432 0.000 2.322 120 L HA 0.402 4.863 4.340 0.203 0.000 0.279 120 L C 0.602 177.718 176.870 0.410 0.000 1.036 120 L CA -0.559 54.490 54.840 0.349 0.000 0.807 120 L CB 1.695 43.759 42.059 0.008 0.000 1.226 120 L HN 0.469 nan 8.230 nan 0.000 0.433 121 S N 2.214 118.224 115.700 0.516 0.000 2.629 121 S HA -0.003 4.589 4.470 0.203 0.000 0.302 121 S C 0.259 174.990 174.600 0.218 0.000 1.244 121 S CA -0.536 57.957 58.200 0.487 0.000 1.098 121 S CB -0.261 63.184 63.200 0.409 0.000 0.858 121 S HN 0.635 nan 8.310 nan 0.000 0.502 122 E N 3.684 123.977 120.200 0.155 0.000 2.465 122 E HA 0.358 4.829 4.350 0.203 0.000 0.260 122 E C 0.662 177.312 176.600 0.083 0.000 0.980 122 E CA 0.062 56.520 56.400 0.097 0.000 0.927 122 E CB 0.076 29.820 29.700 0.073 0.000 0.934 122 E HN 0.886 nan 8.360 nan 0.000 0.459 123 G N 3.235 112.071 108.800 0.060 0.000 2.338 123 G HA2 -0.039 4.043 3.960 0.203 0.000 0.115 123 G HA3 -0.039 4.043 3.960 0.203 0.000 0.115 123 G C -0.565 174.354 174.900 0.032 0.000 1.053 123 G CA -0.362 44.765 45.100 0.046 0.000 0.733 123 G HN 0.429 nan 8.290 nan 0.000 0.482 124 L N -0.282 120.955 121.223 0.022 0.000 2.526 124 L HA 0.479 4.941 4.340 0.203 0.000 0.263 124 L C 0.154 177.022 176.870 -0.003 0.000 0.943 124 L CA -0.955 53.886 54.840 0.001 0.000 0.859 124 L CB 2.367 44.417 42.059 -0.015 0.000 1.313 124 L HN 0.129 nan 8.230 nan 0.000 0.406 125 K N 3.801 124.196 120.400 -0.009 0.000 2.220 125 K HA 0.376 4.818 4.320 0.203 0.000 0.283 125 K C -0.964 175.625 176.600 -0.018 0.000 1.098 125 K CA -0.612 55.671 56.287 -0.007 0.000 0.928 125 K CB 0.155 32.651 32.500 -0.007 0.000 1.214 125 K HN 0.395 nan 8.250 nan 0.000 0.442 126 L N 4.220 125.436 121.223 -0.011 0.000 2.410 126 L HA 0.097 4.559 4.340 0.203 0.000 0.273 126 L C 0.280 177.155 176.870 0.009 0.000 1.152 126 L CA -0.305 54.527 54.840 -0.013 0.000 0.855 126 L CB 0.694 42.763 42.059 0.017 0.000 1.129 126 L HN 0.211 nan 8.230 nan 0.000 0.463 127 V N 3.433 123.344 119.914 -0.006 0.000 2.843 127 V HA -0.152 4.090 4.120 0.203 0.000 0.305 127 V C 1.151 177.284 176.094 0.066 0.000 1.120 127 V CA 0.486 62.795 62.300 0.014 0.000 1.254 127 V CB 0.190 32.008 31.823 -0.008 0.000 0.901 127 V HN 0.852 nan 8.190 nan 0.000 0.503 128 D N 3.452 123.877 120.400 0.042 0.000 2.087 128 D HA -0.129 4.632 4.640 0.203 0.000 0.201 128 D C 1.929 178.259 176.300 0.050 0.000 0.980 128 D CA 1.230 55.252 54.000 0.035 0.000 0.849 128 D CB -0.004 40.804 40.800 0.014 0.000 1.001 128 D HN 0.631 nan 8.370 nan 0.000 0.452 129 K N 0.222 120.650 120.400 0.046 0.000 2.148 129 K HA -0.265 4.176 4.320 0.203 0.000 0.213 129 K C 2.081 178.730 176.600 0.083 0.000 1.050 129 K CA 1.246 57.560 56.287 0.046 0.000 0.932 129 K CB -0.330 32.196 32.500 0.043 0.000 0.717 129 K HN -0.013 nan 8.250 nan 0.000 0.462 130 F N 1.645 121.564 119.950 -0.053 0.000 1.990 130 F HA -0.260 4.388 4.527 0.202 0.000 0.297 130 F C 1.945 177.706 175.800 -0.065 0.000 1.199 130 F CA 1.921 59.884 58.000 -0.061 0.000 1.184 130 F CB -0.947 38.007 39.000 -0.076 0.000 0.956 130 F HN -0.015 nan 8.300 nan 0.000 0.503 131 L N 0.129 121.214 121.223 -0.231 0.000 2.085 131 L HA -0.338 4.123 4.340 0.203 0.000 0.218 131 L C 2.473 179.191 176.870 -0.254 0.000 1.080 131 L CA 2.124 56.758 54.840 -0.344 0.000 0.776 131 L CB -1.251 40.714 42.059 -0.156 0.000 0.891 131 L HN 0.466 nan 8.230 nan 0.000 0.437 132 E N 0.647 120.765 120.200 -0.137 0.000 2.013 132 E HA -0.262 4.210 4.350 0.203 0.000 0.202 132 E C 1.763 178.291 176.600 -0.120 0.000 1.018 132 E CA 1.959 58.300 56.400 -0.099 0.000 0.834 132 E CB -0.005 29.665 29.700 -0.050 0.000 0.770 132 E HN 0.482 nan 8.360 nan 0.000 0.459 133 D N 0.327 120.662 120.400 -0.108 0.000 2.106 133 D HA -0.180 4.582 4.640 0.203 0.000 0.191 133 D C 2.231 178.452 176.300 -0.131 0.000 0.997 133 D CA 1.481 55.420 54.000 -0.101 0.000 0.834 133 D CB -0.557 40.209 40.800 -0.057 0.000 0.956 133 D HN 0.142 nan 8.370 nan 0.000 0.448 134 V N 2.218 121.987 119.914 -0.242 0.000 2.222 134 V HA -0.308 3.934 4.120 0.203 0.000 0.252 134 V C 2.330 178.324 176.094 -0.168 0.000 1.060 134 V CA 2.687 64.822 62.300 -0.276 0.000 1.027 134 V CB -0.793 30.658 31.823 -0.620 0.000 0.644 134 V HN 0.380 nan 8.190 nan 0.000 0.448 135 K N 0.543 120.830 120.400 -0.189 0.000 2.551 135 K HA -0.070 4.372 4.320 0.203 0.000 0.192 135 K C 1.832 178.394 176.600 -0.064 0.000 1.027 135 K CA 1.188 57.402 56.287 -0.121 0.000 1.059 135 K CB -0.011 32.405 32.500 -0.140 0.000 0.831 135 K HN 0.484 nan 8.250 nan 0.000 0.508 136 K N 1.236 121.592 120.400 -0.073 0.000 2.262 136 K HA 0.055 4.497 4.320 0.203 0.000 0.200 136 K C 1.802 178.371 176.600 -0.053 0.000 1.058 136 K CA 0.444 56.698 56.287 -0.056 0.000 0.974 136 K CB 0.188 32.644 32.500 -0.073 0.000 0.910 136 K HN 0.324 nan 8.250 nan 0.000 0.484 137 L N -3.017 118.122 121.223 -0.140 0.000 2.577 137 L HA 0.314 4.776 4.340 0.203 0.000 0.225 137 L C 0.789 177.362 176.870 -0.495 0.000 1.053 137 L CA -0.278 54.379 54.840 -0.306 0.000 0.866 137 L CB -0.045 41.736 42.059 -0.464 0.000 1.132 137 L HN -0.085 nan 8.230 nan 0.000 0.486 138 Y N 1.003 121.195 120.300 -0.180 0.000 2.683 138 Y HA 0.314 4.986 4.550 0.203 0.000 0.297 138 Y C -0.121 175.650 175.900 -0.215 0.000 1.147 138 Y CA -0.761 57.177 58.100 -0.270 0.000 1.274 138 Y CB -0.644 37.679 38.460 -0.228 0.000 1.143 138 Y HN 0.204 nan 8.280 nan 0.000 0.527 139 H N -0.193 118.845 119.070 -0.053 0.000 2.099 139 H HA -0.163 4.514 4.556 0.203 0.000 0.310 139 H C -0.351 174.890 175.328 -0.144 0.000 0.858 139 H CA 0.282 56.278 56.048 -0.087 0.000 1.024 139 H CB -0.955 28.764 29.762 -0.072 0.000 1.578 139 H HN 0.204 nan 8.280 nan 0.000 0.302 140 S N 1.492 117.153 115.700 -0.065 0.000 2.541 140 S HA 0.428 5.019 4.470 0.203 0.000 0.271 140 S C -0.515 173.940 174.600 -0.240 0.000 1.133 140 S CA -1.110 56.973 58.200 -0.194 0.000 0.876 140 S CB 2.582 65.655 63.200 -0.212 0.000 1.105 140 S HN 0.426 nan 8.310 nan 0.000 0.470 141 E N 0.925 120.937 120.200 -0.314 0.000 2.256 141 E HA 0.780 5.252 4.350 0.203 0.000 0.267 141 E C -0.879 175.308 176.600 -0.688 0.000 0.892 141 E CA -0.756 55.376 56.400 -0.445 0.000 0.775 141 E CB 1.781 31.265 29.700 -0.361 0.000 1.207 141 E HN 0.672 nan 8.360 nan 0.000 0.420 142 A N 2.199 124.537 122.820 -0.802 0.000 2.330 142 A HA 0.798 5.240 4.320 0.203 0.000 0.327 142 A C -1.398 175.631 177.584 -0.925 0.000 1.155 142 A CA -0.564 51.046 52.037 -0.711 0.000 0.803 142 A CB 0.375 19.156 19.000 -0.366 0.000 1.208 142 A HN 0.441 nan 8.150 nan 0.000 0.477 143 F N 0.681 120.468 119.950 -0.271 0.000 2.557 143 F HA 0.456 5.104 4.527 0.202 0.000 0.316 143 F C 0.717 176.458 175.800 -0.100 0.000 1.141 143 F CA -0.545 57.294 58.000 -0.268 0.000 0.922 143 F CB 2.197 40.778 39.000 -0.698 0.000 1.194 143 F HN 0.602 nan 8.300 nan 0.000 0.443 144 T N 0.723 115.376 114.554 0.166 0.000 2.889 144 T HA 0.777 5.248 4.350 0.203 0.000 0.291 144 T C -0.304 174.471 174.700 0.126 0.000 0.995 144 T CA -0.521 61.664 62.100 0.142 0.000 1.092 144 T CB 1.454 70.388 68.868 0.110 0.000 0.954 144 T HN 0.816 nan 8.240 nan 0.000 0.506 145 V N -0.240 119.693 119.914 0.032 0.000 3.181 145 V HA 0.653 4.894 4.120 0.203 0.000 0.308 145 V C -0.929 175.046 176.094 -0.198 0.000 1.214 145 V CA -1.353 60.886 62.300 -0.101 0.000 1.053 145 V CB 2.148 33.822 31.823 -0.248 0.000 1.069 145 V HN 0.820 nan 8.190 nan 0.000 0.441 146 N N 0.999 119.591 118.700 -0.180 0.000 2.719 146 N HA 0.383 5.245 4.740 0.203 0.000 0.243 146 N C 0.059 175.501 175.510 -0.113 0.000 1.104 146 N CA -0.318 52.679 53.050 -0.088 0.000 0.981 146 N CB 0.047 38.517 38.487 -0.028 0.000 1.290 146 N HN 0.735 nan 8.380 nan 0.000 0.513 147 F N 0.476 120.468 119.950 0.070 0.000 2.641 147 F HA 0.091 4.739 4.527 0.202 0.000 0.298 147 F C 2.223 178.051 175.800 0.046 0.000 1.146 147 F CA 0.266 58.303 58.000 0.061 0.000 1.464 147 F CB -0.242 38.803 39.000 0.075 0.000 1.101 147 F HN 0.457 nan 8.300 nan 0.000 0.585 148 G N -0.835 108.071 108.800 0.177 0.000 2.511 148 G HA2 -0.249 3.833 3.960 0.203 0.000 0.216 148 G HA3 -0.249 3.833 3.960 0.203 0.000 0.216 148 G C 0.522 175.478 174.900 0.092 0.000 1.218 148 G CA 0.545 45.716 45.100 0.118 0.000 0.788 148 G HN 0.191 nan 8.290 nan 0.000 0.560 149 D N 0.387 120.823 120.400 0.061 0.000 2.342 149 D HA 0.207 4.969 4.640 0.203 0.000 0.260 149 D C 1.440 177.771 176.300 0.052 0.000 1.278 149 D CA 0.041 54.065 54.000 0.040 0.000 0.910 149 D CB 1.000 41.808 40.800 0.014 0.000 1.079 149 D HN 0.018 nan 8.370 nan 0.000 0.496 150 T N 3.191 117.782 114.554 0.063 0.000 2.833 150 T HA -0.132 4.340 4.350 0.203 0.000 0.269 150 T C 1.447 176.173 174.700 0.043 0.000 1.054 150 T CA 0.895 63.040 62.100 0.075 0.000 1.135 150 T CB 0.299 69.205 68.868 0.064 0.000 0.869 150 T HN 0.389 nan 8.240 nan 0.000 0.466 151 E N 0.681 120.893 120.200 0.021 0.000 2.140 151 E HA 0.005 4.477 4.350 0.203 0.000 0.191 151 E C 2.224 178.814 176.600 -0.017 0.000 0.973 151 E CA 0.611 57.013 56.400 0.002 0.000 0.829 151 E CB -0.224 29.475 29.700 -0.001 0.000 0.781 151 E HN 0.448 nan 8.360 nan 0.000 0.466 152 E N 1.064 121.252 120.200 -0.020 0.000 2.153 152 E HA -0.085 4.387 4.350 0.203 0.000 0.194 152 E C 1.731 178.291 176.600 -0.067 0.000 0.988 152 E CA 1.221 57.598 56.400 -0.040 0.000 0.811 152 E CB -0.075 29.606 29.700 -0.032 0.000 0.746 152 E HN 0.170 nan 8.360 nan 0.000 0.466 153 A N 0.640 123.411 122.820 -0.081 0.000 1.855 153 A HA -0.041 4.401 4.320 0.203 0.000 0.213 153 A C 2.433 179.941 177.584 -0.128 0.000 1.195 153 A CA 2.391 54.328 52.037 -0.167 0.000 0.610 153 A CB -1.209 17.642 19.000 -0.249 0.000 0.837 153 A HN 0.334 nan 8.150 nan 0.000 0.444 154 K N 0.723 121.086 120.400 -0.061 0.000 2.052 154 K HA -0.268 4.173 4.320 0.203 0.000 0.215 154 K C 2.127 178.678 176.600 -0.080 0.000 1.053 154 K CA 2.574 58.829 56.287 -0.054 0.000 0.934 154 K CB -0.988 31.502 32.500 -0.018 0.000 0.717 154 K HN 0.693 nan 8.250 nan 0.000 0.450 155 K N 0.161 120.519 120.400 -0.071 0.000 1.991 155 K HA -0.244 4.198 4.320 0.203 0.000 0.212 155 K C 2.564 179.101 176.600 -0.105 0.000 1.049 155 K CA 1.841 58.080 56.287 -0.080 0.000 0.932 155 K CB -0.193 32.264 32.500 -0.071 0.000 0.717 155 K HN 0.635 nan 8.250 nan 0.000 0.441 156 Q N 0.458 120.199 119.800 -0.099 0.000 2.061 156 Q HA -0.192 4.269 4.340 0.203 0.000 0.204 156 Q C 2.338 178.358 176.000 0.032 0.000 0.984 156 Q CA 1.904 57.653 55.803 -0.090 0.000 0.846 156 Q CB -0.248 28.516 28.738 0.044 0.000 0.902 156 Q HN 0.452 nan 8.270 nan 0.000 0.421 157 I N 1.307 121.830 120.570 -0.079 0.000 2.058 157 I HA -0.318 3.974 4.170 0.203 0.000 0.235 157 I C 1.993 178.015 176.117 -0.159 0.000 1.053 157 I CA 1.050 62.161 61.300 -0.314 0.000 1.313 157 I CB -0.618 37.000 38.000 -0.638 0.000 1.039 157 I HN 0.234 nan 8.210 nan 0.000 0.396 158 N N 1.025 119.646 118.700 -0.131 0.000 2.144 158 N HA -0.250 4.612 4.740 0.203 0.000 0.195 158 N C 1.362 176.833 175.510 -0.065 0.000 1.006 158 N CA 2.059 55.065 53.050 -0.073 0.000 0.880 158 N CB -0.620 37.834 38.487 -0.056 0.000 1.018 158 N HN 0.437 nan 8.380 nan 0.000 0.443 159 D N -0.795 119.548 120.400 -0.095 0.000 2.162 159 D HA -0.020 4.742 4.640 0.203 0.000 0.203 159 D C 1.877 178.091 176.300 -0.143 0.000 0.967 159 D CA 0.513 54.435 54.000 -0.130 0.000 0.840 159 D CB -0.409 40.281 40.800 -0.184 0.000 0.972 159 D HN 0.342 nan 8.370 nan 0.000 0.482 160 Y N 0.610 120.804 120.300 -0.176 0.000 2.114 160 Y HA -0.246 4.426 4.550 0.202 0.000 0.282 160 Y C 2.419 178.147 175.900 -0.285 0.000 1.165 160 Y CA 0.801 58.765 58.100 -0.228 0.000 1.148 160 Y CB -0.253 38.152 38.460 -0.092 0.000 0.972 160 Y HN -0.149 nan 8.280 nan 0.000 0.504 161 V N 0.022 119.872 119.914 -0.106 0.000 2.295 161 V HA -0.310 3.931 4.120 0.203 0.000 0.246 161 V C 2.112 178.187 176.094 -0.032 0.000 1.049 161 V CA 2.200 64.356 62.300 -0.240 0.000 1.024 161 V CB -0.543 31.245 31.823 -0.059 0.000 0.648 161 V HN 0.419 nan 8.190 nan 0.000 0.447 162 E N 0.090 120.281 120.200 -0.016 0.000 2.401 162 E HA -0.222 4.249 4.350 0.203 0.000 0.199 162 E C 2.158 178.758 176.600 0.000 0.000 1.023 162 E CA 1.445 57.846 56.400 0.002 0.000 0.859 162 E CB 0.026 29.713 29.700 -0.020 0.000 0.780 162 E HN 0.684 nan 8.360 nan 0.000 0.523 163 K N -0.153 120.244 120.400 -0.005 0.000 2.141 163 K HA 0.101 4.543 4.320 0.203 0.000 0.202 163 K C 2.058 178.715 176.600 0.095 0.000 1.045 163 K CA 0.748 57.041 56.287 0.012 0.000 0.971 163 K CB -1.058 31.421 32.500 -0.035 0.000 0.795 163 K HN 0.209 nan 8.250 nan 0.000 0.459 164 G N -0.236 108.678 108.800 0.191 0.000 2.744 164 G HA2 -0.035 4.047 3.960 0.203 0.000 0.211 164 G HA3 -0.035 4.047 3.960 0.203 0.000 0.211 164 G C 1.388 176.526 174.900 0.396 0.000 1.143 164 G CA 1.444 46.791 45.100 0.411 0.000 0.788 164 G HN 0.509 nan 8.290 nan 0.000 0.534 165 T N -0.135 114.551 114.554 0.219 0.000 3.092 165 T HA 0.163 4.634 4.350 0.203 0.000 0.258 165 T C 1.031 175.697 174.700 -0.057 0.000 1.031 165 T CA 0.196 62.329 62.100 0.056 0.000 0.925 165 T CB -0.298 68.632 68.868 0.102 0.000 1.036 165 T HN 0.290 nan 8.240 nan 0.000 0.544 166 Q N -0.575 119.217 119.800 -0.013 0.000 2.506 166 Q HA -0.179 4.283 4.340 0.203 0.000 0.268 166 Q C 0.927 176.886 176.000 -0.068 0.000 1.002 166 Q CA 0.846 56.615 55.803 -0.056 0.000 1.052 166 Q CB -2.333 26.334 28.738 -0.117 0.000 1.383 166 Q HN 0.877 nan 8.270 nan 0.000 0.537 167 G N -0.093 108.686 108.800 -0.036 0.000 2.155 167 G HA2 -0.382 3.699 3.960 0.203 0.000 0.257 167 G HA3 -0.382 3.699 3.960 0.203 0.000 0.257 167 G C 0.780 175.660 174.900 -0.034 0.000 0.983 167 G CA 0.961 46.042 45.100 -0.031 0.000 0.676 167 G HN 0.421 nan 8.290 nan 0.000 0.528 168 K N -0.747 119.621 120.400 -0.053 0.000 2.361 168 K HA 0.337 4.779 4.320 0.203 0.000 0.196 168 K C 0.843 177.507 176.600 0.107 0.000 1.039 168 K CA 0.502 56.767 56.287 -0.037 0.000 1.001 168 K CB 0.448 32.793 32.500 -0.259 0.000 0.795 168 K HN 0.485 nan 8.250 nan 0.000 0.495 169 I N 2.321 122.969 120.570 0.129 0.000 2.420 169 I HA 0.139 4.431 4.170 0.203 0.000 0.282 169 I C -0.536 175.631 176.117 0.083 0.000 1.019 169 I CA -1.039 60.351 61.300 0.151 0.000 1.130 169 I CB 1.611 39.737 38.000 0.209 0.000 1.262 169 I HN -0.242 nan 8.210 nan 0.000 0.454 170 V N 1.283 121.231 119.914 0.056 0.000 2.769 170 V HA 0.549 4.790 4.120 0.203 0.000 0.312 170 V C 0.305 176.412 176.094 0.022 0.000 1.058 170 V CA -0.608 61.708 62.300 0.026 0.000 0.952 170 V CB 1.603 33.432 31.823 0.011 0.000 1.019 170 V HN 0.836 nan 8.190 nan 0.000 0.445 171 D N 0.371 120.774 120.400 0.006 0.000 2.713 171 D HA -0.229 4.533 4.640 0.203 0.000 0.231 171 D C 0.584 176.892 176.300 0.013 0.000 1.173 171 D CA 1.202 55.202 54.000 0.001 0.000 0.628 171 D CB -0.493 40.305 40.800 -0.002 0.000 1.033 171 D HN 0.859 nan 8.370 nan 0.000 0.419 172 L N -0.142 121.097 121.223 0.027 0.000 1.933 172 L HA -0.094 4.367 4.340 0.203 0.000 0.220 172 L C 0.818 177.709 176.870 0.034 0.000 1.078 172 L CA 1.638 56.505 54.840 0.046 0.000 0.773 172 L CB -0.502 41.606 42.059 0.081 0.000 0.890 172 L HN 0.094 nan 8.230 nan 0.000 0.434 173 V N 2.465 122.393 119.914 0.024 0.000 2.400 173 V HA -0.021 4.220 4.120 0.203 0.000 0.263 173 V C 1.522 177.622 176.094 0.010 0.000 1.026 173 V CA -0.097 62.215 62.300 0.020 0.000 1.077 173 V CB -0.225 31.600 31.823 0.002 0.000 1.054 173 V HN 0.414 nan 8.190 nan 0.000 0.477 174 K N 3.659 124.067 120.400 0.015 0.000 2.025 174 K HA 0.021 4.463 4.320 0.203 0.000 0.207 174 K C 0.892 177.498 176.600 0.010 0.000 1.049 174 K CA 1.607 57.899 56.287 0.009 0.000 0.933 174 K CB 0.151 32.656 32.500 0.008 0.000 0.714 174 K HN 0.846 nan 8.250 nan 0.000 0.438 175 E N 0.894 121.105 120.200 0.018 0.000 2.291 175 E HA 0.470 4.941 4.350 0.203 0.000 0.276 175 E C -0.899 175.721 176.600 0.034 0.000 0.896 175 E CA -0.399 56.014 56.400 0.022 0.000 0.774 175 E CB 0.878 30.588 29.700 0.017 0.000 1.227 175 E HN 0.086 nan 8.360 nan 0.000 0.413 176 L N 1.084 122.334 121.223 0.045 0.000 2.490 176 L HA 0.444 4.906 4.340 0.203 0.000 0.245 176 L C 0.681 177.585 176.870 0.057 0.000 1.185 176 L CA -0.491 54.389 54.840 0.068 0.000 0.813 176 L CB 1.308 43.432 42.059 0.109 0.000 1.233 176 L HN 0.845 nan 8.230 nan 0.000 0.489 177 D N -1.068 119.366 120.400 0.058 0.000 2.481 177 D HA 0.321 5.082 4.640 0.203 0.000 0.283 177 D C 0.630 176.960 176.300 0.049 0.000 1.192 177 D CA 0.447 54.470 54.000 0.038 0.000 1.100 177 D CB 1.031 41.841 40.800 0.016 0.000 1.166 177 D HN 0.426 nan 8.370 nan 0.000 0.584 178 R N -0.245 120.276 120.500 0.035 0.000 2.320 178 R HA 0.044 4.506 4.340 0.203 0.000 0.193 178 R C 1.218 177.541 176.300 0.038 0.000 0.885 178 R CA 1.177 57.304 56.100 0.045 0.000 1.085 178 R CB -0.878 29.443 30.300 0.035 0.000 1.253 178 R HN 0.635 nan 8.270 nan 0.000 0.636 179 D N 0.498 120.904 120.400 0.010 0.000 2.340 179 D HA 0.063 4.825 4.640 0.203 0.000 0.217 179 D C -0.219 176.040 176.300 -0.067 0.000 1.081 179 D CA 0.248 54.244 54.000 -0.005 0.000 0.842 179 D CB -0.484 40.316 40.800 0.001 0.000 0.934 179 D HN 0.223 nan 8.370 nan 0.000 0.511 180 T N 0.324 114.805 114.554 -0.122 0.000 2.906 180 T HA 0.173 4.645 4.350 0.203 0.000 0.329 180 T C 1.391 175.734 174.700 -0.595 0.000 1.091 180 T CA 0.921 62.820 62.100 -0.334 0.000 1.127 180 T CB 1.650 70.274 68.868 -0.406 0.000 1.035 180 T HN 0.252 nan 8.240 nan 0.000 0.547 181 V N -1.508 117.996 119.914 -0.685 0.000 3.643 181 V HA 0.516 4.758 4.120 0.203 0.000 0.271 181 V C -0.580 175.406 176.094 -0.179 0.000 1.698 181 V CA -0.455 61.559 62.300 -0.477 0.000 1.113 181 V CB 0.113 31.876 31.823 -0.099 0.000 0.930 181 V HN 0.646 nan 8.190 nan 0.000 0.395 182 F N 1.866 121.590 119.950 -0.376 0.000 2.651 182 F HA 0.887 5.537 4.527 0.205 0.000 0.329 182 F C -0.755 175.049 175.800 0.006 0.000 1.186 182 F CA -0.854 57.115 58.000 -0.051 0.000 1.046 182 F CB 1.440 40.417 39.000 -0.037 0.000 1.296 182 F HN 0.335 nan 8.300 nan 0.000 0.497 183 A N 6.476 129.515 122.820 0.365 0.000 2.414 183 A HA 0.812 5.254 4.320 0.203 0.000 0.306 183 A C -2.237 175.457 177.584 0.184 0.000 1.054 183 A CA -0.704 51.451 52.037 0.196 0.000 0.724 183 A CB 1.879 21.120 19.000 0.401 0.000 1.267 183 A HN 0.858 nan 8.150 nan 0.000 0.418 184 L N 3.212 124.454 121.223 0.031 0.000 2.372 184 L HA 0.636 5.097 4.340 0.203 0.000 0.274 184 L C -1.533 175.449 176.870 0.188 0.000 0.988 184 L CA -0.707 54.157 54.840 0.039 0.000 0.833 184 L CB 1.616 43.525 42.059 -0.251 0.000 1.236 184 L HN 0.487 nan 8.230 nan 0.000 0.410 185 V N 4.185 124.304 119.914 0.341 0.000 2.384 185 V HA 0.401 4.642 4.120 0.203 0.000 0.287 185 V C -0.400 175.874 176.094 0.301 0.000 1.020 185 V CA -0.615 61.930 62.300 0.408 0.000 0.850 185 V CB 1.811 34.023 31.823 0.649 0.000 0.987 185 V HN 0.750 nan 8.190 nan 0.000 0.436 186 N N 3.856 122.702 118.700 0.242 0.000 2.354 186 N HA 0.599 5.460 4.740 0.203 0.000 0.287 186 N C -1.067 174.584 175.510 0.235 0.000 1.016 186 N CA -0.567 52.556 53.050 0.122 0.000 0.871 186 N CB 1.434 39.987 38.487 0.111 0.000 1.299 186 N HN 0.618 nan 8.380 nan 0.000 0.482 187 Y N 2.526 122.902 120.300 0.127 0.000 2.630 187 Y HA 0.815 5.486 4.550 0.201 0.000 0.337 187 Y C -1.041 174.842 175.900 -0.028 0.000 1.051 187 Y CA -1.645 56.459 58.100 0.006 0.000 1.121 187 Y CB 1.164 39.619 38.460 -0.008 0.000 1.299 187 Y HN 0.417 nan 8.280 nan 0.000 0.498 188 I N 2.255 122.898 120.570 0.122 0.000 2.767 188 I HA 0.335 4.626 4.170 0.203 0.000 0.281 188 I C -2.354 173.797 176.117 0.057 0.000 1.532 188 I CA -0.376 61.046 61.300 0.204 0.000 1.103 188 I CB 0.613 38.795 38.000 0.303 0.000 1.466 188 I HN 0.596 nan 8.210 nan 0.000 0.421 189 F N 7.842 128.043 119.950 0.418 0.000 2.425 189 F HA 0.719 5.369 4.527 0.205 0.000 0.331 189 F C -0.533 175.480 175.800 0.355 0.000 1.085 189 F CA -0.773 57.409 58.000 0.303 0.000 1.028 189 F CB 1.678 40.784 39.000 0.177 0.000 1.177 189 F HN 0.320 nan 8.300 nan 0.000 0.487 190 F N 2.473 122.550 119.950 0.211 0.000 2.635 190 F HA 0.495 5.144 4.527 0.202 0.000 0.314 190 F C -1.462 174.289 175.800 -0.083 0.000 1.119 190 F CA -0.983 57.038 58.000 0.035 0.000 1.000 190 F CB 1.655 40.570 39.000 -0.141 0.000 1.278 190 F HN 0.471 nan 8.300 nan 0.000 0.446 191 K N 4.574 124.391 120.400 -0.971 0.000 2.695 191 K HA 0.615 5.056 4.320 0.203 0.000 0.255 191 K C -1.137 174.842 176.600 -1.034 0.000 1.016 191 K CA -0.504 55.281 56.287 -0.838 0.000 0.928 191 K CB 1.351 33.622 32.500 -0.382 0.000 1.235 191 K HN 0.923 nan 8.250 nan 0.000 0.467 192 G N 2.758 110.851 108.800 -1.178 0.000 2.471 192 G HA2 0.505 4.586 3.960 0.203 0.000 0.332 192 G HA3 0.505 4.586 3.960 0.203 0.000 0.332 192 G C -1.215 173.416 174.900 -0.448 0.000 1.176 192 G CA -0.685 43.933 45.100 -0.803 0.000 0.949 192 G HN 0.429 nan 8.290 nan 0.000 0.488 193 K N -0.192 120.067 120.400 -0.235 0.000 2.164 193 K HA 0.420 4.862 4.320 0.203 0.000 0.258 193 K C -1.040 175.547 176.600 -0.022 0.000 0.951 193 K CA -0.426 55.769 56.287 -0.153 0.000 0.844 193 K CB 1.828 34.317 32.500 -0.019 0.000 1.099 193 K HN 0.573 nan 8.250 nan 0.000 0.435 194 W N 1.071 122.488 121.300 0.196 0.000 2.253 194 W HA 0.245 5.024 4.660 0.198 0.000 0.348 194 W C 1.478 178.086 176.519 0.149 0.000 1.229 194 W CA -0.428 57.012 57.345 0.159 0.000 1.335 194 W CB 0.395 29.942 29.460 0.144 0.000 1.165 194 W HN 0.684 nan 8.180 nan 0.000 0.631 195 E N 0.261 120.705 120.200 0.407 0.000 2.016 195 E HA -0.080 4.391 4.350 0.203 0.000 0.190 195 E C 0.272 176.996 176.600 0.207 0.000 0.985 195 E CA 0.980 57.531 56.400 0.252 0.000 0.802 195 E CB 0.058 29.882 29.700 0.207 0.000 0.762 195 E HN 0.245 nan 8.360 nan 0.000 0.448 196 R N 1.842 122.458 120.500 0.193 0.000 2.278 196 R HA 0.245 4.706 4.340 0.203 0.000 0.322 196 R C -2.300 174.072 176.300 0.119 0.000 1.058 196 R CA -1.648 54.503 56.100 0.085 0.000 0.991 196 R CB 1.212 31.491 30.300 -0.034 0.000 1.140 196 R HN 0.166 nan 8.270 nan 0.000 0.518 197 P HA 0.024 nan 4.420 nan 0.000 0.274 197 P C -0.770 176.639 177.300 0.181 0.000 1.260 197 P CA -0.032 63.265 63.100 0.329 0.000 0.793 197 P CB 0.703 32.563 31.700 0.267 0.000 1.048 198 F N -0.676 119.288 119.950 0.023 0.000 2.436 198 F HA 0.265 4.914 4.527 0.203 0.000 0.340 198 F C 1.042 176.840 175.800 -0.005 0.000 1.113 198 F CA -0.940 57.044 58.000 -0.026 0.000 1.022 198 F CB 1.231 40.195 39.000 -0.060 0.000 1.128 198 F HN 0.197 nan 8.300 nan 0.000 0.466 199 E N 1.326 121.587 120.200 0.102 0.000 2.392 199 E HA 0.105 4.576 4.350 0.203 0.000 0.264 199 E C 0.471 177.118 176.600 0.079 0.000 1.024 199 E CA -0.267 56.172 56.400 0.065 0.000 0.903 199 E CB 1.001 30.709 29.700 0.014 0.000 0.963 199 E HN 0.421 nan 8.360 nan 0.000 0.432 200 V N 3.321 123.271 119.914 0.059 0.000 2.488 200 V HA -0.226 4.015 4.120 0.203 0.000 0.246 200 V C 2.012 178.122 176.094 0.027 0.000 1.046 200 V CA 1.899 64.226 62.300 0.045 0.000 1.053 200 V CB -0.746 31.096 31.823 0.033 0.000 0.679 200 V HN 0.757 nan 8.190 nan 0.000 0.458 201 K N 0.512 120.924 120.400 0.019 0.000 2.442 201 K HA -0.232 4.209 4.320 0.203 0.000 0.199 201 K C 1.180 177.783 176.600 0.005 0.000 1.044 201 K CA 2.215 58.508 56.287 0.009 0.000 0.941 201 K CB -0.265 32.237 32.500 0.005 0.000 0.759 201 K HN 0.402 nan 8.250 nan 0.000 0.472 202 D N 0.362 120.767 120.400 0.009 0.000 2.324 202 D HA 0.017 4.779 4.640 0.203 0.000 0.212 202 D C -0.130 176.169 176.300 -0.002 0.000 0.984 202 D CA 0.582 54.581 54.000 -0.003 0.000 0.885 202 D CB 0.293 41.087 40.800 -0.010 0.000 0.996 202 D HN 0.104 nan 8.370 nan 0.000 0.505 203 T N 1.425 115.988 114.554 0.015 0.000 2.932 203 T HA 0.261 4.732 4.350 0.203 0.000 0.312 203 T C 0.004 174.705 174.700 0.001 0.000 1.071 203 T CA 0.167 62.270 62.100 0.006 0.000 1.128 203 T CB 0.561 69.434 68.868 0.007 0.000 0.984 203 T HN 0.198 nan 8.240 nan 0.000 0.549 204 E N 0.868 121.069 120.200 0.002 0.000 2.380 204 E HA 0.320 4.792 4.350 0.203 0.000 0.281 204 E C -1.370 175.245 176.600 0.024 0.000 0.999 204 E CA -1.050 55.357 56.400 0.012 0.000 0.800 204 E CB 1.166 30.873 29.700 0.013 0.000 1.228 204 E HN 0.442 nan 8.360 nan 0.000 0.436 205 E N 0.998 121.213 120.200 0.024 0.000 2.452 205 E HA 0.043 4.515 4.350 0.203 0.000 0.261 205 E C -0.597 176.032 176.600 0.048 0.000 0.987 205 E CA 0.923 57.343 56.400 0.033 0.000 0.926 205 E CB 0.771 30.488 29.700 0.028 0.000 0.934 205 E HN 0.385 nan 8.360 nan 0.000 0.452 206 E N 1.311 121.548 120.200 0.062 0.000 2.445 206 E HA 0.138 4.609 4.350 0.203 0.000 0.279 206 E C -1.541 175.104 176.600 0.074 0.000 1.018 206 E CA -0.738 55.703 56.400 0.068 0.000 0.816 206 E CB 1.389 31.143 29.700 0.089 0.000 1.356 206 E HN 0.294 nan 8.360 nan 0.000 0.462 207 D N 1.152 121.578 120.400 0.043 0.000 2.350 207 D HA 0.162 4.924 4.640 0.203 0.000 0.249 207 D C -0.974 175.306 176.300 -0.032 0.000 1.119 207 D CA 0.459 54.476 54.000 0.028 0.000 0.886 207 D CB 0.598 41.410 40.800 0.021 0.000 1.195 207 D HN 0.201 nan 8.370 nan 0.000 0.437 208 F N 3.465 123.354 119.950 -0.102 0.000 2.500 208 F HA 0.125 4.767 4.527 0.192 0.000 0.349 208 F C -0.301 175.493 175.800 -0.009 0.000 1.127 208 F CA -0.826 57.117 58.000 -0.096 0.000 0.998 208 F CB 0.678 39.694 39.000 0.028 0.000 1.237 208 F HN 0.224 nan 8.300 nan 0.000 0.439 209 H N 6.443 125.351 119.070 -0.269 0.000 3.232 209 H HA 0.080 4.756 4.556 0.199 0.000 0.254 209 H C 1.289 176.506 175.328 -0.185 0.000 1.213 209 H CA 0.294 56.246 56.048 -0.159 0.000 1.503 209 H CB 0.940 30.616 29.762 -0.144 0.000 1.563 209 H HN 0.662 nan 8.280 nan 0.000 0.490 210 V N 1.774 121.808 119.914 0.200 0.000 2.591 210 V HA -0.038 4.204 4.120 0.203 0.000 0.249 210 V C 0.482 176.667 176.094 0.153 0.000 1.053 210 V CA 1.451 63.907 62.300 0.260 0.000 1.068 210 V CB 0.296 32.315 31.823 0.326 0.000 0.689 210 V HN 0.542 nan 8.190 nan 0.000 0.462 211 D N -2.271 118.201 120.400 0.120 0.000 2.610 211 D HA 0.295 5.057 4.640 0.203 0.000 0.271 211 D C 0.359 176.678 176.300 0.031 0.000 1.174 211 D CA -0.475 53.569 54.000 0.072 0.000 0.949 211 D CB 1.608 42.450 40.800 0.069 0.000 1.430 211 D HN 0.063 nan 8.370 nan 0.000 0.467 212 Q N -0.052 119.750 119.800 0.004 0.000 2.515 212 Q HA 0.017 4.478 4.340 0.203 0.000 0.212 212 Q C 1.394 177.375 176.000 -0.031 0.000 0.970 212 Q CA 0.749 56.530 55.803 -0.036 0.000 0.941 212 Q CB 0.686 29.407 28.738 -0.027 0.000 0.998 212 Q HN 0.403 nan 8.270 nan 0.000 0.518 213 V N -4.877 115.038 119.914 0.002 0.000 3.102 213 V HA 0.153 4.395 4.120 0.203 0.000 0.225 213 V C 0.950 177.066 176.094 0.036 0.000 1.301 213 V CA -0.089 62.217 62.300 0.011 0.000 1.308 213 V CB 0.324 32.156 31.823 0.015 0.000 1.129 213 V HN -0.055 nan 8.190 nan 0.000 0.502 214 T N 2.515 117.103 114.554 0.057 0.000 2.898 214 T HA 0.552 5.023 4.350 0.203 0.000 0.301 214 T C -0.093 174.680 174.700 0.122 0.000 1.049 214 T CA 0.572 62.722 62.100 0.083 0.000 1.095 214 T CB 0.983 69.904 68.868 0.089 0.000 0.976 214 T HN 0.629 nan 8.240 nan 0.000 0.539 215 T N 1.716 116.353 114.554 0.139 0.000 3.295 215 T HA 0.495 4.967 4.350 0.203 0.000 0.331 215 T C -0.507 174.292 174.700 0.166 0.000 1.142 215 T CA -0.814 61.401 62.100 0.192 0.000 1.078 215 T CB 1.156 70.143 68.868 0.198 0.000 1.150 215 T HN 0.691 nan 8.240 nan 0.000 0.465 216 V N 0.820 120.856 119.914 0.203 0.000 2.769 216 V HA 0.792 5.034 4.120 0.203 0.000 0.312 216 V C -0.469 175.708 176.094 0.138 0.000 1.058 216 V CA -1.047 61.341 62.300 0.146 0.000 0.952 216 V CB 1.755 33.653 31.823 0.124 0.000 1.019 216 V HN 0.546 nan 8.190 nan 0.000 0.445 217 K N 2.649 123.102 120.400 0.088 0.000 2.205 217 K HA 0.719 5.160 4.320 0.203 0.000 0.279 217 K C -0.462 176.169 176.600 0.052 0.000 1.027 217 K CA -0.184 56.147 56.287 0.074 0.000 0.932 217 K CB 1.627 34.159 32.500 0.053 0.000 1.032 217 K HN 1.243 nan 8.250 nan 0.000 0.466 218 V N -0.299 119.647 119.914 0.054 0.000 3.012 218 V HA 0.539 4.781 4.120 0.203 0.000 0.307 218 V C -2.784 173.323 176.094 0.022 0.000 1.166 218 V CA -2.398 59.911 62.300 0.015 0.000 0.974 218 V CB 2.257 34.062 31.823 -0.029 0.000 1.040 218 V HN 0.536 nan 8.190 nan 0.000 0.428 219 P HA 0.285 nan 4.420 nan 0.000 0.271 219 P C -0.896 176.403 177.300 -0.002 0.000 1.226 219 P CA 0.078 63.177 63.100 -0.002 0.000 0.765 219 P CB 1.040 32.729 31.700 -0.017 0.000 0.835 220 M N 5.251 124.859 119.600 0.014 0.000 2.023 220 M HA 0.312 4.913 4.480 0.203 0.000 0.325 220 M C -0.288 175.997 176.300 -0.024 0.000 0.963 220 M CA -0.670 54.641 55.300 0.018 0.000 0.928 220 M CB 0.412 33.069 32.600 0.094 0.000 1.429 220 M HN 0.217 nan 8.290 nan 0.000 0.404 221 M N 4.206 123.768 119.600 -0.064 0.000 2.239 221 M HA 0.227 4.828 4.480 0.203 0.000 0.348 221 M C -0.384 175.946 176.300 0.050 0.000 1.239 221 M CA 0.808 56.098 55.300 -0.017 0.000 1.114 221 M CB 0.176 32.640 32.600 -0.227 0.000 1.641 221 M HN 0.465 nan 8.290 nan 0.000 0.453 222 K N 2.484 122.926 120.400 0.070 0.000 2.464 222 K HA 0.762 5.203 4.320 0.203 0.000 0.253 222 K C -1.041 175.498 176.600 -0.101 0.000 0.933 222 K CA -0.952 55.268 56.287 -0.111 0.000 0.801 222 K CB 3.074 35.357 32.500 -0.362 0.000 1.271 222 K HN 0.590 nan 8.250 nan 0.000 0.430 223 R N 2.127 122.524 120.500 -0.172 0.000 2.563 223 R HA 0.230 4.692 4.340 0.203 0.000 0.262 223 R C -1.989 174.226 176.300 -0.141 0.000 1.128 223 R CA -0.815 55.138 56.100 -0.245 0.000 0.969 223 R CB 1.072 31.031 30.300 -0.568 0.000 1.251 223 R HN 0.519 nan 8.270 nan 0.000 0.442 224 L N 3.794 124.936 121.223 -0.135 0.000 2.281 224 L HA 0.816 5.278 4.340 0.203 0.000 0.285 224 L C -0.435 176.325 176.870 -0.184 0.000 1.074 224 L CA 0.577 55.361 54.840 -0.094 0.000 0.817 224 L CB 1.078 43.089 42.059 -0.081 0.000 1.168 224 L HN 0.767 nan 8.230 nan 0.000 0.434 225 G N 4.519 113.174 108.800 -0.242 0.000 2.645 225 G HA2 0.437 4.519 3.960 0.203 0.000 0.292 225 G HA3 0.437 4.519 3.960 0.203 0.000 0.292 225 G C -1.369 173.186 174.900 -0.575 0.000 1.415 225 G CA -0.940 43.849 45.100 -0.517 0.000 0.785 225 G HN 0.347 nan 8.290 nan 0.000 0.483 226 M N 0.793 120.037 119.600 -0.592 0.000 2.084 226 M HA 0.531 5.133 4.480 0.203 0.000 0.351 226 M C -1.351 174.665 176.300 -0.474 0.000 1.240 226 M CA -0.473 54.608 55.300 -0.365 0.000 1.083 226 M CB 0.090 32.559 32.600 -0.217 0.000 1.593 226 M HN 0.297 nan 8.290 nan 0.000 0.463 227 F N 1.201 121.141 119.950 -0.017 0.000 2.598 227 F HA 0.331 4.982 4.527 0.207 0.000 0.327 227 F C 1.021 176.845 175.800 0.040 0.000 1.057 227 F CA -1.075 56.930 58.000 0.007 0.000 0.957 227 F CB 1.161 40.163 39.000 0.003 0.000 1.278 227 F HN 0.474 nan 8.300 nan 0.000 0.484 228 N N 1.330 120.225 118.700 0.325 0.000 2.575 228 N HA 0.239 5.100 4.740 0.203 0.000 0.275 228 N C -0.683 174.973 175.510 0.243 0.000 1.202 228 N CA -0.009 53.154 53.050 0.188 0.000 0.945 228 N CB -0.116 38.471 38.487 0.166 0.000 1.247 228 N HN 0.501 nan 8.380 nan 0.000 0.510 229 I N 0.749 121.491 120.570 0.286 0.000 2.577 229 I HA 0.272 4.564 4.170 0.203 0.000 0.300 229 I C -0.931 175.414 176.117 0.379 0.000 0.990 229 I CA -0.388 61.111 61.300 0.331 0.000 1.283 229 I CB 0.871 39.003 38.000 0.219 0.000 1.411 229 I HN 0.343 nan 8.210 nan 0.000 0.515 230 Q N 5.692 125.796 119.800 0.507 0.000 2.545 230 Q HA 0.202 4.664 4.340 0.203 0.000 0.273 230 Q C -1.703 174.433 176.000 0.226 0.000 0.975 230 Q CA -0.919 55.107 55.803 0.373 0.000 0.876 230 Q CB 0.770 29.607 28.738 0.166 0.000 1.472 230 Q HN 0.718 nan 8.270 nan 0.000 0.389 231 H N 2.310 121.173 119.070 -0.346 0.000 3.008 231 H HA 0.225 4.905 4.556 0.206 0.000 0.268 231 H C -0.832 174.327 175.328 -0.282 0.000 1.323 231 H CA -0.287 55.338 56.048 -0.705 0.000 1.401 231 H CB 0.290 29.209 29.762 -1.405 0.000 1.556 231 H HN 0.742 nan 8.280 nan 0.000 0.502 232 C N 6.585 125.800 119.300 -0.141 0.000 2.624 232 C HA 0.101 4.683 4.460 0.203 0.000 0.397 232 C C 1.550 176.557 174.990 0.028 0.000 1.331 232 C CA -0.425 58.605 59.018 0.021 0.000 1.716 232 C CB -0.822 26.983 27.740 0.108 0.000 2.452 232 C HN 0.896 nan 8.230 nan 0.000 0.586 233 K N 3.373 123.834 120.400 0.103 0.000 2.155 233 K HA -0.125 4.316 4.320 0.203 0.000 0.203 233 K C 2.059 178.714 176.600 0.091 0.000 1.052 233 K CA 1.303 57.654 56.287 0.106 0.000 0.948 233 K CB 0.041 32.579 32.500 0.063 0.000 0.728 233 K HN 0.749 nan 8.250 nan 0.000 0.448 234 K N 1.188 121.639 120.400 0.085 0.000 2.057 234 K HA -0.077 4.365 4.320 0.203 0.000 0.207 234 K C 1.617 178.302 176.600 0.141 0.000 1.049 234 K CA 1.100 57.445 56.287 0.096 0.000 0.931 234 K CB 0.099 32.639 32.500 0.066 0.000 0.714 234 K HN 0.050 nan 8.250 nan 0.000 0.440 235 L N 0.024 121.311 121.223 0.107 0.000 2.567 235 L HA 0.095 4.557 4.340 0.203 0.000 0.225 235 L C 0.542 177.522 176.870 0.183 0.000 1.119 235 L CA -0.151 54.752 54.840 0.104 0.000 0.871 235 L CB 0.368 42.464 42.059 0.062 0.000 1.036 235 L HN 0.117 nan 8.230 nan 0.000 0.459 236 S N 0.819 116.589 115.700 0.118 0.000 3.527 236 S HA -0.151 4.441 4.470 0.203 0.000 0.409 236 S C -0.206 174.396 174.600 0.003 0.000 0.900 236 S CA 0.426 58.672 58.200 0.076 0.000 1.320 236 S CB -1.049 62.178 63.200 0.046 0.000 0.915 236 S HN 0.671 nan 8.310 nan 0.000 0.575 237 S N 0.343 115.903 115.700 -0.234 0.000 2.678 237 S HA 0.419 5.011 4.470 0.203 0.000 0.290 237 S C -0.860 173.531 174.600 -0.349 0.000 1.047 237 S CA -1.120 56.955 58.200 -0.209 0.000 0.851 237 S CB -0.012 63.243 63.200 0.093 0.000 1.058 237 S HN 0.511 nan 8.310 nan 0.000 0.451 238 W N 1.243 122.383 121.300 -0.267 0.000 2.181 238 W HA 0.527 5.305 4.660 0.196 0.000 0.335 238 W C -0.180 176.339 176.519 0.001 0.000 1.310 238 W CA -0.085 57.170 57.345 -0.150 0.000 1.226 238 W CB 0.796 30.192 29.460 -0.106 0.000 1.155 238 W HN 0.556 nan 8.180 nan 0.000 0.565 239 V N 5.580 125.680 119.914 0.310 0.000 2.443 239 V HA 0.366 4.608 4.120 0.203 0.000 0.293 239 V C -0.694 175.521 176.094 0.200 0.000 1.021 239 V CA -1.015 61.328 62.300 0.071 0.000 0.848 239 V CB 1.035 32.811 31.823 -0.078 0.000 0.998 239 V HN 0.375 nan 8.190 nan 0.000 0.424 240 L N 5.369 126.651 121.223 0.099 0.000 2.334 240 L HA 0.805 5.267 4.340 0.203 0.000 0.276 240 L C -0.968 175.968 176.870 0.110 0.000 1.014 240 L CA -0.497 54.432 54.840 0.149 0.000 0.815 240 L CB 1.783 43.892 42.059 0.084 0.000 1.268 240 L HN 0.661 nan 8.230 nan 0.000 0.428 241 L N 5.369 126.721 121.223 0.215 0.000 2.333 241 L HA 0.653 5.114 4.340 0.203 0.000 0.280 241 L C -1.306 175.691 176.870 0.211 0.000 1.004 241 L CA -0.212 54.771 54.840 0.239 0.000 0.820 241 L CB 1.491 43.793 42.059 0.405 0.000 1.247 241 L HN 0.582 nan 8.230 nan 0.000 0.416 242 M N 4.994 124.724 119.600 0.216 0.000 2.093 242 M HA 0.383 4.984 4.480 0.203 0.000 0.297 242 M C -0.695 175.763 176.300 0.263 0.000 0.938 242 M CA -0.500 54.910 55.300 0.183 0.000 0.920 242 M CB 1.718 34.331 32.600 0.021 0.000 1.517 242 M HN 0.550 nan 8.290 nan 0.000 0.427 243 K N 1.713 122.275 120.400 0.271 0.000 2.237 243 K HA 0.359 4.801 4.320 0.203 0.000 0.270 243 K C -1.098 175.715 176.600 0.355 0.000 1.015 243 K CA -0.055 56.409 56.287 0.294 0.000 0.949 243 K CB 0.951 33.599 32.500 0.247 0.000 0.976 243 K HN 0.354 nan 8.250 nan 0.000 0.472 244 Y N 1.144 121.656 120.300 0.355 0.000 2.453 244 Y HA 0.221 4.890 4.550 0.200 0.000 0.326 244 Y C -0.092 175.926 175.900 0.198 0.000 1.186 244 Y CA -0.927 57.336 58.100 0.271 0.000 1.200 244 Y CB 0.953 39.544 38.460 0.220 0.000 1.247 244 Y HN 0.355 nan 8.280 nan 0.000 0.482 245 L N 2.892 124.342 121.223 0.378 0.000 2.407 245 L HA 0.502 4.964 4.340 0.203 0.000 0.282 245 L C 0.359 177.347 176.870 0.197 0.000 1.110 245 L CA 1.087 56.064 54.840 0.229 0.000 0.863 245 L CB -0.944 41.212 42.059 0.161 0.000 1.207 245 L HN 0.805 nan 8.230 nan 0.000 0.454 246 G N 3.796 112.704 108.800 0.180 0.000 2.265 246 G HA2 -0.135 3.946 3.960 0.203 0.000 0.246 246 G HA3 -0.135 3.946 3.960 0.203 0.000 0.246 246 G C -0.820 174.175 174.900 0.158 0.000 1.299 246 G CA -0.209 44.980 45.100 0.148 0.000 1.117 246 G HN 0.793 nan 8.290 nan 0.000 0.485 247 N N 1.244 120.026 118.700 0.137 0.000 3.271 247 N HA 0.585 5.447 4.740 0.203 0.000 0.303 247 N C -0.004 175.589 175.510 0.138 0.000 1.415 247 N CA 0.503 53.629 53.050 0.126 0.000 1.159 247 N CB 1.109 39.651 38.487 0.092 0.000 1.432 247 N HN 1.457 nan 8.380 nan 0.000 0.521 248 A N 0.052 122.997 122.820 0.208 0.000 2.593 248 A HA 0.875 5.317 4.320 0.203 0.000 0.290 248 A C -0.942 176.880 177.584 0.396 0.000 1.126 248 A CA -0.520 51.667 52.037 0.251 0.000 0.695 248 A CB 1.760 20.869 19.000 0.181 0.000 1.290 248 A HN 0.186 nan 8.150 nan 0.000 0.414 249 T N 0.269 115.082 114.554 0.431 0.000 3.291 249 T HA 0.624 5.095 4.350 0.203 0.000 0.344 249 T C -0.754 174.169 174.700 0.371 0.000 1.293 249 T CA 0.217 62.556 62.100 0.398 0.000 1.108 249 T CB 1.468 70.493 68.868 0.263 0.000 1.231 249 T HN 1.720 nan 8.240 nan 0.000 0.474 250 A N 3.463 126.487 122.820 0.340 0.000 2.304 250 A HA 0.895 5.336 4.320 0.203 0.000 0.323 250 A C -0.485 177.114 177.584 0.024 0.000 1.195 250 A CA -0.701 51.459 52.037 0.205 0.000 0.826 250 A CB 0.382 19.547 19.000 0.276 0.000 1.184 250 A HN 0.832 nan 8.150 nan 0.000 0.496 251 I N 2.225 122.710 120.570 -0.141 0.000 2.389 251 I HA 0.380 4.671 4.170 0.203 0.000 0.288 251 I C -1.253 174.615 176.117 -0.414 0.000 0.999 251 I CA -0.178 60.957 61.300 -0.274 0.000 1.129 251 I CB 1.312 39.098 38.000 -0.356 0.000 1.288 251 I HN 0.535 nan 8.210 nan 0.000 0.444 252 F N 5.564 125.382 119.950 -0.219 0.000 2.443 252 F HA 0.540 5.187 4.527 0.200 0.000 0.335 252 F C -0.393 175.376 175.800 -0.052 0.000 1.104 252 F CA -0.549 57.454 58.000 0.004 0.000 1.013 252 F CB 1.392 40.258 39.000 -0.222 0.000 1.136 252 F HN 0.186 nan 8.300 nan 0.000 0.470 253 F N 4.090 124.372 119.950 0.553 0.000 2.460 253 F HA 0.459 5.125 4.527 0.233 0.000 0.341 253 F C -0.694 175.431 175.800 0.542 0.000 1.130 253 F CA -0.952 57.295 58.000 0.412 0.000 0.962 253 F CB 1.555 40.687 39.000 0.220 0.000 1.171 253 F HN 0.157 nan 8.300 nan 0.000 0.436 254 L N 7.581 129.140 121.223 0.561 0.000 2.277 254 L HA 0.606 5.068 4.340 0.203 0.000 0.284 254 L C -2.582 174.440 176.870 0.254 0.000 1.028 254 L CA -2.714 52.320 54.840 0.325 0.000 0.835 254 L CB 0.840 42.750 42.059 -0.249 0.000 1.215 254 L HN 0.179 nan 8.230 nan 0.000 0.425 255 P HA 0.179 nan 4.420 nan 0.000 0.286 255 P C -0.884 176.501 177.300 0.141 0.000 1.269 255 P CA -0.377 62.831 63.100 0.180 0.000 0.787 255 P CB 1.067 32.877 31.700 0.184 0.000 0.920 256 D N 1.764 122.237 120.400 0.121 0.000 2.364 256 D HA -0.016 4.745 4.640 0.203 0.000 0.236 256 D C 0.526 176.876 176.300 0.083 0.000 1.221 256 D CA 0.359 54.426 54.000 0.111 0.000 0.891 256 D CB 0.274 41.135 40.800 0.102 0.000 1.190 256 D HN 0.396 nan 8.370 nan 0.000 0.449 257 E N 0.209 120.447 120.200 0.065 0.000 2.868 257 E HA 0.080 4.551 4.350 0.203 0.000 0.246 257 E C 1.161 177.785 176.600 0.041 0.000 0.962 257 E CA 0.718 57.146 56.400 0.047 0.000 0.955 257 E CB -0.099 29.619 29.700 0.030 0.000 0.903 257 E HN 0.707 nan 8.360 nan 0.000 0.524 258 G N 3.856 112.686 108.800 0.049 0.000 2.205 258 G HA2 -0.345 3.737 3.960 0.203 0.000 0.269 258 G HA3 -0.345 3.737 3.960 0.203 0.000 0.269 258 G C 0.871 175.805 174.900 0.057 0.000 0.977 258 G CA 0.386 45.514 45.100 0.047 0.000 0.652 258 G HN 0.424 nan 8.290 nan 0.000 0.539 259 K N -0.282 120.159 120.400 0.067 0.000 2.458 259 K HA 0.291 4.733 4.320 0.203 0.000 0.194 259 K C 2.229 178.906 176.600 0.128 0.000 1.024 259 K CA 0.417 56.756 56.287 0.087 0.000 1.108 259 K CB -0.050 32.492 32.500 0.072 0.000 0.846 259 K HN 0.489 nan 8.250 nan 0.000 0.518 260 L N 1.544 122.835 121.223 0.114 0.000 1.989 260 L HA -0.266 4.196 4.340 0.203 0.000 0.211 260 L C 2.406 179.337 176.870 0.101 0.000 1.071 260 L CA 2.038 56.950 54.840 0.119 0.000 0.749 260 L CB -0.629 41.503 42.059 0.122 0.000 0.890 260 L HN 0.106 nan 8.230 nan 0.000 0.431 261 Q N -0.902 118.956 119.800 0.097 0.000 2.045 261 Q HA -0.310 4.152 4.340 0.203 0.000 0.206 261 Q C 2.308 178.355 176.000 0.078 0.000 0.991 261 Q CA 2.347 58.200 55.803 0.083 0.000 0.851 261 Q CB -0.587 28.197 28.738 0.077 0.000 0.911 261 Q HN 0.773 nan 8.270 nan 0.000 0.418 262 H N -0.176 118.895 119.070 0.002 0.000 2.251 262 H HA -0.163 4.514 4.556 0.201 0.000 0.294 262 H C 1.940 177.238 175.328 -0.050 0.000 1.078 262 H CA 2.207 58.245 56.048 -0.018 0.000 1.246 262 H CB -0.660 29.097 29.762 -0.008 0.000 1.358 262 H HN 0.343 nan 8.280 nan 0.000 0.488 263 L N 0.516 121.745 121.223 0.009 0.000 1.991 263 L HA -0.301 4.161 4.340 0.203 0.000 0.221 263 L C 2.149 178.865 176.870 -0.256 0.000 1.079 263 L CA 2.426 57.191 54.840 -0.124 0.000 0.778 263 L CB -0.501 41.537 42.059 -0.035 0.000 0.893 263 L HN 0.567 nan 8.230 nan 0.000 0.437 264 E N -0.538 119.564 120.200 -0.164 0.000 2.267 264 E HA -0.210 4.261 4.350 0.203 0.000 0.197 264 E C 1.654 178.138 176.600 -0.193 0.000 0.998 264 E CA 1.047 57.342 56.400 -0.175 0.000 0.830 264 E CB -0.033 29.683 29.700 0.026 0.000 0.751 264 E HN 0.606 nan 8.360 nan 0.000 0.491 265 N N 0.374 118.954 118.700 -0.201 0.000 2.387 265 N HA -0.054 4.807 4.740 0.203 0.000 0.176 265 N C 1.297 176.637 175.510 -0.285 0.000 1.022 265 N CA 0.623 53.553 53.050 -0.200 0.000 0.883 265 N CB 0.217 38.618 38.487 -0.143 0.000 1.019 265 N HN 0.086 nan 8.380 nan 0.000 0.435 266 E N 0.756 120.715 120.200 -0.401 0.000 2.502 266 E HA 0.101 4.573 4.350 0.203 0.000 0.194 266 E C 0.375 176.762 176.600 -0.356 0.000 1.062 266 E CA -0.169 56.004 56.400 -0.379 0.000 0.867 266 E CB 0.261 29.668 29.700 -0.487 0.000 0.888 266 E HN 0.342 nan 8.360 nan 0.000 0.510 267 L N 1.917 122.859 121.223 -0.468 0.000 2.453 267 L HA 0.050 4.512 4.340 0.203 0.000 0.272 267 L C 0.582 177.052 176.870 -0.667 0.000 1.182 267 L CA 0.503 54.966 54.840 -0.629 0.000 0.858 267 L CB 0.439 41.944 42.059 -0.922 0.000 1.120 267 L HN 0.028 nan 8.230 nan 0.000 0.474 268 T N -1.678 112.591 114.554 -0.475 0.000 2.932 268 T HA 0.133 4.605 4.350 0.203 0.000 0.318 268 T C 0.680 175.449 174.700 0.115 0.000 1.265 268 T CA -0.761 61.228 62.100 -0.185 0.000 1.036 268 T CB 1.222 70.050 68.868 -0.066 0.000 1.209 268 T HN 0.657 nan 8.240 nan 0.000 0.484 269 H N 1.618 120.877 119.070 0.315 0.000 2.289 269 H HA -0.155 4.521 4.556 0.200 0.000 0.296 269 H C 1.329 176.748 175.328 0.152 0.000 1.091 269 H CA 2.487 58.704 56.048 0.281 0.000 1.274 269 H CB -0.021 29.855 29.762 0.191 0.000 1.364 269 H HN 0.794 nan 8.280 nan 0.000 0.490 270 D N 0.414 120.885 120.400 0.119 0.000 2.203 270 D HA -0.156 4.605 4.640 0.203 0.000 0.199 270 D C 2.463 178.762 176.300 -0.002 0.000 0.997 270 D CA 1.143 55.165 54.000 0.037 0.000 0.863 270 D CB -0.170 40.675 40.800 0.075 0.000 0.928 270 D HN 0.497 nan 8.370 nan 0.000 0.458 271 I N -0.145 120.435 120.570 0.016 0.000 2.193 271 I HA -0.237 4.054 4.170 0.203 0.000 0.240 271 I C 2.282 178.448 176.117 0.083 0.000 1.084 271 I CA 0.362 61.688 61.300 0.044 0.000 1.365 271 I CB -0.077 37.938 38.000 0.025 0.000 1.064 271 I HN -0.075 nan 8.210 nan 0.000 0.410 272 I N 0.715 121.327 120.570 0.070 0.000 2.163 272 I HA -0.307 3.985 4.170 0.203 0.000 0.243 272 I C 2.574 178.738 176.117 0.078 0.000 1.085 272 I CA 1.792 63.156 61.300 0.108 0.000 1.347 272 I CB -0.738 37.344 38.000 0.137 0.000 1.044 272 I HN 0.169 nan 8.210 nan 0.000 0.408 273 T N 0.420 114.913 114.554 -0.102 0.000 2.653 273 T HA -0.264 4.207 4.350 0.203 0.000 0.268 273 T C 1.942 176.661 174.700 0.031 0.000 1.035 273 T CA 1.696 63.728 62.100 -0.113 0.000 1.154 273 T CB -0.174 68.540 68.868 -0.257 0.000 0.862 273 T HN 0.342 nan 8.240 nan 0.000 0.441 274 K N 0.089 120.523 120.400 0.055 0.000 1.985 274 K HA -0.038 4.403 4.320 0.203 0.000 0.210 274 K C 2.000 178.676 176.600 0.126 0.000 1.047 274 K CA 1.448 57.781 56.287 0.077 0.000 0.932 274 K CB -0.526 32.016 32.500 0.070 0.000 0.716 274 K HN 0.327 nan 8.250 nan 0.000 0.439 275 F N 2.293 122.259 119.950 0.027 0.000 2.063 275 F HA -0.334 4.320 4.527 0.211 0.000 0.298 275 F C 1.918 177.742 175.800 0.040 0.000 1.105 275 F CA 1.522 59.547 58.000 0.041 0.000 1.215 275 F CB -0.325 38.707 39.000 0.054 0.000 0.972 275 F HN -0.061 nan 8.300 nan 0.000 0.483 276 L N 0.247 121.741 121.223 0.452 0.000 2.013 276 L HA -0.280 4.181 4.340 0.203 0.000 0.212 276 L C 2.618 179.547 176.870 0.098 0.000 1.073 276 L CA 1.630 56.651 54.840 0.301 0.000 0.753 276 L CB -0.863 41.332 42.059 0.226 0.000 0.890 276 L HN 0.188 nan 8.230 nan 0.000 0.432 277 E N 0.067 120.306 120.200 0.065 0.000 2.097 277 E HA -0.207 4.265 4.350 0.203 0.000 0.196 277 E C 0.980 177.572 176.600 -0.013 0.000 1.000 277 E CA 0.511 56.928 56.400 0.028 0.000 0.804 277 E CB -0.969 28.747 29.700 0.026 0.000 0.740 277 E HN 0.471 nan 8.360 nan 0.000 0.454 278 N N 1.970 120.630 118.700 -0.067 0.000 2.353 278 N HA -0.142 4.719 4.740 0.203 0.000 0.248 278 N C -0.311 175.141 175.510 -0.096 0.000 1.240 278 N CA 0.702 53.690 53.050 -0.104 0.000 0.862 278 N CB 0.616 38.989 38.487 -0.190 0.000 1.086 278 N HN -0.113 nan 8.380 nan 0.000 0.453 279 E N 2.693 122.857 120.200 -0.059 0.000 3.132 279 E HA 0.242 4.714 4.350 0.203 0.000 0.241 279 E C -1.261 175.323 176.600 -0.026 0.000 1.196 279 E CA -0.363 56.017 56.400 -0.034 0.000 0.869 279 E CB 0.238 29.934 29.700 -0.007 0.000 1.387 279 E HN 0.610 nan 8.360 nan 0.000 0.393 280 D N 0.572 120.951 120.400 -0.035 0.000 2.568 280 D HA 0.605 5.366 4.640 0.203 0.000 0.219 280 D C -0.601 175.700 176.300 0.001 0.000 1.239 280 D CA -0.385 53.606 54.000 -0.015 0.000 1.096 280 D CB 0.928 41.719 40.800 -0.016 0.000 1.198 280 D HN 0.028 nan 8.370 nan 0.000 0.620 281 R N -1.074 119.438 120.500 0.019 0.000 5.680 281 R HA 0.261 4.723 4.340 0.203 0.000 0.244 281 R C -1.707 174.620 176.300 0.046 0.000 0.922 281 R CA -0.609 55.517 56.100 0.044 0.000 1.444 281 R CB 0.677 30.991 30.300 0.023 0.000 1.198 281 R HN 0.564 nan 8.270 nan 0.000 0.733 282 R N -0.083 120.464 120.500 0.079 0.000 2.799 282 R HA 0.645 5.107 4.340 0.203 0.000 0.270 282 R C -0.876 175.466 176.300 0.069 0.000 1.010 282 R CA -0.806 55.337 56.100 0.070 0.000 0.916 282 R CB 1.570 31.931 30.300 0.102 0.000 1.228 282 R HN 0.555 nan 8.270 nan 0.000 0.469 283 S N 0.705 116.428 115.700 0.038 0.000 2.568 283 S HA 0.582 5.173 4.470 0.203 0.000 0.282 283 S C -0.017 174.624 174.600 0.068 0.000 1.338 283 S CA 0.021 58.232 58.200 0.018 0.000 1.045 283 S CB 1.082 64.282 63.200 -0.000 0.000 0.873 283 S HN 0.973 nan 8.310 nan 0.000 0.516 284 A N 2.072 124.946 122.820 0.089 0.000 2.594 284 A HA 0.648 5.090 4.320 0.203 0.000 0.296 284 A C -0.556 177.087 177.584 0.099 0.000 1.061 284 A CA -0.867 51.225 52.037 0.092 0.000 0.689 284 A CB 1.210 20.303 19.000 0.156 0.000 1.280 284 A HN 0.823 nan 8.150 nan 0.000 0.406 285 S N 1.224 116.936 115.700 0.021 0.000 2.488 285 S HA 0.456 5.048 4.470 0.203 0.000 0.310 285 S C -0.418 174.216 174.600 0.056 0.000 1.093 285 S CA -0.260 57.964 58.200 0.040 0.000 1.129 285 S CB 0.161 63.384 63.200 0.038 0.000 0.989 285 S HN 0.674 nan 8.310 nan 0.000 0.479 286 L N 3.514 124.774 121.223 0.061 0.000 2.350 286 L HA 0.429 4.891 4.340 0.203 0.000 0.275 286 L C -0.353 176.544 176.870 0.044 0.000 1.099 286 L CA 0.116 54.963 54.840 0.011 0.000 0.808 286 L CB 0.490 42.471 42.059 -0.132 0.000 1.149 286 L HN 0.592 nan 8.230 nan 0.000 0.442 287 H N 4.181 123.239 119.070 -0.021 0.000 2.429 287 H HA 0.352 5.029 4.556 0.202 0.000 0.237 287 H C -0.988 174.337 175.328 -0.005 0.000 1.378 287 H CA -0.564 55.485 56.048 0.002 0.000 1.170 287 H CB 0.497 30.248 29.762 -0.019 0.000 1.671 287 H HN 0.358 nan 8.280 nan 0.000 0.541 288 L N 3.599 124.790 121.223 -0.053 0.000 2.360 288 L HA 0.340 4.801 4.340 0.203 0.000 0.276 288 L C -2.392 174.329 176.870 -0.248 0.000 1.121 288 L CA -2.194 52.441 54.840 -0.342 0.000 0.845 288 L CB 0.521 42.160 42.059 -0.700 0.000 1.143 288 L HN 0.170 nan 8.230 nan 0.000 0.452 289 P HA 0.074 nan 4.420 nan 0.000 0.275 289 P C -1.343 175.885 177.300 -0.120 0.000 1.227 289 P CA -0.539 62.520 63.100 -0.068 0.000 0.781 289 P CB 0.693 32.421 31.700 0.047 0.000 0.906 290 K N 4.598 124.937 120.400 -0.102 0.000 2.310 290 K HA 0.341 4.783 4.320 0.203 0.000 0.290 290 K C -0.111 176.439 176.600 -0.083 0.000 1.077 290 K CA -0.439 55.789 56.287 -0.099 0.000 0.922 290 K CB -0.264 32.188 32.500 -0.081 0.000 1.057 290 K HN 0.511 nan 8.250 nan 0.000 0.479 291 L N 0.182 121.356 121.223 -0.082 0.000 2.415 291 L HA 0.654 5.116 4.340 0.203 0.000 0.256 291 L C -1.293 175.514 176.870 -0.106 0.000 1.010 291 L CA -0.832 53.953 54.840 -0.092 0.000 0.826 291 L CB 2.136 44.138 42.059 -0.095 0.000 1.405 291 L HN 0.509 nan 8.230 nan 0.000 0.410 292 S N 2.672 118.309 115.700 -0.106 0.000 2.733 292 S HA 0.751 5.343 4.470 0.203 0.000 0.294 292 S C -0.784 173.751 174.600 -0.109 0.000 1.149 292 S CA -0.601 57.530 58.200 -0.115 0.000 1.034 292 S CB 0.862 64.014 63.200 -0.080 0.000 1.015 292 S HN 0.818 nan 8.310 nan 0.000 0.486 293 I N 1.947 122.421 120.570 -0.160 0.000 3.074 293 I HA 0.909 5.201 4.170 0.203 0.000 0.310 293 I C -0.501 175.559 176.117 -0.096 0.000 1.153 293 I CA -0.747 60.488 61.300 -0.109 0.000 0.993 293 I CB 2.142 40.088 38.000 -0.089 0.000 1.237 293 I HN 0.620 nan 8.210 nan 0.000 0.443 294 T N 0.080 114.652 114.554 0.029 0.000 2.804 294 T HA 0.886 5.357 4.350 0.203 0.000 0.290 294 T C -0.476 174.327 174.700 0.173 0.000 1.099 294 T CA -0.530 61.649 62.100 0.131 0.000 1.011 294 T CB 1.631 70.549 68.868 0.082 0.000 1.291 294 T HN 1.366 nan 8.240 nan 0.000 0.523 295 G N 0.588 109.480 108.800 0.153 0.000 2.659 295 G HA2 0.530 4.611 3.960 0.203 0.000 0.291 295 G HA3 0.530 4.611 3.960 0.203 0.000 0.291 295 G C -1.035 173.724 174.900 -0.235 0.000 1.379 295 G CA -0.590 44.478 45.100 -0.052 0.000 1.254 295 G HN 0.809 nan 8.290 nan 0.000 0.590 296 T N 1.591 115.867 114.554 -0.464 0.000 2.859 296 T HA 0.731 5.203 4.350 0.203 0.000 0.281 296 T C -1.136 173.258 174.700 -0.510 0.000 1.005 296 T CA -0.092 61.835 62.100 -0.288 0.000 1.025 296 T CB 1.018 69.801 68.868 -0.141 0.000 0.977 296 T HN 0.401 nan 8.240 nan 0.000 0.458 297 Y N 0.343 120.681 120.300 0.063 0.000 2.571 297 Y HA 0.432 5.101 4.550 0.198 0.000 0.341 297 Y C -0.487 175.454 175.900 0.069 0.000 1.076 297 Y CA -1.434 56.694 58.100 0.048 0.000 1.029 297 Y CB 1.676 40.156 38.460 0.033 0.000 1.308 297 Y HN 0.561 nan 8.280 nan 0.000 0.461 298 D N 1.643 122.159 120.400 0.193 0.000 2.472 298 D HA 0.361 5.123 4.640 0.203 0.000 0.234 298 D C 0.401 176.743 176.300 0.069 0.000 1.088 298 D CA -0.139 53.931 54.000 0.117 0.000 0.882 298 D CB 0.615 41.450 40.800 0.059 0.000 1.037 298 D HN 0.575 nan 8.370 nan 0.000 0.520 299 L N 3.128 124.415 121.223 0.108 0.000 2.013 299 L HA -0.193 4.269 4.340 0.203 0.000 0.212 299 L C 2.503 179.310 176.870 -0.104 0.000 1.073 299 L CA 1.052 55.920 54.840 0.047 0.000 0.753 299 L CB -0.534 41.646 42.059 0.202 0.000 0.890 299 L HN 0.470 nan 8.230 nan 0.000 0.432 300 K N 0.447 120.724 120.400 -0.205 0.000 2.066 300 K HA -0.305 4.137 4.320 0.203 0.000 0.221 300 K C 2.189 178.455 176.600 -0.557 0.000 1.056 300 K CA 2.628 58.428 56.287 -0.811 0.000 0.950 300 K CB -0.174 31.927 32.500 -0.665 0.000 0.726 300 K HN 0.326 nan 8.250 nan 0.000 0.456 301 S N 0.338 115.857 115.700 -0.302 0.000 2.365 301 S HA -0.192 4.400 4.470 0.203 0.000 0.221 301 S C 2.117 176.602 174.600 -0.192 0.000 1.037 301 S CA 1.824 59.899 58.200 -0.207 0.000 1.060 301 S CB -0.785 62.341 63.200 -0.123 0.000 0.974 301 S HN 0.207 nan 8.310 nan 0.000 0.427 302 V N 2.701 122.511 119.914 -0.174 0.000 2.220 302 V HA -0.209 4.033 4.120 0.203 0.000 0.246 302 V C 2.392 178.371 176.094 -0.190 0.000 1.049 302 V CA 1.984 64.173 62.300 -0.185 0.000 1.003 302 V CB -1.073 30.618 31.823 -0.219 0.000 0.634 302 V HN 0.392 nan 8.190 nan 0.000 0.444 303 L N 0.511 121.616 121.223 -0.197 0.000 2.081 303 L HA -0.150 4.311 4.340 0.203 0.000 0.212 303 L C 2.666 179.455 176.870 -0.135 0.000 1.080 303 L CA 1.697 56.437 54.840 -0.167 0.000 0.754 303 L CB -1.315 40.620 42.059 -0.206 0.000 0.893 303 L HN 0.515 nan 8.230 nan 0.000 0.433 304 G N -0.825 107.860 108.800 -0.190 0.000 2.476 304 G HA2 -0.296 3.785 3.960 0.203 0.000 0.218 304 G HA3 -0.296 3.785 3.960 0.203 0.000 0.218 304 G C 1.532 176.369 174.900 -0.104 0.000 1.164 304 G CA 0.460 45.466 45.100 -0.156 0.000 0.768 304 G HN 0.282 nan 8.290 nan 0.000 0.560 305 Q N 0.020 119.749 119.800 -0.119 0.000 2.124 305 Q HA 0.064 4.526 4.340 0.203 0.000 0.202 305 Q C 2.560 178.507 176.000 -0.088 0.000 0.977 305 Q CA 0.658 56.400 55.803 -0.102 0.000 0.850 305 Q CB -0.328 28.337 28.738 -0.120 0.000 0.901 305 Q HN 0.540 nan 8.270 nan 0.000 0.429 306 L N -0.659 120.510 121.223 -0.090 0.000 2.675 306 L HA 0.069 4.530 4.340 0.203 0.000 0.239 306 L C 1.271 178.123 176.870 -0.031 0.000 1.151 306 L CA 0.564 55.368 54.840 -0.060 0.000 0.905 306 L CB -0.408 41.624 42.059 -0.046 0.000 1.057 306 L HN 0.351 nan 8.230 nan 0.000 0.435 307 G N 0.398 109.180 108.800 -0.030 0.000 2.279 307 G HA2 -0.267 3.815 3.960 0.203 0.000 0.223 307 G HA3 -0.267 3.815 3.960 0.203 0.000 0.223 307 G C 0.296 175.203 174.900 0.011 0.000 1.015 307 G CA -0.413 44.682 45.100 -0.010 0.000 0.621 307 G HN 0.235 nan 8.290 nan 0.000 0.506 308 I N 2.930 123.508 120.570 0.013 0.000 2.389 308 I HA 0.338 4.629 4.170 0.203 0.000 0.295 308 I C 1.332 177.557 176.117 0.179 0.000 1.117 308 I CA 0.831 62.171 61.300 0.067 0.000 1.317 308 I CB 0.959 38.965 38.000 0.010 0.000 1.431 308 I HN 0.148 nan 8.210 nan 0.000 0.521 309 T N 3.114 117.768 114.554 0.167 0.000 3.176 309 T HA 0.043 4.515 4.350 0.203 0.000 0.259 309 T C 1.720 176.553 174.700 0.221 0.000 0.978 309 T CA -0.059 62.170 62.100 0.215 0.000 1.050 309 T CB 0.173 69.099 68.868 0.097 0.000 1.136 309 T HN 0.367 nan 8.240 nan 0.000 0.465 310 K N 1.290 121.764 120.400 0.123 0.000 2.077 310 K HA -0.102 4.339 4.320 0.203 0.000 0.213 310 K C 2.027 178.665 176.600 0.064 0.000 1.051 310 K CA 1.296 57.633 56.287 0.084 0.000 0.929 310 K CB -0.693 31.840 32.500 0.054 0.000 0.715 310 K HN 0.039 nan 8.250 nan 0.000 0.451 311 V N 0.329 120.247 119.914 0.007 0.000 2.828 311 V HA -0.207 4.034 4.120 0.203 0.000 0.260 311 V C 1.154 177.130 176.094 -0.198 0.000 1.101 311 V CA 1.631 63.850 62.300 -0.134 0.000 1.123 311 V CB -0.327 31.337 31.823 -0.266 0.000 0.704 311 V HN 0.237 nan 8.190 nan 0.000 0.493 312 F N -0.535 119.444 119.950 0.050 0.000 2.717 312 F HA 0.209 4.859 4.527 0.204 0.000 0.295 312 F C 1.902 177.715 175.800 0.022 0.000 1.117 312 F CA 0.524 58.544 58.000 0.032 0.000 1.361 312 F CB -0.331 38.687 39.000 0.029 0.000 1.112 312 F HN 0.215 nan 8.300 nan 0.000 0.594 313 S N 0.260 116.082 115.700 0.204 0.000 2.502 313 S HA 0.077 4.669 4.470 0.203 0.000 0.251 313 S C 1.263 175.911 174.600 0.079 0.000 1.254 313 S CA -0.194 58.077 58.200 0.118 0.000 0.989 313 S CB 0.103 63.356 63.200 0.089 0.000 1.015 313 S HN 0.167 nan 8.310 nan 0.000 0.529 314 N N 0.359 119.091 118.700 0.053 0.000 2.387 314 N HA 0.109 4.970 4.740 0.203 0.000 0.176 314 N C 1.908 177.434 175.510 0.027 0.000 1.022 314 N CA 0.992 54.064 53.050 0.037 0.000 0.883 314 N CB -1.029 37.475 38.487 0.028 0.000 1.019 314 N HN 0.765 nan 8.380 nan 0.000 0.435 315 G N 1.347 110.163 108.800 0.026 0.000 2.422 315 G HA2 -0.064 4.018 3.960 0.203 0.000 0.218 315 G HA3 -0.064 4.018 3.960 0.203 0.000 0.218 315 G C 0.507 175.415 174.900 0.013 0.000 1.146 315 G CA 0.664 45.775 45.100 0.017 0.000 0.769 315 G HN 0.443 nan 8.290 nan 0.000 0.547 316 A N 0.784 123.616 122.820 0.020 0.000 1.855 316 A HA -0.146 4.295 4.320 0.203 0.000 0.341 316 A C 0.430 178.011 177.584 -0.005 0.000 0.728 316 A CA 1.062 53.105 52.037 0.010 0.000 1.537 316 A CB -0.423 18.586 19.000 0.014 0.000 0.612 316 A HN 0.357 nan 8.150 nan 0.000 0.202 317 D N 3.236 123.632 120.400 -0.007 0.000 2.522 317 D HA 0.330 5.092 4.640 0.203 0.000 0.218 317 D C 0.432 176.707 176.300 -0.041 0.000 1.149 317 D CA -0.109 53.879 54.000 -0.020 0.000 0.981 317 D CB -0.003 40.792 40.800 -0.009 0.000 1.041 317 D HN 0.568 nan 8.370 nan 0.000 0.518 318 L N 2.222 123.405 121.223 -0.066 0.000 2.783 318 L HA 0.007 4.469 4.340 0.203 0.000 0.236 318 L C 2.160 178.930 176.870 -0.166 0.000 1.225 318 L CA -0.159 54.607 54.840 -0.123 0.000 1.026 318 L CB 0.008 41.991 42.059 -0.127 0.000 1.314 318 L HN 0.201 nan 8.230 nan 0.000 0.489 319 S N -0.455 115.175 115.700 -0.117 0.000 2.407 319 S HA -0.212 4.380 4.470 0.203 0.000 0.235 319 S C 2.021 176.529 174.600 -0.154 0.000 1.036 319 S CA 1.320 59.452 58.200 -0.114 0.000 1.013 319 S CB -0.768 62.387 63.200 -0.076 0.000 0.820 319 S HN 0.540 nan 8.310 nan 0.000 0.476 320 G N 0.272 108.963 108.800 -0.181 0.000 2.625 320 G HA2 0.093 4.174 3.960 0.203 0.000 0.214 320 G HA3 0.093 4.174 3.960 0.203 0.000 0.214 320 G C 1.109 175.758 174.900 -0.419 0.000 1.132 320 G CA 0.789 45.756 45.100 -0.222 0.000 0.782 320 G HN 0.526 nan 8.290 nan 0.000 0.538 321 V N -1.279 118.337 119.914 -0.496 0.000 3.212 321 V HA 0.289 4.530 4.120 0.203 0.000 0.244 321 V C 0.903 176.799 176.094 -0.330 0.000 1.151 321 V CA 1.307 63.206 62.300 -0.669 0.000 1.119 321 V CB 0.985 32.339 31.823 -0.781 0.000 0.838 321 V HN 0.291 nan 8.190 nan 0.000 0.470 322 T N -1.107 113.304 114.554 -0.237 0.000 2.885 322 T HA 0.331 4.802 4.350 0.203 0.000 0.322 322 T C -0.406 174.227 174.700 -0.112 0.000 1.387 322 T CA -0.301 61.712 62.100 -0.146 0.000 1.041 322 T CB 2.394 71.178 68.868 -0.139 0.000 1.287 322 T HN 0.258 nan 8.240 nan 0.000 0.491 323 E N 1.009 121.163 120.200 -0.076 0.000 2.601 323 E HA 0.141 4.613 4.350 0.203 0.000 0.219 323 E C 0.886 177.460 176.600 -0.043 0.000 0.964 323 E CA -0.146 56.219 56.400 -0.059 0.000 1.050 323 E CB 0.440 30.111 29.700 -0.049 0.000 1.068 323 E HN 0.568 nan 8.360 nan 0.000 0.496 324 E N 0.851 121.027 120.200 -0.040 0.000 2.004 324 E HA 0.037 4.508 4.350 0.203 0.000 0.194 324 E C 0.826 177.412 176.600 -0.024 0.000 0.981 324 E CA 0.815 57.199 56.400 -0.026 0.000 0.842 324 E CB -0.371 29.317 29.700 -0.020 0.000 0.796 324 E HN 0.188 nan 8.360 nan 0.000 0.477 325 A N 1.591 124.396 122.820 -0.025 0.000 2.263 325 A HA 0.558 4.999 4.320 0.203 0.000 0.318 325 A C -2.233 175.335 177.584 -0.027 0.000 1.111 325 A CA -1.192 50.834 52.037 -0.019 0.000 0.901 325 A CB -0.278 18.717 19.000 -0.008 0.000 1.280 325 A HN 0.005 nan 8.150 nan 0.000 0.503 326 P HA 0.571 nan 4.420 nan 0.000 0.274 326 P C -1.190 176.097 177.300 -0.022 0.000 1.256 326 P CA -0.171 62.917 63.100 -0.019 0.000 0.795 326 P CB 0.513 32.209 31.700 -0.007 0.000 1.038 327 L N 0.258 121.468 121.223 -0.021 0.000 2.582 327 L HA 0.658 5.119 4.340 0.203 0.000 0.257 327 L C -1.784 175.102 176.870 0.026 0.000 0.974 327 L CA -0.497 54.335 54.840 -0.013 0.000 0.851 327 L CB 1.885 43.901 42.059 -0.073 0.000 1.424 327 L HN 0.589 nan 8.230 nan 0.000 0.412 328 K N 2.733 123.184 120.400 0.086 0.000 2.572 328 K HA 0.513 4.954 4.320 0.203 0.000 0.263 328 K C -1.745 174.947 176.600 0.152 0.000 0.932 328 K CA -0.933 55.414 56.287 0.101 0.000 0.838 328 K CB 1.487 34.026 32.500 0.065 0.000 1.366 328 K HN 0.454 nan 8.250 nan 0.000 0.425 329 L N 2.943 124.182 121.223 0.025 0.000 2.500 329 L HA 0.130 4.591 4.340 0.203 0.000 0.272 329 L C 0.446 177.334 176.870 0.029 0.000 1.149 329 L CA 0.892 55.605 54.840 -0.211 0.000 0.897 329 L CB 0.565 42.251 42.059 -0.621 0.000 1.178 329 L HN 0.866 nan 8.230 nan 0.000 0.473 330 S N 3.172 118.881 115.700 0.016 0.000 2.427 330 S HA 0.128 4.719 4.470 0.203 0.000 0.224 330 S C 0.453 175.122 174.600 0.114 0.000 1.047 330 S CA 0.297 58.542 58.200 0.074 0.000 0.953 330 S CB 0.101 63.285 63.200 -0.026 0.000 0.824 330 S HN 0.581 nan 8.310 nan 0.000 0.502 331 K N 0.596 121.038 120.400 0.070 0.000 2.468 331 K HA 0.663 5.105 4.320 0.203 0.000 0.252 331 K C -2.042 174.630 176.600 0.120 0.000 0.932 331 K CA -0.530 55.822 56.287 0.108 0.000 0.794 331 K CB 1.916 34.466 32.500 0.084 0.000 1.241 331 K HN 0.153 nan 8.250 nan 0.000 0.428 332 A N 3.471 126.411 122.820 0.199 0.000 2.411 332 A HA 0.563 5.005 4.320 0.203 0.000 0.285 332 A C -1.432 176.286 177.584 0.224 0.000 1.129 332 A CA -0.610 51.556 52.037 0.215 0.000 0.736 332 A CB 1.186 20.427 19.000 0.402 0.000 1.186 332 A HN 0.401 nan 8.150 nan 0.000 0.445 333 V N 2.154 122.200 119.914 0.221 0.000 2.769 333 V HA 0.600 4.842 4.120 0.203 0.000 0.312 333 V C -0.653 175.634 176.094 0.321 0.000 1.058 333 V CA -0.487 61.959 62.300 0.244 0.000 0.952 333 V CB 2.026 33.972 31.823 0.206 0.000 1.019 333 V HN 0.992 nan 8.190 nan 0.000 0.445 334 H N 2.969 122.165 119.070 0.210 0.000 2.934 334 H HA 0.635 5.310 4.556 0.198 0.000 0.340 334 H C -0.935 174.535 175.328 0.238 0.000 1.008 334 H CA -0.775 55.406 56.048 0.223 0.000 1.317 334 H CB 1.374 31.276 29.762 0.232 0.000 1.670 334 H HN 0.530 nan 8.280 nan 0.000 0.516 335 K N 3.843 124.147 120.400 -0.159 0.000 2.376 335 K HA 0.828 5.269 4.320 0.203 0.000 0.257 335 K C -1.693 174.736 176.600 -0.284 0.000 0.939 335 K CA -0.430 55.755 56.287 -0.171 0.000 0.809 335 K CB 1.358 33.858 32.500 0.002 0.000 1.121 335 K HN 0.654 nan 8.250 nan 0.000 0.425 336 A N 2.996 125.718 122.820 -0.163 0.000 2.414 336 A HA 0.776 5.218 4.320 0.203 0.000 0.306 336 A C -1.401 176.341 177.584 0.264 0.000 1.054 336 A CA -0.718 51.346 52.037 0.045 0.000 0.724 336 A CB 1.518 20.586 19.000 0.114 0.000 1.267 336 A HN 0.425 nan 8.150 nan 0.000 0.418 337 V N 1.816 121.893 119.914 0.272 0.000 2.709 337 V HA 0.704 4.946 4.120 0.203 0.000 0.308 337 V C -0.846 175.355 176.094 0.179 0.000 1.062 337 V CA -0.527 61.912 62.300 0.233 0.000 0.901 337 V CB 1.400 33.394 31.823 0.286 0.000 1.003 337 V HN 0.989 nan 8.190 nan 0.000 0.425 338 L N 3.319 124.452 121.223 -0.150 0.000 2.388 338 L HA 0.970 5.432 4.340 0.203 0.000 0.264 338 L C -0.436 176.297 176.870 -0.228 0.000 0.998 338 L CA 0.316 54.979 54.840 -0.295 0.000 0.817 338 L CB 2.753 44.268 42.059 -0.905 0.000 1.338 338 L HN 0.751 nan 8.230 nan 0.000 0.414 339 T N 5.404 119.841 114.554 -0.195 0.000 2.928 339 T HA 0.624 5.095 4.350 0.203 0.000 0.296 339 T C -1.007 173.588 174.700 -0.174 0.000 1.000 339 T CA -0.262 61.736 62.100 -0.169 0.000 0.989 339 T CB 1.163 69.947 68.868 -0.140 0.000 1.005 339 T HN 0.355 nan 8.240 nan 0.000 0.442 340 I N 4.511 125.012 120.570 -0.114 0.000 2.406 340 I HA 0.554 4.846 4.170 0.203 0.000 0.290 340 I C -0.243 175.857 176.117 -0.029 0.000 0.999 340 I CA -0.743 60.536 61.300 -0.035 0.000 1.124 340 I CB 1.624 39.649 38.000 0.042 0.000 1.289 340 I HN 0.814 nan 8.210 nan 0.000 0.441 341 D N 3.743 124.151 120.400 0.013 0.000 3.009 341 D HA 0.295 5.056 4.640 0.203 0.000 0.318 341 D C 0.069 176.423 176.300 0.090 0.000 1.273 341 D CA -0.367 53.635 54.000 0.002 0.000 1.001 341 D CB 0.674 41.458 40.800 -0.027 0.000 1.411 341 D HN 0.235 nan 8.370 nan 0.000 0.577 342 E N -0.615 119.625 120.200 0.067 0.000 2.447 342 E HA 0.159 4.631 4.350 0.203 0.000 0.195 342 E C -0.218 176.548 176.600 0.276 0.000 1.028 342 E CA 0.007 56.502 56.400 0.158 0.000 0.876 342 E CB -0.035 29.746 29.700 0.134 0.000 0.885 342 E HN 0.206 nan 8.360 nan 0.000 0.500 343 K N 0.943 121.442 120.400 0.165 0.000 2.550 343 K HA 0.249 4.691 4.320 0.203 0.000 0.280 343 K C 0.270 176.990 176.600 0.200 0.000 0.987 343 K CA 0.698 57.060 56.287 0.125 0.000 1.048 343 K CB 0.365 32.875 32.500 0.018 0.000 0.879 343 K HN 0.148 nan 8.250 nan 0.000 0.491 344 G N 0.686 109.591 108.800 0.175 0.000 2.632 344 G HA2 0.252 4.334 3.960 0.203 0.000 0.292 344 G HA3 0.252 4.334 3.960 0.203 0.000 0.292 344 G C -0.869 174.109 174.900 0.130 0.000 1.465 344 G CA -0.890 44.329 45.100 0.200 0.000 0.824 344 G HN 0.577 nan 8.290 nan 0.000 0.509 345 T N -1.841 112.787 114.554 0.123 0.000 2.588 345 T HA 0.357 4.829 4.350 0.203 0.000 0.236 345 T C 0.513 175.254 174.700 0.069 0.000 1.027 345 T CA 0.950 63.102 62.100 0.088 0.000 1.167 345 T CB -0.249 68.672 68.868 0.089 0.000 1.014 345 T HN 1.613 nan 8.240 nan 0.000 0.476 346 E N 2.056 122.287 120.200 0.052 0.000 2.417 346 E HA 0.524 4.996 4.350 0.203 0.000 0.261 346 E C 0.599 177.220 176.600 0.036 0.000 1.000 346 E CA -0.021 56.404 56.400 0.041 0.000 0.919 346 E CB -0.127 29.591 29.700 0.031 0.000 0.955 346 E HN 1.968 nan 8.360 nan 0.000 0.455 347 A N 0.426 123.265 122.820 0.031 0.000 3.416 347 A HA 0.783 5.225 4.320 0.203 0.000 0.251 347 A C -0.430 177.164 177.584 0.016 0.000 0.996 347 A CA 0.212 52.262 52.037 0.023 0.000 0.543 347 A CB -0.575 18.441 19.000 0.026 0.000 1.711 347 A HN 2.206 nan 8.150 nan 0.000 0.848 358 M N -0.036 119.560 119.600 -0.006 0.000 3.340 358 M HA 0.557 5.158 4.480 0.203 0.000 0.471 358 M C -1.011 175.286 176.300 -0.004 0.000 1.550 358 M CA 0.221 55.517 55.300 -0.006 0.000 0.754 358 M CB 0.861 33.456 32.600 -0.008 0.000 1.485 358 M HN -0.089 nan 8.290 nan 0.000 0.530 359 S N 1.010 116.710 115.700 -0.001 0.000 4.420 359 S HA 0.059 4.651 4.470 0.203 0.000 0.128 359 S C -0.639 173.965 174.600 0.006 0.000 0.793 359 S CA -0.666 57.536 58.200 0.004 0.000 0.941 359 S CB -0.499 62.704 63.200 0.005 0.000 0.526 359 S HN 0.383 nan 8.310 nan 0.000 0.825 360 I N 5.085 125.659 120.570 0.007 0.000 3.136 360 I HA 0.006 4.297 4.170 0.203 0.000 0.298 360 I C -1.103 175.022 176.117 0.015 0.000 1.232 360 I CA -0.092 61.213 61.300 0.008 0.000 1.379 360 I CB -0.546 37.460 38.000 0.010 0.000 1.411 360 I HN 0.399 nan 8.210 nan 0.000 0.532 361 P HA 0.258 nan 4.420 nan 0.000 0.279 361 P C -2.453 174.851 177.300 0.007 0.000 1.239 361 P CA -1.401 61.708 63.100 0.015 0.000 0.789 361 P CB 0.241 31.945 31.700 0.006 0.000 0.933 362 P HA 0.034 nan 4.420 nan 0.000 0.264 362 P C -0.222 177.006 177.300 -0.120 0.000 1.183 362 P CA 0.402 63.485 63.100 -0.029 0.000 0.763 362 P CB 0.761 32.460 31.700 -0.001 0.000 0.807 363 E N 1.930 122.054 120.200 -0.127 0.000 2.227 363 E HA 0.351 4.823 4.350 0.203 0.000 0.282 363 E C -1.071 175.344 176.600 -0.309 0.000 1.015 363 E CA -0.745 55.565 56.400 -0.149 0.000 0.823 363 E CB 0.777 30.414 29.700 -0.105 0.000 1.081 363 E HN 0.137 nan 8.360 nan 0.000 0.396 364 V N 5.881 125.594 119.914 -0.335 0.000 2.380 364 V HA 0.218 4.460 4.120 0.203 0.000 0.272 364 V C -0.969 174.892 176.094 -0.389 0.000 1.011 364 V CA -0.733 61.242 62.300 -0.541 0.000 0.826 364 V CB 1.106 32.487 31.823 -0.738 0.000 1.040 364 V HN 0.633 nan 8.190 nan 0.000 0.441 365 K N 4.325 124.481 120.400 -0.406 0.000 2.253 365 K HA 0.506 4.947 4.320 0.203 0.000 0.277 365 K C -0.625 175.781 176.600 -0.323 0.000 1.053 365 K CA -0.295 55.806 56.287 -0.310 0.000 0.892 365 K CB 1.083 33.306 32.500 -0.462 0.000 1.102 365 K HN 0.406 nan 8.250 nan 0.000 0.469 366 F N 3.235 123.079 119.950 -0.176 0.000 2.640 366 F HA 0.086 4.729 4.527 0.193 0.000 0.354 366 F C 0.355 176.156 175.800 0.002 0.000 1.213 366 F CA -0.739 57.156 58.000 -0.174 0.000 1.314 366 F CB -0.465 38.236 39.000 -0.497 0.000 1.679 366 F HN 0.504 nan 8.300 nan 0.000 0.622 367 N N 1.427 120.103 118.700 -0.041 0.000 2.546 367 N HA 0.192 5.054 4.740 0.203 0.000 0.286 367 N C -0.766 174.247 175.510 -0.827 0.000 1.259 367 N CA -0.572 52.331 53.050 -0.245 0.000 0.939 367 N CB 0.185 38.493 38.487 -0.299 0.000 1.243 367 N HN 0.501 nan 8.380 nan 0.000 0.511 368 K N -3.005 116.897 120.400 -0.830 0.000 2.660 368 K HA 0.408 4.849 4.320 0.203 0.000 0.285 368 K C -3.471 173.149 176.600 0.033 0.000 0.997 368 K CA -1.687 54.188 56.287 -0.688 0.000 0.861 368 K CB 0.485 32.870 32.500 -0.192 0.000 1.469 368 K HN -0.253 nan 8.250 nan 0.000 0.395 369 P HA -0.085 nan 4.420 nan 0.000 0.263 369 P C -1.156 176.435 177.300 0.486 0.000 1.162 369 P CA 0.564 63.898 63.100 0.390 0.000 0.758 369 P CB -0.110 31.739 31.700 0.248 0.000 0.773 370 F N 0.838 121.056 119.950 0.446 0.000 2.654 370 F HA 0.684 5.341 4.527 0.218 0.000 0.308 370 F C -1.621 174.476 175.800 0.495 0.000 1.108 370 F CA -1.440 56.851 58.000 0.485 0.000 0.957 370 F CB 0.757 40.164 39.000 0.678 0.000 1.309 370 F HN -0.012 nan 8.300 nan 0.000 0.446 371 V N 2.803 123.046 119.914 0.549 0.000 2.630 371 V HA 0.721 4.963 4.120 0.203 0.000 0.305 371 V C -0.562 175.937 176.094 0.674 0.000 1.046 371 V CA -0.749 61.760 62.300 0.348 0.000 0.934 371 V CB 1.464 33.327 31.823 0.067 0.000 1.003 371 V HN 0.862 nan 8.190 nan 0.000 0.451 372 F N 2.703 122.862 119.950 0.348 0.000 2.626 372 F HA 0.915 5.576 4.527 0.224 0.000 0.311 372 F C -1.356 174.538 175.800 0.157 0.000 1.088 372 F CA -1.303 56.840 58.000 0.238 0.000 0.949 372 F CB 1.935 40.955 39.000 0.032 0.000 1.322 372 F HN 0.507 nan 8.300 nan 0.000 0.461 373 L N 2.804 124.187 121.223 0.266 0.000 2.526 373 L HA 0.656 5.118 4.340 0.203 0.000 0.263 373 L C -1.862 175.129 176.870 0.202 0.000 0.943 373 L CA -0.761 54.185 54.840 0.176 0.000 0.859 373 L CB 2.107 44.270 42.059 0.173 0.000 1.313 373 L HN 0.882 nan 8.230 nan 0.000 0.406 374 M N 5.148 124.894 119.600 0.243 0.000 2.209 374 M HA 0.509 5.111 4.480 0.203 0.000 0.355 374 M C -0.617 175.752 176.300 0.115 0.000 1.171 374 M CA -0.026 55.424 55.300 0.250 0.000 1.069 374 M CB 1.455 34.287 32.600 0.387 0.000 1.622 374 M HN 0.331 nan 8.290 nan 0.000 0.459 375 I N 1.727 122.374 120.570 0.128 0.000 2.750 375 I HA 0.356 4.648 4.170 0.203 0.000 0.308 375 I C -0.023 176.136 176.117 0.070 0.000 1.016 375 I CA -0.583 60.763 61.300 0.076 0.000 1.098 375 I CB 1.938 40.002 38.000 0.105 0.000 1.279 375 I HN 0.550 nan 8.210 nan 0.000 0.454 376 E N 3.883 124.102 120.200 0.032 0.000 2.014 376 E HA 0.073 4.545 4.350 0.203 0.000 0.275 376 E C 0.644 177.284 176.600 0.068 0.000 0.997 376 E CA -0.482 55.939 56.400 0.034 0.000 0.804 376 E CB 1.049 30.746 29.700 -0.005 0.000 1.090 376 E HN 0.485 nan 8.360 nan 0.000 0.401 377 Q N 4.225 124.085 119.800 0.100 0.000 2.146 377 Q HA -0.301 4.161 4.340 0.203 0.000 0.217 377 Q C 0.991 177.042 176.000 0.085 0.000 1.023 377 Q CA 2.678 58.547 55.803 0.109 0.000 0.903 377 Q CB 0.019 28.831 28.738 0.124 0.000 0.990 377 Q HN 0.546 nan 8.270 nan 0.000 0.413 378 N N -1.304 117.437 118.700 0.069 0.000 2.083 378 N HA -0.091 4.770 4.740 0.203 0.000 0.190 378 N C 1.810 177.350 175.510 0.049 0.000 1.047 378 N CA 2.268 55.352 53.050 0.056 0.000 0.845 378 N CB -1.035 37.479 38.487 0.046 0.000 1.025 378 N HN 0.611 nan 8.380 nan 0.000 0.428 379 T N -1.776 112.802 114.554 0.039 0.000 3.055 379 T HA 0.115 4.587 4.350 0.203 0.000 0.265 379 T C 0.723 175.449 174.700 0.043 0.000 1.111 379 T CA 0.754 62.873 62.100 0.030 0.000 1.118 379 T CB 0.141 69.016 68.868 0.012 0.000 0.909 379 T HN 0.008 nan 8.240 nan 0.000 0.501 380 K N 0.334 120.768 120.400 0.056 0.000 3.547 380 K HA -0.131 4.310 4.320 0.203 0.000 0.309 380 K C 0.289 176.927 176.600 0.062 0.000 1.324 380 K CA 0.828 57.161 56.287 0.078 0.000 0.988 380 K CB -2.381 30.184 32.500 0.110 0.000 1.261 380 K HN 0.573 nan 8.250 nan 0.000 0.444 381 S N 1.548 117.260 115.700 0.019 0.000 2.576 381 S HA 0.185 4.776 4.470 0.203 0.000 0.272 381 S C -2.229 172.339 174.600 -0.053 0.000 1.352 381 S CA -0.597 57.591 58.200 -0.022 0.000 1.021 381 S CB 0.500 63.681 63.200 -0.032 0.000 0.887 381 S HN 0.090 nan 8.310 nan 0.000 0.542 382 P HA 0.227 nan 4.420 nan 0.000 0.274 382 P C 0.279 177.430 177.300 -0.249 0.000 1.470 382 P CA -0.184 62.819 63.100 -0.162 0.000 1.001 382 P CB 0.408 31.965 31.700 -0.238 0.000 1.332 383 L N 3.088 124.144 121.223 -0.279 0.000 2.027 383 L HA 0.003 4.464 4.340 0.203 0.000 0.206 383 L C 0.495 176.776 176.870 -0.982 0.000 1.074 383 L CA 1.895 56.386 54.840 -0.580 0.000 0.745 383 L CB -0.086 41.669 42.059 -0.506 0.000 0.898 383 L HN 0.197 nan 8.230 nan 0.000 0.433 384 F N -2.058 117.751 119.950 -0.234 0.000 2.626 384 F HA 0.536 5.181 4.527 0.196 0.000 0.311 384 F C -0.230 175.351 175.800 -0.365 0.000 1.088 384 F CA -0.774 57.029 58.000 -0.330 0.000 0.949 384 F CB 1.740 40.692 39.000 -0.080 0.000 1.322 384 F HN -0.317 nan 8.300 nan 0.000 0.461 385 M N 1.389 120.734 119.600 -0.427 0.000 2.322 385 M HA 0.763 5.365 4.480 0.203 0.000 0.285 385 M C -1.280 174.744 176.300 -0.460 0.000 1.119 385 M CA 0.055 55.059 55.300 -0.492 0.000 0.953 385 M CB 2.314 34.572 32.600 -0.569 0.000 1.701 385 M HN 0.795 nan 8.290 nan 0.000 0.479 386 G N 2.706 111.095 108.800 -0.685 0.000 2.550 386 G HA2 0.498 4.580 3.960 0.203 0.000 0.293 386 G HA3 0.498 4.580 3.960 0.203 0.000 0.293 386 G C -2.563 172.111 174.900 -0.377 0.000 1.402 386 G CA -0.763 44.100 45.100 -0.394 0.000 0.784 386 G HN 0.768 nan 8.290 nan 0.000 0.482 387 K N -0.428 120.013 120.400 0.068 0.000 2.464 387 K HA 0.674 5.116 4.320 0.203 0.000 0.253 387 K C -1.609 175.079 176.600 0.147 0.000 0.933 387 K CA -0.662 55.703 56.287 0.129 0.000 0.801 387 K CB 2.649 35.291 32.500 0.237 0.000 1.271 387 K HN 0.326 nan 8.250 nan 0.000 0.430 388 V N 4.879 124.777 119.914 -0.025 0.000 2.350 388 V HA 0.153 4.395 4.120 0.203 0.000 0.285 388 V C 0.738 176.874 176.094 0.069 0.000 1.014 388 V CA -0.562 61.703 62.300 -0.059 0.000 0.831 388 V CB 1.105 32.680 31.823 -0.413 0.000 1.000 388 V HN 0.738 nan 8.190 nan 0.000 0.433 389 V N 1.126 121.121 119.914 0.135 0.000 3.621 389 V HA 0.495 4.737 4.120 0.203 0.000 0.263 389 V C 0.494 176.756 176.094 0.280 0.000 1.272 389 V CA 0.510 62.948 62.300 0.230 0.000 1.080 389 V CB 0.348 32.270 31.823 0.165 0.000 0.816 389 V HN 0.707 nan 8.190 nan 0.000 0.451 390 N N 0.459 119.226 118.700 0.111 0.000 2.812 390 N HA 0.395 5.257 4.740 0.203 0.000 0.262 390 N C -2.740 172.693 175.510 -0.127 0.000 1.241 390 N CA -1.147 51.916 53.050 0.022 0.000 0.854 390 N CB 2.015 40.548 38.487 0.076 0.000 1.506 390 N HN -0.088 nan 8.380 nan 0.000 0.576 391 P HA -0.078 nan 4.420 nan 0.000 0.223 391 P C 1.026 178.235 177.300 -0.151 0.000 1.144 391 P CA 1.434 64.362 63.100 -0.287 0.000 0.783 391 P CB 0.375 31.794 31.700 -0.469 0.000 0.771 392 T N -5.558 108.933 114.554 -0.105 0.000 3.021 392 T HA -0.010 4.462 4.350 0.203 0.000 0.245 392 T C 1.162 175.845 174.700 -0.028 0.000 1.028 392 T CA -0.125 61.944 62.100 -0.051 0.000 1.139 392 T CB -0.830 68.024 68.868 -0.023 0.000 0.884 392 T HN 0.008 nan 8.240 nan 0.000 0.457 393 Q N 1.636 121.427 119.800 -0.015 0.000 2.450 393 Q HA 0.081 4.542 4.340 0.203 0.000 0.294 393 Q C -0.690 175.306 176.000 -0.006 0.000 1.129 393 Q CA 0.746 56.549 55.803 -0.000 0.000 0.970 393 Q CB 0.486 29.233 28.738 0.015 0.000 1.294 393 Q HN 0.284 nan 8.270 nan 0.000 0.453 394 K N 0.000 120.398 120.400 -0.003 0.000 2.780 394 K HA 0.000 4.442 4.320 0.203 0.000 0.191 394 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 394 K CB 0.000 32.496 32.500 -0.006 0.000 1.064 394 K HN 0.000 nan 8.250 nan 0.000 0.543