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 1hjv_1_D DATA FIRST_RESID 22 DATA SEQUENCE YKLVcYYTSW SQYREGDGSC FPDALDRFLc THIIYSFANI SNDHIDTWEW DATA SEQUENCE NDVTLYGMLN TLKNRNPNLK TLLSVGGWNF GSQRFSKIAS NTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKQHFT TLIKEMKAEF IKEAQPGKKQ DATA SEQUENCE LLLSAALSAG KVTIDSSYDI AKISQHLDFI SIMTYDFHGA WRGTTGHHSP DATA SEQUENCE LFRGQEDASP DRFSNTDYAV GYMLRLGAPA SKLVMGIPTF GRSFTLASSE DATA SEQUENCE TGVGAPISGP GIPGRFTKEA GTLAYYEIcD FLRGATVHRI LGQQVPYATK DATA SEQUENCE GNQWVGYDDQ ESVKSKVQYL KDRQLAGAMV WALDLDDFQG SFcGQDLRFP DATA SEQUENCE LTNAIKDALA AT 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.891 175.900 -0.015 0.000 1.272 22 Y CA 0.000 58.096 58.100 -0.007 0.000 1.940 22 Y CB 0.000 38.458 38.460 -0.004 0.000 1.050 23 K N 2.759 123.231 120.400 0.119 0.000 2.339 23 K HA 0.446 4.766 4.320 -0.000 0.000 0.286 23 K C -0.946 175.626 176.600 -0.047 0.000 1.050 23 K CA -0.628 55.645 56.287 -0.023 0.000 0.956 23 K CB 0.967 33.308 32.500 -0.265 0.000 0.990 23 K HN 0.413 nan 8.250 nan 0.000 0.475 24 L N 5.425 126.649 121.223 0.000 0.000 2.371 24 L HA 0.203 4.543 4.340 -0.000 0.000 0.262 24 L C -0.992 175.864 176.870 -0.024 0.000 1.054 24 L CA -0.615 54.222 54.840 -0.005 0.000 0.924 24 L CB 0.997 43.076 42.059 0.033 0.000 1.295 24 L HN 0.257 nan 8.230 nan 0.000 0.441 25 V N 3.453 123.302 119.914 -0.109 0.000 2.521 25 V HA 0.235 4.355 4.120 -0.000 0.000 0.286 25 V C 0.160 176.241 176.094 -0.022 0.000 1.034 25 V CA -0.103 62.131 62.300 -0.109 0.000 1.045 25 V CB 0.636 32.341 31.823 -0.196 0.000 0.974 25 V HN 0.824 nan 8.190 nan 0.000 0.480 26 c N 4.933 123.496 118.600 -0.062 0.000 2.547 26 c HA 0.627 5.197 4.570 -0.000 0.000 0.313 26 c C -0.405 173.599 174.090 -0.143 0.000 1.191 26 c CA -1.225 55.082 56.329 -0.037 0.000 1.474 26 c CB 0.988 43.473 42.510 -0.042 0.000 2.081 26 c HN 0.767 nan 8.230 nan 0.000 0.476 27 Y N 0.676 120.933 120.300 -0.071 0.000 2.403 27 Y HA 0.566 5.115 4.550 -0.000 0.000 0.323 27 Y C -0.172 175.509 175.900 -0.367 0.000 1.226 27 Y CA -0.081 57.866 58.100 -0.256 0.000 1.235 27 Y CB 0.966 39.130 38.460 -0.495 0.000 1.248 27 Y HN 0.703 nan 8.280 nan 0.000 0.489 28 Y N 1.232 121.280 120.300 -0.420 0.000 2.433 28 Y HA 0.434 4.984 4.550 -0.000 0.000 0.337 28 Y C -0.740 174.633 175.900 -0.878 0.000 1.026 28 Y CA -1.182 56.573 58.100 -0.575 0.000 1.037 28 Y CB 1.361 39.578 38.460 -0.405 0.000 1.245 28 Y HN 0.641 nan 8.280 nan 0.000 0.443 29 T N 0.939 114.417 114.554 -1.792 0.000 2.875 29 T HA 0.293 4.643 4.350 -0.000 0.000 0.284 29 T C 0.912 174.426 174.700 -1.977 0.000 0.995 29 T CA -0.109 60.747 62.100 -2.074 0.000 1.060 29 T CB 1.398 68.557 68.868 -2.849 0.000 0.967 29 T HN 0.737 nan 8.240 nan 0.000 0.476 30 S N 0.841 115.803 115.700 -1.231 0.000 2.507 30 S HA -0.069 4.401 4.470 -0.000 0.000 0.235 30 S C 1.184 175.583 174.600 -0.335 0.000 0.988 30 S CA 0.117 57.976 58.200 -0.569 0.000 0.944 30 S CB -0.857 62.344 63.200 0.000 0.000 0.762 30 S HN 1.006 nan 8.310 nan 0.000 0.526 31 W N 1.790 122.864 121.300 -0.377 0.000 3.239 31 W HA 0.483 5.142 4.660 -0.000 0.000 0.348 31 W C 1.247 177.563 176.519 -0.338 0.000 1.183 31 W CA -0.107 57.111 57.345 -0.210 0.000 1.819 31 W CB -0.646 28.838 29.460 0.041 0.000 1.091 31 W HN 0.239 nan 8.180 nan 0.000 0.629 32 S N 0.476 115.715 115.700 -0.768 0.000 2.603 32 S HA -0.137 4.332 4.470 -0.000 0.000 0.220 32 S C 1.574 175.867 174.600 -0.511 0.000 0.967 32 S CA 0.761 58.605 58.200 -0.594 0.000 0.920 32 S CB -0.556 62.163 63.200 -0.801 0.000 0.773 32 S HN 0.673 nan 8.310 nan 0.000 0.529 33 Q N 0.221 119.587 119.800 -0.723 0.000 2.123 33 Q HA 0.019 4.359 4.340 -0.000 0.000 0.196 33 Q C 0.431 176.209 176.000 -0.370 0.000 0.958 33 Q CA 0.635 55.915 55.803 -0.871 0.000 0.841 33 Q CB -0.881 27.062 28.738 -1.326 0.000 0.915 33 Q HN 0.664 nan 8.270 nan 0.000 0.455 34 Y N 1.808 122.140 120.300 0.054 0.000 2.544 34 Y HA 0.248 4.798 4.550 -0.000 0.000 0.356 34 Y C -0.048 175.941 175.900 0.148 0.000 1.173 34 Y CA -0.135 58.053 58.100 0.147 0.000 1.318 34 Y CB -0.476 38.093 38.460 0.181 0.000 1.207 34 Y HN -0.002 nan 8.280 nan 0.000 0.490 35 R N 0.540 121.172 120.500 0.221 0.000 2.589 35 R HA 0.239 4.579 4.340 -0.000 0.000 0.293 35 R C 0.383 176.849 176.300 0.277 0.000 0.963 35 R CA -0.878 55.376 56.100 0.256 0.000 0.905 35 R CB 1.533 32.003 30.300 0.283 0.000 1.144 35 R HN 0.333 nan 8.270 nan 0.000 0.459 36 E N 0.707 121.040 120.200 0.221 0.000 2.533 36 E HA -0.168 4.182 4.350 -0.000 0.000 0.269 36 E C 1.115 177.907 176.600 0.320 0.000 1.234 36 E CA 0.786 57.282 56.400 0.161 0.000 1.086 36 E CB 0.246 29.895 29.700 -0.086 0.000 1.016 36 E HN 0.803 nan 8.360 nan 0.000 0.479 37 G N 1.734 110.687 108.800 0.254 0.000 3.475 37 G HA2 -0.391 3.568 3.960 -0.000 0.000 0.670 37 G HA3 -0.391 3.568 3.960 -0.000 0.000 0.670 37 G C 0.743 175.875 174.900 0.387 0.000 0.911 37 G CA 1.100 46.385 45.100 0.308 0.000 0.746 37 G HN 0.698 nan 8.290 nan 0.000 1.236 38 D N 0.833 121.478 120.400 0.407 0.000 2.357 38 D HA -0.076 4.563 4.640 -0.000 0.000 0.216 38 D C 2.402 178.761 176.300 0.098 0.000 0.973 38 D CA 1.288 55.394 54.000 0.178 0.000 0.912 38 D CB -0.656 40.153 40.800 0.014 0.000 0.900 38 D HN 0.411 nan 8.370 nan 0.000 0.501 39 G N 0.169 109.153 108.800 0.305 0.000 2.430 39 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 39 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 39 G C 0.857 175.970 174.900 0.355 0.000 1.146 39 G CA 0.090 45.338 45.100 0.247 0.000 0.793 39 G HN 0.245 nan 8.290 nan 0.000 0.537 40 S N -0.685 115.207 115.700 0.320 0.000 2.552 40 S HA 0.239 4.709 4.470 -0.000 0.000 0.289 40 S C -0.264 174.422 174.600 0.143 0.000 1.304 40 S CA -0.272 58.033 58.200 0.175 0.000 1.063 40 S CB 0.198 63.537 63.200 0.231 0.000 0.848 40 S HN 0.385 nan 8.310 nan 0.000 0.499 41 C N 6.471 125.663 119.300 -0.180 0.000 2.535 41 C HA 0.786 5.246 4.460 -0.000 0.000 0.319 41 C C -1.339 173.498 174.990 -0.255 0.000 1.171 41 C CA -0.828 58.048 59.018 -0.236 0.000 1.394 41 C CB -0.253 27.005 27.740 -0.803 0.000 1.990 41 C HN 0.862 nan 8.230 nan 0.000 0.466 42 F N 4.839 124.824 119.950 0.059 0.000 2.561 42 F HA 0.482 5.009 4.527 -0.000 0.000 0.321 42 F C -1.525 174.168 175.800 -0.179 0.000 1.065 42 F CA -1.937 56.082 58.000 0.031 0.000 0.934 42 F CB 1.584 40.594 39.000 0.018 0.000 1.215 42 F HN 0.355 nan 8.300 nan 0.000 0.471 43 P HA -0.212 nan 4.420 nan 0.000 0.219 43 P C 0.767 177.984 177.300 -0.137 0.000 1.145 43 P CA 1.591 64.443 63.100 -0.414 0.000 0.813 43 P CB 0.036 31.575 31.700 -0.268 0.000 0.771 44 D N -1.430 118.971 120.400 0.001 0.000 2.355 44 D HA 0.013 4.653 4.640 -0.000 0.000 0.218 44 D C 1.359 177.707 176.300 0.081 0.000 1.004 44 D CA 0.428 54.442 54.000 0.023 0.000 0.880 44 D CB -0.587 40.225 40.800 0.021 0.000 0.911 44 D HN 0.109 nan 8.370 nan 0.000 0.528 45 A N 0.411 123.312 122.820 0.135 0.000 2.251 45 A HA 0.245 4.565 4.320 -0.000 0.000 0.209 45 A C 1.115 178.898 177.584 0.332 0.000 1.187 45 A CA -0.259 51.927 52.037 0.249 0.000 0.823 45 A CB -0.241 18.972 19.000 0.355 0.000 0.846 45 A HN 0.224 nan 8.150 nan 0.000 0.486 46 L N 0.340 121.666 121.223 0.172 0.000 2.350 46 L HA 0.264 4.604 4.340 -0.000 0.000 0.275 46 L C -0.203 176.676 176.870 0.016 0.000 1.099 46 L CA -0.827 54.067 54.840 0.090 0.000 0.808 46 L CB 0.673 42.677 42.059 -0.090 0.000 1.149 46 L HN 0.117 nan 8.230 nan 0.000 0.442 47 D N 2.108 122.453 120.400 -0.092 0.000 2.358 47 D HA 0.037 4.677 4.640 -0.000 0.000 0.258 47 D C 1.128 177.375 176.300 -0.089 0.000 1.223 47 D CA -0.044 53.938 54.000 -0.031 0.000 0.886 47 D CB 0.987 41.753 40.800 -0.056 0.000 1.120 47 D HN 0.454 nan 8.370 nan 0.000 0.482 48 R N 2.881 123.327 120.500 -0.090 0.000 2.105 48 R HA -0.156 4.184 4.340 -0.000 0.000 0.239 48 R C 1.592 177.681 176.300 -0.351 0.000 1.135 48 R CA 1.278 57.214 56.100 -0.275 0.000 0.967 48 R CB -0.208 29.830 30.300 -0.436 0.000 0.861 48 R HN 0.424 nan 8.270 nan 0.000 0.442 49 F N 0.058 119.979 119.950 -0.050 0.000 2.743 49 F HA 0.087 4.614 4.527 -0.000 0.000 0.297 49 F C 1.829 177.598 175.800 -0.051 0.000 1.131 49 F CA -0.170 57.805 58.000 -0.041 0.000 1.426 49 F CB -0.101 38.886 39.000 -0.021 0.000 1.116 49 F HN -0.071 nan 8.300 nan 0.000 0.583 50 L N -0.323 120.935 121.223 0.058 0.000 1.989 50 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 50 L C 0.913 177.768 176.870 -0.026 0.000 1.071 50 L CA 1.298 56.124 54.840 -0.023 0.000 0.749 50 L CB -0.381 41.562 42.059 -0.194 0.000 0.890 50 L HN 0.093 nan 8.230 nan 0.000 0.431 51 c N -2.175 116.392 118.600 -0.054 0.000 2.505 51 c HA 0.503 5.073 4.570 -0.000 0.000 0.358 51 c C 1.863 175.955 174.090 0.002 0.000 1.226 51 c CA 0.004 56.321 56.329 -0.021 0.000 1.900 51 c CB 1.330 43.815 42.510 -0.041 0.000 2.306 51 c HN 0.567 nan 8.230 nan 0.000 0.512 52 T N -2.501 112.095 114.554 0.070 0.000 3.037 52 T HA 0.151 4.501 4.350 -0.000 0.000 0.251 52 T C -0.084 174.587 174.700 -0.050 0.000 1.079 52 T CA 0.808 62.953 62.100 0.076 0.000 1.067 52 T CB -0.211 68.802 68.868 0.242 0.000 0.948 52 T HN 0.785 nan 8.240 nan 0.000 0.496 53 H N -0.112 118.919 119.070 -0.066 0.000 3.017 53 H HA 0.571 5.126 4.556 -0.000 0.000 0.340 53 H C -1.262 174.027 175.328 -0.065 0.000 1.014 53 H CA -0.963 55.057 56.048 -0.047 0.000 1.341 53 H CB 1.103 30.831 29.762 -0.057 0.000 1.739 53 H HN 0.187 nan 8.280 nan 0.000 0.506 54 I N 4.590 125.186 120.570 0.044 0.000 2.355 54 I HA 0.351 4.521 4.170 -0.000 0.000 0.288 54 I C -0.313 175.824 176.117 0.033 0.000 0.999 54 I CA -0.462 60.836 61.300 -0.004 0.000 1.163 54 I CB 1.196 39.179 38.000 -0.028 0.000 1.316 54 I HN 0.407 nan 8.210 nan 0.000 0.454 55 I N 6.177 126.700 120.570 -0.079 0.000 2.354 55 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 55 I C -0.645 175.481 176.117 0.014 0.000 0.989 55 I CA -0.778 60.475 61.300 -0.078 0.000 1.188 55 I CB 1.272 39.041 38.000 -0.386 0.000 1.342 55 I HN 0.445 nan 8.210 nan 0.000 0.457 56 Y N 5.816 126.125 120.300 0.015 0.000 2.316 56 Y HA 0.385 4.935 4.550 -0.000 0.000 0.331 56 Y C 0.328 176.206 175.900 -0.038 0.000 1.083 56 Y CA 0.057 58.202 58.100 0.075 0.000 1.206 56 Y CB 1.055 39.625 38.460 0.183 0.000 1.195 56 Y HN 0.640 nan 8.280 nan 0.000 0.497 57 S N 4.716 120.159 115.700 -0.428 0.000 2.546 57 S HA 0.703 5.173 4.470 -0.000 0.000 0.272 57 S C -1.387 172.935 174.600 -0.463 0.000 1.140 57 S CA -0.823 57.021 58.200 -0.593 0.000 0.920 57 S CB 1.166 63.544 63.200 -1.369 0.000 1.083 57 S HN 0.432 nan 8.310 nan 0.000 0.476 58 F N 0.728 120.751 119.950 0.121 0.000 2.661 58 F HA 0.878 5.405 4.527 -0.000 0.000 0.347 58 F C 0.460 176.469 175.800 0.347 0.000 1.086 58 F CA -0.745 57.372 58.000 0.195 0.000 1.016 58 F CB 1.774 40.821 39.000 0.078 0.000 1.368 58 F HN 0.938 nan 8.300 nan 0.000 0.505 59 A N 1.587 124.801 122.820 0.657 0.000 2.331 59 A HA 0.585 4.905 4.320 -0.000 0.000 0.320 59 A C -0.804 177.200 177.584 0.699 0.000 1.138 59 A CA -0.577 51.823 52.037 0.605 0.000 0.790 59 A CB 0.828 20.042 19.000 0.357 0.000 1.206 59 A HN 0.700 nan 8.150 nan 0.000 0.470 60 N N 0.801 119.950 118.700 0.750 0.000 2.413 60 N HA 0.591 5.331 4.740 -0.000 0.000 0.266 60 N C -0.820 174.904 175.510 0.357 0.000 1.238 60 N CA -0.344 53.077 53.050 0.618 0.000 0.972 60 N CB 0.523 39.136 38.487 0.211 0.000 1.210 60 N HN 0.501 nan 8.380 nan 0.000 0.547 61 I N 0.674 121.394 120.570 0.251 0.000 2.521 61 I HA 0.164 4.334 4.170 -0.000 0.000 0.277 61 I C -0.599 175.522 176.117 0.007 0.000 1.054 61 I CA -0.457 60.926 61.300 0.139 0.000 1.117 61 I CB 1.401 39.418 38.000 0.028 0.000 1.217 61 I HN 0.282 nan 8.210 nan 0.000 0.469 62 S N 5.188 120.909 115.700 0.035 0.000 2.461 62 S HA 0.374 4.844 4.470 -0.000 0.000 0.322 62 S C 0.170 174.784 174.600 0.022 0.000 1.063 62 S CA -0.178 58.010 58.200 -0.019 0.000 1.120 62 S CB -0.162 63.019 63.200 -0.033 0.000 0.968 62 S HN 0.725 nan 8.310 nan 0.000 0.467 63 N N 3.881 122.585 118.700 0.006 0.000 2.932 63 N HA -0.122 4.618 4.740 -0.000 0.000 0.247 63 N C -0.600 175.030 175.510 0.200 0.000 1.101 63 N CA 0.880 53.947 53.050 0.028 0.000 0.672 63 N CB -1.291 37.157 38.487 -0.066 0.000 0.985 63 N HN 0.769 nan 8.380 nan 0.000 0.561 64 D N -1.916 118.574 120.400 0.150 0.000 3.018 64 D HA -0.261 4.379 4.640 -0.000 0.000 0.224 64 D C -0.368 176.144 176.300 0.355 0.000 1.185 64 D CA 1.598 55.714 54.000 0.193 0.000 0.858 64 D CB -1.126 39.775 40.800 0.168 0.000 1.112 64 D HN 0.700 nan 8.370 nan 0.000 0.415 65 H N -0.588 118.575 119.070 0.155 0.000 2.679 65 H HA 0.554 5.110 4.556 -0.000 0.000 0.367 65 H C 0.142 175.569 175.328 0.165 0.000 1.162 65 H CA -0.779 55.370 56.048 0.168 0.000 1.181 65 H CB 1.399 31.223 29.762 0.102 0.000 1.693 65 H HN -0.002 nan 8.280 nan 0.000 0.538 66 I N 2.616 123.274 120.570 0.147 0.000 2.311 66 I HA 0.060 4.230 4.170 -0.000 0.000 0.297 66 I C -0.489 175.467 176.117 -0.269 0.000 1.131 66 I CA 0.231 61.510 61.300 -0.035 0.000 1.289 66 I CB -0.488 37.354 38.000 -0.263 0.000 1.446 66 I HN 0.494 nan 8.210 nan 0.000 0.524 67 D N 4.932 125.327 120.400 -0.009 0.000 2.385 67 D HA 0.272 4.912 4.640 -0.000 0.000 0.254 67 D C 0.085 176.516 176.300 0.218 0.000 1.053 67 D CA -0.128 53.937 54.000 0.108 0.000 0.992 67 D CB 1.895 42.783 40.800 0.146 0.000 1.145 67 D HN 0.506 nan 8.370 nan 0.000 0.523 68 T N -2.016 112.767 114.554 0.383 0.000 2.726 68 T HA 0.018 4.368 4.350 -0.000 0.000 0.294 68 T C 0.788 175.730 174.700 0.402 0.000 1.013 68 T CA -0.358 62.012 62.100 0.451 0.000 0.996 68 T CB 1.436 70.501 68.868 0.329 0.000 1.016 68 T HN 0.536 nan 8.240 nan 0.000 0.529 69 W N -0.054 121.414 121.300 0.281 0.000 3.705 69 W HA 0.261 4.921 4.660 -0.000 0.000 0.224 69 W C 0.141 176.825 176.519 0.274 0.000 0.882 69 W CA 0.099 57.613 57.345 0.281 0.000 2.321 69 W CB 0.118 29.797 29.460 0.364 0.000 1.107 69 W HN 0.570 nan 8.180 nan 0.000 0.692 70 E N 1.994 122.582 120.200 0.645 0.000 2.343 70 E HA -0.014 4.336 4.350 -0.000 0.000 0.269 70 E C 1.396 178.208 176.600 0.353 0.000 1.047 70 E CA -0.132 56.606 56.400 0.563 0.000 0.874 70 E CB 0.094 30.128 29.700 0.557 0.000 1.033 70 E HN 0.285 nan 8.360 nan 0.000 0.409 71 W N 4.308 125.735 121.300 0.212 0.000 2.290 71 W HA -0.244 4.416 4.660 -0.000 0.000 0.311 71 W C 0.702 177.296 176.519 0.126 0.000 1.238 71 W CA 1.533 58.963 57.345 0.142 0.000 1.255 71 W CB -1.083 28.454 29.460 0.128 0.000 1.145 71 W HN 0.438 nan 8.180 nan 0.000 0.506 72 N N 0.899 119.135 118.700 -0.774 0.000 2.276 72 N HA -0.074 4.666 4.740 -0.000 0.000 0.212 72 N C 0.523 175.794 175.510 -0.398 0.000 1.127 72 N CA 0.501 53.131 53.050 -0.701 0.000 0.834 72 N CB -0.689 37.089 38.487 -1.182 0.000 1.014 72 N HN -0.051 nan 8.380 nan 0.000 0.491 73 D N 0.936 121.157 120.400 -0.298 0.000 2.190 73 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 73 D C 1.762 177.453 176.300 -1.014 0.000 0.992 73 D CA 0.778 54.466 54.000 -0.521 0.000 0.854 73 D CB 0.182 40.753 40.800 -0.382 0.000 0.936 73 D HN 0.137 nan 8.370 nan 0.000 0.462 74 V N 0.268 119.819 119.914 -0.606 0.000 2.667 74 V HA -0.158 3.961 4.120 -0.000 0.000 0.252 74 V C 2.323 178.274 176.094 -0.238 0.000 1.065 74 V CA 1.574 63.620 62.300 -0.424 0.000 1.083 74 V CB -0.527 31.218 31.823 -0.129 0.000 0.692 74 V HN 0.205 nan 8.190 nan 0.000 0.468 75 T N 0.431 114.848 114.554 -0.228 0.000 2.735 75 T HA -0.051 4.299 4.350 -0.000 0.000 0.256 75 T C 1.902 176.533 174.700 -0.115 0.000 1.042 75 T CA 1.077 63.090 62.100 -0.144 0.000 1.147 75 T CB -0.276 68.498 68.868 -0.156 0.000 0.865 75 T HN 0.167 nan 8.240 nan 0.000 0.421 76 L N 0.644 121.796 121.223 -0.119 0.000 2.013 76 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 76 L C 2.308 179.168 176.870 -0.017 0.000 1.073 76 L CA 1.629 56.476 54.840 0.012 0.000 0.753 76 L CB -1.402 40.760 42.059 0.172 0.000 0.890 76 L HN 0.296 nan 8.230 nan 0.000 0.432 77 Y N -0.110 120.022 120.300 -0.280 0.000 2.181 77 Y HA -0.210 4.339 4.550 -0.000 0.000 0.284 77 Y C 2.468 178.169 175.900 -0.332 0.000 1.179 77 Y CA 0.952 58.818 58.100 -0.390 0.000 1.179 77 Y CB -1.528 36.696 38.460 -0.394 0.000 0.973 77 Y HN 0.199 nan 8.280 nan 0.000 0.519 78 G N -0.792 107.973 108.800 -0.057 0.000 2.424 78 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.214 78 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.214 78 G C 1.740 176.588 174.900 -0.087 0.000 1.202 78 G CA 0.809 45.856 45.100 -0.088 0.000 0.793 78 G HN 0.289 nan 8.290 nan 0.000 0.534 79 M N -0.114 119.451 119.600 -0.058 0.000 2.255 79 M HA -0.106 4.374 4.480 -0.000 0.000 0.259 79 M C 2.407 178.666 176.300 -0.069 0.000 1.071 79 M CA 1.051 56.321 55.300 -0.051 0.000 1.074 79 M CB -0.330 32.262 32.600 -0.014 0.000 1.384 79 M HN 0.312 nan 8.290 nan 0.000 0.415 80 L N 0.804 121.984 121.223 -0.071 0.000 2.049 80 L HA -0.055 4.285 4.340 -0.000 0.000 0.203 80 L C 1.884 178.684 176.870 -0.116 0.000 1.074 80 L CA 1.817 56.608 54.840 -0.083 0.000 0.749 80 L CB -0.812 41.250 42.059 0.005 0.000 0.907 80 L HN 0.204 nan 8.230 nan 0.000 0.439 81 N N -0.654 117.947 118.700 -0.166 0.000 2.364 81 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 81 N C 1.521 176.945 175.510 -0.142 0.000 1.022 81 N CA 1.559 54.497 53.050 -0.187 0.000 0.883 81 N CB -0.497 37.833 38.487 -0.262 0.000 0.965 81 N HN 0.445 nan 8.380 nan 0.000 0.438 82 T N 1.340 115.823 114.554 -0.120 0.000 2.977 82 T HA 0.031 4.381 4.350 -0.000 0.000 0.271 82 T C 1.950 176.586 174.700 -0.106 0.000 1.105 82 T CA 0.394 62.434 62.100 -0.100 0.000 1.116 82 T CB -0.014 68.805 68.868 -0.080 0.000 0.878 82 T HN 0.206 nan 8.240 nan 0.000 0.509 83 L N 0.177 121.327 121.223 -0.122 0.000 2.478 83 L HA 0.073 4.413 4.340 -0.000 0.000 0.223 83 L C 2.393 179.151 176.870 -0.187 0.000 1.140 83 L CA 0.875 55.626 54.840 -0.148 0.000 0.842 83 L CB -0.287 41.684 42.059 -0.147 0.000 0.953 83 L HN 0.175 nan 8.230 nan 0.000 0.452 84 K N 0.004 120.309 120.400 -0.158 0.000 2.228 84 K HA -0.049 4.271 4.320 -0.000 0.000 0.202 84 K C 1.574 178.088 176.600 -0.144 0.000 1.051 84 K CA 0.846 57.038 56.287 -0.158 0.000 0.960 84 K CB -0.174 32.248 32.500 -0.130 0.000 0.743 84 K HN 0.438 nan 8.250 nan 0.000 0.458 85 N N 1.122 119.749 118.700 -0.121 0.000 2.021 85 N HA -0.196 4.544 4.740 -0.000 0.000 0.198 85 N C 1.460 176.917 175.510 -0.088 0.000 1.041 85 N CA 1.125 54.120 53.050 -0.092 0.000 0.862 85 N CB -0.082 38.360 38.487 -0.075 0.000 1.048 85 N HN 0.097 nan 8.380 nan 0.000 0.427 86 R N 0.486 120.919 120.500 -0.113 0.000 2.335 86 R HA 0.104 4.444 4.340 -0.000 0.000 0.223 86 R C -0.289 175.908 176.300 -0.171 0.000 0.940 86 R CA 0.088 56.138 56.100 -0.083 0.000 1.086 86 R CB -0.057 30.223 30.300 -0.033 0.000 1.073 86 R HN 0.208 nan 8.270 nan 0.000 0.504 87 N N -0.488 118.064 118.700 -0.246 0.000 2.946 87 N HA 0.139 4.879 4.740 -0.000 0.000 0.213 87 N C -2.579 172.817 175.510 -0.190 0.000 1.440 87 N CA -1.102 51.764 53.050 -0.306 0.000 0.745 87 N CB 1.204 39.214 38.487 -0.795 0.000 1.471 87 N HN -0.260 nan 8.380 nan 0.000 0.569 88 P HA 0.014 nan 4.420 nan 0.000 0.234 88 P C 0.216 177.469 177.300 -0.079 0.000 1.162 88 P CA 0.943 63.993 63.100 -0.083 0.000 0.759 88 P CB 0.043 31.713 31.700 -0.050 0.000 0.813 89 N N -1.004 117.648 118.700 -0.081 0.000 2.376 89 N HA -0.035 4.705 4.740 -0.000 0.000 0.177 89 N C 0.496 175.933 175.510 -0.122 0.000 1.024 89 N CA -0.302 52.705 53.050 -0.071 0.000 0.893 89 N CB -0.214 38.258 38.487 -0.024 0.000 0.980 89 N HN 0.096 nan 8.380 nan 0.000 0.439 90 L N 2.507 123.639 121.223 -0.152 0.000 2.499 90 L HA 0.057 4.397 4.340 -0.000 0.000 0.273 90 L C -0.287 176.476 176.870 -0.178 0.000 1.195 90 L CA 0.589 55.323 54.840 -0.177 0.000 0.882 90 L CB 0.161 42.106 42.059 -0.190 0.000 1.133 90 L HN -0.049 nan 8.230 nan 0.000 0.483 91 K N 2.932 123.184 120.400 -0.246 0.000 2.281 91 K HA 0.777 5.097 4.320 -0.000 0.000 0.242 91 K C -0.618 175.942 176.600 -0.068 0.000 0.971 91 K CA -0.686 55.483 56.287 -0.195 0.000 0.834 91 K CB 1.920 34.204 32.500 -0.360 0.000 1.181 91 K HN 0.752 nan 8.250 nan 0.000 0.435 92 T N -0.991 113.599 114.554 0.061 0.000 2.900 92 T HA 0.677 5.027 4.350 -0.000 0.000 0.303 92 T C -1.319 173.548 174.700 0.277 0.000 1.142 92 T CA -0.915 61.293 62.100 0.181 0.000 1.007 92 T CB 0.855 69.857 68.868 0.222 0.000 1.156 92 T HN 0.223 nan 8.240 nan 0.000 0.490 93 L N 1.773 123.139 121.223 0.237 0.000 2.422 93 L HA 0.690 5.030 4.340 -0.000 0.000 0.264 93 L C -1.027 175.780 176.870 -0.105 0.000 0.984 93 L CA -0.856 54.058 54.840 0.125 0.000 0.819 93 L CB 1.964 44.121 42.059 0.163 0.000 1.330 93 L HN 0.770 nan 8.230 nan 0.000 0.410 94 L N 1.450 122.435 121.223 -0.396 0.000 2.264 94 L HA 0.614 4.954 4.340 -0.000 0.000 0.289 94 L C 0.176 177.021 176.870 -0.041 0.000 1.044 94 L CA 0.395 54.922 54.840 -0.522 0.000 0.807 94 L CB 1.347 42.818 42.059 -0.980 0.000 1.192 94 L HN 0.641 nan 8.230 nan 0.000 0.425 95 S N 4.022 119.806 115.700 0.141 0.000 2.513 95 S HA 0.527 4.997 4.470 -0.000 0.000 0.276 95 S C -0.739 174.178 174.600 0.528 0.000 1.254 95 S CA -0.530 57.892 58.200 0.369 0.000 1.053 95 S CB 0.988 64.483 63.200 0.492 0.000 0.958 95 S HN 0.606 nan 8.310 nan 0.000 0.491 96 V N 6.190 126.407 119.914 0.506 0.000 2.417 96 V HA 0.823 4.942 4.120 -0.000 0.000 0.291 96 V C 0.645 176.970 176.094 0.385 0.000 1.024 96 V CA 1.114 63.693 62.300 0.465 0.000 0.861 96 V CB 0.430 32.485 31.823 0.387 0.000 0.985 96 V HN 1.317 nan 8.190 nan 0.000 0.436 97 G N 4.437 113.343 108.800 0.175 0.000 2.254 97 G HA2 0.499 4.459 3.960 -0.000 0.000 0.193 97 G HA3 0.499 4.459 3.960 -0.000 0.000 0.193 97 G C 0.580 175.039 174.900 -0.735 0.000 1.233 97 G CA 0.161 45.148 45.100 -0.189 0.000 1.290 97 G HN 2.553 nan 8.290 nan 0.000 0.517 98 G N -1.880 106.293 108.800 -1.046 0.000 2.662 98 G HA2 0.069 4.029 3.960 -0.000 0.000 0.686 98 G HA3 0.069 4.029 3.960 -0.000 0.000 0.686 98 G C 0.734 175.364 174.900 -0.451 0.000 1.271 98 G CA 0.460 44.627 45.100 -1.554 0.000 0.816 98 G HN 1.786 nan 8.290 nan 0.000 0.608 99 W N 0.669 121.722 121.300 -0.411 0.000 2.318 99 W HA -0.217 4.443 4.660 -0.000 0.000 0.313 99 W C 2.115 178.538 176.519 -0.160 0.000 1.221 99 W CA 2.101 59.291 57.345 -0.258 0.000 1.266 99 W CB -0.028 29.316 29.460 -0.194 0.000 1.150 99 W HN 0.657 nan 8.180 nan 0.000 0.496 100 N N 0.253 118.846 118.700 -0.179 0.000 2.051 100 N HA -0.211 4.528 4.740 -0.000 0.000 0.192 100 N C 1.500 176.990 175.510 -0.035 0.000 1.049 100 N CA 1.737 54.690 53.050 -0.162 0.000 0.845 100 N CB -1.597 36.858 38.487 -0.053 0.000 1.031 100 N HN 0.114 nan 8.380 nan 0.000 0.425 101 F N 0.887 120.811 119.950 -0.044 0.000 2.098 101 F HA -0.312 4.215 4.527 -0.000 0.000 0.285 101 F C 1.057 176.831 175.800 -0.044 0.000 1.096 101 F CA 2.327 60.379 58.000 0.086 0.000 1.301 101 F CB -0.737 38.302 39.000 0.066 0.000 0.934 101 F HN 0.301 nan 8.300 nan 0.000 0.508 102 G N -1.338 107.612 108.800 0.250 0.000 3.187 102 G HA2 0.049 4.009 3.960 -0.000 0.000 0.682 102 G HA3 0.049 4.009 3.960 -0.000 0.000 0.682 102 G C 0.203 175.221 174.900 0.196 0.000 1.266 102 G CA 0.121 45.261 45.100 0.066 0.000 0.902 102 G HN 0.616 nan 8.290 nan 0.000 0.589 103 S N 0.811 116.544 115.700 0.054 0.000 2.370 103 S HA -0.158 4.311 4.470 -0.000 0.000 0.226 103 S C 2.295 177.035 174.600 0.232 0.000 1.033 103 S CA 2.590 60.911 58.200 0.202 0.000 1.011 103 S CB -0.152 63.123 63.200 0.125 0.000 0.852 103 S HN 0.738 nan 8.310 nan 0.000 0.457 104 Q N 0.392 120.267 119.800 0.124 0.000 2.016 104 Q HA -0.044 4.296 4.340 -0.000 0.000 0.200 104 Q C 2.532 178.578 176.000 0.077 0.000 0.978 104 Q CA 1.319 57.181 55.803 0.099 0.000 0.833 104 Q CB -0.266 28.494 28.738 0.035 0.000 0.895 104 Q HN 0.453 nan 8.270 nan 0.000 0.427 105 R N 0.027 120.563 120.500 0.059 0.000 2.143 105 R HA -0.218 4.122 4.340 -0.000 0.000 0.239 105 R C 2.137 178.466 176.300 0.049 0.000 1.126 105 R CA 1.989 58.101 56.100 0.021 0.000 0.927 105 R CB -0.573 29.660 30.300 -0.111 0.000 0.860 105 R HN 0.175 nan 8.270 nan 0.000 0.433 106 F N 0.834 120.771 119.950 -0.022 0.000 2.091 106 F HA -0.301 4.226 4.527 -0.000 0.000 0.299 106 F C 2.877 178.266 175.800 -0.685 0.000 1.103 106 F CA 1.977 59.599 58.000 -0.631 0.000 1.228 106 F CB -0.785 37.347 39.000 -1.446 0.000 0.984 106 F HN 0.039 nan 8.300 nan 0.000 0.477 107 S N -0.257 115.374 115.700 -0.115 0.000 2.368 107 S HA -0.351 4.119 4.470 -0.000 0.000 0.226 107 S C 2.302 176.980 174.600 0.130 0.000 1.044 107 S CA 2.106 60.422 58.200 0.192 0.000 1.062 107 S CB -0.560 62.825 63.200 0.308 0.000 0.931 107 S HN 0.478 nan 8.310 nan 0.000 0.440 108 K N 0.535 120.965 120.400 0.049 0.000 1.973 108 K HA -0.051 4.269 4.320 -0.000 0.000 0.212 108 K C 2.077 178.661 176.600 -0.026 0.000 1.047 108 K CA 1.965 58.266 56.287 0.023 0.000 0.937 108 K CB -0.516 31.981 32.500 -0.006 0.000 0.721 108 K HN 0.535 nan 8.250 nan 0.000 0.440 109 I N 0.895 121.401 120.570 -0.107 0.000 2.730 109 I HA -0.269 3.901 4.170 -0.000 0.000 0.266 109 I C 2.036 178.078 176.117 -0.126 0.000 1.228 109 I CA 1.177 62.376 61.300 -0.168 0.000 1.445 109 I CB -0.305 37.474 38.000 -0.368 0.000 1.102 109 I HN 0.324 nan 8.210 nan 0.000 0.464 110 A N -0.118 122.668 122.820 -0.056 0.000 2.192 110 A HA 0.039 4.359 4.320 -0.000 0.000 0.208 110 A C 2.296 179.874 177.584 -0.010 0.000 1.220 110 A CA 0.554 52.614 52.037 0.038 0.000 0.900 110 A CB -0.142 18.971 19.000 0.188 0.000 0.937 110 A HN 0.398 nan 8.150 nan 0.000 0.487 111 S N 2.115 117.807 115.700 -0.012 0.000 2.344 111 S HA -0.146 4.324 4.470 -0.000 0.000 0.217 111 S C 1.011 175.485 174.600 -0.210 0.000 1.033 111 S CA 0.812 58.891 58.200 -0.202 0.000 1.017 111 S CB -1.226 62.023 63.200 0.082 0.000 0.941 111 S HN 0.752 nan 8.310 nan 0.000 0.430 112 N N 1.323 119.979 118.700 -0.073 0.000 2.371 112 N HA 0.178 4.918 4.740 -0.000 0.000 0.243 112 N C 0.346 175.830 175.510 -0.043 0.000 1.287 112 N CA 0.389 53.411 53.050 -0.046 0.000 0.911 112 N CB -0.213 38.267 38.487 -0.013 0.000 1.142 112 N HN 0.153 nan 8.380 nan 0.000 0.451 113 T N -0.504 114.036 114.554 -0.025 0.000 3.067 113 T HA -0.030 4.320 4.350 -0.000 0.000 0.257 113 T C 1.293 175.996 174.700 0.006 0.000 1.105 113 T CA 0.373 62.466 62.100 -0.010 0.000 1.104 113 T CB -0.061 68.804 68.868 -0.005 0.000 0.925 113 T HN 0.381 nan 8.240 nan 0.000 0.498 114 Q N 1.839 121.644 119.800 0.008 0.000 1.856 114 Q HA -0.047 4.292 4.340 -0.000 0.000 0.233 114 Q C 2.682 178.700 176.000 0.029 0.000 0.995 114 Q CA 1.500 57.315 55.803 0.019 0.000 0.877 114 Q CB -1.229 27.519 28.738 0.017 0.000 0.937 114 Q HN 0.407 nan 8.270 nan 0.000 0.423 115 S N 1.014 116.729 115.700 0.026 0.000 2.402 115 S HA -0.209 4.261 4.470 -0.000 0.000 0.233 115 S C 1.866 176.501 174.600 0.057 0.000 1.030 115 S CA 1.551 59.772 58.200 0.036 0.000 1.003 115 S CB -0.274 62.927 63.200 0.001 0.000 0.813 115 S HN 0.319 nan 8.310 nan 0.000 0.477 116 R N 0.995 121.522 120.500 0.044 0.000 2.081 116 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 116 R C 2.437 178.801 176.300 0.106 0.000 1.131 116 R CA 1.404 57.554 56.100 0.082 0.000 0.960 116 R CB -0.088 30.238 30.300 0.043 0.000 0.856 116 R HN 0.155 nan 8.270 nan 0.000 0.436 117 R N 0.058 120.593 120.500 0.058 0.000 2.093 117 R HA -0.001 4.339 4.340 -0.000 0.000 0.224 117 R C 1.785 178.094 176.300 0.015 0.000 1.101 117 R CA 2.192 58.313 56.100 0.034 0.000 0.979 117 R CB -0.684 29.629 30.300 0.021 0.000 0.877 117 R HN 0.235 nan 8.270 nan 0.000 0.441 118 T N 0.854 115.422 114.554 0.023 0.000 2.652 118 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 118 T C 1.482 176.096 174.700 -0.142 0.000 1.039 118 T CA 1.600 63.677 62.100 -0.039 0.000 1.153 118 T CB -0.619 68.274 68.868 0.043 0.000 0.863 118 T HN 0.230 nan 8.240 nan 0.000 0.428 119 F N 2.038 121.885 119.950 -0.170 0.000 2.026 119 F HA -0.077 4.450 4.527 -0.000 0.000 0.296 119 F C 2.147 177.887 175.800 -0.099 0.000 1.133 119 F CA 0.853 58.758 58.000 -0.160 0.000 1.188 119 F CB -0.752 38.186 39.000 -0.104 0.000 0.968 119 F HN 0.050 nan 8.300 nan 0.000 0.476 120 I N 0.182 120.676 120.570 -0.128 0.000 2.185 120 I HA -0.381 3.789 4.170 -0.000 0.000 0.246 120 I C 2.584 178.604 176.117 -0.162 0.000 1.088 120 I CA 1.457 62.660 61.300 -0.162 0.000 1.347 120 I CB -0.614 37.386 38.000 -0.001 0.000 1.041 120 I HN 0.161 nan 8.210 nan 0.000 0.415 121 K N 1.060 121.379 120.400 -0.135 0.000 2.002 121 K HA -0.163 4.156 4.320 -0.000 0.000 0.209 121 K C 2.364 178.872 176.600 -0.152 0.000 1.048 121 K CA 2.137 58.355 56.287 -0.115 0.000 0.930 121 K CB -0.470 31.975 32.500 -0.091 0.000 0.714 121 K HN 0.446 nan 8.250 nan 0.000 0.438 122 S N 0.435 115.984 115.700 -0.253 0.000 2.383 122 S HA -0.125 4.345 4.470 -0.000 0.000 0.229 122 S C 2.263 176.794 174.600 -0.114 0.000 1.030 122 S CA 1.500 59.589 58.200 -0.186 0.000 1.002 122 S CB -0.913 62.112 63.200 -0.293 0.000 0.829 122 S HN 0.021 nan 8.310 nan 0.000 0.467 123 V N 3.784 123.547 119.914 -0.252 0.000 2.218 123 V HA -0.187 3.933 4.120 -0.000 0.000 0.251 123 V C -0.035 176.007 176.094 -0.085 0.000 1.057 123 V CA 2.527 64.714 62.300 -0.188 0.000 1.022 123 V CB -2.007 29.687 31.823 -0.215 0.000 0.645 123 V HN 0.374 nan 8.190 nan 0.000 0.451 124 P HA -0.156 nan 4.420 nan 0.000 0.215 124 P C -1.272 175.971 177.300 -0.096 0.000 1.163 124 P CA 2.521 65.475 63.100 -0.242 0.000 0.894 124 P CB -1.392 30.156 31.700 -0.253 0.000 0.791 125 P HA -0.213 nan 4.420 nan 0.000 0.214 125 P C 1.671 179.001 177.300 0.049 0.000 1.162 125 P CA 1.354 64.451 63.100 -0.005 0.000 0.879 125 P CB -0.571 31.137 31.700 0.012 0.000 0.786 126 F N 0.916 120.863 119.950 -0.005 0.000 2.087 126 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 126 F C 2.358 178.246 175.800 0.146 0.000 1.100 126 F CA 1.598 59.652 58.000 0.090 0.000 1.226 126 F CB -1.182 37.907 39.000 0.148 0.000 0.983 126 F HN -0.279 nan 8.300 nan 0.000 0.479 127 L N -0.479 120.980 121.223 0.395 0.000 2.017 127 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 127 L C 2.779 179.741 176.870 0.154 0.000 1.073 127 L CA 1.111 56.152 54.840 0.335 0.000 0.745 127 L CB -0.659 41.498 42.059 0.162 0.000 0.894 127 L HN 0.023 nan 8.230 nan 0.000 0.432 128 R N -0.609 119.904 120.500 0.021 0.000 2.080 128 R HA -0.148 4.192 4.340 -0.000 0.000 0.236 128 R C 2.149 178.381 176.300 -0.113 0.000 1.137 128 R CA 1.759 57.828 56.100 -0.051 0.000 0.943 128 R CB -1.350 28.906 30.300 -0.073 0.000 0.846 128 R HN 0.199 nan 8.270 nan 0.000 0.431 129 T N 0.488 114.924 114.554 -0.195 0.000 3.155 129 T HA -0.082 4.267 4.350 -0.000 0.000 0.264 129 T C 0.418 174.794 174.700 -0.539 0.000 1.160 129 T CA 0.781 62.668 62.100 -0.356 0.000 1.075 129 T CB -0.160 68.447 68.868 -0.434 0.000 0.921 129 T HN 0.248 nan 8.240 nan 0.000 0.533 130 H N -1.362 117.599 119.070 -0.181 0.000 3.230 130 H HA 0.338 4.894 4.556 -0.000 0.000 0.259 130 H C 1.558 176.638 175.328 -0.415 0.000 1.195 130 H CA 0.255 56.157 56.048 -0.245 0.000 1.112 130 H CB 0.621 30.257 29.762 -0.211 0.000 1.638 130 H HN 0.378 nan 8.280 nan 0.000 0.624 131 G N 1.177 109.855 108.800 -0.203 0.000 2.160 131 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.251 131 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.251 131 G C -0.292 174.393 174.900 -0.358 0.000 1.008 131 G CA -0.020 44.912 45.100 -0.280 0.000 0.724 131 G HN 0.146 nan 8.290 nan 0.000 0.514 132 F N 0.657 120.580 119.950 -0.044 0.000 2.404 132 F HA 0.447 4.974 4.527 -0.000 0.000 0.339 132 F C 1.122 176.912 175.800 -0.016 0.000 1.105 132 F CA -1.271 56.708 58.000 -0.036 0.000 1.087 132 F CB 1.280 40.259 39.000 -0.035 0.000 1.143 132 F HN -0.049 nan 8.300 nan 0.000 0.491 133 D N 1.747 122.283 120.400 0.227 0.000 2.340 133 D HA 0.249 4.888 4.640 -0.000 0.000 0.220 133 D C 0.870 177.270 176.300 0.166 0.000 1.039 133 D CA 0.533 54.616 54.000 0.139 0.000 0.866 133 D CB 0.468 41.326 40.800 0.096 0.000 0.913 133 D HN 0.695 nan 8.370 nan 0.000 0.523 134 G N 0.082 109.002 108.800 0.200 0.000 2.313 134 G HA2 0.320 4.280 3.960 -0.000 0.000 0.296 134 G HA3 0.320 4.280 3.960 -0.000 0.000 0.296 134 G C -2.232 172.795 174.900 0.211 0.000 1.356 134 G CA -0.886 44.352 45.100 0.230 0.000 0.833 134 G HN 0.063 nan 8.290 nan 0.000 0.552 135 L N 0.175 121.574 121.223 0.292 0.000 2.334 135 L HA 0.860 5.200 4.340 -0.000 0.000 0.276 135 L C -1.147 175.795 176.870 0.119 0.000 1.014 135 L CA -0.637 54.329 54.840 0.209 0.000 0.815 135 L CB 2.134 44.388 42.059 0.325 0.000 1.268 135 L HN 0.615 nan 8.230 nan 0.000 0.428 136 D N 3.665 124.151 120.400 0.144 0.000 2.471 136 D HA 0.336 4.976 4.640 -0.000 0.000 0.245 136 D C -1.193 175.259 176.300 0.254 0.000 1.116 136 D CA -0.121 53.979 54.000 0.167 0.000 0.853 136 D CB 0.866 41.807 40.800 0.235 0.000 1.123 136 D HN 0.523 nan 8.370 nan 0.000 0.540 137 L N 3.259 124.605 121.223 0.205 0.000 2.283 137 L HA 0.523 4.863 4.340 -0.000 0.000 0.287 137 L C 0.294 177.336 176.870 0.287 0.000 1.073 137 L CA -0.524 54.477 54.840 0.268 0.000 0.822 137 L CB 1.132 43.312 42.059 0.203 0.000 1.186 137 L HN 0.582 nan 8.230 nan 0.000 0.436 138 A N 4.777 127.772 122.820 0.292 0.000 3.215 138 A HA 0.159 4.479 4.320 -0.000 0.000 0.320 138 A C -0.783 176.820 177.584 0.032 0.000 1.084 138 A CA -0.481 51.700 52.037 0.239 0.000 0.969 138 A CB -0.086 19.161 19.000 0.412 0.000 1.064 138 A HN 0.695 nan 8.150 nan 0.000 0.513 139 W N 2.276 123.388 121.300 -0.314 0.000 2.311 139 W HA 0.555 5.215 4.660 -0.000 0.000 0.310 139 W C -1.348 174.975 176.519 -0.326 0.000 1.274 139 W CA -0.842 56.091 57.345 -0.686 0.000 1.215 139 W CB 0.430 29.384 29.460 -0.843 0.000 1.227 139 W HN 0.336 nan 8.180 nan 0.000 0.523 140 L N 9.278 130.560 121.223 0.098 0.000 2.454 140 L HA 0.318 4.658 4.340 -0.000 0.000 0.258 140 L C -1.228 175.388 176.870 -0.424 0.000 1.025 140 L CA -0.679 53.910 54.840 -0.418 0.000 0.901 140 L CB 0.125 41.871 42.059 -0.521 0.000 1.210 140 L HN 0.256 nan 8.230 nan 0.000 0.457 141 Y N 1.183 121.478 120.300 -0.010 0.000 2.638 141 Y HA 0.566 5.116 4.550 -0.000 0.000 0.339 141 Y C -2.499 172.994 175.900 -0.678 0.000 1.084 141 Y CA -3.000 54.891 58.100 -0.348 0.000 1.068 141 Y CB 1.244 39.527 38.460 -0.295 0.000 1.294 141 Y HN 0.247 nan 8.280 nan 0.000 0.480 142 P HA 0.160 nan 4.420 nan 0.000 0.276 142 P C 0.160 177.151 177.300 -0.515 0.000 1.253 142 P CA 0.048 62.469 63.100 -1.132 0.000 0.766 142 P CB 0.487 31.301 31.700 -1.476 0.000 0.845 143 G N 2.933 111.588 108.800 -0.241 0.000 2.750 143 G HA2 -0.106 3.853 3.960 -0.000 0.000 0.250 143 G HA3 -0.106 3.853 3.960 -0.000 0.000 0.250 143 G C 1.007 175.773 174.900 -0.223 0.000 1.230 143 G CA -0.392 44.609 45.100 -0.164 0.000 0.883 143 G HN 0.477 nan 8.290 nan 0.000 0.573 144 R N -0.204 120.188 120.500 -0.180 0.000 2.241 144 R HA -0.085 4.255 4.340 -0.000 0.000 0.224 144 R C 2.475 178.679 176.300 -0.160 0.000 1.101 144 R CA 1.319 57.312 56.100 -0.179 0.000 0.995 144 R CB -0.122 30.098 30.300 -0.133 0.000 0.870 144 R HN 0.682 nan 8.270 nan 0.000 0.463 145 R N -1.068 119.347 120.500 -0.142 0.000 2.299 145 R HA 0.045 4.385 4.340 -0.000 0.000 0.197 145 R C 0.123 176.280 176.300 -0.238 0.000 0.971 145 R CA 0.819 56.829 56.100 -0.150 0.000 1.030 145 R CB 0.234 30.482 30.300 -0.087 0.000 0.932 145 R HN 0.134 nan 8.270 nan 0.000 0.477 146 D N 0.820 121.100 120.400 -0.200 0.000 2.469 146 D HA 0.021 4.660 4.640 -0.000 0.000 0.215 146 D C 1.005 177.240 176.300 -0.109 0.000 1.154 146 D CA 0.021 53.934 54.000 -0.145 0.000 0.832 146 D CB 0.556 41.377 40.800 0.036 0.000 1.008 146 D HN 0.220 nan 8.370 nan 0.000 0.506 147 K N 1.099 121.404 120.400 -0.158 0.000 2.032 147 K HA -0.241 4.079 4.320 -0.000 0.000 0.209 147 K C 1.973 178.617 176.600 0.074 0.000 1.048 147 K CA 1.383 57.627 56.287 -0.073 0.000 0.927 147 K CB 0.289 32.723 32.500 -0.110 0.000 0.712 147 K HN -0.122 nan 8.250 nan 0.000 0.441 148 Q N 0.176 119.997 119.800 0.036 0.000 2.079 148 Q HA -0.148 4.191 4.340 -0.000 0.000 0.200 148 Q C 1.637 177.789 176.000 0.254 0.000 0.974 148 Q CA 1.855 57.728 55.803 0.118 0.000 0.840 148 Q CB -0.190 28.602 28.738 0.089 0.000 0.898 148 Q HN 0.585 nan 8.270 nan 0.000 0.430 149 H N -1.335 117.826 119.070 0.151 0.000 2.267 149 H HA -0.158 4.397 4.556 -0.000 0.000 0.297 149 H C 1.753 177.239 175.328 0.263 0.000 1.080 149 H CA 1.002 57.172 56.048 0.203 0.000 1.278 149 H CB -0.308 29.610 29.762 0.260 0.000 1.365 149 H HN 0.305 nan 8.280 nan 0.000 0.489 150 F N 1.856 121.969 119.950 0.271 0.000 2.111 150 F HA -0.313 4.213 4.527 -0.000 0.000 0.300 150 F C 2.444 178.342 175.800 0.164 0.000 1.088 150 F CA 1.948 60.070 58.000 0.202 0.000 1.243 150 F CB -0.687 38.292 39.000 -0.034 0.000 0.996 150 F HN 0.010 nan 8.300 nan 0.000 0.483 151 T N -0.326 114.354 114.554 0.209 0.000 2.652 151 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 151 T C 1.849 176.575 174.700 0.044 0.000 1.039 151 T CA 2.415 64.574 62.100 0.099 0.000 1.153 151 T CB -0.729 68.222 68.868 0.137 0.000 0.863 151 T HN 0.384 nan 8.240 nan 0.000 0.428 152 T N 2.906 117.512 114.554 0.088 0.000 2.622 152 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 152 T C 1.905 176.607 174.700 0.004 0.000 1.047 152 T CA 1.256 63.385 62.100 0.049 0.000 1.159 152 T CB -0.827 68.086 68.868 0.074 0.000 0.863 152 T HN 0.169 nan 8.240 nan 0.000 0.422 153 L N 0.815 122.066 121.223 0.046 0.000 2.151 153 L HA -0.124 4.216 4.340 -0.000 0.000 0.215 153 L C 2.055 178.886 176.870 -0.065 0.000 1.084 153 L CA 1.618 56.484 54.840 0.044 0.000 0.764 153 L CB -0.599 41.553 42.059 0.155 0.000 0.891 153 L HN 0.353 nan 8.230 nan 0.000 0.435 154 I N -1.487 118.980 120.570 -0.171 0.000 2.703 154 I HA -0.166 4.004 4.170 -0.000 0.000 0.259 154 I C 2.429 178.425 176.117 -0.202 0.000 1.151 154 I CA 0.691 61.861 61.300 -0.217 0.000 1.470 154 I CB -0.311 37.514 38.000 -0.290 0.000 1.112 154 I HN 0.290 nan 8.210 nan 0.000 0.437 155 K N 1.797 122.087 120.400 -0.183 0.000 1.978 155 K HA -0.227 4.093 4.320 -0.000 0.000 0.214 155 K C 1.877 178.258 176.600 -0.365 0.000 1.049 155 K CA 1.933 57.955 56.287 -0.442 0.000 0.939 155 K CB -0.085 32.288 32.500 -0.211 0.000 0.721 155 K HN 0.263 nan 8.250 nan 0.000 0.441 156 E N 0.379 120.467 120.200 -0.186 0.000 2.038 156 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 156 E C 2.044 178.578 176.600 -0.109 0.000 1.000 156 E CA 1.752 58.083 56.400 -0.116 0.000 0.803 156 E CB -0.240 29.431 29.700 -0.048 0.000 0.750 156 E HN 0.302 nan 8.360 nan 0.000 0.448 157 M N 1.470 120.996 119.600 -0.122 0.000 2.195 157 M HA -0.218 4.261 4.480 -0.000 0.000 0.260 157 M C 1.994 178.121 176.300 -0.288 0.000 1.066 157 M CA 1.690 56.899 55.300 -0.152 0.000 1.089 157 M CB 0.012 32.498 32.600 -0.191 0.000 1.377 157 M HN -0.148 nan 8.290 nan 0.000 0.411 158 K N -0.116 120.090 120.400 -0.323 0.000 2.116 158 K HA 0.132 4.452 4.320 -0.000 0.000 0.203 158 K C 1.807 178.350 176.600 -0.095 0.000 1.052 158 K CA 1.446 57.560 56.287 -0.288 0.000 0.952 158 K CB -0.550 31.799 32.500 -0.251 0.000 0.729 158 K HN 0.346 nan 8.250 nan 0.000 0.446 159 A N 0.871 123.619 122.820 -0.119 0.000 1.883 159 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 159 A C 2.148 179.748 177.584 0.027 0.000 1.186 159 A CA 2.142 54.147 52.037 -0.054 0.000 0.624 159 A CB -0.821 18.134 19.000 -0.075 0.000 0.822 159 A HN 0.556 nan 8.150 nan 0.000 0.444 160 E N -0.704 119.532 120.200 0.060 0.000 2.038 160 E HA -0.184 4.165 4.350 -0.000 0.000 0.195 160 E C 1.536 178.257 176.600 0.202 0.000 1.000 160 E CA 1.499 57.970 56.400 0.119 0.000 0.803 160 E CB -0.516 29.269 29.700 0.142 0.000 0.750 160 E HN 0.474 nan 8.360 nan 0.000 0.448 161 F N 0.402 120.327 119.950 -0.041 0.000 2.271 161 F HA -0.157 4.370 4.527 -0.000 0.000 0.302 161 F C 1.984 177.775 175.800 -0.015 0.000 1.063 161 F CA 0.935 58.919 58.000 -0.026 0.000 1.362 161 F CB -0.318 38.669 39.000 -0.021 0.000 1.060 161 F HN 0.165 nan 8.300 nan 0.000 0.521 162 I N -0.788 119.880 120.570 0.163 0.000 2.429 162 I HA -0.195 3.975 4.170 -0.000 0.000 0.247 162 I C 2.380 178.525 176.117 0.047 0.000 1.099 162 I CA 0.646 61.997 61.300 0.086 0.000 1.422 162 I CB -0.432 37.605 38.000 0.061 0.000 1.112 162 I HN -0.082 nan 8.210 nan 0.000 0.430 163 K N 1.107 121.532 120.400 0.042 0.000 2.286 163 K HA -0.250 4.070 4.320 -0.000 0.000 0.203 163 K C 2.039 178.641 176.600 0.004 0.000 1.045 163 K CA 1.468 57.767 56.287 0.020 0.000 0.935 163 K CB 0.059 32.570 32.500 0.018 0.000 0.737 163 K HN 0.288 nan 8.250 nan 0.000 0.460 164 E N -0.409 119.788 120.200 -0.005 0.000 2.166 164 E HA -0.024 4.325 4.350 -0.000 0.000 0.192 164 E C 1.456 178.037 176.600 -0.031 0.000 0.967 164 E CA 0.664 57.044 56.400 -0.035 0.000 0.840 164 E CB 0.104 29.753 29.700 -0.085 0.000 0.795 164 E HN 0.365 nan 8.360 nan 0.000 0.470 165 A N 1.619 124.429 122.820 -0.017 0.000 2.167 165 A HA -0.125 4.195 4.320 -0.000 0.000 0.214 165 A C 2.013 179.598 177.584 0.000 0.000 1.151 165 A CA 0.774 52.805 52.037 -0.009 0.000 0.735 165 A CB -0.444 18.561 19.000 0.008 0.000 0.802 165 A HN 0.412 nan 8.150 nan 0.000 0.467 166 Q N -0.133 119.669 119.800 0.004 0.000 2.234 166 Q HA -0.131 4.209 4.340 -0.000 0.000 0.206 166 Q C -0.956 175.044 176.000 -0.000 0.000 0.980 166 Q CA 1.433 57.240 55.803 0.005 0.000 0.869 166 Q CB -1.757 26.985 28.738 0.006 0.000 0.912 166 Q HN 0.417 nan 8.270 nan 0.000 0.436 167 P HA 0.026 nan 4.420 nan 0.000 0.236 167 P C 0.365 177.660 177.300 -0.008 0.000 1.172 167 P CA 1.538 64.633 63.100 -0.008 0.000 0.759 167 P CB -0.035 31.657 31.700 -0.014 0.000 0.843 168 G N -1.748 107.049 108.800 -0.005 0.000 2.175 168 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.182 168 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.182 168 G C 0.241 175.137 174.900 -0.007 0.000 1.003 168 G CA -0.466 44.631 45.100 -0.004 0.000 0.666 168 G HN 0.294 nan 8.290 nan 0.000 0.506 169 K N -0.158 120.236 120.400 -0.010 0.000 2.273 169 K HA 0.543 4.863 4.320 -0.000 0.000 0.240 169 K C 0.280 176.877 176.600 -0.005 0.000 1.056 169 K CA -0.393 55.886 56.287 -0.014 0.000 0.910 169 K CB 0.393 32.878 32.500 -0.026 0.000 1.196 169 K HN -0.098 nan 8.250 nan 0.000 0.509 170 K N 2.453 122.850 120.400 -0.006 0.000 2.264 170 K HA 0.067 4.387 4.320 -0.000 0.000 0.277 170 K C -0.662 175.946 176.600 0.013 0.000 1.067 170 K CA -0.040 56.251 56.287 0.007 0.000 0.900 170 K CB 1.036 33.539 32.500 0.005 0.000 1.124 170 K HN 0.496 nan 8.250 nan 0.000 0.469 171 Q N 3.293 123.113 119.800 0.032 0.000 2.310 171 Q HA -0.043 4.297 4.340 -0.000 0.000 0.315 171 Q C -0.441 175.606 176.000 0.078 0.000 1.081 171 Q CA 0.244 56.079 55.803 0.053 0.000 0.981 171 Q CB 0.498 29.287 28.738 0.086 0.000 1.184 171 Q HN 0.483 nan 8.270 nan 0.000 0.389 172 L N 4.817 126.076 121.223 0.060 0.000 2.410 172 L HA 0.142 4.482 4.340 -0.000 0.000 0.273 172 L C -0.088 177.005 176.870 0.372 0.000 1.152 172 L CA -0.242 54.656 54.840 0.096 0.000 0.855 172 L CB 0.375 42.248 42.059 -0.310 0.000 1.129 172 L HN 0.595 nan 8.230 nan 0.000 0.463 173 L N 4.361 125.762 121.223 0.296 0.000 2.380 173 L HA 0.210 4.550 4.340 -0.000 0.000 0.273 173 L C -0.316 176.683 176.870 0.216 0.000 1.138 173 L CA -0.191 54.800 54.840 0.253 0.000 0.832 173 L CB 0.933 43.147 42.059 0.258 0.000 1.124 173 L HN 0.396 nan 8.230 nan 0.000 0.454 174 L N 3.948 125.166 121.223 -0.009 0.000 2.343 174 L HA 0.543 4.883 4.340 -0.000 0.000 0.278 174 L C -0.134 176.542 176.870 -0.323 0.000 0.996 174 L CA 0.231 54.950 54.840 -0.202 0.000 0.831 174 L CB 1.561 43.348 42.059 -0.453 0.000 1.232 174 L HN 0.711 nan 8.230 nan 0.000 0.413 175 S N 3.639 119.123 115.700 -0.359 0.000 2.704 175 S HA 1.036 5.506 4.470 -0.000 0.000 0.296 175 S C -0.815 173.664 174.600 -0.201 0.000 1.138 175 S CA -0.251 57.623 58.200 -0.544 0.000 0.875 175 S CB 1.911 64.377 63.200 -1.222 0.000 1.151 175 S HN 1.139 nan 8.310 nan 0.000 0.500 176 A N 0.045 122.794 122.820 -0.119 0.000 2.486 176 A HA 0.865 5.185 4.320 -0.000 0.000 0.300 176 A C -0.530 177.130 177.584 0.127 0.000 1.048 176 A CA -0.496 51.577 52.037 0.061 0.000 0.696 176 A CB 1.312 20.357 19.000 0.075 0.000 1.278 176 A HN 1.817 nan 8.150 nan 0.000 0.405 177 A N 2.753 125.698 122.820 0.209 0.000 2.478 177 A HA 0.619 4.939 4.320 -0.000 0.000 0.327 177 A C -0.231 177.419 177.584 0.110 0.000 1.431 177 A CA -0.222 51.946 52.037 0.219 0.000 1.014 177 A CB -0.547 18.642 19.000 0.316 0.000 1.143 177 A HN 0.764 nan 8.150 nan 0.000 0.532 178 L N 1.420 122.633 121.223 -0.018 0.000 2.399 178 L HA 0.464 4.804 4.340 -0.000 0.000 0.265 178 L C 1.133 177.976 176.870 -0.044 0.000 1.089 178 L CA -0.636 54.104 54.840 -0.167 0.000 0.802 178 L CB 1.484 43.206 42.059 -0.562 0.000 1.180 178 L HN 0.629 nan 8.230 nan 0.000 0.454 179 S N 0.243 115.959 115.700 0.027 0.000 2.584 179 S HA 0.328 4.798 4.470 -0.000 0.000 0.270 179 S C 0.685 175.220 174.600 -0.109 0.000 1.346 179 S CA 0.195 58.292 58.200 -0.171 0.000 1.018 179 S CB 1.254 64.078 63.200 -0.627 0.000 0.899 179 S HN 0.707 nan 8.310 nan 0.000 0.542 180 A N 3.087 125.794 122.820 -0.188 0.000 2.390 180 A HA 0.468 4.788 4.320 -0.000 0.000 0.232 180 A C 0.960 178.591 177.584 0.078 0.000 1.233 180 A CA 0.269 52.271 52.037 -0.058 0.000 0.907 180 A CB -0.356 18.564 19.000 -0.133 0.000 0.967 180 A HN 0.915 nan 8.150 nan 0.000 0.512 181 G N -0.101 108.679 108.800 -0.032 0.000 2.355 181 G HA2 0.340 4.300 3.960 -0.000 0.000 0.276 181 G HA3 0.340 4.300 3.960 -0.000 0.000 0.276 181 G C 0.664 175.560 174.900 -0.006 0.000 1.198 181 G CA -0.074 45.068 45.100 0.070 0.000 0.876 181 G HN 0.338 nan 8.290 nan 0.000 0.478 182 K N 2.178 122.543 120.400 -0.058 0.000 2.015 182 K HA -0.203 4.117 4.320 -0.000 0.000 0.220 182 K C 2.461 178.933 176.600 -0.213 0.000 1.055 182 K CA 2.023 58.153 56.287 -0.262 0.000 0.951 182 K CB -0.354 31.630 32.500 -0.860 0.000 0.725 182 K HN 0.326 nan 8.250 nan 0.000 0.449 183 V N 1.045 120.809 119.914 -0.250 0.000 2.223 183 V HA -0.397 3.723 4.120 -0.000 0.000 0.253 183 V C 2.370 178.353 176.094 -0.184 0.000 1.061 183 V CA 2.670 64.861 62.300 -0.182 0.000 1.035 183 V CB -0.938 30.811 31.823 -0.123 0.000 0.653 183 V HN 0.613 nan 8.190 nan 0.000 0.454 184 T N 0.210 114.627 114.554 -0.228 0.000 2.597 184 T HA -0.248 4.102 4.350 -0.000 0.000 0.267 184 T C 1.731 176.169 174.700 -0.437 0.000 1.053 184 T CA 2.296 64.171 62.100 -0.375 0.000 1.165 184 T CB -0.481 68.064 68.868 -0.538 0.000 0.863 184 T HN 0.386 nan 8.240 nan 0.000 0.427 185 I N 1.204 121.635 120.570 -0.232 0.000 2.229 185 I HA -0.274 3.896 4.170 -0.000 0.000 0.250 185 I C 2.371 178.432 176.117 -0.094 0.000 1.096 185 I CA 1.428 62.714 61.300 -0.024 0.000 1.358 185 I CB -0.445 37.674 38.000 0.199 0.000 1.047 185 I HN 0.239 nan 8.210 nan 0.000 0.422 186 D N 0.211 120.566 120.400 -0.076 0.000 2.110 186 D HA -0.091 4.549 4.640 -0.000 0.000 0.202 186 D C 2.114 178.316 176.300 -0.163 0.000 0.975 186 D CA 1.748 55.709 54.000 -0.064 0.000 0.839 186 D CB -0.106 40.689 40.800 -0.008 0.000 0.996 186 D HN 0.312 nan 8.370 nan 0.000 0.464 187 S N -0.794 114.772 115.700 -0.224 0.000 2.803 187 S HA 0.151 4.621 4.470 -0.000 0.000 0.228 187 S C 1.036 175.416 174.600 -0.368 0.000 0.953 187 S CA 0.058 58.113 58.200 -0.241 0.000 0.983 187 S CB 0.202 63.281 63.200 -0.201 0.000 0.784 187 S HN -0.052 nan 8.310 nan 0.000 0.498 188 S N -1.082 114.300 115.700 -0.531 0.000 2.456 188 S HA 0.320 4.789 4.470 -0.000 0.000 0.282 188 S C -0.938 173.231 174.600 -0.720 0.000 1.057 188 S CA -0.392 57.335 58.200 -0.789 0.000 1.321 188 S CB 0.246 62.690 63.200 -1.260 0.000 1.117 188 S HN 0.568 nan 8.310 nan 0.000 0.584 189 Y N 1.848 122.014 120.300 -0.224 0.000 2.446 189 Y HA 0.615 5.165 4.550 -0.000 0.000 0.345 189 Y C -0.408 175.457 175.900 -0.059 0.000 0.984 189 Y CA -2.083 55.938 58.100 -0.131 0.000 1.058 189 Y CB 0.701 39.085 38.460 -0.127 0.000 1.220 189 Y HN -0.044 nan 8.280 nan 0.000 0.455 190 D N 3.690 124.199 120.400 0.181 0.000 2.590 190 D HA 0.180 4.820 4.640 -0.000 0.000 0.280 190 D C 0.946 177.290 176.300 0.074 0.000 1.197 190 D CA 0.011 54.063 54.000 0.087 0.000 0.967 190 D CB 0.325 41.173 40.800 0.079 0.000 0.987 190 D HN 0.483 nan 8.370 nan 0.000 0.508 191 I N 1.632 122.231 120.570 0.048 0.000 2.113 191 I HA -0.335 3.835 4.170 -0.000 0.000 0.242 191 I C 2.479 178.576 176.117 -0.033 0.000 1.064 191 I CA 1.232 62.529 61.300 -0.005 0.000 1.320 191 I CB -1.303 36.668 38.000 -0.048 0.000 1.028 191 I HN 0.312 nan 8.210 nan 0.000 0.406 192 A N 0.616 123.411 122.820 -0.042 0.000 1.927 192 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 192 A C 2.417 179.964 177.584 -0.061 0.000 1.185 192 A CA 2.111 54.117 52.037 -0.052 0.000 0.639 192 A CB -0.521 18.451 19.000 -0.046 0.000 0.820 192 A HN 0.426 nan 8.150 nan 0.000 0.451 193 K N -0.498 119.877 120.400 -0.042 0.000 1.995 193 K HA 0.006 4.326 4.320 -0.000 0.000 0.207 193 K C 2.037 178.567 176.600 -0.117 0.000 1.041 193 K CA 1.365 57.615 56.287 -0.061 0.000 0.942 193 K CB -0.474 32.027 32.500 0.003 0.000 0.731 193 K HN 0.711 nan 8.250 nan 0.000 0.439 194 I N -0.826 119.721 120.570 -0.039 0.000 2.423 194 I HA -0.223 3.947 4.170 -0.000 0.000 0.254 194 I C 1.751 177.802 176.117 -0.110 0.000 1.151 194 I CA 1.390 62.661 61.300 -0.047 0.000 1.421 194 I CB -0.382 37.623 38.000 0.009 0.000 1.079 194 I HN -0.073 nan 8.210 nan 0.000 0.431 195 S N 0.931 116.572 115.700 -0.099 0.000 2.440 195 S HA -0.214 4.256 4.470 -0.000 0.000 0.240 195 S C 1.918 176.440 174.600 -0.130 0.000 1.014 195 S CA 1.718 59.862 58.200 -0.093 0.000 0.980 195 S CB -0.333 62.822 63.200 -0.074 0.000 0.775 195 S HN 0.664 nan 8.310 nan 0.000 0.499 196 Q N -0.134 119.522 119.800 -0.240 0.000 2.049 196 Q HA -0.065 4.275 4.340 -0.000 0.000 0.198 196 Q C 1.681 177.517 176.000 -0.274 0.000 0.971 196 Q CA 1.054 56.670 55.803 -0.312 0.000 0.833 196 Q CB -0.236 28.201 28.738 -0.500 0.000 0.896 196 Q HN 0.648 nan 8.270 nan 0.000 0.434 197 H N -0.137 118.897 119.070 -0.060 0.000 2.535 197 H HA 0.152 4.708 4.556 -0.000 0.000 0.273 197 H C 0.552 175.811 175.328 -0.115 0.000 0.983 197 H CA 0.339 56.336 56.048 -0.086 0.000 1.238 197 H CB 0.059 29.756 29.762 -0.108 0.000 1.412 197 H HN 0.125 nan 8.280 nan 0.000 0.562 198 L N 1.967 123.166 121.223 -0.040 0.000 2.331 198 L HA 0.034 4.374 4.340 -0.000 0.000 0.278 198 L C 1.088 177.915 176.870 -0.073 0.000 1.106 198 L CA -0.311 54.469 54.840 -0.101 0.000 0.824 198 L CB 0.997 42.985 42.059 -0.118 0.000 1.142 198 L HN -0.015 nan 8.230 nan 0.000 0.443 199 D N 2.645 122.980 120.400 -0.108 0.000 2.269 199 D HA 0.006 4.646 4.640 -0.000 0.000 0.208 199 D C -0.211 176.179 176.300 0.150 0.000 0.963 199 D CA 1.169 55.179 54.000 0.017 0.000 0.864 199 D CB 0.206 41.043 40.800 0.063 0.000 0.936 199 D HN 0.349 nan 8.370 nan 0.000 0.505 200 F N -1.336 118.616 119.950 0.002 0.000 2.765 200 F HA 0.407 4.934 4.527 -0.000 0.000 0.313 200 F C -2.077 173.724 175.800 0.001 0.000 1.136 200 F CA -1.466 56.529 58.000 -0.008 0.000 0.952 200 F CB 0.421 39.402 39.000 -0.033 0.000 1.268 200 F HN -0.351 nan 8.300 nan 0.000 0.441 201 I N 1.947 122.696 120.570 0.298 0.000 2.603 201 I HA 0.582 4.752 4.170 -0.000 0.000 0.300 201 I C -0.627 175.651 176.117 0.268 0.000 1.017 201 I CA -1.051 60.356 61.300 0.179 0.000 1.098 201 I CB 2.359 40.390 38.000 0.051 0.000 1.279 201 I HN 0.659 nan 8.210 nan 0.000 0.437 202 S N 5.963 121.806 115.700 0.238 0.000 2.594 202 S HA 0.442 4.912 4.470 -0.000 0.000 0.322 202 S C -0.337 174.344 174.600 0.134 0.000 1.085 202 S CA -0.408 57.938 58.200 0.244 0.000 1.116 202 S CB 0.919 64.348 63.200 0.380 0.000 0.979 202 S HN 0.476 nan 8.310 nan 0.000 0.465 203 I N 4.504 125.125 120.570 0.084 0.000 2.322 203 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 203 I C 0.058 176.140 176.117 -0.059 0.000 1.060 203 I CA -0.690 60.614 61.300 0.007 0.000 1.309 203 I CB 0.350 38.362 38.000 0.021 0.000 1.415 203 I HN 0.632 nan 8.210 nan 0.000 0.492 204 M N 7.437 126.916 119.600 -0.202 0.000 3.282 204 M HA 0.046 4.526 4.480 -0.000 0.000 0.242 204 M C 0.504 176.274 176.300 -0.883 0.000 1.568 204 M CA 0.087 55.000 55.300 -0.644 0.000 1.668 204 M CB -1.062 31.163 32.600 -0.625 0.000 1.236 204 M HN 0.554 nan 8.290 nan 0.000 0.527 205 T N 0.599 114.863 114.554 -0.484 0.000 4.104 205 T HA 0.386 4.736 4.350 -0.000 0.000 0.285 205 T C -0.587 174.057 174.700 -0.093 0.000 1.346 205 T CA -0.377 61.599 62.100 -0.207 0.000 1.158 205 T CB -0.953 67.980 68.868 0.108 0.000 1.290 205 T HN 0.571 nan 8.240 nan 0.000 0.975 206 Y N -2.456 117.663 120.300 -0.301 0.000 2.779 206 Y HA 0.507 5.057 4.550 -0.000 0.000 0.340 206 Y C -0.613 175.127 175.900 -0.266 0.000 1.252 206 Y CA -1.791 56.181 58.100 -0.215 0.000 1.072 206 Y CB 0.112 38.533 38.460 -0.065 0.000 1.343 206 Y HN 0.227 nan 8.280 nan 0.000 0.450 207 D N 0.293 120.903 120.400 0.350 0.000 2.739 207 D HA -0.179 4.461 4.640 -0.000 0.000 0.240 207 D C -0.326 176.013 176.300 0.066 0.000 1.114 207 D CA 0.914 55.058 54.000 0.240 0.000 0.695 207 D CB -1.212 39.663 40.800 0.125 0.000 1.078 207 D HN 0.581 nan 8.370 nan 0.000 0.434 208 F N -0.548 119.527 119.950 0.209 0.000 2.714 208 F HA 0.111 4.638 4.527 -0.000 0.000 0.294 208 F C 1.237 177.153 175.800 0.194 0.000 1.120 208 F CA 0.280 58.376 58.000 0.159 0.000 1.398 208 F CB 0.394 39.464 39.000 0.118 0.000 1.120 208 F HN 0.085 nan 8.300 nan 0.000 0.589 209 H N -0.453 118.784 119.070 0.278 0.000 2.991 209 H HA 0.524 5.080 4.556 -0.000 0.000 0.304 209 H C 0.234 175.625 175.328 0.104 0.000 1.040 209 H CA -0.677 55.431 56.048 0.101 0.000 1.410 209 H CB 0.509 30.317 29.762 0.076 0.000 1.529 209 H HN 0.109 nan 8.280 nan 0.000 0.509 210 G N 1.621 110.332 108.800 -0.148 0.000 2.507 210 G HA2 0.391 4.351 3.960 -0.000 0.000 0.271 210 G HA3 0.391 4.351 3.960 -0.000 0.000 0.271 210 G C 0.901 175.692 174.900 -0.181 0.000 1.189 210 G CA -0.106 44.970 45.100 -0.039 0.000 0.859 210 G HN 0.777 nan 8.290 nan 0.000 0.542 211 A N 0.802 123.702 122.820 0.133 0.000 2.125 211 A HA -0.035 4.284 4.320 -0.000 0.000 0.219 211 A C 1.880 179.459 177.584 -0.009 0.000 1.156 211 A CA 1.589 53.706 52.037 0.134 0.000 0.671 211 A CB -0.615 18.541 19.000 0.261 0.000 0.794 211 A HN 0.927 nan 8.150 nan 0.000 0.459 212 W N 0.049 121.336 121.300 -0.022 0.000 2.436 212 W HA -0.070 4.590 4.660 -0.000 0.000 0.284 212 W C 1.477 177.933 176.519 -0.106 0.000 1.225 212 W CA 0.672 57.988 57.345 -0.049 0.000 1.271 212 W CB -0.722 28.719 29.460 -0.032 0.000 1.114 212 W HN 0.245 nan 8.180 nan 0.000 0.559 213 R N 1.127 120.980 120.500 -1.078 0.000 2.211 213 R HA -0.083 4.256 4.340 -0.000 0.000 0.240 213 R C 2.135 178.147 176.300 -0.482 0.000 1.144 213 R CA 1.793 57.253 56.100 -1.067 0.000 0.992 213 R CB -0.857 28.618 30.300 -1.374 0.000 0.869 213 R HN 0.499 nan 8.270 nan 0.000 0.462 214 G N 0.410 108.993 108.800 -0.362 0.000 2.176 214 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.253 214 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.253 214 G C 0.247 174.973 174.900 -0.291 0.000 0.979 214 G CA 0.646 45.604 45.100 -0.236 0.000 0.641 214 G HN 0.518 nan 8.290 nan 0.000 0.530 215 T N -2.069 112.250 114.554 -0.391 0.000 2.883 215 T HA 0.706 5.056 4.350 -0.000 0.000 0.296 215 T C 0.020 174.335 174.700 -0.641 0.000 1.117 215 T CA 0.350 62.203 62.100 -0.412 0.000 1.006 215 T CB 1.697 70.398 68.868 -0.278 0.000 1.191 215 T HN 1.189 nan 8.240 nan 0.000 0.508 216 T N -0.745 113.285 114.554 -0.873 0.000 2.919 216 T HA 0.613 4.962 4.350 -0.000 0.000 0.302 216 T C 0.477 174.515 174.700 -1.102 0.000 1.031 216 T CA -0.337 60.928 62.100 -1.390 0.000 1.127 216 T CB 0.500 68.146 68.868 -2.038 0.000 0.952 216 T HN 1.368 nan 8.240 nan 0.000 0.540 217 G N 0.962 109.193 108.800 -0.949 0.000 2.768 217 G HA2 0.356 4.316 3.960 -0.000 0.000 0.297 217 G HA3 0.356 4.316 3.960 -0.000 0.000 0.297 217 G C -1.343 173.546 174.900 -0.018 0.000 1.430 217 G CA -0.836 43.750 45.100 -0.858 0.000 1.030 217 G HN 0.951 nan 8.290 nan 0.000 0.553 218 H N 1.105 120.220 119.070 0.074 0.000 2.848 218 H HA 0.062 4.618 4.556 -0.000 0.000 0.317 218 H C 1.536 177.008 175.328 0.240 0.000 1.046 218 H CA 0.667 56.877 56.048 0.271 0.000 1.470 218 H CB 0.983 30.845 29.762 0.166 0.000 1.483 218 H HN 0.854 nan 8.280 nan 0.000 0.548 219 H N 1.631 120.727 119.070 0.044 0.000 2.546 219 H HA 0.070 4.626 4.556 -0.000 0.000 0.277 219 H C 0.249 175.809 175.328 0.387 0.000 1.004 219 H CA 0.561 56.741 56.048 0.220 0.000 1.231 219 H CB 0.541 30.363 29.762 0.100 0.000 1.382 219 H HN 0.254 nan 8.280 nan 0.000 0.580 220 S N 1.795 117.439 115.700 -0.093 0.000 2.359 220 S HA 0.264 4.734 4.470 -0.000 0.000 0.148 220 S C -2.984 171.715 174.600 0.164 0.000 1.610 220 S CA -1.251 56.977 58.200 0.047 0.000 1.274 220 S CB 0.370 63.358 63.200 -0.353 0.000 1.380 220 S HN 0.264 nan 8.310 nan 0.000 0.380 221 P HA 0.246 nan 4.420 nan 0.000 0.286 221 P C 0.799 177.936 177.300 -0.272 0.000 1.261 221 P CA -0.684 62.286 63.100 -0.217 0.000 0.821 221 P CB 1.409 33.006 31.700 -0.172 0.000 1.013 222 L N 2.428 123.443 121.223 -0.346 0.000 2.072 222 L HA 0.201 4.541 4.340 -0.000 0.000 0.205 222 L C 0.189 176.519 176.870 -0.900 0.000 1.079 222 L CA 1.810 56.287 54.840 -0.605 0.000 0.752 222 L CB -0.806 40.910 42.059 -0.572 0.000 0.906 222 L HN 0.237 nan 8.230 nan 0.000 0.436 223 F N -2.019 117.801 119.950 -0.217 0.000 2.654 223 F HA 0.423 4.950 4.527 -0.000 0.000 0.334 223 F C 1.600 177.307 175.800 -0.155 0.000 1.078 223 F CA -0.702 57.199 58.000 -0.165 0.000 0.986 223 F CB 0.801 39.730 39.000 -0.119 0.000 1.362 223 F HN -0.313 nan 8.300 nan 0.000 0.498 224 R N 0.777 121.343 120.500 0.109 0.000 2.081 224 R HA 0.210 4.550 4.340 -0.000 0.000 0.235 224 R C 0.812 177.094 176.300 -0.030 0.000 1.131 224 R CA 1.438 57.525 56.100 -0.022 0.000 0.960 224 R CB -0.518 29.760 30.300 -0.038 0.000 0.856 224 R HN 1.011 nan 8.270 nan 0.000 0.436 225 G N 0.108 108.913 108.800 0.008 0.000 2.632 225 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.224 225 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.224 225 G C -1.022 173.854 174.900 -0.040 0.000 1.341 225 G CA 0.062 45.152 45.100 -0.017 0.000 0.880 225 G HN 0.551 nan 8.290 nan 0.000 0.566 226 Q N 0.374 120.149 119.800 -0.041 0.000 2.557 226 Q HA 0.002 4.342 4.340 -0.000 0.000 0.316 226 Q C 1.662 177.625 176.000 -0.061 0.000 1.130 226 Q CA 1.032 56.806 55.803 -0.047 0.000 1.065 226 Q CB 0.099 28.811 28.738 -0.043 0.000 1.014 226 Q HN 0.591 nan 8.270 nan 0.000 0.397 227 E N 2.829 122.993 120.200 -0.060 0.000 2.233 227 E HA -0.282 4.068 4.350 -0.000 0.000 0.210 227 E C 0.335 176.886 176.600 -0.082 0.000 1.046 227 E CA 2.033 58.390 56.400 -0.070 0.000 0.844 227 E CB 0.193 29.857 29.700 -0.060 0.000 0.741 227 E HN 0.843 nan 8.360 nan 0.000 0.465 228 D N -2.145 118.211 120.400 -0.073 0.000 2.559 228 D HA 0.193 4.833 4.640 -0.000 0.000 0.234 228 D C 0.514 176.765 176.300 -0.081 0.000 1.226 228 D CA 0.384 54.338 54.000 -0.077 0.000 0.830 228 D CB 0.594 41.355 40.800 -0.064 0.000 1.028 228 D HN 0.092 nan 8.370 nan 0.000 0.492 229 A N -0.104 122.664 122.820 -0.087 0.000 2.390 229 A HA 0.408 4.727 4.320 -0.000 0.000 0.232 229 A C 0.727 178.241 177.584 -0.116 0.000 1.233 229 A CA 0.087 52.067 52.037 -0.096 0.000 0.907 229 A CB 0.124 19.073 19.000 -0.084 0.000 0.967 229 A HN 0.288 nan 8.150 nan 0.000 0.512 230 S N -0.903 114.726 115.700 -0.117 0.000 2.541 230 S HA 0.575 5.045 4.470 -0.000 0.000 0.280 230 S C -1.684 172.837 174.600 -0.131 0.000 1.112 230 S CA -0.838 57.288 58.200 -0.123 0.000 0.925 230 S CB 1.983 65.100 63.200 -0.138 0.000 1.067 230 S HN 0.014 nan 8.310 nan 0.000 0.479 231 P HA -0.100 nan 4.420 nan 0.000 0.213 231 P C -0.058 177.121 177.300 -0.201 0.000 1.170 231 P CA 1.675 64.696 63.100 -0.132 0.000 0.902 231 P CB -0.546 31.089 31.700 -0.108 0.000 0.789 232 D N -2.586 117.650 120.400 -0.273 0.000 2.490 232 D HA 0.195 4.835 4.640 -0.000 0.000 0.232 232 D C 1.169 177.119 176.300 -0.583 0.000 1.053 232 D CA -1.056 52.639 54.000 -0.509 0.000 0.914 232 D CB 0.985 41.359 40.800 -0.710 0.000 1.431 232 D HN -0.034 nan 8.370 nan 0.000 0.483 233 R N 0.459 120.491 120.500 -0.779 0.000 2.276 233 R HA 0.023 4.363 4.340 -0.000 0.000 0.203 233 R C -0.006 175.915 176.300 -0.632 0.000 1.017 233 R CA 0.546 56.301 56.100 -0.576 0.000 1.010 233 R CB -0.628 29.415 30.300 -0.428 0.000 0.900 233 R HN 0.532 nan 8.270 nan 0.000 0.469 234 F N -0.566 119.033 119.950 -0.585 0.000 2.837 234 F HA 0.518 5.044 4.527 -0.000 0.000 0.298 234 F C -0.017 175.542 175.800 -0.402 0.000 1.161 234 F CA -1.522 55.986 58.000 -0.820 0.000 1.353 234 F CB 0.258 38.309 39.000 -1.581 0.000 0.951 234 F HN -0.217 nan 8.300 nan 0.000 0.508 235 S N 2.032 117.583 115.700 -0.250 0.000 2.497 235 S HA 0.351 4.821 4.470 -0.000 0.000 0.193 235 S C -0.589 173.288 174.600 -1.205 0.000 1.360 235 S CA -0.513 57.388 58.200 -0.499 0.000 1.204 235 S CB -0.724 62.389 63.200 -0.144 0.000 1.171 235 S HN 0.721 nan 8.310 nan 0.000 0.502 236 N N -2.289 115.720 118.700 -1.150 0.000 2.823 236 N HA 0.298 5.037 4.740 -0.000 0.000 0.251 236 N C 0.494 175.761 175.510 -0.405 0.000 1.392 236 N CA -0.883 51.651 53.050 -0.860 0.000 0.864 236 N CB 0.087 38.328 38.487 -0.410 0.000 1.481 236 N HN -0.170 nan 8.380 nan 0.000 0.508 237 T N -1.060 113.347 114.554 -0.245 0.000 2.684 237 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 237 T C 1.047 175.642 174.700 -0.175 0.000 1.036 237 T CA 2.047 64.078 62.100 -0.116 0.000 1.148 237 T CB -0.637 68.089 68.868 -0.236 0.000 0.863 237 T HN 0.792 nan 8.240 nan 0.000 0.436 238 D N 0.024 120.175 120.400 -0.415 0.000 2.092 238 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 238 D C 1.918 178.256 176.300 0.063 0.000 0.994 238 D CA 1.221 55.056 54.000 -0.274 0.000 0.828 238 D CB -0.405 40.161 40.800 -0.389 0.000 0.963 238 D HN 0.479 nan 8.370 nan 0.000 0.450 239 Y N 0.727 121.023 120.300 -0.007 0.000 2.070 239 Y HA -0.215 4.335 4.550 -0.000 0.000 0.280 239 Y C 2.324 178.304 175.900 0.133 0.000 1.148 239 Y CA 2.357 60.504 58.100 0.079 0.000 1.125 239 Y CB -0.825 37.672 38.460 0.061 0.000 0.975 239 Y HN 0.088 nan 8.280 nan 0.000 0.492 240 A N -0.286 122.695 122.820 0.269 0.000 1.859 240 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 240 A C 2.369 180.031 177.584 0.130 0.000 1.209 240 A CA 2.695 54.881 52.037 0.248 0.000 0.639 240 A CB -1.555 17.631 19.000 0.310 0.000 0.835 240 A HN 0.374 nan 8.150 nan 0.000 0.450 241 V N -0.135 119.850 119.914 0.118 0.000 2.252 241 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 241 V C 2.800 178.935 176.094 0.067 0.000 1.056 241 V CA 2.355 64.723 62.300 0.114 0.000 1.022 241 V CB -1.570 30.378 31.823 0.208 0.000 0.641 241 V HN 0.697 nan 8.190 nan 0.000 0.445 242 G N -1.812 107.018 108.800 0.051 0.000 2.453 242 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.215 242 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.215 242 G C 1.505 176.368 174.900 -0.062 0.000 1.201 242 G CA 1.213 46.308 45.100 -0.008 0.000 0.784 242 G HN 0.492 nan 8.290 nan 0.000 0.545 243 Y N 0.808 120.887 120.300 -0.368 0.000 2.062 243 Y HA -0.254 4.296 4.550 -0.000 0.000 0.276 243 Y C 2.903 178.714 175.900 -0.150 0.000 1.189 243 Y CA 2.344 60.233 58.100 -0.352 0.000 1.130 243 Y CB -0.456 37.740 38.460 -0.440 0.000 0.959 243 Y HN 0.227 nan 8.280 nan 0.000 0.499 244 M N -0.930 118.621 119.600 -0.081 0.000 2.149 244 M HA -0.233 4.247 4.480 -0.000 0.000 0.261 244 M C 2.114 178.337 176.300 -0.127 0.000 1.064 244 M CA 1.632 56.853 55.300 -0.132 0.000 1.102 244 M CB -0.274 32.312 32.600 -0.024 0.000 1.369 244 M HN 0.393 nan 8.290 nan 0.000 0.408 245 L N -0.834 120.341 121.223 -0.080 0.000 2.083 245 L HA -0.239 4.101 4.340 -0.000 0.000 0.209 245 L C 2.648 179.464 176.870 -0.090 0.000 1.083 245 L CA 1.316 56.118 54.840 -0.064 0.000 0.752 245 L CB -0.624 41.414 42.059 -0.036 0.000 0.899 245 L HN 0.353 nan 8.230 nan 0.000 0.433 246 R N 0.614 121.042 120.500 -0.120 0.000 2.081 246 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 246 R C 2.107 178.306 176.300 -0.168 0.000 1.131 246 R CA 1.243 57.267 56.100 -0.126 0.000 0.960 246 R CB -0.219 30.005 30.300 -0.126 0.000 0.856 246 R HN 0.326 nan 8.270 nan 0.000 0.436 247 L N -0.182 120.882 121.223 -0.264 0.000 2.633 247 L HA -0.004 4.336 4.340 -0.000 0.000 0.235 247 L C 1.370 178.156 176.870 -0.141 0.000 1.163 247 L CA 0.906 55.599 54.840 -0.245 0.000 0.859 247 L CB -0.030 41.829 42.059 -0.334 0.000 0.973 247 L HN 0.733 nan 8.230 nan 0.000 0.451 248 G N -0.904 107.829 108.800 -0.111 0.000 2.259 248 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 248 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 248 G C 0.502 175.364 174.900 -0.065 0.000 1.001 248 G CA -0.187 44.867 45.100 -0.077 0.000 0.627 248 G HN 0.473 nan 8.290 nan 0.000 0.501 249 A N 2.015 124.793 122.820 -0.070 0.000 2.566 249 A HA 0.542 4.862 4.320 -0.000 0.000 0.245 249 A C -1.262 176.301 177.584 -0.034 0.000 1.056 249 A CA 0.356 52.363 52.037 -0.050 0.000 0.757 249 A CB -0.170 18.801 19.000 -0.048 0.000 0.979 249 A HN 0.282 nan 8.150 nan 0.000 0.508 250 P HA 0.260 nan 4.420 nan 0.000 0.272 250 P C 0.828 178.130 177.300 0.003 0.000 1.240 250 P CA 0.409 63.502 63.100 -0.011 0.000 0.791 250 P CB 0.843 32.538 31.700 -0.008 0.000 0.978 251 A N 1.243 124.068 122.820 0.007 0.000 1.930 251 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 251 A C 1.951 179.558 177.584 0.038 0.000 1.176 251 A CA 1.802 53.850 52.037 0.019 0.000 0.632 251 A CB -1.638 17.371 19.000 0.015 0.000 0.819 251 A HN 0.577 nan 8.150 nan 0.000 0.445 252 S N -0.242 115.479 115.700 0.035 0.000 2.474 252 S HA -0.047 4.423 4.470 -0.000 0.000 0.235 252 S C 1.213 175.850 174.600 0.062 0.000 0.997 252 S CA 1.297 59.523 58.200 0.044 0.000 0.949 252 S CB -0.173 63.044 63.200 0.030 0.000 0.766 252 S HN 0.579 nan 8.310 nan 0.000 0.517 253 K N 0.230 120.668 120.400 0.063 0.000 2.514 253 K HA 0.378 4.698 4.320 -0.000 0.000 0.207 253 K C -1.095 175.571 176.600 0.110 0.000 1.035 253 K CA -0.215 56.131 56.287 0.099 0.000 1.113 253 K CB 0.454 32.992 32.500 0.064 0.000 0.846 253 K HN 0.171 nan 8.250 nan 0.000 0.491 254 L N 1.310 122.584 121.223 0.084 0.000 2.343 254 L HA 0.343 4.682 4.340 -0.000 0.000 0.278 254 L C -1.047 175.868 176.870 0.075 0.000 0.996 254 L CA -0.825 54.063 54.840 0.080 0.000 0.831 254 L CB 1.796 43.886 42.059 0.051 0.000 1.232 254 L HN -0.227 nan 8.230 nan 0.000 0.413 255 V N 5.283 125.253 119.914 0.095 0.000 2.459 255 V HA 0.456 4.576 4.120 -0.000 0.000 0.295 255 V C 0.202 176.353 176.094 0.095 0.000 1.029 255 V CA -0.579 61.759 62.300 0.064 0.000 0.874 255 V CB 1.705 33.543 31.823 0.025 0.000 0.985 255 V HN 0.783 nan 8.190 nan 0.000 0.438 256 M N 4.012 123.662 119.600 0.084 0.000 2.084 256 M HA 0.515 4.995 4.480 -0.000 0.000 0.351 256 M C 0.711 177.098 176.300 0.146 0.000 1.240 256 M CA -0.206 55.157 55.300 0.106 0.000 1.083 256 M CB 0.535 33.196 32.600 0.102 0.000 1.593 256 M HN 0.859 nan 8.290 nan 0.000 0.463 257 G N 5.548 114.458 108.800 0.184 0.000 2.491 257 G HA2 0.447 4.407 3.960 -0.000 0.000 0.238 257 G HA3 0.447 4.407 3.960 -0.000 0.000 0.238 257 G C -0.678 174.420 174.900 0.331 0.000 1.277 257 G CA -0.412 44.883 45.100 0.326 0.000 0.851 257 G HN 0.820 nan 8.290 nan 0.000 0.573 258 I N 3.518 124.299 120.570 0.351 0.000 2.560 258 I HA 0.226 4.396 4.170 -0.000 0.000 0.283 258 I C -2.259 173.944 176.117 0.143 0.000 1.115 258 I CA -1.899 59.527 61.300 0.211 0.000 1.066 258 I CB 3.134 41.206 38.000 0.120 0.000 1.221 258 I HN 0.369 nan 8.210 nan 0.000 0.450 259 P HA 0.119 nan 4.420 nan 0.000 0.271 259 P C 0.280 177.562 177.300 -0.031 0.000 1.218 259 P CA 0.011 63.008 63.100 -0.171 0.000 0.780 259 P CB 1.134 32.465 31.700 -0.615 0.000 0.901 260 T N -1.099 113.534 114.554 0.132 0.000 3.174 260 T HA 0.352 4.702 4.350 -0.000 0.000 0.269 260 T C 0.307 175.124 174.700 0.195 0.000 1.017 260 T CA -0.359 61.807 62.100 0.111 0.000 0.899 260 T CB -0.848 68.109 68.868 0.147 0.000 1.077 260 T HN 0.398 nan 8.240 nan 0.000 0.552 261 F N -0.327 119.662 119.950 0.066 0.000 2.598 261 F HA 0.930 5.457 4.527 -0.000 0.000 0.327 261 F C -0.033 175.770 175.800 0.004 0.000 1.057 261 F CA -1.882 56.122 58.000 0.006 0.000 0.957 261 F CB 1.001 39.979 39.000 -0.037 0.000 1.278 261 F HN 0.064 nan 8.300 nan 0.000 0.484 262 G N 0.920 109.692 108.800 -0.047 0.000 2.473 262 G HA2 0.592 4.552 3.960 -0.000 0.000 0.321 262 G HA3 0.592 4.552 3.960 -0.000 0.000 0.321 262 G C -1.455 173.255 174.900 -0.317 0.000 1.200 262 G CA -1.266 43.706 45.100 -0.213 0.000 0.963 262 G HN 0.635 nan 8.290 nan 0.000 0.483 263 R N 0.440 120.636 120.500 -0.507 0.000 2.338 263 R HA 0.499 4.839 4.340 -0.000 0.000 0.317 263 R C 0.003 175.979 176.300 -0.540 0.000 0.968 263 R CA -0.318 55.511 56.100 -0.453 0.000 0.849 263 R CB 1.682 31.726 30.300 -0.427 0.000 1.128 263 R HN 0.708 nan 8.270 nan 0.000 0.448 264 S N 2.210 117.546 115.700 -0.607 0.000 2.704 264 S HA 0.814 5.284 4.470 -0.000 0.000 0.305 264 S C -0.504 173.556 174.600 -0.900 0.000 1.107 264 S CA -0.577 57.265 58.200 -0.598 0.000 0.993 264 S CB 1.361 64.375 63.200 -0.310 0.000 1.110 264 S HN 0.355 nan 8.310 nan 0.000 0.534 265 F N -1.093 118.943 119.950 0.143 0.000 2.685 265 F HA 0.572 5.099 4.527 -0.000 0.000 0.315 265 F C -0.068 175.800 175.800 0.114 0.000 1.126 265 F CA -0.856 57.199 58.000 0.091 0.000 0.950 265 F CB 1.803 40.820 39.000 0.028 0.000 1.360 265 F HN 0.510 nan 8.300 nan 0.000 0.469 266 T N 2.843 117.564 114.554 0.279 0.000 2.772 266 T HA 0.593 4.943 4.350 -0.000 0.000 0.288 266 T C -0.202 174.594 174.700 0.160 0.000 0.994 266 T CA -0.553 61.665 62.100 0.197 0.000 0.951 266 T CB 0.484 69.434 68.868 0.136 0.000 0.933 266 T HN 0.312 nan 8.240 nan 0.000 0.447 267 L N 1.905 123.227 121.223 0.165 0.000 2.473 267 L HA 0.423 4.763 4.340 -0.000 0.000 0.268 267 L C 1.381 178.289 176.870 0.063 0.000 1.215 267 L CA -0.356 54.540 54.840 0.094 0.000 0.823 267 L CB 0.275 42.414 42.059 0.134 0.000 1.099 267 L HN 0.755 nan 8.230 nan 0.000 0.483 268 A N 0.472 123.306 122.820 0.023 0.000 2.431 268 A HA 0.317 4.637 4.320 -0.000 0.000 0.239 268 A C 0.603 178.199 177.584 0.020 0.000 1.230 268 A CA 0.531 52.579 52.037 0.020 0.000 0.928 268 A CB 0.156 19.154 19.000 -0.002 0.000 1.006 268 A HN 0.735 nan 8.150 nan 0.000 0.520 269 S N -1.583 114.131 115.700 0.024 0.000 2.776 269 S HA 0.406 4.876 4.470 -0.000 0.000 0.292 269 S C 0.822 175.450 174.600 0.047 0.000 1.187 269 S CA 0.500 58.715 58.200 0.026 0.000 0.834 269 S CB 0.683 63.887 63.200 0.007 0.000 1.199 269 S HN 0.720 nan 8.310 nan 0.000 0.514 270 S N -0.687 115.039 115.700 0.044 0.000 2.561 270 S HA 0.117 4.587 4.470 -0.000 0.000 0.225 270 S C 0.435 175.076 174.600 0.068 0.000 0.977 270 S CA 0.482 58.718 58.200 0.060 0.000 0.926 270 S CB -0.591 62.639 63.200 0.048 0.000 0.769 270 S HN 0.730 nan 8.310 nan 0.000 0.533 271 E N 2.525 122.752 120.200 0.046 0.000 2.360 271 E HA 0.304 4.653 4.350 -0.000 0.000 0.269 271 E C 0.659 177.304 176.600 0.075 0.000 1.022 271 E CA 0.481 56.905 56.400 0.041 0.000 0.887 271 E CB 1.079 30.777 29.700 -0.004 0.000 0.990 271 E HN 0.379 nan 8.360 nan 0.000 0.426 272 T N 0.392 115.022 114.554 0.126 0.000 3.262 272 T HA 0.410 4.760 4.350 -0.000 0.000 0.300 272 T C 0.711 175.623 174.700 0.354 0.000 0.959 272 T CA -0.095 62.167 62.100 0.270 0.000 0.936 272 T CB 0.108 69.204 68.868 0.380 0.000 1.169 272 T HN 0.321 nan 8.240 nan 0.000 0.532 273 G N 1.167 110.052 108.800 0.141 0.000 2.510 273 G HA2 0.557 4.517 3.960 -0.000 0.000 0.280 273 G HA3 0.557 4.517 3.960 -0.000 0.000 0.280 273 G C -0.334 174.512 174.900 -0.091 0.000 1.386 273 G CA -0.581 44.588 45.100 0.115 0.000 1.047 273 G HN 0.317 nan 8.290 nan 0.000 0.527 274 V N 0.303 120.149 119.914 -0.115 0.000 2.811 274 V HA 0.440 4.560 4.120 -0.000 0.000 0.302 274 V C 1.598 177.511 176.094 -0.301 0.000 1.063 274 V CA 1.476 63.617 62.300 -0.266 0.000 1.088 274 V CB 0.795 32.534 31.823 -0.140 0.000 0.982 274 V HN 1.795 nan 8.190 nan 0.000 0.485 275 G N 3.208 111.757 108.800 -0.418 0.000 2.168 275 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.257 275 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.257 275 G C 0.337 175.059 174.900 -0.297 0.000 0.997 275 G CA 0.235 45.143 45.100 -0.320 0.000 0.708 275 G HN 1.481 nan 8.290 nan 0.000 0.520 276 A N 0.584 123.178 122.820 -0.378 0.000 2.322 276 A HA 0.752 5.071 4.320 -0.000 0.000 0.269 276 A C -1.357 176.052 177.584 -0.292 0.000 1.094 276 A CA -1.000 50.871 52.037 -0.277 0.000 0.807 276 A CB 0.676 19.528 19.000 -0.247 0.000 1.047 276 A HN 0.242 nan 8.150 nan 0.000 0.487 277 P HA 0.321 nan 4.420 nan 0.000 0.271 277 P C -0.644 176.564 177.300 -0.153 0.000 1.216 277 P CA 0.395 63.398 63.100 -0.162 0.000 0.771 277 P CB 0.519 32.161 31.700 -0.098 0.000 0.864 278 I N -0.478 119.995 120.570 -0.161 0.000 2.957 278 I HA 0.612 4.782 4.170 -0.000 0.000 0.310 278 I C 0.079 176.173 176.117 -0.037 0.000 1.063 278 I CA -1.114 60.126 61.300 -0.099 0.000 1.033 278 I CB 2.508 40.413 38.000 -0.159 0.000 1.230 278 I HN 0.226 nan 8.210 nan 0.000 0.447 279 S N 1.288 117.000 115.700 0.020 0.000 2.558 279 S HA 0.775 5.245 4.470 -0.000 0.000 0.238 279 S C 0.089 174.727 174.600 0.063 0.000 1.183 279 S CA -0.044 58.177 58.200 0.034 0.000 1.185 279 S CB -0.309 62.913 63.200 0.037 0.000 1.003 279 S HN 1.934 nan 8.310 nan 0.000 0.478 280 G N 1.971 110.821 108.800 0.083 0.000 2.371 280 G HA2 0.141 4.101 3.960 -0.000 0.000 0.663 280 G HA3 0.141 4.101 3.960 -0.000 0.000 0.663 280 G C -3.370 171.635 174.900 0.174 0.000 1.311 280 G CA -0.507 44.661 45.100 0.113 0.000 0.985 280 G HN 0.313 nan 8.290 nan 0.000 0.566 281 P HA 0.465 nan 4.420 nan 0.000 0.296 281 P C 0.722 178.075 177.300 0.089 0.000 1.295 281 P CA 0.605 63.784 63.100 0.132 0.000 0.754 281 P CB 0.279 32.016 31.700 0.062 0.000 1.311 282 G N -1.005 107.789 108.800 -0.011 0.000 2.434 282 G HA2 0.523 4.483 3.960 -0.000 0.000 0.330 282 G HA3 0.523 4.483 3.960 -0.000 0.000 0.330 282 G C -0.081 174.820 174.900 0.001 0.000 1.155 282 G CA -0.974 44.129 45.100 0.004 0.000 0.917 282 G HN 0.352 nan 8.290 nan 0.000 0.493 283 I N 1.521 122.109 120.570 0.031 0.000 2.880 283 I HA -0.003 4.167 4.170 -0.000 0.000 0.296 283 I C -1.737 174.384 176.117 0.008 0.000 1.220 283 I CA -0.730 60.591 61.300 0.034 0.000 1.435 283 I CB 0.716 38.754 38.000 0.064 0.000 1.339 283 I HN 0.203 nan 8.210 nan 0.000 0.583 284 P HA 0.069 nan 4.420 nan 0.000 0.271 284 P C 0.044 177.358 177.300 0.023 0.000 1.216 284 P CA -0.165 62.942 63.100 0.011 0.000 0.771 284 P CB 0.536 32.249 31.700 0.022 0.000 0.864 285 G N 2.699 111.509 108.800 0.017 0.000 2.554 285 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.238 285 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.238 285 G C 0.869 175.828 174.900 0.098 0.000 1.259 285 G CA -0.476 44.655 45.100 0.052 0.000 0.843 285 G HN 0.439 nan 8.290 nan 0.000 0.582 286 R N 0.844 121.430 120.500 0.143 0.000 2.193 286 R HA -0.050 4.290 4.340 -0.000 0.000 0.229 286 R C 1.325 177.582 176.300 -0.071 0.000 1.110 286 R CA 1.260 57.383 56.100 0.038 0.000 0.988 286 R CB -0.080 30.233 30.300 0.021 0.000 0.871 286 R HN 0.614 nan 8.270 nan 0.000 0.458 287 F N -1.274 118.743 119.950 0.112 0.000 2.490 287 F HA 0.009 4.536 4.527 -0.000 0.000 0.280 287 F C 2.625 178.499 175.800 0.125 0.000 1.030 287 F CA 0.936 59.028 58.000 0.154 0.000 1.367 287 F CB -0.530 38.630 39.000 0.266 0.000 1.131 287 F HN -0.059 nan 8.300 nan 0.000 0.632 288 T N -2.415 112.299 114.554 0.266 0.000 3.055 288 T HA -0.024 4.326 4.350 -0.000 0.000 0.265 288 T C 0.655 175.423 174.700 0.113 0.000 1.111 288 T CA 0.015 62.209 62.100 0.158 0.000 1.118 288 T CB -0.464 68.438 68.868 0.056 0.000 0.909 288 T HN 0.031 nan 8.240 nan 0.000 0.501 289 K N 2.000 122.455 120.400 0.093 0.000 5.095 289 K HA -0.176 4.144 4.320 -0.000 0.000 0.311 289 K C -0.335 176.292 176.600 0.044 0.000 0.785 289 K CA 0.825 57.147 56.287 0.059 0.000 0.935 289 K CB -1.064 31.471 32.500 0.058 0.000 1.912 289 K HN 0.773 nan 8.250 nan 0.000 0.396 290 E N 0.566 120.780 120.200 0.023 0.000 2.762 290 E HA 0.202 4.552 4.350 -0.000 0.000 0.384 290 E C -0.791 175.805 176.600 -0.006 0.000 1.086 290 E CA 0.000 56.407 56.400 0.011 0.000 0.769 290 E CB 0.594 30.299 29.700 0.007 0.000 1.560 290 E HN 0.518 nan 8.360 nan 0.000 0.384 291 A N 1.117 123.938 122.820 0.001 0.000 2.583 291 A HA 0.164 4.484 4.320 -0.000 0.000 0.254 291 A C 1.429 178.996 177.584 -0.028 0.000 0.960 291 A CA 1.897 53.931 52.037 -0.006 0.000 0.904 291 A CB -0.487 18.523 19.000 0.017 0.000 0.827 291 A HN 1.369 nan 8.150 nan 0.000 0.450 292 G N 1.691 110.448 108.800 -0.071 0.000 2.234 292 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.235 292 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.235 292 G C 0.455 175.258 174.900 -0.161 0.000 0.997 292 G CA 0.721 45.739 45.100 -0.137 0.000 0.623 292 G HN 1.516 nan 8.290 nan 0.000 0.514 293 T N 0.670 115.161 114.554 -0.105 0.000 2.932 293 T HA 0.781 5.131 4.350 -0.000 0.000 0.289 293 T C -0.543 174.102 174.700 -0.092 0.000 1.039 293 T CA -0.314 61.741 62.100 -0.076 0.000 1.024 293 T CB 1.881 70.710 68.868 -0.065 0.000 1.090 293 T HN 0.478 nan 8.240 nan 0.000 0.496 294 L N 1.439 122.617 121.223 -0.076 0.000 2.588 294 L HA 0.592 4.932 4.340 -0.000 0.000 0.263 294 L C -0.295 176.500 176.870 -0.125 0.000 0.935 294 L CA -1.160 53.596 54.840 -0.140 0.000 0.891 294 L CB 1.753 43.677 42.059 -0.225 0.000 1.318 294 L HN 0.768 nan 8.230 nan 0.000 0.409 295 A N 1.286 123.940 122.820 -0.276 0.000 2.351 295 A HA 0.224 4.543 4.320 -0.000 0.000 0.257 295 A C 0.430 177.791 177.584 -0.372 0.000 1.087 295 A CA 0.065 51.865 52.037 -0.395 0.000 0.798 295 A CB 0.230 18.669 19.000 -0.936 0.000 1.033 295 A HN 0.753 nan 8.150 nan 0.000 0.488 296 Y N 1.734 121.855 120.300 -0.299 0.000 2.151 296 Y HA -0.347 4.203 4.550 -0.000 0.000 0.284 296 Y C 2.014 177.782 175.900 -0.220 0.000 1.166 296 Y CA 2.907 60.893 58.100 -0.190 0.000 1.163 296 Y CB -0.726 37.718 38.460 -0.026 0.000 0.974 296 Y HN 0.841 nan 8.280 nan 0.000 0.511 297 Y N -1.210 118.927 120.300 -0.270 0.000 2.421 297 Y HA -0.012 4.538 4.550 -0.000 0.000 0.292 297 Y C 1.799 177.372 175.900 -0.545 0.000 1.136 297 Y CA 1.089 58.882 58.100 -0.512 0.000 1.255 297 Y CB -1.188 36.818 38.460 -0.757 0.000 0.991 297 Y HN 0.179 nan 8.280 nan 0.000 0.552 298 E N 0.767 120.650 120.200 -0.528 0.000 2.170 298 E HA -0.005 4.345 4.350 -0.000 0.000 0.191 298 E C 2.022 178.507 176.600 -0.191 0.000 0.981 298 E CA 0.949 57.195 56.400 -0.256 0.000 0.830 298 E CB -0.122 29.436 29.700 -0.237 0.000 0.775 298 E HN 0.539 nan 8.360 nan 0.000 0.470 299 I N 0.830 121.206 120.570 -0.322 0.000 2.226 299 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 299 I C 2.348 178.303 176.117 -0.270 0.000 1.100 299 I CA 0.592 61.687 61.300 -0.342 0.000 1.374 299 I CB -0.335 37.334 38.000 -0.551 0.000 1.057 299 I HN 0.220 nan 8.210 nan 0.000 0.413 300 c N 0.878 119.237 118.600 -0.402 0.000 2.403 300 c HA -0.197 4.373 4.570 -0.000 0.000 0.277 300 c C 2.473 176.519 174.090 -0.074 0.000 1.248 300 c CA 1.045 57.205 56.329 -0.281 0.000 1.762 300 c CB -1.062 41.263 42.510 -0.308 0.000 2.014 300 c HN 0.543 nan 8.230 nan 0.000 0.486 301 D N -0.219 120.188 120.400 0.013 0.000 2.077 301 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 301 D C 1.814 178.156 176.300 0.070 0.000 0.986 301 D CA 1.073 55.124 54.000 0.085 0.000 0.829 301 D CB -0.741 40.160 40.800 0.170 0.000 0.983 301 D HN 0.456 nan 8.370 nan 0.000 0.453 302 F N 2.139 122.048 119.950 -0.068 0.000 2.082 302 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 302 F C 2.291 178.048 175.800 -0.073 0.000 1.091 302 F CA 1.410 59.369 58.000 -0.069 0.000 1.230 302 F CB -0.500 38.434 39.000 -0.112 0.000 0.983 302 F HN -0.099 nan 8.300 nan 0.000 0.485 303 L N 0.030 121.253 121.223 0.001 0.000 2.089 303 L HA -0.244 4.096 4.340 -0.000 0.000 0.213 303 L C 1.120 177.909 176.870 -0.134 0.000 1.079 303 L CA 1.113 55.906 54.840 -0.077 0.000 0.758 303 L CB -0.893 41.142 42.059 -0.039 0.000 0.891 303 L HN 0.004 nan 8.230 nan 0.000 0.433 304 R N 0.945 121.381 120.500 -0.106 0.000 2.507 304 R HA 0.075 4.415 4.340 -0.000 0.000 0.341 304 R C 1.098 177.317 176.300 -0.135 0.000 0.960 304 R CA 0.741 56.785 56.100 -0.093 0.000 1.032 304 R CB -0.343 29.923 30.300 -0.056 0.000 0.933 304 R HN 0.462 nan 8.270 nan 0.000 0.418 305 G N 1.294 110.022 108.800 -0.122 0.000 2.176 305 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.253 305 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.253 305 G C 0.270 175.065 174.900 -0.174 0.000 0.979 305 G CA 0.035 45.059 45.100 -0.127 0.000 0.641 305 G HN 0.815 nan 8.290 nan 0.000 0.530 306 A N -0.610 122.074 122.820 -0.226 0.000 2.239 306 A HA 0.880 5.200 4.320 -0.000 0.000 0.303 306 A C 0.423 177.913 177.584 -0.158 0.000 1.114 306 A CA 0.734 52.613 52.037 -0.262 0.000 0.871 306 A CB 0.781 19.559 19.000 -0.370 0.000 1.201 306 A HN 0.906 nan 8.150 nan 0.000 0.506 307 T N 0.397 114.865 114.554 -0.143 0.000 2.847 307 T HA 0.502 4.852 4.350 -0.000 0.000 0.291 307 T C -0.687 173.790 174.700 -0.370 0.000 0.998 307 T CA -0.336 61.634 62.100 -0.218 0.000 0.967 307 T CB 1.060 69.832 68.868 -0.161 0.000 0.954 307 T HN 0.428 nan 8.240 nan 0.000 0.441 308 V N 4.415 124.086 119.914 -0.405 0.000 2.539 308 V HA 0.409 4.529 4.120 -0.000 0.000 0.292 308 V C -0.294 175.364 176.094 -0.726 0.000 1.045 308 V CA -0.679 61.363 62.300 -0.430 0.000 0.945 308 V CB 0.982 32.709 31.823 -0.161 0.000 0.993 308 V HN 0.827 nan 8.190 nan 0.000 0.464 309 H N 4.540 123.294 119.070 -0.525 0.000 2.823 309 H HA 0.433 4.989 4.556 -0.000 0.000 0.332 309 H C -0.525 174.568 175.328 -0.391 0.000 0.980 309 H CA -0.818 54.918 56.048 -0.520 0.000 1.286 309 H CB 1.581 30.827 29.762 -0.860 0.000 1.541 309 H HN 0.496 nan 8.280 nan 0.000 0.521 310 R N 3.582 124.035 120.500 -0.079 0.000 2.248 310 R HA 0.239 4.579 4.340 -0.000 0.000 0.328 310 R C 0.243 176.553 176.300 0.015 0.000 1.067 310 R CA -0.612 55.454 56.100 -0.057 0.000 0.924 310 R CB 0.460 30.734 30.300 -0.043 0.000 1.013 310 R HN 0.487 nan 8.270 nan 0.000 0.454 311 I N 4.299 124.900 120.570 0.052 0.000 2.587 311 I HA -0.130 4.040 4.170 -0.000 0.000 0.284 311 I C 2.071 178.205 176.117 0.029 0.000 1.134 311 I CA 0.117 61.475 61.300 0.097 0.000 1.410 311 I CB 0.444 38.518 38.000 0.124 0.000 1.392 311 I HN 0.472 nan 8.210 nan 0.000 0.545 312 L N 5.343 126.585 121.223 0.031 0.000 1.929 312 L HA -0.213 4.127 4.340 -0.000 0.000 0.229 312 L C 2.346 179.216 176.870 0.000 0.000 1.086 312 L CA 2.067 56.912 54.840 0.009 0.000 0.798 312 L CB -0.888 41.174 42.059 0.005 0.000 0.898 312 L HN 0.895 nan 8.230 nan 0.000 0.436 313 G N -1.466 107.330 108.800 -0.005 0.000 2.535 313 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 313 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 313 G C 1.325 176.256 174.900 0.051 0.000 1.122 313 G CA 0.322 45.418 45.100 -0.007 0.000 0.769 313 G HN 0.550 nan 8.290 nan 0.000 0.549 314 Q N -0.962 118.851 119.800 0.023 0.000 2.384 314 Q HA 0.086 4.426 4.340 -0.000 0.000 0.207 314 Q C 0.601 176.573 176.000 -0.046 0.000 0.904 314 Q CA -0.036 55.763 55.803 -0.006 0.000 0.933 314 Q CB 0.385 29.066 28.738 -0.096 0.000 1.077 314 Q HN 0.284 nan 8.270 nan 0.000 0.522 315 Q N -0.525 119.263 119.800 -0.020 0.000 2.494 315 Q HA -0.147 4.193 4.340 -0.000 0.000 0.266 315 Q C -0.392 175.529 176.000 -0.131 0.000 1.053 315 Q CA 1.176 56.957 55.803 -0.037 0.000 1.029 315 Q CB -2.440 26.317 28.738 0.032 0.000 1.423 315 Q HN 0.388 nan 8.270 nan 0.000 0.516 316 V N -3.972 115.813 119.914 -0.215 0.000 3.130 316 V HA 0.969 5.089 4.120 -0.000 0.000 0.310 316 V C -2.708 173.233 176.094 -0.255 0.000 1.158 316 V CA -2.205 59.898 62.300 -0.328 0.000 1.029 316 V CB 2.979 34.349 31.823 -0.755 0.000 1.057 316 V HN -0.066 nan 8.190 nan 0.000 0.436 317 P HA 0.584 nan 4.420 nan 0.000 0.292 317 P C -2.155 174.967 177.300 -0.297 0.000 1.308 317 P CA -0.439 62.476 63.100 -0.308 0.000 0.933 317 P CB 2.023 33.464 31.700 -0.433 0.000 1.217 318 Y N -0.639 119.519 120.300 -0.238 0.000 2.524 318 Y HA 0.839 5.389 4.550 -0.000 0.000 0.347 318 Y C -1.753 174.056 175.900 -0.153 0.000 1.005 318 Y CA -1.593 56.333 58.100 -0.290 0.000 1.025 318 Y CB 1.136 39.249 38.460 -0.579 0.000 1.275 318 Y HN 0.604 nan 8.280 nan 0.000 0.460 319 A N 2.050 124.927 122.820 0.096 0.000 2.374 319 A HA 0.827 5.147 4.320 -0.000 0.000 0.317 319 A C -0.830 176.863 177.584 0.182 0.000 1.094 319 A CA -0.441 51.675 52.037 0.132 0.000 0.765 319 A CB 1.754 20.978 19.000 0.374 0.000 1.268 319 A HN 1.068 nan 8.150 nan 0.000 0.438 320 T N 0.329 115.006 114.554 0.205 0.000 2.900 320 T HA 0.697 5.047 4.350 -0.000 0.000 0.303 320 T C -1.366 173.435 174.700 0.170 0.000 1.142 320 T CA -0.559 61.724 62.100 0.305 0.000 1.007 320 T CB 1.170 70.248 68.868 0.350 0.000 1.156 320 T HN 0.913 nan 8.240 nan 0.000 0.490 321 K N 2.292 122.803 120.400 0.185 0.000 2.592 321 K HA 0.492 4.812 4.320 -0.000 0.000 0.259 321 K C 0.456 177.114 176.600 0.097 0.000 0.937 321 K CA 0.211 56.487 56.287 -0.018 0.000 0.874 321 K CB 0.850 33.101 32.500 -0.415 0.000 1.339 321 K HN 1.172 nan 8.250 nan 0.000 0.425 322 G N 3.539 112.387 108.800 0.080 0.000 2.591 322 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.298 322 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.298 322 G C 0.020 175.016 174.900 0.161 0.000 1.195 322 G CA 0.741 45.904 45.100 0.105 0.000 0.989 322 G HN 0.943 nan 8.290 nan 0.000 0.551 323 N N 0.998 119.803 118.700 0.174 0.000 2.273 323 N HA 0.230 4.970 4.740 -0.000 0.000 0.231 323 N C 0.160 175.821 175.510 0.251 0.000 1.134 323 N CA 0.324 53.488 53.050 0.189 0.000 0.856 323 N CB 0.593 39.163 38.487 0.139 0.000 1.068 323 N HN 0.606 nan 8.380 nan 0.000 0.510 324 Q N -0.016 119.983 119.800 0.333 0.000 2.306 324 Q HA 0.345 4.684 4.340 -0.000 0.000 0.265 324 Q C -1.501 174.821 176.000 0.536 0.000 1.022 324 Q CA -0.287 55.755 55.803 0.399 0.000 0.853 324 Q CB 2.217 31.226 28.738 0.451 0.000 1.327 324 Q HN 0.449 nan 8.270 nan 0.000 0.449 325 W N 2.370 123.809 121.300 0.232 0.000 2.884 325 W HA 0.497 5.157 4.660 -0.000 0.000 0.336 325 W C -1.574 175.025 176.519 0.133 0.000 1.038 325 W CA -0.687 56.826 57.345 0.280 0.000 1.247 325 W CB 1.160 30.801 29.460 0.302 0.000 1.351 325 W HN 0.348 nan 8.180 nan 0.000 0.446 326 V N 6.744 126.673 119.914 0.025 0.000 2.487 326 V HA 0.876 4.996 4.120 -0.000 0.000 0.298 326 V C -0.182 175.933 176.094 0.034 0.000 1.028 326 V CA -0.378 61.897 62.300 -0.041 0.000 0.860 326 V CB 1.204 32.828 31.823 -0.333 0.000 0.991 326 V HN 0.638 nan 8.190 nan 0.000 0.427 327 G N 6.242 115.142 108.800 0.167 0.000 2.322 327 G HA2 0.633 4.593 3.960 -0.000 0.000 0.309 327 G HA3 0.633 4.593 3.960 -0.000 0.000 0.309 327 G C -1.107 173.841 174.900 0.080 0.000 1.121 327 G CA -0.077 45.108 45.100 0.140 0.000 0.886 327 G HN 1.210 nan 8.290 nan 0.000 0.447 328 Y N -0.182 120.141 120.300 0.038 0.000 3.036 328 Y HA 0.773 5.323 4.550 -0.000 0.000 0.302 328 Y C -1.270 174.805 175.900 0.291 0.000 1.671 328 Y CA -1.727 56.432 58.100 0.098 0.000 1.082 328 Y CB 0.664 39.166 38.460 0.070 0.000 1.632 328 Y HN 0.402 nan 8.280 nan 0.000 0.454 329 D N 0.026 120.563 120.400 0.229 0.000 2.527 329 D HA 0.479 5.119 4.640 -0.000 0.000 0.233 329 D C -1.544 174.837 176.300 0.135 0.000 1.063 329 D CA -0.363 53.667 54.000 0.051 0.000 0.880 329 D CB 2.053 42.866 40.800 0.022 0.000 1.457 329 D HN 0.655 nan 8.370 nan 0.000 0.475 330 D N -0.280 120.132 120.400 0.020 0.000 2.758 330 D HA 0.211 4.851 4.640 -0.000 0.000 0.279 330 D C 0.535 176.821 176.300 -0.023 0.000 1.111 330 D CA -0.522 53.512 54.000 0.057 0.000 1.109 330 D CB 0.371 41.306 40.800 0.225 0.000 1.428 330 D HN 0.093 nan 8.370 nan 0.000 0.586 331 Q N -0.207 119.604 119.800 0.018 0.000 2.096 331 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 331 Q C 1.757 177.764 176.000 0.012 0.000 0.982 331 Q CA 1.926 57.737 55.803 0.015 0.000 0.850 331 Q CB -0.132 28.636 28.738 0.050 0.000 0.901 331 Q HN 0.667 nan 8.270 nan 0.000 0.422 332 E N -0.242 119.969 120.200 0.019 0.000 2.077 332 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 332 E C 1.935 178.529 176.600 -0.010 0.000 0.989 332 E CA 1.432 57.836 56.400 0.007 0.000 0.800 332 E CB 0.016 29.720 29.700 0.007 0.000 0.746 332 E HN 0.438 nan 8.360 nan 0.000 0.452 333 S N 0.013 115.694 115.700 -0.031 0.000 2.387 333 S HA -0.114 4.356 4.470 -0.000 0.000 0.226 333 S C 2.226 176.801 174.600 -0.041 0.000 1.026 333 S CA 1.122 59.290 58.200 -0.053 0.000 0.972 333 S CB -0.505 62.637 63.200 -0.098 0.000 0.814 333 S HN 0.260 nan 8.310 nan 0.000 0.477 334 V N 0.149 120.045 119.914 -0.031 0.000 2.515 334 V HA 0.039 4.159 4.120 -0.000 0.000 0.250 334 V C 2.507 178.596 176.094 -0.008 0.000 1.058 334 V CA 1.859 64.147 62.300 -0.020 0.000 1.064 334 V CB -1.135 30.676 31.823 -0.020 0.000 0.675 334 V HN 0.452 nan 8.190 nan 0.000 0.461 335 K N 0.752 121.151 120.400 -0.002 0.000 2.026 335 K HA -0.128 4.191 4.320 -0.000 0.000 0.208 335 K C 2.477 179.086 176.600 0.014 0.000 1.048 335 K CA 1.753 58.045 56.287 0.007 0.000 0.929 335 K CB -0.371 32.137 32.500 0.013 0.000 0.713 335 K HN 0.506 nan 8.250 nan 0.000 0.439 336 S N 0.835 116.544 115.700 0.015 0.000 2.353 336 S HA -0.157 4.313 4.470 -0.000 0.000 0.222 336 S C 1.664 176.292 174.600 0.047 0.000 1.035 336 S CA 1.560 59.781 58.200 0.036 0.000 1.025 336 S CB -0.180 63.035 63.200 0.025 0.000 0.902 336 S HN 0.313 nan 8.310 nan 0.000 0.440 337 K N 0.407 120.810 120.400 0.005 0.000 2.113 337 K HA -0.088 4.232 4.320 -0.000 0.000 0.208 337 K C 1.997 178.631 176.600 0.057 0.000 1.047 337 K CA 1.268 57.555 56.287 0.001 0.000 0.928 337 K CB -0.361 32.118 32.500 -0.035 0.000 0.716 337 K HN 0.197 nan 8.250 nan 0.000 0.446 338 V N 1.672 121.597 119.914 0.019 0.000 2.379 338 V HA -0.222 3.897 4.120 -0.000 0.000 0.245 338 V C 2.228 178.303 176.094 -0.031 0.000 1.044 338 V CA 1.560 63.844 62.300 -0.026 0.000 1.036 338 V CB -0.391 31.401 31.823 -0.053 0.000 0.664 338 V HN 0.349 nan 8.190 nan 0.000 0.453 339 Q N -1.110 118.699 119.800 0.015 0.000 2.135 339 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 339 Q C 2.145 178.176 176.000 0.052 0.000 0.981 339 Q CA 2.235 58.053 55.803 0.024 0.000 0.856 339 Q CB -0.350 28.420 28.738 0.054 0.000 0.902 339 Q HN 0.797 nan 8.270 nan 0.000 0.425 340 Y N 2.255 122.545 120.300 -0.017 0.000 2.114 340 Y HA -0.281 4.268 4.550 -0.000 0.000 0.284 340 Y C 2.103 177.987 175.900 -0.025 0.000 1.143 340 Y CA 1.835 59.934 58.100 -0.002 0.000 1.135 340 Y CB -0.329 38.105 38.460 -0.043 0.000 0.980 340 Y HN 0.150 nan 8.280 nan 0.000 0.499 341 L N 0.044 121.270 121.223 0.006 0.000 2.046 341 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 341 L C 2.015 178.780 176.870 -0.174 0.000 1.077 341 L CA 2.012 56.789 54.840 -0.106 0.000 0.747 341 L CB -1.249 40.795 42.059 -0.026 0.000 0.896 341 L HN -0.026 nan 8.230 nan 0.000 0.432 342 K N 0.377 120.656 120.400 -0.202 0.000 2.044 342 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 342 K C 1.795 178.370 176.600 -0.041 0.000 1.049 342 K CA 1.928 58.122 56.287 -0.156 0.000 0.927 342 K CB -0.622 31.793 32.500 -0.143 0.000 0.713 342 K HN 0.394 nan 8.250 nan 0.000 0.443 343 D N 0.493 120.835 120.400 -0.096 0.000 2.156 343 D HA -0.161 4.479 4.640 -0.000 0.000 0.190 343 D C 1.728 177.957 176.300 -0.118 0.000 0.998 343 D CA 1.203 55.143 54.000 -0.100 0.000 0.842 343 D CB -0.161 40.549 40.800 -0.151 0.000 0.974 343 D HN 0.052 nan 8.370 nan 0.000 0.447 344 R N 0.702 121.063 120.500 -0.231 0.000 2.397 344 R HA -0.067 4.273 4.340 -0.000 0.000 0.213 344 R C 0.135 176.396 176.300 -0.064 0.000 1.102 344 R CA 0.262 56.257 56.100 -0.174 0.000 1.040 344 R CB -0.669 29.478 30.300 -0.255 0.000 0.844 344 R HN 0.511 nan 8.270 nan 0.000 0.478 345 Q N 0.418 120.208 119.800 -0.017 0.000 2.453 345 Q HA -0.178 4.162 4.340 -0.000 0.000 0.330 345 Q C -0.557 175.499 176.000 0.092 0.000 1.417 345 Q CA 0.376 56.229 55.803 0.084 0.000 0.902 345 Q CB -1.629 27.143 28.738 0.056 0.000 1.154 345 Q HN 0.358 nan 8.270 nan 0.000 0.395 346 L N -1.042 120.226 121.223 0.076 0.000 2.469 346 L HA 0.379 4.719 4.340 -0.000 0.000 0.253 346 L C 1.672 178.631 176.870 0.148 0.000 1.143 346 L CA 0.316 55.199 54.840 0.070 0.000 0.804 346 L CB 0.250 42.325 42.059 0.026 0.000 1.214 346 L HN 0.395 nan 8.230 nan 0.000 0.476 347 A N 0.527 123.409 122.820 0.104 0.000 2.019 347 A HA 0.278 4.598 4.320 -0.000 0.000 0.219 347 A C 0.940 178.607 177.584 0.138 0.000 1.164 347 A CA 1.453 53.555 52.037 0.108 0.000 0.644 347 A CB -0.509 18.520 19.000 0.048 0.000 0.805 347 A HN 1.013 nan 8.150 nan 0.000 0.449 348 G N -3.214 105.628 108.800 0.070 0.000 2.340 348 G HA2 0.547 4.507 3.960 -0.000 0.000 0.282 348 G HA3 0.547 4.507 3.960 -0.000 0.000 0.282 348 G C -0.580 174.301 174.900 -0.031 0.000 1.312 348 G CA -0.277 44.824 45.100 0.001 0.000 0.942 348 G HN 1.279 nan 8.290 nan 0.000 0.495 349 A N -0.304 122.497 122.820 -0.032 0.000 2.294 349 A HA 0.872 5.192 4.320 -0.000 0.000 0.330 349 A C 0.075 177.683 177.584 0.040 0.000 1.133 349 A CA -0.326 51.720 52.037 0.015 0.000 0.836 349 A CB 1.592 20.601 19.000 0.015 0.000 1.190 349 A HN 1.647 nan 8.150 nan 0.000 0.492 350 M N 2.502 122.175 119.600 0.122 0.000 2.395 350 M HA 0.602 5.082 4.480 -0.000 0.000 0.307 350 M C -1.974 174.497 176.300 0.285 0.000 1.091 350 M CA -0.462 54.958 55.300 0.200 0.000 0.919 350 M CB 1.442 34.216 32.600 0.290 0.000 1.662 350 M HN 0.415 nan 8.290 nan 0.000 0.440 351 V N 4.643 124.737 119.914 0.301 0.000 2.815 351 V HA 0.632 4.752 4.120 -0.000 0.000 0.314 351 V C -1.242 175.130 176.094 0.462 0.000 1.064 351 V CA -0.602 61.883 62.300 0.308 0.000 0.952 351 V CB 2.439 34.370 31.823 0.181 0.000 1.020 351 V HN 0.888 nan 8.190 nan 0.000 0.439 352 W N 3.731 125.134 121.300 0.173 0.000 2.835 352 W HA 0.762 5.422 4.660 -0.000 0.000 0.326 352 W C -1.028 175.553 176.519 0.103 0.000 1.024 352 W CA -0.502 56.910 57.345 0.113 0.000 1.267 352 W CB 1.601 31.057 29.460 -0.008 0.000 1.267 352 W HN 0.791 nan 8.180 nan 0.000 0.412 353 A N 4.979 127.707 122.820 -0.153 0.000 2.572 353 A HA 0.474 4.793 4.320 -0.000 0.000 0.295 353 A C 0.457 177.960 177.584 -0.135 0.000 1.072 353 A CA -0.649 51.158 52.037 -0.383 0.000 0.691 353 A CB 1.466 19.816 19.000 -1.083 0.000 1.291 353 A HN 0.599 nan 8.150 nan 0.000 0.404 354 L N 0.172 121.370 121.223 -0.042 0.000 2.082 354 L HA -0.327 4.013 4.340 -0.000 0.000 0.223 354 L C 1.985 178.979 176.870 0.207 0.000 1.086 354 L CA 2.518 57.456 54.840 0.163 0.000 0.793 354 L CB -0.480 41.637 42.059 0.096 0.000 0.896 354 L HN 1.014 nan 8.230 nan 0.000 0.441 355 D N -1.115 119.221 120.400 -0.106 0.000 2.378 355 D HA -0.108 4.532 4.640 -0.000 0.000 0.227 355 D C 1.702 177.942 176.300 -0.100 0.000 1.012 355 D CA 0.676 54.481 54.000 -0.325 0.000 0.905 355 D CB -0.125 40.337 40.800 -0.564 0.000 0.895 355 D HN 0.375 nan 8.370 nan 0.000 0.532 356 L N -0.913 120.321 121.223 0.019 0.000 2.672 356 L HA 0.198 4.538 4.340 -0.000 0.000 0.236 356 L C 0.980 177.953 176.870 0.173 0.000 1.092 356 L CA -0.274 54.595 54.840 0.049 0.000 0.887 356 L CB 0.166 42.242 42.059 0.029 0.000 1.168 356 L HN 0.024 nan 8.230 nan 0.000 0.502 357 D N 0.379 120.953 120.400 0.289 0.000 2.414 357 D HA -0.064 4.576 4.640 -0.000 0.000 0.251 357 D C -0.164 176.392 176.300 0.428 0.000 1.252 357 D CA -0.039 54.171 54.000 0.350 0.000 0.999 357 D CB 0.806 41.835 40.800 0.382 0.000 1.093 357 D HN -0.145 nan 8.370 nan 0.000 0.515 358 D N 0.412 121.016 120.400 0.340 0.000 2.619 358 D HA 0.006 4.646 4.640 -0.000 0.000 0.224 358 D C 1.057 177.213 176.300 -0.239 0.000 1.133 358 D CA -0.373 53.716 54.000 0.148 0.000 1.017 358 D CB -1.039 39.850 40.800 0.149 0.000 1.077 358 D HN 0.336 nan 8.370 nan 0.000 0.503 359 F N 0.678 120.333 119.950 -0.491 0.000 2.202 359 F HA -0.156 4.371 4.527 -0.000 0.000 0.301 359 F C 1.809 177.186 175.800 -0.705 0.000 1.082 359 F CA 0.781 58.025 58.000 -1.260 0.000 1.313 359 F CB -0.542 38.012 39.000 -0.743 0.000 1.024 359 F HN 0.099 nan 8.300 nan 0.000 0.495 360 Q N 1.128 120.129 119.800 -1.333 0.000 1.993 360 Q HA 0.016 4.356 4.340 -0.000 0.000 0.202 360 Q C 2.296 178.043 176.000 -0.421 0.000 0.984 360 Q CA 2.110 57.419 55.803 -0.823 0.000 0.837 360 Q CB -1.103 27.179 28.738 -0.760 0.000 0.902 360 Q HN 0.753 nan 8.270 nan 0.000 0.423 361 G N -0.691 107.905 108.800 -0.339 0.000 2.211 361 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.201 361 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.201 361 G C 1.058 175.876 174.900 -0.137 0.000 0.997 361 G CA 1.015 46.011 45.100 -0.173 0.000 0.652 361 G HN 0.470 nan 8.290 nan 0.000 0.500 362 S N 0.459 116.039 115.700 -0.201 0.000 2.309 362 S HA 0.204 4.674 4.470 -0.000 0.000 0.206 362 S C 1.858 176.349 174.600 -0.180 0.000 1.028 362 S CA 1.618 59.675 58.200 -0.239 0.000 0.972 362 S CB -0.781 62.167 63.200 -0.420 0.000 0.961 362 S HN 0.456 nan 8.310 nan 0.000 0.449 363 F N 1.991 121.805 119.950 -0.227 0.000 2.063 363 F HA -0.263 4.264 4.527 -0.000 0.000 0.296 363 F C 2.640 178.363 175.800 -0.128 0.000 1.093 363 F CA 1.408 59.307 58.000 -0.168 0.000 1.229 363 F CB -1.260 37.640 39.000 -0.167 0.000 0.971 363 F HN 0.307 nan 8.300 nan 0.000 0.491 364 c N 0.328 118.973 118.600 0.074 0.000 2.573 364 c HA 0.503 5.073 4.570 -0.000 0.000 0.273 364 c C 1.428 175.522 174.090 0.007 0.000 1.346 364 c CA 0.087 56.418 56.329 0.004 0.000 1.702 364 c CB -1.891 40.622 42.510 0.004 0.000 1.751 364 c HN 0.866 nan 8.230 nan 0.000 0.583 365 G N 0.180 108.971 108.800 -0.015 0.000 2.645 365 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.239 365 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.239 365 G C 0.368 175.261 174.900 -0.012 0.000 1.331 365 G CA 0.794 45.879 45.100 -0.027 0.000 0.890 365 G HN 0.551 nan 8.290 nan 0.000 0.572 366 Q N -2.635 117.159 119.800 -0.010 0.000 2.204 366 Q HA -0.342 3.998 4.340 -0.000 0.000 0.158 366 Q C 1.199 177.195 176.000 -0.007 0.000 0.604 366 Q CA 2.824 58.627 55.803 0.000 0.000 1.414 366 Q CB -1.322 27.429 28.738 0.021 0.000 1.448 366 Q HN 1.523 nan 8.270 nan 0.000 0.905 367 D N -1.906 118.480 120.400 -0.024 0.000 2.653 367 D HA -0.221 4.418 4.640 -0.000 0.000 0.184 367 D C 0.135 176.424 176.300 -0.018 0.000 0.993 367 D CA 1.363 55.343 54.000 -0.034 0.000 1.027 367 D CB -1.507 39.276 40.800 -0.028 0.000 1.089 367 D HN 0.524 nan 8.370 nan 0.000 0.447 368 L N 0.385 121.612 121.223 0.007 0.000 2.395 368 L HA 0.627 4.967 4.340 -0.000 0.000 0.269 368 L C 0.335 177.224 176.870 0.031 0.000 1.133 368 L CA -0.434 54.426 54.840 0.033 0.000 0.812 368 L CB 0.804 42.894 42.059 0.052 0.000 1.125 368 L HN -0.039 nan 8.230 nan 0.000 0.452 369 R N 1.723 122.257 120.500 0.055 0.000 2.758 369 R HA 0.725 5.065 4.340 -0.000 0.000 0.265 369 R C -0.796 175.610 176.300 0.177 0.000 1.016 369 R CA -0.794 55.309 56.100 0.005 0.000 1.040 369 R CB 0.037 30.270 30.300 -0.112 0.000 1.152 369 R HN 0.548 nan 8.270 nan 0.000 0.503 370 F N -0.890 119.141 119.950 0.135 0.000 3.039 370 F HA -0.162 4.365 4.527 -0.000 0.000 0.287 370 F C -1.383 174.490 175.800 0.122 0.000 0.956 370 F CA 0.498 58.588 58.000 0.149 0.000 0.971 370 F CB -1.446 37.633 39.000 0.132 0.000 0.943 370 F HN 0.610 nan 8.300 nan 0.000 0.766 371 P HA -0.228 nan 4.420 nan 0.000 0.213 371 P C 1.874 179.250 177.300 0.126 0.000 1.170 371 P CA 1.927 65.140 63.100 0.189 0.000 0.902 371 P CB 0.139 31.982 31.700 0.239 0.000 0.789 372 L N -0.923 120.335 121.223 0.057 0.000 2.083 372 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 372 L C 2.537 179.435 176.870 0.048 0.000 1.083 372 L CA 2.044 56.859 54.840 -0.042 0.000 0.752 372 L CB -1.706 40.227 42.059 -0.211 0.000 0.899 372 L HN 0.060 nan 8.230 nan 0.000 0.433 373 T N -1.210 113.421 114.554 0.130 0.000 3.023 373 T HA -0.037 4.313 4.350 -0.000 0.000 0.266 373 T C 1.707 176.465 174.700 0.096 0.000 1.093 373 T CA 0.620 62.789 62.100 0.116 0.000 1.129 373 T CB -0.118 68.832 68.868 0.136 0.000 0.899 373 T HN 0.271 nan 8.240 nan 0.000 0.491 374 N N 1.116 119.892 118.700 0.127 0.000 2.376 374 N HA 0.128 4.868 4.740 -0.000 0.000 0.177 374 N C 2.074 177.628 175.510 0.073 0.000 1.024 374 N CA 0.835 53.947 53.050 0.103 0.000 0.893 374 N CB -0.113 38.453 38.487 0.132 0.000 0.980 374 N HN 0.399 nan 8.380 nan 0.000 0.439 375 A N 1.343 124.201 122.820 0.065 0.000 1.873 375 A HA -0.010 4.310 4.320 -0.000 0.000 0.215 375 A C 2.254 179.858 177.584 0.033 0.000 1.186 375 A CA 0.686 52.750 52.037 0.044 0.000 0.616 375 A CB -0.514 18.505 19.000 0.032 0.000 0.823 375 A HN 0.153 nan 8.150 nan 0.000 0.442 376 I N -0.313 120.276 120.570 0.031 0.000 2.226 376 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 376 I C 2.588 178.718 176.117 0.022 0.000 1.100 376 I CA 1.868 63.181 61.300 0.021 0.000 1.374 376 I CB -0.318 37.700 38.000 0.029 0.000 1.057 376 I HN 0.401 nan 8.210 nan 0.000 0.413 377 K N 1.023 121.445 120.400 0.037 0.000 2.032 377 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 377 K C 1.629 178.256 176.600 0.046 0.000 1.048 377 K CA 2.089 58.402 56.287 0.043 0.000 0.927 377 K CB -0.073 32.456 32.500 0.049 0.000 0.712 377 K HN 0.261 nan 8.250 nan 0.000 0.441 378 D N 0.482 120.908 120.400 0.043 0.000 2.084 378 D HA -0.119 4.521 4.640 -0.000 0.000 0.196 378 D C 1.874 178.196 176.300 0.038 0.000 0.985 378 D CA 1.421 55.446 54.000 0.041 0.000 0.826 378 D CB -0.458 40.365 40.800 0.039 0.000 0.978 378 D HN 0.340 nan 8.370 nan 0.000 0.456 379 A N 0.787 123.622 122.820 0.026 0.000 1.986 379 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 379 A C 2.356 179.941 177.584 0.002 0.000 1.171 379 A CA 0.998 53.043 52.037 0.013 0.000 0.640 379 A CB -0.826 18.175 19.000 0.001 0.000 0.811 379 A HN 0.218 nan 8.150 nan 0.000 0.451 380 L N -1.422 119.802 121.223 0.002 0.000 2.156 380 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 380 L C 1.530 178.499 176.870 0.166 0.000 1.095 380 L CA 0.747 55.586 54.840 -0.002 0.000 0.770 380 L CB -0.171 41.898 42.059 0.018 0.000 0.914 380 L HN 0.394 nan 8.230 nan 0.000 0.439 381 A N 0.255 123.149 122.820 0.122 0.000 2.801 381 A HA 0.732 5.052 4.320 -0.000 0.000 0.344 381 A C -0.385 177.250 177.584 0.084 0.000 1.322 381 A CA 0.128 52.239 52.037 0.124 0.000 0.913 381 A CB 0.042 19.098 19.000 0.093 0.000 1.140 381 A HN 0.178 nan 8.150 nan 0.000 0.487 382 A N 1.223 124.098 122.820 0.091 0.000 2.272 382 A HA 0.602 4.922 4.320 -0.000 0.000 0.286 382 A C -0.426 177.196 177.584 0.063 0.000 0.977 382 A CA 0.128 52.203 52.037 0.062 0.000 0.822 382 A CB -0.268 18.760 19.000 0.046 0.000 0.955 382 A HN 2.082 nan 8.150 nan 0.000 0.349 383 T N 0.000 114.585 114.554 0.052 0.000 3.816 383 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 383 T CA 0.000 62.128 62.100 0.047 0.000 1.349 383 T CB 0.000 68.903 68.868 0.058 0.000 0.612 383 T HN 0.000 nan 8.240 nan 0.000 0.658